smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000173336414 230924024 /nfs/dbraw/zinc/92/40/24/230924024.db2.gz RFWSPKYGAONPDE-PWSUYJOCSA-N 1 0 343.405 1.399 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000265265977 282188061 /nfs/dbraw/zinc/18/80/61/282188061.db2.gz RYPGRYDVOSXYJU-SNVBAGLBSA-N 1 0 347.824 1.963 20 5 EDBDRO CC[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000181683455 529615101 /nfs/dbraw/zinc/61/51/01/529615101.db2.gz VOGHOORKJHISRD-WFASDCNBSA-N 1 0 341.433 1.917 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178100363 232082246 /nfs/dbraw/zinc/08/22/46/232082246.db2.gz CQIIKAJESJYBCB-AWEZNQCLSA-N 1 0 348.403 1.187 20 5 EDBDRO CCOc1cc(C(=O)N[C@@H]2CC[N@H+](CC)C2)c([N+](=O)[O-])cc1OC ZINC000412853309 304042181 /nfs/dbraw/zinc/04/21/81/304042181.db2.gz SZUNLSVLMAALHC-LLVKDONJSA-N 1 0 337.376 1.826 20 5 EDBDRO C[NH+]1CCN(CCNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000074125231 138225266 /nfs/dbraw/zinc/22/52/66/138225266.db2.gz BZCPBGGKVNSOPO-UHFFFAOYSA-N 1 0 349.435 1.151 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C[NH2+]1 ZINC000086468903 138271201 /nfs/dbraw/zinc/27/12/01/138271201.db2.gz PAJJWHRAZRLONZ-RKDXNWHRSA-N 1 0 333.797 1.619 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000079264368 138261049 /nfs/dbraw/zinc/26/10/49/138261049.db2.gz PLKFUMQVXMCFES-UHFFFAOYSA-N 1 0 343.405 1.318 20 5 EDBDRO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[N@H+](C)C1 ZINC000413500983 304064031 /nfs/dbraw/zinc/06/40/31/304064031.db2.gz OZPUGUDUDYMFHC-GFCCVEGCSA-N 1 0 344.371 1.684 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000563845268 306349370 /nfs/dbraw/zinc/34/93/70/306349370.db2.gz CCXADLLYLDIHEB-GFCCVEGCSA-N 1 0 348.403 1.696 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000070447481 202334841 /nfs/dbraw/zinc/33/48/41/202334841.db2.gz UJBJNJDJUMXDQT-NSHDSACASA-N 1 0 335.813 1.818 20 5 EDBDRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000564926898 306370090 /nfs/dbraw/zinc/37/00/90/306370090.db2.gz RCJFGESGTGUVOM-CQSZACIVSA-N 1 0 338.751 1.422 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000564947052 306370984 /nfs/dbraw/zinc/37/09/84/306370984.db2.gz MFDIWHDGXGOXFP-LLVKDONJSA-N 1 0 335.360 1.438 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000565160227 306376671 /nfs/dbraw/zinc/37/66/71/306376671.db2.gz BRMHGLWHONFHDH-ZIAGYGMSSA-N 1 0 337.376 1.681 20 5 EDBDRO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000565646050 306388794 /nfs/dbraw/zinc/38/87/94/306388794.db2.gz MAJQLBIQTWFDCY-JTQLQIEISA-N 1 0 340.405 1.138 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000565889993 306394008 /nfs/dbraw/zinc/39/40/08/306394008.db2.gz NMISTNYVSVKGKP-LLVKDONJSA-N 1 0 329.422 1.776 20 5 EDBDRO C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC000072722397 203243933 /nfs/dbraw/zinc/24/39/33/203243933.db2.gz OEYYSCDGVFBOLM-UHFFFAOYSA-N 1 0 332.404 1.728 20 5 EDBDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000103284722 204071969 /nfs/dbraw/zinc/07/19/69/204071969.db2.gz MTWYCKPLTXYKFY-QWRGUYRKSA-N 1 0 335.360 1.547 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000195328632 139014452 /nfs/dbraw/zinc/01/44/52/139014452.db2.gz ZVANYNJUDAGWSU-UHFFFAOYSA-N 1 0 346.431 1.757 20 5 EDBDRO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000215993836 139020495 /nfs/dbraw/zinc/02/04/95/139020495.db2.gz DRNYGMHINZYBCW-IUCAKERBSA-N 1 0 333.797 1.606 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@H](C[NH3+])CC(C)C)c([N+](=O)[O-])c1 ZINC000237239567 139045526 /nfs/dbraw/zinc/04/55/26/139045526.db2.gz CDIKHWFVCIPTOC-JTQLQIEISA-N 1 0 331.394 1.255 20 5 EDBDRO C[NH2+]CC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000237361959 139049209 /nfs/dbraw/zinc/04/92/09/139049209.db2.gz MHRVKFHZGRGIPN-UHFFFAOYSA-N 1 0 327.406 1.523 20 5 EDBDRO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1n1ccnc1 ZINC000129487919 205198984 /nfs/dbraw/zinc/19/89/84/205198984.db2.gz WUDODYDOEHJYLK-HIFRSBDPSA-N 1 0 331.376 1.536 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000133951830 205385393 /nfs/dbraw/zinc/38/53/93/205385393.db2.gz DFBUAOVJJJTABQ-CYBMUJFWSA-N 1 0 348.403 1.642 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000237572179 139054455 /nfs/dbraw/zinc/05/44/55/139054455.db2.gz RISUJVPQVWWYOM-GFCCVEGCSA-N 1 0 327.406 1.571 20 5 EDBDRO O=C(NCCCN1CC[NH2+]CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000237725410 139058719 /nfs/dbraw/zinc/05/87/19/139058719.db2.gz PFEOYEKMAUOHEX-UHFFFAOYSA-N 1 0 326.784 1.273 20 5 EDBDRO CCOc1ccc([C@H](C)[NH2+]CCCNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000152708001 205778709 /nfs/dbraw/zinc/77/87/09/205778709.db2.gz VCOOXOJOCGZYHH-NSHDSACASA-N 1 0 345.421 1.583 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC1CCOCC1 ZINC000156036877 206051095 /nfs/dbraw/zinc/05/10/95/206051095.db2.gz AIJOIAKNXJJMDP-UHFFFAOYSA-N 1 0 337.376 1.900 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000156454108 206077911 /nfs/dbraw/zinc/07/79/11/206077911.db2.gz CSXYQAHMFOSXHA-QWRGUYRKSA-N 1 0 344.371 1.636 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000261944990 291601549 /nfs/dbraw/zinc/60/15/49/291601549.db2.gz MARONIVJCAWKOR-NWDGAFQWSA-N 1 0 327.406 1.570 20 5 EDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)CCN1C(=O)c2ccccc2C1=O ZINC000158947367 206218441 /nfs/dbraw/zinc/21/84/41/206218441.db2.gz ANFGNGJAQWTBFA-UHFFFAOYSA-N 1 0 343.343 1.019 20 5 EDBDRO COCC[NH2+]C1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000568150372 306473261 /nfs/dbraw/zinc/47/32/61/306473261.db2.gz FJMJHHMOZKFFQJ-UHFFFAOYSA-N 1 0 325.340 1.575 20 5 EDBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247474152 139149728 /nfs/dbraw/zinc/14/97/28/139149728.db2.gz RYYUQTPEMRGFQY-KBMXLJTQSA-N 1 0 335.404 1.503 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248185172 139159380 /nfs/dbraw/zinc/15/93/80/139159380.db2.gz XEXIZMDLJAJVFM-XJKSGUPXSA-N 1 0 333.388 1.916 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000415392091 304212438 /nfs/dbraw/zinc/21/24/38/304212438.db2.gz XJHZSAXWOLYEIJ-KGLIPLIRSA-N 1 0 341.371 1.618 20 5 EDBDRO CCCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1CC)[C@@H]1CC[NH2+]C1 ZINC000415392282 304212455 /nfs/dbraw/zinc/21/24/55/304212455.db2.gz NCALWCYKBUDFGU-CQSZACIVSA-N 1 0 348.403 1.696 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)C[C@H]12 ZINC000248641118 139169554 /nfs/dbraw/zinc/16/95/54/139169554.db2.gz RHNDIZXGWGGUBL-MELADBBJSA-N 1 0 341.371 1.590 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000249395373 139192529 /nfs/dbraw/zinc/19/25/29/139192529.db2.gz APEDWULJCZVFRY-KGLIPLIRSA-N 1 0 335.404 1.441 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000172078032 206785522 /nfs/dbraw/zinc/78/55/22/206785522.db2.gz BSSQWNCRFIAYEI-NSHDSACASA-N 1 0 343.405 1.176 20 5 EDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261642894 139213704 /nfs/dbraw/zinc/21/37/04/139213704.db2.gz AUNUKHJCXHLLAR-OKILXGFUSA-N 1 0 332.404 1.855 20 5 EDBDRO [NH3+]C1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000261661272 139215407 /nfs/dbraw/zinc/21/54/07/139215407.db2.gz KMSUEDBVBHEDRJ-UHFFFAOYSA-N 1 0 327.406 1.925 20 5 EDBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000261735693 139221890 /nfs/dbraw/zinc/22/18/90/139221890.db2.gz NFPMJCKUELHQDK-LLVKDONJSA-N 1 0 340.811 1.535 20 5 EDBDRO [NH3+]CCN(CCc1ccccc1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000261782964 139225462 /nfs/dbraw/zinc/22/54/62/139225462.db2.gz SRRRUFZINQZTPJ-UHFFFAOYSA-N 1 0 331.376 1.211 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000261931545 139238130 /nfs/dbraw/zinc/23/81/30/139238130.db2.gz JRKCQHWIHBQLHR-GFCCVEGCSA-N 1 0 327.406 1.795 20 5 EDBDRO Cc1c(-c2nc(C3([NH3+])CCC3)no2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000261988425 139242198 /nfs/dbraw/zinc/24/21/98/139242198.db2.gz SAOKZAQZTHMCAX-UHFFFAOYSA-N 1 0 341.331 1.872 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000415560369 251012805 /nfs/dbraw/zinc/01/28/05/251012805.db2.gz LLGRMDPQEIMWOI-WDEREUQCSA-N 1 0 334.376 1.305 20 5 EDBDRO CC[NH+](CC)CCS(=O)(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000416461432 251070996 /nfs/dbraw/zinc/07/09/96/251070996.db2.gz ZCFFAQVVRBZXTR-UHFFFAOYSA-N 1 0 342.421 1.020 20 5 EDBDRO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000262275013 139265802 /nfs/dbraw/zinc/26/58/02/139265802.db2.gz TVCUFELUFMWSIB-IIDMSEBBSA-N 1 0 347.415 1.786 20 5 EDBDRO C[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000262336897 139271217 /nfs/dbraw/zinc/27/12/17/139271217.db2.gz TUGRPYDECOOPEH-UWVGGRQHSA-N 1 0 331.369 1.400 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000262346549 139272115 /nfs/dbraw/zinc/27/21/15/139272115.db2.gz UVGZAHKKNIKPEL-AWEZNQCLSA-N 1 0 327.406 1.571 20 5 EDBDRO CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@H]1CCC[NH2+]CC1 ZINC000262379253 139274667 /nfs/dbraw/zinc/27/46/67/139274667.db2.gz MSQRWWJJNOFOMX-ZDUSSCGKSA-N 1 0 343.387 1.995 20 5 EDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262382840 139275017 /nfs/dbraw/zinc/27/50/17/139275017.db2.gz NCWWWOFXSYCFGW-NEPJUHHUSA-N 1 0 329.360 1.651 20 5 EDBDRO CO[C@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000417774597 251264981 /nfs/dbraw/zinc/26/49/81/251264981.db2.gz ZPKQJYUZJFRMJY-KGLIPLIRSA-N 1 0 336.392 1.285 20 5 EDBDRO O=[N+]([O-])c1ccn(CCN2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000176200485 207200125 /nfs/dbraw/zinc/20/01/25/207200125.db2.gz MBWFVKDJQGRWND-UHFFFAOYSA-N 1 0 329.404 1.652 20 5 EDBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000176249638 207207150 /nfs/dbraw/zinc/20/71/50/207207150.db2.gz LDJJVDDFNNIKFE-HNNXBMFYSA-N 1 0 329.404 1.998 20 5 EDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H](CC[NH3+])C(F)F ZINC000418727859 251399981 /nfs/dbraw/zinc/39/99/81/251399981.db2.gz FMEJQGKGXHIDEJ-LLVKDONJSA-N 1 0 330.335 1.761 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000262547929 139285823 /nfs/dbraw/zinc/28/58/23/139285823.db2.gz SAAFMQUIIIPEQN-AAEUAGOBSA-N 1 0 325.390 1.276 20 5 EDBDRO CN(CC(C)(C)C[NH3+])C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000262589797 139288667 /nfs/dbraw/zinc/28/86/67/139288667.db2.gz RMCNQYHLGGOWOQ-UHFFFAOYSA-N 1 0 331.376 1.837 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415584724 304232777 /nfs/dbraw/zinc/23/27/77/304232777.db2.gz AONXAQXHTFKONY-QGZVFWFLSA-N 1 0 346.387 1.362 20 5 EDBDRO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCCC[C@@H]1CCC[NH2+]1 ZINC000420285580 251665450 /nfs/dbraw/zinc/66/54/50/251665450.db2.gz ZOHKSIPWPSHEQI-JTQLQIEISA-N 1 0 328.394 1.186 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000420413318 251711359 /nfs/dbraw/zinc/71/13/59/251711359.db2.gz DWFAEHAFEPHHKX-GFCCVEGCSA-N 1 0 327.406 1.056 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC1CC[NH+](C2CCCC2)CC1 ZINC000177449284 207338514 /nfs/dbraw/zinc/33/85/14/207338514.db2.gz ASAQUZFIMBMWOV-UHFFFAOYSA-N 1 0 335.408 1.705 20 5 EDBDRO COc1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000262750089 139301043 /nfs/dbraw/zinc/30/10/43/139301043.db2.gz MVVVELAJVUBSNU-MNOVXSKESA-N 1 0 341.389 1.118 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424315971 252196169 /nfs/dbraw/zinc/19/61/69/252196169.db2.gz CORFWZOVLPTFHD-CHWSQXEVSA-N 1 0 348.403 1.770 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000415622762 304240978 /nfs/dbraw/zinc/24/09/78/304240978.db2.gz DICUVZFUOCBOJD-GFCCVEGCSA-N 1 0 334.376 1.354 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415769501 304267275 /nfs/dbraw/zinc/26/72/75/304267275.db2.gz PPLMBELYQCJOAO-OLZOCXBDSA-N 1 0 346.387 1.361 20 5 EDBDRO CC(C)[C@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000488014225 255041165 /nfs/dbraw/zinc/04/11/65/255041165.db2.gz YIGPHWCDALBZJX-NVXWUHKLSA-N 1 0 337.420 1.607 20 5 EDBDRO CC(C)C1CC([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000488415323 255043520 /nfs/dbraw/zinc/04/35/20/255043520.db2.gz GXHDNEYUUZTTBK-UHFFFAOYSA-N 1 0 341.433 1.897 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492592938 255181760 /nfs/dbraw/zinc/18/17/60/255181760.db2.gz JHWZOMPSCFKYRV-GQCTYLIASA-N 1 0 325.340 1.178 20 5 EDBDRO C[C@H]1[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000494037636 255233155 /nfs/dbraw/zinc/23/31/55/255233155.db2.gz KNCNYJNZXFEWTK-GXTWGEPZSA-N 1 0 343.387 1.721 20 5 EDBDRO Cn1cc([C@@H]2CN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)C[C@H]2[NH3+])cn1 ZINC000493259766 255200054 /nfs/dbraw/zinc/20/00/54/255200054.db2.gz BHDGDJYLRTXKRN-LGZALOBFSA-N 1 0 341.371 1.295 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000264562607 139415613 /nfs/dbraw/zinc/41/56/13/139415613.db2.gz QWRXLDKNYBJCHI-LLVKDONJSA-N 1 0 327.768 1.699 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000347363543 533407029 /nfs/dbraw/zinc/40/70/29/533407029.db2.gz RSFCRXXWOMRDCS-SPQRHKFCSA-N 1 0 349.431 1.623 20 5 EDBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000265646719 139493784 /nfs/dbraw/zinc/49/37/84/139493784.db2.gz XUZAFMWAQJMCEE-UHFFFAOYSA-N 1 0 325.340 1.311 20 5 EDBDRO C[NH+]1CCN(CCNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000266121835 139515281 /nfs/dbraw/zinc/51/52/81/139515281.db2.gz ACBIUJIUHFOZEG-UHFFFAOYSA-N 1 0 349.391 1.211 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1C ZINC000262739925 291994637 /nfs/dbraw/zinc/99/46/37/291994637.db2.gz BQYUCZZWQJFHCD-GXFFZTMASA-N 1 0 327.406 1.488 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1C ZINC000193409799 291994792 /nfs/dbraw/zinc/99/47/92/291994792.db2.gz YGJJEQKFJVKODE-TVQRCGJNSA-N 1 0 327.406 1.488 20 5 EDBDRO CN(C)C(=O)CC[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000271182112 140252421 /nfs/dbraw/zinc/25/24/21/140252421.db2.gz KILKRMIFOCTZNJ-FNORWQNLSA-N 1 0 346.431 1.704 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000271357009 140284394 /nfs/dbraw/zinc/28/43/94/140284394.db2.gz FSQPNBKUJRSHMB-TZMCWYRMSA-N 1 0 343.387 1.721 20 5 EDBDRO COC(=O)CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000271783279 140349469 /nfs/dbraw/zinc/34/94/69/140349469.db2.gz SOSIMOWARVQRTH-GFCCVEGCSA-N 1 0 339.367 1.803 20 5 EDBDRO CS[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1[NH+](C)C ZINC000331527745 141043469 /nfs/dbraw/zinc/04/34/69/141043469.db2.gz QOARMHUYHUCDPC-UONOGXRCSA-N 1 0 335.433 1.949 20 5 EDBDRO C[C@@H]1CC[C@H]([N@H+](CCO)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000331590642 141053101 /nfs/dbraw/zinc/05/31/01/141053101.db2.gz BDSRGQSTBSOIDH-HIFRSBDPSA-N 1 0 347.415 1.967 20 5 EDBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332678845 141227910 /nfs/dbraw/zinc/22/79/10/141227910.db2.gz UEEMUSWNUOMBSC-SNVBAGLBSA-N 1 0 325.315 1.722 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1C ZINC000332680262 141228161 /nfs/dbraw/zinc/22/81/61/141228161.db2.gz SDKNNAJETXHXAI-CHWSQXEVSA-N 1 0 343.387 1.993 20 5 EDBDRO CO[C@@H]1C[C@H](CN(C)CC(=O)Nc2ccccc2[N+](=O)[O-])[N@H+](C)C1 ZINC000345146101 143057268 /nfs/dbraw/zinc/05/72/68/143057268.db2.gz OGHYIOSTAXWRRI-CHWSQXEVSA-N 1 0 336.392 1.184 20 5 EDBDRO CN1C(=O)N[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000345675302 143120098 /nfs/dbraw/zinc/12/00/98/143120098.db2.gz MFRVYGNHIWVNGS-CHWSQXEVSA-N 1 0 347.375 1.021 20 5 EDBDRO C[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C(N)=O ZINC000346639509 143225067 /nfs/dbraw/zinc/22/50/67/143225067.db2.gz DMQTZYSNNVTCDI-HZMBPMFUSA-N 1 0 330.344 1.803 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347412973 143318256 /nfs/dbraw/zinc/31/82/56/143318256.db2.gz KNLLJXZIOSJBDV-LBPRGKRZSA-N 1 0 330.392 1.586 20 5 EDBDRO CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000347698276 143351158 /nfs/dbraw/zinc/35/11/58/143351158.db2.gz DJJUIQQMXONIQO-RBSFLKMASA-N 1 0 340.424 1.726 20 5 EDBDRO CCNc1ccc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000347776002 143361842 /nfs/dbraw/zinc/36/18/42/143361842.db2.gz QFXFRCIJYQKXOL-HOTGVXAUSA-N 1 0 348.403 1.572 20 5 EDBDRO CC[C@@H]1CC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000348066321 143396981 /nfs/dbraw/zinc/39/69/81/143396981.db2.gz RXAFSRKVQRBTAU-BXUZGUMPSA-N 1 0 327.406 1.651 20 5 EDBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])Cn1cccn1 ZINC000572834670 306600280 /nfs/dbraw/zinc/60/02/80/306600280.db2.gz VPHSMAPUTSTTOJ-UONOGXRCSA-N 1 0 334.376 1.457 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000422556350 292180091 /nfs/dbraw/zinc/18/00/91/292180091.db2.gz SSSWSOYALVEGAC-UPJWGTAASA-N 1 0 341.433 1.897 20 5 EDBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[C@H]1O ZINC000352658161 149105089 /nfs/dbraw/zinc/10/50/89/149105089.db2.gz DFCRZJZUDVOJCX-GXTWGEPZSA-N 1 0 335.360 1.738 20 5 EDBDRO C[NH2+][C@@H](C)CNC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000416899900 304354560 /nfs/dbraw/zinc/35/45/60/304354560.db2.gz HHMRSUQRKJUUNW-JTQLQIEISA-N 1 0 340.380 1.062 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CSC[C@H]2C)c([N+](=O)[O-])c1 ZINC000352819185 149180044 /nfs/dbraw/zinc/18/00/44/149180044.db2.gz VVRCAVQMHPQJAV-BXKDBHETSA-N 1 0 325.390 1.883 20 5 EDBDRO COC(=O)CC1([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000353000829 149247616 /nfs/dbraw/zinc/24/76/16/149247616.db2.gz NJPRMRNDYZRIQR-UHFFFAOYSA-N 1 0 335.360 1.633 20 5 EDBDRO CC(C)c1ccc(C[NH2+]CCCn2cc(CO)nn2)cc1[N+](=O)[O-] ZINC000353224379 149330408 /nfs/dbraw/zinc/33/04/08/149330408.db2.gz VCHQNOUGEZTMKQ-UHFFFAOYSA-N 1 0 333.392 1.982 20 5 EDBDRO CCOc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000353380266 149386638 /nfs/dbraw/zinc/38/66/38/149386638.db2.gz YNUHJJHFZKJHDU-NWDGAFQWSA-N 1 0 349.387 1.684 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000354921761 150033257 /nfs/dbraw/zinc/03/32/57/150033257.db2.gz AJIFMDRWMOXKHC-BXUZGUMPSA-N 1 0 338.360 1.349 20 5 EDBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000355245336 150182719 /nfs/dbraw/zinc/18/27/19/150182719.db2.gz OJNVJRMALJRNRZ-UHFFFAOYSA-N 1 0 338.408 1.729 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000355750865 150385196 /nfs/dbraw/zinc/38/51/96/150385196.db2.gz JREUHIOSXRJPMZ-INIZCTEOSA-N 1 0 331.376 1.377 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000357871212 151179277 /nfs/dbraw/zinc/17/92/77/151179277.db2.gz ZFAOSEVGZCMTBT-UHFFFAOYSA-N 1 0 333.388 1.966 20 5 EDBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000358061527 151252805 /nfs/dbraw/zinc/25/28/05/151252805.db2.gz GRVAWQFKTOSPAE-CYBMUJFWSA-N 1 0 347.293 1.410 20 5 EDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000358307428 151332717 /nfs/dbraw/zinc/33/27/17/151332717.db2.gz QKCVQQPEBMBASF-TZMCWYRMSA-N 1 0 342.417 1.319 20 5 EDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000370079629 155314744 /nfs/dbraw/zinc/31/47/44/155314744.db2.gz FPENMLCAZSYTFV-IOASZLSFSA-N 1 0 332.404 1.948 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000360467661 152057017 /nfs/dbraw/zinc/05/70/17/152057017.db2.gz GCRBTVXMXGYYNA-OLZOCXBDSA-N 1 0 341.433 1.973 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2CC[N@@H+](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000360528289 152082042 /nfs/dbraw/zinc/08/20/42/152082042.db2.gz MQJCKNMJGFHIPR-CYBMUJFWSA-N 1 0 348.403 1.186 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000360655642 152141068 /nfs/dbraw/zinc/14/10/68/152141068.db2.gz ZBALNCNFANLWKN-NWDGAFQWSA-N 1 0 327.406 1.664 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000360663627 152145162 /nfs/dbraw/zinc/14/51/62/152145162.db2.gz DUHMPHZNLZTUNZ-QWRGUYRKSA-N 1 0 343.405 1.364 20 5 EDBDRO C[C@@H](NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000417140114 304376904 /nfs/dbraw/zinc/37/69/04/304376904.db2.gz PJZZDOWMKJESCT-CJNGLKHVSA-N 1 0 347.419 1.345 20 5 EDBDRO Cc1c([C@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cnn1C ZINC000360847047 152228223 /nfs/dbraw/zinc/22/82/23/152228223.db2.gz GPJSSPLHTOOWKF-UKRRQHHQSA-N 1 0 334.380 1.031 20 5 EDBDRO COc1cc(C(=O)N[C@H]2C[C@H]2C2CC[NH2+]CC2)cc([N+](=O)[O-])c1OC ZINC000361077882 152296270 /nfs/dbraw/zinc/29/62/70/152296270.db2.gz DGURCGZIMKEHMO-STQMWFEESA-N 1 0 349.387 1.730 20 5 EDBDRO [NH2+]=C(NO)[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000363781253 153054656 /nfs/dbraw/zinc/05/46/56/153054656.db2.gz ROMGTZZMPMCHNB-ZDUSSCGKSA-N 1 0 336.348 1.772 20 5 EDBDRO Cc1cc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)ncc1[N+](=O)[O-] ZINC000363923870 153097642 /nfs/dbraw/zinc/09/76/42/153097642.db2.gz STWQDUDEWRBTEF-OAHLLOKOSA-N 1 0 333.436 1.903 20 5 EDBDRO COc1ccc(C(=O)N[C@@H]2CCc3nc(C)cn3C2)cc1[N+](=O)[O-] ZINC000364111770 153147550 /nfs/dbraw/zinc/14/75/50/153147550.db2.gz PXMGWCGWZJGJDP-GFCCVEGCSA-N 1 0 330.344 1.853 20 5 EDBDRO COc1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000417195663 304383377 /nfs/dbraw/zinc/38/33/77/304383377.db2.gz ODZZDIFAOTZYKA-OLZOCXBDSA-N 1 0 336.392 1.920 20 5 EDBDRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000364861252 153353475 /nfs/dbraw/zinc/35/34/75/153353475.db2.gz ZAFHQOIBXWQWGM-LSDHHAIUSA-N 1 0 339.417 1.842 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000417202413 304384323 /nfs/dbraw/zinc/38/43/23/304384323.db2.gz XORTYYNLEZJPNY-AAEUAGOBSA-N 1 0 336.392 1.872 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1CC[NH3+] ZINC000261846085 292294075 /nfs/dbraw/zinc/29/40/75/292294075.db2.gz DANIDKDEVFSBGE-LBPRGKRZSA-N 1 0 327.406 1.795 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1OC ZINC000369341844 154983806 /nfs/dbraw/zinc/98/38/06/154983806.db2.gz GBIWZLHHOOJBLW-AAEUAGOBSA-N 1 0 349.387 1.826 20 5 EDBDRO CN(C[C@@H]1CCc2nccn2C1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000369500441 155061106 /nfs/dbraw/zinc/06/11/06/155061106.db2.gz LSAHGPUDDKHZBF-NSHDSACASA-N 1 0 329.360 1.708 20 5 EDBDRO O=C(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000371667587 156054430 /nfs/dbraw/zinc/05/44/30/156054430.db2.gz HJPYAVYQEQDOOQ-IKGGRYGDSA-N 1 0 347.415 1.213 20 5 EDBDRO O=C([C@@H]1CCCCC[NH2+]1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000372411101 156377037 /nfs/dbraw/zinc/37/70/37/156377037.db2.gz DSKBAWFKFHAROP-OCCSQVGLSA-N 1 0 333.392 1.535 20 5 EDBDRO O=C(C[NH2+][C@H]1CCO[C@@H]1C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000372806087 156542476 /nfs/dbraw/zinc/54/24/76/156542476.db2.gz PBOJIALUKPBQSH-WMLDXEAASA-N 1 0 331.372 1.641 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000373953369 157081351 /nfs/dbraw/zinc/08/13/51/157081351.db2.gz FJFSVWSAFYPIPS-LBPRGKRZSA-N 1 0 333.392 1.543 20 5 EDBDRO CN(C)c1noc([C@@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000374548999 157325369 /nfs/dbraw/zinc/32/53/69/157325369.db2.gz CVVKDPFXVMQNLB-LLVKDONJSA-N 1 0 335.368 1.120 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000575399460 306669138 /nfs/dbraw/zinc/66/91/38/306669138.db2.gz APACKRFOLXPUCM-QWRGUYRKSA-N 1 0 335.360 1.565 20 5 EDBDRO C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1cccc([N+](=O)[O-])c1 ZINC000375507474 157591525 /nfs/dbraw/zinc/59/15/25/157591525.db2.gz WSQXDBZBWBKTJK-JDSLSITLSA-N 1 0 343.387 1.999 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC([C@@H]3CCCOC3)CC2)c1 ZINC000378592372 158215625 /nfs/dbraw/zinc/21/56/25/158215625.db2.gz JSUYUVISQQHBII-GDBMZVCRSA-N 1 0 338.408 1.291 20 5 EDBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C[C@H](C)O ZINC000352203391 162048964 /nfs/dbraw/zinc/04/89/64/162048964.db2.gz RJXAOGFHZCTFLD-NSHDSACASA-N 1 0 325.365 1.635 20 5 EDBDRO CC[NH+](CC)CCS(=O)(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000352327084 162119507 /nfs/dbraw/zinc/11/95/07/162119507.db2.gz UCXWISJJVFZNAA-UHFFFAOYSA-N 1 0 344.437 1.268 20 5 EDBDRO CCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000352491311 162209745 /nfs/dbraw/zinc/20/97/45/162209745.db2.gz PUJJMYWBDCHVGQ-OAHLLOKOSA-N 1 0 341.433 1.889 20 5 EDBDRO O=[N+]([O-])c1ccc2oc(CN3CCN([C@@H]4CC[NH2+]C4)CC3)nc2c1 ZINC000352495112 162211110 /nfs/dbraw/zinc/21/11/10/162211110.db2.gz IOQXWUXNROSFCV-CYBMUJFWSA-N 1 0 331.376 1.216 20 5 EDBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000352551553 162247213 /nfs/dbraw/zinc/24/72/13/162247213.db2.gz OIMCMUYFEWKOHR-GFCCVEGCSA-N 1 0 329.422 1.994 20 5 EDBDRO COc1ccc(OCCN2CCCC[C@@H]2C(=[NH2+])NO)c([N+](=O)[O-])c1 ZINC000364398282 162325395 /nfs/dbraw/zinc/32/53/95/162325395.db2.gz RWGKASGOMBEGHI-GFCCVEGCSA-N 1 0 338.364 1.793 20 5 EDBDRO COc1cc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000366549281 162392541 /nfs/dbraw/zinc/39/25/41/162392541.db2.gz DUTWDMBFYGFEIM-CQSZACIVSA-N 1 0 349.387 1.587 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCCN1CC[NH2+]CC1 ZINC000418290657 304475472 /nfs/dbraw/zinc/47/54/72/304475472.db2.gz SJQHPFWOMTZUKP-UHFFFAOYSA-N 1 0 335.408 1.032 20 5 EDBDRO C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000125400400 287406475 /nfs/dbraw/zinc/40/64/75/287406475.db2.gz DNFKGRAEDCHNQY-GFCCVEGCSA-N 1 0 343.449 1.991 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000123499472 222288288 /nfs/dbraw/zinc/28/82/88/222288288.db2.gz XTKGEKDGKBITHS-NSHDSACASA-N 1 0 347.462 1.975 20 5 EDBDRO COC(=O)COc1ccc(CN2C[C@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000262020781 273017581 /nfs/dbraw/zinc/01/75/81/273017581.db2.gz NEOXWIOSGSVCBZ-RYUDHWBXSA-N 1 0 337.376 1.329 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000273487947 268050820 /nfs/dbraw/zinc/05/08/20/268050820.db2.gz WCSAOQONNPMKFH-CYBMUJFWSA-N 1 0 341.433 1.664 20 5 EDBDRO CC1(C)COCCN1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273507724 268054461 /nfs/dbraw/zinc/05/44/61/268054461.db2.gz WLAMLHQEZJGKBF-UHFFFAOYSA-N 1 0 340.355 1.966 20 5 EDBDRO CN(CC1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000275405682 268337720 /nfs/dbraw/zinc/33/77/20/268337720.db2.gz FIVRIAZSRZFLJZ-UHFFFAOYSA-N 1 0 342.421 1.163 20 5 EDBDRO CN(C)c1cc(F)c(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000279257859 268806084 /nfs/dbraw/zinc/80/60/84/268806084.db2.gz UOZMGJFMAPKQST-LLVKDONJSA-N 1 0 338.383 1.966 20 5 EDBDRO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC[NH+]1CCCCCC1 ZINC000127711136 272925997 /nfs/dbraw/zinc/92/59/97/272925997.db2.gz XBSFAEOCWAKDDJ-UHFFFAOYSA-N 1 0 342.421 1.530 20 5 EDBDRO CC(C)n1nccc1C[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000280755635 273394462 /nfs/dbraw/zinc/39/44/62/273394462.db2.gz DCFCVLBYNOQUFZ-JKSUJKDBSA-N 1 0 334.376 1.556 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC(=O)NCC(F)F ZINC000280857619 273407303 /nfs/dbraw/zinc/40/73/03/273407303.db2.gz MZHSCTIERGMFGG-SECBINFHSA-N 1 0 344.318 1.283 20 5 EDBDRO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284014162 274047814 /nfs/dbraw/zinc/04/78/14/274047814.db2.gz ILJAXVVGVIOXPH-LBPRGKRZSA-N 1 0 349.435 1.380 20 5 EDBDRO CN1CCO[C@H]2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000284474273 274215202 /nfs/dbraw/zinc/21/52/02/274215202.db2.gz MBRVRIIIBSRBRE-STQMWFEESA-N 1 0 339.779 1.793 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]2C1 ZINC000284703966 274300666 /nfs/dbraw/zinc/30/06/66/274300666.db2.gz SVCIDBLYSFPQBX-GJZGRUSLSA-N 1 0 336.348 1.408 20 5 EDBDRO COc1cc(CN(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)c([N+](=O)[O-])cc1F ZINC000284751876 274318301 /nfs/dbraw/zinc/31/83/01/274318301.db2.gz FXBGXXIABVNZMS-STQMWFEESA-N 1 0 341.383 1.893 20 5 EDBDRO C[N@@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1Cc1ccccc1 ZINC000284938213 274394413 /nfs/dbraw/zinc/39/44/13/274394413.db2.gz YPANYOFIFZIIOW-MRXNPFEDSA-N 1 0 329.404 1.650 20 5 EDBDRO C[NH+](C)C1CCN(CCNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000263635755 287855704 /nfs/dbraw/zinc/85/57/04/287855704.db2.gz GPUKSQWTXJEBKR-FPLPWBNLSA-N 1 0 346.431 1.750 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000102184157 276130679 /nfs/dbraw/zinc/13/06/79/276130679.db2.gz OPVMYZHREOYZEA-UHFFFAOYSA-N 1 0 327.406 1.499 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CN(C)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000272949267 276170163 /nfs/dbraw/zinc/17/01/63/276170163.db2.gz XDRFOPMPKFTOMV-GFCCVEGCSA-N 1 0 342.421 1.163 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000332348354 277179534 /nfs/dbraw/zinc/17/95/34/277179534.db2.gz YWABBUVAGRXVTE-CHWSQXEVSA-N 1 0 339.779 1.793 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCC[C@H]1CCO ZINC000286310830 287979524 /nfs/dbraw/zinc/97/95/24/287979524.db2.gz WBJRKJBEMISHBC-AAEUAGOBSA-N 1 0 337.376 1.683 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000286310834 287979529 /nfs/dbraw/zinc/97/95/29/287979529.db2.gz WBJRKJBEMISHBC-DGCLKSJQSA-N 1 0 337.376 1.683 20 5 EDBDRO C[C@@H]1[C@@H]([NH3+])CCN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000420242600 279086370 /nfs/dbraw/zinc/08/63/70/279086370.db2.gz BUUMEPVJBCREEO-PWSUYJOCSA-N 1 0 329.360 1.485 20 5 EDBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000287387494 288226458 /nfs/dbraw/zinc/22/64/58/288226458.db2.gz INRUBMODZXAGCX-GXTWGEPZSA-N 1 0 343.387 1.958 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CC[C@H]([NH+]3CC=CC3)C2)c1[N+](=O)[O-] ZINC000287444524 288239776 /nfs/dbraw/zinc/23/97/76/288239776.db2.gz VJNMSOOVKVGLMO-LBPRGKRZSA-N 1 0 332.360 1.535 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCOCC[NH+](C)C)c1C ZINC000347170334 281015882 /nfs/dbraw/zinc/01/58/82/281015882.db2.gz FKCKVNKMINFTSD-UHFFFAOYSA-N 1 0 345.421 1.068 20 5 EDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000261605201 288504536 /nfs/dbraw/zinc/50/45/36/288504536.db2.gz AGHLGDQNDSSIOQ-MNOVXSKESA-N 1 0 342.421 1.019 20 5 EDBDRO C[N@@H+]1CC[C@@]2(CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C2)C1 ZINC000292337430 289319737 /nfs/dbraw/zinc/31/97/37/289319737.db2.gz PVRNCUQMIXRZGG-MRXNPFEDSA-N 1 0 329.360 1.776 20 5 EDBDRO C[C@H](CNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000292368693 289327626 /nfs/dbraw/zinc/32/76/26/289327626.db2.gz MBXMJROTHDOJJM-VXGBXAGGSA-N 1 0 336.392 1.027 20 5 EDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000419758302 304680963 /nfs/dbraw/zinc/68/09/63/304680963.db2.gz KCVWOMWPCAHSEU-AWEZNQCLSA-N 1 0 348.403 1.120 20 5 EDBDRO CN(CC(C)(C)C[NH3+])S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420469708 304762369 /nfs/dbraw/zinc/76/23/69/304762369.db2.gz ZFALLKPDLVIGAY-UHFFFAOYSA-N 1 0 329.422 1.384 20 5 EDBDRO C[C@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420473157 304763040 /nfs/dbraw/zinc/76/30/40/304763040.db2.gz DAXJDGOCLQXKPF-GXTWGEPZSA-N 1 0 341.433 1.384 20 5 EDBDRO CC1(C)OCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000294776515 303146059 /nfs/dbraw/zinc/14/60/59/303146059.db2.gz NMKHUKGLCYLWOL-ZDUSSCGKSA-N 1 0 343.405 1.030 20 5 EDBDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000295041454 303166141 /nfs/dbraw/zinc/16/61/41/303166141.db2.gz MRWJITVQJBFBBO-GXTWGEPZSA-N 1 0 343.449 1.833 20 5 EDBDRO C[C@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@@H+](C2CC2)C1 ZINC000295482092 303225063 /nfs/dbraw/zinc/22/50/63/303225063.db2.gz ZDAGFIMUYFYASF-LLVKDONJSA-N 1 0 347.371 1.880 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[C@H]([NH+](C)C)C1 ZINC000301143961 303662993 /nfs/dbraw/zinc/66/29/93/303662993.db2.gz DWHAWXSAYBBBLT-VIFPVBQESA-N 1 0 338.320 1.430 20 5 EDBDRO C[C@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000301840226 303698714 /nfs/dbraw/zinc/69/87/14/303698714.db2.gz XXFPXCZORGHMEI-SNVBAGLBSA-N 1 0 331.319 1.699 20 5 EDBDRO O=C([C@@H]1CCCCC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000325541615 303769613 /nfs/dbraw/zinc/76/96/13/303769613.db2.gz RPVCCEVTGGPHSW-AWEZNQCLSA-N 1 0 333.392 1.171 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NCC2([NH3+])CCCCC2)ccc1[N+](=O)[O-] ZINC000422707349 304879065 /nfs/dbraw/zinc/87/90/65/304879065.db2.gz WJEFJDRXFNJPIC-UHFFFAOYSA-N 1 0 348.403 1.411 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000427742409 304995859 /nfs/dbraw/zinc/99/58/59/304995859.db2.gz PERYFFLZJPCTII-HNNXBMFYSA-N 1 0 343.387 1.947 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CC1 ZINC000427985518 305003142 /nfs/dbraw/zinc/00/31/42/305003142.db2.gz UTHDGGVKCOCPKJ-LBPRGKRZSA-N 1 0 332.408 1.331 20 5 EDBDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000428773481 305017211 /nfs/dbraw/zinc/01/72/11/305017211.db2.gz RILNBZRLSXWOGE-QGZVFWFLSA-N 1 0 344.371 1.608 20 5 EDBDRO C[C@@](C[NH3+])(NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000429232251 305025947 /nfs/dbraw/zinc/02/59/47/305025947.db2.gz SXLVZAJRNARBGB-INIZCTEOSA-N 1 0 335.360 1.152 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2nn[nH]c2C1 ZINC000429303172 305028309 /nfs/dbraw/zinc/02/83/09/305028309.db2.gz BACKEHXTYASYCM-UHFFFAOYSA-N 1 0 346.347 1.108 20 5 EDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000429772219 305036583 /nfs/dbraw/zinc/03/65/83/305036583.db2.gz NSWKIYATKAFAEX-ZFWWWQNUSA-N 1 0 348.403 1.736 20 5 EDBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000430277993 305049374 /nfs/dbraw/zinc/04/93/74/305049374.db2.gz HDAXUBILURSVKC-INIZCTEOSA-N 1 0 335.360 1.419 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430645234 305060982 /nfs/dbraw/zinc/06/09/82/305060982.db2.gz AOWRYNAAPVJPEF-XJKSGUPXSA-N 1 0 332.404 1.632 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2C[C@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430927869 305068753 /nfs/dbraw/zinc/06/87/53/305068753.db2.gz JPRBTJOXGCJYRT-SRVKXCTJSA-N 1 0 336.392 1.613 20 5 EDBDRO Cn1cc(CN2CCO[C@@H](C[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435374433 305139381 /nfs/dbraw/zinc/13/93/81/305139381.db2.gz XHPFSBFHJKVUHK-HNNXBMFYSA-N 1 0 331.376 1.155 20 5 EDBDRO Cn1c(C(=O)N2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000437737372 305178913 /nfs/dbraw/zinc/17/89/13/305178913.db2.gz PAJGXMIWZCZRFT-BZPMIXESSA-N 1 0 336.392 1.257 20 5 EDBDRO COc1cc(C(=O)NCC[NH2+]C(C)(C)C)cc([N+](=O)[O-])c1OC ZINC000439494333 305198675 /nfs/dbraw/zinc/19/86/75/305198675.db2.gz JFBVIDJRKSNATH-UHFFFAOYSA-N 1 0 325.365 1.730 20 5 EDBDRO Cn1cc(C(=O)NCC[C@H]2CCC[NH2+]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000444263054 305244857 /nfs/dbraw/zinc/24/48/57/305244857.db2.gz FDRKFTATNFNITE-CYBMUJFWSA-N 1 0 343.387 1.867 20 5 EDBDRO C[C@H](O)C[N@H+](C)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000444365929 305247200 /nfs/dbraw/zinc/24/72/00/305247200.db2.gz PAQUJEPDNKHZKW-NSHDSACASA-N 1 0 339.367 1.651 20 5 EDBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000448917610 305304099 /nfs/dbraw/zinc/30/40/99/305304099.db2.gz LAUJFLHXNYLENX-AWEZNQCLSA-N 1 0 343.387 1.995 20 5 EDBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000449601737 305315239 /nfs/dbraw/zinc/31/52/39/305315239.db2.gz NTPZPVDYWMJCTE-HTQZYQBOSA-N 1 0 330.182 1.752 20 5 EDBDRO C[NH+](C)CCOCCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000450435364 305329731 /nfs/dbraw/zinc/32/97/31/305329731.db2.gz HVQDQWCVVGETSH-UHFFFAOYSA-N 1 0 349.309 1.922 20 5 EDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1 ZINC000451301658 305337467 /nfs/dbraw/zinc/33/74/67/305337467.db2.gz OCAXKCNAHDKEOJ-LXZKKBNFSA-N 1 0 336.388 1.835 20 5 EDBDRO CO[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000451497527 305349506 /nfs/dbraw/zinc/34/95/06/305349506.db2.gz MTKKTJRKPVWWFJ-HUUCEWRRSA-N 1 0 333.388 1.887 20 5 EDBDRO CNc1nc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000456046487 305450692 /nfs/dbraw/zinc/45/06/92/305450692.db2.gz GEPWNZDOXUNZTR-VXGBXAGGSA-N 1 0 333.392 1.730 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cn(C)cn1 ZINC000459653876 305522060 /nfs/dbraw/zinc/52/20/60/305522060.db2.gz DSDFXMLZCXWGRD-LBPRGKRZSA-N 1 0 331.376 1.878 20 5 EDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1 ZINC000516769119 305741448 /nfs/dbraw/zinc/74/14/48/305741448.db2.gz QUNDFIMMWZYTDH-CQSZACIVSA-N 1 0 348.380 1.919 20 5 EDBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000517756381 305756225 /nfs/dbraw/zinc/75/62/25/305756225.db2.gz HTTVDNIRGIIWBR-KBMXLJTQSA-N 1 0 335.404 1.297 20 5 EDBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000524061190 305813628 /nfs/dbraw/zinc/81/36/28/305813628.db2.gz ISJHOBWMUGENNN-LBPRGKRZSA-N 1 0 349.387 1.970 20 5 EDBDRO Cc1nccn1CCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000534219666 306004483 /nfs/dbraw/zinc/00/44/83/306004483.db2.gz IVTSRTRHCSWKBZ-UHFFFAOYSA-N 1 0 330.392 1.707 20 5 EDBDRO Cn1cc(C(C)(C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000547412763 306100137 /nfs/dbraw/zinc/10/01/37/306100137.db2.gz DNRJXWZGDPLWHA-CYBMUJFWSA-N 1 0 334.376 1.593 20 5 EDBDRO C[C@@H](CN1CCCC1=O)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548761134 306137031 /nfs/dbraw/zinc/13/70/31/306137031.db2.gz CVFHXQBWGYICIC-LBPRGKRZSA-N 1 0 334.376 1.524 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000552041338 306174325 /nfs/dbraw/zinc/17/43/25/306174325.db2.gz VIIMEPUKSRUTHM-UHFFFAOYSA-N 1 0 328.372 1.890 20 5 EDBDRO CN(C)C1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCCC1 ZINC000555903261 306207285 /nfs/dbraw/zinc/20/72/85/306207285.db2.gz HAJXSBIHZMBTSC-OAHLLOKOSA-N 1 0 339.440 1.396 20 5 EDBDRO COc1cc(C[NH2+]C[C@@H]2CCOC[C@@H]2OC)c([N+](=O)[O-])cc1O ZINC000449461913 447375550 /nfs/dbraw/zinc/37/55/50/447375550.db2.gz UJBPOLXZDMLGFM-BONVTDFDSA-N 1 0 326.349 1.450 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000045799682 441039365 /nfs/dbraw/zinc/03/93/65/441039365.db2.gz NFGCBJKGAIZSNF-UHFFFAOYSA-N 1 0 339.417 1.641 20 5 EDBDRO C[C@@H]1CCC[N@H+](CCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000080154207 441145789 /nfs/dbraw/zinc/14/57/89/441145789.db2.gz XKAQZZPGPXEBBC-LLVKDONJSA-N 1 0 342.421 1.386 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000102183679 441166189 /nfs/dbraw/zinc/16/61/89/441166189.db2.gz UECPKXBSTBNHHX-UHFFFAOYSA-N 1 0 327.406 1.666 20 5 EDBDRO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC000047270861 441172181 /nfs/dbraw/zinc/17/21/81/441172181.db2.gz CEAYOBHFPIPWRU-ZDUSSCGKSA-N 1 0 335.408 1.600 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000058176260 441156371 /nfs/dbraw/zinc/15/63/71/441156371.db2.gz PIDLBCFWQWHWTK-UHFFFAOYSA-N 1 0 327.406 1.618 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](CCC(F)(F)F)CC2CC2)c1 ZINC000084137691 441384557 /nfs/dbraw/zinc/38/45/57/441384557.db2.gz LRKLGFLMNATHMR-LBPRGKRZSA-N 1 0 336.314 1.817 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000108406159 441450798 /nfs/dbraw/zinc/45/07/98/441450798.db2.gz VQHGQEIPADGPDA-JTQLQIEISA-N 1 0 347.824 1.868 20 5 EDBDRO C[C@@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000088694839 441517509 /nfs/dbraw/zinc/51/75/09/441517509.db2.gz WGZFESZPIVBANT-BXUZGUMPSA-N 1 0 327.406 1.651 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC000075718546 441551256 /nfs/dbraw/zinc/55/12/56/441551256.db2.gz CMTIGEVTALJAEK-JSGCOSHPSA-N 1 0 334.351 1.781 20 5 EDBDRO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000032073077 441544861 /nfs/dbraw/zinc/54/48/61/441544861.db2.gz GXHMCKCFQLBZGP-NSHDSACASA-N 1 0 345.421 1.612 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NCC[NH2+]C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000075651238 441545482 /nfs/dbraw/zinc/54/54/82/441545482.db2.gz VBSOTSDRFVNYSM-UHFFFAOYSA-N 1 0 337.376 1.889 20 5 EDBDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000089519284 441557848 /nfs/dbraw/zinc/55/78/48/441557848.db2.gz QWJJGJUGSVOBHD-GFCCVEGCSA-N 1 0 327.406 1.589 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000032663105 441564115 /nfs/dbraw/zinc/56/41/15/441564115.db2.gz MBWYEVZUKZTLFH-GFCCVEGCSA-N 1 0 349.387 1.986 20 5 EDBDRO O=C(NCC[NH+]1CCCCCC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067150576 441610971 /nfs/dbraw/zinc/61/09/71/441610971.db2.gz ADHWHLVFYPBQTD-UHFFFAOYSA-N 1 0 349.387 1.972 20 5 EDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067151961 441611490 /nfs/dbraw/zinc/61/14/90/441611490.db2.gz BPEPLSKTZSWHAQ-LBPRGKRZSA-N 1 0 346.391 1.636 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000090551812 441633387 /nfs/dbraw/zinc/63/33/87/441633387.db2.gz IRTDUIPLTSLHID-QGZVFWFLSA-N 1 0 343.383 1.738 20 5 EDBDRO CC1(C2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)OCCO1 ZINC000090559385 441634174 /nfs/dbraw/zinc/63/41/74/441634174.db2.gz MNHGHLVTFCWUHN-UHFFFAOYSA-N 1 0 337.376 1.232 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000090564491 441635908 /nfs/dbraw/zinc/63/59/08/441635908.db2.gz LWIAVHIHKHOTNT-PBHICJAKSA-N 1 0 346.431 1.705 20 5 EDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067483178 441644844 /nfs/dbraw/zinc/64/48/44/441644844.db2.gz LCUZIAOZSAUYDA-LLVKDONJSA-N 1 0 332.364 1.246 20 5 EDBDRO CC[NH+](CC)CCNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000121474278 441713107 /nfs/dbraw/zinc/71/31/07/441713107.db2.gz OQCIVYOEPYPEPX-UHFFFAOYSA-N 1 0 336.392 1.608 20 5 EDBDRO COc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000068037433 441715961 /nfs/dbraw/zinc/71/59/61/441715961.db2.gz WVENUZYDHYRQRW-UHFFFAOYSA-N 1 0 343.405 1.318 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000067703514 441669743 /nfs/dbraw/zinc/66/97/43/441669743.db2.gz BNEIVOHPDDUKPS-GFCCVEGCSA-N 1 0 333.344 1.348 20 5 EDBDRO CC(C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C)CC1 ZINC000042583111 441754722 /nfs/dbraw/zinc/75/47/22/441754722.db2.gz QBJREOCHXXUUMD-INIZCTEOSA-N 1 0 334.420 1.597 20 5 EDBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173550260 441787653 /nfs/dbraw/zinc/78/76/53/441787653.db2.gz HTPBJQLVIFUHJR-INIZCTEOSA-N 1 0 335.404 1.707 20 5 EDBDRO C[NH+](C)Cc1cccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000122325910 441845126 /nfs/dbraw/zinc/84/51/26/441845126.db2.gz DOHAZAXILAPRNZ-UHFFFAOYSA-N 1 0 330.344 1.457 20 5 EDBDRO COc1cc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000078262967 441912418 /nfs/dbraw/zinc/91/24/18/441912418.db2.gz CKXIRDNMINHBPK-HNNXBMFYSA-N 1 0 334.420 1.820 20 5 EDBDRO C[C@@H]1C[NH+](CCCNC(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000068975450 441877229 /nfs/dbraw/zinc/87/72/29/441877229.db2.gz DXWFRUCLUUHVFU-VXGBXAGGSA-N 1 0 339.367 1.963 20 5 EDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000069006805 441879096 /nfs/dbraw/zinc/87/90/96/441879096.db2.gz JZLSTKPYPPUFKF-GFCCVEGCSA-N 1 0 339.367 1.961 20 5 EDBDRO C[C@@H]1C[C@H](N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000123334209 441885190 /nfs/dbraw/zinc/88/51/90/441885190.db2.gz HCHKIESEWCFPQD-CZUORRHYSA-N 1 0 334.420 1.972 20 5 EDBDRO Cc1c(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000118130129 441890214 /nfs/dbraw/zinc/89/02/14/441890214.db2.gz NUGWQPNUNYXNRI-SNVBAGLBSA-N 1 0 334.376 1.441 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000146598816 441897684 /nfs/dbraw/zinc/89/76/84/441897684.db2.gz BUZVKKHYJCFQHU-CQSZACIVSA-N 1 0 339.417 1.762 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000150807784 441954623 /nfs/dbraw/zinc/95/46/23/441954623.db2.gz MMTDRMXEBJMEBA-UHFFFAOYSA-N 1 0 343.405 1.366 20 5 EDBDRO CC(C)[NH2+]CCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000161588093 442014297 /nfs/dbraw/zinc/01/42/97/442014297.db2.gz HLCXZGJOHAZCCO-UHFFFAOYSA-N 1 0 348.403 1.267 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000163778047 442181291 /nfs/dbraw/zinc/18/12/91/442181291.db2.gz VAKOPFHJBLHWNB-UHFFFAOYSA-N 1 0 349.366 1.671 20 5 EDBDRO CN1CCO[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000152260714 442189617 /nfs/dbraw/zinc/18/96/17/442189617.db2.gz RPKVOGTUFBIWMJ-UONOGXRCSA-N 1 0 339.779 1.332 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000170713262 442251886 /nfs/dbraw/zinc/25/18/86/442251886.db2.gz GHFDHARQGPMZKZ-ZDUSSCGKSA-N 1 0 348.403 1.712 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000170873741 442281796 /nfs/dbraw/zinc/28/17/96/442281796.db2.gz SVMOAICZGLJPTL-JTQLQIEISA-N 1 0 347.824 1.881 20 5 EDBDRO CCc1ccc(C(=O)NCCN2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000177117754 442299910 /nfs/dbraw/zinc/29/99/10/442299910.db2.gz WIWYOPOMZOTHOU-UHFFFAOYSA-N 1 0 348.447 1.913 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(C)c1[N+](=O)[O-] ZINC000154521790 442344372 /nfs/dbraw/zinc/34/43/72/442344372.db2.gz BAPLLXHYPFMJMA-LSDHHAIUSA-N 1 0 349.435 1.741 20 5 EDBDRO CCC(=O)N[C@H]1CCCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000130564406 442349889 /nfs/dbraw/zinc/34/98/89/442349889.db2.gz FCNOTEYIZSWGQK-ZDUSSCGKSA-N 1 0 348.403 1.832 20 5 EDBDRO Cc1ccc(CN2CCCN(CC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000129364873 442312769 /nfs/dbraw/zinc/31/27/69/442312769.db2.gz DESVRDJEPOTGCM-UHFFFAOYSA-N 1 0 334.420 1.499 20 5 EDBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000178001154 442400580 /nfs/dbraw/zinc/40/05/80/442400580.db2.gz YVFKMEZMDMMVRD-LLVKDONJSA-N 1 0 327.406 1.651 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000177585773 442359628 /nfs/dbraw/zinc/35/96/28/442359628.db2.gz ZOKHQBXWNPQZFI-MRXNPFEDSA-N 1 0 338.408 1.841 20 5 EDBDRO CNC(=O)CCC[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000154912491 442363525 /nfs/dbraw/zinc/36/35/25/442363525.db2.gz WEXSLFUBWOUALH-AWEZNQCLSA-N 1 0 334.376 1.158 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCC[NH+]2CCCC2)c1C ZINC000178283548 442421571 /nfs/dbraw/zinc/42/15/71/442421571.db2.gz UHVGTSWRNCCLRB-UHFFFAOYSA-N 1 0 341.433 1.976 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C3CCCC3)CC2)n1 ZINC000191837668 442520804 /nfs/dbraw/zinc/52/08/04/442520804.db2.gz STMSERJGPXUADP-UHFFFAOYSA-N 1 0 335.408 1.948 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccccc1 ZINC000186628243 442577415 /nfs/dbraw/zinc/57/74/15/442577415.db2.gz PGCZRJICKZRBND-CQSZACIVSA-N 1 0 329.360 1.605 20 5 EDBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180389390 442592052 /nfs/dbraw/zinc/59/20/52/442592052.db2.gz GNDKAVOXQZFBIU-NSHDSACASA-N 1 0 335.360 1.928 20 5 EDBDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000173273925 442638775 /nfs/dbraw/zinc/63/87/75/442638775.db2.gz PIMXZOIHTNDJAJ-WDEREUQCSA-N 1 0 345.396 1.837 20 5 EDBDRO C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000173282758 442641155 /nfs/dbraw/zinc/64/11/55/442641155.db2.gz SCVNXCXGPGPQNM-QGZVFWFLSA-N 1 0 346.431 1.837 20 5 EDBDRO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000180880171 442666883 /nfs/dbraw/zinc/66/68/83/442666883.db2.gz RXRAOQLBLLFKBM-NSHDSACASA-N 1 0 347.412 1.989 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000193155220 442718289 /nfs/dbraw/zinc/71/82/89/442718289.db2.gz VVYGCHKEXBSUEH-UHFFFAOYSA-N 1 0 348.403 1.235 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1[N+](=O)[O-] ZINC000193242743 442725366 /nfs/dbraw/zinc/72/53/66/442725366.db2.gz XFSYWFHOIYBBSE-FUNVUKJBSA-N 1 0 339.417 1.773 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC2=CC[NH2+]CC2)c1C ZINC000193387953 442738357 /nfs/dbraw/zinc/73/83/57/442738357.db2.gz APYQUBZZQJFZIW-UHFFFAOYSA-N 1 0 325.390 1.410 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000193406980 442739742 /nfs/dbraw/zinc/73/97/42/442739742.db2.gz IWNYSWKYAIWACD-LDYMZIIASA-N 1 0 333.797 1.525 20 5 EDBDRO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000188698550 442790957 /nfs/dbraw/zinc/79/09/57/442790957.db2.gz MUPIMUOSUSXTSX-CQSZACIVSA-N 1 0 349.431 1.831 20 5 EDBDRO C[C@@H]([NH2+]CC(=O)NCC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000182404354 442764337 /nfs/dbraw/zinc/76/43/37/442764337.db2.gz IOHUHDAYOBTWQZ-LLVKDONJSA-N 1 0 337.376 1.703 20 5 EDBDRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000182773846 442822321 /nfs/dbraw/zinc/82/23/21/442822321.db2.gz HRODUXYJQJWINX-SECBINFHSA-N 1 0 340.767 1.255 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000163550771 318427257 /nfs/dbraw/zinc/42/72/57/318427257.db2.gz CPMUDBCZUIWYOP-UHFFFAOYSA-N 1 0 337.424 1.912 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000189211117 442897990 /nfs/dbraw/zinc/89/79/90/442897990.db2.gz ODCSAFOTYYHBRE-UHFFFAOYSA-N 1 0 347.396 1.985 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000268237099 442912138 /nfs/dbraw/zinc/91/21/38/442912138.db2.gz MJIDZPXMHUFHSC-JQWIXIFHSA-N 1 0 343.405 1.174 20 5 EDBDRO C[NH+](C)CC1(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000183347029 442923947 /nfs/dbraw/zinc/92/39/47/442923947.db2.gz FTZPZSBZHMRREC-UHFFFAOYSA-N 1 0 348.403 1.772 20 5 EDBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183359653 442924808 /nfs/dbraw/zinc/92/48/08/442924808.db2.gz ZABZTXWXZWWRJN-UHFFFAOYSA-N 1 0 343.387 1.776 20 5 EDBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC000183381810 318522897 /nfs/dbraw/zinc/52/28/97/318522897.db2.gz YZRHVTMGPTZZTA-UHFFFAOYSA-N 1 0 329.360 1.564 20 5 EDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000194735664 442945185 /nfs/dbraw/zinc/94/51/85/442945185.db2.gz BGIZROONCTXRDM-SNVBAGLBSA-N 1 0 347.824 1.929 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000266267346 443080414 /nfs/dbraw/zinc/08/04/14/443080414.db2.gz ATODWBGZERJLNP-WOPDTQHZSA-N 1 0 337.376 1.945 20 5 EDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCCC[NH+]1CCC(O)CC1 ZINC000255051174 443082932 /nfs/dbraw/zinc/08/29/32/443082932.db2.gz HEOPUIVTXSVFHT-SREVYHEPSA-N 1 0 333.388 1.571 20 5 EDBDRO C[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266498292 443147238 /nfs/dbraw/zinc/14/72/38/443147238.db2.gz WPTVBSPZIGZDIT-JTQLQIEISA-N 1 0 330.797 1.999 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185000521 443115242 /nfs/dbraw/zinc/11/52/42/443115242.db2.gz QEVHXFCXGQSANU-LBPRGKRZSA-N 1 0 341.383 1.922 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(Oc3ccc(F)nc3)CC2)c1 ZINC000190522266 443126524 /nfs/dbraw/zinc/12/65/24/443126524.db2.gz LWJPYDUQVZANRK-UHFFFAOYSA-N 1 0 335.339 1.869 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000268854375 443128208 /nfs/dbraw/zinc/12/82/08/443128208.db2.gz ZXWLTEGNZFAPMZ-ZDUSSCGKSA-N 1 0 327.406 1.618 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C[C@@H]12 ZINC000185072871 443129907 /nfs/dbraw/zinc/12/99/07/443129907.db2.gz URYNTYPCEWFDJL-MRVWCRGKSA-N 1 0 330.388 1.978 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000299412034 318900475 /nfs/dbraw/zinc/90/04/75/318900475.db2.gz OZOONCSAMFXLNY-HNNXBMFYSA-N 1 0 345.403 1.909 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000262414161 443193462 /nfs/dbraw/zinc/19/34/62/443193462.db2.gz DKVJPLHGYWJNGS-JQWIXIFHSA-N 1 0 327.406 1.509 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000262428390 443194715 /nfs/dbraw/zinc/19/47/15/443194715.db2.gz FOYBDYTXIXCJMV-NWDGAFQWSA-N 1 0 325.390 1.133 20 5 EDBDRO COc1ccc(OCCN(C)[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000266538012 443161028 /nfs/dbraw/zinc/16/10/28/443161028.db2.gz OSRZQYKELJXTQC-LLVKDONJSA-N 1 0 344.389 1.101 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000269172502 443221965 /nfs/dbraw/zinc/22/19/65/443221965.db2.gz AHWBSBAKUYMIJW-QMMMGPOBSA-N 1 0 328.166 1.791 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000262777929 443212634 /nfs/dbraw/zinc/21/26/34/443212634.db2.gz XXRSEQFCUOZROY-CHWSQXEVSA-N 1 0 341.433 1.960 20 5 EDBDRO C[C@H]([NH3+])C1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269155838 443215596 /nfs/dbraw/zinc/21/55/96/443215596.db2.gz VROUUUWJPAUUKQ-LBPRGKRZSA-N 1 0 348.403 1.301 20 5 EDBDRO COc1cc(OCC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000269246458 443249623 /nfs/dbraw/zinc/24/96/23/443249623.db2.gz YMZISBFWXUWNJE-RYUDHWBXSA-N 1 0 337.376 1.487 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000382527350 319123875 /nfs/dbraw/zinc/12/38/75/319123875.db2.gz VIXGFBSECDVXIP-SCZZXKLOSA-N 1 0 333.797 1.654 20 5 EDBDRO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000384222696 319126545 /nfs/dbraw/zinc/12/65/45/319126545.db2.gz FJLMKRZHHDPPEU-CJNGLKHVSA-N 1 0 332.404 1.632 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397403154 319134082 /nfs/dbraw/zinc/13/40/82/319134082.db2.gz KPWUKCFLNNVRDI-UPJWGTAASA-N 1 0 341.433 1.897 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000246158132 443273846 /nfs/dbraw/zinc/27/38/46/443273846.db2.gz LLIUOFVODCDTNQ-CHWSQXEVSA-N 1 0 341.433 1.864 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000272493299 443338637 /nfs/dbraw/zinc/33/86/37/443338637.db2.gz NEASOYZIEYZUHJ-KGLIPLIRSA-N 1 0 335.408 1.351 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(CO)CCOCC1 ZINC000264636849 443356290 /nfs/dbraw/zinc/35/62/90/443356290.db2.gz TVZPBZGHPIIFOZ-UHFFFAOYSA-N 1 0 337.376 1.363 20 5 EDBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264680457 443371131 /nfs/dbraw/zinc/37/11/31/443371131.db2.gz ZSCBQBRQDHIFHY-LLVKDONJSA-N 1 0 347.371 1.580 20 5 EDBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264680460 443371392 /nfs/dbraw/zinc/37/13/92/443371392.db2.gz ZSCBQBRQDHIFHY-NSHDSACASA-N 1 0 347.371 1.580 20 5 EDBDRO CCC[NH2+]CCNC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000419908351 319607292 /nfs/dbraw/zinc/60/72/92/319607292.db2.gz IHOSESFGGQGKAO-UHFFFAOYSA-N 1 0 348.403 1.202 20 5 EDBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000420425991 319617032 /nfs/dbraw/zinc/61/70/32/319617032.db2.gz VMFWJMABWOSFIO-PBWFPOADSA-N 1 0 339.417 1.340 20 5 EDBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267340725 443424285 /nfs/dbraw/zinc/42/42/85/443424285.db2.gz CTZFXXDWUBLNDJ-UHFFFAOYSA-N 1 0 341.795 1.825 20 5 EDBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000264791151 443426942 /nfs/dbraw/zinc/42/69/42/443426942.db2.gz UOOIGGBEPUYYKS-MRXNPFEDSA-N 1 0 349.435 1.149 20 5 EDBDRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278785098 443438333 /nfs/dbraw/zinc/43/83/33/443438333.db2.gz VYVMSZOYTMPJKV-LLVKDONJSA-N 1 0 346.391 1.564 20 5 EDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000264918018 443476431 /nfs/dbraw/zinc/47/64/31/443476431.db2.gz OYKONTYVVXVQTB-JTQLQIEISA-N 1 0 343.405 1.068 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000272949306 443498867 /nfs/dbraw/zinc/49/88/67/443498867.db2.gz DIWHQMLGIKGXSB-SJCJKPOMSA-N 1 0 348.403 1.219 20 5 EDBDRO CC[N@H+](CCC(=O)OC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273029856 443523813 /nfs/dbraw/zinc/52/38/13/443523813.db2.gz MQJRIDVBAOLWBR-LBPRGKRZSA-N 1 0 326.349 1.220 20 5 EDBDRO Cc1c(C(=O)NC[C@]2(C)CCC[NH2+]C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000273050145 443528156 /nfs/dbraw/zinc/52/81/56/443528156.db2.gz WTVOOYUTWANKRH-OAHLLOKOSA-N 1 0 336.348 1.931 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCC[C@H]1CCC[NH2+]1 ZINC000440805842 320080883 /nfs/dbraw/zinc/08/08/83/320080883.db2.gz KDARVVFECGMFSV-SECBINFHSA-N 1 0 333.797 1.669 20 5 EDBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000448791331 320160373 /nfs/dbraw/zinc/16/03/73/320160373.db2.gz FGHNXTDGXRFUPK-ZDUSSCGKSA-N 1 0 331.372 1.911 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000449183346 320177131 /nfs/dbraw/zinc/17/71/31/320177131.db2.gz CPMKUELMXRDRCH-KBPBESRZSA-N 1 0 333.388 1.822 20 5 EDBDRO [NH3+]CC[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(F)F ZINC000449612848 320194617 /nfs/dbraw/zinc/19/46/17/320194617.db2.gz OYORWQIFEGYHMV-LLVKDONJSA-N 1 0 339.302 1.493 20 5 EDBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000449660301 320197124 /nfs/dbraw/zinc/19/71/24/320197124.db2.gz FWMRGEOMOKFHFJ-JTQLQIEISA-N 1 0 325.275 1.198 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000457092260 320319302 /nfs/dbraw/zinc/31/93/02/320319302.db2.gz WVQKGUIADSEIAE-HNNXBMFYSA-N 1 0 348.403 1.266 20 5 EDBDRO CC(C)[N@H+](CCN1C(=O)N[C@@H](C)C1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000459306873 320345955 /nfs/dbraw/zinc/34/59/55/320345955.db2.gz QDKVVZZBDXPRCC-LBPRGKRZSA-N 1 0 334.376 1.746 20 5 EDBDRO CCOC(=O)CCCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298157072 443706296 /nfs/dbraw/zinc/70/62/96/443706296.db2.gz SDGKWHCKMLESHC-UHFFFAOYSA-N 1 0 336.392 1.845 20 5 EDBDRO CCc1nncn1CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000518361957 320455793 /nfs/dbraw/zinc/45/57/93/320455793.db2.gz IONPVWXGOODQSI-UHFFFAOYSA-N 1 0 332.364 1.367 20 5 EDBDRO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000298326479 443746932 /nfs/dbraw/zinc/74/69/32/443746932.db2.gz NNYMLNPUXAKMMG-INIZCTEOSA-N 1 0 326.393 1.829 20 5 EDBDRO COC(=O)c1cnc(NC[C@H](O)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000276527874 443735091 /nfs/dbraw/zinc/73/50/91/443735091.db2.gz HCDKTYMVXRUXNG-LBPRGKRZSA-N 1 0 338.364 1.035 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C(=O)N1CCOCC1 ZINC000284815200 443789283 /nfs/dbraw/zinc/78/92/83/443789283.db2.gz LFRBDBUJOVLRLD-DGCLKSJQSA-N 1 0 339.417 1.583 20 5 EDBDRO CN1CCO[C@@H]2CC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000284956984 443798206 /nfs/dbraw/zinc/79/82/06/443798206.db2.gz XEBZTTAQRTXZND-IAGOWNOFSA-N 1 0 335.404 1.769 20 5 EDBDRO O=c1[nH]c(N2CC[N@@H+]3CCCC[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC000280940482 443779531 /nfs/dbraw/zinc/77/95/31/443779531.db2.gz IKTCOMGKHXXSRX-GFCCVEGCSA-N 1 0 329.360 1.918 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)[C@H]2CO)c([N+](=O)[O-])c1 ZINC000298488955 443781717 /nfs/dbraw/zinc/78/17/17/443781717.db2.gz JMWUHGDJLDTAMG-XHDPSFHLSA-N 1 0 337.376 1.635 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000284977229 443805602 /nfs/dbraw/zinc/80/56/02/443805602.db2.gz XGNBRJDLCGIEPY-QBPKDAKJSA-N 1 0 336.388 1.490 20 5 EDBDRO COC(=O)[C@@H](C)C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000298759742 443860824 /nfs/dbraw/zinc/86/08/24/443860824.db2.gz ZLBCCHMDDBJASN-WCQYABFASA-N 1 0 326.349 1.075 20 5 EDBDRO COc1cc(C(=O)N[C@H](C)CCCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000292905002 443875235 /nfs/dbraw/zinc/87/52/35/443875235.db2.gz DTOYBTBKYKCWBJ-SNVBAGLBSA-N 1 0 325.365 1.859 20 5 EDBDRO Cc1n[nH]c(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000288420119 443875510 /nfs/dbraw/zinc/87/55/10/443875510.db2.gz NUKMYZOWAPSWQQ-UHFFFAOYSA-N 1 0 329.360 1.583 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCC[NH+](C)C)c1 ZINC000293039183 443909195 /nfs/dbraw/zinc/90/91/95/443909195.db2.gz PWFMFXPXTMAYEX-UHFFFAOYSA-N 1 0 335.813 1.787 20 5 EDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)COC1CCOCC1 ZINC000285455231 443991289 /nfs/dbraw/zinc/99/12/89/443991289.db2.gz YXMSXNPFWBKSJB-HNNXBMFYSA-N 1 0 338.404 1.626 20 5 EDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000281954840 444048189 /nfs/dbraw/zinc/04/81/89/444048189.db2.gz FUUBGDSVSQPSDF-UHFFFAOYSA-N 1 0 337.376 1.397 20 5 EDBDRO C[C@@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H](C)[N@H+]1C ZINC000293477659 444028820 /nfs/dbraw/zinc/02/88/20/444028820.db2.gz RPTDRLLDGCQTPU-BETUJISGSA-N 1 0 332.404 1.508 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293574902 444058671 /nfs/dbraw/zinc/05/86/71/444058671.db2.gz YGJFWTZTSYQTMH-CMPLNLGQSA-N 1 0 333.344 1.190 20 5 EDBDRO C[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1CCO ZINC000563022299 321088842 /nfs/dbraw/zinc/08/88/42/321088842.db2.gz IAXDLYGCCWMHGR-BETUJISGSA-N 1 0 336.392 1.191 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000565244890 321178825 /nfs/dbraw/zinc/17/88/25/321178825.db2.gz KKQMHQMQZZXMEZ-RYUDHWBXSA-N 1 0 327.406 1.712 20 5 EDBDRO CSc1ccc(F)cc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000566110232 321215981 /nfs/dbraw/zinc/21/59/81/321215981.db2.gz HYKXHOJERJJXHP-ZDUSSCGKSA-N 1 0 340.380 1.803 20 5 EDBDRO CCNC(=O)C(C)(C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000569475537 321326964 /nfs/dbraw/zinc/32/69/64/321326964.db2.gz JOZZCURZBJBQIL-UHFFFAOYSA-N 1 0 336.392 1.675 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCOC3(CCCCC3)C2)c1 ZINC000571552140 321391844 /nfs/dbraw/zinc/39/18/44/321391844.db2.gz PRJXKCNBEZWAFZ-DZGCQCFKSA-N 1 0 338.408 1.624 20 5 EDBDRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000285880777 444139507 /nfs/dbraw/zinc/13/95/07/444139507.db2.gz JKTYCDRPGCGLKX-GOEBONIOSA-N 1 0 335.404 1.769 20 5 EDBDRO Cc1nn(C)c(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000301212639 444154587 /nfs/dbraw/zinc/15/45/87/444154587.db2.gz XVNPSCUGKHAOMZ-CQSZACIVSA-N 1 0 336.440 1.243 20 5 EDBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301299821 444162746 /nfs/dbraw/zinc/16/27/46/444162746.db2.gz QKZVMVLLPYESTE-LBPRGKRZSA-N 1 0 331.376 1.381 20 5 EDBDRO CN(CC1CC[NH+](C)CC1)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301851992 444193812 /nfs/dbraw/zinc/19/38/12/444193812.db2.gz ASVYIQCCPSXZIS-UHFFFAOYSA-N 1 0 341.433 1.776 20 5 EDBDRO CCn1ccnc1[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000576817002 321598853 /nfs/dbraw/zinc/59/88/53/321598853.db2.gz UJCQDAVRBQVWRO-OLZOCXBDSA-N 1 0 334.376 1.902 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296396749 444225886 /nfs/dbraw/zinc/22/58/86/444225886.db2.gz KGRJTDLMTPESHT-KGLIPLIRSA-N 1 0 349.435 1.591 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000304311834 444246108 /nfs/dbraw/zinc/24/61/08/444246108.db2.gz MFWTXZKTGMGKHU-GOEBONIOSA-N 1 0 331.376 1.339 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000317256290 444314548 /nfs/dbraw/zinc/31/45/48/444314548.db2.gz PPKSLBZNNDTHOT-GXTWGEPZSA-N 1 0 327.406 1.484 20 5 EDBDRO O=C(C[NH2+][C@]1(CO)CCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000305725493 444275847 /nfs/dbraw/zinc/27/58/47/444275847.db2.gz LHSLMKWXQUZXOE-SFHVURJKSA-N 1 0 341.367 1.957 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000298113542 444419669 /nfs/dbraw/zinc/41/96/69/444419669.db2.gz MHONTXNRQCSLDK-UHFFFAOYSA-N 1 0 334.376 1.361 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000580067967 322004830 /nfs/dbraw/zinc/00/48/30/322004830.db2.gz QGONOQZABVVSOO-WCQYABFASA-N 1 0 341.433 1.918 20 5 EDBDRO C[C@@]1(F)C[NH2+]CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000580294744 322032680 /nfs/dbraw/zinc/03/26/80/322032680.db2.gz KPYKCDYSQOWGKK-LLVKDONJSA-N 1 0 337.398 1.198 20 5 EDBDRO CCC[C@H](C)[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000580649184 322078265 /nfs/dbraw/zinc/07/82/65/322078265.db2.gz OXDTUGSYRZBMOQ-SWLSCSKDSA-N 1 0 344.433 1.755 20 5 EDBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1OC ZINC000581007398 322123267 /nfs/dbraw/zinc/12/32/67/322123267.db2.gz IGZXLKNINZQLTG-YXAMBPQSSA-N 1 0 340.376 1.117 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000581429359 322176492 /nfs/dbraw/zinc/17/64/92/322176492.db2.gz ITXPHDWUADDDAG-GHMZBOCLSA-N 1 0 327.406 1.515 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000342188503 444555004 /nfs/dbraw/zinc/55/50/04/444555004.db2.gz GTMGHYZPMAURJY-NSHDSACASA-N 1 0 325.365 1.186 20 5 EDBDRO C[C@@H]([NH2+][C@H]1CCC(=O)NC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000338597361 444766876 /nfs/dbraw/zinc/76/68/76/444766876.db2.gz LKOGWXRRFNPDTD-MFKMUULPSA-N 1 0 334.376 1.569 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCN(C)C1=O ZINC000341319085 444776552 /nfs/dbraw/zinc/77/65/52/444776552.db2.gz YCOYGPGLBQDALE-SMDDNHRTSA-N 1 0 334.376 1.522 20 5 EDBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Cn1cnc([N+](=O)[O-])n1)[NH+](C)C ZINC000344259438 444867059 /nfs/dbraw/zinc/86/70/59/444867059.db2.gz COBOITFXXOPBNG-IUODEOHRSA-N 1 0 346.391 1.302 20 5 EDBDRO C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C(=O)NCC[NH+]1CCCCC1 ZINC000339218240 445095251 /nfs/dbraw/zinc/09/52/51/445095251.db2.gz VCOKJIJOLOSYDB-CYBMUJFWSA-N 1 0 348.403 1.315 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342111283 445177419 /nfs/dbraw/zinc/17/74/19/445177419.db2.gz UJQQTEYERVCIAQ-MJBXVCDLSA-N 1 0 332.404 1.901 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC1CC[NH+](CCO)CC1 ZINC000343284956 445178891 /nfs/dbraw/zinc/17/88/91/445178891.db2.gz UJHKWBYZYRHHOI-UHFFFAOYSA-N 1 0 336.392 1.071 20 5 EDBDRO Cn1nccc1[C@@H]1[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCC[N@@H+]1C ZINC000343355167 445208354 /nfs/dbraw/zinc/20/83/54/445208354.db2.gz RBMDTHFUUQHTSZ-NHYWBVRUSA-N 1 0 346.391 1.469 20 5 EDBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000343505330 445235457 /nfs/dbraw/zinc/23/54/57/445235457.db2.gz DKFKEKMZOHEWLZ-OLZOCXBDSA-N 1 0 335.408 1.612 20 5 EDBDRO COCC[C@H](CO)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343549852 445242508 /nfs/dbraw/zinc/24/25/08/445242508.db2.gz MANITTUFCULGIC-DGCLKSJQSA-N 1 0 325.365 1.299 20 5 EDBDRO [NH3+]CC1CCC(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000343614200 445263572 /nfs/dbraw/zinc/26/35/72/445263572.db2.gz ZCOZYLHXMMQVJC-UHFFFAOYSA-N 1 0 349.387 1.861 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000351832759 445337563 /nfs/dbraw/zinc/33/75/63/445337563.db2.gz ZIVYEAXPIZBLSI-WDEREUQCSA-N 1 0 335.360 1.104 20 5 EDBDRO C[C@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000354684133 445339995 /nfs/dbraw/zinc/33/99/95/445339995.db2.gz XAAVFHHKAUXFST-SMDDNHRTSA-N 1 0 334.376 1.030 20 5 EDBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000351960811 445402049 /nfs/dbraw/zinc/40/20/49/445402049.db2.gz WMIAXZTVWICULI-GXTWGEPZSA-N 1 0 344.375 1.138 20 5 EDBDRO COc1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000352017338 445441687 /nfs/dbraw/zinc/44/16/87/445441687.db2.gz FYTODABWIPQUFN-ZFWWWQNUSA-N 1 0 335.404 1.898 20 5 EDBDRO Cn1nccc1[C@@H]1[C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC[N@@H+]1C ZINC000348948855 445451149 /nfs/dbraw/zinc/45/11/49/445451149.db2.gz JPLHLEGAVPQIPA-ABAIWWIYSA-N 1 0 346.391 1.469 20 5 EDBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357180835 445470213 /nfs/dbraw/zinc/47/02/13/445470213.db2.gz BUVVETBRHQSOCD-XQQFMLRXSA-N 1 0 347.419 1.930 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2C[C@H]2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000360001308 445521650 /nfs/dbraw/zinc/52/16/50/445521650.db2.gz OPCUUVGXSAJKOX-KBPBESRZSA-N 1 0 339.417 1.570 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000360004054 445522846 /nfs/dbraw/zinc/52/28/46/445522846.db2.gz FPIPJMHQDMYUEU-KBPBESRZSA-N 1 0 339.417 1.570 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3c[nH]c4nccnc34)C2)nc1 ZINC000356131866 445637644 /nfs/dbraw/zinc/63/76/44/445637644.db2.gz URFDTQLQCBDUNQ-GFCCVEGCSA-N 1 0 339.359 1.899 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000353737479 445731904 /nfs/dbraw/zinc/73/19/04/445731904.db2.gz LWOSUHVEVOAWTQ-ZDUSSCGKSA-N 1 0 338.360 1.663 20 5 EDBDRO CC[C@@H](NC(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358707251 445731982 /nfs/dbraw/zinc/73/19/82/445731982.db2.gz ONQHYQCRJWXNCC-ZBFHGGJFSA-N 1 0 336.392 1.412 20 5 EDBDRO NC(=O)c1ccc(CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000392092996 325738348 /nfs/dbraw/zinc/73/83/48/325738348.db2.gz KRCHYIGHCMVCLH-CABCVRRESA-N 1 0 332.404 1.800 20 5 EDBDRO Cc1cc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)ncc1[N+](=O)[O-] ZINC000364887994 445964809 /nfs/dbraw/zinc/96/48/09/445964809.db2.gz LOSGUDRPDLIDIY-SUMWQHHRSA-N 1 0 344.419 2.527 20 5 EDBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000351143097 445999878 /nfs/dbraw/zinc/99/98/78/445999878.db2.gz RLPBRHXWHALQKN-JMSVASOKSA-N 1 0 349.387 1.877 20 5 EDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000359201051 446029122 /nfs/dbraw/zinc/02/91/22/446029122.db2.gz AVNUDFCGEZDTCJ-OAHLLOKOSA-N 1 0 343.387 1.995 20 5 EDBDRO C[NH+]1CCN(C[C@H]2CN(c3ccc([N+](=O)[O-])cc3F)CCO2)CC1 ZINC000365145792 446051900 /nfs/dbraw/zinc/05/19/00/446051900.db2.gz IQBGXBVMQTZUCR-AWEZNQCLSA-N 1 0 338.383 1.187 20 5 EDBDRO CO[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C[NH3+])C1 ZINC000359219373 446049292 /nfs/dbraw/zinc/04/92/92/446049292.db2.gz PMNKRHMZUVLBOA-STQMWFEESA-N 1 0 341.795 1.755 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000583934276 326169027 /nfs/dbraw/zinc/16/90/27/326169027.db2.gz XYJDXSMBIGAIHS-YPMHNXCESA-N 1 0 341.433 1.824 20 5 EDBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000369327467 446075172 /nfs/dbraw/zinc/07/51/72/446075172.db2.gz SBKVOPMNYVBPRJ-ILWJIGKKSA-N 1 0 329.353 1.377 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369330229 446079526 /nfs/dbraw/zinc/07/95/26/446079526.db2.gz LBXFBRROGZXKFT-OAHLLOKOSA-N 1 0 346.431 1.755 20 5 EDBDRO CCO[C@H]1COCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000362026093 446163804 /nfs/dbraw/zinc/16/38/04/446163804.db2.gz MHDSRKGNZXWAKV-ZFWWWQNUSA-N 1 0 337.376 1.707 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000365405744 446192688 /nfs/dbraw/zinc/19/26/88/446192688.db2.gz OVRLJPVMVAIZCE-LBPRGKRZSA-N 1 0 327.406 1.700 20 5 EDBDRO CCO[C@@H]1COCC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000362030915 446167497 /nfs/dbraw/zinc/16/74/97/446167497.db2.gz YMFBPWGLEHEGNN-FVQBIDKESA-N 1 0 340.376 1.118 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C3CCCCCC3)C2)n1 ZINC000362032814 446168368 /nfs/dbraw/zinc/16/83/68/446168368.db2.gz QLSIDHNMNLRSPM-LBPRGKRZSA-N 1 0 335.408 1.855 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000365408852 446193751 /nfs/dbraw/zinc/19/37/51/446193751.db2.gz FDKMRHKXHQYMAW-UHFFFAOYSA-N 1 0 335.408 1.623 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000366315688 446144729 /nfs/dbraw/zinc/14/47/29/446144729.db2.gz SBPYXSJVXIOWJC-JDICNCQASA-N 1 0 331.781 1.053 20 5 EDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000362016963 446156020 /nfs/dbraw/zinc/15/60/20/446156020.db2.gz BCWLVZXNSHYSGX-TUKIKUTGSA-N 1 0 337.376 1.705 20 5 EDBDRO COc1ccc2c(c1)[C@H]([NH3+])CCN2C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000365495426 446230875 /nfs/dbraw/zinc/23/08/75/446230875.db2.gz SAHDLIWKHPEHKD-CYBMUJFWSA-N 1 0 345.359 1.545 20 5 EDBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000366586146 446270105 /nfs/dbraw/zinc/27/01/05/446270105.db2.gz HSNMAQPQSCTGEQ-SUMWQHHRSA-N 1 0 349.387 1.803 20 5 EDBDRO [NH3+][C@H]1CCC[C@@]12CCN(S(=O)(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000376130030 446346829 /nfs/dbraw/zinc/34/68/29/446346829.db2.gz MFJVOIILBVSEGA-KBPBESRZSA-N 1 0 325.390 1.487 20 5 EDBDRO Cc1nn(CCC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(C)c1[N+](=O)[O-] ZINC000376195513 446375963 /nfs/dbraw/zinc/37/59/63/446375963.db2.gz LHNSSKFNOIWOHS-HUUCEWRRSA-N 1 0 349.435 1.789 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CCC[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000420244525 446429098 /nfs/dbraw/zinc/42/90/98/446429098.db2.gz DOCKCBUDORZKHG-INIZCTEOSA-N 1 0 334.376 1.665 20 5 EDBDRO CCN(CC)S(=O)(=O)c1ccc(N[C@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000420262947 446438240 /nfs/dbraw/zinc/43/82/40/446438240.db2.gz NBFWQBGDDYLFKO-WDEREUQCSA-N 1 0 344.437 1.773 20 5 EDBDRO Cn1ccnc1C(=O)c1ccc(N2CC[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC000420275398 446444478 /nfs/dbraw/zinc/44/44/78/446444478.db2.gz KTNKNWOIJMDLDO-DOMZBBRYSA-N 1 0 341.371 1.357 20 5 EDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370761353 446421121 /nfs/dbraw/zinc/42/11/21/446421121.db2.gz WHDQFPUVEOTWRR-HOTGVXAUSA-N 1 0 347.415 1.754 20 5 EDBDRO CN(C)c1noc(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000374868722 446425038 /nfs/dbraw/zinc/42/50/38/446425038.db2.gz NCSCDYUWYMWHOL-UHFFFAOYSA-N 1 0 335.368 1.120 20 5 EDBDRO C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000370917306 446519347 /nfs/dbraw/zinc/51/93/47/446519347.db2.gz MIVXCROJAZNBGM-WBVHZDCISA-N 1 0 343.387 1.525 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@@H]21 ZINC000452974545 446523830 /nfs/dbraw/zinc/52/38/30/446523830.db2.gz LXFUJGCMMPYNRW-BZNIZROVSA-N 1 0 328.372 1.781 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000376481769 446524367 /nfs/dbraw/zinc/52/43/67/446524367.db2.gz MHZJWMDSZKXJAV-KGLIPLIRSA-N 1 0 346.387 1.585 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000376481768 446524985 /nfs/dbraw/zinc/52/49/85/446524985.db2.gz MHZJWMDSZKXJAV-KBPBESRZSA-N 1 0 346.387 1.585 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000423455220 446543765 /nfs/dbraw/zinc/54/37/65/446543765.db2.gz CBQVBTVZKFJLCZ-MNOVXSKESA-N 1 0 335.360 1.581 20 5 EDBDRO COCCC[N@@H+]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000371002753 446567648 /nfs/dbraw/zinc/56/76/48/446567648.db2.gz CQMRRLMHOUWGIE-QGZVFWFLSA-N 1 0 337.420 1.672 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])cc([N+](=O)[O-])c1C ZINC000423503183 446557006 /nfs/dbraw/zinc/55/70/06/446557006.db2.gz FPOSSIHEQCUNTI-QWHCGFSZSA-N 1 0 337.376 1.490 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000420437171 446612587 /nfs/dbraw/zinc/61/25/87/446612587.db2.gz PMOFFEHAGQJXIC-ZYHUDNBSSA-N 1 0 327.406 1.488 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000420437434 446612700 /nfs/dbraw/zinc/61/27/00/446612700.db2.gz CMGCYJXTHLTZEM-LLVKDONJSA-N 1 0 335.332 1.179 20 5 EDBDRO C[C@@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C[NH3+] ZINC000420398272 446571793 /nfs/dbraw/zinc/57/17/93/446571793.db2.gz GUZFMGBCNCDDPX-IOASZLSFSA-N 1 0 332.404 1.617 20 5 EDBDRO C[C@@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C[NH3+] ZINC000420398278 446572090 /nfs/dbraw/zinc/57/20/90/446572090.db2.gz GUZFMGBCNCDDPX-XJKCOSOUSA-N 1 0 332.404 1.617 20 5 EDBDRO CN(C(=O)CN1C[C@H]([NH3+])Cc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000420403007 446577060 /nfs/dbraw/zinc/57/70/60/446577060.db2.gz MTPSCGDGMTWWAB-CQSZACIVSA-N 1 0 340.383 1.948 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420416647 446589808 /nfs/dbraw/zinc/58/98/08/446589808.db2.gz GPGGFDSSQAEAIX-OAHLLOKOSA-N 1 0 339.417 1.586 20 5 EDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418571994 446599252 /nfs/dbraw/zinc/59/92/52/446599252.db2.gz PXTPFLCTXHQTLH-ZIAGYGMSSA-N 1 0 347.419 1.567 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420427331 446602014 /nfs/dbraw/zinc/60/20/14/446602014.db2.gz KIOIOFGBMDVNDY-RISCZKNCSA-N 1 0 327.406 1.055 20 5 EDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420459973 446638418 /nfs/dbraw/zinc/63/84/18/446638418.db2.gz QZANEOYEEIIUOQ-UONOGXRCSA-N 1 0 341.433 1.574 20 5 EDBDRO COC(=O)[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000411904313 446712909 /nfs/dbraw/zinc/71/29/09/446712909.db2.gz LQXUONNQQWDSRQ-LLVKDONJSA-N 1 0 325.340 1.271 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@@H]2C[NH+](C)C)c1F ZINC000411916413 446732246 /nfs/dbraw/zinc/73/22/46/446732246.db2.gz YTLDFRLGAJHUOJ-LLVKDONJSA-N 1 0 339.367 1.838 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411981684 446773976 /nfs/dbraw/zinc/77/39/76/446773976.db2.gz ORWBPKOOUOTIFE-IXDOHACOSA-N 1 0 347.415 1.925 20 5 EDBDRO Cc1cc(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)ccc1[N+](=O)[O-] ZINC000423955641 446798139 /nfs/dbraw/zinc/79/81/39/446798139.db2.gz TXQGOPDKYATETI-UHFFFAOYSA-N 1 0 346.431 1.849 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423986874 446808061 /nfs/dbraw/zinc/80/80/61/446808061.db2.gz YKRDGOAKAPLKGB-UKRRQHHQSA-N 1 0 332.404 1.997 20 5 EDBDRO CN1C(=O)C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)cc1 ZINC000368462346 446877714 /nfs/dbraw/zinc/87/77/14/446877714.db2.gz NSXYPILJQSSUDH-GDBMZVCRSA-N 1 0 347.350 1.492 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000420940573 446914500 /nfs/dbraw/zinc/91/45/00/446914500.db2.gz DQKMUQHBLBQQBV-CMPLNLGQSA-N 1 0 336.314 1.817 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000375621272 446929664 /nfs/dbraw/zinc/92/96/64/446929664.db2.gz QPVMTACSCDRJTH-SNVBAGLBSA-N 1 0 333.797 1.669 20 5 EDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000371548398 446927927 /nfs/dbraw/zinc/92/79/27/446927927.db2.gz ZSSAVQZNNWHGHL-BLLLJJGKSA-N 1 0 332.404 1.827 20 5 EDBDRO CCOc1ccc(NC(=O)CN2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000442776119 446962961 /nfs/dbraw/zinc/96/29/61/446962961.db2.gz BJHRFBZBWGSKMC-VXGBXAGGSA-N 1 0 336.392 1.601 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000442780758 446964956 /nfs/dbraw/zinc/96/49/56/446964956.db2.gz LKPHIMPBUFVMLM-GRYCIOLGSA-N 1 0 336.392 1.600 20 5 EDBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000419163466 446979786 /nfs/dbraw/zinc/97/97/86/446979786.db2.gz LLXYLRMRTUWCAR-RISCZKNCSA-N 1 0 336.392 1.276 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368631584 446992671 /nfs/dbraw/zinc/99/26/71/446992671.db2.gz IDQXOEJOJBPZSN-LBPRGKRZSA-N 1 0 345.808 1.669 20 5 EDBDRO CN(c1ncc([N+](=O)[O-])cc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000413134947 447025555 /nfs/dbraw/zinc/02/55/55/447025555.db2.gz RHVSGXHQTNAAEI-UHFFFAOYSA-N 1 0 348.382 1.926 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421305477 447119789 /nfs/dbraw/zinc/11/97/89/447119789.db2.gz MZRMYAFNBKGBNV-ZDUSSCGKSA-N 1 0 348.403 1.703 20 5 EDBDRO C[C@H]1C[C@H]1C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421395545 447149021 /nfs/dbraw/zinc/14/90/21/447149021.db2.gz YUBPCZRLXTXWDF-RYUDHWBXSA-N 1 0 327.406 1.461 20 5 EDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2nnnn2CC1 ZINC000421394897 447149357 /nfs/dbraw/zinc/14/93/57/447149357.db2.gz HGJFAXRJBSIRIZ-OCCSQVGLSA-N 1 0 330.392 1.897 20 5 EDBDRO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC[NH+]2CCC1CC2 ZINC000372731727 447253222 /nfs/dbraw/zinc/25/32/22/447253222.db2.gz JCIRNESBIAXJIK-UHFFFAOYSA-N 1 0 333.373 1.520 20 5 EDBDRO C[NH+](C)C1CCC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000421684799 447217742 /nfs/dbraw/zinc/21/77/42/447217742.db2.gz LTSKNDCDBDMVFT-UHFFFAOYSA-N 1 0 349.387 1.969 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000422395035 447525001 /nfs/dbraw/zinc/52/50/01/447525001.db2.gz DWQIFLJFMAUFMR-HIFRSBDPSA-N 1 0 348.403 1.373 20 5 EDBDRO CC[NH+](CC)CCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416357893 447579692 /nfs/dbraw/zinc/57/96/92/447579692.db2.gz FJCGZOFZKBAGFP-UHFFFAOYSA-N 1 0 329.422 1.832 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416406902 447591896 /nfs/dbraw/zinc/59/18/96/447591896.db2.gz HEGUKEKPGVPOLV-QWHCGFSZSA-N 1 0 341.433 1.973 20 5 EDBDRO C[C@]1(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CCC[NH2+]C1 ZINC000420228242 447678866 /nfs/dbraw/zinc/67/88/66/447678866.db2.gz KVXOZBDYCPVJSY-ZDUSSCGKSA-N 1 0 328.394 1.044 20 5 EDBDRO CC1(C)CCC[NH2+][C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000420233641 447679767 /nfs/dbraw/zinc/67/97/67/447679767.db2.gz ABRRSDOMUJNWGT-CYBMUJFWSA-N 1 0 331.376 2.434 20 5 EDBDRO [NH3+]C[C@H]1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CCO1 ZINC000420238340 447682706 /nfs/dbraw/zinc/68/27/06/447682706.db2.gz KWGAWOSWAHSQIB-AWEZNQCLSA-N 1 0 344.371 1.733 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+](C1CC1)C1COC1 ZINC000451123022 447691096 /nfs/dbraw/zinc/69/10/96/447691096.db2.gz BHYSVMPJAXALCE-UHFFFAOYSA-N 1 0 333.344 1.756 20 5 EDBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000496510973 447798964 /nfs/dbraw/zinc/79/89/64/447798964.db2.gz GSDAFPGGKJYMIK-CQSZACIVSA-N 1 0 339.392 1.912 20 5 EDBDRO Cc1ccnc(NCC(=O)NCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000431483183 447808982 /nfs/dbraw/zinc/80/89/82/447808982.db2.gz MUCXVODFSOQVEY-UHFFFAOYSA-N 1 0 335.408 1.702 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCOc3ccc(F)cc3C2)c1 ZINC000489158021 447851984 /nfs/dbraw/zinc/85/19/84/447851984.db2.gz GKBNOZMRCNDRQB-AWEZNQCLSA-N 1 0 336.323 1.186 20 5 EDBDRO C[C@]1(F)C[NH2+]CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000569823568 447900858 /nfs/dbraw/zinc/90/08/58/447900858.db2.gz DKEMIJSIBQFQFS-NSHDSACASA-N 1 0 333.161 1.890 20 5 EDBDRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000576220090 448001751 /nfs/dbraw/zinc/00/17/51/448001751.db2.gz CLRVJFHEUSWSQW-HNNXBMFYSA-N 1 0 334.376 1.438 20 5 EDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000525805636 448029517 /nfs/dbraw/zinc/02/95/17/448029517.db2.gz XVIOZMLEJRLGJL-GFCCVEGCSA-N 1 0 344.375 1.247 20 5 EDBDRO COc1ccc(CC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000571163082 448114840 /nfs/dbraw/zinc/11/48/40/448114840.db2.gz QWBIGQCMNMRUBP-CABCVRRESA-N 1 0 347.415 1.994 20 5 EDBDRO CC(=O)c1ccc(OC[C@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000571433306 448153713 /nfs/dbraw/zinc/15/37/13/448153713.db2.gz WRRBMOMKGIHNPX-OAHLLOKOSA-N 1 0 348.359 1.023 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCCS(=O)(=O)C3)c2c1 ZINC000514627885 448176051 /nfs/dbraw/zinc/17/60/51/448176051.db2.gz GVMQTTMXEQTIFI-LBPRGKRZSA-N 1 0 337.401 1.785 20 5 EDBDRO CNc1nccc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000561176676 448233706 /nfs/dbraw/zinc/23/37/06/448233706.db2.gz NPJZADCVFGFGDK-UHFFFAOYSA-N 1 0 349.435 2.226 20 5 EDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)C2)C1 ZINC000577203942 448235460 /nfs/dbraw/zinc/23/54/60/448235460.db2.gz KGGWQSRRRYCMQF-KRWDZBQOSA-N 1 0 347.371 1.534 20 5 EDBDRO COc1cc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc([N+](=O)[O-])c1OC ZINC000515054500 448249386 /nfs/dbraw/zinc/24/93/86/448249386.db2.gz XXRJFPILNJQQBQ-QGZVFWFLSA-N 1 0 349.387 1.828 20 5 EDBDRO C[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000577334539 448265453 /nfs/dbraw/zinc/26/54/53/448265453.db2.gz AJTWCJHHJPIHNK-KGLIPLIRSA-N 1 0 334.420 1.450 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000577496876 448313816 /nfs/dbraw/zinc/31/38/16/448313816.db2.gz RALWXIIQQXJTKY-UHFFFAOYSA-N 1 0 343.339 1.237 20 5 EDBDRO COC(=O)[C@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CC[N@H+](C)C1 ZINC000591189344 448283871 /nfs/dbraw/zinc/28/38/71/448283871.db2.gz KRKMISGRIHGRDZ-LLVKDONJSA-N 1 0 345.359 1.079 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000533019583 448346243 /nfs/dbraw/zinc/34/62/43/448346243.db2.gz PFNUYZHZBWWGIO-ZLDLUXBVSA-N 1 0 336.392 1.257 20 5 EDBDRO C[C@@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000565190765 448358315 /nfs/dbraw/zinc/35/83/15/448358315.db2.gz HVAMUSJUNXOTPY-NEPJUHHUSA-N 1 0 347.419 1.955 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591447904 448366070 /nfs/dbraw/zinc/36/60/70/448366070.db2.gz CSEJJCJUJQHLLR-CZUORRHYSA-N 1 0 332.404 1.916 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591448627 448367174 /nfs/dbraw/zinc/36/71/74/448367174.db2.gz KOCUGQIKXAPIKN-DOMZBBRYSA-N 1 0 348.403 1.616 20 5 EDBDRO Cn1ccnc1[C@H](NC[C@@H]1C[C@H](F)C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000591581768 448396187 /nfs/dbraw/zinc/39/61/87/448396187.db2.gz RJFAXBCYFMQYCG-KCQAQPDRSA-N 1 0 333.367 1.707 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000572748137 448455566 /nfs/dbraw/zinc/45/55/66/448455566.db2.gz AVNZPGYSLDWREG-CQSZACIVSA-N 1 0 336.392 1.709 20 5 EDBDRO COc1cccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000591728901 448475503 /nfs/dbraw/zinc/47/55/03/448475503.db2.gz WCKGTBXIFUUIKY-CQSZACIVSA-N 1 0 333.344 1.528 20 5 EDBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000591756718 448482395 /nfs/dbraw/zinc/48/23/95/448482395.db2.gz TZDYQMDXUAFLGT-WFASDCNBSA-N 1 0 336.392 1.232 20 5 EDBDRO C[C@@H](Cc1cnn(C)c1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591769945 448487409 /nfs/dbraw/zinc/48/74/09/448487409.db2.gz YCNRTBZIZWLARF-WFASDCNBSA-N 1 0 334.376 1.289 20 5 EDBDRO Cc1n[nH]cc1CCC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591771819 448488195 /nfs/dbraw/zinc/48/81/95/448488195.db2.gz UAMWMYWYHPTEQV-HNNXBMFYSA-N 1 0 334.376 1.588 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2c3ccccc3C[C@H]2O)c1 ZINC000572960687 448507767 /nfs/dbraw/zinc/50/77/67/448507767.db2.gz KDOWVNLELAZEAJ-QGTPRVQTSA-N 1 0 344.367 1.582 20 5 EDBDRO Cc1noc(C)c1CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000516965850 448510471 /nfs/dbraw/zinc/51/04/71/448510471.db2.gz OKBBBZCJXBTYIJ-AWEZNQCLSA-N 1 0 335.360 1.772 20 5 EDBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000578499598 448560785 /nfs/dbraw/zinc/56/07/85/448560785.db2.gz SGSLUKLIONSMSY-OAHLLOKOSA-N 1 0 336.367 1.859 20 5 EDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000539921864 448625091 /nfs/dbraw/zinc/62/50/91/448625091.db2.gz KJZKOJRPFCGYKX-LLVKDONJSA-N 1 0 342.371 1.139 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000578856025 448651542 /nfs/dbraw/zinc/65/15/42/448651542.db2.gz BBBYMXLIMKPYKP-CYBMUJFWSA-N 1 0 348.403 1.608 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000540909364 448653424 /nfs/dbraw/zinc/65/34/24/448653424.db2.gz NWRIGLLJKDHIER-NSHDSACASA-N 1 0 335.360 1.784 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000585781911 448763958 /nfs/dbraw/zinc/76/39/58/448763958.db2.gz BSEILVYYEBSHPL-HUUCEWRRSA-N 1 0 335.360 1.291 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000592367227 448808130 /nfs/dbraw/zinc/80/81/30/448808130.db2.gz YNHVOIFQURAGEB-SNVBAGLBSA-N 1 0 343.405 1.351 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@H]2CC23CC[NH2+]CC3)cc([N+](=O)[O-])c1 ZINC000592337760 448797819 /nfs/dbraw/zinc/79/78/19/448797819.db2.gz MJMUZQUKDHPAKO-AWEZNQCLSA-N 1 0 347.371 1.643 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000592388096 448819263 /nfs/dbraw/zinc/81/92/63/448819263.db2.gz XBAKGCBWBYXDCE-JSGCOSHPSA-N 1 0 345.396 1.099 20 5 EDBDRO C[NH+](C)[C@]1(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)CCSC1 ZINC000587990951 448851036 /nfs/dbraw/zinc/85/10/36/448851036.db2.gz NAPWCEBNIMCTRT-AWEZNQCLSA-N 1 0 326.422 1.519 20 5 EDBDRO CNc1nccc(C(=O)NC2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000579730824 448867897 /nfs/dbraw/zinc/86/78/97/448867897.db2.gz UQFFWPQFUKKRKY-UHFFFAOYSA-N 1 0 335.408 1.882 20 5 EDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000592523789 448877010 /nfs/dbraw/zinc/87/70/10/448877010.db2.gz BZHMZRVNYHTYHR-OWNNVSBGSA-N 1 0 332.404 1.660 20 5 EDBDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000592531532 448882419 /nfs/dbraw/zinc/88/24/19/448882419.db2.gz VTAVTZSGDNCJQW-UACPFRLSSA-N 1 0 334.372 1.854 20 5 EDBDRO CC[C@@H]1CN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592485488 448857238 /nfs/dbraw/zinc/85/72/38/448857238.db2.gz BRJRMGAXKMJTNZ-YPMHNXCESA-N 1 0 336.392 1.601 20 5 EDBDRO CC1(C)CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC[N@@H+]1CCO ZINC000588026818 448859474 /nfs/dbraw/zinc/85/94/74/448859474.db2.gz HHOFVKLPYIIYKW-UHFFFAOYSA-N 1 0 347.375 1.137 20 5 EDBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000520552728 448909032 /nfs/dbraw/zinc/90/90/32/448909032.db2.gz JWUYPIRDLXYXMR-OAHLLOKOSA-N 1 0 347.419 1.513 20 5 EDBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000520606164 448916426 /nfs/dbraw/zinc/91/64/26/448916426.db2.gz KWCUPWBOYAXGSY-UPJWGTAASA-N 1 0 347.419 2.049 20 5 EDBDRO NC(=O)C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000588976264 448957033 /nfs/dbraw/zinc/95/70/33/448957033.db2.gz NKQQHPQUYHFRQY-JTQLQIEISA-N 1 0 331.332 1.342 20 5 EDBDRO O=C1[C@@H](N2CC[C@@]3(C2)CCC[NH2+]C3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000574812878 448963247 /nfs/dbraw/zinc/96/32/47/448963247.db2.gz KSPNHMHYEIZIGB-WMZOPIPTSA-N 1 0 344.415 1.776 20 5 EDBDRO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000592952279 449073563 /nfs/dbraw/zinc/07/35/63/449073563.db2.gz CMJSHTVGQNCJHG-AWEZNQCLSA-N 1 0 347.371 1.771 20 5 EDBDRO C[C@H](CO)C1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000593081325 449126332 /nfs/dbraw/zinc/12/63/32/449126332.db2.gz CHRTWHJXZJNYAC-CJNGLKHVSA-N 1 0 338.404 1.675 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000597858814 449126603 /nfs/dbraw/zinc/12/66/03/449126603.db2.gz PIOYHIUMNANZKD-LLVKDONJSA-N 1 0 349.387 1.969 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000593618665 449111343 /nfs/dbraw/zinc/11/13/43/449111343.db2.gz OETSIGYKZFWEGV-VXGBXAGGSA-N 1 0 339.367 1.190 20 5 EDBDRO C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C[C@H](C)[N@H+]1C ZINC000590146314 449111991 /nfs/dbraw/zinc/11/19/91/449111991.db2.gz YFBOBGBDPMPSIE-PHIMTYICSA-N 1 0 333.392 1.314 20 5 EDBDRO [NH3+]CC1(CCNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000593720560 449159453 /nfs/dbraw/zinc/15/94/53/449159453.db2.gz RLHAMXRPJOWOFC-UHFFFAOYSA-N 1 0 334.376 1.496 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000595780824 449161500 /nfs/dbraw/zinc/16/15/00/449161500.db2.gz ITWFWICYPXIMDI-LKTVYLICSA-N 1 0 349.387 1.824 20 5 EDBDRO O=C1[C@H]([NH2+][C@@H]2C[C@H](O)C23CCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595786102 449164612 /nfs/dbraw/zinc/16/46/12/449164612.db2.gz ZVVDCPDMUZSCCH-KFWWJZLASA-N 1 0 331.372 1.593 20 5 EDBDRO CN(CC[NH+]1CCCCC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593113979 449141692 /nfs/dbraw/zinc/14/16/92/449141692.db2.gz YTJCBHHEUDHUHR-INIZCTEOSA-N 1 0 337.420 1.752 20 5 EDBDRO COc1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000590403018 449149718 /nfs/dbraw/zinc/14/97/18/449149718.db2.gz WFTLWXTUJBDBRX-UKRRQHHQSA-N 1 0 349.387 1.539 20 5 EDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000590403217 449149731 /nfs/dbraw/zinc/14/97/31/449149731.db2.gz JMPWVWZAZOAPKD-MLGOLLRUSA-N 1 0 343.387 1.945 20 5 EDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000590577937 449199948 /nfs/dbraw/zinc/19/99/48/449199948.db2.gz JRJWZQCJEMXGKD-LBPRGKRZSA-N 1 0 336.392 1.945 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000590590466 449206789 /nfs/dbraw/zinc/20/67/89/449206789.db2.gz XMLNVKRISPAQOC-JSGCOSHPSA-N 1 0 341.433 1.925 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NCC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000597999953 449185187 /nfs/dbraw/zinc/18/51/87/449185187.db2.gz UATWVHRMMOSLQJ-LBPRGKRZSA-N 1 0 336.392 1.089 20 5 EDBDRO C[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000590631928 449228258 /nfs/dbraw/zinc/22/82/58/449228258.db2.gz IWDNSAZFUWHVRL-ZDUSSCGKSA-N 1 0 329.360 1.605 20 5 EDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000595908634 449246702 /nfs/dbraw/zinc/24/67/02/449246702.db2.gz ODFGOSBUBUJLSA-KWQFWETISA-N 1 0 334.298 1.743 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000595915691 449250923 /nfs/dbraw/zinc/25/09/23/449250923.db2.gz MCOAXHOXPDJYQI-UHFFFAOYSA-N 1 0 344.375 1.383 20 5 EDBDRO O=C([C@@H]1CCC[NH2+]CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000593902390 449273502 /nfs/dbraw/zinc/27/35/02/449273502.db2.gz SGJJWPQXGAQCLS-CYBMUJFWSA-N 1 0 333.392 1.028 20 5 EDBDRO O=C(NCc1ccccc1[N+](=O)[O-])c1cc(C2CC[NH2+]CC2)no1 ZINC000595920549 449254473 /nfs/dbraw/zinc/25/44/73/449254473.db2.gz UQHUCNDDTJBMHV-UHFFFAOYSA-N 1 0 330.344 1.980 20 5 EDBDRO C[NH+]1CCN(CCCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593390460 449259557 /nfs/dbraw/zinc/25/95/57/449259557.db2.gz CQLQNNRNEIUNFH-UHFFFAOYSA-N 1 0 338.383 1.030 20 5 EDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000600310960 449314411 /nfs/dbraw/zinc/31/44/11/449314411.db2.gz MBEIVIBPUIHBKU-GFCCVEGCSA-N 1 0 349.387 1.828 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000593906717 449277463 /nfs/dbraw/zinc/27/74/63/449277463.db2.gz RZNCGZZMKATGDK-NEPJUHHUSA-N 1 0 331.376 1.614 20 5 EDBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596060349 449341990 /nfs/dbraw/zinc/34/19/90/449341990.db2.gz ZSTJXAFKUYKERU-LLVKDONJSA-N 1 0 328.800 1.834 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)nc1 ZINC000593556368 449346725 /nfs/dbraw/zinc/34/67/25/449346725.db2.gz HWCJFKQJWFXGRM-LBPRGKRZSA-N 1 0 340.405 1.096 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000598341656 449356343 /nfs/dbraw/zinc/35/63/43/449356343.db2.gz FLDGCEROMDEIJQ-SNVBAGLBSA-N 1 0 325.340 1.957 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594108944 449358201 /nfs/dbraw/zinc/35/82/01/449358201.db2.gz JKBPZZSGWJLMQH-UONOGXRCSA-N 1 0 334.376 1.440 20 5 EDBDRO C[NH2+]C[C@@H](C)NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000596105254 449362891 /nfs/dbraw/zinc/36/28/91/449362891.db2.gz ILXZHBJBCJSUIS-SECBINFHSA-N 1 0 333.335 1.945 20 5 EDBDRO CC[C@H](C)[N@H+](C)CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596106053 449364457 /nfs/dbraw/zinc/36/44/57/449364457.db2.gz SQYDQZCWCZDHNZ-JTQLQIEISA-N 1 0 330.410 1.384 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[N@@H+]1CCC[C@H](C)C1 ZINC000593532127 449329147 /nfs/dbraw/zinc/32/91/47/449329147.db2.gz WSTZWGOCWHXTGP-RYUDHWBXSA-N 1 0 342.421 1.389 20 5 EDBDRO CCN(C(=O)NCc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CC[N@H+](C)C1 ZINC000596177162 449398378 /nfs/dbraw/zinc/39/83/78/449398378.db2.gz APNZBSUOVZCFLB-CQSZACIVSA-N 1 0 336.392 1.839 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598509250 449434292 /nfs/dbraw/zinc/43/42/92/449434292.db2.gz KMYWVSSBVUSFHA-HNNXBMFYSA-N 1 0 343.387 1.572 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000596307609 449467580 /nfs/dbraw/zinc/46/75/80/449467580.db2.gz NHOFREXZXAJUDK-NSHDSACASA-N 1 0 342.421 1.527 20 5 EDBDRO COC(=O)c1cc(C)nc(NC[C@H]2CC[N@@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000596309870 449469126 /nfs/dbraw/zinc/46/91/26/449469126.db2.gz YWHQAFHVHXNAFC-LLVKDONJSA-N 1 0 336.392 2.370 20 5 EDBDRO COC(=O)c1c(Cl)c(N[C@@H](CO)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596244054 449436126 /nfs/dbraw/zinc/43/61/26/449436126.db2.gz OFCJIHVSQSBELZ-MRVPVSSYSA-N 1 0 331.756 1.369 20 5 EDBDRO O=C(CC[C@@H]1CCC[NH2+]C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000598664649 449527031 /nfs/dbraw/zinc/52/70/31/449527031.db2.gz ILJOLPUYXYOXOF-ZDUSSCGKSA-N 1 0 335.408 1.735 20 5 EDBDRO COC(=O)COc1ccc(CN[C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600778278 449544559 /nfs/dbraw/zinc/54/45/59/449544559.db2.gz XORMJITVWNBVGX-WCQYABFASA-N 1 0 337.376 1.377 20 5 EDBDRO O=C(Nc1ccc(-c2ccc([N+](=O)[O-])nc2)cn1)[C@@H]1CCC[NH2+]C1 ZINC000600788512 449547052 /nfs/dbraw/zinc/54/70/52/449547052.db2.gz KZUUCOHUYMBWMO-CYBMUJFWSA-N 1 0 327.344 1.990 20 5 EDBDRO O=[N+]([O-])c1ccc2c(c1N1CCC([N@@H+]3CC[C@@H](O)C3)CC1)CCN2 ZINC000596541576 449547168 /nfs/dbraw/zinc/54/71/68/449547168.db2.gz ZLFZVMXWQGUDMN-CYBMUJFWSA-N 1 0 332.404 1.598 20 5 EDBDRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000596443754 449505423 /nfs/dbraw/zinc/50/54/23/449505423.db2.gz IXSZTFYHGYYVRI-UHFFFAOYSA-N 1 0 336.392 1.544 20 5 EDBDRO C[C@H]1C[C@@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])c2nccn21 ZINC000598633390 449509472 /nfs/dbraw/zinc/50/94/72/449509472.db2.gz LMIBTUXFRUMARV-WDEREUQCSA-N 1 0 345.363 1.536 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1 ZINC000594502553 449558572 /nfs/dbraw/zinc/55/85/72/449558572.db2.gz KZWHKRTZYICUMA-INIZCTEOSA-N 1 0 335.404 1.817 20 5 EDBDRO COC[C@]1(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCC[NH2+]1 ZINC000602493613 449630355 /nfs/dbraw/zinc/63/03/55/449630355.db2.gz XYOCVJSFFSOAJT-QGZVFWFLSA-N 1 0 347.415 1.901 20 5 EDBDRO CS(=O)(=O)N1CCC(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602524359 449650327 /nfs/dbraw/zinc/65/03/27/449650327.db2.gz CQXVRTDDNNIPSW-UHFFFAOYSA-N 1 0 341.433 1.399 20 5 EDBDRO C[NH2+]CCOCCN(C)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602543902 449663463 /nfs/dbraw/zinc/66/34/63/449663463.db2.gz CBHBPXGYPBKBEN-UHFFFAOYSA-N 1 0 335.404 1.711 20 5 EDBDRO O=C(NCC[NH+]1CCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000598977746 449678375 /nfs/dbraw/zinc/67/83/75/449678375.db2.gz CKVFLALRUOGVHM-UHFFFAOYSA-N 1 0 347.350 1.745 20 5 EDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598904059 449640092 /nfs/dbraw/zinc/64/00/92/449640092.db2.gz VJJXQVIMNMAIMC-FZMZJTMJSA-N 1 0 349.391 1.267 20 5 EDBDRO CN(CCC[NH+](C)C)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598903249 449640276 /nfs/dbraw/zinc/64/02/76/449640276.db2.gz VEJWETLZMIYNRD-UHFFFAOYSA-N 1 0 337.380 1.126 20 5 EDBDRO CO[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000594718001 449645190 /nfs/dbraw/zinc/64/51/90/449645190.db2.gz JWNJXVDWSMWLEU-SWLSCSKDSA-N 1 0 337.376 1.565 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2noc3ccccc23)c1 ZINC000594718136 449645383 /nfs/dbraw/zinc/64/53/83/449645383.db2.gz KBPWVEMRCDYJRS-GFCCVEGCSA-N 1 0 331.332 1.126 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000599066052 449715469 /nfs/dbraw/zinc/71/54/69/449715469.db2.gz OLXBKDAOTGQMFJ-KCPJHIHWSA-N 1 0 337.376 1.441 20 5 EDBDRO COCC[C@@H](COC)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602666822 449738723 /nfs/dbraw/zinc/73/87/23/449738723.db2.gz LNWIUVKPRXCQEK-AWEZNQCLSA-N 1 0 338.408 1.600 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000599102494 449734106 /nfs/dbraw/zinc/73/41/06/449734106.db2.gz OKQBDARDXMFXDF-AWEZNQCLSA-N 1 0 339.417 1.775 20 5 EDBDRO O=[N+]([O-])c1ccc2nccc(NC[C@@H](O)C[NH+]3CCCCC3)c2c1 ZINC000601104871 449691847 /nfs/dbraw/zinc/69/18/47/449691847.db2.gz JWQFBGGYJPSHKP-CQSZACIVSA-N 1 0 330.388 1.824 20 5 EDBDRO CNS(=O)(=O)c1ccc(N2CC[N@H+](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000601187003 449740639 /nfs/dbraw/zinc/74/06/39/449740639.db2.gz JZEZIFYQLWADGO-UHFFFAOYSA-N 1 0 342.421 1.033 20 5 EDBDRO C[C@H](C(=O)NCCCC[NH+]1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617698854 449743278 /nfs/dbraw/zinc/74/32/78/449743278.db2.gz XUGQGSACSDXAFD-HNNXBMFYSA-N 1 0 348.447 1.842 20 5 EDBDRO COC(=O)C[C@H]1CSCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602781605 449805579 /nfs/dbraw/zinc/80/55/79/449805579.db2.gz BJPMRLLPXRWHMX-NSHDSACASA-N 1 0 328.394 1.080 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000601337512 449845759 /nfs/dbraw/zinc/84/57/59/449845759.db2.gz BMOOQEKLRULVOZ-NSHDSACASA-N 1 0 345.396 1.662 20 5 EDBDRO CS[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000602809322 449823908 /nfs/dbraw/zinc/82/39/08/449823908.db2.gz PQDAGONOEJOCEK-OLZOCXBDSA-N 1 0 325.438 1.340 20 5 EDBDRO CC(C)c1ccc(C[NH2+]C[C@@]2(OCCO)CCOC2)cc1[N+](=O)[O-] ZINC000594975942 449827009 /nfs/dbraw/zinc/82/70/09/449827009.db2.gz XOQSRBOSZJJNDF-KRWDZBQOSA-N 1 0 338.404 1.976 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000602830204 449841691 /nfs/dbraw/zinc/84/16/91/449841691.db2.gz AQTRRJBBKQGNHK-AWEZNQCLSA-N 1 0 332.408 1.959 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601347429 449859620 /nfs/dbraw/zinc/85/96/20/449859620.db2.gz KKFYGCZSLQLJRW-TXEJJXNPSA-N 1 0 325.390 1.282 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601370554 449885029 /nfs/dbraw/zinc/88/50/29/449885029.db2.gz ZGXGAEJFPVDJCF-GWCFXTLKSA-N 1 0 345.396 1.613 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+][C@@H](C(C)C)C2)c([N+](=O)[O-])s1 ZINC000601344190 449853417 /nfs/dbraw/zinc/85/34/17/449853417.db2.gz VBDPCOGWWWFELD-SNVBAGLBSA-N 1 0 333.435 1.583 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000595221686 449955995 /nfs/dbraw/zinc/95/59/95/449955995.db2.gz OTWLDNQKFREQLQ-CHWSQXEVSA-N 1 0 329.360 1.285 20 5 EDBDRO CC[N@@H+]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000601438631 449959826 /nfs/dbraw/zinc/95/98/26/449959826.db2.gz DFZHMFBXUJXXPZ-LBPRGKRZSA-N 1 0 327.406 1.700 20 5 EDBDRO C[C@@](CO)([NH2+]CCC(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602962913 449964475 /nfs/dbraw/zinc/96/44/75/449964475.db2.gz QKWQXZIPUQDHSQ-KRWDZBQOSA-N 1 0 335.404 1.795 20 5 EDBDRO Cc1ccc(C(=O)NCCCN2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000609619839 450071742 /nfs/dbraw/zinc/07/17/42/450071742.db2.gz JTQZCZOTBZQSSQ-UHFFFAOYSA-N 1 0 334.420 1.661 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595357010 450071974 /nfs/dbraw/zinc/07/19/74/450071974.db2.gz WIGVJLZCCFTHLL-CQSZACIVSA-N 1 0 341.433 1.541 20 5 EDBDRO CNc1ccc(C(=O)NCCCN2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000609623843 450073374 /nfs/dbraw/zinc/07/33/74/450073374.db2.gz CCMIKEJSTZZFEX-UHFFFAOYSA-N 1 0 349.435 1.394 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCO[C@@H]3CC3(F)F)C2)nc1 ZINC000595373221 450086487 /nfs/dbraw/zinc/08/64/87/450086487.db2.gz YQBNVXSOAJHACA-CMPLNLGQSA-N 1 0 328.319 1.900 20 5 EDBDRO Cc1sc(S(=O)(=O)N[C@@H](C)c2nccn2C)cc1[N+](=O)[O-] ZINC000595382402 450096941 /nfs/dbraw/zinc/09/69/41/450096941.db2.gz HHMAXALELULCKF-ZETCQYMHSA-N 1 0 330.391 1.738 20 5 EDBDRO Cc1noc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595406336 450118804 /nfs/dbraw/zinc/11/88/04/450118804.db2.gz CBXDMXVKHXLULL-TZMCWYRMSA-N 1 0 337.424 1.349 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639097 450121252 /nfs/dbraw/zinc/12/12/52/450121252.db2.gz YCJSEQLRVLVABB-GRDNDAEWSA-N 1 0 336.388 1.429 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000610177406 450149741 /nfs/dbraw/zinc/14/97/41/450149741.db2.gz KEXLRLVJSMZEKY-RISCZKNCSA-N 1 0 349.387 1.778 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC000601737103 450201867 /nfs/dbraw/zinc/20/18/67/450201867.db2.gz DFTQLTVHZRWHAZ-UHFFFAOYSA-N 1 0 335.408 1.902 20 5 EDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000597701414 450208121 /nfs/dbraw/zinc/20/81/21/450208121.db2.gz SSBAVKVZNHZQHW-YMTOWFKASA-N 1 0 327.331 1.967 20 5 EDBDRO C[NH+](C)CC1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000597707911 450211802 /nfs/dbraw/zinc/21/18/02/450211802.db2.gz JHOMKEPOQJSWLK-UHFFFAOYSA-N 1 0 329.360 1.414 20 5 EDBDRO C[NH+](C)CC1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000597708497 450211911 /nfs/dbraw/zinc/21/19/11/450211911.db2.gz MVBHGHOHHTWSHO-UHFFFAOYSA-N 1 0 329.360 1.414 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCC1CS(=O)(=O)C1)C1CC1 ZINC000615761568 450225310 /nfs/dbraw/zinc/22/53/10/450225310.db2.gz HCPMVNQDOTVYIT-OAHLLOKOSA-N 1 0 338.429 1.940 20 5 EDBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595504095 450190430 /nfs/dbraw/zinc/19/04/30/450190430.db2.gz DZOXHJNEJNVOTD-QGZVFWFLSA-N 1 0 332.404 1.951 20 5 EDBDRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000619873549 450349377 /nfs/dbraw/zinc/34/93/77/450349377.db2.gz MHGPADXJBKBWIU-ZDUSSCGKSA-N 1 0 343.387 1.196 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](COC)C2CC2)c([N+](=O)[O-])c1 ZINC000183473421 528511702 /nfs/dbraw/zinc/51/17/02/528511702.db2.gz DJQSYFRSXRUFTK-CQSZACIVSA-N 1 0 337.376 1.947 20 5 EDBDRO CCOC1CC([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000271716234 535760144 /nfs/dbraw/zinc/76/01/44/535760144.db2.gz CBUZNHBXTXPADI-UHFFFAOYSA-N 1 0 343.405 1.030 20 5 EDBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC[N@@H+]1C[C@H](C)O ZINC000246958699 535840248 /nfs/dbraw/zinc/84/02/48/535840248.db2.gz SPBHBMBKPJDUMY-UONOGXRCSA-N 1 0 335.404 1.820 20 5 EDBDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000195140031 535953306 /nfs/dbraw/zinc/95/33/06/535953306.db2.gz WXIQXUUIYRBDSY-BONVTDFDSA-N 1 0 339.392 1.644 20 5 EDBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)n1 ZINC000261735444 536346185 /nfs/dbraw/zinc/34/61/85/536346185.db2.gz KQGJXQPNUBEZHQ-VIFPVBQESA-N 1 0 329.320 1.376 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@]2(C)CCCOC2)cc1[N+](=O)[O-] ZINC000353242162 536477375 /nfs/dbraw/zinc/47/73/75/536477375.db2.gz YCOBSBDVQNAQMR-MRXNPFEDSA-N 1 0 338.360 1.805 20 5 EDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000742241382 579445050 /nfs/dbraw/zinc/44/50/50/579445050.db2.gz UPOWMWYIRORVGS-CYBMUJFWSA-N 1 0 343.387 1.995 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2ncn(CN3CC[NH+](C4CCC4)CC3)n2)c1 ZINC000733296889 578758263 /nfs/dbraw/zinc/75/82/63/578758263.db2.gz SNLFHBLNDDKFMW-UHFFFAOYSA-N 1 0 342.403 1.981 20 5 EDBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736265353 578970102 /nfs/dbraw/zinc/97/01/02/578970102.db2.gz IHWSTPAHCGBNHN-WDEREUQCSA-N 1 0 346.395 1.702 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000761083026 580047512 /nfs/dbraw/zinc/04/75/12/580047512.db2.gz SFDSKTQYDOJXDB-NEPJUHHUSA-N 1 0 336.392 1.566 20 5 EDBDRO Cc1nn(CCC(=O)O[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000788114206 579214007 /nfs/dbraw/zinc/21/40/07/579214007.db2.gz DNNCIDKQVHRZFC-KBPBESRZSA-N 1 0 336.392 1.968 20 5 EDBDRO Cc1c(Br)c(N2CCC([NH3+])(CO)CC2)ncc1[N+](=O)[O-] ZINC000754031555 579894385 /nfs/dbraw/zinc/89/43/85/579894385.db2.gz VCHJJNJJZLVFMI-UHFFFAOYSA-N 1 0 345.197 1.351 20 5 EDBDRO COC(=O)C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000754518634 579905209 /nfs/dbraw/zinc/90/52/09/579905209.db2.gz GGOHBYKJTLHPOB-CQSZACIVSA-N 1 0 336.344 1.893 20 5 EDBDRO COC(=O)C[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000754535530 579905774 /nfs/dbraw/zinc/90/57/74/579905774.db2.gz HJUDGSXHZZVVSH-YGRLFVJLSA-N 1 0 335.360 1.853 20 5 EDBDRO COCC[C@](C)(O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766026733 580157018 /nfs/dbraw/zinc/15/70/18/580157018.db2.gz DPGUJJRWGOEKKJ-KRWDZBQOSA-N 1 0 337.420 1.941 20 5 EDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000771398500 580285833 /nfs/dbraw/zinc/28/58/33/580285833.db2.gz UIVDWTAHPOSKEM-NWDGAFQWSA-N 1 0 331.376 1.496 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000771793372 580294105 /nfs/dbraw/zinc/29/41/05/580294105.db2.gz BBLFNPGDQFCDIW-GXFFZTMASA-N 1 0 337.376 1.681 20 5 EDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000773535497 580340026 /nfs/dbraw/zinc/34/00/26/580340026.db2.gz UKPMBNSEHTZRAK-HQQUCIOCSA-N 1 0 330.388 1.114 20 5 EDBDRO O=C(CC[NH+]1CCC2(CNC(=O)O2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000782004398 580563724 /nfs/dbraw/zinc/56/37/24/580563724.db2.gz NPKJELCKLXRHDB-UHFFFAOYSA-N 1 0 348.359 1.498 20 5 EDBDRO CC(C)(C)[NH2+]CCNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000782117343 580566627 /nfs/dbraw/zinc/56/66/27/580566627.db2.gz IGISMLZFKDLZPL-UHFFFAOYSA-N 1 0 338.364 1.940 20 5 EDBDRO O=C(CC[N@H+]1CCSC[C@@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000782525002 580576869 /nfs/dbraw/zinc/57/68/69/580576869.db2.gz RLBDOISMPUPBLM-NSHDSACASA-N 1 0 343.380 1.472 20 5 EDBDRO CC(=O)OC1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000784204136 580615399 /nfs/dbraw/zinc/61/53/99/580615399.db2.gz LMAJKMRYRVCBGL-CYBMUJFWSA-N 1 0 338.360 1.362 20 5 EDBDRO C[NH+](C)CCCOC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000791877006 580804295 /nfs/dbraw/zinc/80/42/95/580804295.db2.gz WWWUEANHUSCMEK-UHFFFAOYSA-N 1 0 343.767 1.473 20 5 EDBDRO CC(C)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](O)c1ccccc1 ZINC000794603617 580899574 /nfs/dbraw/zinc/89/95/74/580899574.db2.gz LQQCBIYFYSGNAW-ULQDDVLXSA-N 1 0 348.403 1.500 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@]2(CO)CCOc3ccccc32)cc1 ZINC000799337767 581025861 /nfs/dbraw/zinc/02/58/61/581025861.db2.gz PIOXIOCNRCIZJK-FUHWJXTLSA-N 1 0 344.367 1.888 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000893117998 590669731 /nfs/dbraw/zinc/66/97/31/590669731.db2.gz AZWBGVFWLLGHDS-HNNXBMFYSA-N 1 0 345.403 1.897 20 5 EDBDRO CN1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+](C)CC1 ZINC000888991216 590976104 /nfs/dbraw/zinc/97/61/04/590976104.db2.gz SWIQBYRHAOXUOQ-UHFFFAOYSA-N 1 0 348.447 1.578 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891410415 591069711 /nfs/dbraw/zinc/06/97/11/591069711.db2.gz OYXZUTIOXTWMOO-LBPRGKRZSA-N 1 0 342.346 1.681 20 5 EDBDRO COc1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000894434790 591312425 /nfs/dbraw/zinc/31/24/25/591312425.db2.gz GRGNYRJWXGBALQ-ZDUSSCGKSA-N 1 0 336.392 1.690 20 5 EDBDRO CCc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000896553370 591518152 /nfs/dbraw/zinc/51/81/52/591518152.db2.gz BFYSHBDNKONXSN-BLLLJJGKSA-N 1 0 334.420 1.521 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c1C ZINC000897584617 591569200 /nfs/dbraw/zinc/56/92/00/591569200.db2.gz FSTRTZKXOPCPNH-QGZVFWFLSA-N 1 0 335.404 1.740 20 5 EDBDRO CN1CCN(CC(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000899218921 591736963 /nfs/dbraw/zinc/73/69/63/591736963.db2.gz MWCXKSBKWJUWTH-UHFFFAOYSA-N 1 0 329.360 1.329 20 5 EDBDRO Cn1c2cc([N+](=O)[O-])c(N3CC[C@@]4(C3)CCCC[NH2+]4)cc2n(C)c1=O ZINC000900401764 592008284 /nfs/dbraw/zinc/00/82/84/592008284.db2.gz IHVRXEMZPNNZPQ-QGZVFWFLSA-N 1 0 345.403 1.508 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000900810367 592132373 /nfs/dbraw/zinc/13/23/73/592132373.db2.gz HHYWLAWKNIHOQL-GJZGRUSLSA-N 1 0 348.447 1.884 20 5 EDBDRO CN1CCOC[C@@]1(CO)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000903278716 592150822 /nfs/dbraw/zinc/15/08/22/592150822.db2.gz NIGLFZKQHRKNQQ-ROUUACIJSA-N 1 0 349.431 1.645 20 5 EDBDRO C[NH2+]CCN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C(C)C ZINC000903572172 592225543 /nfs/dbraw/zinc/22/55/43/592225543.db2.gz GJFINWVZDGRHSK-UHFFFAOYSA-N 1 0 336.392 1.823 20 5 EDBDRO C[NH2+]CCN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000903574168 592226117 /nfs/dbraw/zinc/22/61/17/592226117.db2.gz UETRAESHBHHAOK-UHFFFAOYSA-N 1 0 329.422 1.298 20 5 EDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000903590288 592234668 /nfs/dbraw/zinc/23/46/68/592234668.db2.gz SJPLOMWLYXDYPJ-UHFFFAOYSA-N 1 0 329.422 1.830 20 5 EDBDRO C[NH+](C)CC1CN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC000908531260 592526234 /nfs/dbraw/zinc/52/62/34/592526234.db2.gz RRMJCFYBVVDKAC-UHFFFAOYSA-N 1 0 328.372 1.964 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](O)Cc2ccc(F)cc2)c1 ZINC000905470244 592544327 /nfs/dbraw/zinc/54/43/27/592544327.db2.gz CCYJSNSECSHPTP-IAGOWNOFSA-N 1 0 334.347 1.961 20 5 EDBDRO CNC(=O)c1ccc(NC[C@@H]2C[NH2+]CCC2(F)F)c([N+](=O)[O-])c1 ZINC000905678792 592609635 /nfs/dbraw/zinc/60/96/35/592609635.db2.gz RANQYQSWDPRSCK-JTQLQIEISA-N 1 0 328.319 1.611 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000838142061 593133603 /nfs/dbraw/zinc/13/36/03/593133603.db2.gz KUPWUMPIRCEBFL-LBPRGKRZSA-N 1 0 339.367 1.961 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H](O)c2ccco2)cc1 ZINC000783908763 593137310 /nfs/dbraw/zinc/13/73/10/593137310.db2.gz ASZGKGRLNCUYDG-CYBMUJFWSA-N 1 0 340.357 1.285 20 5 EDBDRO O=C(CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCCC1 ZINC000838784315 593216765 /nfs/dbraw/zinc/21/67/65/593216765.db2.gz PMVLNFMGUGKKGZ-UHFFFAOYSA-N 1 0 332.404 1.729 20 5 EDBDRO Cc1nn(CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000840134784 593252912 /nfs/dbraw/zinc/25/29/12/593252912.db2.gz PBQLHOFCKGSCAY-BETUJISGSA-N 1 0 347.419 1.597 20 5 EDBDRO O=C1NCCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000839194490 593274040 /nfs/dbraw/zinc/27/40/40/593274040.db2.gz AOXQZDPOEBDERQ-ZDUSSCGKSA-N 1 0 332.404 1.679 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000840150886 593298551 /nfs/dbraw/zinc/29/85/51/593298551.db2.gz AWUDSWNGHBQFRG-CYBMUJFWSA-N 1 0 346.387 1.563 20 5 EDBDRO CC(C)[C@](C)([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(N)=O ZINC000839600927 593347674 /nfs/dbraw/zinc/34/76/74/593347674.db2.gz KLYDEMXSOFARSU-AWEZNQCLSA-N 1 0 342.783 1.676 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000842682155 593574294 /nfs/dbraw/zinc/57/42/94/593574294.db2.gz NYIARNJXBSVGJL-UHFFFAOYSA-N 1 0 333.797 1.587 20 5 EDBDRO Nc1ccc(NCC(=O)NCC[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000814262503 593580862 /nfs/dbraw/zinc/58/08/62/593580862.db2.gz SHDLXRLKVCEDHD-UHFFFAOYSA-N 1 0 335.408 1.581 20 5 EDBDRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C2)C1 ZINC000815065939 593613059 /nfs/dbraw/zinc/61/30/59/593613059.db2.gz SUYQQUMXUWZTDT-CYBMUJFWSA-N 1 0 345.446 1.763 20 5 EDBDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819076267 593737423 /nfs/dbraw/zinc/73/74/23/593737423.db2.gz WWJRMMJUHGNILG-YCPHGPKFSA-N 1 0 335.404 1.865 20 5 EDBDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819076266 593737478 /nfs/dbraw/zinc/73/74/78/593737478.db2.gz WWJRMMJUHGNILG-IJEWVQPXSA-N 1 0 335.404 1.865 20 5 EDBDRO Cn1cc(N2CCC[C@@H]([NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000819103691 593739082 /nfs/dbraw/zinc/73/90/82/593739082.db2.gz GHTYXHUQUBVSGQ-PBHICJAKSA-N 1 0 345.403 1.620 20 5 EDBDRO CC1(C)OC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000819153751 593741804 /nfs/dbraw/zinc/74/18/04/593741804.db2.gz DHFAPLSFPDKASS-GFCCVEGCSA-N 1 0 344.389 1.110 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCN(c3cccnn3)CC2)c1 ZINC000819263575 593747398 /nfs/dbraw/zinc/74/73/98/593747398.db2.gz CARLBTLTYSOFLF-MRXNPFEDSA-N 1 0 343.387 1.677 20 5 EDBDRO CC(=O)Nc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000819272597 593747940 /nfs/dbraw/zinc/74/79/40/593747940.db2.gz ZUUWXWAYHWSBNB-HNNXBMFYSA-N 1 0 330.344 1.771 20 5 EDBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1(S(C)(=O)=O)CC1 ZINC000819304912 593749692 /nfs/dbraw/zinc/74/96/92/593749692.db2.gz KILMPRFFRIRMEV-MFKMUULPSA-N 1 0 328.390 1.184 20 5 EDBDRO CN(CCC[NH+](C)C)CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823921149 593887702 /nfs/dbraw/zinc/88/77/02/593887702.db2.gz PEGMDNFOKZJTMB-UHFFFAOYSA-N 1 0 338.412 1.182 20 5 EDBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823927472 593889604 /nfs/dbraw/zinc/88/96/04/593889604.db2.gz YVEVKJQKOHBZAX-QWRGUYRKSA-N 1 0 337.380 1.096 20 5 EDBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000824086411 593926057 /nfs/dbraw/zinc/92/60/57/593926057.db2.gz NZTHSBRTFAASBE-HUUCEWRRSA-N 1 0 345.403 1.789 20 5 EDBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821182669 593984813 /nfs/dbraw/zinc/98/48/13/593984813.db2.gz XEALTNXYWDUKRG-GFCCVEGCSA-N 1 0 331.380 1.695 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(-c3cn([C@@H]4CCC[NH2+]C4)nn3)n2)s1 ZINC000823069134 594147828 /nfs/dbraw/zinc/14/78/28/594147828.db2.gz GINOTLNGSCDVHQ-MRVPVSSYSA-N 1 0 347.360 1.889 20 5 EDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H](C[NH3+])c3ccc(F)cc3)n2)n1C ZINC000823093294 594151997 /nfs/dbraw/zinc/15/19/97/594151997.db2.gz CRQKDDAYXRWOPB-LLVKDONJSA-N 1 0 346.322 1.916 20 5 EDBDRO Cc1cc(-c2noc(-c3cn(CCCC[NH3+])nn3)n2)cc([N+](=O)[O-])c1 ZINC000823269030 594178555 /nfs/dbraw/zinc/17/85/55/594178555.db2.gz BUJBUNDHZMPTMI-UHFFFAOYSA-N 1 0 343.347 1.951 20 5 EDBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCC[NH+]1CCCCC1 ZINC000825451969 594187206 /nfs/dbraw/zinc/18/72/06/594187206.db2.gz CANPMZGZWDLZHF-UHFFFAOYSA-N 1 0 335.360 1.354 20 5 EDBDRO O=C1OCCN1C[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830124794 594340411 /nfs/dbraw/zinc/34/04/11/594340411.db2.gz PPXKHYBESDWVIF-WFASDCNBSA-N 1 0 335.360 1.402 20 5 EDBDRO CN1CC[NH+](C2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)CC1 ZINC000827450883 594673574 /nfs/dbraw/zinc/67/35/74/594673574.db2.gz ZVITVHJYCOCQNL-UHFFFAOYSA-N 1 0 347.419 1.029 20 5 EDBDRO CC[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000832378456 594746105 /nfs/dbraw/zinc/74/61/05/594746105.db2.gz RHULQZMNHAEIQL-UHFFFAOYSA-N 1 0 336.392 1.161 20 5 EDBDRO CN(CCC[NH3+])C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000841182294 594864717 /nfs/dbraw/zinc/86/47/17/594864717.db2.gz GORRRJGXDDFESH-UHFFFAOYSA-N 1 0 336.392 1.638 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000841293963 594882165 /nfs/dbraw/zinc/88/21/65/594882165.db2.gz FBRWYYGOUDZIHA-SNVBAGLBSA-N 1 0 338.339 1.239 20 5 EDBDRO C[C@H](NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000836283773 594946811 /nfs/dbraw/zinc/94/68/11/594946811.db2.gz NRIFCMFJWIPZDT-MAZHCROVSA-N 1 0 348.403 1.818 20 5 EDBDRO COCC[NH2+]CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841857052 594966566 /nfs/dbraw/zinc/96/65/66/594966566.db2.gz WVFQBFPYZFRUMX-UHFFFAOYSA-N 1 0 330.772 1.283 20 5 EDBDRO O=C(N[C@H]1CCC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841943817 594986912 /nfs/dbraw/zinc/98/69/12/594986912.db2.gz WLEZDUSOJHYWGC-ZDUSSCGKSA-N 1 0 333.392 1.178 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]1 ZINC000841985996 594995975 /nfs/dbraw/zinc/99/59/75/594995975.db2.gz IKAXOLBFCYPERZ-ZIAGYGMSSA-N 1 0 347.419 1.567 20 5 EDBDRO C/C(=C\C(=O)NCC[NH+]1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000837023207 595025292 /nfs/dbraw/zinc/02/52/92/595025292.db2.gz VNUGIZQKMFWSJT-OUKQBFOZSA-N 1 0 333.388 1.571 20 5 EDBDRO COCC[N@H+]1[C@H](C)CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000121578421 595039559 /nfs/dbraw/zinc/03/95/59/595039559.db2.gz INRANGGVMVGYNY-OKILXGFUSA-N 1 0 335.404 1.705 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843454558 595116490 /nfs/dbraw/zinc/11/64/90/595116490.db2.gz SJCPIQHLIVZGBI-UHFFFAOYSA-N 1 0 345.359 1.733 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843456503 595116994 /nfs/dbraw/zinc/11/69/94/595116994.db2.gz GANVSGWCCMRXGN-UHFFFAOYSA-N 1 0 330.348 1.550 20 5 EDBDRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000837482329 595121526 /nfs/dbraw/zinc/12/15/26/595121526.db2.gz XIDCUHFULPDSSP-AWEZNQCLSA-N 1 0 337.376 1.563 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000843485433 595125952 /nfs/dbraw/zinc/12/59/52/595125952.db2.gz ZVXUTSDWLWHQCD-MRVPVSSYSA-N 1 0 332.263 1.524 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000843503251 595133833 /nfs/dbraw/zinc/13/38/33/595133833.db2.gz JDSJWAFTDZELRI-CYBMUJFWSA-N 1 0 343.387 1.735 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)C2CC[NH2+]CC2)cc([N+](=O)[O-])c1F ZINC000842691181 595171518 /nfs/dbraw/zinc/17/15/18/595171518.db2.gz MWTAUTMRIWWUPD-UHFFFAOYSA-N 1 0 331.369 1.415 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000846233979 595182025 /nfs/dbraw/zinc/18/20/25/595182025.db2.gz FOPRKGZTVBBQCF-UHFFFAOYSA-N 1 0 347.824 1.916 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000842790531 595199897 /nfs/dbraw/zinc/19/98/97/595199897.db2.gz JIAOCIBIFLDUPA-VHSXEESVSA-N 1 0 347.824 1.914 20 5 EDBDRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000842794912 595201721 /nfs/dbraw/zinc/20/17/21/595201721.db2.gz BPZIXPADKDWRDU-UHFFFAOYSA-N 1 0 345.808 1.796 20 5 EDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[NH+]1CCC(O)CC1 ZINC000843901450 595212387 /nfs/dbraw/zinc/21/23/87/595212387.db2.gz KQMOFHITAYDSHL-UHFFFAOYSA-N 1 0 325.340 1.229 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000842870857 595220873 /nfs/dbraw/zinc/22/08/73/595220873.db2.gz GGLQDWAPMUZPEV-UHFFFAOYSA-N 1 0 343.380 1.498 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCCCC[NH3+] ZINC000842916997 595233985 /nfs/dbraw/zinc/23/39/85/595233985.db2.gz SDEAZSTZCBYPAG-UHFFFAOYSA-N 1 0 331.394 1.401 20 5 EDBDRO Cc1c(C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000848439497 595379606 /nfs/dbraw/zinc/37/96/06/595379606.db2.gz QSJLSUOXZRSFFZ-VIFPVBQESA-N 1 0 336.226 1.431 20 5 EDBDRO COCc1n[nH]c(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000850515284 595527175 /nfs/dbraw/zinc/52/71/75/595527175.db2.gz VKWSOQKKUSBZLJ-UHFFFAOYSA-N 1 0 346.391 1.618 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)NCC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000850592091 595542524 /nfs/dbraw/zinc/54/25/24/595542524.db2.gz HFTUMQKWVARWIR-UHFFFAOYSA-N 1 0 345.808 1.587 20 5 EDBDRO CC12CC(C1)C[N@@H+]2CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852787301 595542498 /nfs/dbraw/zinc/54/24/98/595542498.db2.gz UWGUMXXLGBDAKE-UHFFFAOYSA-N 1 0 344.415 1.728 20 5 EDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857770108 595603175 /nfs/dbraw/zinc/60/31/75/595603175.db2.gz UYDAEGNOMYBMBS-VXGBXAGGSA-N 1 0 329.303 1.953 20 5 EDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000852922307 595616144 /nfs/dbraw/zinc/61/61/44/595616144.db2.gz WYKOEYYBEMZXRU-ZCFIWIBFSA-N 1 0 334.145 1.834 20 5 EDBDRO Cc1nn(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000853526336 595785866 /nfs/dbraw/zinc/78/58/66/595785866.db2.gz YAUSBHVCIQREIM-CYBMUJFWSA-N 1 0 341.375 1.824 20 5 EDBDRO C[C@@]12COC[C@@H]1C[N@H+](Cn1cnc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000853565380 595806650 /nfs/dbraw/zinc/80/66/50/595806650.db2.gz DYVFYQRKSXIWJF-XJKSGUPXSA-N 1 0 329.360 1.779 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@]2(OCCO)CCOC2)c1 ZINC000850357847 595817033 /nfs/dbraw/zinc/81/70/33/595817033.db2.gz AIKXMNVZIFUCCA-CQSZACIVSA-N 1 0 330.768 1.506 20 5 EDBDRO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000858583613 595834642 /nfs/dbraw/zinc/83/46/42/595834642.db2.gz DUUFTZKELRWMJD-GHMZBOCLSA-N 1 0 338.364 1.310 20 5 EDBDRO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861716312 596078624 /nfs/dbraw/zinc/07/86/24/596078624.db2.gz RANQCDYURDCRKZ-GHMZBOCLSA-N 1 0 339.779 1.529 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866827434 596368517 /nfs/dbraw/zinc/36/85/17/596368517.db2.gz MPZHFAKPMMDJRL-QWRGUYRKSA-N 1 0 329.353 1.249 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1C ZINC000866831897 596370824 /nfs/dbraw/zinc/37/08/24/596370824.db2.gz UUFAXMTVYMUWDD-STQMWFEESA-N 1 0 339.417 1.727 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CC1 ZINC000870926388 596408677 /nfs/dbraw/zinc/40/86/77/596408677.db2.gz BGMLRDYFFGFCFJ-PBHICJAKSA-N 1 0 334.420 1.711 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000867811229 596562597 /nfs/dbraw/zinc/56/25/97/596562597.db2.gz AXHFAKLVFXQFHW-JQWIXIFHSA-N 1 0 343.380 1.449 20 5 EDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000869780117 596631957 /nfs/dbraw/zinc/63/19/57/596631957.db2.gz OSJICANKECLPGU-AWEZNQCLSA-N 1 0 335.404 1.489 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000868034697 596662611 /nfs/dbraw/zinc/66/26/11/596662611.db2.gz HYMLESBWDRSEBW-RISCZKNCSA-N 1 0 337.351 1.713 20 5 EDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)CN1CCOCC1 ZINC000866231696 596834821 /nfs/dbraw/zinc/83/48/21/596834821.db2.gz HTSOGJSRWXBPDH-CHWSQXEVSA-N 1 0 325.384 1.975 20 5 EDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000866387760 596872886 /nfs/dbraw/zinc/87/28/86/596872886.db2.gz WMUUVYOAQKGACV-ZWNOBZJWSA-N 1 0 333.367 1.941 20 5 EDBDRO CC(C)Oc1nc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000872758314 597060173 /nfs/dbraw/zinc/06/01/73/597060173.db2.gz XTSWTKGNEPATDH-QWHCGFSZSA-N 1 0 336.392 1.422 20 5 EDBDRO CCN(CCC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000873020809 597162381 /nfs/dbraw/zinc/16/23/81/597162381.db2.gz BBCRHXXWNSDNIK-UHFFFAOYSA-N 1 0 343.449 1.973 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000125163929 597189672 /nfs/dbraw/zinc/18/96/72/597189672.db2.gz RYEWUDYJSWPORS-ZJUUUORDSA-N 1 0 333.797 1.796 20 5 EDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCS(=O)(=O)C2CCOCC2)cc1 ZINC000877568130 597537122 /nfs/dbraw/zinc/53/71/22/597537122.db2.gz YUTNQJNTNHJBTC-UHFFFAOYSA-N 1 0 342.417 1.321 20 5 EDBDRO COc1ccc([C@H]2CN(CCn3cc([N+](=O)[O-])cn3)CC[NH2+]2)cc1 ZINC000879521731 597616292 /nfs/dbraw/zinc/61/62/92/597616292.db2.gz QSXUOFPRRSXOKU-MRXNPFEDSA-N 1 0 331.376 1.446 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879574415 597637149 /nfs/dbraw/zinc/63/71/49/597637149.db2.gz CIGPLZGTQNZUQK-DOMZBBRYSA-N 1 0 348.403 1.568 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000879576702 597639529 /nfs/dbraw/zinc/63/95/29/597639529.db2.gz XDGSEWPGHRVZMU-HOCLYGCPSA-N 1 0 344.415 1.510 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000880136241 597852550 /nfs/dbraw/zinc/85/25/50/597852550.db2.gz IJLJVIAEVHXRAE-QLFBSQMISA-N 1 0 335.404 1.503 20 5 EDBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(-c2nn[nH]n2)c1 ZINC000738369295 598499288 /nfs/dbraw/zinc/49/92/88/598499288.db2.gz KKVNLHPJAYVYHV-RYUDHWBXSA-N 1 0 330.352 1.209 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000915279685 695778239 /nfs/dbraw/zinc/77/82/39/695778239.db2.gz ZNIAYCDXRBWEPX-CQSZACIVSA-N 1 0 331.376 1.545 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000915621610 695958088 /nfs/dbraw/zinc/95/80/88/695958088.db2.gz LMNBQMZUKWCYHL-AWEZNQCLSA-N 1 0 336.392 1.307 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000918581334 697184057 /nfs/dbraw/zinc/18/40/57/697184057.db2.gz NFOHPDUPBAGQOL-CABCVRRESA-N 1 0 343.387 1.688 20 5 EDBDRO CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)N1CCOCC1 ZINC000921002527 697500225 /nfs/dbraw/zinc/50/02/25/697500225.db2.gz OBXMTSSYPQJZAN-HNNXBMFYSA-N 1 0 339.367 1.821 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2coc(C3CC3)n2)CC1 ZINC000996442008 702771350 /nfs/dbraw/zinc/77/13/50/702771350.db2.gz UGNYYEHDGYVSAK-ZIAGYGMSSA-N 1 0 334.376 1.298 20 5 EDBDRO COCc1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000996429934 702783721 /nfs/dbraw/zinc/78/37/21/702783721.db2.gz XBJRFLVVQPLDNU-IAGOWNOFSA-N 1 0 347.415 1.579 20 5 EDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCN(Cc2cncc(F)c2)CC1 ZINC001005378421 708839457 /nfs/dbraw/zinc/83/94/57/708839457.db2.gz KQCZNHDYUUQLLU-HUUCEWRRSA-N 1 0 336.367 1.309 20 5 EDBDRO O=C(Cc1c[nH]cn1)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001003701166 710495273 /nfs/dbraw/zinc/49/52/73/710495273.db2.gz PCWPAMGAPUYNHX-UHFFFAOYSA-N 1 0 343.387 1.641 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CC[C@H](NC(=O)c2cnco2)CC1 ZINC001034702901 710810633 /nfs/dbraw/zinc/81/06/33/710810633.db2.gz XKUYFMWYIFTZJM-XYPYZODXSA-N 1 0 348.363 1.147 20 5 EDBDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])C1CC1 ZINC000187466344 530000611 /nfs/dbraw/zinc/00/06/11/530000611.db2.gz HWLZYKJSZFERCI-AWEZNQCLSA-N 1 0 343.387 1.958 20 5 EDBDRO O=Cc1ccc(OCC(=O)N2CCC[N@@H+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000068323400 215300136 /nfs/dbraw/zinc/30/01/36/215300136.db2.gz KBEHFMWGXWSDKL-UHFFFAOYSA-N 1 0 347.371 1.483 20 5 EDBDRO C[NH+](C)C1CCN(CCNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183610171 235162483 /nfs/dbraw/zinc/16/24/83/235162483.db2.gz ZZYUAEAEISCVOJ-UHFFFAOYSA-N 1 0 336.396 1.137 20 5 EDBDRO O=C(NC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000047860533 138123401 /nfs/dbraw/zinc/12/34/01/138123401.db2.gz SNAWFEIKMPZKPR-UHFFFAOYSA-N 1 0 333.388 1.964 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000065867831 138174731 /nfs/dbraw/zinc/17/47/31/138174731.db2.gz MFMUWYKQMKLWAP-ZDUSSCGKSA-N 1 0 337.424 1.871 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2ccsc2)c1 ZINC000065978380 138175567 /nfs/dbraw/zinc/17/55/67/138175567.db2.gz WPUZKWUDHZNJON-UHFFFAOYSA-N 1 0 341.414 1.724 20 5 EDBDRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000090394466 138278212 /nfs/dbraw/zinc/27/82/12/138278212.db2.gz JXHVLRWUYKEAML-DGCLKSJQSA-N 1 0 331.376 1.998 20 5 EDBDRO Cc1nn(C)c(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000098100408 138297761 /nfs/dbraw/zinc/29/77/61/138297761.db2.gz UYFUFTOVWOAIGJ-CYBMUJFWSA-N 1 0 349.366 1.809 20 5 EDBDRO O=C(NC1CC[NH+](CCc2ccncc2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000130293137 138340579 /nfs/dbraw/zinc/34/05/79/138340579.db2.gz OEPAPUACVAPBDZ-UHFFFAOYSA-N 1 0 344.375 1.150 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCCc3ccc(F)cc32)c1 ZINC000563882093 306351310 /nfs/dbraw/zinc/35/13/10/306351310.db2.gz RBFIUHMGUCPHEB-ZBFHGGJFSA-N 1 0 334.351 1.959 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc3ccccc3n2)c1 ZINC000564321040 306358110 /nfs/dbraw/zinc/35/81/10/306358110.db2.gz BWLVGBVJPSUCIH-OAHLLOKOSA-N 1 0 327.344 1.490 20 5 EDBDRO C[C@@H]1CCCN(C(C)(C)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000564846974 306367185 /nfs/dbraw/zinc/36/71/85/306367185.db2.gz GHFJIUZFYBYEEC-HIFRSBDPSA-N 1 0 339.440 1.252 20 5 EDBDRO CN(C(=O)CN1CC[NH2+]C[C@H]1C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000564986480 306372274 /nfs/dbraw/zinc/37/22/74/306372274.db2.gz PMBFMCLVXWAHFG-LBPRGKRZSA-N 1 0 328.319 1.097 20 5 EDBDRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000055240974 201133430 /nfs/dbraw/zinc/13/34/30/201133430.db2.gz PSYFEVWAKXPNEG-LLVKDONJSA-N 1 0 345.396 1.744 20 5 EDBDRO O=C1NCCN1C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065535557 201155441 /nfs/dbraw/zinc/15/54/41/201155441.db2.gz NRWKQVBSZRTJLK-UHFFFAOYSA-N 1 0 334.376 1.463 20 5 EDBDRO COC(=O)c1cc(NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000566228308 306404597 /nfs/dbraw/zinc/40/45/97/306404597.db2.gz ZJAUAEIQSJPTAW-BDAKNGLRSA-N 1 0 338.364 1.937 20 5 EDBDRO CCOc1cc(NC(=O)NCC2C[NH2+]C2)c([N+](=O)[O-])cc1OCC ZINC000414759689 304137755 /nfs/dbraw/zinc/13/77/55/304137755.db2.gz OWOHQSMVYQPWKA-UHFFFAOYSA-N 1 0 338.364 1.733 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000193733009 138977122 /nfs/dbraw/zinc/97/71/22/138977122.db2.gz HTORUOFBVMYOCC-UHFFFAOYSA-N 1 0 334.376 1.394 20 5 EDBDRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000103449554 204079506 /nfs/dbraw/zinc/07/95/06/204079506.db2.gz TXLXTOMINOOZOY-UHFFFAOYSA-N 1 0 348.403 1.221 20 5 EDBDRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000103633690 204084634 /nfs/dbraw/zinc/08/46/34/204084634.db2.gz UWLBHAUYLMLJHR-UHFFFAOYSA-N 1 0 334.376 1.334 20 5 EDBDRO C[NH+]1CCC(CCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000102640355 204045138 /nfs/dbraw/zinc/04/51/38/204045138.db2.gz XTZQPPGYYNLTBG-UHFFFAOYSA-N 1 0 339.367 1.961 20 5 EDBDRO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000104748011 204118814 /nfs/dbraw/zinc/11/88/14/204118814.db2.gz IUDFTFPCKRWHFG-SNVBAGLBSA-N 1 0 347.824 1.820 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000105168773 204136250 /nfs/dbraw/zinc/13/62/50/204136250.db2.gz HQAMRYQFVUEDII-NSHDSACASA-N 1 0 336.392 1.885 20 5 EDBDRO C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[N@H+](C)C1CC1 ZINC000111599700 204363112 /nfs/dbraw/zinc/36/31/12/204363112.db2.gz MMFZASWZROSHHB-JTQLQIEISA-N 1 0 344.371 1.649 20 5 EDBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000236853043 139033534 /nfs/dbraw/zinc/03/35/34/139033534.db2.gz YCJUJZLCVFFGPH-UHFFFAOYSA-N 1 0 331.394 1.399 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000237077155 139039881 /nfs/dbraw/zinc/03/98/81/139039881.db2.gz ILBPSCIKJFIGTQ-CYBMUJFWSA-N 1 0 343.387 1.852 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000237242717 139045485 /nfs/dbraw/zinc/04/54/85/139045485.db2.gz UQLQBTPMQHYUII-FUNVUKJBSA-N 1 0 339.417 1.807 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000130052864 205221955 /nfs/dbraw/zinc/22/19/55/205221955.db2.gz DGMXBHWOVCUECS-CYBMUJFWSA-N 1 0 341.433 1.252 20 5 EDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000237898347 139063337 /nfs/dbraw/zinc/06/33/37/139063337.db2.gz MZOAKNPTARPXGW-FZMZJTMJSA-N 1 0 344.375 1.423 20 5 EDBDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000136940427 205517025 /nfs/dbraw/zinc/51/70/25/205517025.db2.gz POSKLIDIDBZFPT-CYBMUJFWSA-N 1 0 333.388 1.826 20 5 EDBDRO O=C(CCC1CC[NH2+]CC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237948961 139064809 /nfs/dbraw/zinc/06/48/09/139064809.db2.gz LYNBAAOXTCDABA-AWEZNQCLSA-N 1 0 347.419 1.782 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000156635399 206091144 /nfs/dbraw/zinc/09/11/44/206091144.db2.gz XIXCUWCZWPUFLW-YPMHNXCESA-N 1 0 329.360 1.568 20 5 EDBDRO Cn1cc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000157080675 206115223 /nfs/dbraw/zinc/11/52/23/206115223.db2.gz UWMRTQIIBORWIU-GFCCVEGCSA-N 1 0 329.360 1.303 20 5 EDBDRO C[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)[C@H]1c1ccccc1 ZINC000246000281 139092121 /nfs/dbraw/zinc/09/21/21/139092121.db2.gz YCQKUUWEULTMGZ-LSDHHAIUSA-N 1 0 342.355 1.871 20 5 EDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415332711 304196378 /nfs/dbraw/zinc/19/63/78/304196378.db2.gz NVSMVUFYUYPVMQ-SECBINFHSA-N 1 0 340.767 1.303 20 5 EDBDRO COC(=O)c1cnc(N2CCC([C@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC000420213189 284598092 /nfs/dbraw/zinc/59/80/92/284598092.db2.gz HGVWNBQZFIOQAV-CYBMUJFWSA-N 1 0 334.376 1.745 20 5 EDBDRO C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000247295821 139144024 /nfs/dbraw/zinc/14/40/24/139144024.db2.gz FGGGVRFUOQNUQB-BLLLJJGKSA-N 1 0 343.387 1.973 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000415389304 304211787 /nfs/dbraw/zinc/21/17/87/304211787.db2.gz SLVRPWPDVQESMW-NSHDSACASA-N 1 0 334.376 1.428 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000415388350 304211637 /nfs/dbraw/zinc/21/16/37/304211637.db2.gz RQCOSBOOZPPMQK-LLVKDONJSA-N 1 0 334.376 1.428 20 5 EDBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1COc2ccccc21 ZINC000248576347 139167972 /nfs/dbraw/zinc/16/79/72/139167972.db2.gz HLRQENAAPMFFCC-NJZAAPMLSA-N 1 0 332.360 1.307 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248560566 139167428 /nfs/dbraw/zinc/16/74/28/139167428.db2.gz AUHRDOZSPMTKTQ-SRVKXCTJSA-N 1 0 325.390 1.261 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248560564 139167454 /nfs/dbraw/zinc/16/74/54/139167454.db2.gz AUHRDOZSPMTKTQ-SDDRHHMPSA-N 1 0 325.390 1.261 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000248560562 139167516 /nfs/dbraw/zinc/16/75/16/139167516.db2.gz AUHRDOZSPMTKTQ-QJPTWQEYSA-N 1 0 325.390 1.261 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000261827091 139229680 /nfs/dbraw/zinc/22/96/80/139229680.db2.gz BFWAFSFMNXNYKJ-LBPRGKRZSA-N 1 0 327.406 1.653 20 5 EDBDRO COCC1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CC[NH2+]CC1 ZINC000261897064 139234993 /nfs/dbraw/zinc/23/49/93/139234993.db2.gz OJMLGWIHTGVBRU-UHFFFAOYSA-N 1 0 325.340 1.480 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000261916869 139236700 /nfs/dbraw/zinc/23/67/00/139236700.db2.gz HDIJXHPRNULRHJ-DGCLKSJQSA-N 1 0 327.406 1.484 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000415488487 304224287 /nfs/dbraw/zinc/22/42/87/304224287.db2.gz IDZCIZQDRPAYJW-CYBMUJFWSA-N 1 0 334.376 1.306 20 5 EDBDRO COc1cc(CNC[C@H](C)C[NH3+])c([N+](=O)[O-])cc1OCC(F)F ZINC000414873235 250872918 /nfs/dbraw/zinc/87/29/18/250872918.db2.gz GUCCQJRKWLCCOJ-SECBINFHSA-N 1 0 333.335 1.932 20 5 EDBDRO CC[C@@H](NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000262127778 139253251 /nfs/dbraw/zinc/25/32/51/139253251.db2.gz NSPKIMFRHDHUPR-HIFRSBDPSA-N 1 0 336.392 1.262 20 5 EDBDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C[NH2+]1 ZINC000415568397 304227296 /nfs/dbraw/zinc/22/72/96/304227296.db2.gz QUMSVEDLIVRXJI-RKDXNWHRSA-N 1 0 340.767 1.396 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)cc1C ZINC000262291973 139267320 /nfs/dbraw/zinc/26/73/20/139267320.db2.gz NHNPSRQBDUGLQA-CYBMUJFWSA-N 1 0 329.422 1.863 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000175442346 207128724 /nfs/dbraw/zinc/12/87/24/207128724.db2.gz DXLKGYQDKDVBJK-KBPBESRZSA-N 1 0 348.403 1.314 20 5 EDBDRO CO[C@@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000417774599 251265039 /nfs/dbraw/zinc/26/50/39/251265039.db2.gz ZPKQJYUZJFRMJY-ZIAGYGMSSA-N 1 0 336.392 1.285 20 5 EDBDRO C[C@H]1[NH2+]CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@H]1C ZINC000262718418 139298675 /nfs/dbraw/zinc/29/86/75/139298675.db2.gz FAZBEHVBBHXQGU-NEPJUHHUSA-N 1 0 329.360 1.603 20 5 EDBDRO CN(C1(C[NH3+])CCC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000420436548 251722494 /nfs/dbraw/zinc/72/24/94/251722494.db2.gz BANFBFCFAQEIJN-UHFFFAOYSA-N 1 0 333.797 1.750 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000422763354 251969734 /nfs/dbraw/zinc/96/97/34/251969734.db2.gz NICPEGQQODTTDL-CYBMUJFWSA-N 1 0 348.403 1.139 20 5 EDBDRO COC(=O)c1cc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000423515650 252057564 /nfs/dbraw/zinc/05/75/64/252057564.db2.gz FXIFCVAHNLXOQM-INIZCTEOSA-N 1 0 335.360 1.501 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000422993330 252023188 /nfs/dbraw/zinc/02/31/88/252023188.db2.gz FLXPYKMYRXEYNA-OAHLLOKOSA-N 1 0 343.387 1.988 20 5 EDBDRO COC(=O)c1cc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000424082453 252127220 /nfs/dbraw/zinc/12/72/20/252127220.db2.gz XJNWHVARWPJFPG-MJVIPROJSA-N 1 0 349.387 1.827 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423995726 252109693 /nfs/dbraw/zinc/10/96/93/252109693.db2.gz JOIBYASCMYUGFV-RISCZKNCSA-N 1 0 349.387 1.828 20 5 EDBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC2(CC[NH2+]2)CC1 ZINC000424051168 252125626 /nfs/dbraw/zinc/12/56/26/252125626.db2.gz IDQKMKNKFWSDHC-UHFFFAOYSA-N 1 0 347.371 1.263 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424286405 252189269 /nfs/dbraw/zinc/18/92/69/252189269.db2.gz GKELRBRHPZAHMN-JKSUJKDBSA-N 1 0 345.403 1.654 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000173336405 533066983 /nfs/dbraw/zinc/06/69/83/533066983.db2.gz RFWSPKYGAONPDE-ZYHUDNBSSA-N 1 0 343.405 1.399 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000321982199 285165426 /nfs/dbraw/zinc/16/54/26/285165426.db2.gz MQUNTBAZJAFIDI-CHWSQXEVSA-N 1 0 339.417 1.748 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000415722908 304261509 /nfs/dbraw/zinc/26/15/09/304261509.db2.gz INIXKDWMJKIFMX-JOCQHMNTSA-N 1 0 348.403 1.723 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000114210437 220655183 /nfs/dbraw/zinc/65/51/83/220655183.db2.gz OHUVOQBHMBZMTF-SNVBAGLBSA-N 1 0 347.824 1.820 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491508308 255127336 /nfs/dbraw/zinc/12/73/36/255127336.db2.gz WYWQUWZVHSVHAC-WAVCKPEOSA-N 1 0 333.388 1.835 20 5 EDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000493456336 255209664 /nfs/dbraw/zinc/20/96/64/255209664.db2.gz QSPHELVRWDNQPG-FSNWXROXSA-N 1 0 333.388 1.571 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000493107790 255191775 /nfs/dbraw/zinc/19/17/75/255191775.db2.gz QMEQTLLCZKHWNL-YFCVBGDOSA-N 1 0 345.399 1.822 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415845666 304281096 /nfs/dbraw/zinc/28/10/96/304281096.db2.gz WUSWIMQMRDJOIH-BDJLRTHQSA-N 1 0 334.376 1.285 20 5 EDBDRO COC(=O)[C@@H]1CC12CC[NH+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000270606636 140133066 /nfs/dbraw/zinc/13/30/66/140133066.db2.gz XYXWKUGSLBBZDS-ZDUSSCGKSA-N 1 0 335.360 1.032 20 5 EDBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc2c(c1)CC(=O)N2C ZINC000271861231 140362482 /nfs/dbraw/zinc/36/24/82/140362482.db2.gz UHMUJWLYIOCPSZ-LLVKDONJSA-N 1 0 329.360 1.661 20 5 EDBDRO C[N@H+]1CC=C(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000272029729 140389867 /nfs/dbraw/zinc/38/98/67/140389867.db2.gz WILCYKRAWKKRLT-UHFFFAOYSA-N 1 0 341.371 1.772 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000416304377 304308034 /nfs/dbraw/zinc/30/80/34/304308034.db2.gz USYBTBZXFIFMRK-UHFFFAOYSA-N 1 0 329.360 1.605 20 5 EDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000326819557 140665439 /nfs/dbraw/zinc/66/54/39/140665439.db2.gz GIKVGYGRVLIHDZ-DWTRPJMMSA-N 1 0 330.388 1.114 20 5 EDBDRO Cc1[nH]nc(C(=O)N2CCC[C@@H](Cc3nccn3C)C2)c1[N+](=O)[O-] ZINC000331454856 141032369 /nfs/dbraw/zinc/03/23/69/141032369.db2.gz ZVWVDQMIOQVRON-NSHDSACASA-N 1 0 332.364 1.455 20 5 EDBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2CCC(=O)NC2(C)C)cccc1[N+](=O)[O-] ZINC000338592641 141840523 /nfs/dbraw/zinc/84/05/23/141840523.db2.gz MIPJCZJGZNSSBD-CQSZACIVSA-N 1 0 348.403 1.879 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000342691385 142746012 /nfs/dbraw/zinc/74/60/12/142746012.db2.gz HMGWMLRCGPRXRS-SCRDCRAPSA-N 1 0 333.392 1.391 20 5 EDBDRO CN(C)S(=O)(=O)c1ccc(NCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000345337548 143079867 /nfs/dbraw/zinc/07/98/67/143079867.db2.gz YJCIXZUDUGKLOV-UHFFFAOYSA-N 1 0 342.421 1.353 20 5 EDBDRO Cc1noc([C@H]2CC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)n1 ZINC000346249916 143183507 /nfs/dbraw/zinc/18/35/07/143183507.db2.gz XXYIHUZPJHPAMT-STQMWFEESA-N 1 0 348.359 1.515 20 5 EDBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000347070934 143278943 /nfs/dbraw/zinc/27/89/43/143278943.db2.gz DUHYPBYKSHOOSB-TZMCWYRMSA-N 1 0 343.387 1.894 20 5 EDBDRO CNc1c(C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000347228957 143297564 /nfs/dbraw/zinc/29/75/64/143297564.db2.gz ZRYHCNNGLRHVKG-WCQYABFASA-N 1 0 336.392 1.164 20 5 EDBDRO CCOc1ccc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000347765677 143360314 /nfs/dbraw/zinc/36/03/14/143360314.db2.gz ABHGOVHUDIZCIW-ZBFHGGJFSA-N 1 0 349.387 1.539 20 5 EDBDRO NC(=O)CCC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000347946970 143382376 /nfs/dbraw/zinc/38/23/76/143382376.db2.gz KXSQNKWWCNJEEI-UHFFFAOYSA-N 1 0 334.376 1.171 20 5 EDBDRO CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000369750774 155161551 /nfs/dbraw/zinc/16/15/51/155161551.db2.gz QUNLWVBOKRLJQW-CYBMUJFWSA-N 1 0 343.387 1.995 20 5 EDBDRO C[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000573136415 306612975 /nfs/dbraw/zinc/61/29/75/306612975.db2.gz YFLBOGTVQKIQQF-LBPRGKRZSA-N 1 0 331.376 1.844 20 5 EDBDRO COc1cc(C[NH2+][C@H](C)CC(N)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000352812045 149177265 /nfs/dbraw/zinc/17/72/65/149177265.db2.gz XSELBUDQEZWWKL-MRVPVSSYSA-N 1 0 347.318 1.601 20 5 EDBDRO C[C@@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000352998439 149246437 /nfs/dbraw/zinc/24/64/37/149246437.db2.gz ROJZZHISEVHADR-OCCSQVGLSA-N 1 0 348.403 1.375 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)[C@@H](C)OC)cc1[N+](=O)[O-] ZINC000353132583 149298297 /nfs/dbraw/zinc/29/82/97/149298297.db2.gz WDFPZYGWDUUHRK-WDEREUQCSA-N 1 0 326.349 1.660 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]CC2CCOCC2)cc1[N+](=O)[O-] ZINC000353754932 149514496 /nfs/dbraw/zinc/51/44/96/149514496.db2.gz BHOWXOCKASUKBF-UHFFFAOYSA-N 1 0 338.360 1.663 20 5 EDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000355745363 150383146 /nfs/dbraw/zinc/38/31/46/150383146.db2.gz ZTXJENOWKIABEU-RHSMWYFYSA-N 1 0 346.431 1.974 20 5 EDBDRO COc1cc(C(=O)NCC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000106365855 286201233 /nfs/dbraw/zinc/20/12/33/286201233.db2.gz IZUQEEAJUJWYFY-NSHDSACASA-N 1 0 337.376 1.732 20 5 EDBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CS(=O)(=O)CCO2)cccc1[N+](=O)[O-] ZINC000358297779 151329932 /nfs/dbraw/zinc/32/99/32/151329932.db2.gz JZVXTZBPTJZHAV-NEPJUHHUSA-N 1 0 328.390 1.367 20 5 EDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000370079633 155314630 /nfs/dbraw/zinc/31/46/30/155314630.db2.gz FPENMLCAZSYTFV-XJKCOSOUSA-N 1 0 332.404 1.948 20 5 EDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2C[C@@H]2C2CC[NH2+]CC2)c1 ZINC000360006261 151883172 /nfs/dbraw/zinc/88/31/72/151883172.db2.gz LJXWZFYRCXLINR-CABCVRRESA-N 1 0 339.417 1.402 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000360571461 152102243 /nfs/dbraw/zinc/10/22/43/152102243.db2.gz UZTMNSDRARVPON-INIZCTEOSA-N 1 0 334.376 1.227 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000360746770 152183754 /nfs/dbraw/zinc/18/37/54/152183754.db2.gz QCZKHWANJMMDLM-OLZOCXBDSA-N 1 0 341.433 1.910 20 5 EDBDRO CCC[N@@H+]1CCCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000360962645 152265549 /nfs/dbraw/zinc/26/55/49/152265549.db2.gz PKDRMBQYIYPSHF-UHFFFAOYSA-N 1 0 349.387 1.730 20 5 EDBDRO CN1CCC(CNc2ccncc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000361001014 152275923 /nfs/dbraw/zinc/27/59/23/152275923.db2.gz DOOVYNISFQOPPO-UHFFFAOYSA-N 1 0 333.436 1.774 20 5 EDBDRO CCO[C@@H]1COCC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000362030916 152592799 /nfs/dbraw/zinc/59/27/99/152592799.db2.gz YMFBPWGLEHEGNN-NUEKZKHPSA-N 1 0 340.376 1.118 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000417178058 304380807 /nfs/dbraw/zinc/38/08/07/304380807.db2.gz DMKNEOKUXDEBCU-CHWSQXEVSA-N 1 0 334.376 1.497 20 5 EDBDRO COCCC[N@@H+]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000363633099 153017655 /nfs/dbraw/zinc/01/76/55/153017655.db2.gz AQPSKBMUASTJNI-UHFFFAOYSA-N 1 0 339.367 1.918 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000364074890 153138968 /nfs/dbraw/zinc/13/89/68/153138968.db2.gz UNRNBRUGKLSEEB-DZGCQCFKSA-N 1 0 349.387 1.031 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000364174379 153163947 /nfs/dbraw/zinc/16/39/47/153163947.db2.gz LOAPYABEQWSQBA-ZRJCITRHSA-N 1 0 346.387 1.194 20 5 EDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 ZINC000364577799 153277098 /nfs/dbraw/zinc/27/70/98/153277098.db2.gz VWHKASASAUBCMI-BBRMVZONSA-N 1 0 341.371 1.808 20 5 EDBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000364938838 153377203 /nfs/dbraw/zinc/37/72/03/153377203.db2.gz WLOMZVNBCWZSEL-HSBSLETESA-N 1 0 333.388 1.523 20 5 EDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000365295543 153475716 /nfs/dbraw/zinc/47/57/16/153475716.db2.gz LJHSGVHCPZBVNU-GXTWGEPZSA-N 1 0 325.390 1.108 20 5 EDBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368369315 154527386 /nfs/dbraw/zinc/52/73/86/154527386.db2.gz HVXFAOPPJRGRLO-IUODEOHRSA-N 1 0 341.371 1.605 20 5 EDBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000368369317 154527698 /nfs/dbraw/zinc/52/76/98/154527698.db2.gz HVXFAOPPJRGRLO-SWLSCSKDSA-N 1 0 341.371 1.605 20 5 EDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000368648647 154655116 /nfs/dbraw/zinc/65/51/16/154655116.db2.gz WHHZIQUHSNCEIR-RYUDHWBXSA-N 1 0 333.323 1.210 20 5 EDBDRO CNS(=O)(=O)[C@@H]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000372404819 156371904 /nfs/dbraw/zinc/37/19/04/156371904.db2.gz POEOSLQQXJPIQZ-CYBMUJFWSA-N 1 0 327.406 1.417 20 5 EDBDRO O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC(C[NH+]2CCOCC2)CC1 ZINC000373835430 157025889 /nfs/dbraw/zinc/02/58/89/157025889.db2.gz LAMJBKKAKDUOSM-UHFFFAOYSA-N 1 0 349.387 1.485 20 5 EDBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000374002422 157102549 /nfs/dbraw/zinc/10/25/49/157102549.db2.gz LGLWOVNAOCCCPI-VEDBGLOESA-N 1 0 329.400 1.963 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCN[C@H](c2cccnc2)C1 ZINC000374332844 157248343 /nfs/dbraw/zinc/24/83/43/157248343.db2.gz RDFMBNNGMXTFNP-HNNXBMFYSA-N 1 0 327.344 1.359 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C[C@H]21 ZINC000374589857 157337767 /nfs/dbraw/zinc/33/77/67/157337767.db2.gz AUMOUXZZWQGQDP-MPKXVKKWSA-N 1 0 337.351 1.699 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc([N+](=O)[O-])c1F ZINC000378016079 158056751 /nfs/dbraw/zinc/05/67/51/158056751.db2.gz PNYKHPDTHPESFU-GHMZBOCLSA-N 1 0 343.380 1.272 20 5 EDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000378253197 158121971 /nfs/dbraw/zinc/12/19/71/158121971.db2.gz XYEAVHJWMZAHQM-LQDVMPOASA-N 1 0 339.417 1.769 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000378450308 158178126 /nfs/dbraw/zinc/17/81/26/158178126.db2.gz OWFHKSAMLDCPLI-WFASDCNBSA-N 1 0 346.387 1.394 20 5 EDBDRO COCCC[N@@H+]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000378544861 158205419 /nfs/dbraw/zinc/20/54/19/158205419.db2.gz TZOYXBMKPBVBLP-UHFFFAOYSA-N 1 0 336.392 1.361 20 5 EDBDRO COC[C@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000352227748 162060556 /nfs/dbraw/zinc/06/05/56/162060556.db2.gz QCMGJFQWYUYXLV-LBPRGKRZSA-N 1 0 335.360 1.861 20 5 EDBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000352513181 162221590 /nfs/dbraw/zinc/22/15/90/162221590.db2.gz VQXASWPJRNLRIK-ZDUSSCGKSA-N 1 0 327.406 1.748 20 5 EDBDRO C[N@H+](CCOc1ccccc1F)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090511929 287330670 /nfs/dbraw/zinc/33/06/70/287330670.db2.gz XLNQPGFJLYTWOH-UHFFFAOYSA-N 1 0 335.335 1.906 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000170713265 226708294 /nfs/dbraw/zinc/70/82/94/226708294.db2.gz GHFDHARQGPMZKZ-CYBMUJFWSA-N 1 0 348.403 1.712 20 5 EDBDRO CCOC(=O)N1CCC([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000186422485 267710940 /nfs/dbraw/zinc/71/09/40/267710940.db2.gz IVFRBQSAIOPUHT-LBPRGKRZSA-N 1 0 339.396 1.638 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273525147 268058111 /nfs/dbraw/zinc/05/81/11/268058111.db2.gz XMVIMMAWRLZQDD-JOYOIKCWSA-N 1 0 340.405 1.137 20 5 EDBDRO Cc1ccc(N2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000273608778 268064368 /nfs/dbraw/zinc/06/43/68/268064368.db2.gz SVRWDQFVEUVFNO-QGZVFWFLSA-N 1 0 345.403 1.283 20 5 EDBDRO COC(=O)c1cnc(N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000276729347 268467353 /nfs/dbraw/zinc/46/73/53/268467353.db2.gz LDTLMXMYZHYAQO-VXGBXAGGSA-N 1 0 340.405 1.258 20 5 EDBDRO C[NH+]1CCC(C)(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000273432753 273039181 /nfs/dbraw/zinc/03/91/81/273039181.db2.gz AWRWWZSDTUKQMA-UHFFFAOYSA-N 1 0 342.421 1.386 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000273535446 273042268 /nfs/dbraw/zinc/04/22/68/273042268.db2.gz DBZGIQGSYSKWDW-RISCZKNCSA-N 1 0 327.406 1.307 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000273535434 273042276 /nfs/dbraw/zinc/04/22/76/273042276.db2.gz DBZGIQGSYSKWDW-BXUZGUMPSA-N 1 0 327.406 1.307 20 5 EDBDRO C[NH+](C)C1(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCC1 ZINC000275414959 273110163 /nfs/dbraw/zinc/11/01/63/273110163.db2.gz GTGWGJHCFCHBNK-UHFFFAOYSA-N 1 0 333.435 1.956 20 5 EDBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCC1 ZINC000276310210 273159146 /nfs/dbraw/zinc/15/91/46/273159146.db2.gz OMLOEZAMAAEAAT-UHFFFAOYSA-N 1 0 327.406 1.895 20 5 EDBDRO COC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000279113176 273280798 /nfs/dbraw/zinc/28/07/98/273280798.db2.gz SUPVDHLGIYUTPI-DZGCQCFKSA-N 1 0 337.376 1.707 20 5 EDBDRO CC(C)n1nccc1C[NH2+][C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000280755629 273394498 /nfs/dbraw/zinc/39/44/98/273394498.db2.gz DCFCVLBYNOQUFZ-HOTGVXAUSA-N 1 0 334.376 1.556 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCO)CC2)c(Br)c1 ZINC000281197921 273447450 /nfs/dbraw/zinc/44/74/50/273447450.db2.gz MYMZTBYZYKKVSQ-UHFFFAOYSA-N 1 0 344.209 1.908 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c2nonc21 ZINC000282136747 273593768 /nfs/dbraw/zinc/59/37/68/273593768.db2.gz AKLRYJMZEMFMLH-GFCCVEGCSA-N 1 0 347.375 1.680 20 5 EDBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@@H]1[NH+](C)C ZINC000282599450 273685676 /nfs/dbraw/zinc/68/56/76/273685676.db2.gz ABJCTJJCNMAHJE-STQMWFEESA-N 1 0 342.396 1.434 20 5 EDBDRO NC(=O)c1ccc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000283454442 273862293 /nfs/dbraw/zinc/86/22/93/273862293.db2.gz IORXRPZGOWVSND-ZDUSSCGKSA-N 1 0 348.403 1.242 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[N@@H+]([C@H](C)CO)CC2)c1 ZINC000345029360 274003937 /nfs/dbraw/zinc/00/39/37/274003937.db2.gz JYZSMCIOMMBASS-GFCCVEGCSA-N 1 0 337.376 1.274 20 5 EDBDRO COCC[N@@H+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H]1C ZINC000357321219 274032630 /nfs/dbraw/zinc/03/26/30/274032630.db2.gz FTGMVOGSNKAFOM-LBPRGKRZSA-N 1 0 331.376 1.695 20 5 EDBDRO COC(=O)c1cn(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])nn1 ZINC000284135059 274091992 /nfs/dbraw/zinc/09/19/92/274091992.db2.gz URUMUULYGKEUPC-GQCTYLIASA-N 1 0 331.332 1.276 20 5 EDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCN(C)C1=O ZINC000341307430 274206561 /nfs/dbraw/zinc/20/65/61/274206561.db2.gz KWOAWWZPRXHWLW-FZMZJTMJSA-N 1 0 334.376 1.522 20 5 EDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284489424 274220603 /nfs/dbraw/zinc/22/06/03/274220603.db2.gz UINYNIKOMSGRKP-JTQLQIEISA-N 1 0 342.371 1.403 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000332168073 276784248 /nfs/dbraw/zinc/78/42/48/276784248.db2.gz PDPCKMYNZVHGJX-GHMZBOCLSA-N 1 0 335.360 1.579 20 5 EDBDRO Cn1c(C(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000345072518 277204167 /nfs/dbraw/zinc/20/41/67/277204167.db2.gz WWOINCJYJGEBAM-KBPBESRZSA-N 1 0 328.372 1.761 20 5 EDBDRO C[NH2+]CC1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000420178522 277265097 /nfs/dbraw/zinc/26/50/97/277265097.db2.gz ARUULSJJYMOLTK-UHFFFAOYSA-N 1 0 332.404 1.923 20 5 EDBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000237278829 277285770 /nfs/dbraw/zinc/28/57/70/277285770.db2.gz RUXWVRADVMDOFB-GFCCVEGCSA-N 1 0 327.406 1.584 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[NH2+]1 ZINC000286203389 287959051 /nfs/dbraw/zinc/95/90/51/287959051.db2.gz SHKRLFLKXVDYJL-VXGBXAGGSA-N 1 0 329.360 1.651 20 5 EDBDRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000342102030 277341105 /nfs/dbraw/zinc/34/11/05/277341105.db2.gz NLGMTHCRTLNPIO-ZFWWWQNUSA-N 1 0 346.387 1.801 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000420263401 277436724 /nfs/dbraw/zinc/43/67/24/277436724.db2.gz SKWTVEPLTMPLSV-LBPRGKRZSA-N 1 0 334.376 1.602 20 5 EDBDRO C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000262560684 278369064 /nfs/dbraw/zinc/36/90/64/278369064.db2.gz VJHQMHZUNDYYGT-VHSXEESVSA-N 1 0 347.824 1.854 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262797789 278597630 /nfs/dbraw/zinc/59/76/30/278597630.db2.gz UPPUTYMWGCDCMT-NXEZZACHSA-N 1 0 347.824 1.928 20 5 EDBDRO Cc1nn(C)c(N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000286808052 288093462 /nfs/dbraw/zinc/09/34/62/288093462.db2.gz VSJBFEAWHQICCU-HNNXBMFYSA-N 1 0 329.404 2.000 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@H](C)C1 ZINC000286789977 288088023 /nfs/dbraw/zinc/08/80/23/288088023.db2.gz JQXOKSDTOQKOGZ-GHMZBOCLSA-N 1 0 347.375 1.135 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000261944992 280259478 /nfs/dbraw/zinc/25/94/78/280259478.db2.gz MARONIVJCAWKOR-VXGBXAGGSA-N 1 0 327.406 1.570 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000262005551 280663434 /nfs/dbraw/zinc/66/34/34/280663434.db2.gz VSNAYOVVFMEZGB-NWDGAFQWSA-N 1 0 327.406 1.651 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000262293632 281011077 /nfs/dbraw/zinc/01/10/77/281011077.db2.gz WKDSLSGLHZJWCW-LSDHHAIUSA-N 1 0 346.431 1.988 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[N@@H+](C)C2CC2)c1C ZINC000268836204 281015845 /nfs/dbraw/zinc/01/58/45/281015845.db2.gz GQGOBKAGXGEKOJ-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO COC(=O)CC[C@@H]([NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000288874190 288585146 /nfs/dbraw/zinc/58/51/46/288585146.db2.gz YUAUCNIGOJJDCB-CQSZACIVSA-N 1 0 337.376 1.314 20 5 EDBDRO CCn1cc(S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C)c([N+](=O)[O-])n1 ZINC000353094812 288703765 /nfs/dbraw/zinc/70/37/65/288703765.db2.gz DWAKHEZOWLVXJV-NSHDSACASA-N 1 0 347.441 1.066 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290225670 288861589 /nfs/dbraw/zinc/86/15/89/288861589.db2.gz UDWWZQOZWDLBKW-GHMZBOCLSA-N 1 0 333.344 1.048 20 5 EDBDRO CCOc1cc(CN2CC[C@@H]([N@H+](C)CCO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000292123919 289267127 /nfs/dbraw/zinc/26/71/27/289267127.db2.gz ATJIDWPFDOWXGM-UKRRQHHQSA-N 1 0 337.420 1.880 20 5 EDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293324401 289582815 /nfs/dbraw/zinc/58/28/15/289582815.db2.gz IUAKBWGMOFEJQW-BBRMVZONSA-N 1 0 332.404 1.997 20 5 EDBDRO NC(=O)c1cccc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000343153051 295187856 /nfs/dbraw/zinc/18/78/56/295187856.db2.gz JWXXAYFHPWWBKM-ZDUSSCGKSA-N 1 0 348.403 1.242 20 5 EDBDRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000369320754 295326242 /nfs/dbraw/zinc/32/62/42/295326242.db2.gz AYAJMIVMCZYBEP-OWUUHHOZSA-N 1 0 345.808 1.891 20 5 EDBDRO CC[C@@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000419173003 304574294 /nfs/dbraw/zinc/57/42/94/304574294.db2.gz UWWAQQSOGXCIGH-TZMCWYRMSA-N 1 0 334.376 1.030 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCCC[C@@H]2CNC(=O)CC[NH3+])n1 ZINC000420245976 301203222 /nfs/dbraw/zinc/20/32/22/301203222.db2.gz MDXZWBBQYPBVBM-CYBMUJFWSA-N 1 0 335.408 1.431 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1[N+](=O)[O-] ZINC000193419260 301556614 /nfs/dbraw/zinc/55/66/14/301556614.db2.gz FMWWYPLAAKSSNW-BXKDBHETSA-N 1 0 327.406 1.488 20 5 EDBDRO C[C@@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C[NH2+]1 ZINC000420390012 304754376 /nfs/dbraw/zinc/75/43/76/304754376.db2.gz HQQBKTWOBDJTJL-VXGBXAGGSA-N 1 0 327.406 1.051 20 5 EDBDRO C[NH+]1CCC([C@H]2CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])C2)CC1 ZINC000420618673 304770935 /nfs/dbraw/zinc/77/09/35/304770935.db2.gz XFVWBNNEGKSDIF-ZDUSSCGKSA-N 1 0 332.404 1.862 20 5 EDBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000294995627 303160764 /nfs/dbraw/zinc/16/07/64/303160764.db2.gz ZLCVBYLOXBELHF-LLVKDONJSA-N 1 0 335.360 1.628 20 5 EDBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000295569679 303236303 /nfs/dbraw/zinc/23/63/03/303236303.db2.gz VBNIYPASXPGDRJ-CYBMUJFWSA-N 1 0 347.371 1.918 20 5 EDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])c(-c2ccc(F)cn2)n1)C1CC1 ZINC000295760468 303263036 /nfs/dbraw/zinc/26/30/36/303263036.db2.gz ASFSYCANQUXFGL-GFCCVEGCSA-N 1 0 335.339 1.448 20 5 EDBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000377740091 447330561 /nfs/dbraw/zinc/33/05/61/447330561.db2.gz CLOBPTWCYIPYQQ-QWHCGFSZSA-N 1 0 341.371 1.462 20 5 EDBDRO Nc1nc(NC2CC[NH+](Cc3ccsc3)CC2)ncc1[N+](=O)[O-] ZINC000377743300 447331768 /nfs/dbraw/zinc/33/17/68/447331768.db2.gz PKCILPHHRQNBAA-UHFFFAOYSA-N 1 0 334.405 2.105 20 5 EDBDRO O=c1c([N+](=O)[O-])c(N2CC[C@H]([NH+]3CC=CC3)C2)nc2ccccn12 ZINC000301467242 303679762 /nfs/dbraw/zinc/67/97/62/303679762.db2.gz QJYMSGGBOCFKOP-LBPRGKRZSA-N 1 0 327.344 1.053 20 5 EDBDRO O=C(CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)N1CC[NH2+]CC1 ZINC000320668991 303764999 /nfs/dbraw/zinc/76/49/99/303764999.db2.gz KYBNXRYJDANGAI-UHFFFAOYSA-N 1 0 332.282 1.457 20 5 EDBDRO Cc1cc(NC(=O)C(=O)NC2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000421287435 304796904 /nfs/dbraw/zinc/79/69/04/304796904.db2.gz IKKUAJKJZVALKI-UHFFFAOYSA-N 1 0 348.403 1.831 20 5 EDBDRO CC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000423032283 304883599 /nfs/dbraw/zinc/88/35/99/304883599.db2.gz FEHFPKZTNOYFCS-GJZGRUSLSA-N 1 0 341.433 1.489 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423992982 304923401 /nfs/dbraw/zinc/92/34/01/304923401.db2.gz GVTHZSIQAZJHLX-GWCFXTLKSA-N 1 0 335.360 1.438 20 5 EDBDRO O=C(CN1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000428033936 305004634 /nfs/dbraw/zinc/00/46/34/305004634.db2.gz BSSDKORSYLMURN-ZFWWWQNUSA-N 1 0 330.388 1.168 20 5 EDBDRO C[C@@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1[NH3+] ZINC000429187448 305025380 /nfs/dbraw/zinc/02/53/80/305025380.db2.gz JNAPTDLWHDUWIU-ZYHUDNBSSA-N 1 0 335.360 1.104 20 5 EDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000429635680 305033586 /nfs/dbraw/zinc/03/35/86/305033586.db2.gz RFQUQRMHCMQBKM-NSHDSACASA-N 1 0 325.365 1.859 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCC(=O)N1 ZINC000433096259 305100219 /nfs/dbraw/zinc/10/02/19/305100219.db2.gz HGIQYVPVGRZZCD-DGCLKSJQSA-N 1 0 334.376 1.570 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000434710856 305129190 /nfs/dbraw/zinc/12/91/90/305129190.db2.gz KLFVPJKNBGMMEZ-USWWRNFRSA-N 1 0 338.412 1.084 20 5 EDBDRO O=[N+]([O-])c1ccn(CCN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)n1 ZINC000435615606 305143564 /nfs/dbraw/zinc/14/35/64/305143564.db2.gz IEHDHINTJNHKCD-MRXNPFEDSA-N 1 0 344.419 1.831 20 5 EDBDRO C[C@@H]1C[NH+](CCCNc2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000439100152 305193835 /nfs/dbraw/zinc/19/38/35/305193835.db2.gz LINHRKPBFAOXMS-VXGBXAGGSA-N 1 0 336.392 1.605 20 5 EDBDRO COc1cc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000440446556 305207104 /nfs/dbraw/zinc/20/71/04/305207104.db2.gz RDNVWTRRDQSUTN-NSHDSACASA-N 1 0 341.389 1.118 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000440766271 305212529 /nfs/dbraw/zinc/21/25/29/305212529.db2.gz XYRGLGVECWOUCU-ZDUSSCGKSA-N 1 0 339.417 1.727 20 5 EDBDRO COc1cc(C(=O)NC[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000441605494 305222889 /nfs/dbraw/zinc/22/28/89/305222889.db2.gz SFSRCHHIKMQWRL-ZETCQYMHSA-N 1 0 333.291 1.529 20 5 EDBDRO C[C@H]1[C@@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC[N@@H+]1C ZINC000445252984 305258400 /nfs/dbraw/zinc/25/84/00/305258400.db2.gz SOLWLKTXEQFIEW-JQWIXIFHSA-N 1 0 346.391 1.753 20 5 EDBDRO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000447255040 305276422 /nfs/dbraw/zinc/27/64/22/305276422.db2.gz ISCKUVILCWTGJW-IUCAKERBSA-N 1 0 333.797 1.606 20 5 EDBDRO CC(C)N1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000447577949 305282584 /nfs/dbraw/zinc/28/25/84/305282584.db2.gz CFGGNOFJJZXMLN-RDBSUJKOSA-N 1 0 335.408 1.874 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000448886787 305302790 /nfs/dbraw/zinc/30/27/90/305302790.db2.gz ZIEAUUFSTONZBQ-CQSZACIVSA-N 1 0 343.387 1.947 20 5 EDBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451247741 305335331 /nfs/dbraw/zinc/33/53/31/305335331.db2.gz ACOCZMKBUSPKQO-DZGCQCFKSA-N 1 0 333.388 1.577 20 5 EDBDRO C[C@@H]1CN(CCO)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000452113958 305383508 /nfs/dbraw/zinc/38/35/08/305383508.db2.gz JBLMPODKMHJXJQ-GFCCVEGCSA-N 1 0 347.375 1.143 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000516635228 305739557 /nfs/dbraw/zinc/73/95/57/305739557.db2.gz UVXMTNPARWEKFX-QWHCGFSZSA-N 1 0 348.403 1.278 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CCC[NH2+]C1 ZINC000516748714 305740681 /nfs/dbraw/zinc/74/06/81/305740681.db2.gz BIXRLVDFROJEND-ZDUSSCGKSA-N 1 0 336.392 1.663 20 5 EDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000521005423 305784366 /nfs/dbraw/zinc/78/43/66/305784366.db2.gz ZDIPGMQIGFGVOG-STQMWFEESA-N 1 0 336.392 1.790 20 5 EDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000521267686 305787491 /nfs/dbraw/zinc/78/74/91/305787491.db2.gz WIHCPGGBBPKQNC-VXGBXAGGSA-N 1 0 327.768 1.936 20 5 EDBDRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000046035113 441071310 /nfs/dbraw/zinc/07/13/10/441071310.db2.gz PMUVFCCHGVPIGQ-LBPRGKRZSA-N 1 0 327.406 1.605 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046036558 441072585 /nfs/dbraw/zinc/07/25/85/441072585.db2.gz GJVPDLMHJIODIA-CHWSQXEVSA-N 1 0 339.417 1.808 20 5 EDBDRO NC(=O)c1ccc(N2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000007365436 441049005 /nfs/dbraw/zinc/04/90/05/441049005.db2.gz QIMBDEWTHRPSTK-UHFFFAOYSA-N 1 0 327.344 1.415 20 5 EDBDRO C[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[N@H+](C)C1CC1 ZINC000057705955 441127873 /nfs/dbraw/zinc/12/78/73/441127873.db2.gz LBMXZFJZINAIRX-LBPRGKRZSA-N 1 0 343.387 1.993 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000063466890 441330954 /nfs/dbraw/zinc/33/09/54/441330954.db2.gz KSNCEMZYUNOQST-UHFFFAOYSA-N 1 0 334.420 1.661 20 5 EDBDRO C[NH+](C)CCn1nnnc1SCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083091897 441350461 /nfs/dbraw/zinc/35/04/61/441350461.db2.gz TXMSQMUYBDANAR-UHFFFAOYSA-N 1 0 349.376 1.576 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000108329724 441445564 /nfs/dbraw/zinc/44/55/64/441445564.db2.gz ZBYANYDIBIEJCE-LBPRGKRZSA-N 1 0 344.375 1.247 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000065910490 441493891 /nfs/dbraw/zinc/49/38/91/441493891.db2.gz UVLARPOTGPCVAY-UHFFFAOYSA-N 1 0 337.424 1.823 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000108406605 441452867 /nfs/dbraw/zinc/45/28/67/441452867.db2.gz IDFPLMCIGDOMIG-LBPRGKRZSA-N 1 0 327.406 1.523 20 5 EDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000066149653 441507638 /nfs/dbraw/zinc/50/76/38/441507638.db2.gz PVSAFPMYPUCALA-LLVKDONJSA-N 1 0 325.413 1.645 20 5 EDBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000112921622 441568908 /nfs/dbraw/zinc/56/89/08/441568908.db2.gz VIPDKPMDDYKYEC-UHFFFAOYSA-N 1 0 334.420 1.693 20 5 EDBDRO COC[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000112987193 441575476 /nfs/dbraw/zinc/57/54/76/441575476.db2.gz HZUKHRRUNRKNHB-ZDUSSCGKSA-N 1 0 333.388 1.842 20 5 EDBDRO CC(C)[NH2+]CCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000036299713 441606017 /nfs/dbraw/zinc/60/60/17/441606017.db2.gz YJKDVWIZOCXOGO-UHFFFAOYSA-N 1 0 335.813 1.915 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000067191652 441616023 /nfs/dbraw/zinc/61/60/23/441616023.db2.gz LNOVZVVOFXWJLV-UHFFFAOYSA-N 1 0 335.360 1.534 20 5 EDBDRO C[NH+](C)C(C)(C)CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067245586 441621183 /nfs/dbraw/zinc/62/11/83/441621183.db2.gz AKILYSSSZOIKRR-UHFFFAOYSA-N 1 0 332.364 1.246 20 5 EDBDRO COC(=O)CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000114476138 441661628 /nfs/dbraw/zinc/66/16/28/441661628.db2.gz UCIAPBBKGKGXAQ-UHFFFAOYSA-N 1 0 337.376 1.831 20 5 EDBDRO CNC(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000067978722 441704752 /nfs/dbraw/zinc/70/47/52/441704752.db2.gz GVBMIDCZSWSAMF-CQSZACIVSA-N 1 0 334.376 1.442 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]C1CCSCC1 ZINC000116922521 441860351 /nfs/dbraw/zinc/86/03/51/441860351.db2.gz SYIQAGHDWQZVAY-UHFFFAOYSA-N 1 0 345.446 1.358 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000092741862 441824938 /nfs/dbraw/zinc/82/49/38/441824938.db2.gz IGEHUBMCNYVAPJ-ZOWXZIJZSA-N 1 0 339.417 1.651 20 5 EDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174202731 441902426 /nfs/dbraw/zinc/90/24/26/441902426.db2.gz USHVNFCYXIRTJM-CQSZACIVSA-N 1 0 333.388 1.318 20 5 EDBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000124169304 441909967 /nfs/dbraw/zinc/90/99/67/441909967.db2.gz MYCSTFIDYOYBIR-AWEZNQCLSA-N 1 0 343.387 1.912 20 5 EDBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c2)CC1 ZINC000119152927 441919789 /nfs/dbraw/zinc/91/97/89/441919789.db2.gz PBARXIVJGLFPAS-UHFFFAOYSA-N 1 0 344.375 1.318 20 5 EDBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000078359993 441924248 /nfs/dbraw/zinc/92/42/48/441924248.db2.gz BKZVVMOJLFFCQK-GFCCVEGCSA-N 1 0 349.387 1.970 20 5 EDBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000149546763 441924844 /nfs/dbraw/zinc/92/48/44/441924844.db2.gz HJSRZOGWXMQITJ-KBPBESRZSA-N 1 0 337.424 1.666 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000174028791 441880675 /nfs/dbraw/zinc/88/06/75/441880675.db2.gz SWJAIUCLCWJBMY-NSHDSACASA-N 1 0 345.396 1.696 20 5 EDBDRO C[C@H]1C[C@@H](N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000123334937 441884564 /nfs/dbraw/zinc/88/45/64/441884564.db2.gz HCHKIESEWCFPQD-BBRMVZONSA-N 1 0 334.420 1.972 20 5 EDBDRO COc1ccc(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000069129526 441896209 /nfs/dbraw/zinc/89/62/09/441896209.db2.gz LWGXIYMXXNCCIS-SNVBAGLBSA-N 1 0 343.405 1.364 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1C ZINC000069128973 441896271 /nfs/dbraw/zinc/89/62/71/441896271.db2.gz CRTYWZIJGVTBNA-LBPRGKRZSA-N 1 0 341.433 1.973 20 5 EDBDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000162435721 442094249 /nfs/dbraw/zinc/09/42/49/442094249.db2.gz FMVCDELWYSULBZ-CYBMUJFWSA-N 1 0 341.433 1.399 20 5 EDBDRO CC[N@H+](CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000151475531 442068408 /nfs/dbraw/zinc/06/84/08/442068408.db2.gz LFOYVKHQSMWPMC-UHFFFAOYSA-N 1 0 332.404 1.728 20 5 EDBDRO C[NH+](C)CCOc1cccc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000126863158 442149364 /nfs/dbraw/zinc/14/93/64/442149364.db2.gz KDWPMKFEJYDDKU-UHFFFAOYSA-N 1 0 347.375 1.048 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000151851345 442128984 /nfs/dbraw/zinc/12/89/84/442128984.db2.gz KHAJFQBGDGYITK-DGCLKSJQSA-N 1 0 346.387 1.583 20 5 EDBDRO NC(=O)c1ccc(N2CCC(C[NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000079928807 442098512 /nfs/dbraw/zinc/09/85/12/442098512.db2.gz LVPMXWXEAJNJDS-UHFFFAOYSA-N 1 0 348.403 1.242 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)n1 ZINC000152221903 442184151 /nfs/dbraw/zinc/18/41/51/442184151.db2.gz HWVHNYPIYNVBHS-LBPRGKRZSA-N 1 0 331.380 1.666 20 5 EDBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000171505007 442353574 /nfs/dbraw/zinc/35/35/74/442353574.db2.gz IUQRMWBNPCKGPU-GFCCVEGCSA-N 1 0 327.406 1.666 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000171720048 442374476 /nfs/dbraw/zinc/37/44/76/442374476.db2.gz FCSWRNILUWMSSJ-CYBMUJFWSA-N 1 0 335.408 1.030 20 5 EDBDRO C[C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[N@H+](C)C1CC1 ZINC000132332118 442391455 /nfs/dbraw/zinc/39/14/55/442391455.db2.gz VKRRQHMQRVPOLT-GFCCVEGCSA-N 1 0 343.387 1.993 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000155625914 442414288 /nfs/dbraw/zinc/41/42/88/442414288.db2.gz XRHCIDBIFLISDA-KRWDZBQOSA-N 1 0 326.356 1.969 20 5 EDBDRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000172245710 442429791 /nfs/dbraw/zinc/42/97/91/442429791.db2.gz XWYZLQCGHLNSGW-UHFFFAOYSA-N 1 0 330.344 1.977 20 5 EDBDRO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000155951858 442438519 /nfs/dbraw/zinc/43/85/19/442438519.db2.gz ZIMSILRTQCMICO-UHFFFAOYSA-N 1 0 341.433 1.751 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178640872 442451321 /nfs/dbraw/zinc/45/13/21/442451321.db2.gz NBKSSQBREMDCLR-TZMCWYRMSA-N 1 0 348.403 1.710 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)n1 ZINC000191608297 442475217 /nfs/dbraw/zinc/47/52/17/442475217.db2.gz HSESFZZGQIREBU-ZDUSSCGKSA-N 1 0 343.387 1.944 20 5 EDBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000186311124 442509560 /nfs/dbraw/zinc/50/95/60/442509560.db2.gz DCMXIOLCLICMQD-SOUVJXGZSA-N 1 0 326.397 1.336 20 5 EDBDRO COc1ccc(NC(=O)C[N@H+](C)[C@@H](CO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000134436764 442483340 /nfs/dbraw/zinc/48/33/40/442483340.db2.gz IPLVRBBTGOVVMJ-AWEZNQCLSA-N 1 0 339.392 1.881 20 5 EDBDRO C[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000186738855 442603440 /nfs/dbraw/zinc/60/34/40/442603440.db2.gz MWLJCTJGPOCMOL-NSHDSACASA-N 1 0 337.380 1.299 20 5 EDBDRO C[C@H]1C[C@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000173272516 442639047 /nfs/dbraw/zinc/63/90/47/442639047.db2.gz KLBYEHJKEMFTNV-SWLSCSKDSA-N 1 0 341.433 1.839 20 5 EDBDRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000180936863 442670559 /nfs/dbraw/zinc/67/05/59/442670559.db2.gz UYWODTRWLCDNOG-UHFFFAOYSA-N 1 0 328.756 1.207 20 5 EDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(-n2ccnn2)cc1 ZINC000182007470 442727699 /nfs/dbraw/zinc/72/76/99/442727699.db2.gz ZWASYKUDLHJFDB-GFCCVEGCSA-N 1 0 327.348 1.723 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000193302082 442731106 /nfs/dbraw/zinc/73/11/06/442731106.db2.gz ZPGOWBXFVRHNIJ-VIFPVBQESA-N 1 0 347.368 1.115 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1OC ZINC000193517627 442750392 /nfs/dbraw/zinc/75/03/92/442750392.db2.gz VLUNAXQIPGRLOB-PWSUYJOCSA-N 1 0 337.376 1.872 20 5 EDBDRO C[C@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000181707533 442711576 /nfs/dbraw/zinc/71/15/76/442711576.db2.gz XNLCWZZYFUEPSC-LBPRGKRZSA-N 1 0 328.390 1.479 20 5 EDBDRO O=C1CCc2cc([N+](=O)[O-])c(NCC[N@@H+]3CCCOCC3)cc2N1 ZINC000188492690 442755912 /nfs/dbraw/zinc/75/59/12/442755912.db2.gz HIXYDDYTYNVGMJ-UHFFFAOYSA-N 1 0 334.376 1.614 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000188747271 442802798 /nfs/dbraw/zinc/80/27/98/442802798.db2.gz UAYOYWVJQFDBCY-UHFFFAOYSA-N 1 0 347.419 1.031 20 5 EDBDRO C[NH+]1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000182668590 442803158 /nfs/dbraw/zinc/80/31/58/442803158.db2.gz YLJQQRLUQKSBEK-UHFFFAOYSA-N 1 0 340.767 1.397 20 5 EDBDRO C[N@H+]1C[C@H]2CN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@H]2C1 ZINC000193601630 442758300 /nfs/dbraw/zinc/75/83/00/442758300.db2.gz FOOYHSNTJQHPGY-BETUJISGSA-N 1 0 329.360 1.638 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000193679331 442766683 /nfs/dbraw/zinc/76/66/83/442766683.db2.gz UBUNCQKMWQPMAZ-AWEZNQCLSA-N 1 0 348.403 1.363 20 5 EDBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000265458266 442780681 /nfs/dbraw/zinc/78/06/81/442780681.db2.gz AXVQLAJJSSIVSJ-UHFFFAOYSA-N 1 0 347.371 1.918 20 5 EDBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[NH+]2CCC1CC2 ZINC000188845520 442826133 /nfs/dbraw/zinc/82/61/33/442826133.db2.gz NSHBHIJNLLCLSH-UHFFFAOYSA-N 1 0 341.371 1.701 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000268163061 442878206 /nfs/dbraw/zinc/87/82/06/442878206.db2.gz OBOMHDHHBKCKCP-RISCZKNCSA-N 1 0 339.417 1.664 20 5 EDBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[C@@H]1[NH+](C)C ZINC000268258557 442921592 /nfs/dbraw/zinc/92/15/92/442921592.db2.gz QUQJSMVWDUKAFV-NHYWBVRUSA-N 1 0 334.376 1.938 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000183112254 318518670 /nfs/dbraw/zinc/51/86/70/318518670.db2.gz BVMGOSMZGPTKLK-ZDUSSCGKSA-N 1 0 337.424 1.871 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)c1C ZINC000268272234 442926131 /nfs/dbraw/zinc/92/61/31/442926131.db2.gz SZRGEXCFRZWHLX-BXUZGUMPSA-N 1 0 341.433 1.782 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC000194739568 442945714 /nfs/dbraw/zinc/94/57/14/442945714.db2.gz IVXTUSJIKLYRTC-ZDUSSCGKSA-N 1 0 335.360 1.596 20 5 EDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000194744155 442946704 /nfs/dbraw/zinc/94/67/04/442946704.db2.gz REDJIPPHOLGOIG-ZDUSSCGKSA-N 1 0 329.360 1.605 20 5 EDBDRO COCCO[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000189727863 442998497 /nfs/dbraw/zinc/99/84/97/442998497.db2.gz FQHJKOPGWNAUBU-CYBMUJFWSA-N 1 0 337.376 1.661 20 5 EDBDRO O=c1cc(C[N@H+]2C[C@H](O)C[C@H]2CO)c2c(ccc3ccccc32)o1 ZINC000249377321 442970051 /nfs/dbraw/zinc/97/00/51/442970051.db2.gz YRKXDAWYZSSBTP-LSDHHAIUSA-N 1 0 325.364 1.874 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC2CC[NH2+]CC2)cc1C ZINC000194987197 442974017 /nfs/dbraw/zinc/97/40/17/442974017.db2.gz IDUNJVAONUGNMN-UHFFFAOYSA-N 1 0 327.406 1.490 20 5 EDBDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000296512566 318703069 /nfs/dbraw/zinc/70/30/69/318703069.db2.gz PNWLQCRYFATCFC-TZMCWYRMSA-N 1 0 329.422 1.963 20 5 EDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCCCC[N@H+]1CCC[C@H]1CO ZINC000255516810 443100989 /nfs/dbraw/zinc/10/09/89/443100989.db2.gz OLRSPCGDSVJJHD-YDZSZYSISA-N 1 0 347.415 1.961 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000266346140 443102941 /nfs/dbraw/zinc/10/29/41/443102941.db2.gz NYYLMFMISOPMDR-UHFFFAOYSA-N 1 0 340.380 1.693 20 5 EDBDRO Cc1cc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)ncc1[N+](=O)[O-] ZINC000268807483 443115145 /nfs/dbraw/zinc/11/51/45/443115145.db2.gz GFRLBMGRMKFKCX-CYBMUJFWSA-N 1 0 333.392 1.041 20 5 EDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237917189 443188791 /nfs/dbraw/zinc/18/87/91/443188791.db2.gz VRQPYBZXPJFJTQ-JTQLQIEISA-N 1 0 330.344 1.308 20 5 EDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCc2ccccc2C1 ZINC000266507306 443150252 /nfs/dbraw/zinc/15/02/52/443150252.db2.gz CFZPCSGYZWLGSV-WBVHZDCISA-N 1 0 330.388 1.642 20 5 EDBDRO C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000269171075 443221261 /nfs/dbraw/zinc/22/12/61/443221261.db2.gz FMFCLYWIVOXLTK-CHWSQXEVSA-N 1 0 343.387 1.898 20 5 EDBDRO COc1cc(C[N@H+](C)C2(CO)CCOCC2)c([N+](=O)[O-])cc1F ZINC000191001869 443223404 /nfs/dbraw/zinc/22/34/04/443223404.db2.gz RENWLVLRDAIHEW-UHFFFAOYSA-N 1 0 328.340 1.716 20 5 EDBDRO C[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCC[NH2+]C1 ZINC000269223329 443238613 /nfs/dbraw/zinc/23/86/13/443238613.db2.gz SZAAJXDSYKDQQI-QWRGUYRKSA-N 1 0 344.371 1.967 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000341223658 318986697 /nfs/dbraw/zinc/98/66/97/318986697.db2.gz TULOQWUDHSZVPO-UHFFFAOYSA-N 1 0 334.376 1.593 20 5 EDBDRO CCc1[nH]nc(-c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)c1[N+](=O)[O-] ZINC000351260612 319098735 /nfs/dbraw/zinc/09/87/35/319098735.db2.gz DMZHNVZNYGKWQT-PSASIEDQSA-N 1 0 334.336 1.466 20 5 EDBDRO CCOC(=O)c1cc(-c2nc(C[C@@H](C)[NH2+]C)no2)cc([N+](=O)[O-])c1 ZINC000414644661 319335129 /nfs/dbraw/zinc/33/51/29/319335129.db2.gz MLYBXBLVRFKKNI-SECBINFHSA-N 1 0 334.332 1.972 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415893700 319382330 /nfs/dbraw/zinc/38/23/30/319382330.db2.gz NRKLYLUNWPOLFI-OLZOCXBDSA-N 1 0 346.387 1.218 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000269327977 443282692 /nfs/dbraw/zinc/28/26/92/443282692.db2.gz ASSCQYMTDWJLAY-NSHDSACASA-N 1 0 347.824 1.963 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)c1C ZINC000269327910 443283079 /nfs/dbraw/zinc/28/30/79/443283079.db2.gz APRMHXNSOCFFEG-ZDUSSCGKSA-N 1 0 341.433 1.926 20 5 EDBDRO Cn1cccc1[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266950300 443300400 /nfs/dbraw/zinc/30/04/00/443300400.db2.gz UCHGYYGVJQTFBR-HOCLYGCPSA-N 1 0 333.392 1.718 20 5 EDBDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)nc2)C1 ZINC000269415648 443306931 /nfs/dbraw/zinc/30/69/31/443306931.db2.gz IRUKPKHNYOORTQ-LBPRGKRZSA-N 1 0 345.359 1.975 20 5 EDBDRO NC(=O)c1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000264542150 443320171 /nfs/dbraw/zinc/32/01/71/443320171.db2.gz AXEHPUOUJUMBMB-HNNXBMFYSA-N 1 0 332.404 1.754 20 5 EDBDRO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000272488610 443336280 /nfs/dbraw/zinc/33/62/80/443336280.db2.gz HLVHGMXXWPWTGV-SNVBAGLBSA-N 1 0 333.373 1.520 20 5 EDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000264601242 443342243 /nfs/dbraw/zinc/34/22/43/443342243.db2.gz CPPRLFRTNIYMFG-CYBMUJFWSA-N 1 0 332.404 1.997 20 5 EDBDRO CCCN(C(=O)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000419159836 319564700 /nfs/dbraw/zinc/56/47/00/319564700.db2.gz ZTNQDBPVHGTPRS-OLZOCXBDSA-N 1 0 348.403 1.373 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000264635272 443356589 /nfs/dbraw/zinc/35/65/89/443356589.db2.gz SKMCWFJHQWTTSB-CQSZACIVSA-N 1 0 327.406 1.451 20 5 EDBDRO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000278716487 443411949 /nfs/dbraw/zinc/41/19/49/443411949.db2.gz PBNSRHGJCMEYHM-PBHICJAKSA-N 1 0 338.404 1.749 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000420429423 319617751 /nfs/dbraw/zinc/61/77/51/319617751.db2.gz ZRICYXKOPIEUMQ-ZWNOBZJWSA-N 1 0 341.433 1.960 20 5 EDBDRO C[C@@H]1C[N@H+](CCCNC(=O)Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000278679658 443400505 /nfs/dbraw/zinc/40/05/05/443400505.db2.gz UIPKZTHYTJUREI-CQSZACIVSA-N 1 0 335.404 1.754 20 5 EDBDRO C[N@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3Br)C[C@H]2C1 ZINC000278696787 443405472 /nfs/dbraw/zinc/40/54/72/443405472.db2.gz IAPLQMLDMXLMHI-DTORHVGOSA-N 1 0 327.182 1.750 20 5 EDBDRO Cc1cc(C2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)[nH]n1 ZINC000272882064 443478044 /nfs/dbraw/zinc/47/80/44/443478044.db2.gz CMHVDXLRVDRLGF-UHFFFAOYSA-N 1 0 331.376 1.668 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N(C)C[C@@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000272791341 443446168 /nfs/dbraw/zinc/44/61/68/443446168.db2.gz AVGXLXYVIGKAJT-CYBMUJFWSA-N 1 0 348.403 1.043 20 5 EDBDRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000272794734 443447987 /nfs/dbraw/zinc/44/79/87/443447987.db2.gz KCFBTVIDXMLYCK-CQSZACIVSA-N 1 0 344.371 1.420 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000278821054 443452630 /nfs/dbraw/zinc/45/26/30/443452630.db2.gz INLBUYUDHMLMJQ-CYBMUJFWSA-N 1 0 333.388 1.920 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000422728081 319733980 /nfs/dbraw/zinc/73/39/80/319733980.db2.gz DXZMRCOWQQMOIK-QMTHXVAHSA-N 1 0 335.360 1.723 20 5 EDBDRO C[C@H](NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000422980938 319744859 /nfs/dbraw/zinc/74/48/59/319744859.db2.gz MWXHFOAQLDKCCL-LBPRGKRZSA-N 1 0 346.387 1.127 20 5 EDBDRO COC[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000279115717 443516070 /nfs/dbraw/zinc/51/60/70/443516070.db2.gz TXMIQZMGDMUCDR-UKRRQHHQSA-N 1 0 340.376 1.766 20 5 EDBDRO COc1ccc(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000273028305 443523109 /nfs/dbraw/zinc/52/31/09/443523109.db2.gz DBHUARYLEJBPGG-LBPRGKRZSA-N 1 0 337.376 1.188 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@H]2CCO)cc1 ZINC000279369883 443566331 /nfs/dbraw/zinc/56/63/31/443566331.db2.gz WZLCULUGCUOIAQ-WFASDCNBSA-N 1 0 342.417 1.509 20 5 EDBDRO C[N@@H+](Cc1cc(F)c(F)c(F)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000272259529 443571700 /nfs/dbraw/zinc/57/17/00/443571700.db2.gz MPQHDEQCNPKBPD-LLVKDONJSA-N 1 0 344.293 1.702 20 5 EDBDRO CN1CC[NH+](CCCNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286115186 443649492 /nfs/dbraw/zinc/64/94/92/443649492.db2.gz LYDCBMLJIRXWHF-UHFFFAOYSA-N 1 0 336.421 1.649 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000439350544 320045765 /nfs/dbraw/zinc/04/57/65/320045765.db2.gz MYIXHOVTOAZMKC-GFCCVEGCSA-N 1 0 334.376 1.394 20 5 EDBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000440105756 320063209 /nfs/dbraw/zinc/06/32/09/320063209.db2.gz ZAUBXBATDHUBHW-LBPRGKRZSA-N 1 0 329.422 1.912 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000440335633 320071722 /nfs/dbraw/zinc/07/17/22/320071722.db2.gz GHVSAOAGIWRYLO-VXGBXAGGSA-N 1 0 327.406 1.570 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c1[N+](=O)[O-] ZINC000440752149 320079358 /nfs/dbraw/zinc/07/93/58/320079358.db2.gz WURDELAOUOKPFE-NEPJUHHUSA-N 1 0 327.406 1.583 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000440862341 320084261 /nfs/dbraw/zinc/08/42/61/320084261.db2.gz JLXYNSCTAMWGCM-NEPJUHHUSA-N 1 0 327.406 1.760 20 5 EDBDRO C[C@H](C[NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447251414 320140338 /nfs/dbraw/zinc/14/03/38/320140338.db2.gz UMDUFSHOFIEHES-SSDOTTSWSA-N 1 0 341.311 1.487 20 5 EDBDRO COCCOCCOCC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000276224353 443670639 /nfs/dbraw/zinc/67/06/39/443670639.db2.gz JIIGGASOIOPEDQ-UHFFFAOYSA-N 1 0 342.392 1.585 20 5 EDBDRO CO[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459758184 320349569 /nfs/dbraw/zinc/34/95/69/320349569.db2.gz LGKMCYRSYHVHFC-VBNZEHGJSA-N 1 0 336.388 1.882 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491561065 320372018 /nfs/dbraw/zinc/37/20/18/320372018.db2.gz IFVPSLCHHNNUMX-DANTVBBOSA-N 1 0 332.404 1.360 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000519659215 320470591 /nfs/dbraw/zinc/47/05/91/320470591.db2.gz WGZKKTKVMVYTHA-HNNXBMFYSA-N 1 0 339.417 1.667 20 5 EDBDRO Cn1cc(N2CC[C@H]([NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])C2=O)cn1 ZINC000519762652 320472667 /nfs/dbraw/zinc/47/26/67/320472667.db2.gz BNNOQXVVQCPZMG-GJZGRUSLSA-N 1 0 341.371 1.711 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298609809 443815776 /nfs/dbraw/zinc/81/57/76/443815776.db2.gz QTSNFFAMGLLAKD-ZFWWWQNUSA-N 1 0 346.387 1.585 20 5 EDBDRO C[N@@H+]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000298676435 443836217 /nfs/dbraw/zinc/83/62/17/443836217.db2.gz RHTLUZMVXKWFGW-UHFFFAOYSA-N 1 0 326.784 1.824 20 5 EDBDRO CNC(=O)c1ccc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])c1 ZINC000292905873 443875253 /nfs/dbraw/zinc/87/52/53/443875253.db2.gz XBKKMGZIRLYZBU-KRWDZBQOSA-N 1 0 332.404 1.877 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] 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YOFJZOYNLSMVAW-JXMROGBWSA-N 1 0 334.420 1.608 20 5 EDBDRO COCCN1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000564857673 321152093 /nfs/dbraw/zinc/15/20/93/321152093.db2.gz WSKWFWGDZBPWLC-ZDUSSCGKSA-N 1 0 336.392 1.234 20 5 EDBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000568789109 321307309 /nfs/dbraw/zinc/30/73/09/321307309.db2.gz OKLJPNZKYILAEW-UHFFFAOYSA-N 1 0 326.356 1.946 20 5 EDBDRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285779813 444106396 /nfs/dbraw/zinc/10/63/96/444106396.db2.gz YPOUFYGVLYAGDF-CQSZACIVSA-N 1 0 343.387 1.612 20 5 EDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000285861324 444132093 /nfs/dbraw/zinc/13/20/93/444132093.db2.gz BAXFXDOAMYLZIS-HSMVNMDESA-N 1 0 343.387 1.897 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000301378747 444168342 /nfs/dbraw/zinc/16/83/42/444168342.db2.gz XLYVNIQYNCKSEO-TUKIKUTGSA-N 1 0 330.388 1.614 20 5 EDBDRO 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/nfs/dbraw/zinc/24/01/44/444240144.db2.gz VKIVPRRYZJHCCE-MRXNPFEDSA-N 1 0 349.431 1.893 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)COc2ccccc2Cl)c1 ZINC000577503284 321658622 /nfs/dbraw/zinc/65/86/22/321658622.db2.gz PNKHJZNGBSASER-GFCCVEGCSA-N 1 0 340.767 1.474 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)c1C ZINC000317113618 444313615 /nfs/dbraw/zinc/31/36/15/444313615.db2.gz GQRJFURMEJOLOP-PWSUYJOCSA-N 1 0 327.406 1.712 20 5 EDBDRO NC(=O)c1ccnc(N2CCC[N@@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000290736540 444316938 /nfs/dbraw/zinc/31/69/38/444316938.db2.gz GPTSMFNYISJIEL-UHFFFAOYSA-N 1 0 333.392 1.543 20 5 EDBDRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)C1CC1 ZINC000297708703 444322123 /nfs/dbraw/zinc/32/21/23/444322123.db2.gz ATPATNXPTCGGDP-UHFFFAOYSA-N 1 0 334.376 1.442 20 5 EDBDRO CC[C@@H](C)Oc1cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000577723085 321676576 /nfs/dbraw/zinc/67/65/76/321676576.db2.gz FAZNREFSOATILK-DOMZBBRYSA-N 1 0 349.391 1.514 20 5 EDBDRO COC(=O)c1cc(C)nc(NCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000339969655 444345763 /nfs/dbraw/zinc/34/57/63/444345763.db2.gz SSQJJMRRBAZCON-UHFFFAOYSA-N 1 0 336.392 2.373 20 5 EDBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000290881287 444334332 /nfs/dbraw/zinc/33/43/32/444334332.db2.gz DRXGRUDYPOCYLX-GFCCVEGCSA-N 1 0 346.391 1.634 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000297798198 444336108 /nfs/dbraw/zinc/33/61/08/444336108.db2.gz HTPXNHPZBVUVPX-DZGCQCFKSA-N 1 0 346.387 1.585 20 5 EDBDRO C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000578639709 321807640 /nfs/dbraw/zinc/80/76/40/321807640.db2.gz DIDCUFFZVBAMGY-GWCFXTLKSA-N 1 0 340.330 1.824 20 5 EDBDRO C[NH+](C)C[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCO1 ZINC000331132654 444409806 /nfs/dbraw/zinc/40/98/06/444409806.db2.gz PFYMWOYBGHCXCK-LLVKDONJSA-N 1 0 343.330 1.205 20 5 EDBDRO 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C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccsc1 ZINC000356447821 445795193 /nfs/dbraw/zinc/79/51/93/445795193.db2.gz PSTLGFNRKLPKIQ-LBPRGKRZSA-N 1 0 335.389 1.865 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000356458823 445801924 /nfs/dbraw/zinc/80/19/24/445801924.db2.gz PRZGONGANCBNPN-ZDUSSCGKSA-N 1 0 335.339 1.500 20 5 EDBDRO COC(=O)c1cc(C(=O)NCCNc2cc[nH+]cc2)cc([N+](=O)[O-])c1 ZINC000359000284 445882290 /nfs/dbraw/zinc/88/22/90/445882290.db2.gz KLLPZSWZTYLMGH-UHFFFAOYSA-N 1 0 344.327 1.040 20 5 EDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000354019024 445857967 /nfs/dbraw/zinc/85/79/67/445857967.db2.gz ISOBXAKYRXSKCO-ZDUSSCGKSA-N 1 0 348.403 1.267 20 5 EDBDRO C[C@]1(c2ccc(F)cc2)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361637604 445859969 /nfs/dbraw/zinc/85/99/69/445859969.db2.gz AEYOGQSGVQHPCL-SJORKVTESA-N 1 0 348.378 1.955 20 5 EDBDRO Cc1ccncc1C1=CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000372923176 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CC1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])C[NH+](Cc2ccccc2)C1 ZINC000373589560 446274088 /nfs/dbraw/zinc/27/40/88/446274088.db2.gz WCKQEISYEKIQMJ-UHFFFAOYSA-N 1 0 329.360 1.570 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000366813633 446365036 /nfs/dbraw/zinc/36/50/36/446365036.db2.gz HRBRXTLIQMWBKI-OAHLLOKOSA-N 1 0 349.435 1.680 20 5 EDBDRO C[C@H](CC[NH+](C)C)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365871747 446381662 /nfs/dbraw/zinc/38/16/62/446381662.db2.gz SELCOBFUTXRYBJ-GFCCVEGCSA-N 1 0 338.412 1.478 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000366865895 446388587 /nfs/dbraw/zinc/38/85/87/446388587.db2.gz FCHVDPBIGVLYPE-XHSDSOJGSA-N 1 0 336.388 1.965 20 5 EDBDRO C[C@H]1[NH2+]CCC[C@H]1Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000420246048 446429525 /nfs/dbraw/zinc/42/95/25/446429525.db2.gz MQMXDACBKYUVOJ-UKRRQHHQSA-N 1 0 334.420 1.979 20 5 EDBDRO Cc1cc(N2CC[C@@H](N3CC[NH2+]CC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420247720 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QZNPEMIVUROONV-UHFFFAOYSA-N 1 0 334.376 1.701 20 5 EDBDRO Cn1cc(CN2CC(n3ccnn3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000376506255 446540642 /nfs/dbraw/zinc/54/06/42/446540642.db2.gz PBRFHTQKFIFLCC-UHFFFAOYSA-N 1 0 339.359 1.644 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000411447193 446548757 /nfs/dbraw/zinc/54/87/57/446548757.db2.gz BGWHFCMNKPRHDR-UHFFFAOYSA-N 1 0 346.387 1.457 20 5 EDBDRO C[C@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCC(=O)N1 ZINC000453595610 446568721 /nfs/dbraw/zinc/56/87/21/446568721.db2.gz YRUDVLIPKDCBLN-CQSZACIVSA-N 1 0 329.303 1.955 20 5 EDBDRO C[C@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000420408589 446581779 /nfs/dbraw/zinc/58/17/79/446581779.db2.gz PRIWVKCLTNHURJ-QWHCGFSZSA-N 1 0 341.433 1.285 20 5 EDBDRO C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000367738527 446581873 /nfs/dbraw/zinc/58/18/73/446581873.db2.gz KDAGGXMZUQCXCU-SCYVGKGRSA-N 1 0 345.399 1.930 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000420442838 446618857 /nfs/dbraw/zinc/61/88/57/446618857.db2.gz KSXQIYCAWIVPDJ-LBPRGKRZSA-N 1 0 327.406 1.714 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])c1C ZINC000420424239 446598513 /nfs/dbraw/zinc/59/85/13/446598513.db2.gz PTUKOYYXUADZRA-GXFFZTMASA-N 1 0 341.433 1.960 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000420426536 446600617 /nfs/dbraw/zinc/60/06/17/446600617.db2.gz WDBRUEUEARQYTP-LBPRGKRZSA-N 1 0 327.406 1.008 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000420429421 446604260 /nfs/dbraw/zinc/60/42/60/446604260.db2.gz ZRICYXKOPIEUMQ-MFKMUULPSA-N 1 0 341.433 1.960 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NC2(C)CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000423613228 446606305 /nfs/dbraw/zinc/60/63/05/446606305.db2.gz OWZLUPDYPCNICK-UHFFFAOYSA-N 1 0 335.360 1.643 20 5 EDBDRO [NH3+][C@H]1CCC[C@H](C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 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/nfs/dbraw/zinc/72/82/81/446728281.db2.gz MOJZTGSSINWTDZ-CQSZACIVSA-N 1 0 327.768 1.491 20 5 EDBDRO CN(C)C(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411933913 446744202 /nfs/dbraw/zinc/74/42/02/446744202.db2.gz BVLNASUVUGYUGZ-LBPRGKRZSA-N 1 0 334.376 1.334 20 5 EDBDRO CN(C)C(=O)[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000411937781 446747202 /nfs/dbraw/zinc/74/72/02/446747202.db2.gz GYBYGMSJWLKBGM-WFASDCNBSA-N 1 0 346.387 1.110 20 5 EDBDRO CC(C)COC[C@H](O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375402607 446776870 /nfs/dbraw/zinc/77/68/70/446776870.db2.gz KCCPZHHSANXVIW-DZGCQCFKSA-N 1 0 326.397 1.462 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]32)cc([N+](=O)[O-])c1F ZINC000368313065 446779793 /nfs/dbraw/zinc/77/97/93/446779793.db2.gz SJJGCUWKOHYBAZ-JOYOIKCWSA-N 1 0 329.353 1.025 20 5 EDBDRO O=C1[C@H]([N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000412031500 446792823 /nfs/dbraw/zinc/79/28/23/446792823.db2.gz ATOSAHQUFSEMCL-WRFANHODSA-N 1 0 345.399 1.793 20 5 EDBDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000420757842 446796370 /nfs/dbraw/zinc/79/63/70/446796370.db2.gz BZVKNJSMVFPXJY-NSHDSACASA-N 1 0 331.369 1.449 20 5 EDBDRO [NH3+][C@@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000424288547 446866594 /nfs/dbraw/zinc/86/65/94/446866594.db2.gz KOAVPIOAUIHBMF-ZIAGYGMSSA-N 1 0 327.406 1.228 20 5 EDBDRO C[C@H](F)CC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420968919 446939495 /nfs/dbraw/zinc/93/94/95/446939495.db2.gz ATBFBBYJMAIYIJ-NSHDSACASA-N 1 0 333.385 1.553 20 5 EDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000442758413 446953504 /nfs/dbraw/zinc/95/35/04/446953504.db2.gz AVHFNLIXOQJTJO-ZJUUUORDSA-N 1 0 326.784 1.856 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]21 ZINC000368590594 446964291 /nfs/dbraw/zinc/96/42/91/446964291.db2.gz KYQGJWRSRSUKKQ-BXUZGUMPSA-N 1 0 347.371 1.532 20 5 EDBDRO CC[C@H](NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000419156390 446973917 /nfs/dbraw/zinc/97/39/17/446973917.db2.gz BXKODIZPHWHRCI-HIFRSBDPSA-N 1 0 348.403 1.420 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC000421022858 446994415 /nfs/dbraw/zinc/99/44/15/446994415.db2.gz PEUXLQXMHWRKOJ-YPMHNXCESA-N 1 0 337.376 1.777 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000421294122 447107865 /nfs/dbraw/zinc/10/78/65/447107865.db2.gz FSNMRDBXWUCFRJ-ZDUSSCGKSA-N 1 0 334.376 1.394 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC1CC[NH+](Cc2cccs2)CC1 ZINC000368807431 447122251 /nfs/dbraw/zinc/12/22/51/447122251.db2.gz XCASSSOPKPNIAX-UHFFFAOYSA-N 1 0 349.416 1.634 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000425278719 447092791 /nfs/dbraw/zinc/09/27/91/447092791.db2.gz FCWZNHYRCVNNAG-WCQYABFASA-N 1 0 334.376 1.615 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000421403760 447152263 /nfs/dbraw/zinc/15/22/63/447152263.db2.gz XQHKODCPXVOEQA-GFCCVEGCSA-N 1 0 332.364 1.475 20 5 EDBDRO Nc1ccc(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000375969195 447181400 /nfs/dbraw/zinc/18/14/00/447181400.db2.gz NLJWSIFNUOSFCM-OAHLLOKOSA-N 1 0 326.356 1.794 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000375998720 447200768 /nfs/dbraw/zinc/20/07/68/447200768.db2.gz YTCXVYWWZFZHED-MRXNPFEDSA-N 1 0 326.356 1.915 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425542273 447219999 /nfs/dbraw/zinc/21/99/99/447219999.db2.gz HAJNQYYZSCGSMH-LBPRGKRZSA-N 1 0 344.375 1.839 20 5 EDBDRO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000372700869 447233637 /nfs/dbraw/zinc/23/36/37/447233637.db2.gz CZUNTHJFWRAABX-QWRGUYRKSA-N 1 0 340.405 1.281 20 5 EDBDRO COc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000368973249 447237562 /nfs/dbraw/zinc/23/75/62/447237562.db2.gz JEIFWZFEIBMHNP-NORZTCDRSA-N 1 0 349.387 1.568 20 5 EDBDRO COC[C@@]1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCC[NH2+]1 ZINC000415496799 447479182 /nfs/dbraw/zinc/47/91/82/447479182.db2.gz HAQAAAZEFHPMHM-HNNXBMFYSA-N 1 0 338.364 1.494 20 5 EDBDRO Cc1cnc(OCC(=O)NC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000426579039 447474958 /nfs/dbraw/zinc/47/49/58/447474958.db2.gz WJRDSZUKZAWCJL-UHFFFAOYSA-N 1 0 336.392 1.666 20 5 EDBDRO O=[N+]([O-])c1cc2ccccc2nc1NC[C@H]1CCCC[N@H+]1CCO ZINC000450608444 447536615 /nfs/dbraw/zinc/53/66/15/447536615.db2.gz CZUAPSPFSHSOKM-CQSZACIVSA-N 1 0 330.388 2.402 20 5 EDBDRO CNC(=O)c1ccc(NC[C@@H]2CCCC[N@@H+]2CCO)c([N+](=O)[O-])c1 ZINC000450613252 447538094 /nfs/dbraw/zinc/53/80/94/447538094.db2.gz LGYGROKHELMNSR-ZDUSSCGKSA-N 1 0 336.392 1.213 20 5 EDBDRO CS(=O)(=O)c1ccc(N2CCC3(C2)CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000420227658 447679139 /nfs/dbraw/zinc/67/91/39/447679139.db2.gz PEQAPAGVHVPGAC-UHFFFAOYSA-N 1 0 339.417 1.578 20 5 EDBDRO CS(=O)(=O)c1ccc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000420231835 447680851 /nfs/dbraw/zinc/68/08/51/447680851.db2.gz BJGIRPSQWGQPRR-PHIMTYICSA-N 1 0 325.390 1.329 20 5 EDBDRO Cc1nn(CCC(=O)NCC[C@H]2CCC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000458173235 447736031 /nfs/dbraw/zinc/73/60/31/447736031.db2.gz RGNPTOSZTZDTNW-CQSZACIVSA-N 1 0 337.424 1.646 20 5 EDBDRO COc1ccc(NC(=O)[C@@H](C)N(C)CC(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC000430563932 447779591 /nfs/dbraw/zinc/77/95/91/447779591.db2.gz KGPMGUNTPZBDRS-LLVKDONJSA-N 1 0 338.408 1.847 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)[NH+](C)C ZINC000451928467 447787042 /nfs/dbraw/zinc/78/70/42/447787042.db2.gz KPFNOYPCUYGYLY-JTQLQIEISA-N 1 0 338.389 1.371 20 5 EDBDRO COCC[NH+]1CCC(Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000486968684 447826957 /nfs/dbraw/zinc/82/69/57/447826957.db2.gz JRGDFHOLALKQKH-UHFFFAOYSA-N 1 0 347.375 2.168 20 5 EDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000525291481 447988001 /nfs/dbraw/zinc/98/80/01/447988001.db2.gz IHOFHEIMXLAYFW-ZDUSSCGKSA-N 1 0 343.387 1.852 20 5 EDBDRO CNc1nccc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000553391819 447989369 /nfs/dbraw/zinc/98/93/69/447989369.db2.gz JOMHNOFCBVPUNI-LBPRGKRZSA-N 1 0 335.408 1.882 20 5 EDBDRO COc1ccc(S(=O)(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000525307450 447994604 /nfs/dbraw/zinc/99/46/04/447994604.db2.gz OAUMARZHYBEEGF-NSHDSACASA-N 1 0 343.405 1.224 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000570826777 448070512 /nfs/dbraw/zinc/07/05/12/448070512.db2.gz KSFLPPXGQCFTNY-UHFFFAOYSA-N 1 0 339.417 1.795 20 5 EDBDRO C[N@@H+]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1(C)C ZINC000577010866 448192494 /nfs/dbraw/zinc/19/24/94/448192494.db2.gz UCHLUTPISHJXAL-HNNXBMFYSA-N 1 0 332.404 1.726 20 5 EDBDRO CCCCN1CCCC[C@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000571908913 448234696 /nfs/dbraw/zinc/23/46/96/448234696.db2.gz KTGQUUMULZKKCV-HOCLYGCPSA-N 1 0 339.440 1.396 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591292441 448309813 /nfs/dbraw/zinc/30/98/13/448309813.db2.gz PGYJVDFEEZVXSX-LBPRGKRZSA-N 1 0 334.376 1.408 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000591303901 448314620 /nfs/dbraw/zinc/31/46/20/448314620.db2.gz GHIKHWUYIRPJPI-QMTHXVAHSA-N 1 0 338.364 1.573 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000577512501 448319085 /nfs/dbraw/zinc/31/90/85/448319085.db2.gz AXPKXAOARCCFAQ-CVEARBPZSA-N 1 0 346.383 1.528 20 5 EDBDRO COc1ccc(CC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000572094016 448281327 /nfs/dbraw/zinc/28/13/27/448281327.db2.gz XIXIRXOPZIQSOI-OAHLLOKOSA-N 1 0 335.404 1.945 20 5 EDBDRO CCOc1cc(NC(=O)NC[C@H](C)[NH3+])c([N+](=O)[O-])cc1OCC ZINC000591274116 448303439 /nfs/dbraw/zinc/30/34/39/448303439.db2.gz VDNLAIBWMZGAJB-VIFPVBQESA-N 1 0 326.353 1.861 20 5 EDBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000591370590 448347138 /nfs/dbraw/zinc/34/71/38/448347138.db2.gz IHSOOSJKWPWKPF-NWDGAFQWSA-N 1 0 331.376 1.429 20 5 EDBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CCN(c2cc[nH+]cc2)CC1 ZINC000591458198 448370630 /nfs/dbraw/zinc/37/06/30/448370630.db2.gz ZNYMIXZCFKPHAD-UHFFFAOYSA-N 1 0 327.344 1.415 20 5 EDBDRO CC[C@@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000591351692 448336654 /nfs/dbraw/zinc/33/66/54/448336654.db2.gz WHOFPICVNFKJNU-IUODEOHRSA-N 1 0 336.392 1.742 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2OCCc3ccccc32)c1 ZINC000591739705 448479396 /nfs/dbraw/zinc/47/93/96/448479396.db2.gz UUBYSOFTGVSLQT-ZBFHGGJFSA-N 1 0 332.360 1.056 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(c3ccccn3)CCC2)c1 ZINC000591767438 448486941 /nfs/dbraw/zinc/48/69/41/448486941.db2.gz LFUJDDBEYJZUIS-CQSZACIVSA-N 1 0 331.376 1.259 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000584350637 448493899 /nfs/dbraw/zinc/49/38/99/448493899.db2.gz VXGQCIBEFFMGIA-JQWIXIFHSA-N 1 0 337.376 1.669 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000578319351 448514952 /nfs/dbraw/zinc/51/49/52/448514952.db2.gz HIKVMQVSHZPWBI-ZDUSSCGKSA-N 1 0 341.433 1.872 20 5 EDBDRO CNC(=O)c1ccc(N2CCOC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000591994860 448615365 /nfs/dbraw/zinc/61/53/65/448615365.db2.gz UXIQMANPVNRBLO-UHFFFAOYSA-N 1 0 348.403 1.255 20 5 EDBDRO Cc1nn(CCC(=O)N2CCCC[C@@H]2C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000517862696 448623839 /nfs/dbraw/zinc/62/38/39/448623839.db2.gz WXVVZJNHVUDYGD-CQSZACIVSA-N 1 0 337.424 1.741 20 5 EDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000539921865 448625013 /nfs/dbraw/zinc/62/50/13/448625013.db2.gz KJZKOJRPFCGYKX-NSHDSACASA-N 1 0 342.371 1.139 20 5 EDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1=CC[N@H+](C)CC1 ZINC000540968587 448661117 /nfs/dbraw/zinc/66/11/17/448661117.db2.gz STEPHDLMHWEREZ-LLVKDONJSA-N 1 0 347.371 1.746 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000518314192 448663257 /nfs/dbraw/zinc/66/32/57/448663257.db2.gz RWFMAZBCDNTITA-ZDUSSCGKSA-N 1 0 348.403 1.757 20 5 EDBDRO CN(C(=O)C[N@@H+]1CCCC[C@H]1C1(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000573686134 448690524 /nfs/dbraw/zinc/69/05/24/448690524.db2.gz YXEAJBNERQVPDR-HNNXBMFYSA-N 1 0 333.388 1.937 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000541819319 448696045 /nfs/dbraw/zinc/69/60/45/448696045.db2.gz MUYQYOULZIRLMJ-ZDUSSCGKSA-N 1 0 341.433 1.832 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N2CCC(C)([NH3+])CC2)cc1[N+](=O)[O-] ZINC000592379201 448812985 /nfs/dbraw/zinc/81/29/85/448812985.db2.gz JUZKNUPOPGGZKU-UHFFFAOYSA-N 1 0 347.368 1.244 20 5 EDBDRO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000592277678 448770739 /nfs/dbraw/zinc/77/07/39/448770739.db2.gz YEKUIHCEYPIQMY-LSDHHAIUSA-N 1 0 347.419 1.591 20 5 EDBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000545279520 448783094 /nfs/dbraw/zinc/78/30/94/448783094.db2.gz YSWWTYCNHHHOKD-UHFFFAOYSA-N 1 0 335.360 1.881 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC(C)([NH3+])CC1 ZINC000592329249 448793648 /nfs/dbraw/zinc/79/36/48/448793648.db2.gz SNHZIJCIACSFTG-LLVKDONJSA-N 1 0 338.412 1.167 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592381956 448814756 /nfs/dbraw/zinc/81/47/56/448814756.db2.gz BOJMOWVZSWTYHH-ONGXEEELSA-N 1 0 347.824 1.996 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC[C@H]1[NH3+] ZINC000592382658 448815814 /nfs/dbraw/zinc/81/58/14/448815814.db2.gz SULOKSGYXSOBLU-WCQYABFASA-N 1 0 327.406 1.651 20 5 EDBDRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CN1 ZINC000579670404 448845056 /nfs/dbraw/zinc/84/50/56/448845056.db2.gz NUOVGOAJTJUIHA-IAQYHMDHSA-N 1 0 343.387 1.962 20 5 EDBDRO Cc1c(CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)cccc1[N+](=O)[O-] ZINC000520226491 448873561 /nfs/dbraw/zinc/87/35/61/448873561.db2.gz VRUJGBPGFNTPGU-AGUYFDCRSA-N 1 0 331.372 1.334 20 5 EDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H]2CNc3ccnn3C2)CC1 ZINC000592514829 448874221 /nfs/dbraw/zinc/87/42/21/448874221.db2.gz CHUPBJXIYTZONV-CYBMUJFWSA-N 1 0 343.391 1.050 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(C)([NH3+])CC1 ZINC000592543835 448889967 /nfs/dbraw/zinc/88/99/67/448889967.db2.gz PBLMPRJKCZZLDT-LLVKDONJSA-N 1 0 334.376 1.053 20 5 EDBDRO CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1(C[NH3+])CCC1 ZINC000579839746 448893419 /nfs/dbraw/zinc/89/34/19/448893419.db2.gz SAZALWZHEGNTQP-UHFFFAOYSA-N 1 0 330.344 1.802 20 5 EDBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1ccco1 ZINC000548059201 448977498 /nfs/dbraw/zinc/97/74/98/448977498.db2.gz OLENCNAXNJPZJQ-LBPRGKRZSA-N 1 0 347.375 1.978 20 5 EDBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588860501 448942254 /nfs/dbraw/zinc/94/22/54/448942254.db2.gz GLWJJXYQPLTCEJ-QWHCGFSZSA-N 1 0 344.371 1.357 20 5 EDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000521005420 448945640 /nfs/dbraw/zinc/94/56/40/448945640.db2.gz ZDIPGMQIGFGVOG-OLZOCXBDSA-N 1 0 336.392 1.790 20 5 EDBDRO C[NH+](C)CC1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593566793 449075456 /nfs/dbraw/zinc/07/54/56/449075456.db2.gz IURFOUQHAUSQRE-UHFFFAOYSA-N 1 0 342.421 1.389 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000589930332 449083800 /nfs/dbraw/zinc/08/38/00/449083800.db2.gz WKOQFFUGQBRWFA-OLZOCXBDSA-N 1 0 339.417 1.536 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000590010539 449095587 /nfs/dbraw/zinc/09/55/87/449095587.db2.gz ODDXCBCXJMXGFA-JSGCOSHPSA-N 1 0 329.360 1.781 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[C@@H]2C1 ZINC000590012028 449096942 /nfs/dbraw/zinc/09/69/42/449096942.db2.gz OATXZNFWFANRCX-TZMCWYRMSA-N 1 0 329.360 1.781 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000599933661 449114223 /nfs/dbraw/zinc/11/42/23/449114223.db2.gz HFLVUZRHFWFQLO-JKSUJKDBSA-N 1 0 347.419 1.567 20 5 EDBDRO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599938489 449116899 /nfs/dbraw/zinc/11/68/99/449116899.db2.gz CAIHGXSLXYTWNH-LTIDMASMSA-N 1 0 345.399 1.366 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590282242 449124496 /nfs/dbraw/zinc/12/44/96/449124496.db2.gz UPPDUIOTYHGNPS-SMDDNHRTSA-N 1 0 332.360 1.004 20 5 EDBDRO O=C(C[NH2+][C@H]1C[C@@H](O)C12CCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595780795 449161958 /nfs/dbraw/zinc/16/19/58/449161958.db2.gz IHPJCKPOZQXREK-LSDHHAIUSA-N 1 0 331.372 1.377 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)[C@@H]2C1 ZINC000590442375 449164782 /nfs/dbraw/zinc/16/47/82/449164782.db2.gz FYCLISYQHSFZHO-ZWNOBZJWSA-N 1 0 333.344 1.142 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCC1(C[NH3+])CC1 ZINC000593730876 449165507 /nfs/dbraw/zinc/16/55/07/449165507.db2.gz MCGXWJLMUVZOCK-UHFFFAOYSA-N 1 0 327.406 1.619 20 5 EDBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000590387769 449143559 /nfs/dbraw/zinc/14/35/59/449143559.db2.gz JPYOHWIWGJCBAC-AWEZNQCLSA-N 1 0 347.415 1.849 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000590400835 449148560 /nfs/dbraw/zinc/14/85/60/449148560.db2.gz ZKHGNIBFSYDHQA-UKRRQHHQSA-N 1 0 349.387 1.295 20 5 EDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590402244 449148587 /nfs/dbraw/zinc/14/85/87/449148587.db2.gz BNDVDBNHPVFYRJ-DOMZBBRYSA-N 1 0 348.403 1.266 20 5 EDBDRO COc1cc(C(=O)NCCN(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000597989325 449172936 /nfs/dbraw/zinc/17/29/36/449172936.db2.gz CYTPSLZBTZVRPE-UHFFFAOYSA-N 1 0 338.408 1.217 20 5 EDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000590588680 449204284 /nfs/dbraw/zinc/20/42/84/449204284.db2.gz HTXCICXIKPHDKA-YPMHNXCESA-N 1 0 327.406 1.449 20 5 EDBDRO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000595848184 449205744 /nfs/dbraw/zinc/20/57/44/449205744.db2.gz BQXPWSVQJNBRTM-AWEZNQCLSA-N 1 0 348.403 1.430 20 5 EDBDRO C[C@H](CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[NH+](C)C ZINC000598001264 449187831 /nfs/dbraw/zinc/18/78/31/449187831.db2.gz YHOMUTBDBOTSIF-SNVBAGLBSA-N 1 0 343.405 1.068 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC([NH+]2CCOCC2)CC1 ZINC000600104965 449190846 /nfs/dbraw/zinc/19/08/46/449190846.db2.gz DLWGRDYJAJJZMA-UHFFFAOYSA-N 1 0 349.387 1.297 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595906592 449244712 /nfs/dbraw/zinc/24/47/12/449244712.db2.gz LOTSFUUNSKKQSF-YUSALJHKSA-N 1 0 340.355 1.302 20 5 EDBDRO Cc1cc(N2CC[N@@H+](C)C[C@@H]2CO)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601979690 449260381 /nfs/dbraw/zinc/26/03/81/449260381.db2.gz LAHVVZFXKNFRQT-OAHLLOKOSA-N 1 0 343.387 1.473 20 5 EDBDRO C[NH+](C)CCN1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1=O ZINC000593486123 449304438 /nfs/dbraw/zinc/30/44/38/449304438.db2.gz LBSDMIDEHDVKNC-UHFFFAOYSA-N 1 0 343.387 1.353 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000600271904 449283969 /nfs/dbraw/zinc/28/39/69/449283969.db2.gz BTMGMVGEZNEABG-GFCCVEGCSA-N 1 0 339.417 1.503 20 5 EDBDRO CC(C)(NC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000602112450 449354649 /nfs/dbraw/zinc/35/46/49/449354649.db2.gz HULLVSNRSZKDLF-HUUCEWRRSA-N 1 0 333.388 1.809 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600472048 449396837 /nfs/dbraw/zinc/39/68/37/449396837.db2.gz MJZBJDNJVAOFJT-CQSZACIVSA-N 1 0 335.408 1.623 20 5 EDBDRO COc1c(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cccc1[N+](=O)[O-] ZINC000598451131 449400691 /nfs/dbraw/zinc/40/06/91/449400691.db2.gz POCQUAABJIHMGZ-ZDUSSCGKSA-N 1 0 349.387 1.275 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](C(C)(C)CO)CC2)c1 ZINC000611753453 449407223 /nfs/dbraw/zinc/40/72/23/449407223.db2.gz AMNYPOASYIZXBN-UHFFFAOYSA-N 1 0 337.376 1.274 20 5 EDBDRO COC(=O)[C@](C)(NC(=O)C[N@@H+]1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000600531290 449428148 /nfs/dbraw/zinc/42/81/48/449428148.db2.gz AEYVXNTVECKSNT-YVEFUNNKSA-N 1 0 349.387 1.441 20 5 EDBDRO CC(C)[NH+]1CCN([C@H]2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC000596157755 449389092 /nfs/dbraw/zinc/38/90/92/449389092.db2.gz DRZIPXWCSGXDNN-ZDUSSCGKSA-N 1 0 335.408 1.300 20 5 EDBDRO CC[C@@H](CO)[NH+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611709885 449390441 /nfs/dbraw/zinc/39/04/41/449390441.db2.gz WWHMVZUPHMJSFP-LBPRGKRZSA-N 1 0 331.376 1.431 20 5 EDBDRO O=[N+]([O-])c1ccccc1/C=C\CNCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000600681166 449488164 /nfs/dbraw/zinc/48/81/64/449488164.db2.gz XQTBGOVKBOFBCS-QTLSWZBMSA-N 1 0 328.376 1.524 20 5 EDBDRO Cc1nn(C)c(N2CCC(CO)([NH2+]CC(C)C)CC2)c1[N+](=O)[O-] ZINC000596252901 449440762 /nfs/dbraw/zinc/44/07/62/449440762.db2.gz NITOXXBSFQNZKE-UHFFFAOYSA-N 1 0 325.413 1.214 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000594451433 449526646 /nfs/dbraw/zinc/52/66/46/449526646.db2.gz ZBUKHACUJFRHEH-JTQLQIEISA-N 1 0 349.265 1.391 20 5 EDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1ccn(-c3ccccc3[N+](=O)[O-])n1)C2 ZINC000598667807 449529640 /nfs/dbraw/zinc/52/96/40/449529640.db2.gz LKUPITDWEPDQGV-SJCJKPOMSA-N 1 0 341.371 1.734 20 5 EDBDRO [NH3+]C1(CNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000598669261 449530830 /nfs/dbraw/zinc/53/08/30/449530830.db2.gz YKEYHRXPFQMRJO-UHFFFAOYSA-N 1 0 335.364 1.104 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594532272 449565446 /nfs/dbraw/zinc/56/54/46/449565446.db2.gz LHNWXJXCAUFZCU-SNVBAGLBSA-N 1 0 348.281 1.102 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598713941 449558799 /nfs/dbraw/zinc/55/87/99/449558799.db2.gz FCRFOHICRLQDHK-PWSUYJOCSA-N 1 0 327.406 1.488 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000598715024 449559234 /nfs/dbraw/zinc/55/92/34/449559234.db2.gz LPLXFHCLVNGCGW-STQMWFEESA-N 1 0 339.417 1.584 20 5 EDBDRO CCN(C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CC[N@H+](C)C1 ZINC000596585914 449563218 /nfs/dbraw/zinc/56/32/18/449563218.db2.gz BYEKZTMMHPCDGY-GFCCVEGCSA-N 1 0 346.391 1.707 20 5 EDBDRO CC[NH2+]Cc1ccn(Cc2cn(Cc3ccc([N+](=O)[O-])cc3)nn2)n1 ZINC000594651848 449608072 /nfs/dbraw/zinc/60/80/72/449608072.db2.gz MNOSYGUJEJBSIW-UHFFFAOYSA-N 1 0 341.375 1.589 20 5 EDBDRO C[C@H]1CC[C@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C[NH2+]1 ZINC000600954525 449615491 /nfs/dbraw/zinc/61/54/91/449615491.db2.gz DNUBHHZXNZFYGN-ZFWWWQNUSA-N 1 0 334.420 1.979 20 5 EDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[C@@H]1C[NH3+] ZINC000600961478 449617601 /nfs/dbraw/zinc/61/76/01/449617601.db2.gz RMUMVLMNZSQVNI-OLZOCXBDSA-N 1 0 332.404 1.862 20 5 EDBDRO C[NH+]1CCN(CCNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000600978432 449630215 /nfs/dbraw/zinc/63/02/15/449630215.db2.gz STVHFNOLDLRDIN-UHFFFAOYSA-N 1 0 346.431 1.380 20 5 EDBDRO Cn1c(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000602540292 449661711 /nfs/dbraw/zinc/66/17/11/449661711.db2.gz LFEDWAQYAJFJIE-BDAKNGLRSA-N 1 0 334.298 1.533 20 5 EDBDRO C[C@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000594748177 449664670 /nfs/dbraw/zinc/66/46/70/449664670.db2.gz KVBZFWBIFFWWPH-NWDGAFQWSA-N 1 0 342.421 1.531 20 5 EDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCN(CCN3CCOCC3)C2)cc1 ZINC000602547037 449667153 /nfs/dbraw/zinc/66/71/53/449667153.db2.gz WTGPJYFTKGJKDM-KRWDZBQOSA-N 1 0 348.447 1.133 20 5 EDBDRO O=C(NC[C@@H]1COCC[NH2+]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602549049 449667832 /nfs/dbraw/zinc/66/78/32/449667832.db2.gz BKAINFYNEQENEN-SECBINFHSA-N 1 0 333.266 1.332 20 5 EDBDRO C[NH2+]CCOCCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602560172 449674396 /nfs/dbraw/zinc/67/43/96/449674396.db2.gz CQJPVYRDFUIMQE-UHFFFAOYSA-N 1 0 347.824 1.693 20 5 EDBDRO Cc1ccc(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)cc1[N+](=O)[O-] ZINC000598991204 449684567 /nfs/dbraw/zinc/68/45/67/449684567.db2.gz WENOFQQDPGGOMX-GOSISDBHSA-N 1 0 349.431 1.609 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c(C)cc1[N+](=O)[O-] ZINC000599106132 449737852 /nfs/dbraw/zinc/73/78/52/449737852.db2.gz SHDZSFYMNDAQRF-NEPJUHHUSA-N 1 0 327.406 1.630 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601126404 449704436 /nfs/dbraw/zinc/70/44/36/449704436.db2.gz XWMNEBDHZOCKOE-OAHLLOKOSA-N 1 0 347.415 1.853 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)cc1[N+](=O)[O-] ZINC000601149563 449718483 /nfs/dbraw/zinc/71/84/83/449718483.db2.gz MXHSFXRWJNWKNY-NQBHXWOUSA-N 1 0 338.360 1.802 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1COCCN1C ZINC000599076697 449719300 /nfs/dbraw/zinc/71/93/00/449719300.db2.gz FAHKLGYEPQTQEM-WFASDCNBSA-N 1 0 336.392 1.232 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599102242 449733068 /nfs/dbraw/zinc/73/30/68/449733068.db2.gz CIHOTNDTTVPTSQ-DTWKUNHWSA-N 1 0 347.368 1.161 20 5 EDBDRO COC(=O)[C@@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)CC[N@H+](C)C1 ZINC000601176377 449734739 /nfs/dbraw/zinc/73/47/39/449734739.db2.gz OWUKBOUZLGGYGQ-LBPRGKRZSA-N 1 0 344.371 1.684 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599104830 449736337 /nfs/dbraw/zinc/73/63/37/449736337.db2.gz ONSCABHAISLLGP-SCZZXKLOSA-N 1 0 347.824 1.975 20 5 EDBDRO COCC[N@H+](C)CCCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601104427 449691761 /nfs/dbraw/zinc/69/17/61/449691761.db2.gz WVOBTTXFXDMZDV-UHFFFAOYSA-N 1 0 339.318 1.727 20 5 EDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602595325 449693345 /nfs/dbraw/zinc/69/33/45/449693345.db2.gz HRLAYHADKBEETF-GXSJLCMTSA-N 1 0 327.768 1.965 20 5 EDBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000602762558 449789544 /nfs/dbraw/zinc/78/95/44/449789544.db2.gz MWAZYSOTLNKRRL-CYBMUJFWSA-N 1 0 328.376 1.496 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2CC)cc1[N+](=O)[O-] ZINC000599107813 449740210 /nfs/dbraw/zinc/74/02/10/449740210.db2.gz NPOQNGMXVKGQMA-QWHCGFSZSA-N 1 0 327.406 1.576 20 5 EDBDRO C[C@@H]1OCC[C@@H]1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000602796699 449817246 /nfs/dbraw/zinc/81/72/46/449817246.db2.gz YLYHESVWXLFAES-DZGCQCFKSA-N 1 0 333.388 1.778 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])s1 ZINC000601307768 449818517 /nfs/dbraw/zinc/81/85/17/449818517.db2.gz HBQLXZWTYAPRCE-WDEREUQCSA-N 1 0 345.446 1.870 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601334923 449843287 /nfs/dbraw/zinc/84/32/87/449843287.db2.gz OPFJUXFZVDDUPA-CZUORRHYSA-N 1 0 332.404 1.916 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])s1 ZINC000601334981 449843609 /nfs/dbraw/zinc/84/36/09/449843609.db2.gz PNNAJVSXOJBAHX-LLVKDONJSA-N 1 0 345.446 1.824 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000612611835 449798763 /nfs/dbraw/zinc/79/87/63/449798763.db2.gz OVXSZUYGLUJGNV-LLVKDONJSA-N 1 0 340.355 1.966 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000601347848 449859735 /nfs/dbraw/zinc/85/97/35/449859735.db2.gz NQGUBQFZIWXFEQ-TXEJJXNPSA-N 1 0 325.390 1.337 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])s1 ZINC000601342967 449852437 /nfs/dbraw/zinc/85/24/37/449852437.db2.gz HKHYCSBAEITBHS-CYBMUJFWSA-N 1 0 345.446 1.729 20 5 EDBDRO CCN1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])[C@H](C)C1 ZINC000601413930 449929655 /nfs/dbraw/zinc/92/96/55/449929655.db2.gz LRBUXYKNSBLRCR-SECBINFHSA-N 1 0 333.435 1.679 20 5 EDBDRO CCN(C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C)[C@H]1CC[N@H+](C)C1 ZINC000597300440 449929626 /nfs/dbraw/zinc/92/96/26/449929626.db2.gz JFZNIGGUPYGQSK-AWEZNQCLSA-N 1 0 348.403 1.072 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000595195094 449937407 /nfs/dbraw/zinc/93/74/07/449937407.db2.gz ZBJDMJAIYXPJHD-ZDUSSCGKSA-N 1 0 348.403 1.751 20 5 EDBDRO C[NH+](C)CC1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000601423652 449942482 /nfs/dbraw/zinc/94/24/82/449942482.db2.gz FZMOPOUAWXRHEA-UHFFFAOYSA-N 1 0 333.797 1.430 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000595149954 449902848 /nfs/dbraw/zinc/90/28/48/449902848.db2.gz AUFCWKWRJXBAQN-UHFFFAOYSA-N 1 0 334.376 1.170 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000602906104 449911757 /nfs/dbraw/zinc/91/17/57/449911757.db2.gz QAMLAIGGYFIHMU-AWEZNQCLSA-N 1 0 325.413 1.142 20 5 EDBDRO C[C@](CO)([NH2+]C[C@H](O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000602961458 449962802 /nfs/dbraw/zinc/96/28/02/449962802.db2.gz ADMFQVBLOOIIOY-QZTJIDSGSA-N 1 0 330.384 1.996 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595242066 449970105 /nfs/dbraw/zinc/97/01/05/449970105.db2.gz POOPTSQLCNOJNT-GFCCVEGCSA-N 1 0 336.392 1.640 20 5 EDBDRO Cn1c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000595271382 449992087 /nfs/dbraw/zinc/99/20/87/449992087.db2.gz ZCJQDQQTEFKMNM-ZIAGYGMSSA-N 1 0 346.362 1.948 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601556098 450070194 /nfs/dbraw/zinc/07/01/94/450070194.db2.gz JPCCABAMNYPTTG-JQWIXIFHSA-N 1 0 333.344 1.538 20 5 EDBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CCC[N@H+](CCOC)C2)c1[N+](=O)[O-] ZINC000609478995 450034003 /nfs/dbraw/zinc/03/40/03/450034003.db2.gz DKOCJCHXROUHCZ-LLVKDONJSA-N 1 0 339.396 1.111 20 5 EDBDRO C[NH+]1CCC(N(C(=O)Cn2cnc([N+](=O)[O-])n2)c2ccccc2)CC1 ZINC000609566813 450052990 /nfs/dbraw/zinc/05/29/90/450052990.db2.gz OHWOANMYXWZNFO-UHFFFAOYSA-N 1 0 344.375 1.314 20 5 EDBDRO C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC[NH+](C)CC1 ZINC000609583512 450059900 /nfs/dbraw/zinc/05/99/00/450059900.db2.gz NEOHPHQTBQQLPT-LLVKDONJSA-N 1 0 349.387 1.826 20 5 EDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000599609847 450101911 /nfs/dbraw/zinc/10/19/11/450101911.db2.gz BWZWRXWDBPHZLX-CYBMUJFWSA-N 1 0 349.391 1.034 20 5 EDBDRO CCOC[C@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000599618151 450106694 /nfs/dbraw/zinc/10/66/94/450106694.db2.gz KMOATRLFKXWDIU-ZIAGYGMSSA-N 1 0 340.376 1.072 20 5 EDBDRO C[C@@H](C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000597574039 450117633 /nfs/dbraw/zinc/11/76/33/450117633.db2.gz MDHSMRHITBWLTH-CXAGYDPISA-N 1 0 335.404 1.613 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[NH+](CCCF)CC1 ZINC000599666672 450139836 /nfs/dbraw/zinc/13/98/36/450139836.db2.gz AVXRMFKQRPJOHY-AWEZNQCLSA-N 1 0 341.383 1.312 20 5 EDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)NS(C)(=O)=O ZINC000615724123 450212980 /nfs/dbraw/zinc/21/29/80/450212980.db2.gz MKTFMXRRAJIZOI-WQLSENKSSA-N 1 0 341.433 1.916 20 5 EDBDRO CN(C(=O)C[N@H+](C1CC1)C1(CO)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000595533869 450213286 /nfs/dbraw/zinc/21/32/86/450213286.db2.gz PEPXAEVIAMIGAO-UHFFFAOYSA-N 1 0 333.388 1.937 20 5 EDBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCC1CCC1 ZINC000595548030 450223505 /nfs/dbraw/zinc/22/35/05/450223505.db2.gz ZJGDROIAPZADCV-UHFFFAOYSA-N 1 0 341.433 1.995 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000619487010 450487617 /nfs/dbraw/zinc/48/76/17/450487617.db2.gz RTHPOYJYOIRPGK-WDEREUQCSA-N 1 0 343.405 1.364 20 5 EDBDRO CNc1nccc(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598259923 486706084 /nfs/dbraw/zinc/70/60/84/486706084.db2.gz GDHZWTCJUZVENC-GFCCVEGCSA-N 1 0 335.408 1.882 20 5 EDBDRO COc1cc(S(=O)(=O)N2CCC(CC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000575188325 485494677 /nfs/dbraw/zinc/49/46/77/485494677.db2.gz TYHJBLVTKWJSSS-UHFFFAOYSA-N 1 0 343.405 1.353 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)c1ccnn1C ZINC000459716255 486636699 /nfs/dbraw/zinc/63/66/99/486636699.db2.gz PWRHAMCZUPVEHW-SMDDNHRTSA-N 1 0 347.375 1.369 20 5 EDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000237921486 491009261 /nfs/dbraw/zinc/00/92/61/491009261.db2.gz LXWNPVHEIBVITE-ZDUSSCGKSA-N 1 0 329.360 1.652 20 5 EDBDRO CC(C)(C(=O)NCC1CC[NH+](CCO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000340291303 534326941 /nfs/dbraw/zinc/32/69/41/534326941.db2.gz PRNSRHCFRGUWMN-UHFFFAOYSA-N 1 0 349.431 1.693 20 5 EDBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000163915074 534760674 /nfs/dbraw/zinc/76/06/74/534760674.db2.gz LYAFZAIJYWXKPC-BETUJISGSA-N 1 0 341.371 1.747 20 5 EDBDRO CCOc1ccccc1C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174740043 528723204 /nfs/dbraw/zinc/72/32/04/528723204.db2.gz XRKAUCOHRUDGHX-OAHLLOKOSA-N 1 0 334.376 1.683 20 5 EDBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000173512040 528968878 /nfs/dbraw/zinc/96/88/78/528968878.db2.gz SNENRRJHZKFQQT-UHFFFAOYSA-N 1 0 341.433 1.995 20 5 EDBDRO CCCN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000269185776 535201617 /nfs/dbraw/zinc/20/16/17/535201617.db2.gz SJCAJFVQJCUFMZ-OAHLLOKOSA-N 1 0 348.403 1.315 20 5 EDBDRO CCN1CC[NH+](C[C@H](C)CNc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000263981785 535718810 /nfs/dbraw/zinc/71/88/10/535718810.db2.gz BNFMFYXIAQGCLJ-GFCCVEGCSA-N 1 0 348.407 1.817 20 5 EDBDRO CCC[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1CCOC ZINC000347580268 535742456 /nfs/dbraw/zinc/74/24/56/535742456.db2.gz LBRXYHUYQCLJSF-ZDUSSCGKSA-N 1 0 325.413 1.261 20 5 EDBDRO C[NH+](C)CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000035870210 535888536 /nfs/dbraw/zinc/88/85/36/535888536.db2.gz ZKBJJKRIMDDCOZ-DOTOQJQBSA-N 1 0 346.431 1.804 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000264123273 535904069 /nfs/dbraw/zinc/90/40/69/535904069.db2.gz OCSVJXFTUQWCIK-UHFFFAOYSA-N 1 0 333.392 1.923 20 5 EDBDRO C[NH+](C)CCOc1ccc(CNc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC000263726352 535904796 /nfs/dbraw/zinc/90/47/96/535904796.db2.gz PGWQUYXITPXGSY-UHFFFAOYSA-N 1 0 332.364 1.520 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000247107622 536376484 /nfs/dbraw/zinc/37/64/84/536376484.db2.gz OZAPJLOPPFMYJF-IUODEOHRSA-N 1 0 346.387 1.476 20 5 EDBDRO COc1ccc(CC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000727675784 578537102 /nfs/dbraw/zinc/53/71/02/578537102.db2.gz SHMFERNJYFBPEL-KBPBESRZSA-N 1 0 349.387 1.125 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC000730035661 578607897 /nfs/dbraw/zinc/60/78/97/578607897.db2.gz BVKJCRIUTONUBI-GFCCVEGCSA-N 1 0 336.392 1.326 20 5 EDBDRO CC[C@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000732038480 578688070 /nfs/dbraw/zinc/68/80/70/578688070.db2.gz JCSKYSULHOMHQG-ZDUSSCGKSA-N 1 0 333.392 1.790 20 5 EDBDRO Nc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000733158057 578744551 /nfs/dbraw/zinc/74/45/51/578744551.db2.gz JEBJYQKGUSYENO-CQSZACIVSA-N 1 0 348.403 1.550 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000748843935 579703549 /nfs/dbraw/zinc/70/35/49/579703549.db2.gz JHRCEMRAYGXNLJ-NSHDSACASA-N 1 0 336.348 1.963 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](O)COc2ccccc2)c1 ZINC000749671470 579734313 /nfs/dbraw/zinc/73/43/13/579734313.db2.gz PDVKADIZPNXLGI-WBVHZDCISA-N 1 0 332.356 1.658 20 5 EDBDRO COC1CC[NH+](CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000751059177 579793138 /nfs/dbraw/zinc/79/31/38/579793138.db2.gz XAOXRXVSFCFAJC-DAXSKMNVSA-N 1 0 333.388 1.835 20 5 EDBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768851106 580222462 /nfs/dbraw/zinc/22/24/62/580222462.db2.gz CXJWMNJRAMMRAX-SNVBAGLBSA-N 1 0 333.435 1.809 20 5 EDBDRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768881592 580223408 /nfs/dbraw/zinc/22/34/08/580223408.db2.gz BOGRVBCQZDENBT-UHFFFAOYSA-N 1 0 345.446 1.905 20 5 EDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778274648 580460504 /nfs/dbraw/zinc/46/05/04/580460504.db2.gz CACSNEMNYRXJJG-LLVKDONJSA-N 1 0 337.405 1.916 20 5 EDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000771393420 580285637 /nfs/dbraw/zinc/28/56/37/580285637.db2.gz CTNNUTZDPVSGBJ-NWDGAFQWSA-N 1 0 335.360 1.337 20 5 EDBDRO C[NH+](C)C1CC(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000773490654 580338752 /nfs/dbraw/zinc/33/87/52/580338752.db2.gz VRJHXYSJWKQNHX-NWHVRFAMSA-N 1 0 332.360 1.297 20 5 EDBDRO C[N@@H+]1CCC[C@@H](N2CCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000776591105 580422932 /nfs/dbraw/zinc/42/29/32/580422932.db2.gz ATNROOZTTGRTNE-QZTJIDSGSA-N 1 0 348.447 1.340 20 5 EDBDRO C[N@@H+]1CCC[C@@H](N2CCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000776591101 580422960 /nfs/dbraw/zinc/42/29/60/580422960.db2.gz ATNROOZTTGRTNE-MSOLQXFVSA-N 1 0 348.447 1.340 20 5 EDBDRO CC[C@@]1(O)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000782550645 580577486 /nfs/dbraw/zinc/57/74/86/580577486.db2.gz DSVLQBUCFWMDHC-OAHLLOKOSA-N 1 0 325.340 1.909 20 5 EDBDRO O=C(CC[N@H+]1CCC[C@H]1CCO)Nc1cc([N+](=O)[O-])ccc1F ZINC000782552982 580577531 /nfs/dbraw/zinc/57/75/31/580577531.db2.gz ZBHUZTJSEJSNSL-NSHDSACASA-N 1 0 325.340 1.909 20 5 EDBDRO C/C(=C/C(=O)NCCN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785099367 580635776 /nfs/dbraw/zinc/63/57/76/580635776.db2.gz RCUSIVAXHJNLPU-YPKPFQOOSA-N 1 0 332.404 1.362 20 5 EDBDRO O=C1C[C@]2(CC[N@@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)CN1 ZINC000788382015 580720194 /nfs/dbraw/zinc/72/01/94/580720194.db2.gz JXNUFGJIPVPBQM-MRXNPFEDSA-N 1 0 342.359 1.023 20 5 EDBDRO CCNS(=O)(=O)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788588736 580725253 /nfs/dbraw/zinc/72/52/53/580725253.db2.gz OAYQSUZGDOCIFS-AWEZNQCLSA-N 1 0 341.433 1.846 20 5 EDBDRO C[C@H]1OCC[C@@]1(O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000788622338 580726137 /nfs/dbraw/zinc/72/61/37/580726137.db2.gz AQNIHHDWZPKHNB-CXAGYDPISA-N 1 0 335.404 1.693 20 5 EDBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792879824 580829996 /nfs/dbraw/zinc/82/99/96/580829996.db2.gz LVRQHPCSQYKXQP-JSGCOSHPSA-N 1 0 325.321 1.787 20 5 EDBDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(N)=O ZINC000795509495 580926476 /nfs/dbraw/zinc/92/64/76/580926476.db2.gz WIAOCZAPWYFJFE-UHFFFAOYSA-N 1 0 326.328 1.260 20 5 EDBDRO CN1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000893266737 590744501 /nfs/dbraw/zinc/74/45/01/590744501.db2.gz SZVRRNDIUIMMES-UHFFFAOYSA-N 1 0 349.435 1.026 20 5 EDBDRO CC[C@H](CO)[NH+]1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000892131510 590813946 /nfs/dbraw/zinc/81/39/46/590813946.db2.gz KOQSHPRUADMUMH-CYBMUJFWSA-N 1 0 339.392 1.198 20 5 EDBDRO Cc1cc(OCC(=O)N[C@]2(C)C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000892767922 591168743 /nfs/dbraw/zinc/16/87/43/591168743.db2.gz FVVDJLGYRCYMNJ-QGZVFWFLSA-N 1 0 333.388 1.883 20 5 EDBDRO CC[NH2+]CCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841152474 591230269 /nfs/dbraw/zinc/23/02/69/591230269.db2.gz IMZPDHQRSBDWGA-UHFFFAOYSA-N 1 0 328.756 1.303 20 5 EDBDRO C[C@@H]1[C@@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000895734763 591264668 /nfs/dbraw/zinc/26/46/68/591264668.db2.gz AEJYCYWOHLEYJQ-HIFRSBDPSA-N 1 0 334.420 1.932 20 5 EDBDRO CC[C@@H](CN1CCOCC1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000895804970 591277027 /nfs/dbraw/zinc/27/70/27/591277027.db2.gz XQLWMEMLRIPNJG-JTQLQIEISA-N 1 0 325.394 1.827 20 5 EDBDRO COc1c(O)ccc(C[N@@H+](C)C2CCN(OC)CC2)c1[N+](=O)[O-] ZINC000894813239 591426475 /nfs/dbraw/zinc/42/64/75/591426475.db2.gz PMGRHVSHEHGEML-UHFFFAOYSA-N 1 0 325.365 1.767 20 5 EDBDRO CCc1ccc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000896553372 591518343 /nfs/dbraw/zinc/51/83/43/591518343.db2.gz BFYSHBDNKONXSN-MLGOLLRUSA-N 1 0 334.420 1.521 20 5 EDBDRO CCc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000896553371 591518378 /nfs/dbraw/zinc/51/83/78/591518378.db2.gz BFYSHBDNKONXSN-LRDDRELGSA-N 1 0 334.420 1.521 20 5 EDBDRO Cc1nn(CCC(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)c(C)c1[N+](=O)[O-] ZINC000898840658 591559100 /nfs/dbraw/zinc/55/91/00/591559100.db2.gz JLTWGDHDWHJGIQ-ZIAGYGMSSA-N 1 0 349.435 1.787 20 5 EDBDRO CN1C[C@@H]2CN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896912656 591677113 /nfs/dbraw/zinc/67/71/13/591677113.db2.gz CBHCNKGRKUDLKH-RNCFNFMXSA-N 1 0 345.446 1.448 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)n1 ZINC000895269973 591694046 /nfs/dbraw/zinc/69/40/46/591694046.db2.gz WHFVLJMYQIBCHA-LBPRGKRZSA-N 1 0 344.375 1.557 20 5 EDBDRO CCOC(=O)c1ccnc(N2CCC23CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000897133998 591747308 /nfs/dbraw/zinc/74/73/08/591747308.db2.gz WBGJNVKNFOIEMQ-UHFFFAOYSA-N 1 0 334.376 1.841 20 5 EDBDRO Cn1c2cc(NC[C@H]3CCCCC[NH2+]3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000900431473 592016502 /nfs/dbraw/zinc/01/65/02/592016502.db2.gz MPHXRBSXJSLUHF-LLVKDONJSA-N 1 0 333.392 1.729 20 5 EDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCNCC[NH2+]CC1 ZINC000900476404 592036104 /nfs/dbraw/zinc/03/61/04/592036104.db2.gz ZGHMQIZERATYFP-UHFFFAOYSA-N 1 0 327.772 1.275 20 5 EDBDRO C[NH+]1CCC(NCc2cn(Cc3ccc([N+](=O)[O-])cc3F)nn2)CC1 ZINC000900546631 592045246 /nfs/dbraw/zinc/04/52/46/592045246.db2.gz NLGILWAFHRFBMO-UHFFFAOYSA-N 1 0 348.382 1.558 20 5 EDBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000900686981 592094530 /nfs/dbraw/zinc/09/45/30/592094530.db2.gz QMUCTUMTAKSJIJ-CQSZACIVSA-N 1 0 348.447 1.967 20 5 EDBDRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000903493375 592185713 /nfs/dbraw/zinc/18/57/13/592185713.db2.gz WJECKNXVFDKIMU-DPYKFYPSSA-N 1 0 333.388 1.868 20 5 EDBDRO [NH3+]C[C@]12CC[C@H]1CCCN2CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000903796699 592326346 /nfs/dbraw/zinc/32/63/46/592326346.db2.gz BNQIAPJMWKRFIA-RDTXWAMCSA-N 1 0 344.415 1.687 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@]34CC[NH2+]C4)n2)cc1 ZINC000903867100 592342333 /nfs/dbraw/zinc/34/23/33/592342333.db2.gz YCGJIDSDNZRTSR-MRXNPFEDSA-N 1 0 329.360 1.973 20 5 EDBDRO Cc1c(C[C@H](C[NH3+])CN2CCc3c(cccc3[N+](=O)[O-])C2)cnn1C ZINC000903895436 592367957 /nfs/dbraw/zinc/36/79/57/592367957.db2.gz NWCQZGLQNIHXBI-CQSZACIVSA-N 1 0 343.431 1.812 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000908595638 592548110 /nfs/dbraw/zinc/54/81/10/592548110.db2.gz RIGXOZAMAJNWBM-UHFFFAOYSA-N 1 0 335.404 1.868 20 5 EDBDRO CN(C)Cc1csc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000905528084 592562529 /nfs/dbraw/zinc/56/25/29/592562529.db2.gz DEMAGMZIXWDRTM-AWEZNQCLSA-N 1 0 336.417 1.936 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000906635243 592863752 /nfs/dbraw/zinc/86/37/52/592863752.db2.gz WJSFJCGFFYSODD-KBPBESRZSA-N 1 0 335.408 1.480 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000911633587 592971029 /nfs/dbraw/zinc/97/10/29/592971029.db2.gz ITFOZTYCBUIUMG-LBPRGKRZSA-N 1 0 349.387 1.828 20 5 EDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000911883003 593030351 /nfs/dbraw/zinc/03/03/51/593030351.db2.gz MEMPNRQGFRXJLK-JOYOIKCWSA-N 1 0 325.390 1.505 20 5 EDBDRO C[N@@H+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC000912033080 593050587 /nfs/dbraw/zinc/05/05/87/593050587.db2.gz NHPNXWJKLJPSSP-HUUCEWRRSA-N 1 0 335.404 1.817 20 5 EDBDRO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000912054660 593057773 /nfs/dbraw/zinc/05/77/73/593057773.db2.gz QHLATEANGRPLEW-VHSXEESVSA-N 1 0 343.742 1.278 20 5 EDBDRO CC(C)Oc1cc(C(=O)N(C)CC[N@H+](C)CCO)ccc1[N+](=O)[O-] ZINC000912599755 593107454 /nfs/dbraw/zinc/10/74/54/593107454.db2.gz SGOCPKLELKCKMB-UHFFFAOYSA-N 1 0 339.392 1.378 20 5 EDBDRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000839486141 593306560 /nfs/dbraw/zinc/30/65/60/593306560.db2.gz SHENWXATGYUPFS-UHFFFAOYSA-N 1 0 342.783 1.643 20 5 EDBDRO Cc1nn(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000840177028 593339573 /nfs/dbraw/zinc/33/95/73/593339573.db2.gz IVDWIOMELRYNAK-KGLIPLIRSA-N 1 0 329.360 1.258 20 5 EDBDRO CON(C)C(=O)C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000812871096 593511737 /nfs/dbraw/zinc/51/17/37/593511737.db2.gz TYPGFEBUULORBH-HNNXBMFYSA-N 1 0 337.376 1.360 20 5 EDBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCCO1 ZINC000817994711 593654708 /nfs/dbraw/zinc/65/47/08/593654708.db2.gz HPBGORWVHZLILP-SNVBAGLBSA-N 1 0 345.758 1.425 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2noc(-c3cn([C@@H]4CCC[NH2+]C4)nn3)n2)c1 ZINC000818378881 593695589 /nfs/dbraw/zinc/69/55/89/593695589.db2.gz YNEYMDCLIMITDW-GFCCVEGCSA-N 1 0 341.331 1.828 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCS(=O)(=O)CC2CC2)c1 ZINC000819173245 593742861 /nfs/dbraw/zinc/74/28/61/593742861.db2.gz LFOOMVJJSTYAIO-CQSZACIVSA-N 1 0 328.390 1.043 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCN(c3ccccn3)C2)c1 ZINC000819189490 593743601 /nfs/dbraw/zinc/74/36/01/593743601.db2.gz HLANXCQRLJVSEH-ZBFHGGJFSA-N 1 0 328.372 1.892 20 5 EDBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000819230388 593745744 /nfs/dbraw/zinc/74/57/44/593745744.db2.gz VCVYHDJLFHMLQP-YYIAUSFCSA-N 1 0 336.388 1.944 20 5 EDBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819245706 593746299 /nfs/dbraw/zinc/74/62/99/593746299.db2.gz YWWLAMQRCWRWIT-HRCADAONSA-N 1 0 340.376 1.038 20 5 EDBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1n1cccn1 ZINC000819332357 593750910 /nfs/dbraw/zinc/75/09/10/593750910.db2.gz BTBHCRJNFABDEU-MWDXBVQZSA-N 1 0 346.387 1.833 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820752426 593881342 /nfs/dbraw/zinc/88/13/42/593881342.db2.gz MXWAEELEROZUFY-PRHODGIISA-N 1 0 330.352 1.065 20 5 EDBDRO Nc1ccc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000823914459 593886748 /nfs/dbraw/zinc/88/67/48/593886748.db2.gz PAMMRGCXYYPHIG-ZDUSSCGKSA-N 1 0 349.391 1.240 20 5 EDBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000824086414 593926160 /nfs/dbraw/zinc/92/61/60/593926160.db2.gz NZTHSBRTFAASBE-LSDHHAIUSA-N 1 0 345.403 1.789 20 5 EDBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821001187 593942293 /nfs/dbraw/zinc/94/22/93/593942293.db2.gz PSIVURWIUZPFCP-AAEUAGOBSA-N 1 0 343.391 1.838 20 5 EDBDRO C[C@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000825368192 594174271 /nfs/dbraw/zinc/17/42/71/594174271.db2.gz PMMORFAVVXKRSE-CZUORRHYSA-N 1 0 335.404 1.866 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000823264709 594177789 /nfs/dbraw/zinc/17/77/89/594177789.db2.gz ZCFVEGMMSIWHJC-AWEZNQCLSA-N 1 0 335.404 1.788 20 5 EDBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825505595 594193982 /nfs/dbraw/zinc/19/39/82/594193982.db2.gz NELXPWFYULVWPP-XJKSGUPXSA-N 1 0 335.404 1.865 20 5 EDBDRO C[NH+](C)CCn1cc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000825560475 594200720 /nfs/dbraw/zinc/20/07/20/594200720.db2.gz MPPDWWGJQHKECG-AWEZNQCLSA-N 1 0 333.348 1.025 20 5 EDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000823619861 594221844 /nfs/dbraw/zinc/22/18/44/594221844.db2.gz CFAFURXOIROSPV-ZJUUUORDSA-N 1 0 330.352 1.209 20 5 EDBDRO C[NH+](C)CC1CCC(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000827546907 594229912 /nfs/dbraw/zinc/22/99/12/594229912.db2.gz BHUVNGFOWXKLLR-PXCJXSSVSA-N 1 0 335.404 1.865 20 5 EDBDRO CC[NH+](CC)CCS(=O)(=O)Oc1cc(OC)ccc1[N+](=O)[O-] ZINC000827953225 594309404 /nfs/dbraw/zinc/30/94/04/594309404.db2.gz IOHSBKPLFCZEND-UHFFFAOYSA-N 1 0 332.378 1.654 20 5 EDBDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000828097521 594340278 /nfs/dbraw/zinc/34/02/78/594340278.db2.gz CYVGFSAOTKXVET-NVXWUHKLSA-N 1 0 335.404 1.791 20 5 EDBDRO CC[NH+]1CCN(CCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000830750701 594470810 /nfs/dbraw/zinc/47/08/10/594470810.db2.gz OMMYPZCRWYXLAW-UHFFFAOYSA-N 1 0 340.811 1.616 20 5 EDBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000826595529 594534963 /nfs/dbraw/zinc/53/49/63/594534963.db2.gz AWPFVGUIRMKUGV-AWEZNQCLSA-N 1 0 329.441 1.781 20 5 EDBDRO CCO[C@H](CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])C[NH+](C)C ZINC000831737681 594697804 /nfs/dbraw/zinc/69/78/04/594697804.db2.gz KKETZMXNLPHFES-GFCCVEGCSA-N 1 0 327.356 1.739 20 5 EDBDRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000841173021 594863081 /nfs/dbraw/zinc/86/30/81/594863081.db2.gz GRURNAWSZAPMCV-QMMMGPOBSA-N 1 0 326.740 1.007 20 5 EDBDRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841187277 594865481 /nfs/dbraw/zinc/86/54/81/594865481.db2.gz RDKDCWANEBTQFT-UHFFFAOYSA-N 1 0 342.783 1.820 20 5 EDBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841230943 594873468 /nfs/dbraw/zinc/87/34/68/594873468.db2.gz XKIFOGKTFRGUHW-MRVPVSSYSA-N 1 0 328.756 1.301 20 5 EDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000841982576 594995152 /nfs/dbraw/zinc/99/51/52/594995152.db2.gz WFVKHCNGYBHDAG-KBPBESRZSA-N 1 0 347.419 1.696 20 5 EDBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000842249624 595054650 /nfs/dbraw/zinc/05/46/50/595054650.db2.gz GXNNWVUDXGCVCK-AWEZNQCLSA-N 1 0 329.784 1.681 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000843303740 595067635 /nfs/dbraw/zinc/06/76/35/595067635.db2.gz ZEPAKCVOXJWZBX-UHFFFAOYSA-N 1 0 329.360 1.482 20 5 EDBDRO O=C(O[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842332595 595078762 /nfs/dbraw/zinc/07/87/62/595078762.db2.gz XYAFIOGRFLPCCS-BRWVUGGUSA-N 1 0 330.384 1.958 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843380564 595094871 /nfs/dbraw/zinc/09/48/71/595094871.db2.gz WOTDMZCIABRMGN-QWRGUYRKSA-N 1 0 344.774 1.819 20 5 EDBDRO O=C(CN1CC[C@H]2[NH2+]CC[C@H]2C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843387116 595096487 /nfs/dbraw/zinc/09/64/87/595096487.db2.gz OUALDWDKUZFAJK-CMPLNLGQSA-N 1 0 338.795 1.871 20 5 EDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)CC2 ZINC000843495378 595130554 /nfs/dbraw/zinc/13/05/54/595130554.db2.gz QOAMJACZSJNLKR-CYBMUJFWSA-N 1 0 346.387 1.051 20 5 EDBDRO O=[N+]([O-])c1ccc2cnn(Cc3nc([C@H]4CCC[NH2+]C4)no3)c2c1 ZINC000842665274 595165288 /nfs/dbraw/zinc/16/52/88/595165288.db2.gz MHPOCPGBOKTQFX-NSHDSACASA-N 1 0 328.332 1.843 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000842720619 595180124 /nfs/dbraw/zinc/18/01/24/595180124.db2.gz YEVFKHPRQSNPQY-KOLCDFICSA-N 1 0 347.824 1.914 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843788286 595186434 /nfs/dbraw/zinc/18/64/34/595186434.db2.gz IARGCFCRDJKHJP-LBPRGKRZSA-N 1 0 339.367 1.883 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC[NH2+]1 ZINC000834677571 595188588 /nfs/dbraw/zinc/18/85/88/595188588.db2.gz LMZLSUYMONNZHZ-QWHCGFSZSA-N 1 0 348.403 1.302 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])c1F ZINC000842791126 595200450 /nfs/dbraw/zinc/20/04/50/595200450.db2.gz RYIAYBWVRFOLTB-UWVGGRQHSA-N 1 0 331.369 1.400 20 5 EDBDRO Cc1cc(S(=O)(=O)NC2CC3(CC([NH3+])C3)C2)cc([N+](=O)[O-])c1F ZINC000842797520 595202822 /nfs/dbraw/zinc/20/28/22/595202822.db2.gz LUGHXKQWLWRKBY-UHFFFAOYSA-N 1 0 343.380 1.591 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)cc([N+](=O)[O-])c1F ZINC000842827825 595210874 /nfs/dbraw/zinc/21/08/74/595210874.db2.gz RCLMBYAINHAUIP-AWEZNQCLSA-N 1 0 345.396 1.710 20 5 EDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000843897861 595211688 /nfs/dbraw/zinc/21/16/88/595211688.db2.gz JQOKNNUOUDOBNY-GFCCVEGCSA-N 1 0 339.367 1.619 20 5 EDBDRO COc1cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000867309510 595227042 /nfs/dbraw/zinc/22/70/42/595227042.db2.gz SIXGRISBMWJTAM-ZYHUDNBSSA-N 1 0 343.405 1.317 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000842897880 595228840 /nfs/dbraw/zinc/22/88/40/595228840.db2.gz KWUGVVIQEMZAHB-HNNXBMFYSA-N 1 0 339.417 1.674 20 5 EDBDRO Cc1cc(C)cc([C@H](O)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000843091427 595285342 /nfs/dbraw/zinc/28/53/42/595285342.db2.gz CTXIPYGUXXBYPQ-HZPDHXFCSA-N 1 0 334.376 1.092 20 5 EDBDRO C[NH+]1CCC(ONC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000846646304 595291564 /nfs/dbraw/zinc/29/15/64/595291564.db2.gz CRMGBWLKZSDCMB-UHFFFAOYSA-N 1 0 337.332 1.122 20 5 EDBDRO O=[N+]([O-])c1ccccc1NCCc1noc(C[C@@H]2C[NH2+]CCO2)n1 ZINC000843184709 595300981 /nfs/dbraw/zinc/30/09/81/595300981.db2.gz IDZJJZWSJSKHCY-LLVKDONJSA-N 1 0 333.348 1.163 20 5 EDBDRO Nc1ccc(C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000846687316 595301886 /nfs/dbraw/zinc/30/18/86/595301886.db2.gz CUCLQBUSVAHTDH-XEZPLFJOSA-N 1 0 348.403 1.536 20 5 EDBDRO [NH3+]CC(F)(F)Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000844910563 595412213 /nfs/dbraw/zinc/41/22/13/595412213.db2.gz VXYSFROYZQCXNE-UHFFFAOYSA-N 1 0 327.291 1.769 20 5 EDBDRO O=C(NCC1CC[NH2+]CC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857762738 595598815 /nfs/dbraw/zinc/59/88/15/595598815.db2.gz AFCIFGPMTYNOOQ-UHFFFAOYSA-N 1 0 329.303 1.682 20 5 EDBDRO [NH3+]CC1(NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000857764973 595599971 /nfs/dbraw/zinc/59/99/71/595599971.db2.gz GVOFYPHUXODBEY-UHFFFAOYSA-N 1 0 329.303 1.954 20 5 EDBDRO CC1([NH3+])CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000857765794 595600848 /nfs/dbraw/zinc/60/08/48/595600848.db2.gz DRBRTFMDQKUEEW-UHFFFAOYSA-N 1 0 329.303 1.906 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765905 595600881 /nfs/dbraw/zinc/60/08/81/595600881.db2.gz LSBAOJOFYGCZMT-JOYOIKCWSA-N 1 0 329.303 1.681 20 5 EDBDRO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000858581420 595834005 /nfs/dbraw/zinc/83/40/05/595834005.db2.gz DUUFTZKELRWMJD-MNOVXSKESA-N 1 0 338.364 1.310 20 5 EDBDRO COc1cc(S(=O)(=O)N2CC[NH2+][C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000851897251 595966925 /nfs/dbraw/zinc/96/69/25/595966925.db2.gz NJMQLGYRSLLNPQ-LBPRGKRZSA-N 1 0 343.405 1.222 20 5 EDBDRO O=[N+]([O-])c1ccc(Cc2noc(-c3c[nH]nc3[C@@H]3CC[NH2+]C3)n2)nc1 ZINC000854142387 595988104 /nfs/dbraw/zinc/98/81/04/595988104.db2.gz LZZHJSHWXZDXFC-SECBINFHSA-N 1 0 341.331 1.431 20 5 EDBDRO C/C(=C/C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000854353480 596048502 /nfs/dbraw/zinc/04/85/02/596048502.db2.gz ZVVCHOHAPLJDNS-IFCKCIONSA-N 1 0 344.415 1.504 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c1F ZINC000854600234 596132439 /nfs/dbraw/zinc/13/24/39/596132439.db2.gz PLJSCPFNTMBFCB-MWLCHTKSSA-N 1 0 325.315 1.958 20 5 EDBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc([N+](=O)[O-])ccc1F ZINC000854743750 596184581 /nfs/dbraw/zinc/18/45/81/596184581.db2.gz OWSQIOVPVUMHQX-GFCCVEGCSA-N 1 0 325.340 1.311 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](CCN2CCOCC2)CC2CC2)cc1 ZINC000852636430 596214832 /nfs/dbraw/zinc/21/48/32/596214832.db2.gz UNFFONYEILIPCY-GOSISDBHSA-N 1 0 349.431 1.672 20 5 EDBDRO CCC1([NH+](C)C)CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000870573024 596284547 /nfs/dbraw/zinc/28/45/47/596284547.db2.gz CNGXJIKFNCZYTC-HNNXBMFYSA-N 1 0 335.404 1.961 20 5 EDBDRO CS(=O)(=O)N[C@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000122321530 596336591 /nfs/dbraw/zinc/33/65/91/596336591.db2.gz RKXASAYVLJPQNE-NSHDSACASA-N 1 0 347.824 1.762 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000866831351 596370442 /nfs/dbraw/zinc/37/04/42/596370442.db2.gz JRTOOBOXJNAPAQ-CHWSQXEVSA-N 1 0 325.390 1.418 20 5 EDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000865061330 596459614 /nfs/dbraw/zinc/45/96/14/596459614.db2.gz XVKNRKHYYZWAQO-CHWSQXEVSA-N 1 0 337.351 1.256 20 5 EDBDRO COC(=O)C1=CC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000863571881 596621894 /nfs/dbraw/zinc/62/18/94/596621894.db2.gz GHWWUDMHWOTOSD-JSGCOSHPSA-N 1 0 336.344 1.186 20 5 EDBDRO C[NH2+]C1(CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC1 ZINC000863921897 596717052 /nfs/dbraw/zinc/71/70/52/596717052.db2.gz IEOPNYIQDMQPHF-UHFFFAOYSA-N 1 0 336.348 1.694 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000866036909 596768052 /nfs/dbraw/zinc/76/80/52/596768052.db2.gz MQPSTLZPNKRPTP-UHFFFAOYSA-N 1 0 340.383 1.891 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000872151288 596813448 /nfs/dbraw/zinc/81/34/48/596813448.db2.gz CYDCHVHBCPLNMJ-GDZNZVCISA-N 1 0 332.404 1.772 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000872218922 596840662 /nfs/dbraw/zinc/84/06/62/596840662.db2.gz BZHFOEYPCVSMQF-CAVHWINASA-N 1 0 334.372 1.348 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)c1 ZINC000872248600 596853628 /nfs/dbraw/zinc/85/36/28/596853628.db2.gz UXOCVTSBYSBFEL-IRWJRLHMSA-N 1 0 336.388 1.882 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)CC[C@@H]21 ZINC000872724110 597046010 /nfs/dbraw/zinc/04/60/10/597046010.db2.gz DRCWAPVDSVYQHF-NHYWBVRUSA-N 1 0 344.371 1.174 20 5 EDBDRO Cc1c(C[NH2+]CC2CCN(S(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000873030442 597165281 /nfs/dbraw/zinc/16/52/81/597165281.db2.gz GNTLEQRWTSKQCX-UHFFFAOYSA-N 1 0 341.433 1.664 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc([N+](=O)[O-])c1 ZINC000874849285 597200347 /nfs/dbraw/zinc/20/03/47/597200347.db2.gz IVZWTAASMHJWGN-LSDHHAIUSA-N 1 0 347.371 1.690 20 5 EDBDRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000876473822 597215544 /nfs/dbraw/zinc/21/55/44/597215544.db2.gz ZRAXGIUZHCKRCM-CQSZACIVSA-N 1 0 343.405 1.076 20 5 EDBDRO O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000876732206 597311667 /nfs/dbraw/zinc/31/16/67/597311667.db2.gz ZHLUJJJXTPRGIX-IUODEOHRSA-N 1 0 336.367 1.191 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000876757323 597325419 /nfs/dbraw/zinc/32/54/19/597325419.db2.gz BWRSLBPXMSSMCL-HNNXBMFYSA-N 1 0 337.420 1.337 20 5 EDBDRO O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000876895434 597374997 /nfs/dbraw/zinc/37/49/97/597374997.db2.gz BGABPIZCFHJTSI-ITDFMYJTSA-N 1 0 333.392 1.511 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCN(CC(F)(F)F)C3)C2)c1 ZINC000876991703 597406599 /nfs/dbraw/zinc/40/65/99/597406599.db2.gz SRPAAUDGPBBBBR-WHXUTIOJSA-N 1 0 333.314 1.721 20 5 EDBDRO CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877045476 597420879 /nfs/dbraw/zinc/42/08/79/597420879.db2.gz WUDHRPSTCDWYMX-FEPKRQSRSA-N 1 0 335.408 1.731 20 5 EDBDRO C[C@@H]([NH3+])CN(C)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000877099475 597432834 /nfs/dbraw/zinc/43/28/34/597432834.db2.gz HGWLYFAVPZDJML-MRVPVSSYSA-N 1 0 335.282 1.955 20 5 EDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1ccn(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000877377748 597505051 /nfs/dbraw/zinc/50/50/51/597505051.db2.gz WXXCPZCTQRGMHM-YVEFUNNKSA-N 1 0 341.371 1.462 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3[C@@H]4OC[C@H]5C[C@H]3C[C@H]45)CC2)cn1 ZINC000877681042 597547109 /nfs/dbraw/zinc/54/71/09/597547109.db2.gz CRXJENOBFYHMQX-RHGTVDNUSA-N 1 0 344.415 1.972 20 5 EDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000878359625 597597720 /nfs/dbraw/zinc/59/77/20/597597720.db2.gz RDYRHHZQXODMQH-LLVKDONJSA-N 1 0 335.360 1.438 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)n1 ZINC000879690349 597687388 /nfs/dbraw/zinc/68/73/88/597687388.db2.gz PVIXTVGHXIHSNE-AWEZNQCLSA-N 1 0 328.376 1.671 20 5 EDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000129287559 597767422 /nfs/dbraw/zinc/76/74/22/597767422.db2.gz KYLPZRICRULPGL-TZMCWYRMSA-N 1 0 346.387 1.876 20 5 EDBDRO NC(=O)[C@@H](F)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000879048497 597801128 /nfs/dbraw/zinc/80/11/28/597801128.db2.gz VKHRKPOESJDEQO-AWEZNQCLSA-N 1 0 325.340 1.509 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@]3(CCc4ccccc43)C2)c1 ZINC000879996330 597802863 /nfs/dbraw/zinc/80/28/63/597802863.db2.gz ANWFCRCZJHAYHB-WMZOPIPTSA-N 1 0 342.399 1.742 20 5 EDBDRO CC1CC[NH+](CC(=O)NC2CN(Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001031136816 695575059 /nfs/dbraw/zinc/57/50/59/695575059.db2.gz LPDWXOALYGTHDR-UHFFFAOYSA-N 1 0 346.431 1.627 20 5 EDBDRO COc1ccc(CN(C)CC(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000071950892 703062582 /nfs/dbraw/zinc/06/25/82/703062582.db2.gz QWXOOVQZTXYGDN-UHFFFAOYSA-N 1 0 333.344 1.945 20 5 EDBDRO O=C(c1n[nH]cc1F)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000996984072 703242493 /nfs/dbraw/zinc/24/24/93/703242493.db2.gz KEKLKRUBKIIRDL-UHFFFAOYSA-N 1 0 347.350 1.851 20 5 EDBDRO O=C(c1ccnnc1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997044704 703293759 /nfs/dbraw/zinc/29/37/59/703293759.db2.gz XBSVDFRRSTUFFO-UHFFFAOYSA-N 1 0 341.371 1.779 20 5 EDBDRO O=C(Cc1ncc[nH]1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997126179 703385157 /nfs/dbraw/zinc/38/51/57/703385157.db2.gz NYUVVPLKGPETFZ-UHFFFAOYSA-N 1 0 343.387 1.641 20 5 EDBDRO O=C(Cc1ncc[nH]1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997126968 703386019 /nfs/dbraw/zinc/38/60/19/703386019.db2.gz PQMXNTIFTOKQOO-UHFFFAOYSA-N 1 0 343.387 1.641 20 5 EDBDRO COc1cc(C[NH2+][C@@H](C)CN2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000921531440 703391678 /nfs/dbraw/zinc/39/16/78/703391678.db2.gz FSEXQGDWKIGKIP-LBPRGKRZSA-N 1 0 339.392 1.422 20 5 EDBDRO Cc1cc(C)n(CC[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001005383804 708821248 /nfs/dbraw/zinc/82/12/48/708821248.db2.gz WEOKUFVBYOHPAC-HZPDHXFCSA-N 1 0 349.435 1.088 20 5 EDBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1cn[nH]n1 ZINC001003231879 710153582 /nfs/dbraw/zinc/15/35/82/710153582.db2.gz STEPRPDWAUMYOD-UHFFFAOYSA-N 1 0 330.348 1.107 20 5 EDBDRO Cc1ncsc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001034643569 710319834 /nfs/dbraw/zinc/31/98/34/710319834.db2.gz PIAAZTUBOHTTAI-FDYHWXHSSA-N 1 0 338.433 1.634 20 5 EDBDRO O=C(NC1CCN(Cc2ccccc2[N+](=O)[O-])CC1)c1n[nH]cc1F ZINC001003575615 710426588 /nfs/dbraw/zinc/42/65/88/710426588.db2.gz HXLYSOIFWJBELF-UHFFFAOYSA-N 1 0 347.350 1.851 20 5 EDBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181900248 529712239 /nfs/dbraw/zinc/71/22/39/529712239.db2.gz HHAGNPLTBNRXLX-LZWOXQAQSA-N 1 0 338.404 1.960 20 5 EDBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC1(CO)CC1 ZINC000186795624 529871467 /nfs/dbraw/zinc/87/14/67/529871467.db2.gz FIYLUCSWHCOWGJ-UHFFFAOYSA-N 1 0 325.340 1.767 20 5 EDBDRO Cc1cc(C)n(CCC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000560279851 306263381 /nfs/dbraw/zinc/26/33/81/306263381.db2.gz MLMZLNOTTXGCHR-INIZCTEOSA-N 1 0 348.403 1.828 20 5 EDBDRO COCC[N@H+](C)C[C@@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000562478460 306299842 /nfs/dbraw/zinc/29/98/42/306299842.db2.gz HNJWCJDCYWGNJZ-ZFWWWQNUSA-N 1 0 325.409 1.493 20 5 EDBDRO CC[NH+](CC)[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccco1 ZINC000067274552 138185324 /nfs/dbraw/zinc/18/53/24/138185324.db2.gz KLKBNZPNXLJSRX-GFCCVEGCSA-N 1 0 335.364 1.584 20 5 EDBDRO COc1ccc(CSCC(=O)NCC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000178617051 138743318 /nfs/dbraw/zinc/74/33/18/138743318.db2.gz XLONXFGIVMZERT-JTQLQIEISA-N 1 0 327.406 1.690 20 5 EDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000107886838 219815360 /nfs/dbraw/zinc/81/53/60/219815360.db2.gz JXLJUWHFWJSJIE-CYBMUJFWSA-N 1 0 343.387 1.852 20 5 EDBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000187139211 138823467 /nfs/dbraw/zinc/82/34/67/138823467.db2.gz QYMNEDDFTITTOX-LBPRGKRZSA-N 1 0 334.376 1.643 20 5 EDBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cn2ccnn2)cc1[N+](=O)[O-] ZINC000414201247 304105736 /nfs/dbraw/zinc/10/57/36/304105736.db2.gz XWMLGHIAFFKXDZ-DGCLKSJQSA-N 1 0 335.364 1.297 20 5 EDBDRO O=C(CC[NH2+]C[C@H]1CC(=O)N(C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000565888286 306393834 /nfs/dbraw/zinc/39/38/34/306393834.db2.gz LMBIMFDKWBCTMT-GFCCVEGCSA-N 1 0 346.387 1.524 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000077389429 203384681 /nfs/dbraw/zinc/38/46/81/203384681.db2.gz XMNQHXFQVOXIMM-UHFFFAOYSA-N 1 0 331.369 1.497 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111547724 204362565 /nfs/dbraw/zinc/36/25/65/204362565.db2.gz JMNXLYWVKBZAES-GFCCVEGCSA-N 1 0 344.371 1.650 20 5 EDBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195258723 139011571 /nfs/dbraw/zinc/01/15/71/139011571.db2.gz CIVVFGQTHPPXQG-TXEJJXNPSA-N 1 0 327.344 1.072 20 5 EDBDRO Cc1nn(CCC(=O)N[C@@](C)(C[NH3+])CC(C)C)c(C)c1[N+](=O)[O-] ZINC000236680495 139028521 /nfs/dbraw/zinc/02/85/21/139028521.db2.gz ISJIOTNZNWCMKQ-OAHLLOKOSA-N 1 0 325.413 1.678 20 5 EDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000236686651 139028720 /nfs/dbraw/zinc/02/87/20/139028720.db2.gz DJACKFXKUQPYPI-HNNXBMFYSA-N 1 0 332.364 1.279 20 5 EDBDRO COc1cc(C(=O)N2CCC([NH3+])CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000237228599 139045050 /nfs/dbraw/zinc/04/50/50/139045050.db2.gz GIZBPKWKQNQFCU-UHFFFAOYSA-N 1 0 345.302 1.768 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000237303077 139047127 /nfs/dbraw/zinc/04/71/27/139047127.db2.gz WCHNRLXLGHRDRN-QWHCGFSZSA-N 1 0 348.403 1.171 20 5 EDBDRO C[NH2+]CC1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000237355927 139049004 /nfs/dbraw/zinc/04/90/04/139049004.db2.gz SQMSDKLUKFQPKW-UHFFFAOYSA-N 1 0 347.824 1.868 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126672763 205066412 /nfs/dbraw/zinc/06/64/12/205066412.db2.gz KGXUXNLVIFSFHY-GXTWGEPZSA-N 1 0 333.392 1.267 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000156387584 205080865 /nfs/dbraw/zinc/08/08/65/205080865.db2.gz LKYLBPRIBSZMDM-QWHCGFSZSA-N 1 0 343.387 1.980 20 5 EDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@H](O)C[NH+]1CCCCC1 ZINC000159938101 206271599 /nfs/dbraw/zinc/27/15/99/206271599.db2.gz MBTAUNAOEFEMGM-HVHJFMEUSA-N 1 0 333.388 1.571 20 5 EDBDRO Cc1c(CC(=O)NCCCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000161781501 206370662 /nfs/dbraw/zinc/37/06/62/206370662.db2.gz VBLXXVAWMFJIFY-UHFFFAOYSA-N 1 0 335.404 1.674 20 5 EDBDRO Cc1c(CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000162401203 206398986 /nfs/dbraw/zinc/39/89/86/206398986.db2.gz ZXUIPCLXGFMDSU-KRWDZBQOSA-N 1 0 346.431 1.642 20 5 EDBDRO Cc1c(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000249199648 139189087 /nfs/dbraw/zinc/18/90/87/139189087.db2.gz QRPFDAJFKRXXBK-WCQYABFASA-N 1 0 348.403 1.783 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415418624 304219054 /nfs/dbraw/zinc/21/90/54/304219054.db2.gz YKPDSWAWGLPUAI-LBPRGKRZSA-N 1 0 334.376 1.348 20 5 EDBDRO NC(=O)c1ccc(SCc2nc(C3([NH3+])CCC3)no2)c([N+](=O)[O-])c1 ZINC000261629172 139212632 /nfs/dbraw/zinc/21/26/32/139212632.db2.gz CKGJQFTXILYCFJ-UHFFFAOYSA-N 1 0 349.372 1.707 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261671953 139216177 /nfs/dbraw/zinc/21/61/77/139216177.db2.gz GNJHDXPKKWPAFJ-UHFFFAOYSA-N 1 0 328.372 1.942 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000261845830 139231029 /nfs/dbraw/zinc/23/10/29/139231029.db2.gz JAQBILDGZXYBTK-AWEZNQCLSA-N 1 0 343.405 1.271 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000261878112 139233387 /nfs/dbraw/zinc/23/33/87/139233387.db2.gz MFFRMRXIYOFSBQ-MNOVXSKESA-N 1 0 343.405 1.209 20 5 EDBDRO C[C@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000261938638 139238678 /nfs/dbraw/zinc/23/86/78/139238678.db2.gz KUUTTYXKGIBBCN-FZMZJTMJSA-N 1 0 327.406 1.484 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000262005552 139243321 /nfs/dbraw/zinc/24/33/21/139243321.db2.gz VSNAYOVVFMEZGB-RYUDHWBXSA-N 1 0 327.406 1.651 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000415503411 304225016 /nfs/dbraw/zinc/22/50/16/304225016.db2.gz OGXBAZDFIPGKDM-AWEZNQCLSA-N 1 0 333.392 1.415 20 5 EDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262054885 139246985 /nfs/dbraw/zinc/24/69/85/139246985.db2.gz NBSVBMHVBNYHSH-MRXNPFEDSA-N 1 0 332.404 1.034 20 5 EDBDRO COc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000174711385 207049657 /nfs/dbraw/zinc/04/96/57/207049657.db2.gz NNJLGDKIPJMWAA-RDJZCZTQSA-N 1 0 346.387 1.998 20 5 EDBDRO CCC[C@@](C)([NH3+])C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000262302426 139268123 /nfs/dbraw/zinc/26/81/23/139268123.db2.gz KXNPMKVCDPVUBX-MRXNPFEDSA-N 1 0 339.392 1.788 20 5 EDBDRO COc1ccc(CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000417204222 251146711 /nfs/dbraw/zinc/14/67/11/251146711.db2.gz ZVGOKZQXEVIMHN-KRWDZBQOSA-N 1 0 348.403 1.889 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000262351928 139272513 /nfs/dbraw/zinc/27/25/13/139272513.db2.gz VJFRDHOEAGRBOI-ZJUUUORDSA-N 1 0 345.808 1.763 20 5 EDBDRO CS(=O)(=O)NCCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417324167 251159934 /nfs/dbraw/zinc/15/99/34/251159934.db2.gz PVAWIHZIUYMRKH-OAHLLOKOSA-N 1 0 341.433 1.891 20 5 EDBDRO Cc1ccc(NCCCNC(=O)N2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000417716742 251239127 /nfs/dbraw/zinc/23/91/27/251239127.db2.gz MAVSVKNPBJIZTB-CYBMUJFWSA-N 1 0 335.408 1.709 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1C ZINC000262486898 139281827 /nfs/dbraw/zinc/28/18/27/139281827.db2.gz KMFAKBSUGJJQTC-VXGBXAGGSA-N 1 0 327.406 1.630 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC[C@H]1CCC[NH2+]C1 ZINC000418079524 251321422 /nfs/dbraw/zinc/32/14/22/251321422.db2.gz AIBKDMKUPJCJDI-JTQLQIEISA-N 1 0 332.364 1.270 20 5 EDBDRO COc1cc(OCC(=O)N(C)CC(C)(C)C[NH3+])ccc1[N+](=O)[O-] ZINC000262587265 139288648 /nfs/dbraw/zinc/28/86/48/139288648.db2.gz PPDWMYBVJLDFTP-UHFFFAOYSA-N 1 0 325.365 1.426 20 5 EDBDRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418778371 251432279 /nfs/dbraw/zinc/43/22/79/251432279.db2.gz IQMTWAZAKMGQKX-RYUDHWBXSA-N 1 0 348.403 1.358 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000262750128 139300978 /nfs/dbraw/zinc/30/09/78/139300978.db2.gz NBGJSQWYQRAXRY-NSHDSACASA-N 1 0 327.406 1.435 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC12CCOCC2 ZINC000569604237 306513015 /nfs/dbraw/zinc/51/30/15/306513015.db2.gz NAIVVYSRLARVPT-SNVBAGLBSA-N 1 0 325.390 1.484 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000415610509 304238336 /nfs/dbraw/zinc/23/83/36/304238336.db2.gz XFZKITLFFLYUAU-CYZMBNFOSA-N 1 0 332.360 1.037 20 5 EDBDRO C[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000443451356 254580803 /nfs/dbraw/zinc/58/08/03/254580803.db2.gz FYJMLANGMNRQJK-WCQYABFASA-N 1 0 327.406 1.402 20 5 EDBDRO CN(CC[NH+](C)C)C(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000459968241 255013230 /nfs/dbraw/zinc/01/32/30/255013230.db2.gz DPSPRWURQNVYNX-UHFFFAOYSA-N 1 0 348.403 1.106 20 5 EDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1CCO ZINC000492954041 255188439 /nfs/dbraw/zinc/18/84/39/255188439.db2.gz IASCHDDTDOWPBY-GMOCCLDISA-N 1 0 333.388 1.522 20 5 EDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N[C@H]1C[NH2+]CCC1(F)F ZINC000493042409 255189515 /nfs/dbraw/zinc/18/95/15/255189515.db2.gz BXJKKJPUYQNYSM-KMOQFTEPSA-N 1 0 329.278 1.861 20 5 EDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415805611 304275985 /nfs/dbraw/zinc/27/59/85/304275985.db2.gz KQBFBVXLUNKUBE-UWVGGRQHSA-N 1 0 336.392 1.683 20 5 EDBDRO CC(C)[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[NH+](C)C ZINC000118690723 221171321 /nfs/dbraw/zinc/17/13/21/221171321.db2.gz UKPKSXUNJASZAY-IUODEOHRSA-N 1 0 335.408 1.589 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415852242 304281997 /nfs/dbraw/zinc/28/19/97/304281997.db2.gz JHDNLPJYSFMWHG-OLZOCXBDSA-N 1 0 346.387 1.381 20 5 EDBDRO C[N@H+](CCO)C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000270482407 140108662 /nfs/dbraw/zinc/10/86/62/140108662.db2.gz NIZKAQSXUZGLMN-VOTSOKGWSA-N 1 0 333.388 1.523 20 5 EDBDRO CN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000270909173 140196261 /nfs/dbraw/zinc/19/62/61/140196261.db2.gz UNDXTMKITONGPM-ZDUSSCGKSA-N 1 0 329.360 1.664 20 5 EDBDRO C[NH2+]CCC1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000271306815 140274815 /nfs/dbraw/zinc/27/48/15/140274815.db2.gz VUQMEGCCLRZYAD-UHFFFAOYSA-N 1 0 336.348 1.965 20 5 EDBDRO CC[N@H+](CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C1CC1 ZINC000271312579 140276538 /nfs/dbraw/zinc/27/65/38/140276538.db2.gz MKBGPPPRDFSXBC-UHFFFAOYSA-N 1 0 335.389 1.814 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)n1 ZINC000271351249 140283364 /nfs/dbraw/zinc/28/33/64/140283364.db2.gz FANMXGMGFCWZJO-ZDUSSCGKSA-N 1 0 331.376 1.231 20 5 EDBDRO C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000271896174 140368922 /nfs/dbraw/zinc/36/89/22/140368922.db2.gz XCBRGKTVZLTHIO-VXGBXAGGSA-N 1 0 343.405 1.030 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000332447637 141183436 /nfs/dbraw/zinc/18/34/36/141183436.db2.gz DPGMAPZYHZKJSQ-CYBMUJFWSA-N 1 0 349.387 1.509 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000332470488 141187274 /nfs/dbraw/zinc/18/72/74/141187274.db2.gz JWWNZKGFHVFKJC-AAEUAGOBSA-N 1 0 349.387 1.507 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC[C@@H](CO)O1 ZINC000340415060 142383810 /nfs/dbraw/zinc/38/38/10/142383810.db2.gz JZYNUJNSNDCMMG-UGFHNGPFSA-N 1 0 337.376 1.441 20 5 EDBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000345339908 143080113 /nfs/dbraw/zinc/08/01/13/143080113.db2.gz STNYXBIYGBXGBW-UHFFFAOYSA-N 1 0 337.424 1.816 20 5 EDBDRO C[NH+](C)CCc1ccc(CNC(=O)c2cc([N+](=O)[O-])cnc2N)cc1 ZINC000346114583 143169254 /nfs/dbraw/zinc/16/92/54/143169254.db2.gz OZMZETAIEJSQNV-UHFFFAOYSA-N 1 0 343.387 1.606 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347280197 143303378 /nfs/dbraw/zinc/30/33/78/143303378.db2.gz XXECJHWIPOFQDS-NSHDSACASA-N 1 0 326.328 1.576 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCSC[C@@H]2CCO)c1 ZINC000347502762 143329560 /nfs/dbraw/zinc/32/95/60/143329560.db2.gz NXHZDMORPBIRRG-KBPBESRZSA-N 1 0 342.417 1.134 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000115586102 292172090 /nfs/dbraw/zinc/17/20/90/292172090.db2.gz FNRXHMGCGSRHFF-ZDUSSCGKSA-N 1 0 341.433 1.866 20 5 EDBDRO COc1cc(CCNC(=O)N[C@@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000416891955 304353481 /nfs/dbraw/zinc/35/34/81/304353481.db2.gz ACYSBMRWSHXUTE-ZJUUUORDSA-N 1 0 340.380 1.189 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000248621367 148979332 /nfs/dbraw/zinc/97/93/32/148979332.db2.gz NADXHIMAQXUXJI-DRZSPHRISA-N 1 0 349.387 1.811 20 5 EDBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000352585222 149074598 /nfs/dbraw/zinc/07/45/98/149074598.db2.gz BMEYYYCYDLNZKB-NSHDSACASA-N 1 0 347.441 1.210 20 5 EDBDRO CCOc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000353380267 149386282 /nfs/dbraw/zinc/38/62/82/149386282.db2.gz YNUHJJHFZKJHDU-RYUDHWBXSA-N 1 0 349.387 1.684 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])[C@H]2C1 ZINC000355328885 150219880 /nfs/dbraw/zinc/21/98/80/150219880.db2.gz YUNBBVJJVPSVGD-JSGCOSHPSA-N 1 0 335.360 1.236 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](CCO)C1 ZINC000357839967 151169067 /nfs/dbraw/zinc/16/90/67/151169067.db2.gz NYWOOTZYILUXKO-GFCCVEGCSA-N 1 0 337.376 1.636 20 5 EDBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357924486 151197735 /nfs/dbraw/zinc/19/77/35/151197735.db2.gz BENMHENHSZEFTF-OLZOCXBDSA-N 1 0 337.424 1.959 20 5 EDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000358307426 151332697 /nfs/dbraw/zinc/33/26/97/151332697.db2.gz QKCVQQPEBMBASF-OCCSQVGLSA-N 1 0 342.417 1.319 20 5 EDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000361004819 152276633 /nfs/dbraw/zinc/27/66/33/152276633.db2.gz OOSYOZUIGMKTFP-JSGCOSHPSA-N 1 0 339.779 1.841 20 5 EDBDRO CC[N@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000361254093 152346883 /nfs/dbraw/zinc/34/68/83/152346883.db2.gz YWSMIOJDERQPLM-ZDUSSCGKSA-N 1 0 338.360 1.757 20 5 EDBDRO COc1ccc(S(=O)(=O)N(C)C[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000104748313 286347614 /nfs/dbraw/zinc/34/76/14/286347614.db2.gz IBRZTMNVGHTTIF-NSHDSACASA-N 1 0 343.405 1.176 20 5 EDBDRO COC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000363699462 153033328 /nfs/dbraw/zinc/03/33/28/153033328.db2.gz LCKRJQKFCAWSBK-DYVFJYSZSA-N 1 0 347.371 1.469 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000364264562 153191470 /nfs/dbraw/zinc/19/14/70/153191470.db2.gz NUFOFBUJESRVBB-OAHLLOKOSA-N 1 0 348.403 1.983 20 5 EDBDRO CNC(=O)CN1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000365007419 153397028 /nfs/dbraw/zinc/39/70/28/153397028.db2.gz IXJAGSOJGWEONY-CQSZACIVSA-N 1 0 334.420 1.718 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000417202390 304384396 /nfs/dbraw/zinc/38/43/96/304384396.db2.gz XNZLPDNLUAJXGB-CHWSQXEVSA-N 1 0 334.376 1.354 20 5 EDBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000368010986 154366708 /nfs/dbraw/zinc/36/67/08/154366708.db2.gz DVEXKPFACNBTGE-STQMWFEESA-N 1 0 341.371 1.462 20 5 EDBDRO C[N@@H+]1CC[C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H]1c1cccs1 ZINC000369572696 155093378 /nfs/dbraw/zinc/09/33/78/155093378.db2.gz BFUPYGFIMDZPPN-IAQYHMDHSA-N 1 0 349.416 1.662 20 5 EDBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000372327308 156334948 /nfs/dbraw/zinc/33/49/48/156334948.db2.gz VTCPHIGCRPFTCG-UONOGXRCSA-N 1 0 329.360 1.005 20 5 EDBDRO Cc1nn(CCC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000373982724 157093759 /nfs/dbraw/zinc/09/37/59/157093759.db2.gz KTDPDJDXOYDUPC-UONOGXRCSA-N 1 0 335.408 1.541 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000374178422 157182270 /nfs/dbraw/zinc/18/22/70/157182270.db2.gz PFSSLJVHWODSJL-JTQLQIEISA-N 1 0 347.824 1.977 20 5 EDBDRO Cc1ccc(N2CCC[C@H]([N@H+](C)CCn3cc([N+](=O)[O-])cn3)C2)nn1 ZINC000377932639 158032215 /nfs/dbraw/zinc/03/22/15/158032215.db2.gz QHOUBKRSDMTZCJ-AWEZNQCLSA-N 1 0 345.407 1.491 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc([N+](=O)[O-])c1F ZINC000378016082 158056937 /nfs/dbraw/zinc/05/69/37/158056937.db2.gz PNYKHPDTHPESFU-WDEREUQCSA-N 1 0 343.380 1.272 20 5 EDBDRO Cc1nn(CCC(=O)N2CCC3(CCC[N@H+]3C)CC2)c(C)c1[N+](=O)[O-] ZINC000378517002 158197918 /nfs/dbraw/zinc/19/79/18/158197918.db2.gz ZEDLJBHGFRXCOK-UHFFFAOYSA-N 1 0 349.435 1.885 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 ZINC000378538054 158204130 /nfs/dbraw/zinc/20/41/30/158204130.db2.gz FYYGCKWWVRHNEE-NEPJUHHUSA-N 1 0 334.376 1.160 20 5 EDBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000408012333 158241578 /nfs/dbraw/zinc/24/15/78/158241578.db2.gz GVCRIPYOXMYDFC-JHJVBQTASA-N 1 0 336.396 1.050 20 5 EDBDRO O=C1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@@H]([C@H]2CCCO2)N1 ZINC000352447564 162186142 /nfs/dbraw/zinc/18/61/42/162186142.db2.gz MWPJPIRMZLAETO-LZWOXQAQSA-N 1 0 337.351 1.650 20 5 EDBDRO O=C1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@@H]([C@@H]2CCCO2)N1 ZINC000352447563 162186277 /nfs/dbraw/zinc/18/62/77/162186277.db2.gz MWPJPIRMZLAETO-DZKIICNBSA-N 1 0 337.351 1.650 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](CCO)CC1CC1 ZINC000352469805 162198671 /nfs/dbraw/zinc/19/86/71/162198671.db2.gz ZHTLDNBLZWMDOF-NSHDSACASA-N 1 0 337.376 1.635 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000360667716 162296793 /nfs/dbraw/zinc/29/67/93/162296793.db2.gz ZLTLXBWMWGAEHM-QWRGUYRKSA-N 1 0 343.405 1.364 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000364584804 162336322 /nfs/dbraw/zinc/33/63/22/162336322.db2.gz YKNOUULWJIEBFU-OAHLLOKOSA-N 1 0 349.435 1.967 20 5 EDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418082595 304455856 /nfs/dbraw/zinc/45/58/56/304455856.db2.gz JPQJNUXPGAUMPN-CMPLNLGQSA-N 1 0 346.391 1.788 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418085293 304456242 /nfs/dbraw/zinc/45/62/42/304456242.db2.gz VBMTTZOOOCNTQW-RNCFNFMXSA-N 1 0 332.364 1.268 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)C(=O)N(C)C ZINC000074286471 287269460 /nfs/dbraw/zinc/26/94/60/287269460.db2.gz IKELNNNZCOEARG-UHFFFAOYSA-N 1 0 336.392 1.688 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000114210875 292587816 /nfs/dbraw/zinc/58/78/16/292587816.db2.gz NYQUOUZGYUWZID-LBPRGKRZSA-N 1 0 327.406 1.475 20 5 EDBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000126020077 287414519 /nfs/dbraw/zinc/41/45/19/287414519.db2.gz IQMJKXPFECVSCV-UHFFFAOYSA-N 1 0 337.424 1.816 20 5 EDBDRO COCCC[N@H+](C)CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000122767688 222153185 /nfs/dbraw/zinc/15/31/85/222153185.db2.gz QUMWRBBZJWEYRU-UHFFFAOYSA-N 1 0 345.421 1.379 20 5 EDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418450691 304496527 /nfs/dbraw/zinc/49/65/27/304496527.db2.gz DYKRBGRNRMTTML-NHYWBVRUSA-N 1 0 334.376 1.495 20 5 EDBDRO [NH3+]C[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000194776552 273006169 /nfs/dbraw/zinc/00/61/69/273006169.db2.gz OSGNONSGKYQWRK-AWEZNQCLSA-N 1 0 327.406 1.532 20 5 EDBDRO C[NH2+]C[C@@H](C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000237295844 273008915 /nfs/dbraw/zinc/00/89/15/273008915.db2.gz JPXUMFBTEXPUID-SECBINFHSA-N 1 0 344.209 1.872 20 5 EDBDRO COC(=O)[C@]1(C)CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273399175 268043119 /nfs/dbraw/zinc/04/31/19/268043119.db2.gz WBBOWRFZYZWGBW-MLGOLLRUSA-N 1 0 338.360 1.220 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000273487067 268050397 /nfs/dbraw/zinc/05/03/97/268050397.db2.gz OAWHANIPGWXFPZ-NSHDSACASA-N 1 0 342.421 1.163 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000275191725 268294652 /nfs/dbraw/zinc/29/46/52/268294652.db2.gz FSPWIKREJDGNII-ZDUSSCGKSA-N 1 0 336.392 1.697 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000275413699 268339386 /nfs/dbraw/zinc/33/93/86/268339386.db2.gz BOSLDJRECVJMTC-UHFFFAOYSA-N 1 0 327.406 1.666 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1([NH+](C)C)CCC1 ZINC000275437304 268342394 /nfs/dbraw/zinc/34/23/94/268342394.db2.gz GLSNGVXYKANOSN-UHFFFAOYSA-N 1 0 343.405 1.366 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](CCO)C3CCOCC3)n2)cc1 ZINC000275512756 268353526 /nfs/dbraw/zinc/35/35/26/268353526.db2.gz IEZPUILCNMVNFA-UHFFFAOYSA-N 1 0 348.359 1.618 20 5 EDBDRO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1NC(=O)OC(C)(C)C ZINC000277727264 268577870 /nfs/dbraw/zinc/57/78/70/268577870.db2.gz JQHHENOSYWOGDZ-NEPJUHHUSA-N 1 0 339.396 1.636 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000274169531 273073950 /nfs/dbraw/zinc/07/39/50/273073950.db2.gz HZLMQAMZCCNWIQ-TZMCWYRMSA-N 1 0 343.387 1.579 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000276059909 273145240 /nfs/dbraw/zinc/14/52/40/273145240.db2.gz KOQSNVCCEJOIGV-CYBMUJFWSA-N 1 0 334.376 1.462 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000277270496 273185526 /nfs/dbraw/zinc/18/55/26/273185526.db2.gz RQEUVEUDQJWODC-HUUCEWRRSA-N 1 0 337.420 1.751 20 5 EDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](CC(N)=O)c1ccccc1 ZINC000280564924 273371810 /nfs/dbraw/zinc/37/18/10/273371810.db2.gz RLDPBPYEKZGEJE-HNNXBMFYSA-N 1 0 344.371 1.305 20 5 EDBDRO COc1cc(C[NH2+]CC2([S@](C)=O)CCC2)c([N+](=O)[O-])cc1O ZINC000280608003 273377108 /nfs/dbraw/zinc/37/71/08/273377108.db2.gz JXEIZUDCGPVFTM-QFIPXVFZSA-N 1 0 328.390 1.700 20 5 EDBDRO COCC[C@@]1([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCOC1 ZINC000447074406 274039689 /nfs/dbraw/zinc/03/96/89/274039689.db2.gz FPORJNYCYIQEKI-MRXNPFEDSA-N 1 0 338.360 1.747 20 5 EDBDRO COc1cc(C(C)=O)cc([N+](=O)[O-])c1OC[C@H](O)C[N@H+](C)C1CC1 ZINC000357434151 274091903 /nfs/dbraw/zinc/09/19/03/274091903.db2.gz FBTJFTDSCPDMEH-CYBMUJFWSA-N 1 0 338.360 1.640 20 5 EDBDRO Cn1cc([C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C(N)=O)cn1 ZINC000284489454 274220595 /nfs/dbraw/zinc/22/05/95/274220595.db2.gz CMFPSVVCTWSIKH-CABCVRRESA-N 1 0 329.360 1.029 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[C@H]2C1 ZINC000284540089 274238175 /nfs/dbraw/zinc/23/81/75/274238175.db2.gz LPJSGTPFNLHJIX-JKSUJKDBSA-N 1 0 346.387 1.389 20 5 EDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[NH2+]CC1 ZINC000269109732 275011156 /nfs/dbraw/zinc/01/11/56/275011156.db2.gz DGMKVHZRUBXMOU-UHFFFAOYSA-N 1 0 346.156 1.932 20 5 EDBDRO O=C1C[C@@H]([N@@H+]2CC[C@H](C3CC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000378304059 275019544 /nfs/dbraw/zinc/01/95/44/275019544.db2.gz FWROXSAVEFMIDT-SWLSCSKDSA-N 1 0 329.356 1.959 20 5 EDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1 ZINC000075890216 275039601 /nfs/dbraw/zinc/03/96/01/275039601.db2.gz QOVLSUHYVZWLFX-MRXNPFEDSA-N 1 0 335.404 1.770 20 5 EDBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000332653182 276178357 /nfs/dbraw/zinc/17/83/57/276178357.db2.gz ZWOXZUOLHJUCLE-NSHDSACASA-N 1 0 335.360 1.580 20 5 EDBDRO CC[NH+]1CCN([C@H]2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)C2)CC1 ZINC000278204914 276201969 /nfs/dbraw/zinc/20/19/69/276201969.db2.gz FFFJKLHQBJYXIT-AWEZNQCLSA-N 1 0 345.447 1.779 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(C)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000355369047 276234944 /nfs/dbraw/zinc/23/49/44/276234944.db2.gz BKYHDFBARGFUNI-HZPDHXFCSA-N 1 0 333.388 1.838 20 5 EDBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000289727443 276641780 /nfs/dbraw/zinc/64/17/80/276641780.db2.gz VAKNENUOTVWXBQ-UONOGXRCSA-N 1 0 332.404 1.632 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])C[C@H]21 ZINC000367581006 277146335 /nfs/dbraw/zinc/14/63/35/277146335.db2.gz CJATWKLBZXLUHU-ZWNOBZJWSA-N 1 0 343.380 1.449 20 5 EDBDRO CNC(=O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000104672304 277240783 /nfs/dbraw/zinc/24/07/83/277240783.db2.gz KMTGEBYKMVOIMO-HNNXBMFYSA-N 1 0 348.403 1.832 20 5 EDBDRO C[N@@H+]1CCO[C@@H]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)C[C@H]21 ZINC000286604106 288044003 /nfs/dbraw/zinc/04/40/03/288044003.db2.gz XVQRTPRVZKAXEN-GHMZBOCLSA-N 1 0 335.389 1.509 20 5 EDBDRO C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000373865486 278800134 /nfs/dbraw/zinc/80/01/34/278800134.db2.gz JCNJTFXOLKMWGQ-UKRRQHHQSA-N 1 0 333.436 1.639 20 5 EDBDRO Cc1ccnc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000367199825 278985672 /nfs/dbraw/zinc/98/56/72/278985672.db2.gz FJNKSCOQKNSVQT-CABCVRRESA-N 1 0 333.436 1.760 20 5 EDBDRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000262414126 279875479 /nfs/dbraw/zinc/87/54/79/279875479.db2.gz DKJPFBUFGLIPAC-NSHDSACASA-N 1 0 333.385 1.728 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CC(COc3ccccc3)C2)c1 ZINC000287190550 288177026 /nfs/dbraw/zinc/17/70/26/288177026.db2.gz LABMPWMFMUMQNX-HNNXBMFYSA-N 1 0 332.360 1.163 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000287218323 288183707 /nfs/dbraw/zinc/18/37/07/288183707.db2.gz IPWLHKOMGOBARJ-GFCCVEGCSA-N 1 0 334.376 1.841 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000366357393 280395788 /nfs/dbraw/zinc/39/57/88/280395788.db2.gz QOARBCBEHFVNRY-OLZOCXBDSA-N 1 0 339.417 1.584 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000420416063 280654819 /nfs/dbraw/zinc/65/48/19/280654819.db2.gz BUTSHGGJXNURJG-CHWSQXEVSA-N 1 0 339.417 1.442 20 5 EDBDRO Cc1cccc(N2CCO[C@@H](CN3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000375986899 281229139 /nfs/dbraw/zinc/22/91/39/281229139.db2.gz RVJXDWSWTJRLKY-HNNXBMFYSA-N 1 0 334.420 1.356 20 5 EDBDRO C[NH+](C)CCN(Cc1ccco1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290729708 288943564 /nfs/dbraw/zinc/94/35/64/288943564.db2.gz FTYWMDUFVCOARX-UHFFFAOYSA-N 1 0 333.348 1.250 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccccc1[N+](=O)[O-] ZINC000362158991 289331195 /nfs/dbraw/zinc/33/11/95/289331195.db2.gz ZEEKYHSFKWYCEE-UHOFOFEASA-N 1 0 333.388 1.919 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)O ZINC000177726613 295254936 /nfs/dbraw/zinc/25/49/36/295254936.db2.gz LAESCUCJXLAVFP-SNVBAGLBSA-N 1 0 325.365 1.633 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000191870120 301197847 /nfs/dbraw/zinc/19/78/47/301197847.db2.gz JCWKAWQDPLODEB-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000420443197 304758963 /nfs/dbraw/zinc/75/89/63/304758963.db2.gz YYFGZIUNYAIFGJ-VXGBXAGGSA-N 1 0 327.406 1.149 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[NH2+]C1CC1 ZINC000420448933 304760011 /nfs/dbraw/zinc/76/00/11/304760011.db2.gz MNTXZDHTAVPWNI-UHFFFAOYSA-N 1 0 327.406 1.578 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000420470863 304762545 /nfs/dbraw/zinc/76/25/45/304762545.db2.gz QWCREOYDBHOUQH-MNOVXSKESA-N 1 0 343.405 1.399 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000420477557 304763463 /nfs/dbraw/zinc/76/34/63/304763463.db2.gz ZXFCIWSCVMAGTA-RYUDHWBXSA-N 1 0 327.406 1.699 20 5 EDBDRO COc1ccc(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000420473814 304763053 /nfs/dbraw/zinc/76/30/53/304763053.db2.gz VAYQBNOYXNQVRB-QWRGUYRKSA-N 1 0 343.405 1.399 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000261952171 302043373 /nfs/dbraw/zinc/04/33/73/302043373.db2.gz NFNMDIJFYIWHFC-GFCCVEGCSA-N 1 0 327.406 1.653 20 5 EDBDRO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000295152923 303180708 /nfs/dbraw/zinc/18/07/08/303180708.db2.gz MFRWEDDMXOSGFT-OAHLLOKOSA-N 1 0 326.324 1.745 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000295700115 303254428 /nfs/dbraw/zinc/25/44/28/303254428.db2.gz BXNLNOFXMUKTDV-SNVBAGLBSA-N 1 0 325.340 1.766 20 5 EDBDRO [NH3+][C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1c1ccc(F)cc1 ZINC000297200126 303371669 /nfs/dbraw/zinc/37/16/69/303371669.db2.gz MQOCJHOOTCDALF-HUUCEWRRSA-N 1 0 347.350 1.274 20 5 EDBDRO C[NH+](C)Cc1ccc(N2CCN(c3ncc([N+](=O)[O-])cn3)CC2)nc1 ZINC000302172468 303716142 /nfs/dbraw/zinc/71/61/42/303716142.db2.gz VKVVREQIBWGPKC-UHFFFAOYSA-N 1 0 343.391 1.168 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000321618648 303765890 /nfs/dbraw/zinc/76/58/90/303765890.db2.gz MPPIPHKPQXTNPC-CABCVRRESA-N 1 0 339.417 1.890 20 5 EDBDRO COc1ccc(NC(=O)CCN2CC[C@@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000428032581 305004623 /nfs/dbraw/zinc/00/46/23/305004623.db2.gz KJMLAUBTSQPNFD-JSGCOSHPSA-N 1 0 348.403 1.616 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428045807 305005565 /nfs/dbraw/zinc/00/55/65/305005565.db2.gz RKEUAQOAQFABRO-JSGCOSHPSA-N 1 0 346.387 1.577 20 5 EDBDRO CCCN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CC[NH2+]C1 ZINC000429109240 305024113 /nfs/dbraw/zinc/02/41/13/305024113.db2.gz ZEMWZHSNZICLHS-CYBMUJFWSA-N 1 0 349.387 1.509 20 5 EDBDRO C[C@H]([NH3+])c1ccc(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1 ZINC000429480615 305030641 /nfs/dbraw/zinc/03/06/41/305030641.db2.gz JHSUGFASRVJGGY-NSHDSACASA-N 1 0 331.376 1.863 20 5 EDBDRO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2OC)CC[N@@H+]1C[C@H](C)O ZINC000430231207 305048064 /nfs/dbraw/zinc/04/80/64/305048064.db2.gz XMZGNVLFHUYBGX-DZGCQCFKSA-N 1 0 337.420 1.880 20 5 EDBDRO COc1ccc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000440434656 305206669 /nfs/dbraw/zinc/20/66/69/305206669.db2.gz DSLDLKDNNFIWGQ-NSHDSACASA-N 1 0 341.389 1.118 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000442175296 305226714 /nfs/dbraw/zinc/22/67/14/305226714.db2.gz QJYWTACRXLOXRY-VXGBXAGGSA-N 1 0 334.376 1.441 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000442871058 305230449 /nfs/dbraw/zinc/23/04/49/305230449.db2.gz VVUHXRCZVRXTBG-GYSYKLTISA-N 1 0 334.376 1.569 20 5 EDBDRO [NH3+]C1CCC(OCC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000449070117 305305560 /nfs/dbraw/zinc/30/55/60/305305560.db2.gz JIFDPSXBSPFLNM-UHFFFAOYSA-N 1 0 336.392 1.409 20 5 EDBDRO Nc1c(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc(F)cc1[N+](=O)[O-] ZINC000449696149 305317313 /nfs/dbraw/zinc/31/73/13/305317313.db2.gz JQUXUBSNACRYAQ-MNOVXSKESA-N 1 0 336.367 1.778 20 5 EDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449699445 305317412 /nfs/dbraw/zinc/31/74/12/305317412.db2.gz QTORHRUXEHKYDO-HNNXBMFYSA-N 1 0 343.387 1.898 20 5 EDBDRO Cc1c(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000449725474 305318079 /nfs/dbraw/zinc/31/80/79/305318079.db2.gz ZVAFCDQKZMMFIH-NEPJUHHUSA-N 1 0 344.375 1.341 20 5 EDBDRO C[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)[N@H+]1CCO ZINC000451663281 305360285 /nfs/dbraw/zinc/36/02/85/305360285.db2.gz LGTOHLHRPGXVND-PHIMTYICSA-N 1 0 329.347 1.760 20 5 EDBDRO CC1(C)COC[C@@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000451808773 305370515 /nfs/dbraw/zinc/37/05/15/305370515.db2.gz HALQXZWPBHZSAF-AWEZNQCLSA-N 1 0 335.360 1.907 20 5 EDBDRO C[C@@H](Cc1ccncc1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000519827505 305776144 /nfs/dbraw/zinc/77/61/44/305776144.db2.gz ZAWGHORPGXEBIL-BBRMVZONSA-N 1 0 331.372 1.950 20 5 EDBDRO C[C@@H]1CN(CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCO1 ZINC000534984587 306009783 /nfs/dbraw/zinc/00/97/83/306009783.db2.gz JEQFMOOCFNKOLC-LLVKDONJSA-N 1 0 332.360 1.527 20 5 EDBDRO CCc1ccc(C(=O)N[C@H](CO)CC[NH+](CC)CC)cc1[N+](=O)[O-] ZINC000535834848 306018074 /nfs/dbraw/zinc/01/80/74/306018074.db2.gz WXHDIVCDPJWQHL-HNNXBMFYSA-N 1 0 337.420 1.980 20 5 EDBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000548928705 306142348 /nfs/dbraw/zinc/14/23/48/306142348.db2.gz ZLELXWBMXZNAQA-UHFFFAOYSA-N 1 0 329.360 1.712 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000046036414 441072478 /nfs/dbraw/zinc/07/24/78/441072478.db2.gz WUHFXRLADBVBPI-ZIAGYGMSSA-N 1 0 325.390 1.500 20 5 EDBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000047270969 441172158 /nfs/dbraw/zinc/17/21/58/441172158.db2.gz XBBFBQACFQOMQO-AWEZNQCLSA-N 1 0 349.435 1.990 20 5 EDBDRO CNC(=O)c1ccc(NCCC[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000060378710 441239174 /nfs/dbraw/zinc/23/91/74/441239174.db2.gz MFNRMHHMJNANMM-UHFFFAOYSA-N 1 0 336.392 1.213 20 5 EDBDRO COCC[N@@H+]1CCCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000080948183 441211079 /nfs/dbraw/zinc/21/10/79/441211079.db2.gz ADGBRMXSNCSDFD-UHFFFAOYSA-N 1 0 325.394 1.463 20 5 EDBDRO COc1cc(C(=O)N2CC[NH+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000081033011 441223864 /nfs/dbraw/zinc/22/38/64/441223864.db2.gz BPHFXGPTRIWLSB-UHFFFAOYSA-N 1 0 349.387 1.540 20 5 EDBDRO CN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CCC[N@H+](C)C1 ZINC000073115756 441294296 /nfs/dbraw/zinc/29/42/96/441294296.db2.gz SXOIUPMJWCJEKU-CYBMUJFWSA-N 1 0 349.387 1.461 20 5 EDBDRO CCCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(N)=O ZINC000063500176 441334092 /nfs/dbraw/zinc/33/40/92/441334092.db2.gz PALZPSSICDRUDF-UHFFFAOYSA-N 1 0 336.392 1.819 20 5 EDBDRO Cc1c(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000074288861 441416823 /nfs/dbraw/zinc/41/68/23/441416823.db2.gz MPVNBKOPPNDCHT-LBPRGKRZSA-N 1 0 327.406 1.404 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107629864 441422261 /nfs/dbraw/zinc/42/22/61/441422261.db2.gz FWAMFHAQWGYAPJ-CQSZACIVSA-N 1 0 335.408 1.577 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000074910882 441478365 /nfs/dbraw/zinc/47/83/65/441478365.db2.gz PISKWBIKZHIJPI-UHFFFAOYSA-N 1 0 325.390 1.500 20 5 EDBDRO C[NH+]1CCC(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000075083207 441492236 /nfs/dbraw/zinc/49/22/36/441492236.db2.gz RINCTUUDQWDGFI-UHFFFAOYSA-N 1 0 335.360 1.119 20 5 EDBDRO COc1ccc(CSCC(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000075536965 441532369 /nfs/dbraw/zinc/53/23/69/441532369.db2.gz QTOAKVBFYZEMNG-UHFFFAOYSA-N 1 0 341.433 1.905 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000112917410 441567005 /nfs/dbraw/zinc/56/70/05/441567005.db2.gz AKXJXMDPFQQIPD-AWEZNQCLSA-N 1 0 334.420 1.659 20 5 EDBDRO COC(=O)[C@H](C)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000114063829 441633189 /nfs/dbraw/zinc/63/31/89/441633189.db2.gz JVXYBSKWYYKVTQ-GFCCVEGCSA-N 1 0 337.376 1.973 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000041966998 441689671 /nfs/dbraw/zinc/68/96/71/441689671.db2.gz SSUFWBHOWSKLRG-UHFFFAOYSA-N 1 0 338.408 1.359 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000042055542 441700109 /nfs/dbraw/zinc/70/01/09/441700109.db2.gz HFSRPKYXLHRMFM-ZIAGYGMSSA-N 1 0 332.360 1.276 20 5 EDBDRO O=Cc1ccc(OCC(=O)N2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000068289259 441768782 /nfs/dbraw/zinc/76/87/82/441768782.db2.gz BUMXRVMQWGDBSU-UHFFFAOYSA-N 1 0 347.371 1.340 20 5 EDBDRO C[N@H+](CCCO)C1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000115519748 441752721 /nfs/dbraw/zinc/75/27/21/441752721.db2.gz GVZTXFIOULVOBO-UHFFFAOYSA-N 1 0 338.364 1.786 20 5 EDBDRO Cc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC000137183543 441753466 /nfs/dbraw/zinc/75/34/66/441753466.db2.gz DTCBHAQBLJHLCO-UHFFFAOYSA-N 1 0 333.348 1.819 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000173365356 441724881 /nfs/dbraw/zinc/72/48/81/441724881.db2.gz MYIRQWOHLNXPNJ-YPMHNXCESA-N 1 0 337.405 1.488 20 5 EDBDRO CNS(=O)(=O)c1ccc(NCC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000138706322 441796781 /nfs/dbraw/zinc/79/67/81/441796781.db2.gz RBPMZCPNNHDNMN-UHFFFAOYSA-N 1 0 328.394 1.009 20 5 EDBDRO CC(C)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[NH+]1CCN(C)CC1 ZINC000173707177 441826646 /nfs/dbraw/zinc/82/66/46/441826646.db2.gz XXXBNFFVTBTGFG-KRWDZBQOSA-N 1 0 348.447 1.526 20 5 EDBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173720507 441830472 /nfs/dbraw/zinc/83/04/72/441830472.db2.gz XGZHJOGRCDDKCD-OAHLLOKOSA-N 1 0 348.447 1.527 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c1C ZINC000119066550 441915540 /nfs/dbraw/zinc/91/55/40/441915540.db2.gz CJSILOYVBQQIJL-MNOVXSKESA-N 1 0 327.406 1.583 20 5 EDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000174883427 441977620 /nfs/dbraw/zinc/97/76/20/441977620.db2.gz JFBCUVYAKCRUJL-GFCCVEGCSA-N 1 0 339.396 1.733 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN(C)CCC[NH+]1CCN(C)CC1 ZINC000174718387 441957123 /nfs/dbraw/zinc/95/71/23/441957123.db2.gz YIIJHLIRKMQNDJ-UHFFFAOYSA-N 1 0 336.436 1.673 20 5 EDBDRO Cc1c(CC(=O)NCCCC[NH+]2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000161460659 442001961 /nfs/dbraw/zinc/00/19/61/442001961.db2.gz ZVTJAISNOMOLRC-UHFFFAOYSA-N 1 0 348.447 1.590 20 5 EDBDRO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000120547688 442092279 /nfs/dbraw/zinc/09/22/79/442092279.db2.gz MNQFFONPMLSMPE-ZDUSSCGKSA-N 1 0 345.359 1.875 20 5 EDBDRO CN(CC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000079827522 442087919 /nfs/dbraw/zinc/08/79/19/442087919.db2.gz DHJRJLWKKWWPRA-CQSZACIVSA-N 1 0 332.404 1.728 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CC[NH2+]C1 ZINC000126681119 442134163 /nfs/dbraw/zinc/13/41/63/442134163.db2.gz SHUGMBFSGRHJJU-SECBINFHSA-N 1 0 328.166 1.378 20 5 EDBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000164183373 442192030 /nfs/dbraw/zinc/19/20/30/442192030.db2.gz NCLSZBPXHROCQD-NSHDSACASA-N 1 0 344.375 1.668 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000152385041 442206020 /nfs/dbraw/zinc/20/60/20/442206020.db2.gz LZPOXGWEXJTOHE-UHFFFAOYSA-N 1 0 325.365 1.302 20 5 EDBDRO O=C(NC[C@@H]1CN(C2CC2)CCO1)c1cc([N+](=O)[O-])ccc1Cl ZINC000127477790 442206252 /nfs/dbraw/zinc/20/62/52/442206252.db2.gz KWIOKBZPJKQTFB-GFCCVEGCSA-N 1 0 339.779 1.841 20 5 EDBDRO O=C(NCC[NH2+]C1CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165860645 442211571 /nfs/dbraw/zinc/21/15/71/442211571.db2.gz WTLRJDRVKGNSDG-UHFFFAOYSA-N 1 0 328.166 1.839 20 5 EDBDRO CC(C)NC(=O)c1ccc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000153190637 442266711 /nfs/dbraw/zinc/26/67/11/442266711.db2.gz APMCJBLWNNBPKT-HZPDHXFCSA-N 1 0 348.403 1.252 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000171129937 442317650 /nfs/dbraw/zinc/31/76/50/442317650.db2.gz WGDCCVMRNDWPNV-UHFFFAOYSA-N 1 0 327.406 1.625 20 5 EDBDRO COc1cc(C[NH2+]CC2(OC)CCOCC2)c([N+](=O)[O-])cc1OC ZINC000610959349 450392881 /nfs/dbraw/zinc/39/28/81/450392881.db2.gz JTJXOOSTTBPKCA-UHFFFAOYSA-N 1 0 340.376 1.897 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000191675286 442487999 /nfs/dbraw/zinc/48/79/99/442487999.db2.gz GMHLZMIYAINRDV-UHFFFAOYSA-N 1 0 335.408 1.902 20 5 EDBDRO COCCN1CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000186335654 442513669 /nfs/dbraw/zinc/51/36/69/442513669.db2.gz UZUPDJFMUGWIMP-BUHFOSPRSA-N 1 0 333.388 1.789 20 5 EDBDRO COc1cc(S(=O)(=O)N2CCC([C@H](C)[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000178924305 442526903 /nfs/dbraw/zinc/52/69/03/442526903.db2.gz AWJXYVGUUDPVMU-JTQLQIEISA-N 1 0 343.405 1.351 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000192525271 442657898 /nfs/dbraw/zinc/65/78/98/442657898.db2.gz RROXXUQVUXWRCP-GFCCVEGCSA-N 1 0 337.376 1.444 20 5 EDBDRO Nc1ccc([N+](=O)[O-])c(N2CCCN(CC(=O)N3CCCC3)CC2)c1 ZINC000192774117 442684834 /nfs/dbraw/zinc/68/48/34/442684834.db2.gz KESCGKKHKBBZNU-UHFFFAOYSA-N 1 0 347.419 1.312 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+][C@H](CCO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000181485805 442700142 /nfs/dbraw/zinc/70/01/42/442700142.db2.gz AGKJSWNDZKNUIV-CQSZACIVSA-N 1 0 339.392 1.929 20 5 EDBDRO Cc1nccn1CCC[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000136307810 442659244 /nfs/dbraw/zinc/65/92/44/442659244.db2.gz ZSWKTDDJMISCKB-INIZCTEOSA-N 1 0 348.403 1.862 20 5 EDBDRO O=C(NCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccn[nH]1 ZINC000193275001 442728621 /nfs/dbraw/zinc/72/86/21/442728621.db2.gz UGWCGKAOSVCZIW-CQSZACIVSA-N 1 0 329.360 1.715 20 5 EDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000193333107 442733626 /nfs/dbraw/zinc/73/36/26/442733626.db2.gz QMJMUFCEEZCTRO-CYBMUJFWSA-N 1 0 347.419 1.790 20 5 EDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000193496579 442748803 /nfs/dbraw/zinc/74/88/03/442748803.db2.gz QPLQTLYRLVHXTR-YPMHNXCESA-N 1 0 329.360 1.651 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000193736191 442775833 /nfs/dbraw/zinc/77/58/33/442775833.db2.gz QKCCXJFZKFYYLQ-UHFFFAOYSA-N 1 0 334.376 1.394 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000246745393 442809918 /nfs/dbraw/zinc/80/99/18/442809918.db2.gz NLDWYBIHPCNBFX-AFJNRPGYSA-N 1 0 333.388 1.522 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](C[C@H]2CCCO2)C2CCCC2)c1 ZINC000247552267 442861821 /nfs/dbraw/zinc/86/18/21/442861821.db2.gz QBKDXVSJFHBXKG-JKSUJKDBSA-N 1 0 338.408 1.576 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C[C@@H](C)O)[C@H](C)CO ZINC000248878824 442934350 /nfs/dbraw/zinc/93/43/50/442934350.db2.gz CUMKAXXLMVWODT-CHWSQXEVSA-N 1 0 339.392 1.295 20 5 EDBDRO CC[C@@]1(CO)CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000189649252 442988809 /nfs/dbraw/zinc/98/88/09/442988809.db2.gz UJKMMAIUBFLQLL-KRWDZBQOSA-N 1 0 333.388 1.721 20 5 EDBDRO C[C@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000266157293 443038103 /nfs/dbraw/zinc/03/81/03/443038103.db2.gz IDQMRJKJSDNJDC-SWLSCSKDSA-N 1 0 348.403 1.123 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184637068 443052896 /nfs/dbraw/zinc/05/28/96/443052896.db2.gz VNGWMFTUIXUVMG-KGLIPLIRSA-N 1 0 341.433 1.887 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000236654227 443141919 /nfs/dbraw/zinc/14/19/19/443141919.db2.gz PSNTVJMUNZANJQ-GFCCVEGCSA-N 1 0 329.422 1.897 20 5 EDBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C[C@H]21 ZINC000185072808 443129614 /nfs/dbraw/zinc/12/96/14/443129614.db2.gz URYNTYPCEWFDJL-YUTCNCBUSA-N 1 0 330.388 1.978 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185232205 443165645 /nfs/dbraw/zinc/16/56/45/443165645.db2.gz CRGJIOKECBJFMO-UHFFFAOYSA-N 1 0 327.406 1.618 20 5 EDBDRO COCC[N@H+](CCc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266553901 443167149 /nfs/dbraw/zinc/16/71/49/443167149.db2.gz VAGFBDKEYIFESB-KRWDZBQOSA-N 1 0 348.403 1.343 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000237457401 443172668 /nfs/dbraw/zinc/17/26/68/443172668.db2.gz QCECWVPVAZLLIN-FZMZJTMJSA-N 1 0 327.406 1.626 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1C ZINC000262327425 443190510 /nfs/dbraw/zinc/19/05/10/443190510.db2.gz RZOBEBQXWWGCIH-VXGBXAGGSA-N 1 0 327.406 1.569 20 5 EDBDRO CN1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000266541940 443162633 /nfs/dbraw/zinc/16/26/33/443162633.db2.gz GVYGZEVHGRLASH-HNNXBMFYSA-N 1 0 331.376 1.104 20 5 EDBDRO [NH3+]C[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CCCO1 ZINC000313363889 318931335 /nfs/dbraw/zinc/93/13/35/318931335.db2.gz ULVGIIPZYXQUAE-MRVPVSSYSA-N 1 0 331.170 1.306 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000262750537 443209848 /nfs/dbraw/zinc/20/98/48/443209848.db2.gz BSQFCGMQCJMWDA-NWDGAFQWSA-N 1 0 327.406 1.630 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C1(C[NH3+])CCC1 ZINC000385369733 319127975 /nfs/dbraw/zinc/12/79/75/319127975.db2.gz XILJAAYSQJKDAH-UHFFFAOYSA-N 1 0 329.378 1.105 20 5 EDBDRO CC(C)[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H](C)[NH3+] ZINC000399394885 319137564 /nfs/dbraw/zinc/13/75/64/319137564.db2.gz APRQIOZYXUQBQK-XJKSGUPXSA-N 1 0 334.420 1.863 20 5 EDBDRO C[C@H]([NH2+][C@@H](CO)[C@H]1CCCOC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411995511 319219394 /nfs/dbraw/zinc/21/93/94/319219394.db2.gz QADSWGBSTLGNSW-HUBLWGQQSA-N 1 0 337.376 1.299 20 5 EDBDRO COC(=O)[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[N@H+](C)C1 ZINC000413497084 319271191 /nfs/dbraw/zinc/27/11/91/319271191.db2.gz LAHCAXOUNYYSRQ-CYBMUJFWSA-N 1 0 344.371 1.684 20 5 EDBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C[C@H]1C ZINC000414074604 319315361 /nfs/dbraw/zinc/31/53/61/319315361.db2.gz NCGYKSPLIBYHLW-GYSYKLTISA-N 1 0 327.406 1.507 20 5 EDBDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1C ZINC000414091821 319317086 /nfs/dbraw/zinc/31/70/86/319317086.db2.gz LFRBPURJFCABAY-AGIUHOORSA-N 1 0 341.433 1.897 20 5 EDBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000264385290 443272344 /nfs/dbraw/zinc/27/23/44/443272344.db2.gz GFDGGTFYFATAJB-CYBMUJFWSA-N 1 0 335.408 1.165 20 5 EDBDRO CCC(CC)(CCO)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000282370199 443319125 /nfs/dbraw/zinc/31/91/25/443319125.db2.gz DYYTZRRQJQYHAC-ZDUSSCGKSA-N 1 0 326.393 1.865 20 5 EDBDRO COCC[N@@H+]1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000264571354 443331347 /nfs/dbraw/zinc/33/13/47/443331347.db2.gz HPXUHZMJLFFGKZ-LBPRGKRZSA-N 1 0 334.376 1.612 20 5 EDBDRO COC[C@H](C)OC[C@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000278465675 443340196 /nfs/dbraw/zinc/34/01/96/443340196.db2.gz ZKNSYJJFXNKWJB-SUMWQHHRSA-N 1 0 338.404 1.972 20 5 EDBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282564599 443376227 /nfs/dbraw/zinc/37/62/27/443376227.db2.gz DWJGYDHORVDVNM-AWEZNQCLSA-N 1 0 334.376 1.476 20 5 EDBDRO CC[C@@H](NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000419160701 319564978 /nfs/dbraw/zinc/56/49/78/319564978.db2.gz HPCBTZZZCAKOMO-RHSMWYFYSA-N 1 0 348.403 1.359 20 5 EDBDRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCSC1 ZINC000267182286 443369642 /nfs/dbraw/zinc/36/96/42/443369642.db2.gz XPDTWOQMRKBCAT-CYBMUJFWSA-N 1 0 345.446 1.310 20 5 EDBDRO CN(C)C(=O)N1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278725319 443415365 /nfs/dbraw/zinc/41/53/65/443415365.db2.gz PXZABSVRQRSCKS-UHFFFAOYSA-N 1 0 346.391 1.707 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420446721 319620526 /nfs/dbraw/zinc/62/05/26/319620526.db2.gz BREZVTMAPIQPEK-QWHCGFSZSA-N 1 0 339.417 1.605 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278964963 443475426 /nfs/dbraw/zinc/47/54/26/443475426.db2.gz XCVBVGMBRDWYHR-QGZVFWFLSA-N 1 0 346.387 1.444 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000272888655 443480351 /nfs/dbraw/zinc/48/03/51/443480351.db2.gz YBDXQFJIEAQXHS-LBPRGKRZSA-N 1 0 338.364 1.446 20 5 EDBDRO CC[N@@H+]1CCCC[C@H]1CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000272903432 443484644 /nfs/dbraw/zinc/48/46/44/443484644.db2.gz MKTPBXTZARBUJZ-LBPRGKRZSA-N 1 0 342.421 1.529 20 5 EDBDRO COc1cc(C(=O)NC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC(F)F ZINC000272975179 443508292 /nfs/dbraw/zinc/50/82/92/443508292.db2.gz CDXIPSYYUWIXHX-MRVPVSSYSA-N 1 0 345.302 1.544 20 5 EDBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000425475369 319843146 /nfs/dbraw/zinc/84/31/46/319843146.db2.gz KWJHZKMRTLCZLK-DGCLKSJQSA-N 1 0 345.193 1.987 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272428115 443622411 /nfs/dbraw/zinc/62/24/11/443622411.db2.gz IVDWYSLWVQVWQI-XHDPSFHLSA-N 1 0 348.359 1.978 20 5 EDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000286029263 443629249 /nfs/dbraw/zinc/62/92/49/443629249.db2.gz KEFIUCCXAMLLIG-LSYCYVAJSA-N 1 0 344.371 1.965 20 5 EDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000275584833 443632478 /nfs/dbraw/zinc/63/24/78/443632478.db2.gz DMNITHKJCJWANL-STQMWFEESA-N 1 0 334.376 1.101 20 5 EDBDRO C[C@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1[NH3+] ZINC000429187443 319924068 /nfs/dbraw/zinc/92/40/68/319924068.db2.gz JNAPTDLWHDUWIU-CMPLNLGQSA-N 1 0 335.360 1.104 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(CC[NH+](C)C)cc2)n1 ZINC000276147396 443654228 /nfs/dbraw/zinc/65/42/28/443654228.db2.gz FWHAUGHYZGMLOI-UHFFFAOYSA-N 1 0 331.376 1.362 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)c1[N+](=O)[O-] ZINC000440803617 320080566 /nfs/dbraw/zinc/08/05/66/320080566.db2.gz UYSDHXAMDTYQSC-ZDUSSCGKSA-N 1 0 341.433 1.961 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](O)[C@H]2C)cc1[N+](=O)[O-] ZINC000449472349 320192138 /nfs/dbraw/zinc/19/21/38/320192138.db2.gz PKTZDLGZAPOVKP-BXUZGUMPSA-N 1 0 338.360 1.492 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H](O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000449472350 320192180 /nfs/dbraw/zinc/19/21/80/320192180.db2.gz PKTZDLGZAPOVKP-FZMZJTMJSA-N 1 0 338.360 1.492 20 5 EDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000449642736 320196066 /nfs/dbraw/zinc/19/60/66/320196066.db2.gz XTXGPSMSMLXPIZ-JSGCOSHPSA-N 1 0 348.403 1.348 20 5 EDBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449741765 320203591 /nfs/dbraw/zinc/20/35/91/320203591.db2.gz LVBBIGIQBISDSR-MFKMUULPSA-N 1 0 339.779 1.837 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC000451495174 320235558 /nfs/dbraw/zinc/23/55/58/320235558.db2.gz KZWOZCFGDFGVDE-ZIAGYGMSSA-N 1 0 337.376 1.945 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000452112724 320242153 /nfs/dbraw/zinc/24/21/53/320242153.db2.gz GWAPADBTUNXAIT-INIZCTEOSA-N 1 0 346.431 1.898 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000452354935 320247823 /nfs/dbraw/zinc/24/78/23/320247823.db2.gz WPIIGEHXCNHOGJ-LBPRGKRZSA-N 1 0 337.376 1.180 20 5 EDBDRO COC(=O)CC1([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCC1 ZINC000459386989 320348180 /nfs/dbraw/zinc/34/81/80/320348180.db2.gz IVXVNLTZXNEXER-UHFFFAOYSA-N 1 0 335.360 1.917 20 5 EDBDRO CC[NH+]1CCN(CCNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286286383 443683679 /nfs/dbraw/zinc/68/36/79/443683679.db2.gz XOOGSWREBJJAPK-UHFFFAOYSA-N 1 0 336.421 1.649 20 5 EDBDRO CCOc1cc(CN(C)C2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000492770075 320385550 /nfs/dbraw/zinc/38/55/50/320385550.db2.gz LDFJRQHLWQGNSO-UHFFFAOYSA-N 1 0 337.420 1.882 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000517359975 320448757 /nfs/dbraw/zinc/44/87/57/320448757.db2.gz YJXJOYTYKLJRLD-UONOGXRCSA-N 1 0 346.387 1.698 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000298465875 443775803 /nfs/dbraw/zinc/77/58/03/443775803.db2.gz IKKVPSNLUHPZGT-CVEARBPZSA-N 1 0 348.403 1.328 20 5 EDBDRO C[NH+](C)CCN1CCC(Nc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000298484093 443779958 /nfs/dbraw/zinc/77/99/58/443779958.db2.gz VZKSCYVMTSHLHV-UHFFFAOYSA-N 1 0 334.380 1.569 20 5 EDBDRO CC(C)OCC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000530466053 320625978 /nfs/dbraw/zinc/62/59/78/320625978.db2.gz KOHBRDWZFJHMIW-OAHLLOKOSA-N 1 0 338.408 1.288 20 5 EDBDRO Cc1cc(OCC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000281375910 443893533 /nfs/dbraw/zinc/89/35/33/443893533.db2.gz GJXLEQURYJKEKH-KGLIPLIRSA-N 1 0 333.388 1.977 20 5 EDBDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000281290465 443870806 /nfs/dbraw/zinc/87/08/06/443870806.db2.gz YCFORSRHKWQUIK-AWEZNQCLSA-N 1 0 341.433 1.841 20 5 EDBDRO CCOC(=O)[C@]1(COC)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000281316897 443877972 /nfs/dbraw/zinc/87/79/72/443877972.db2.gz IMEAAAGWPYRTEI-OAHLLOKOSA-N 1 0 340.380 1.083 20 5 EDBDRO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000537940616 320740037 /nfs/dbraw/zinc/74/00/37/320740037.db2.gz QJWIVUDVZDSXLV-WDEREUQCSA-N 1 0 343.405 1.335 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCOc2ccccc2Cl)c1 ZINC000565300614 321180285 /nfs/dbraw/zinc/18/02/85/321180285.db2.gz XFXITYATPLDFMT-LBPRGKRZSA-N 1 0 340.767 1.474 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000565805760 321201080 /nfs/dbraw/zinc/20/10/80/321201080.db2.gz AUIYQZXPQHTNIR-ZDUSSCGKSA-N 1 0 348.403 1.841 20 5 EDBDRO CCS[C@@H]1CCC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000566113300 321216667 /nfs/dbraw/zinc/21/66/67/321216667.db2.gz XUIVZHHXHGUABX-FPMFFAJLSA-N 1 0 328.438 1.806 20 5 EDBDRO Cc1nc(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000566113273 321216860 /nfs/dbraw/zinc/21/68/60/321216860.db2.gz IZSKQDZQPBHFKD-AWEZNQCLSA-N 1 0 335.360 1.772 20 5 EDBDRO COc1cccc(C(C)(C)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000566114554 321217191 /nfs/dbraw/zinc/21/71/91/321217191.db2.gz JDRZJZGLFCGNHO-OAHLLOKOSA-N 1 0 348.403 1.728 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC[C@@H]2CCc3ccccc32)c1 ZINC000568873063 321309529 /nfs/dbraw/zinc/30/95/29/321309529.db2.gz JOSDIXSNIJMRLH-HOCLYGCPSA-N 1 0 330.388 1.862 20 5 EDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000569434917 321325453 /nfs/dbraw/zinc/32/54/53/321325453.db2.gz UCESVSZIPBONGB-UHFFFAOYSA-N 1 0 333.392 1.520 20 5 EDBDRO O=C(CC[NH2+][C@H]1CCn2ccnc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000570156749 321339396 /nfs/dbraw/zinc/33/93/96/321339396.db2.gz KUVFITAHYUNKOT-LBPRGKRZSA-N 1 0 329.360 1.725 20 5 EDBDRO CN(C(=O)CN1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000571088307 321370255 /nfs/dbraw/zinc/37/02/55/321370255.db2.gz SFAGRZKTAHINNH-KRWDZBQOSA-N 1 0 332.404 1.633 20 5 EDBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000299659264 444108277 /nfs/dbraw/zinc/10/82/77/444108277.db2.gz VDWNKNWZBNRBNY-OKILXGFUSA-N 1 0 349.435 1.554 20 5 EDBDRO C[C@H]1C[N@H+](CCCNc2ncc([N+](=O)[O-])cc2C(N)=O)CCCO1 ZINC000278152970 444108381 /nfs/dbraw/zinc/10/83/81/444108381.db2.gz OAXPTMVRDYIGRH-NSHDSACASA-N 1 0 337.380 1.002 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)[C@H]2C1 ZINC000285885750 444141172 /nfs/dbraw/zinc/14/11/72/444141172.db2.gz SBHZMBBQMNSQER-ZFWWWQNUSA-N 1 0 345.355 1.886 20 5 EDBDRO COCC[NH2+]C1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000572773037 321439040 /nfs/dbraw/zinc/43/90/40/321439040.db2.gz XMAZFJAWUQLSSY-UHFFFAOYSA-N 1 0 336.392 1.234 20 5 EDBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CCC[N@@H+](CCCO)C2)s1 ZINC000294857437 444151295 /nfs/dbraw/zinc/15/12/95/444151295.db2.gz BUJVAADXPBDZFP-SNVBAGLBSA-N 1 0 337.405 1.858 20 5 EDBDRO CNS(=O)(=O)c1ccc(NC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000301198451 444153933 /nfs/dbraw/zinc/15/39/33/444153933.db2.gz KZBXYZUICVUUFQ-LLVKDONJSA-N 1 0 342.421 1.257 20 5 EDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000301261545 444158582 /nfs/dbraw/zinc/15/85/82/444158582.db2.gz GJXUWQSWQMVYAJ-LBPRGKRZSA-N 1 0 339.827 1.859 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000301343614 444165307 /nfs/dbraw/zinc/16/53/07/444165307.db2.gz IXHVJZBXPKLCMN-MAZHCROVSA-N 1 0 344.415 1.875 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000301419708 444170064 /nfs/dbraw/zinc/17/00/64/444170064.db2.gz BQQXIFAJCCKTGL-CYBMUJFWSA-N 1 0 348.403 1.113 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000299712711 444122710 /nfs/dbraw/zinc/12/27/10/444122710.db2.gz QSONYPOUOZNZPZ-JSGCOSHPSA-N 1 0 346.387 1.537 20 5 EDBDRO CCC[N@@H+]1CC[C@H](CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000302138293 444205668 /nfs/dbraw/zinc/20/56/68/444205668.db2.gz NPPTXLHLTCCNTC-LLVKDONJSA-N 1 0 342.421 1.386 20 5 EDBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000301495575 444175250 /nfs/dbraw/zinc/17/52/50/444175250.db2.gz ARONXSNQBRDNCZ-CYBMUJFWSA-N 1 0 336.392 1.462 20 5 EDBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000296963709 444265750 /nfs/dbraw/zinc/26/57/50/444265750.db2.gz CTYLJGCCONJJCG-ZDUSSCGKSA-N 1 0 332.364 1.223 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000577371059 321646618 /nfs/dbraw/zinc/64/66/18/321646618.db2.gz KMCWKZXRBDHKRO-YPMHNXCESA-N 1 0 325.390 1.194 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1C ZINC000317488362 444315876 /nfs/dbraw/zinc/31/58/76/444315876.db2.gz ZZKZCVYFAALSNO-NEPJUHHUSA-N 1 0 327.406 1.712 20 5 EDBDRO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCC2CC[NH2+]CC2)C1=O ZINC000577621933 321668511 /nfs/dbraw/zinc/66/85/11/321668511.db2.gz MVMHVOPLRJEKDF-KRWDZBQOSA-N 1 0 346.387 1.752 20 5 EDBDRO Cc1noc(CCC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000577859901 321688684 /nfs/dbraw/zinc/68/86/84/321688684.db2.gz LRGISCSIBUPJDZ-LBPRGKRZSA-N 1 0 336.348 1.248 20 5 EDBDRO C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000312198152 444294654 /nfs/dbraw/zinc/29/46/54/444294654.db2.gz DGUDNFGTSOBVQI-UHFFFAOYSA-N 1 0 343.181 1.530 20 5 EDBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000290605403 444300583 /nfs/dbraw/zinc/30/05/83/444300583.db2.gz AYVYNYKAYCYXNJ-GFCCVEGCSA-N 1 0 326.401 1.211 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000322032281 444338500 /nfs/dbraw/zinc/33/85/00/444338500.db2.gz XIPIBAARWCVKDW-WFASDCNBSA-N 1 0 339.417 1.748 20 5 EDBDRO O=C(CC1CC[NH2+]CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000325082487 444361474 /nfs/dbraw/zinc/36/14/74/444361474.db2.gz JDCLBPGOTGZUHR-UHFFFAOYSA-N 1 0 333.392 1.028 20 5 EDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298042457 444394809 /nfs/dbraw/zinc/39/48/09/444394809.db2.gz GYDZRDNKVZNYJE-VIFPVBQESA-N 1 0 340.767 1.397 20 5 EDBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000331193079 444438770 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325.413 1.401 20 5 EDBDRO COC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)cc1 ZINC000342319896 444628351 /nfs/dbraw/zinc/62/83/51/444628351.db2.gz FULUNLRJHWWSGR-OAHLLOKOSA-N 1 0 335.335 1.873 20 5 EDBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1O ZINC000341046535 444651735 /nfs/dbraw/zinc/65/17/35/444651735.db2.gz MIKKSNOUOMQQBR-XHDPSFHLSA-N 1 0 337.376 1.635 20 5 EDBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCn1nc2ccccn2c1=O ZINC000338362870 444656000 /nfs/dbraw/zinc/65/60/00/444656000.db2.gz QBCMZQXDYNEGPJ-UHFFFAOYSA-N 1 0 341.371 1.579 20 5 EDBDRO CNC(=O)c1ccc(N(C)C[C@H]2C[C@@H](OC)C[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000343877118 444641146 /nfs/dbraw/zinc/64/11/46/444641146.db2.gz MKKTYPOXYZYKGZ-CHWSQXEVSA-N 1 0 336.392 1.110 20 5 EDBDRO CO[C@H]1C[C@H](CN(C)c2ncnc3cccc([N+](=O)[O-])c32)[N@H+](C)C1 ZINC000343884087 444645895 /nfs/dbraw/zinc/64/58/95/444645895.db2.gz CGFMRCMBZMUAPB-NEPJUHHUSA-N 1 0 331.376 1.693 20 5 EDBDRO Cc1sc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000342485168 444711571 /nfs/dbraw/zinc/71/15/71/444711571.db2.gz ASFRSJHVIQFVMT-SNVBAGLBSA-N 1 0 333.435 1.679 20 5 EDBDRO COc1cc(C[N@@H+]2CCC[C@](O)(Cn3ccnn3)C2)ccc1[N+](=O)[O-] ZINC000343944992 444685869 /nfs/dbraw/zinc/68/58/69/444685869.db2.gz HKPNQXUMIUWMNC-MRXNPFEDSA-N 1 0 347.375 1.222 20 5 EDBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000330393828 444964048 /nfs/dbraw/zinc/96/40/48/444964048.db2.gz CLWXMYSDRROLNK-ZDUSSCGKSA-N 1 0 335.408 1.165 20 5 EDBDRO CS[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000330534639 445022303 /nfs/dbraw/zinc/02/23/03/445022303.db2.gz IVKIFKJHXZPTGX-QWHCGFSZSA-N 1 0 327.381 1.852 20 5 EDBDRO O=C(CC[N@H+]1CCSC[C@@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000337209960 444987270 /nfs/dbraw/zinc/98/72/70/444987270.db2.gz BNVAMNPSEJIANL-LBPRGKRZSA-N 1 0 339.417 1.723 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCCC[C@H]2OC(F)F)c1 ZINC000337383879 445056958 /nfs/dbraw/zinc/05/69/58/445056958.db2.gz FBYFISYIRMJBCT-GRYCIOLGSA-N 1 0 334.323 1.292 20 5 EDBDRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000337408248 445066896 /nfs/dbraw/zinc/06/68/96/445066896.db2.gz KHTMEQJHYHQULW-NWDGAFQWSA-N 1 0 335.360 1.807 20 5 EDBDRO Cn1nccc1[C@@H]1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC(=O)N1C ZINC000343394461 445215285 /nfs/dbraw/zinc/21/52/85/445215285.db2.gz GGTKPEPZQDMAPX-PBHICJAKSA-N 1 0 343.387 1.780 20 5 EDBDRO COc1cc(C[NH2+][C@H](CC(N)=O)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000348279085 445336584 /nfs/dbraw/zinc/33/65/84/445336584.db2.gz NVZOYXRPCAXRSD-CYBMUJFWSA-N 1 0 337.376 1.364 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351862453 445346592 /nfs/dbraw/zinc/34/65/92/445346592.db2.gz PAKQUUAPMIRBQJ-NEPJUHHUSA-N 1 0 336.392 1.601 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000357063624 445403094 /nfs/dbraw/zinc/40/30/94/445403094.db2.gz GGVDKWPVZJHHRD-NEPJUHHUSA-N 1 0 336.392 1.566 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000357063640 445403489 /nfs/dbraw/zinc/40/34/89/445403489.db2.gz GGVDKWPVZJHHRD-VXGBXAGGSA-N 1 0 336.392 1.566 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357094074 445424933 /nfs/dbraw/zinc/42/49/33/445424933.db2.gz YBEYWVKUXZCSSL-KGLIPLIRSA-N 1 0 332.404 1.773 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1 ZINC000362455464 445390994 /nfs/dbraw/zinc/39/09/94/445390994.db2.gz SMMUOQMZCUJRRD-YSVLISHTSA-N 1 0 336.388 1.835 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@]1(CO)CCOC1 ZINC000359832667 445451674 /nfs/dbraw/zinc/45/16/74/445451674.db2.gz LVMAUSOTCYFMPQ-INIZCTEOSA-N 1 0 337.376 1.315 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000362598051 445456918 /nfs/dbraw/zinc/45/69/18/445456918.db2.gz GBEPYOBSBUPYMV-ZDUSSCGKSA-N 1 0 349.387 1.461 20 5 EDBDRO CC(C)(O)C[NH+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000352048223 445458441 /nfs/dbraw/zinc/45/84/41/445458441.db2.gz LFUZMXDRJVDFSY-UHFFFAOYSA-N 1 0 329.347 1.762 20 5 EDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000362604019 445459082 /nfs/dbraw/zinc/45/90/82/445459082.db2.gz XMDQCKMHRBGXFX-LBPRGKRZSA-N 1 0 349.387 1.461 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H]1Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000362672363 445491371 /nfs/dbraw/zinc/49/13/71/445491371.db2.gz MPHNCNROTZTFNG-DGCLKSJQSA-N 1 0 327.406 1.893 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@@H]1Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000362672364 445491438 /nfs/dbraw/zinc/49/14/38/445491438.db2.gz MPHNCNROTZTFNG-WCQYABFASA-N 1 0 327.406 1.893 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000362762526 445537703 /nfs/dbraw/zinc/53/77/03/445537703.db2.gz KBVGNQVOEBPQRC-JTQLQIEISA-N 1 0 343.330 1.252 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000360145781 445593683 /nfs/dbraw/zinc/59/36/83/445593683.db2.gz ZUNIDVAMXQPRQA-CYBMUJFWSA-N 1 0 337.376 1.640 20 5 EDBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000363098964 445677901 /nfs/dbraw/zinc/67/79/01/445677901.db2.gz INBGWDMACKDDOQ-QWRGUYRKSA-N 1 0 329.360 1.828 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000360655644 445719652 /nfs/dbraw/zinc/71/96/52/445719652.db2.gz ZBALNCNFANLWKN-RYUDHWBXSA-N 1 0 327.406 1.664 20 5 EDBDRO CCOCCC[N@@H+]1CC[C@H](Nc2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000360334853 445699441 /nfs/dbraw/zinc/69/94/41/445699441.db2.gz LBBZNYFZPIVWPO-OLZOCXBDSA-N 1 0 325.413 1.877 20 5 EDBDRO C[C@H](NC(=O)NCCNc1cc[nH+]cc1)c1cccc([N+](=O)[O-])c1 ZINC000356190219 445668765 /nfs/dbraw/zinc/66/87/65/445668765.db2.gz OODMUKZIWBBONJ-LBPRGKRZSA-N 1 0 329.360 1.884 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]C[C@@](C)(O)C(C)C)cc1[N+](=O)[O-] ZINC000353735162 445731581 /nfs/dbraw/zinc/73/15/81/445731581.db2.gz HLAMQNPUGDBNKR-MRXNPFEDSA-N 1 0 340.376 1.643 20 5 EDBDRO Cc1nc2n(n1)CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000363309835 445761032 /nfs/dbraw/zinc/76/10/32/445761032.db2.gz YXJNOTNRQMUPBG-UHFFFAOYSA-N 1 0 330.348 1.339 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000356428051 445785621 /nfs/dbraw/zinc/78/56/21/445785621.db2.gz OITQYABRIIPYIS-UHFFFAOYSA-N 1 0 344.375 1.118 20 5 EDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000354010169 445853707 /nfs/dbraw/zinc/85/37/07/445853707.db2.gz XBSZZLRWCDZAFP-ZDUSSCGKSA-N 1 0 343.387 1.947 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000356736288 445977524 /nfs/dbraw/zinc/97/75/24/445977524.db2.gz AOEJAONLIUZZEO-YPMHNXCESA-N 1 0 333.392 1.417 20 5 EDBDRO CC[C@@](C)([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(N)=O ZINC000351269228 446022372 /nfs/dbraw/zinc/02/23/72/446022372.db2.gz LSSZLRZDOHCIPA-OAHLLOKOSA-N 1 0 338.364 1.176 20 5 EDBDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000366131445 446032477 /nfs/dbraw/zinc/03/24/77/446032477.db2.gz ZLYFHSFLWWTVFP-GFCCVEGCSA-N 1 0 334.376 1.221 20 5 EDBDRO CC(C)[NH2+]CCCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000583193574 326022822 /nfs/dbraw/zinc/02/28/22/326022822.db2.gz CSXMBOSXDAFVRK-UHFFFAOYSA-N 1 0 336.392 1.756 20 5 EDBDRO COc1cc(OCC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000356831550 446055169 /nfs/dbraw/zinc/05/51/69/446055169.db2.gz ANRDYGQOUBGPHK-NWDGAFQWSA-N 1 0 337.376 1.533 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000583758516 326134878 /nfs/dbraw/zinc/13/48/78/326134878.db2.gz MHAKEVPZCPKKSW-UHFFFAOYSA-N 1 0 334.376 1.429 20 5 EDBDRO CN1C(=O)C[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccc(F)cc1 ZINC000365190896 446073171 /nfs/dbraw/zinc/07/31/71/446073171.db2.gz PNCQYRKUOIXIQK-BBRMVZONSA-N 1 0 347.350 1.492 20 5 EDBDRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000369322885 446073224 /nfs/dbraw/zinc/07/32/24/446073224.db2.gz UJTXAGRPYCHDMJ-RTCCRHLQSA-N 1 0 345.808 1.891 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000369323356 446073411 /nfs/dbraw/zinc/07/34/11/446073411.db2.gz WRRYIHZUMHMDEC-YUTCNCBUSA-N 1 0 339.417 1.651 20 5 EDBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000362031158 446167441 /nfs/dbraw/zinc/16/74/41/446167441.db2.gz ZTQFJXGZGOBHHU-NILFDRSVSA-N 1 0 337.376 1.705 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000370202012 446191149 /nfs/dbraw/zinc/19/11/49/446191149.db2.gz RQSPKAGMCIFBMB-INIZCTEOSA-N 1 0 335.404 1.900 20 5 EDBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000365326761 446149233 /nfs/dbraw/zinc/14/92/33/446149233.db2.gz LHBQKNKRWMAODG-CQSZACIVSA-N 1 0 332.404 1.447 20 5 EDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)c([N+](=O)[O-])c1 ZINC000365497261 446231347 /nfs/dbraw/zinc/23/13/47/446231347.db2.gz WZFLRNHRIXIECA-AWEZNQCLSA-N 1 0 336.348 1.456 20 5 EDBDRO O=C(CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)NC1CCCC1 ZINC000365823724 446358703 /nfs/dbraw/zinc/35/87/03/446358703.db2.gz WCOGUULULFZVIU-UHFFFAOYSA-N 1 0 335.408 1.877 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000370674160 446381028 /nfs/dbraw/zinc/38/10/28/446381028.db2.gz SODRQAFBJQQSMZ-CHWSQXEVSA-N 1 0 339.417 1.442 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000366865893 446388630 /nfs/dbraw/zinc/38/86/30/446388630.db2.gz FCHVDPBIGVLYPE-BZUAXINKSA-N 1 0 336.388 1.965 20 5 EDBDRO COC[C@@]1(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000417953152 446398104 /nfs/dbraw/zinc/39/81/04/446398104.db2.gz YTBQEKFAASZOBJ-INIZCTEOSA-N 1 0 336.392 1.205 20 5 EDBDRO CS(=O)(=O)c1cccc(N2CCC[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000420259746 446437177 /nfs/dbraw/zinc/43/71/77/446437177.db2.gz ZDTGWBWIPGCNML-HNNXBMFYSA-N 1 0 339.417 1.578 20 5 EDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H](CC[NH3+])C(F)F)s1 ZINC000420272925 446443786 /nfs/dbraw/zinc/44/37/86/446443786.db2.gz WYIDFGSPPOZEQK-YFKPBYRVSA-N 1 0 329.350 1.454 20 5 EDBDRO C[C@]1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000366896736 446402553 /nfs/dbraw/zinc/40/25/53/446402553.db2.gz NKVMAECRNIXZAK-QGZVFWFLSA-N 1 0 343.387 1.960 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H](C[NH3+])C1CC1 ZINC000420314430 446480169 /nfs/dbraw/zinc/48/01/69/446480169.db2.gz KXEPHHSJSQPMBP-AWEZNQCLSA-N 1 0 336.392 1.601 20 5 EDBDRO COc1ccc(NC(=O)CCN2CC[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC000420338426 446508116 /nfs/dbraw/zinc/50/81/16/446508116.db2.gz KXMZEHXNKRBNCD-ABAIWWIYSA-N 1 0 334.376 1.226 20 5 EDBDRO C[C@H]1CCOCCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000374989061 446498555 /nfs/dbraw/zinc/49/85/55/446498555.db2.gz PIRGZKBAQGPJEC-JTQLQIEISA-N 1 0 337.332 1.373 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000375016738 446516794 /nfs/dbraw/zinc/51/67/94/446516794.db2.gz FXDODVQTRFZYMU-BBRMVZONSA-N 1 0 332.404 1.949 20 5 EDBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1C[NH2+]C[C@@H]1O ZINC000423682387 446639435 /nfs/dbraw/zinc/63/94/35/446639435.db2.gz VVFDLNQZLYTFSM-KCJUWKMLSA-N 1 0 345.808 1.037 20 5 EDBDRO C[C@@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000420483868 446651607 /nfs/dbraw/zinc/65/16/07/446651607.db2.gz WZNFYGMVHMUZMD-TZMCWYRMSA-N 1 0 341.433 1.384 20 5 EDBDRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000371088707 446621938 /nfs/dbraw/zinc/62/19/38/446621938.db2.gz OQTZXVFVWIUTIH-LRDDRELGSA-N 1 0 332.360 1.405 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N(C)C2(C[NH3+])CCC2)cc1[N+](=O)[O-] ZINC000420453233 446629640 /nfs/dbraw/zinc/62/96/40/446629640.db2.gz XFFNGAXSGUQCBH-UHFFFAOYSA-N 1 0 327.406 1.714 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000420456062 446634275 /nfs/dbraw/zinc/63/42/75/446634275.db2.gz GLGGSJWUEORTDC-CQSZACIVSA-N 1 0 341.433 1.878 20 5 EDBDRO O=C1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C2CC2)N1 ZINC000375275630 446686477 /nfs/dbraw/zinc/68/64/77/446686477.db2.gz DQWDDWUFONJYEH-IUODEOHRSA-N 1 0 334.332 1.650 20 5 EDBDRO Cn1cc([C@H]2[C@@H](CNc3ncc([N+](=O)[O-])cn3)CCC[N@@H+]2C)cn1 ZINC000368181093 446690173 /nfs/dbraw/zinc/69/01/73/446690173.db2.gz QLVYWGLVYMOWNI-BXUZGUMPSA-N 1 0 331.380 1.613 20 5 EDBDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418778344 446695126 /nfs/dbraw/zinc/69/51/26/446695126.db2.gz INMPDEXQXLXWQZ-DGCLKSJQSA-N 1 0 336.392 1.262 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000375320147 446717558 /nfs/dbraw/zinc/71/75/58/446717558.db2.gz QZPMEISEGGXKOM-AWEZNQCLSA-N 1 0 344.375 1.770 20 5 EDBDRO CCN1CCC([N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)CC1 ZINC000371260653 446721783 /nfs/dbraw/zinc/72/17/83/446721783.db2.gz PHNCSTQFJOMKAE-MRXNPFEDSA-N 1 0 337.424 1.101 20 5 EDBDRO COc1ccc(NC(=O)CC[NH2+]C(C)(C)CN(C)C)c([N+](=O)[O-])c1 ZINC000411819910 446680811 /nfs/dbraw/zinc/68/08/11/446680811.db2.gz QZUTXSOKLQGGHZ-UHFFFAOYSA-N 1 0 338.408 1.862 20 5 EDBDRO C[C@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C[NH3+] ZINC000424024155 446826467 /nfs/dbraw/zinc/82/64/67/446826467.db2.gz WAISMDNSJKFUEG-QWHCGFSZSA-N 1 0 343.387 1.837 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000420770358 446809114 /nfs/dbraw/zinc/80/91/14/446809114.db2.gz QDWJGDYVSIPEKN-LLVKDONJSA-N 1 0 347.824 1.963 20 5 EDBDRO CC[C@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000371436618 446855066 /nfs/dbraw/zinc/85/50/66/446855066.db2.gz ANTMTDXXZVVEON-HNNXBMFYSA-N 1 0 345.407 1.828 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1F ZINC000412142551 446878448 /nfs/dbraw/zinc/87/84/48/446878448.db2.gz YBQLGVJEDIJWJK-GHMZBOCLSA-N 1 0 339.367 1.884 20 5 EDBDRO CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H]1CCC[N@@H+]1C ZINC000420993150 446970572 /nfs/dbraw/zinc/97/05/72/446970572.db2.gz AIUKLPCJWGUQAM-HNNXBMFYSA-N 1 0 332.404 1.510 20 5 EDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000419153623 446970021 /nfs/dbraw/zinc/97/00/21/446970021.db2.gz PSRVBDMEDPJVRT-CHWSQXEVSA-N 1 0 348.403 1.373 20 5 EDBDRO CC[C@@H](NC(=O)C(=O)NC1CCC([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000419162746 446979857 /nfs/dbraw/zinc/97/98/57/446979857.db2.gz KPISIIYBKANFOR-SSDMNJCBSA-N 1 0 348.403 1.548 20 5 EDBDRO C[C@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000443455864 447054028 /nfs/dbraw/zinc/05/40/28/447054028.db2.gz RPOZRKNITXTXCV-FZMZJTMJSA-N 1 0 327.406 1.484 20 5 EDBDRO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000368809224 447123301 /nfs/dbraw/zinc/12/33/01/447123301.db2.gz HOGYJOXLJYWOMJ-DETPVDSQSA-N 1 0 331.376 1.002 20 5 EDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000377482024 447154019 /nfs/dbraw/zinc/15/40/19/447154019.db2.gz RKAIGYCHEGEAQS-MIVXPEEVSA-N 1 0 331.372 1.587 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000425500508 447194914 /nfs/dbraw/zinc/19/49/14/447194914.db2.gz MANYUOQQRVEONG-CABCVRRESA-N 1 0 347.375 1.263 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000425512417 447206217 /nfs/dbraw/zinc/20/62/17/447206217.db2.gz DELATIAGFQWGBJ-ZBFHGGJFSA-N 1 0 332.360 1.957 20 5 EDBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000368972201 447235374 /nfs/dbraw/zinc/23/53/74/447235374.db2.gz FOYMBWJZNNCWJV-PEYYIBSZSA-N 1 0 346.387 1.509 20 5 EDBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@@H]1CCOC1 ZINC000494943235 447466626 /nfs/dbraw/zinc/46/66/26/447466626.db2.gz VCHUJZZYFMFSBC-LBPRGKRZSA-N 1 0 335.360 1.861 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000420000747 447537973 /nfs/dbraw/zinc/53/79/73/447537973.db2.gz QKYQFYIKPPYPNB-OAHLLOKOSA-N 1 0 325.365 1.036 20 5 EDBDRO [NH3+]C[C@H]1CCCCN1c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000420162599 447647540 /nfs/dbraw/zinc/64/75/40/447647540.db2.gz DJKUYBBUDFBYIY-CQSZACIVSA-N 1 0 348.403 1.385 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000427609089 447620510 /nfs/dbraw/zinc/62/05/10/447620510.db2.gz KYTHZYDXSGELPC-UHFFFAOYSA-N 1 0 339.311 2.436 20 5 EDBDRO Cn1ccnc1C(=O)c1ccc(NC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000420166543 447650527 /nfs/dbraw/zinc/65/05/27/447650527.db2.gz PTQHWBWNAIWSED-GFCCVEGCSA-N 1 0 329.360 1.723 20 5 EDBDRO CN(CC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000458185243 447739802 /nfs/dbraw/zinc/73/98/02/447739802.db2.gz HAUDDTZEJKCZDN-AWEZNQCLSA-N 1 0 334.420 1.879 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NC2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000422763877 447743426 /nfs/dbraw/zinc/74/34/26/447743426.db2.gz NYMVTRUFVVMHCU-UHFFFAOYSA-N 1 0 334.376 1.019 20 5 EDBDRO COC(=O)COc1ccc(C[N@H+](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000530500141 447900880 /nfs/dbraw/zinc/90/08/80/447900880.db2.gz WTQIPKNXVRMXRA-UHFFFAOYSA-N 1 0 338.360 1.757 20 5 EDBDRO C[C@H]1CN(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000524162328 447918289 /nfs/dbraw/zinc/91/82/89/447918289.db2.gz SSUQDMZWNADEER-NSHDSACASA-N 1 0 332.360 1.527 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000525211311 447977965 /nfs/dbraw/zinc/97/79/65/447977965.db2.gz HNUBQAAHPAYKLG-CQSZACIVSA-N 1 0 335.404 1.946 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2CCN(C)CC2)c1 ZINC000525752900 448021928 /nfs/dbraw/zinc/02/19/28/448021928.db2.gz CDXAOJSEGHGFOR-UHFFFAOYSA-N 1 0 334.420 1.661 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000591019551 448234717 /nfs/dbraw/zinc/23/47/17/448234717.db2.gz BMDWUQTXQXZBSW-LBPRGKRZSA-N 1 0 348.403 1.688 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCC[NH2+]C(C)C ZINC000572120270 448294107 /nfs/dbraw/zinc/29/41/07/448294107.db2.gz OEVYGZMXFIZKQL-UHFFFAOYSA-N 1 0 329.422 1.878 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c1 ZINC000591263758 448300978 /nfs/dbraw/zinc/30/09/78/448300978.db2.gz AWHIROSDEURKMG-LBPRGKRZSA-N 1 0 335.360 1.292 20 5 EDBDRO CCc1ccc(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000515885587 448362582 /nfs/dbraw/zinc/36/25/82/448362582.db2.gz XWRBOMIFNPQFIP-QGZVFWFLSA-N 1 0 333.388 1.344 20 5 EDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c(Br)c1 ZINC000591439535 448363515 /nfs/dbraw/zinc/36/35/15/448363515.db2.gz WDRPSJZPNNAQJZ-GZMMTYOYSA-N 1 0 327.182 1.941 20 5 EDBDRO O=C(CN1CC[C@H]2CC[NH2+][C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000591448141 448367357 /nfs/dbraw/zinc/36/73/57/448367357.db2.gz DIROKCCRPKYKDW-QMTHXVAHSA-N 1 0 338.795 1.871 20 5 EDBDRO CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@@H+]1C ZINC000583060325 448412185 /nfs/dbraw/zinc/41/21/85/448412185.db2.gz IWRLPTMCIHVCHG-AWEZNQCLSA-N 1 0 349.387 1.778 20 5 EDBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000516502066 448429484 /nfs/dbraw/zinc/42/94/84/448429484.db2.gz NFNPZVZMYOWGSW-RYUDHWBXSA-N 1 0 333.344 1.680 20 5 EDBDRO CC(C)(C(=O)Nc1cnc2c(c1)C[NH2+]CC2)n1cc([N+](=O)[O-])cn1 ZINC000591681310 448449249 /nfs/dbraw/zinc/44/92/49/448449249.db2.gz DPNSBTNZQGSFNW-UHFFFAOYSA-N 1 0 330.348 1.206 20 5 EDBDRO CNc1nccc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000566437121 448471256 /nfs/dbraw/zinc/47/12/56/448471256.db2.gz XAWBSONOPWEOAE-GFCCVEGCSA-N 1 0 333.392 1.732 20 5 EDBDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000591749485 448479763 /nfs/dbraw/zinc/47/97/63/448479763.db2.gz ZNLHRAYWGSPWGA-WWGRRREGSA-N 1 0 335.404 1.549 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2cccc3[nH]ccc32)c1 ZINC000591766342 448485827 /nfs/dbraw/zinc/48/58/27/448485827.db2.gz ZIWWMHCJCFWLSU-AWEZNQCLSA-N 1 0 329.360 1.466 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)c1C ZINC000572951453 448503367 /nfs/dbraw/zinc/50/33/67/448503367.db2.gz UXMZAKSWZJJAPL-UHFFFAOYSA-N 1 0 339.417 1.728 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(CC[NH3+])CC1 ZINC000573008933 448521909 /nfs/dbraw/zinc/52/19/09/448521909.db2.gz IMRIGCPOQBJAJJ-UHFFFAOYSA-N 1 0 341.433 1.907 20 5 EDBDRO Cc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c(=O)n1C ZINC000517231452 448558218 /nfs/dbraw/zinc/55/82/18/448558218.db2.gz IFJMBKCDJLLVOY-CQSZACIVSA-N 1 0 347.371 1.131 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000578429834 448541943 /nfs/dbraw/zinc/54/19/43/448541943.db2.gz PBVXMCZDEPCLFF-NSHDSACASA-N 1 0 328.394 1.093 20 5 EDBDRO O=C([C@H]1[NH2+]CCc2ccccc21)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000584720240 448608354 /nfs/dbraw/zinc/60/83/54/448608354.db2.gz CQGHWDJDIIUYRO-KRWDZBQOSA-N 1 0 338.367 1.762 20 5 EDBDRO O=C([C@@H]1[NH2+]CCc2ccccc21)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000584720241 448608473 /nfs/dbraw/zinc/60/84/73/448608473.db2.gz CQGHWDJDIIUYRO-QGZVFWFLSA-N 1 0 338.367 1.762 20 5 EDBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000517459973 448584119 /nfs/dbraw/zinc/58/41/19/448584119.db2.gz CZJXQVPJMXQPGI-UHFFFAOYSA-N 1 0 347.371 1.928 20 5 EDBDRO CCc1ccc(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000592366948 448808113 /nfs/dbraw/zinc/80/81/13/448808113.db2.gz GQUDCBHDKGTUSU-GFCCVEGCSA-N 1 0 327.406 1.578 20 5 EDBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000592381454 448813549 /nfs/dbraw/zinc/81/35/49/448813549.db2.gz OCWMAYSVFPGCLX-MWLCHTKSSA-N 1 0 329.353 1.106 20 5 EDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000592295441 448776715 /nfs/dbraw/zinc/77/67/15/448776715.db2.gz VOFIBVQVYTZDJD-JTQLQIEISA-N 1 0 335.360 1.565 20 5 EDBDRO CC[C@@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[C@@H]1[NH3+] ZINC000592332855 448795712 /nfs/dbraw/zinc/79/57/12/448795712.db2.gz PLYKUIRBPFSASU-OLZOCXBDSA-N 1 0 343.387 1.980 20 5 EDBDRO CCC[C@@H](O)[C@@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592431621 448834242 /nfs/dbraw/zinc/83/42/42/448834242.db2.gz PZJNPGXJULIVBD-TZMCWYRMSA-N 1 0 325.365 1.035 20 5 EDBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)N(C)C ZINC000568384979 448865794 /nfs/dbraw/zinc/86/57/94/448865794.db2.gz BNBHVGNJLNFSLV-XKQJLSEDSA-N 1 0 347.419 1.433 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000519915394 448863601 /nfs/dbraw/zinc/86/36/01/448863601.db2.gz SDZRZTLOHSGONG-UHFFFAOYSA-N 1 0 346.387 1.804 20 5 EDBDRO [NH3+]CC12CCC(CC1)CN2C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000579848000 448896338 /nfs/dbraw/zinc/89/63/38/448896338.db2.gz YLSNALVISQGOIT-UHFFFAOYSA-N 1 0 347.371 1.710 20 5 EDBDRO Cc1c(CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)cccc1[N+](=O)[O-] ZINC000592564510 448902696 /nfs/dbraw/zinc/90/26/96/448902696.db2.gz VCBPNTHXXBXNSM-GFCCVEGCSA-N 1 0 343.387 1.866 20 5 EDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CO)C[NH+]2CCCC2)c1 ZINC000588867587 448942757 /nfs/dbraw/zinc/94/27/57/448942757.db2.gz ZIYHZUIHOZGOKN-NSHDSACASA-N 1 0 339.417 1.503 20 5 EDBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588863581 448943662 /nfs/dbraw/zinc/94/36/62/448943662.db2.gz QLVYUKZZXGDLHN-MNOVXSKESA-N 1 0 339.779 1.529 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000593567704 449077136 /nfs/dbraw/zinc/07/71/36/449077136.db2.gz QZNHOXLPPGNVFV-YPMHNXCESA-N 1 0 340.405 1.095 20 5 EDBDRO C[C@@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000593574632 449082179 /nfs/dbraw/zinc/08/21/79/449082179.db2.gz DYAUMGSVDHNFSA-LBPRGKRZSA-N 1 0 342.421 1.533 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000590012330 449096216 /nfs/dbraw/zinc/09/62/16/449096216.db2.gz RDVYURBWYKIDIO-HZMBPMFUSA-N 1 0 338.795 1.823 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000590053951 449101960 /nfs/dbraw/zinc/10/19/60/449101960.db2.gz YUKUFCZLGWJFGR-KRWDZBQOSA-N 1 0 333.388 1.909 20 5 EDBDRO C[N@@H+]1CC[C@]2(CCN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000590053954 449102042 /nfs/dbraw/zinc/10/20/42/449102042.db2.gz ZEWYDPBYESMYLV-KRWDZBQOSA-N 1 0 333.388 1.894 20 5 EDBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593026303 449107090 /nfs/dbraw/zinc/10/70/90/449107090.db2.gz YWHQEFJEGSRHCI-UKRRQHHQSA-N 1 0 338.360 1.665 20 5 EDBDRO C[C@H](C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000599938073 449116856 /nfs/dbraw/zinc/11/68/56/449116856.db2.gz LPZKQLFRYTWTAS-VBNZEHGJSA-N 1 0 333.388 1.366 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)CC1 ZINC000600030339 449153594 /nfs/dbraw/zinc/15/35/94/449153594.db2.gz SJCZYGHVLZFYIF-UHFFFAOYSA-N 1 0 347.350 1.744 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000590442344 449163929 /nfs/dbraw/zinc/16/39/29/449163929.db2.gz FMOSZNOYPALVDQ-CJNGLKHVSA-N 1 0 341.371 1.557 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)[C@H]2C1 ZINC000590443442 449164497 /nfs/dbraw/zinc/16/44/97/449164497.db2.gz ISMQITGYKGAHHL-ABAIWWIYSA-N 1 0 326.356 1.919 20 5 EDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC000600000197 449144327 /nfs/dbraw/zinc/14/43/27/449144327.db2.gz REPWFPNPWQJNKF-HALDLXJZSA-N 1 0 328.372 1.568 20 5 EDBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000590390334 449144672 /nfs/dbraw/zinc/14/46/72/449144672.db2.gz YCSWIUSWEJVRPE-LBPRGKRZSA-N 1 0 334.376 1.315 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000597991673 449177129 /nfs/dbraw/zinc/17/71/29/449177129.db2.gz GSPBBFWSHISUKH-PWSUYJOCSA-N 1 0 340.428 1.284 20 5 EDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000590541631 449182007 /nfs/dbraw/zinc/18/20/07/449182007.db2.gz HAXNPLHHPSWWOI-CYBMUJFWSA-N 1 0 348.403 1.113 20 5 EDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000590752804 449272726 /nfs/dbraw/zinc/27/27/26/449272726.db2.gz ZTFMRIWJFMDIER-OLZOCXBDSA-N 1 0 338.360 1.914 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cnnn1C1CC[NH2+]CC1 ZINC000595920182 449252861 /nfs/dbraw/zinc/25/28/61/449252861.db2.gz OCBFRGPWADCBID-UHFFFAOYSA-N 1 0 344.375 1.083 20 5 EDBDRO COc1ccc(CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595932114 449261895 /nfs/dbraw/zinc/26/18/95/449261895.db2.gz LPLMUAVNDNHUIZ-CYBMUJFWSA-N 1 0 347.293 1.762 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000593904148 449274628 /nfs/dbraw/zinc/27/46/28/449274628.db2.gz NDKXSAJCDHSQJF-OAHLLOKOSA-N 1 0 343.387 1.630 20 5 EDBDRO [NH3+]C1(CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCCC1 ZINC000595941402 449269001 /nfs/dbraw/zinc/26/90/01/449269001.db2.gz OIQCLBFLVAUWRV-UHFFFAOYSA-N 1 0 330.348 1.177 20 5 EDBDRO C[C@@H]1CN(CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000593443465 449285944 /nfs/dbraw/zinc/28/59/44/449285944.db2.gz IVQAKJWTDOIQKB-LLVKDONJSA-N 1 0 325.340 1.113 20 5 EDBDRO COCCC[NH+]1CCC(Nc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000611525878 449321477 /nfs/dbraw/zinc/32/14/77/449321477.db2.gz YCYXFCKIIBHESL-UHFFFAOYSA-N 1 0 338.408 1.582 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCC1(C[NH3+])CC1 ZINC000593913649 449281973 /nfs/dbraw/zinc/28/19/73/449281973.db2.gz BNROBXBZUDRQOR-NSHDSACASA-N 1 0 338.412 1.072 20 5 EDBDRO CC(C)[NH+](CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(C)C ZINC000593556066 449347087 /nfs/dbraw/zinc/34/70/87/449347087.db2.gz JBVJRCOOGXZRRF-UHFFFAOYSA-N 1 0 344.437 1.777 20 5 EDBDRO CCCNC(=O)C[NH+]1CCC(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596076620 449351392 /nfs/dbraw/zinc/35/13/92/449351392.db2.gz NHIUIDHCXYYJCK-UHFFFAOYSA-N 1 0 337.380 1.098 20 5 EDBDRO Cc1ccc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000598454659 449404102 /nfs/dbraw/zinc/40/41/02/449404102.db2.gz XRDTYOKVAPRABJ-OAHLLOKOSA-N 1 0 333.388 1.574 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000594241705 449406874 /nfs/dbraw/zinc/40/68/74/449406874.db2.gz GCDQPEHUNYLLLU-KLPPZKSPSA-N 1 0 346.391 1.611 20 5 EDBDRO CC(C)(C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)n1cc([N+](=O)[O-])cn1 ZINC000594195134 449387220 /nfs/dbraw/zinc/38/72/20/449387220.db2.gz CFMUTZKDLULGAQ-ZIAGYGMSSA-N 1 0 335.408 1.660 20 5 EDBDRO C[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000611711044 449390630 /nfs/dbraw/zinc/39/06/30/449390630.db2.gz RGOVANHBGZKPIM-LBPRGKRZSA-N 1 0 330.392 1.586 20 5 EDBDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000598536812 449452921 /nfs/dbraw/zinc/45/29/21/449452921.db2.gz XZRFHAYFUFBRLL-LBPRGKRZSA-N 1 0 337.376 1.903 20 5 EDBDRO CSc1cccc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000594359022 449466400 /nfs/dbraw/zinc/46/64/00/449466400.db2.gz FOJLWXHMDVPINW-QWRGUYRKSA-N 1 0 325.390 1.064 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000596309541 449468160 /nfs/dbraw/zinc/46/81/60/449468160.db2.gz UPKJVZGIQSBIOY-NSHDSACASA-N 1 0 331.376 2.528 20 5 EDBDRO CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000600662254 449478920 /nfs/dbraw/zinc/47/89/20/449478920.db2.gz IIAPZWWPCBPKBB-AEGPPILISA-N 1 0 336.392 1.637 20 5 EDBDRO COc1cc(CNCC2([NH3+])CCOCC2)c([N+](=O)[O-])cc1OC ZINC000600678980 449487029 /nfs/dbraw/zinc/48/70/29/449487029.db2.gz WDNLJBOMEWNTHE-UHFFFAOYSA-N 1 0 325.365 1.210 20 5 EDBDRO O=C(CC[C@H]1CCC[NH2+]C1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000598665337 449528209 /nfs/dbraw/zinc/52/82/09/449528209.db2.gz MAKNFJLAXMCOTJ-KGLIPLIRSA-N 1 0 347.419 1.782 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1CNCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000600778219 449544519 /nfs/dbraw/zinc/54/45/19/449544519.db2.gz WURQSCGSLGZSHA-UHFFFAOYSA-N 1 0 333.348 1.238 20 5 EDBDRO O=[N+]([O-])c1cnccc1NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000596422793 449495813 /nfs/dbraw/zinc/49/58/13/449495813.db2.gz GKPYOZQVVZUJRE-HNNXBMFYSA-N 1 0 328.372 1.590 20 5 EDBDRO CNS(=O)(=O)c1ccc(NCC2([NH2+]C)CCC2)c([N+](=O)[O-])c1 ZINC000598632271 449509000 /nfs/dbraw/zinc/50/90/00/449509000.db2.gz CRVVAOMXBZYDMA-UHFFFAOYSA-N 1 0 328.394 1.057 20 5 EDBDRO COc1nc(C)cc(C)c1C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000598650557 449519353 /nfs/dbraw/zinc/51/93/53/449519353.db2.gz UKBIWVOQOTYIAL-CQSZACIVSA-N 1 0 349.391 1.305 20 5 EDBDRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)CCc1ccccc1[N+](=O)[O-])C2 ZINC000598725298 449565346 /nfs/dbraw/zinc/56/53/46/449565346.db2.gz NEICSINIFZRICK-HIFRSBDPSA-N 1 0 339.417 1.280 20 5 EDBDRO CN(CC1C[NH+](C)C1)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000596600291 449568603 /nfs/dbraw/zinc/56/86/03/449568603.db2.gz DOXWEBMEHFYYNS-UHFFFAOYSA-N 1 0 345.403 1.822 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598713785 449558522 /nfs/dbraw/zinc/55/85/22/449558522.db2.gz DCENKEHNADLDAO-NWDGAFQWSA-N 1 0 327.406 1.617 20 5 EDBDRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000598720123 449562026 /nfs/dbraw/zinc/56/20/26/449562026.db2.gz MLFFPALZJJLYDA-RNCFNFMXSA-N 1 0 345.808 1.750 20 5 EDBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000594624789 449598810 /nfs/dbraw/zinc/59/88/10/449598810.db2.gz BWONBVASYPMDBF-NOZJJQNGSA-N 1 0 330.344 1.800 20 5 EDBDRO C[C@]12COC[C@@H]1C[N@@H+]([C@@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000594659536 449613171 /nfs/dbraw/zinc/61/31/71/449613171.db2.gz DMOAHMQYLZPGBW-KHIZAZIESA-N 1 0 345.355 1.195 20 5 EDBDRO CCNc1ccc(C(=O)N2CCN([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000598872189 449626506 /nfs/dbraw/zinc/62/65/06/449626506.db2.gz WCDWLINPWSOQRW-CQSZACIVSA-N 1 0 348.403 1.573 20 5 EDBDRO C[NH2+]CCOCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000602565654 449676744 /nfs/dbraw/zinc/67/67/44/449676744.db2.gz QWJYOVGWFMQTEP-UHFFFAOYSA-N 1 0 346.181 1.323 20 5 EDBDRO C[N@@H+]1CC[C@@](O)(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602612767 449705043 /nfs/dbraw/zinc/70/50/43/449705043.db2.gz QOGRUTYUBZJVSD-CYBMUJFWSA-N 1 0 333.310 1.770 20 5 EDBDRO CN1CCC[N@H+](CCCNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000612442123 449705762 /nfs/dbraw/zinc/70/57/62/449705762.db2.gz KRAVGWNMGPSZRJ-UHFFFAOYSA-N 1 0 344.419 1.978 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599106865 449738954 /nfs/dbraw/zinc/73/89/54/449738954.db2.gz JVKQHMGRZXSINO-LLVKDONJSA-N 1 0 345.808 1.811 20 5 EDBDRO O=[N+]([O-])c1cc2c(ncnc2NC2CC(N3CCOCC3)C2)s1 ZINC000599093855 449728289 /nfs/dbraw/zinc/72/82/89/449728289.db2.gz ASFPCKKJHAZEIK-UHFFFAOYSA-N 1 0 335.389 1.875 20 5 EDBDRO COC(=O)Cc1ccc(NC2CC(N3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000599095904 449729064 /nfs/dbraw/zinc/72/90/64/449729064.db2.gz XVNHKSVIKWEXJZ-UHFFFAOYSA-N 1 0 349.387 1.585 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[C@H](C)[NH+](C)C ZINC000594822667 449732359 /nfs/dbraw/zinc/73/23/59/449732359.db2.gz YEVGCGNDIOJOJZ-JTQLQIEISA-N 1 0 331.394 1.222 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c1C ZINC000599102987 449734631 /nfs/dbraw/zinc/73/46/31/449734631.db2.gz HTBXOPJGXAPKJG-JQWIXIFHSA-N 1 0 327.406 1.630 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000599103508 449735504 /nfs/dbraw/zinc/73/55/04/449735504.db2.gz QSXKRCLYSNYJLP-AWEZNQCLSA-N 1 0 341.433 1.830 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000599005457 449693128 /nfs/dbraw/zinc/69/31/28/449693128.db2.gz FKQQHIPDNZCMIO-KRWDZBQOSA-N 1 0 342.399 1.980 20 5 EDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000602597057 449695058 /nfs/dbraw/zinc/69/50/58/449695058.db2.gz TWSDVZJPPIDYAH-SCZZXKLOSA-N 1 0 342.193 1.848 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000602763493 449789124 /nfs/dbraw/zinc/78/91/24/449789124.db2.gz OYRFIUOXIAXQSR-HNNXBMFYSA-N 1 0 337.424 1.286 20 5 EDBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601328775 449836517 /nfs/dbraw/zinc/83/65/17/449836517.db2.gz YVMXRGFXXOUZNQ-LLVKDONJSA-N 1 0 347.462 1.975 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000602826910 449838866 /nfs/dbraw/zinc/83/88/66/449838866.db2.gz ORRQNUOFIUGYDE-KRWDZBQOSA-N 1 0 330.388 1.913 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000595047270 449849263 /nfs/dbraw/zinc/84/92/63/449849263.db2.gz QKALTGUZIJLQOQ-GHMZBOCLSA-N 1 0 331.376 1.940 20 5 EDBDRO COCc1n[nH]c(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000595064741 449852182 /nfs/dbraw/zinc/85/21/82/449852182.db2.gz AWJDWDXXDATKSY-CYBMUJFWSA-N 1 0 331.376 1.970 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000595192463 449935269 /nfs/dbraw/zinc/93/52/69/449935269.db2.gz IHMZTSNBBRXVJT-GFCCVEGCSA-N 1 0 334.376 1.442 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595258802 449981963 /nfs/dbraw/zinc/98/19/63/449981963.db2.gz VAJCSBPQWJOIOY-TZMCWYRMSA-N 1 0 337.424 1.856 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(c3cccc(F)c3)CC2)c1 ZINC000603016354 450010594 /nfs/dbraw/zinc/01/05/94/450010594.db2.gz RMIICOSHQWGUBF-MRXNPFEDSA-N 1 0 349.366 1.114 20 5 EDBDRO CN(CC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000601555237 450070720 /nfs/dbraw/zinc/07/07/20/450070720.db2.gz XLGIODAEGIYLIZ-ZIAGYGMSSA-N 1 0 332.404 1.632 20 5 EDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609399576 450023309 /nfs/dbraw/zinc/02/33/09/450023309.db2.gz ICQSEIXOQWWGHZ-HNNXBMFYSA-N 1 0 347.419 1.790 20 5 EDBDRO O=C(N[C@H](CO)C[NH+]1CCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000603053858 450038020 /nfs/dbraw/zinc/03/80/20/450038020.db2.gz UBODAGPNHIWPLK-HNNXBMFYSA-N 1 0 347.415 1.589 20 5 EDBDRO Cc1sc(C(=O)NCCCN2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000609624106 450073659 /nfs/dbraw/zinc/07/36/59/450073659.db2.gz YMYMJHNHNLTZFN-UHFFFAOYSA-N 1 0 340.449 1.722 20 5 EDBDRO C[C@H]1CN(C)CCN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000609560852 450050922 /nfs/dbraw/zinc/05/09/22/450050922.db2.gz KPPRVMIFVAGLDF-LBPRGKRZSA-N 1 0 343.387 1.700 20 5 EDBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000599626435 450113331 /nfs/dbraw/zinc/11/33/31/450113331.db2.gz VWPYAWKRRVKDGX-OHTBPHCPSA-N 1 0 342.417 1.770 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000599627296 450113729 /nfs/dbraw/zinc/11/37/29/450113729.db2.gz WVRNLLYLGKGQRJ-YPIXOSSWSA-N 1 0 337.376 1.943 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000599635937 450118515 /nfs/dbraw/zinc/11/85/15/450118515.db2.gz MHZVLMILVOVXSC-JLJPHGGASA-N 1 0 336.388 1.429 20 5 EDBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCC12CCC[NH+]1CCC2 ZINC000597587032 450130231 /nfs/dbraw/zinc/13/02/31/450130231.db2.gz MSUAOCLCCSZZTB-UHFFFAOYSA-N 1 0 346.387 1.069 20 5 EDBDRO COc1cc(Cn2cc(C[C@@H]3CCC[NH2+]C3)nn2)c([N+](=O)[O-])cc1F ZINC000603236328 450166168 /nfs/dbraw/zinc/16/61/68/450166168.db2.gz HQGRTAKCNSUWFD-NSHDSACASA-N 1 0 349.366 1.924 20 5 EDBDRO C[NH+](C)CC1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000597708397 450211873 /nfs/dbraw/zinc/21/18/73/450211873.db2.gz KVRLDXIPIJQRNQ-UHFFFAOYSA-N 1 0 332.404 1.829 20 5 EDBDRO Cc1noc(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)c1[N+](=O)[O-] ZINC000595553830 450228533 /nfs/dbraw/zinc/22/85/33/450228533.db2.gz OJNLQFPLIWVFJP-OAHLLOKOSA-N 1 0 339.392 1.939 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c(C)cc1[N+](=O)[O-] ZINC000603312466 450237477 /nfs/dbraw/zinc/23/74/77/450237477.db2.gz FGEHYEONOZPHIZ-CHWSQXEVSA-N 1 0 341.433 1.973 20 5 EDBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000610576992 450265839 /nfs/dbraw/zinc/26/58/39/450265839.db2.gz PZYPQWYRNVWBGA-LBPRGKRZSA-N 1 0 327.406 1.748 20 5 EDBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000619786079 450334920 /nfs/dbraw/zinc/33/49/20/450334920.db2.gz WYCFNTXOBNCMKB-UHFFFAOYSA-N 1 0 343.387 1.974 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000619581885 450512040 /nfs/dbraw/zinc/51/20/40/450512040.db2.gz UFWLNXBUBRIFPR-UHFFFAOYSA-N 1 0 338.327 1.991 20 5 EDBDRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000524790148 486871782 /nfs/dbraw/zinc/87/17/82/486871782.db2.gz HYYOXUKOTLINBI-JTQLQIEISA-N 1 0 347.824 1.868 20 5 EDBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000576099046 485967857 /nfs/dbraw/zinc/96/78/57/485967857.db2.gz RIANWEJHMFMVGT-UHFFFAOYSA-N 1 0 336.392 1.888 20 5 EDBDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000347661165 534448407 /nfs/dbraw/zinc/44/84/07/534448407.db2.gz BVIUBGBHJGZWJR-ZDUSSCGKSA-N 1 0 348.403 1.432 20 5 EDBDRO CC(C)(C)CC[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000187738317 527669437 /nfs/dbraw/zinc/66/94/37/527669437.db2.gz FHTZQVHEJMOKNY-UHFFFAOYSA-N 1 0 329.422 1.899 20 5 EDBDRO CC(C)(O)C[NH+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)CC1 ZINC000332033362 535307703 /nfs/dbraw/zinc/30/77/03/535307703.db2.gz UAOZSNUTSQGVGT-UHFFFAOYSA-N 1 0 346.387 1.605 20 5 EDBDRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccccc3[N+](=O)[O-])CC2)C1=O ZINC000332263374 536478474 /nfs/dbraw/zinc/47/84/74/536478474.db2.gz CSWVBITXBXDFIB-HNNXBMFYSA-N 1 0 346.387 1.020 20 5 EDBDRO COc1ccc(CNC(=O)NCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000339386514 536880842 /nfs/dbraw/zinc/88/08/42/536880842.db2.gz XTUUUBRZIQAAEG-UHFFFAOYSA-N 1 0 336.392 1.889 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353181246 536955089 /nfs/dbraw/zinc/95/50/89/536955089.db2.gz MGMFLVUDAPLKGK-LSDHHAIUSA-N 1 0 333.388 1.855 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000261956511 536957189 /nfs/dbraw/zinc/95/71/89/536957189.db2.gz NZIPFYQFWNSSBG-JTQLQIEISA-N 1 0 329.378 1.024 20 5 EDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000725899032 578302954 /nfs/dbraw/zinc/30/29/54/578302954.db2.gz ZJEHXBCGVJXYIT-QWHCGFSZSA-N 1 0 344.371 1.669 20 5 EDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000729984290 578605990 /nfs/dbraw/zinc/60/59/90/578605990.db2.gz YYCPTLGEEGZSMV-PPYMECGQSA-N 1 0 333.388 1.835 20 5 EDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000733167956 578745684 /nfs/dbraw/zinc/74/56/84/578745684.db2.gz BFTWQESIIOUEAM-AWEZNQCLSA-N 1 0 348.403 1.255 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000738142644 579163574 /nfs/dbraw/zinc/16/35/74/579163574.db2.gz GFLWWSXNHPROKR-LBPRGKRZSA-N 1 0 332.360 1.174 20 5 EDBDRO C[NH+](C)Cc1ccc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cc1F ZINC000747916491 579663186 /nfs/dbraw/zinc/66/31/86/579663186.db2.gz SHCFVQRDTDZJCD-UHFFFAOYSA-N 1 0 348.334 1.596 20 5 EDBDRO C[C@@H]1CN(CCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000749664495 579733857 /nfs/dbraw/zinc/73/38/57/579733857.db2.gz RKMXIMVCLTVTTF-CPUCHLNUSA-N 1 0 337.420 1.717 20 5 EDBDRO Cc1nn(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749954700 579745200 /nfs/dbraw/zinc/74/52/00/579745200.db2.gz MUXGRHQWGDHKNT-LBPRGKRZSA-N 1 0 347.375 1.690 20 5 EDBDRO COC(=O)C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000754513597 579904943 /nfs/dbraw/zinc/90/49/43/579904943.db2.gz GKGHFHYLQNHSCT-AWEZNQCLSA-N 1 0 335.360 1.773 20 5 EDBDRO Cn1cc(C[C@@H]2CC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000776591274 580423032 /nfs/dbraw/zinc/42/30/32/580423032.db2.gz IRSMELSFZHNFTK-GUYCJALGSA-N 1 0 330.388 1.926 20 5 EDBDRO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781968207 580561993 /nfs/dbraw/zinc/56/19/93/580561993.db2.gz ANAYMYMCJVMUSP-LRDDRELGSA-N 1 0 348.403 1.934 20 5 EDBDRO O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCCC[NH+]1CCCC1 ZINC000787983620 580712410 /nfs/dbraw/zinc/71/24/10/580712410.db2.gz VGUYZKLFOKMCSK-UHFFFAOYSA-N 1 0 349.343 1.532 20 5 EDBDRO CCNS(=O)(=O)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788588738 580725207 /nfs/dbraw/zinc/72/52/07/580725207.db2.gz OAYQSUZGDOCIFS-CQSZACIVSA-N 1 0 341.433 1.846 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000793936166 580861103 /nfs/dbraw/zinc/86/11/03/580861103.db2.gz LGBRFZYSSILBON-KGLIPLIRSA-N 1 0 333.388 1.774 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000799028827 581014556 /nfs/dbraw/zinc/01/45/56/581014556.db2.gz ODLKEYRXJBZCGJ-UHFFFAOYSA-N 1 0 335.408 1.759 20 5 EDBDRO Nc1nccc([C@@H]2CCC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000801551087 581079483 /nfs/dbraw/zinc/07/94/83/581079483.db2.gz MQWYFWOZHCWICJ-CJNGLKHVSA-N 1 0 343.387 1.880 20 5 EDBDRO C[C@@H]1C[C@@H](N2CCOCC2)CN1c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804809196 590776626 /nfs/dbraw/zinc/77/66/26/590776626.db2.gz RGNCMOBVVGYQNV-VXGBXAGGSA-N 1 0 336.348 1.802 20 5 EDBDRO O=[N+]([O-])c1c2nonc2ccc1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000894434328 591311777 /nfs/dbraw/zinc/31/17/77/591311777.db2.gz AAWALFFVWHQTBZ-GFCCVEGCSA-N 1 0 347.375 1.822 20 5 EDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841209572 591345641 /nfs/dbraw/zinc/34/56/41/591345641.db2.gz NVQSILNJCMWYIS-DTWKUNHWSA-N 1 0 340.767 1.396 20 5 EDBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC([NH+]2CCCC2)C1 ZINC000898612568 591439209 /nfs/dbraw/zinc/43/92/09/591439209.db2.gz JITUBSQCJSFCDE-UHFFFAOYSA-N 1 0 341.371 1.701 20 5 EDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896508964 591479569 /nfs/dbraw/zinc/47/95/69/591479569.db2.gz NHLVXMVRAPCHCA-QGZVFWFLSA-N 1 0 347.415 1.754 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896534382 591495145 /nfs/dbraw/zinc/49/51/45/591495145.db2.gz UMHLHIOSKJSMMN-ZTODGRRHSA-N 1 0 346.431 1.749 20 5 EDBDRO COc1c(O)ccc(CN2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c1[N+](=O)[O-] ZINC000894953667 591498510 /nfs/dbraw/zinc/49/85/10/591498510.db2.gz HDOGLCLPPQDBSE-VXGBXAGGSA-N 1 0 339.392 1.196 20 5 EDBDRO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H]1C[N@H+](C)CCN1C ZINC000896568868 591530437 /nfs/dbraw/zinc/53/04/37/591530437.db2.gz BNADNJOXYYFSLQ-BXUZGUMPSA-N 1 0 346.387 1.705 20 5 EDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000896574093 591534039 /nfs/dbraw/zinc/53/40/39/591534039.db2.gz XDZUQVYACQXSOI-HZMBPMFUSA-N 1 0 340.811 1.612 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000898849632 591555082 /nfs/dbraw/zinc/55/50/82/591555082.db2.gz UGICWXBDFKDKAQ-CABCVRRESA-N 1 0 333.388 1.963 20 5 EDBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000897219017 591772942 /nfs/dbraw/zinc/77/29/42/591772942.db2.gz ICHXCRBPCSJDEL-HOTGVXAUSA-N 1 0 333.388 1.833 20 5 EDBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000898068772 591775890 /nfs/dbraw/zinc/77/58/90/591775890.db2.gz RCPLSALNECUTKJ-VYDXJSESSA-N 1 0 335.404 1.517 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000897222533 591776001 /nfs/dbraw/zinc/77/60/01/591776001.db2.gz VOKKBXRMNWUTDL-KBPBESRZSA-N 1 0 349.387 1.417 20 5 EDBDRO O=c1c(Br)cn(C[C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000899628740 591879120 /nfs/dbraw/zinc/87/91/20/591879120.db2.gz DJPKRJKZENFUHN-VIFPVBQESA-N 1 0 330.182 1.909 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccnn1CC[NH+](C)C ZINC000900157963 591920171 /nfs/dbraw/zinc/92/01/71/591920171.db2.gz QQIXMSSFTJSOMW-UHFFFAOYSA-N 1 0 331.376 1.625 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(=O)n1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000902339479 591976351 /nfs/dbraw/zinc/97/63/51/591976351.db2.gz GIKAKUAMNOJOOA-UHFFFAOYSA-N 1 0 336.392 1.054 20 5 EDBDRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000904471386 592268416 /nfs/dbraw/zinc/26/84/16/592268416.db2.gz ALHIIBVQAKFXDA-SECBINFHSA-N 1 0 328.756 1.700 20 5 EDBDRO CN(C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)C1CC[NH+](C)CC1 ZINC000905027159 592385766 /nfs/dbraw/zinc/38/57/66/592385766.db2.gz DPZJHIDQRXQKNF-UHFFFAOYSA-N 1 0 349.387 1.922 20 5 EDBDRO C[C@H](NCc1cnnn1[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000903988008 592406082 /nfs/dbraw/zinc/40/60/82/592406082.db2.gz MLPFYMWFZXICNE-WFASDCNBSA-N 1 0 330.392 1.962 20 5 EDBDRO C[C@@H]1C[C@]2(CC[C@H](C[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)O2)CO1 ZINC000905484162 592539523 /nfs/dbraw/zinc/53/95/23/592539523.db2.gz GYTMGPNFIKPSAX-VDNDLQMASA-N 1 0 336.388 1.944 20 5 EDBDRO Cc1ncccc1CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000905700670 592614914 /nfs/dbraw/zinc/61/49/14/592614914.db2.gz VKAOQLIZTJATEE-HNNXBMFYSA-N 1 0 331.372 1.870 20 5 EDBDRO Cc1c(Br)c(=O)n(C[C@@H]2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000905732753 592631257 /nfs/dbraw/zinc/63/12/57/592631257.db2.gz AYYYQGBVPWROSI-BDAKNGLRSA-N 1 0 330.182 1.955 20 5 EDBDRO O=C(c1ccc2c(c1[N+](=O)[O-])OCCCO2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000906594111 592860582 /nfs/dbraw/zinc/86/05/82/592860582.db2.gz HJCHPXLYSKLQMM-GFCCVEGCSA-N 1 0 347.371 1.676 20 5 EDBDRO Cc1[nH]nc(C(=O)N2CC3(CCN3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000910784641 592891732 /nfs/dbraw/zinc/89/17/32/592891732.db2.gz FVTFAILIBFINTO-UHFFFAOYSA-N 1 0 341.371 1.727 20 5 EDBDRO CC[C@H]1C[N@H+](C)CCN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000840094151 593170788 /nfs/dbraw/zinc/17/07/88/593170788.db2.gz RFSHLEZIBUBQRM-AWEZNQCLSA-N 1 0 330.392 1.837 20 5 EDBDRO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1CN1CC[NH+](C2CC2)CC1 ZINC000839981011 593284507 /nfs/dbraw/zinc/28/45/07/593284507.db2.gz CTZJWRFVSPMHMH-QGZVFWFLSA-N 1 0 346.387 1.270 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840001914 593330855 /nfs/dbraw/zinc/33/08/55/593330855.db2.gz FHHPCMWOEFFUKY-WMLDXEAASA-N 1 0 348.403 1.516 20 5 EDBDRO COC(=O)C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000754539522 593330843 /nfs/dbraw/zinc/33/08/43/593330843.db2.gz OYQSRDILWAQWQQ-AWEZNQCLSA-N 1 0 335.360 1.489 20 5 EDBDRO COC(=O)[C@@H]1CSCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839677724 593368887 /nfs/dbraw/zinc/36/88/87/593368887.db2.gz VFLLDINGMRROLM-JSGCOSHPSA-N 1 0 340.401 1.466 20 5 EDBDRO C[N@H+](CCCO)C1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804460815 593417037 /nfs/dbraw/zinc/41/70/37/593417037.db2.gz AGYPVKNNJKRDDD-UHFFFAOYSA-N 1 0 338.364 1.786 20 5 EDBDRO Cc1c(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000816948633 593562224 /nfs/dbraw/zinc/56/22/24/593562224.db2.gz BOWDDHREYARWHQ-HZMBPMFUSA-N 1 0 334.332 1.588 20 5 EDBDRO CN(C[C@@H]1CCC[N@@H+]1C)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000817374100 593598237 /nfs/dbraw/zinc/59/82/37/593598237.db2.gz HFUJBNVVKNIVKF-WMLDXEAASA-N 1 0 348.403 1.516 20 5 EDBDRO Nc1ccc(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000818010729 593656967 /nfs/dbraw/zinc/65/69/67/593656967.db2.gz OOYVYGMRYYAILM-GOEBONIOSA-N 1 0 348.403 1.536 20 5 EDBDRO C[C@@](C[NH3+])(NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C1CC1 ZINC000818554984 593704500 /nfs/dbraw/zinc/70/45/00/593704500.db2.gz SGNXRDZUDDMZSV-KRWDZBQOSA-N 1 0 348.403 1.289 20 5 EDBDRO COCC1(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]CC1 ZINC000818591070 593706195 /nfs/dbraw/zinc/70/61/95/593706195.db2.gz LKHMVVHNFZTVJN-UHFFFAOYSA-N 1 0 341.795 1.994 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2(N3CCCC3)CCOCC2)c1 ZINC000819021405 593734259 /nfs/dbraw/zinc/73/42/59/593734259.db2.gz RYFNGEQELAJKDM-QGZVFWFLSA-N 1 0 349.431 1.863 20 5 EDBDRO CC(C)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000820127499 593793193 /nfs/dbraw/zinc/79/31/93/593793193.db2.gz IWPBZYBXWWXYFP-UHFFFAOYSA-N 1 0 332.368 1.455 20 5 EDBDRO C[NH+]1CCC(N(CCO)C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000824157856 593940720 /nfs/dbraw/zinc/94/07/20/593940720.db2.gz KHCAGWJPXZRHDL-IRXDYDNUSA-N 1 0 347.415 1.613 20 5 EDBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821001189 593942414 /nfs/dbraw/zinc/94/24/14/593942414.db2.gz PSIVURWIUZPFCP-WCQYABFASA-N 1 0 343.391 1.838 20 5 EDBDRO C[C@@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000825466932 594189687 /nfs/dbraw/zinc/18/96/87/594189687.db2.gz KGPMCCFFIRMPRE-XJKSGUPXSA-N 1 0 335.404 1.865 20 5 EDBDRO C[NH+](C)CC1(O)CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000828195952 594363090 /nfs/dbraw/zinc/36/30/90/594363090.db2.gz LXFOKUXXPPWIEF-HZPDHXFCSA-N 1 0 347.415 1.613 20 5 EDBDRO CS[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000828372709 594404008 /nfs/dbraw/zinc/40/40/08/594404008.db2.gz LBBHRDFKNHQCID-CHWSQXEVSA-N 1 0 329.466 1.860 20 5 EDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000826677885 594552991 /nfs/dbraw/zinc/55/29/91/594552991.db2.gz RKTTXYZWVQTWQO-SNVBAGLBSA-N 1 0 337.336 1.059 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c(C)c1[N+](=O)[O-] ZINC000827330787 594661787 /nfs/dbraw/zinc/66/17/87/594661787.db2.gz RSLURLAWVKHSQP-UONOGXRCSA-N 1 0 335.408 1.351 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000827353416 594663818 /nfs/dbraw/zinc/66/38/18/594663818.db2.gz COLKCQGFFJAKFQ-WCQYABFASA-N 1 0 349.387 1.778 20 5 EDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000827528027 594678725 /nfs/dbraw/zinc/67/87/25/594678725.db2.gz FDKCELCJGLSKGG-LLVKDONJSA-N 1 0 325.390 1.113 20 5 EDBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CCC1 ZINC000831549787 594682509 /nfs/dbraw/zinc/68/25/09/594682509.db2.gz LJYLRXOIFPWJDS-UHFFFAOYSA-N 1 0 334.376 1.043 20 5 EDBDRO CCO[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000831708347 594694713 /nfs/dbraw/zinc/69/47/13/594694713.db2.gz RHCQIFSKTLZDST-CYBMUJFWSA-N 1 0 327.356 1.359 20 5 EDBDRO CCO[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1OC)C[NH+](C)C ZINC000831724552 594696513 /nfs/dbraw/zinc/69/65/13/594696513.db2.gz PAMVNPXUSBUAEU-GFCCVEGCSA-N 1 0 325.365 1.300 20 5 EDBDRO C[NH+]1CCC2(CCCN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000831729496 594697072 /nfs/dbraw/zinc/69/70/72/594697072.db2.gz VSBCNXSMGRCCRM-INIZCTEOSA-N 1 0 347.415 1.963 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)[NH+](C)C ZINC000832401042 594747762 /nfs/dbraw/zinc/74/77/62/594747762.db2.gz QRAZERVSKLSFDS-ZETCQYMHSA-N 1 0 339.776 1.616 20 5 EDBDRO C[C@@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C[NH2+]1 ZINC000841211179 594868918 /nfs/dbraw/zinc/86/89/18/594868918.db2.gz WFHTVDCWGAMETM-BDAKNGLRSA-N 1 0 340.767 1.396 20 5 EDBDRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841248159 594875721 /nfs/dbraw/zinc/87/57/21/594875721.db2.gz PFDBNBRVARTCQU-SECBINFHSA-N 1 0 342.783 1.820 20 5 EDBDRO C[C@H]1C[C@@H](C[NH3+])CN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843362347 595087910 /nfs/dbraw/zinc/08/79/10/595087910.db2.gz FCMLBECQNPTEBS-UWVGGRQHSA-N 1 0 326.784 1.856 20 5 EDBDRO CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000834347941 595099845 /nfs/dbraw/zinc/09/98/45/595099845.db2.gz XRWDENSPWVQJDV-NNQSOWQGSA-N 1 0 343.387 1.686 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)cc1 ZINC000834353691 595100873 /nfs/dbraw/zinc/10/08/73/595100873.db2.gz MLIPBIFZATWVOA-DLBZAZTESA-N 1 0 334.347 1.961 20 5 EDBDRO C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000842474223 595114169 /nfs/dbraw/zinc/11/41/69/595114169.db2.gz KJEFHXAOGIQWQR-ZJUUUORDSA-N 1 0 326.784 1.869 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843456183 595117146 /nfs/dbraw/zinc/11/71/46/595117146.db2.gz DYNRDZFNQODRRG-UHFFFAOYSA-N 1 0 330.348 1.550 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)cc([N+](=O)[O-])c1F ZINC000842482006 595118182 /nfs/dbraw/zinc/11/81/82/595118182.db2.gz RYEVVXCCJBWAKZ-JTQLQIEISA-N 1 0 331.369 1.463 20 5 EDBDRO C[N@H+](CCOC(=O)Cn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000837479471 595120699 /nfs/dbraw/zinc/12/06/99/595120699.db2.gz CBAHHEQHAGRBAA-UHFFFAOYSA-N 1 0 345.355 1.432 20 5 EDBDRO [NH3+]CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C(F)F ZINC000843484623 595125972 /nfs/dbraw/zinc/12/59/72/595125972.db2.gz USQFIXPKWLVGNE-GFCCVEGCSA-N 1 0 342.346 1.907 20 5 EDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cc([C@@H]3CC[NH2+]C3)[nH]n1)CC2 ZINC000843495046 595130591 /nfs/dbraw/zinc/13/05/91/595130591.db2.gz OKHGTCIRYWCZMU-GFCCVEGCSA-N 1 0 341.371 1.906 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC3(CC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000843502115 595132764 /nfs/dbraw/zinc/13/27/64/595132764.db2.gz YOMIOAKMVLSQAW-UHFFFAOYSA-N 1 0 334.332 1.780 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC1CC[NH2+]CC1 ZINC000842681866 595168776 /nfs/dbraw/zinc/16/87/76/595168776.db2.gz JHKXCBFPVHPRKA-UHFFFAOYSA-N 1 0 333.797 1.587 20 5 EDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000843779038 595183935 /nfs/dbraw/zinc/18/39/35/595183935.db2.gz NOWYSJBOPJMDGT-NWDGAFQWSA-N 1 0 337.351 1.635 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2CC3(CC([NH3+])C3)C2)c1C ZINC000842795283 595201860 /nfs/dbraw/zinc/20/18/60/595201860.db2.gz LPOKKGKZFISSAL-UHFFFAOYSA-N 1 0 339.417 1.760 20 5 EDBDRO COc1cc(S(=O)(=O)NC2CC3(CC([NH3+])C3)C2)ccc1[N+](=O)[O-] ZINC000842797094 595202348 /nfs/dbraw/zinc/20/23/48/595202348.db2.gz IHHQKYJGMAMIQZ-UHFFFAOYSA-N 1 0 341.389 1.152 20 5 EDBDRO CN1CCCC[C@H]1C[NH2+][C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000846701369 595304011 /nfs/dbraw/zinc/30/40/11/595304011.db2.gz FAXZLYBAJXPDJM-GJZGRUSLSA-N 1 0 346.387 1.301 20 5 EDBDRO O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000848397183 595373737 /nfs/dbraw/zinc/37/37/37/595373737.db2.gz VOQDDTCPIQNGLY-FUHWJXTLSA-N 1 0 344.415 1.633 20 5 EDBDRO CN(C)C(=O)[C@H]1CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848488052 595393489 /nfs/dbraw/zinc/39/34/89/595393489.db2.gz FJODXHNNHAFPAW-ZDUSSCGKSA-N 1 0 343.387 1.826 20 5 EDBDRO O=C(OCCn1ccc([N+](=O)[O-])n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000848774772 595444879 /nfs/dbraw/zinc/44/48/79/595444879.db2.gz RNRIKDZGLFRPGJ-HNNXBMFYSA-N 1 0 344.371 1.857 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)cc([N+](=O)[O-])c1F ZINC000849429353 595524976 /nfs/dbraw/zinc/52/49/76/595524976.db2.gz OANIURUCDWWVNY-SNVBAGLBSA-N 1 0 333.385 1.661 20 5 EDBDRO O=C([C@H]1[NH2+]CC12CCCC2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000852786594 595541785 /nfs/dbraw/zinc/54/17/85/595541785.db2.gz YASGYOGDKVROTK-OAHLLOKOSA-N 1 0 345.403 1.171 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852805946 595550747 /nfs/dbraw/zinc/55/07/47/595550747.db2.gz CNURGGFXKDPGCA-SNVBAGLBSA-N 1 0 326.740 1.310 20 5 EDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765716 595599622 /nfs/dbraw/zinc/59/96/22/595599622.db2.gz JUAHBPCVBIQCKU-VHSXEESVSA-N 1 0 329.303 1.762 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1SCCS1 ZINC000853118997 595671362 /nfs/dbraw/zinc/67/13/62/595671362.db2.gz BIELDHILLYHHDX-JTQLQIEISA-N 1 0 330.431 1.730 20 5 EDBDRO CN(CC1C[NH+](C)C1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853555453 595799316 /nfs/dbraw/zinc/79/93/16/595799316.db2.gz WJOCJXVLQBDTCE-INIZCTEOSA-N 1 0 332.404 1.362 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1F ZINC000854600235 596132442 /nfs/dbraw/zinc/13/24/42/596132442.db2.gz PLJSCPFNTMBFCB-ONGXEEELSA-N 1 0 325.315 1.958 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H](N2CCOC2=O)C1 ZINC000852435187 596160542 /nfs/dbraw/zinc/16/05/42/596160542.db2.gz JOYSQKQIEBKEDH-LBPRGKRZSA-N 1 0 348.359 1.368 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc([N+](=O)[O-])c1F ZINC000857235124 596194325 /nfs/dbraw/zinc/19/43/25/596194325.db2.gz OQYFWBZJNVNRPB-HZMBPMFUSA-N 1 0 343.380 1.544 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000852742566 596237192 /nfs/dbraw/zinc/23/71/92/596237192.db2.gz KZNJYFBPOFQNIG-INIZCTEOSA-N 1 0 332.404 1.238 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866827506 596368632 /nfs/dbraw/zinc/36/86/32/596368632.db2.gz NWZBPPXGCFSFFQ-GHMZBOCLSA-N 1 0 345.808 1.763 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c1C ZINC000866828336 596369351 /nfs/dbraw/zinc/36/93/51/596369351.db2.gz WDKXITBEVLWSJP-OLZOCXBDSA-N 1 0 339.417 1.727 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H](Nc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865522206 596599083 /nfs/dbraw/zinc/59/90/83/596599083.db2.gz NTQVPWXNSCGUJQ-GFCCVEGCSA-N 1 0 327.356 1.749 20 5 EDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867976701 596641738 /nfs/dbraw/zinc/64/17/38/596641738.db2.gz RCFFCUKRHCMGQC-ZDUSSCGKSA-N 1 0 341.383 1.485 20 5 EDBDRO C[C@]1([NH3+])CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000868079890 596678572 /nfs/dbraw/zinc/67/85/72/596678572.db2.gz ZUGXIOJADRWSIC-LBPRGKRZSA-N 1 0 328.166 1.921 20 5 EDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000871764577 596688890 /nfs/dbraw/zinc/68/88/90/596688890.db2.gz IFRWCXDCUYAVKN-KBPBESRZSA-N 1 0 332.360 1.228 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c(C)c1[N+](=O)[O-] ZINC000871815727 596710952 /nfs/dbraw/zinc/71/09/52/596710952.db2.gz QJZDUAFLFYOMLW-SWLSCSKDSA-N 1 0 339.417 1.442 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000868283889 596763787 /nfs/dbraw/zinc/76/37/87/596763787.db2.gz JWJKKFLDHFFWBL-AWEZNQCLSA-N 1 0 336.392 1.423 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CC3(CO2)CCOCC3)cc1 ZINC000872232415 596847122 /nfs/dbraw/zinc/84/71/22/596847122.db2.gz YWMRXLBEPNIFQM-HZPDHXFCSA-N 1 0 336.388 1.804 20 5 EDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000872267785 596861125 /nfs/dbraw/zinc/86/11/25/596861125.db2.gz IKFGBHLGIDCMRP-CALCHBBNSA-N 1 0 332.404 1.732 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(NS(C)(=O)=O)CC1 ZINC000876555897 597239376 /nfs/dbraw/zinc/23/93/76/597239376.db2.gz HJNKDBKUAORABP-UHFFFAOYSA-N 1 0 341.433 1.725 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3CCN(CC(F)(F)F)C3)C2)c1 ZINC000876942682 597391770 /nfs/dbraw/zinc/39/17/70/597391770.db2.gz BHLJYHWGQUYOEP-VOMCLLRMSA-N 1 0 347.341 1.969 20 5 EDBDRO O=[N+]([O-])c1ccc2oc(CNC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)nc2c1 ZINC000877021414 597414127 /nfs/dbraw/zinc/41/41/27/597414127.db2.gz BAWXCLDFPMPVNT-OLZOCXBDSA-N 1 0 332.360 1.689 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000877367756 597502784 /nfs/dbraw/zinc/50/27/84/597502784.db2.gz NMCUWEWVPABXNY-OIBJUYFYSA-N 1 0 335.257 1.943 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCc4ncnn43)CC2)cc1 ZINC000877914061 597563895 /nfs/dbraw/zinc/56/38/95/597563895.db2.gz ZDNWXKFVMWTDEZ-HNNXBMFYSA-N 1 0 328.376 1.496 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879574989 597637978 /nfs/dbraw/zinc/63/79/78/597637978.db2.gz HOEOJYILJQDNPU-CJNGLKHVSA-N 1 0 332.404 1.868 20 5 EDBDRO CN1CC[NH+](C2CCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000879593602 597650043 /nfs/dbraw/zinc/65/00/43/597650043.db2.gz HMJYONOALFPCAD-GOSISDBHSA-N 1 0 348.447 1.340 20 5 EDBDRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000127971039 597709195 /nfs/dbraw/zinc/70/91/95/597709195.db2.gz KCGYXAYHFISGAA-UHFFFAOYSA-N 1 0 342.783 1.691 20 5 EDBDRO COc1ccc([C@@H]2C[NH2+]CCN2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000883450946 597752212 /nfs/dbraw/zinc/75/22/12/597752212.db2.gz BWSYOGQVFVRTRX-HNNXBMFYSA-N 1 0 331.376 1.446 20 5 EDBDRO COc1ccc(OCC[NH+]2CCC3(CCNC3=O)CC2)c([N+](=O)[O-])c1 ZINC000879918182 597763554 /nfs/dbraw/zinc/76/35/54/597763554.db2.gz VIOUADHRBYAWMJ-UHFFFAOYSA-N 1 0 349.387 1.584 20 5 EDBDRO CO[C@@H]1COCC[C@H]1N(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000880430097 597930872 /nfs/dbraw/zinc/93/08/72/597930872.db2.gz JURLLSKEPPBPIV-GDBMZVCRSA-N 1 0 349.387 1.220 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000884005980 597966853 /nfs/dbraw/zinc/96/68/53/597966853.db2.gz BPXIQZAFSUOFJJ-LBPRGKRZSA-N 1 0 349.387 1.828 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)c1 ZINC000880582854 597970271 /nfs/dbraw/zinc/97/02/71/597970271.db2.gz SIADTAXCDSZMEU-JKSUJKDBSA-N 1 0 336.388 1.492 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCCO2)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000884293344 598057637 /nfs/dbraw/zinc/05/76/37/598057637.db2.gz AOSALJMCGLXMKW-YPMHNXCESA-N 1 0 347.371 1.580 20 5 EDBDRO C[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCN1c1cc[nH+]cc1 ZINC000882821081 598070109 /nfs/dbraw/zinc/07/01/09/598070109.db2.gz KNSLEGNBUPBWAW-LBPRGKRZSA-N 1 0 339.359 1.748 20 5 EDBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(-c2nn[nH]n2)c1 ZINC000738369293 598499139 /nfs/dbraw/zinc/49/91/39/598499139.db2.gz KKVNLHPJAYVYHV-NWDGAFQWSA-N 1 0 330.352 1.209 20 5 EDBDRO C[C@H]1CCC[N@H+](CCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820709169 607168576 /nfs/dbraw/zinc/16/85/76/607168576.db2.gz FFJVTUJGUVVLFM-JTQLQIEISA-N 1 0 332.368 1.314 20 5 EDBDRO C[NH+]1CCC(CC(=O)NC2CN(Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001031051076 695386351 /nfs/dbraw/zinc/38/63/51/695386351.db2.gz KJXCAUKGBBGPEX-UHFFFAOYSA-N 1 0 346.431 1.627 20 5 EDBDRO CC(C)[NH+]1CCC(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000915287392 695779555 /nfs/dbraw/zinc/77/95/55/695779555.db2.gz CJQZLVFBZYCZJS-UHFFFAOYSA-N 1 0 345.403 1.934 20 5 EDBDRO O=C(c1ncc[nH]1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000996362714 702723425 /nfs/dbraw/zinc/72/34/25/702723425.db2.gz AOGAALANRCWWIM-UHFFFAOYSA-N 1 0 329.360 1.712 20 5 EDBDRO Cc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC000996428854 702783221 /nfs/dbraw/zinc/78/32/21/702783221.db2.gz JEXDDGFKCHWTPD-CHWSQXEVSA-N 1 0 338.433 1.506 20 5 EDBDRO Cc1ccc(CC[N@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001000673755 708060662 /nfs/dbraw/zinc/06/06/62/708060662.db2.gz KQFACBBKOPKHDT-QZTJIDSGSA-N 1 0 343.427 1.951 20 5 EDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC001005381334 708811775 /nfs/dbraw/zinc/81/17/75/708811775.db2.gz IMPOITMLSDZNTE-IAGOWNOFSA-N 1 0 347.415 1.267 20 5 EDBDRO COc1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)ccn1 ZINC001005377972 708835700 /nfs/dbraw/zinc/83/57/00/708835700.db2.gz GIXHHRMMLNPLQM-HUUCEWRRSA-N 1 0 348.403 1.178 20 5 EDBDRO CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001034643264 710319340 /nfs/dbraw/zinc/31/93/40/710319340.db2.gz LQDHPBLBZBCZFL-AAVRWANBSA-N 1 0 335.408 1.085 20 5 EDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178100156 232082939 /nfs/dbraw/zinc/08/29/39/232082939.db2.gz RPGXWOHOFNWUHD-AWEZNQCLSA-N 1 0 333.388 1.318 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412361205 304001848 /nfs/dbraw/zinc/00/18/48/304001848.db2.gz PPZHVLQDUOYVFL-DLBZAZTESA-N 1 0 348.447 1.698 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000183678285 235194130 /nfs/dbraw/zinc/19/41/30/235194130.db2.gz WWONSOSHUKGRIW-CQSZACIVSA-N 1 0 348.403 1.186 20 5 EDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000128449475 283115174 /nfs/dbraw/zinc/11/51/74/283115174.db2.gz UGOXFTKNHOTOCR-CYBMUJFWSA-N 1 0 348.403 1.113 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000068178741 138192713 /nfs/dbraw/zinc/19/27/13/138192713.db2.gz UZOFMGQWDYOEMD-HNNXBMFYSA-N 1 0 345.403 1.389 20 5 EDBDRO CC(C)C[NH+]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000079338315 138261282 /nfs/dbraw/zinc/26/12/82/138261282.db2.gz NMWHTVFQBKEMAL-UHFFFAOYSA-N 1 0 334.420 1.831 20 5 EDBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000364983371 283349867 /nfs/dbraw/zinc/34/98/67/283349867.db2.gz YIOIPVJRCOOKNI-CQSZACIVSA-N 1 0 336.367 1.652 20 5 EDBDRO CC[NH+](CC)CCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000069127391 201164762 /nfs/dbraw/zinc/16/47/62/201164762.db2.gz QFEXPPPEAIWREE-UHFFFAOYSA-N 1 0 325.365 1.440 20 5 EDBDRO CN(C)c1cccnc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000565829547 306392630 /nfs/dbraw/zinc/39/26/30/306392630.db2.gz XZRSLXYTPHXNLC-ZDUSSCGKSA-N 1 0 346.387 1.585 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCC[C@H]2CCOC2)cc1 ZINC000565888226 306393837 /nfs/dbraw/zinc/39/38/37/306393837.db2.gz IRDPGFVCVAIUNE-ZDUSSCGKSA-N 1 0 342.417 1.775 20 5 EDBDRO COCCN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000071113278 203085897 /nfs/dbraw/zinc/08/58/97/203085897.db2.gz XIJMIUIVYCKKDF-AWEZNQCLSA-N 1 0 328.390 1.230 20 5 EDBDRO COC(=O)COc1ccc(CN[C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415079840 304158058 /nfs/dbraw/zinc/15/80/58/304158058.db2.gz XWBJGYZJWBMVDF-ZDUSSCGKSA-N 1 0 337.376 1.378 20 5 EDBDRO COc1cc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)ccc1[N+](=O)[O-] ZINC000194771494 139000421 /nfs/dbraw/zinc/00/04/21/139000421.db2.gz YWFAAZKTCYFSKD-LBPRGKRZSA-N 1 0 343.405 1.399 20 5 EDBDRO NC(=O)N1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000102180509 204032818 /nfs/dbraw/zinc/03/28/18/204032818.db2.gz OPENBEKGCQGJOI-UHFFFAOYSA-N 1 0 335.364 1.010 20 5 EDBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000104755460 204118311 /nfs/dbraw/zinc/11/83/11/204118311.db2.gz FEFVAGMGNMEHNJ-UHFFFAOYSA-N 1 0 345.396 1.887 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000106444900 204194752 /nfs/dbraw/zinc/19/47/52/204194752.db2.gz QBIAJGJVBWHCBU-AWEZNQCLSA-N 1 0 336.392 1.721 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC([NH2+]C)CC2)cc1OC ZINC000237049898 139039156 /nfs/dbraw/zinc/03/91/56/139039156.db2.gz QNBWTFSZJPOFKM-UHFFFAOYSA-N 1 0 337.376 1.826 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000237210943 139044476 /nfs/dbraw/zinc/04/44/76/139044476.db2.gz QHHJSXFGGYLLNO-NSHDSACASA-N 1 0 343.405 1.224 20 5 EDBDRO COc1cc(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000237228327 139045037 /nfs/dbraw/zinc/04/50/37/139045037.db2.gz JITSEJIKDYSTHO-MNOVXSKESA-N 1 0 343.405 1.351 20 5 EDBDRO C[C@@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000237554685 139054010 /nfs/dbraw/zinc/05/40/10/139054010.db2.gz KUUTTYXKGIBBCN-BXUZGUMPSA-N 1 0 327.406 1.484 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000237620843 139056037 /nfs/dbraw/zinc/05/60/37/139056037.db2.gz FKJODOQFEGPHQK-FZMZJTMJSA-N 1 0 334.376 1.053 20 5 EDBDRO [NH3+]C[C@H]1CCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000238032675 139067141 /nfs/dbraw/zinc/06/71/41/139067141.db2.gz XXZYYPZBSUDSGS-LLVKDONJSA-N 1 0 327.768 1.967 20 5 EDBDRO C[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000155812337 206036359 /nfs/dbraw/zinc/03/63/59/206036359.db2.gz VIEBSOGTKDPVNO-LBPRGKRZSA-N 1 0 343.449 1.991 20 5 EDBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000156635514 206090976 /nfs/dbraw/zinc/09/09/76/206090976.db2.gz XIXCUWCZWPUFLW-AAEUAGOBSA-N 1 0 329.360 1.568 20 5 EDBDRO Cc1c(CC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000245930245 139090425 /nfs/dbraw/zinc/09/04/25/139090425.db2.gz IXDKPZHOSHILGH-STQMWFEESA-N 1 0 335.404 1.359 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000261632558 291601915 /nfs/dbraw/zinc/60/19/15/291601915.db2.gz FNCMTNHXOGMTRQ-ZDUSSCGKSA-N 1 0 327.406 1.570 20 5 EDBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159226483 206232251 /nfs/dbraw/zinc/23/22/51/206232251.db2.gz FLCYUFIPNTVVCE-QGZVFWFLSA-N 1 0 342.355 1.262 20 5 EDBDRO CC(C)([NH3+])CNC(=O)CCCn1c2ccc([N+](=O)[O-])cc2oc1=O ZINC000159986882 206273694 /nfs/dbraw/zinc/27/36/94/206273694.db2.gz VCBBFJSOAFUEBL-UHFFFAOYSA-N 1 0 336.348 1.136 20 5 EDBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCCC2(CC[NH2+]CC2)C1 ZINC000372611533 284619184 /nfs/dbraw/zinc/61/91/84/284619184.db2.gz QRBZYJREUMUPSK-UHFFFAOYSA-N 1 0 347.371 1.929 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000248603891 139168585 /nfs/dbraw/zinc/16/85/85/139168585.db2.gz JNHAOKVWNIGMPA-LKTVYLICSA-N 1 0 347.371 1.581 20 5 EDBDRO CC[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248624731 139168845 /nfs/dbraw/zinc/16/88/45/139168845.db2.gz OTJGKQDJRLPVFE-NVXWUHKLSA-N 1 0 330.388 1.989 20 5 EDBDRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000415402292 304214212 /nfs/dbraw/zinc/21/42/12/304214212.db2.gz QQNLHOSWFBMBLW-UHFFFAOYSA-N 1 0 334.376 1.300 20 5 EDBDRO C[NH+](C)[C@H]1CC[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000094004319 218260519 /nfs/dbraw/zinc/26/05/19/218260519.db2.gz JYAZDCKWBBIMCG-QWRGUYRKSA-N 1 0 344.371 1.649 20 5 EDBDRO COc1ccc(NC(=O)NCCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415445683 304220402 /nfs/dbraw/zinc/22/04/02/304220402.db2.gz SMIYJQMBCHVSTI-UHFFFAOYSA-N 1 0 337.380 1.020 20 5 EDBDRO COC(=O)[C@H](O)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255570479 139208002 /nfs/dbraw/zinc/20/80/02/139208002.db2.gz QZZIBZMNCBOFIT-DQOPKJQZSA-N 1 0 334.372 1.854 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000261932711 139238162 /nfs/dbraw/zinc/23/81/62/139238162.db2.gz SXSJECVUBINEGY-CQSZACIVSA-N 1 0 341.433 1.960 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000262271096 139265344 /nfs/dbraw/zinc/26/53/44/139265344.db2.gz SLYFCVHFBFLESL-LSDHHAIUSA-N 1 0 343.387 1.443 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000415578711 304230896 /nfs/dbraw/zinc/23/08/96/304230896.db2.gz IXTVSTWYOBXRHA-CQSZACIVSA-N 1 0 347.419 1.723 20 5 EDBDRO CS(=O)(=O)c1cccc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1[N+](=O)[O-] ZINC000262492063 139282125 /nfs/dbraw/zinc/28/21/25/139282125.db2.gz LBVVINKOEFPTJJ-DCAQKATOSA-N 1 0 325.390 1.172 20 5 EDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[C@@H]1CCC[NH2+]C1 ZINC000420191188 251637770 /nfs/dbraw/zinc/63/77/70/251637770.db2.gz HJDISNAGKVLIJZ-NSHDSACASA-N 1 0 327.406 1.800 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000420250257 251657828 /nfs/dbraw/zinc/65/78/28/251657828.db2.gz ZPXZXEIXXVBAGM-LLVKDONJSA-N 1 0 347.341 1.855 20 5 EDBDRO CCOc1cc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000262713694 139298334 /nfs/dbraw/zinc/29/83/34/139298334.db2.gz DDBZPDJWWSUJID-ZYHUDNBSSA-N 1 0 337.376 1.730 20 5 EDBDRO C[C@@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000420417122 251713382 /nfs/dbraw/zinc/71/33/82/251713382.db2.gz DDSBNIOWTHJLJU-IUODEOHRSA-N 1 0 341.433 1.526 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262857954 139308479 /nfs/dbraw/zinc/30/84/79/139308479.db2.gz TUJGVDVPDIEBOE-FZMZJTMJSA-N 1 0 329.360 1.508 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000262885737 139310511 /nfs/dbraw/zinc/31/05/11/139310511.db2.gz NYIFVMWCXGJQAL-MNOVXSKESA-N 1 0 337.376 1.872 20 5 EDBDRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)c2[nH]ncc2[N+](=O)[O-])cc1 ZINC000423514457 252058571 /nfs/dbraw/zinc/05/85/71/252058571.db2.gz SGCPAGARVYWCEQ-OLZOCXBDSA-N 1 0 345.359 1.202 20 5 EDBDRO COCC1(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)CC[NH2+]CC1 ZINC000423655449 252064543 /nfs/dbraw/zinc/06/45/43/252064543.db2.gz SIOGQSUTVGJTSW-UHFFFAOYSA-N 1 0 335.404 1.578 20 5 EDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000569723792 306517910 /nfs/dbraw/zinc/51/79/10/306517910.db2.gz NQBFHSSMZSPDLN-IUCAKERBSA-N 1 0 342.783 1.106 20 5 EDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415629803 304242621 /nfs/dbraw/zinc/24/26/21/304242621.db2.gz JCCGMSCBRQMIML-ZDUSSCGKSA-N 1 0 337.355 1.245 20 5 EDBDRO O=c1[nH]c(N2CCC3(C2)CC[NH2+]CC3)nc2ccc([N+](=O)[O-])cc21 ZINC000420224572 285148526 /nfs/dbraw/zinc/14/85/26/285148526.db2.gz GPVLDLXFRGOZFM-UHFFFAOYSA-N 1 0 329.360 1.824 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415754873 304265884 /nfs/dbraw/zinc/26/58/84/304265884.db2.gz ZZNGIPMYTRTRIV-OLZOCXBDSA-N 1 0 346.387 1.218 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459800404 255003240 /nfs/dbraw/zinc/00/32/40/255003240.db2.gz ZZSSNXKOSMAXET-JKSUJKDBSA-N 1 0 335.404 1.630 20 5 EDBDRO COCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@@H]1C ZINC000488032114 255041492 /nfs/dbraw/zinc/04/14/92/255041492.db2.gz NALOYHCINVMYMH-QEJZJMRPSA-N 1 0 326.397 1.289 20 5 EDBDRO C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000493367632 255207136 /nfs/dbraw/zinc/20/71/36/255207136.db2.gz KJWNMUGJWGUWSU-CWZTWBIVSA-N 1 0 333.388 1.522 20 5 EDBDRO C[C@@H](CCCC[NH3+])NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000494700501 255258646 /nfs/dbraw/zinc/25/86/46/255258646.db2.gz WHQUDMKEFWDVRO-NSHDSACASA-N 1 0 337.376 1.542 20 5 EDBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000268237180 139745857 /nfs/dbraw/zinc/74/58/57/139745857.db2.gz MRKUFOJITWFGSW-IINYFYTJSA-N 1 0 342.421 1.383 20 5 EDBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000269745486 139985106 /nfs/dbraw/zinc/98/51/06/139985106.db2.gz XRXZOGGVFLQNRI-AWEZNQCLSA-N 1 0 348.403 1.233 20 5 EDBDRO C[N@H+](CCO)C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000270491885 140110693 /nfs/dbraw/zinc/11/06/93/140110693.db2.gz OLBYYORRZCURNH-QPJJXVBHSA-N 1 0 333.388 1.523 20 5 EDBDRO COCCCOCC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000271603956 140318528 /nfs/dbraw/zinc/31/85/28/140318528.db2.gz UEUXUWQKEAROHU-UHFFFAOYSA-N 1 0 339.392 1.908 20 5 EDBDRO O=C1[C@@H]([N@@H+]2CCC[C@H](CO)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000339752603 142145265 /nfs/dbraw/zinc/14/52/65/142145265.db2.gz FHTNWRBIFMXKMS-BBRMVZONSA-N 1 0 333.388 1.795 20 5 EDBDRO COCC[C@@](C)(O)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000341602848 142599007 /nfs/dbraw/zinc/59/90/07/142599007.db2.gz XQHVWPZEGVMFKF-MLGOLLRUSA-N 1 0 339.392 1.689 20 5 EDBDRO CS[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000344731799 143004439 /nfs/dbraw/zinc/00/44/39/143004439.db2.gz HIVPAMSPDMNZFS-CHWSQXEVSA-N 1 0 327.381 1.852 20 5 EDBDRO CCS(=O)(=O)NCC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344849228 143019417 /nfs/dbraw/zinc/01/94/17/143019417.db2.gz HWFYDNWQPKAHEK-XFXZXTDPSA-N 1 0 327.406 1.527 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](F)C[C@@H]1C(N)=O ZINC000346087546 143166244 /nfs/dbraw/zinc/16/62/44/143166244.db2.gz TWHOGZJOIIORIB-GXFFZTMASA-N 1 0 338.339 1.130 20 5 EDBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@H](C(N)=O)[C@H](C)C1 ZINC000346645416 143225714 /nfs/dbraw/zinc/22/57/14/143225714.db2.gz HBHDOLLMNLFMFT-BREBYQMCSA-N 1 0 345.359 1.759 20 5 EDBDRO COC(=O)c1cc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc([N+](=O)[O-])c1 ZINC000347947653 143382493 /nfs/dbraw/zinc/38/24/93/143382493.db2.gz MBEFTKAIFHDQIK-OAHLLOKOSA-N 1 0 347.371 1.548 20 5 EDBDRO CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000348001203 143389781 /nfs/dbraw/zinc/38/97/81/143389781.db2.gz JNAYYPKGWCJZQK-QWHCGFSZSA-N 1 0 336.392 1.259 20 5 EDBDRO CN(CC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000369724992 155150423 /nfs/dbraw/zinc/15/04/23/155150423.db2.gz DHJRJLWKKWWPRA-AWEZNQCLSA-N 1 0 332.404 1.728 20 5 EDBDRO CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000369747192 155159989 /nfs/dbraw/zinc/15/99/89/155159989.db2.gz AOODESNQFQXTSW-AWEZNQCLSA-N 1 0 343.387 1.995 20 5 EDBDRO CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000369747193 155160236 /nfs/dbraw/zinc/16/02/36/155160236.db2.gz AOODESNQFQXTSW-CQSZACIVSA-N 1 0 343.387 1.995 20 5 EDBDRO Cc1c(C(=O)N[C@H](C)CC[NH+](C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000264902277 149047879 /nfs/dbraw/zinc/04/78/79/149047879.db2.gz LSRYWYRNHHPZCX-LLVKDONJSA-N 1 0 346.391 1.554 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC1(O)CCC1 ZINC000353478194 149422314 /nfs/dbraw/zinc/42/23/14/149422314.db2.gz DVKFHXWZKYOIRG-UHFFFAOYSA-N 1 0 337.376 1.779 20 5 EDBDRO COC(=O)COc1ccc(C[N@H+](C)C[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000355733015 150379501 /nfs/dbraw/zinc/37/95/01/150379501.db2.gz SBYXZVYAHJKTBF-CYBMUJFWSA-N 1 0 338.360 1.615 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000357984814 151222371 /nfs/dbraw/zinc/22/23/71/151222371.db2.gz HDCQJTNCIZNLPW-GFCCVEGCSA-N 1 0 349.387 1.319 20 5 EDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358053914 151249829 /nfs/dbraw/zinc/24/98/29/151249829.db2.gz WPXMZXRMYZXYAZ-HNNXBMFYSA-N 1 0 339.417 1.503 20 5 EDBDRO Cc1cc(NC[C@]2(O)CC[N@@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000358343588 151343738 /nfs/dbraw/zinc/34/37/38/151343738.db2.gz MTJXWVBOLNGJBW-QGZVFWFLSA-N 1 0 343.387 1.261 20 5 EDBDRO CN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000360747160 152183373 /nfs/dbraw/zinc/18/33/73/152183373.db2.gz RNZCJRZMQZBYAA-CQSZACIVSA-N 1 0 343.387 1.675 20 5 EDBDRO CCN1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000360771245 152197464 /nfs/dbraw/zinc/19/74/64/152197464.db2.gz XEVXTCDKAOJSAU-LBPRGKRZSA-N 1 0 327.406 1.584 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000361188793 152330252 /nfs/dbraw/zinc/33/02/52/152330252.db2.gz OXBTVEUTUQBZFU-HALDLXJZSA-N 1 0 341.371 1.038 20 5 EDBDRO Cc1c(CC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000361277926 152351408 /nfs/dbraw/zinc/35/14/08/152351408.db2.gz HAPLEQWFLUESTH-MRXNPFEDSA-N 1 0 347.415 1.815 20 5 EDBDRO CCC[N@@H+]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000363882925 153084482 /nfs/dbraw/zinc/08/44/82/153084482.db2.gz JRRQCRCQPAUJPN-UHFFFAOYSA-N 1 0 327.406 1.701 20 5 EDBDRO O=C(C[NH2+]C1CC1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000574226308 306644920 /nfs/dbraw/zinc/64/49/20/306644920.db2.gz ZHVUGQRXKBBRCH-UHFFFAOYSA-N 1 0 346.309 1.894 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417188688 304382514 /nfs/dbraw/zinc/38/25/14/304382514.db2.gz WCLWVMJGTOTSNG-SMDDNHRTSA-N 1 0 334.376 1.497 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000364611718 153286225 /nfs/dbraw/zinc/28/62/25/153286225.db2.gz MDKANSHBPLKATH-UHFFFAOYSA-N 1 0 335.404 1.822 20 5 EDBDRO CN(C(=O)CN1CCCC[C@@H]1C(=[NH2+])NO)c1ccc([N+](=O)[O-])cc1 ZINC000364771091 153328415 /nfs/dbraw/zinc/32/84/15/153328415.db2.gz QAOKVFZUHJYBAQ-CYBMUJFWSA-N 1 0 335.364 1.368 20 5 EDBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000364920877 153370383 /nfs/dbraw/zinc/37/03/83/153370383.db2.gz HTYNKOKJLSMJAU-NSHDSACASA-N 1 0 325.340 1.263 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417223894 304385580 /nfs/dbraw/zinc/38/55/80/304385580.db2.gz HIYUVYVXDKUZEH-RRFJBIMHSA-N 1 0 332.404 1.825 20 5 EDBDRO CCc1nn(C)c(N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000367939441 154337470 /nfs/dbraw/zinc/33/74/70/154337470.db2.gz UYEPXJWHTKBIOW-GFCCVEGCSA-N 1 0 336.440 1.471 20 5 EDBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000368010983 154366358 /nfs/dbraw/zinc/36/63/58/154366358.db2.gz DVEXKPFACNBTGE-CHWSQXEVSA-N 1 0 341.371 1.462 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)cc1 ZINC000374180197 157182111 /nfs/dbraw/zinc/18/21/11/157182111.db2.gz ZDBIQMIQEGZEOY-BBWFWOEESA-N 1 0 336.388 1.835 20 5 EDBDRO O=C(NCC[C@H]1CCC[NH2+]1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418084412 304456235 /nfs/dbraw/zinc/45/62/35/304456235.db2.gz PTKWLSXWLLOHOG-SNVBAGLBSA-N 1 0 332.364 1.412 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080110754 287304807 /nfs/dbraw/zinc/30/48/07/287304807.db2.gz XRAGDAOKUZBMMD-UHFFFAOYSA-N 1 0 338.408 1.707 20 5 EDBDRO [NH3+]CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000122693146 222139419 /nfs/dbraw/zinc/13/94/19/222139419.db2.gz MKARQUXFLDCLRV-UHFFFAOYSA-N 1 0 327.284 1.241 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)c1C ZINC000123399165 222270128 /nfs/dbraw/zinc/27/01/28/222270128.db2.gz OFQRWNUFIGFURJ-LBPRGKRZSA-N 1 0 327.406 1.490 20 5 EDBDRO [NH3+]C[C@@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000418402752 304492300 /nfs/dbraw/zinc/49/23/00/304492300.db2.gz OMNHYCXTVXHOBJ-OAHLLOKOSA-N 1 0 333.392 1.164 20 5 EDBDRO C[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@@H]1C[NH3+] ZINC000237425733 273010116 /nfs/dbraw/zinc/01/01/16/273010116.db2.gz CJDIJDQXGAAKJS-MEBBXXQBSA-N 1 0 344.371 1.636 20 5 EDBDRO COC(=O)COc1ccc(CN2C[C@@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000262020784 273017459 /nfs/dbraw/zinc/01/74/59/273017459.db2.gz NEOXWIOSGSVCBZ-VXGBXAGGSA-N 1 0 337.376 1.329 20 5 EDBDRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261757209 273017221 /nfs/dbraw/zinc/01/72/21/273017221.db2.gz QQGOXQHMDGIKTO-ZDUSSCGKSA-N 1 0 327.406 1.402 20 5 EDBDRO C[NH+]1CCC(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000273250635 268004113 /nfs/dbraw/zinc/00/41/13/268004113.db2.gz KZTYKNMLFHJOBC-UHFFFAOYSA-N 1 0 346.431 1.975 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000273470748 268045715 /nfs/dbraw/zinc/04/57/15/268045715.db2.gz KDHZHDDQKFJPRS-GHMZBOCLSA-N 1 0 342.421 1.527 20 5 EDBDRO COc1ccc(CNC(=O)c2c[nH+]ccc2N(C)C)cc1[N+](=O)[O-] ZINC000273622269 268066540 /nfs/dbraw/zinc/06/65/40/268066540.db2.gz VKEMFMVMHSJOHD-UHFFFAOYSA-N 1 0 330.344 1.994 20 5 EDBDRO C[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1=CC[N@H+](C)CC1 ZINC000273071592 273027785 /nfs/dbraw/zinc/02/77/85/273027785.db2.gz ZPGMIUYOZDODNO-JTQLQIEISA-N 1 0 333.344 1.704 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H](C)C1 ZINC000275364900 268330417 /nfs/dbraw/zinc/33/04/17/268330417.db2.gz MEHWNJVVBXCQEY-VXGBXAGGSA-N 1 0 348.403 1.371 20 5 EDBDRO COC(=O)c1cnc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000276809425 268480474 /nfs/dbraw/zinc/48/04/74/268480474.db2.gz RWMRXXLOOSLXKZ-CYBMUJFWSA-N 1 0 348.403 1.945 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC2=CC[N@H+](C)CC2)cc1C ZINC000273990211 273065270 /nfs/dbraw/zinc/06/52/70/273065270.db2.gz RNHSBQVKAUPNLA-UHFFFAOYSA-N 1 0 339.417 1.752 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NCC[N@@H+]1CCCOCC1 ZINC000275649446 273115734 /nfs/dbraw/zinc/11/57/34/273115734.db2.gz PHPOKXTZUWUZNZ-UHFFFAOYSA-N 1 0 336.392 1.159 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@](C)(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000280795058 273399276 /nfs/dbraw/zinc/39/92/76/273399276.db2.gz RLZUCQPMQQKNPM-MEDUHNTESA-N 1 0 334.376 1.428 20 5 EDBDRO COCC[C@H](CO)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000281424267 273471988 /nfs/dbraw/zinc/47/19/88/273471988.db2.gz BXIHTQHYHSVGMM-DGCLKSJQSA-N 1 0 325.365 1.299 20 5 EDBDRO CS[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000284201479 274114755 /nfs/dbraw/zinc/11/47/55/274114755.db2.gz SNBFDPOGTXSHNO-KGLIPLIRSA-N 1 0 340.405 1.980 20 5 EDBDRO Cn1cncc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000284421203 274195658 /nfs/dbraw/zinc/19/56/58/274195658.db2.gz CWNMJJSUPLPMLW-CZUORRHYSA-N 1 0 329.360 1.438 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000284734243 274312488 /nfs/dbraw/zinc/31/24/88/274312488.db2.gz KMFPKJCRUHEERC-HYVNUMGLSA-N 1 0 336.388 1.978 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000360913351 276709402 /nfs/dbraw/zinc/70/94/02/276709402.db2.gz JJDYOVSZHWIBLL-AWEZNQCLSA-N 1 0 336.440 1.336 20 5 EDBDRO COC(=O)[C@H]1CC12CC[NH+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2 ZINC000265014598 277387576 /nfs/dbraw/zinc/38/75/76/277387576.db2.gz GBTIETZOKKNYGG-CYBMUJFWSA-N 1 0 347.371 1.469 20 5 EDBDRO CC(C)[NH+]1CCC(N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000269308475 277583346 /nfs/dbraw/zinc/58/33/46/277583346.db2.gz FHLIUOLIVMKBIS-UHFFFAOYSA-N 1 0 333.436 1.985 20 5 EDBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000286321524 287981785 /nfs/dbraw/zinc/98/17/85/287981785.db2.gz JIFGXGDLZYAHJT-KBPBESRZSA-N 1 0 348.403 1.502 20 5 EDBDRO COc1cccc(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c1[N+](=O)[O-] ZINC000450890762 278015941 /nfs/dbraw/zinc/01/59/41/278015941.db2.gz HPLXULBOYVTNRB-ZDUSSCGKSA-N 1 0 348.403 1.394 20 5 EDBDRO C[C@H](CCCC[NH3+])NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420416344 279254724 /nfs/dbraw/zinc/25/47/24/279254724.db2.gz CEFGFGVWPWIUCU-GFCCVEGCSA-N 1 0 329.422 1.574 20 5 EDBDRO CC[NH+]1CCC(n2nccc2NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000340135178 279262839 /nfs/dbraw/zinc/26/28/39/279262839.db2.gz KFKWLALVLGZYPQ-UHFFFAOYSA-N 1 0 347.379 1.283 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[NH+]1CCCC1 ZINC000103162155 288574746 /nfs/dbraw/zinc/57/47/46/288574746.db2.gz ZIHPLROAKIGRPH-UHFFFAOYSA-N 1 0 341.433 1.874 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289303839 288670277 /nfs/dbraw/zinc/67/02/77/288670277.db2.gz SJZSWMHOMRIXBR-LBPRGKRZSA-N 1 0 338.795 1.368 20 5 EDBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290410557 288894817 /nfs/dbraw/zinc/89/48/17/288894817.db2.gz MMMVSHYHFJYBCD-UONOGXRCSA-N 1 0 328.372 1.617 20 5 EDBDRO COC(=O)c1cc(N2CCC([NH2+]CCO)CC2)cc(C)c1[N+](=O)[O-] ZINC000290891305 288970222 /nfs/dbraw/zinc/97/02/22/288970222.db2.gz CVGJNZBRKQHIOS-UHFFFAOYSA-N 1 0 337.376 1.241 20 5 EDBDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000292251841 289298755 /nfs/dbraw/zinc/29/87/55/289298755.db2.gz KFQWHTOHZBQXCD-QMTHXVAHSA-N 1 0 347.375 1.135 20 5 EDBDRO COc1cc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000292465898 289355079 /nfs/dbraw/zinc/35/50/79/289355079.db2.gz ASEWSMORHIVBJK-JTQLQIEISA-N 1 0 331.394 1.079 20 5 EDBDRO C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1C[NH3+] ZINC000246528823 290451590 /nfs/dbraw/zinc/45/15/90/290451590.db2.gz GJOQADMKFUPVPO-CABZTGNLSA-N 1 0 347.824 1.996 20 5 EDBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000331383721 294612316 /nfs/dbraw/zinc/61/23/16/294612316.db2.gz JWKZCPGDLUZOIG-GJZGRUSLSA-N 1 0 348.403 1.624 20 5 EDBDRO COc1cc(C(=O)NC[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000341261184 294940000 /nfs/dbraw/zinc/94/00/00/294940000.db2.gz NJKQYFUEDZMZEY-SNVBAGLBSA-N 1 0 325.365 1.540 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261920852 295194929 /nfs/dbraw/zinc/19/49/29/295194929.db2.gz RNMMAALEFNWTKY-GHMZBOCLSA-N 1 0 343.405 1.209 20 5 EDBDRO [NH3+]C[C@@H]1CCCN1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000160198458 295252178 /nfs/dbraw/zinc/25/21/78/295252178.db2.gz VTZIBKGIYJCRJU-LBPRGKRZSA-N 1 0 348.359 1.233 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@H]12 ZINC000248591893 295323666 /nfs/dbraw/zinc/32/36/66/295323666.db2.gz HFYUSLHVCJEYHG-ATZCPNFKSA-N 1 0 345.808 1.606 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])C[C@@H]12 ZINC000262579575 295323734 /nfs/dbraw/zinc/32/37/34/295323734.db2.gz YSMJYZSHXLRENU-IQJOONFLSA-N 1 0 329.353 1.092 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000372834959 447307736 /nfs/dbraw/zinc/30/77/36/447307736.db2.gz AJCPSBLSPQGRSD-MRXNPFEDSA-N 1 0 348.447 1.954 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000419240188 304579786 /nfs/dbraw/zinc/57/97/86/304579786.db2.gz BDJRPMGRRVEKCO-JSGCOSHPSA-N 1 0 348.403 1.339 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000419755611 304680244 /nfs/dbraw/zinc/68/02/44/304680244.db2.gz DUHKFRGACANKPO-JSGCOSHPSA-N 1 0 348.403 1.105 20 5 EDBDRO Cc1cc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000420437855 304757879 /nfs/dbraw/zinc/75/78/79/304757879.db2.gz DAOQIWOUMZFLMF-LBPRGKRZSA-N 1 0 327.406 1.714 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000420448765 304759971 /nfs/dbraw/zinc/75/99/71/304759971.db2.gz JREDINJZBOGWDM-NWDGAFQWSA-N 1 0 327.406 1.617 20 5 EDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420466470 304761800 /nfs/dbraw/zinc/76/18/00/304761800.db2.gz WDSLTRDFORPSCU-ZFWWWQNUSA-N 1 0 341.433 1.574 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373061430 302044976 /nfs/dbraw/zinc/04/49/76/302044976.db2.gz ZBGCJURQWPRNDR-RYUDHWBXSA-N 1 0 325.390 1.276 20 5 EDBDRO COC(=O)c1cnc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000294939794 303155583 /nfs/dbraw/zinc/15/55/83/303155583.db2.gz LKZGUIATFVWLDO-LLVKDONJSA-N 1 0 334.376 1.697 20 5 EDBDRO C[N@H+](CCO)C1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000295065349 303169321 /nfs/dbraw/zinc/16/93/21/303169321.db2.gz ZEBBMRNRVAXPBJ-UHFFFAOYSA-N 1 0 341.795 1.777 20 5 EDBDRO COc1cc(C(=O)NCC2([NH+](C)C)CCC2)c([N+](=O)[O-])cc1F ZINC000295662998 303249321 /nfs/dbraw/zinc/24/93/21/303249321.db2.gz AOQUGIXSZOTDAH-UHFFFAOYSA-N 1 0 325.340 1.957 20 5 EDBDRO C[C@H](O)CN1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000295880618 303279070 /nfs/dbraw/zinc/27/90/70/303279070.db2.gz ZTGDMZBHVNGUPI-JTQLQIEISA-N 1 0 327.768 1.387 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000296260470 303306546 /nfs/dbraw/zinc/30/65/46/303306546.db2.gz HTVXQFUTELXHFQ-TXEJJXNPSA-N 1 0 336.392 1.837 20 5 EDBDRO C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)O1 ZINC000296383557 303314511 /nfs/dbraw/zinc/31/45/11/303314511.db2.gz KQBRZYPMTSGEOL-SUNKGSAMSA-N 1 0 343.405 1.029 20 5 EDBDRO C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000296676802 303330734 /nfs/dbraw/zinc/33/07/34/303330734.db2.gz HPYREJIQTYEREU-GDBMZVCRSA-N 1 0 349.431 1.751 20 5 EDBDRO CC(C)C[NH+]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000302071018 303711465 /nfs/dbraw/zinc/71/14/65/303711465.db2.gz FDKQNFBICKLKDI-UHFFFAOYSA-N 1 0 342.421 1.020 20 5 EDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCC[NH+]1CCC(O)CC1 ZINC000304214066 303749980 /nfs/dbraw/zinc/74/99/80/303749980.db2.gz BEUDQDBWUYZZRA-AATRIKPKSA-N 1 0 333.388 1.571 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@H]2C[NH+](C)C)c1F ZINC000411916651 303934668 /nfs/dbraw/zinc/93/46/68/303934668.db2.gz YTLDFRLGAJHUOJ-NSHDSACASA-N 1 0 339.367 1.838 20 5 EDBDRO COc1ccc(OCC[NH2+][C@H](CO)[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000411994240 303947884 /nfs/dbraw/zinc/94/78/84/303947884.db2.gz NEKHWEBPGGTKBY-TZMCWYRMSA-N 1 0 340.376 1.359 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000423938200 304919832 /nfs/dbraw/zinc/91/98/32/304919832.db2.gz IQVCRQZVZHFTIY-XHDPSFHLSA-N 1 0 348.403 1.347 20 5 EDBDRO [NH3+]C[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CCCC1 ZINC000423958079 304921172 /nfs/dbraw/zinc/92/11/72/304921172.db2.gz MGFJQBPJBZAKLH-CQSZACIVSA-N 1 0 344.375 1.423 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1SC ZINC000423968954 304921510 /nfs/dbraw/zinc/92/15/10/304921510.db2.gz ZDSKGJBPIKKLOZ-WCBMZHEXSA-N 1 0 325.390 1.745 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000423986216 304922590 /nfs/dbraw/zinc/92/25/90/304922590.db2.gz FLYMCXQLCSSSPR-GXSJLCMTSA-N 1 0 343.767 1.120 20 5 EDBDRO Cn1c(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000424042869 304926203 /nfs/dbraw/zinc/92/62/03/304926203.db2.gz XOBAWWLQXCUHMU-WCQYABFASA-N 1 0 332.335 1.639 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)n1 ZINC000425551344 304968686 /nfs/dbraw/zinc/96/86/86/304968686.db2.gz XRMAETIKFBNELK-HNNXBMFYSA-N 1 0 338.408 1.339 20 5 EDBDRO O=C1[C@H](N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000430599528 305057951 /nfs/dbraw/zinc/05/79/51/305057951.db2.gz VYXGLGCXAPWRFR-DVOMOZLQSA-N 1 0 330.388 1.526 20 5 EDBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000430832686 305065498 /nfs/dbraw/zinc/06/54/98/305065498.db2.gz ILNUAALGWVQDCW-OLZOCXBDSA-N 1 0 338.412 1.203 20 5 EDBDRO COc1ccc(CNC(=O)C[C@H]2CSCC[NH2+]2)cc1[N+](=O)[O-] ZINC000434874724 305132010 /nfs/dbraw/zinc/13/20/10/305132010.db2.gz QQYGLXXWIRZGGX-NSHDSACASA-N 1 0 325.390 1.315 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000438536848 305186895 /nfs/dbraw/zinc/18/68/95/305186895.db2.gz XCZLWOGJIRUZSI-UHFFFAOYSA-N 1 0 343.387 1.995 20 5 EDBDRO CN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000439594090 305200631 /nfs/dbraw/zinc/20/06/31/305200631.db2.gz IGQCBZLLFHTURC-CQSZACIVSA-N 1 0 332.360 1.228 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000440732457 305211982 /nfs/dbraw/zinc/21/19/82/305211982.db2.gz HVTPUCYUFOCRRI-NWDGAFQWSA-N 1 0 327.406 1.569 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c1[N+](=O)[O-] ZINC000440839181 305213250 /nfs/dbraw/zinc/21/32/50/305213250.db2.gz AMLKEYXOWWWRCO-NWDGAFQWSA-N 1 0 327.406 1.569 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000446395365 305264454 /nfs/dbraw/zinc/26/44/54/305264454.db2.gz CSNDZKIMEDCZEU-WOPDTQHZSA-N 1 0 338.412 1.213 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000446395972 305264606 /nfs/dbraw/zinc/26/46/06/305264606.db2.gz HKVPXHDEARSVGQ-CYZMBNFOSA-N 1 0 334.376 1.099 20 5 EDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000449179532 305309002 /nfs/dbraw/zinc/30/90/02/305309002.db2.gz WCVSRPXQHTWJQF-XJKSGUPXSA-N 1 0 347.415 1.895 20 5 EDBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451247743 305335282 /nfs/dbraw/zinc/33/52/82/305335282.db2.gz ACOCZMKBUSPKQO-HIFRSBDPSA-N 1 0 333.388 1.577 20 5 EDBDRO NC(=O)c1ccc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000451612447 305356299 /nfs/dbraw/zinc/35/62/99/305356299.db2.gz QDMYWBOWAAFSFQ-ZBFHGGJFSA-N 1 0 333.388 1.580 20 5 EDBDRO CC[C@@H]1C[N@H+](CC)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451723725 305364668 /nfs/dbraw/zinc/36/46/68/305364668.db2.gz BCLNQJISTQZKPF-GDBMZVCRSA-N 1 0 337.420 1.751 20 5 EDBDRO CC1(C)COC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000451816647 305370780 /nfs/dbraw/zinc/37/07/80/305370780.db2.gz ZMLHEDHSDRMPIO-ZDUSSCGKSA-N 1 0 328.390 1.383 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H](CCCO)C1 ZINC000452120198 305384027 /nfs/dbraw/zinc/38/40/27/305384027.db2.gz LURUMPMCTHVADL-CYBMUJFWSA-N 1 0 349.387 1.987 20 5 EDBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000452394520 305397818 /nfs/dbraw/zinc/39/78/18/305397818.db2.gz VJDVTQLFQRPOLA-GFCCVEGCSA-N 1 0 341.795 1.825 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000493593040 447349515 /nfs/dbraw/zinc/34/95/15/447349515.db2.gz FUJJEUMLEACCNZ-YMPXZSTISA-N 1 0 345.399 1.930 20 5 EDBDRO CC(C)[NH+]1CCC(O)(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000492130879 305588026 /nfs/dbraw/zinc/58/80/26/305588026.db2.gz JYGCBFUDNMVSHN-YVMONPNESA-N 1 0 347.415 1.960 20 5 EDBDRO CNc1ccc(C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000530885815 305948623 /nfs/dbraw/zinc/94/86/23/305948623.db2.gz PCZRETRTAOVSAF-OAHLLOKOSA-N 1 0 338.433 1.804 20 5 EDBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1c[nH]nc1[N+](=O)[O-] ZINC000554861603 306198786 /nfs/dbraw/zinc/19/87/86/306198786.db2.gz ZYSOUTIPXHJROY-ZDUSSCGKSA-N 1 0 329.360 1.712 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000449639802 447382473 /nfs/dbraw/zinc/38/24/73/447382473.db2.gz QQQFVZJCCKWQJV-SGMGOOAPSA-N 1 0 348.403 1.347 20 5 EDBDRO CC(C)(C(=O)NCCNc1cc[nH+]cc1)c1ccccc1[N+](=O)[O-] ZINC000449816498 447395883 /nfs/dbraw/zinc/39/58/83/447395883.db2.gz XRGJYOIQYZBDHT-UHFFFAOYSA-N 1 0 328.372 1.918 20 5 EDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000493810883 447400502 /nfs/dbraw/zinc/40/05/02/447400502.db2.gz ALPNGQNQTXKUAP-CDNLZTBQSA-N 1 0 333.388 1.571 20 5 EDBDRO O=C(NCCCC[NH+]1CCOCC1)NCc1ccccc1[N+](=O)[O-] ZINC000045623490 441010361 /nfs/dbraw/zinc/01/03/61/441010361.db2.gz UKSLUFFBXWBPJC-UHFFFAOYSA-N 1 0 336.392 1.506 20 5 EDBDRO Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000008372932 441090839 /nfs/dbraw/zinc/09/08/39/441090839.db2.gz BFSXXJCKONSWOU-UHFFFAOYSA-N 1 0 349.412 1.971 20 5 EDBDRO CNC(=O)[C@H](C)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000081553704 441287995 /nfs/dbraw/zinc/28/79/95/441287995.db2.gz LRMBMMWOIITWID-GFCCVEGCSA-N 1 0 336.392 1.546 20 5 EDBDRO C[C@H](CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[N@H+](C)C1CC1 ZINC000073075190 441290973 /nfs/dbraw/zinc/29/09/73/441290973.db2.gz QFUCYMYMGUMBHH-LLVKDONJSA-N 1 0 349.387 1.507 20 5 EDBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccccc1C[NH+]1CCCC1 ZINC000048314616 441291278 /nfs/dbraw/zinc/29/12/78/441291278.db2.gz OGKUHTJUDOZZOV-UHFFFAOYSA-N 1 0 344.375 1.099 20 5 EDBDRO CC(C)[C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+](C)C ZINC000106425965 441342872 /nfs/dbraw/zinc/34/28/72/441342872.db2.gz ASTDNGHSKAULBB-MRXNPFEDSA-N 1 0 334.420 1.830 20 5 EDBDRO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000048606236 441318518 /nfs/dbraw/zinc/31/85/18/441318518.db2.gz VXXMACGIJKBLJN-UHFFFAOYSA-N 1 0 328.756 1.255 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000108328577 441444044 /nfs/dbraw/zinc/44/40/44/441444044.db2.gz VVFKOMKSMVKJBO-ZDUSSCGKSA-N 1 0 343.387 1.852 20 5 EDBDRO Cc1ccc(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000032268107 441549517 /nfs/dbraw/zinc/54/95/17/441549517.db2.gz BPUZMONECWCTNH-HNNXBMFYSA-N 1 0 335.404 1.990 20 5 EDBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000032267838 441549729 /nfs/dbraw/zinc/54/97/29/441549729.db2.gz KXVLZBNHZXPASQ-MRXNPFEDSA-N 1 0 335.404 1.610 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2COc2ccccc2)c1 ZINC000075742083 441554028 /nfs/dbraw/zinc/55/40/28/441554028.db2.gz XTXFXRZJPBTPIS-ZBFHGGJFSA-N 1 0 346.387 1.696 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000076158234 441604609 /nfs/dbraw/zinc/60/46/09/441604609.db2.gz UJJWWRIMXZQMJZ-UHFFFAOYSA-N 1 0 331.376 1.843 20 5 EDBDRO CC[NH+]1CCN(CCCNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000041621019 441664749 /nfs/dbraw/zinc/66/47/49/441664749.db2.gz PQABGQLJZJJKFL-UHFFFAOYSA-N 1 0 338.437 1.744 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000067864850 441690175 /nfs/dbraw/zinc/69/01/75/441690175.db2.gz DPGKOOVHCBDLID-AAEUAGOBSA-N 1 0 346.387 1.066 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000042055556 441699624 /nfs/dbraw/zinc/69/96/24/441699624.db2.gz QTSNFFAMGLLAKD-DZGCQCFKSA-N 1 0 346.387 1.585 20 5 EDBDRO C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000173291949 441705649 /nfs/dbraw/zinc/70/56/49/441705649.db2.gz OXRRUBRHIDSIBL-QGZVFWFLSA-N 1 0 346.431 1.837 20 5 EDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)[N@@H+]1CCc2sccc2C1 ZINC000076677101 441674877 /nfs/dbraw/zinc/67/48/77/441674877.db2.gz JRQYLOFPBJUQNP-VIFPVBQESA-N 1 0 334.405 1.887 20 5 EDBDRO CCC[N@@H+](CC(=O)N(C)C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000056510918 441720959 /nfs/dbraw/zinc/72/09/59/441720959.db2.gz REOWFIACZCLUDJ-AWEZNQCLSA-N 1 0 339.392 1.135 20 5 EDBDRO C[NH+](C)CC[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000116125416 441796111 /nfs/dbraw/zinc/79/61/11/441796111.db2.gz AHUHFZUZAUPYHP-ZDUSSCGKSA-N 1 0 325.413 1.664 20 5 EDBDRO COc1ccc(OCC[NH+]2CCC(NC(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000173590432 441801382 /nfs/dbraw/zinc/80/13/82/441801382.db2.gz AONVEPJPPZVSKV-UHFFFAOYSA-N 1 0 337.376 1.583 20 5 EDBDRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])CC2)cc1 ZINC000068801090 441855027 /nfs/dbraw/zinc/85/50/27/441855027.db2.gz PTTHXZBHCNBXNX-IRXDYDNUSA-N 1 0 347.415 1.689 20 5 EDBDRO CCc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)cc1[N+](=O)[O-] ZINC000174191839 441900607 /nfs/dbraw/zinc/90/06/07/441900607.db2.gz HADWTLIABIIOKK-OAHLLOKOSA-N 1 0 335.404 1.998 20 5 EDBDRO C[N@H+](CCCn1ccnc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000124364551 441920905 /nfs/dbraw/zinc/92/09/05/441920905.db2.gz GMIQSXMBJIJEDX-HNNXBMFYSA-N 1 0 334.376 1.553 20 5 EDBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)cc1[N+](=O)[O-] ZINC000174028421 441879429 /nfs/dbraw/zinc/87/94/29/441879429.db2.gz RWEFLQDMHAXXIF-OAHLLOKOSA-N 1 0 335.404 1.900 20 5 EDBDRO C[C@H]1C[C@H](N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000123334473 441884487 /nfs/dbraw/zinc/88/44/87/441884487.db2.gz HCHKIESEWCFPQD-XJKSGUPXSA-N 1 0 334.420 1.972 20 5 EDBDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000160467241 441885753 /nfs/dbraw/zinc/88/57/53/441885753.db2.gz HBQHOXNRKNUBIO-CQSZACIVSA-N 1 0 341.795 1.825 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000069129372 441895749 /nfs/dbraw/zinc/89/57/49/441895749.db2.gz WSNCAOAHVGSVKA-JTQLQIEISA-N 1 0 343.405 1.364 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000069139121 441897746 /nfs/dbraw/zinc/89/77/46/441897746.db2.gz RFSYGYWIEHPMGG-NSHDSACASA-N 1 0 331.376 1.933 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000174184617 441899713 /nfs/dbraw/zinc/89/97/13/441899713.db2.gz ILUPUMHHZFDNAP-DZGCQCFKSA-N 1 0 348.403 1.982 20 5 EDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000124665944 441943061 /nfs/dbraw/zinc/94/30/61/441943061.db2.gz WSOYXAYNGQAMRZ-ZDUSSCGKSA-N 1 0 349.391 1.566 20 5 EDBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCC([NH+]2CCCC2)CC1 ZINC000161444533 442001098 /nfs/dbraw/zinc/00/10/98/442001098.db2.gz RXRPXGRFCZEMFA-UHFFFAOYSA-N 1 0 336.396 1.061 20 5 EDBDRO CC[C@@H](C)[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000161957364 442048722 /nfs/dbraw/zinc/04/87/22/442048722.db2.gz SVCFUXVVDBJDJI-VXGBXAGGSA-N 1 0 329.422 1.897 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126672953 442132937 /nfs/dbraw/zinc/13/29/37/442132937.db2.gz KGXUXNLVIFSFHY-JSGCOSHPSA-N 1 0 333.392 1.267 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000151876140 442133701 /nfs/dbraw/zinc/13/37/01/442133701.db2.gz JQVPPXBLZCBQFJ-ZYHUDNBSSA-N 1 0 346.387 1.583 20 5 EDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000127834764 442227998 /nfs/dbraw/zinc/22/79/98/442227998.db2.gz WRHIZTFAHWNKHE-ZDUSSCGKSA-N 1 0 347.419 1.790 20 5 EDBDRO COCC[N@H+](C)CCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000170639596 442239683 /nfs/dbraw/zinc/23/96/83/442239683.db2.gz RKPVNYRPNJXHAW-UHFFFAOYSA-N 1 0 336.392 1.860 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000154453169 442340133 /nfs/dbraw/zinc/34/01/33/442340133.db2.gz ODGZPZYZIXTEMI-GFCCVEGCSA-N 1 0 334.376 1.252 20 5 EDBDRO CCC(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000130620637 442351596 /nfs/dbraw/zinc/35/15/96/442351596.db2.gz GDPMTEZYRHOMRL-ZDUSSCGKSA-N 1 0 348.403 1.914 20 5 EDBDRO Cn1cc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000155009355 442370443 /nfs/dbraw/zinc/37/04/43/442370443.db2.gz GUMQDDRLPGAREY-ZDUSSCGKSA-N 1 0 343.387 1.693 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000172048293 442404038 /nfs/dbraw/zinc/40/40/38/442404038.db2.gz MPDJXXUWNRLJNA-AHICOJMPSA-N 1 0 336.388 1.427 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000172207799 442423974 /nfs/dbraw/zinc/42/39/74/442423974.db2.gz XTFNMKUECUDGJG-LBPRGKRZSA-N 1 0 327.406 1.475 20 5 EDBDRO C[C@H]([NH3+])CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000178646479 442451672 /nfs/dbraw/zinc/45/16/72/442451672.db2.gz KUQCIRKZKHDLBS-QMMMGPOBSA-N 1 0 330.182 1.753 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000191605500 442474890 /nfs/dbraw/zinc/47/48/90/442474890.db2.gz CPECBOHJNZPQRU-CYBMUJFWSA-N 1 0 335.408 1.902 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000178894527 442517980 /nfs/dbraw/zinc/51/79/80/442517980.db2.gz XTUXNKBMQNDINA-ZDUSSCGKSA-N 1 0 339.417 1.819 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000192027689 442573103 /nfs/dbraw/zinc/57/31/03/442573103.db2.gz YWWNALQNTJBBNL-GFCCVEGCSA-N 1 0 343.405 1.399 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000179220887 442599006 /nfs/dbraw/zinc/59/90/06/442599006.db2.gz AOPAMGLSXKJEED-ZDUSSCGKSA-N 1 0 343.387 1.804 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](CCO)Cc1cccnc1 ZINC000182016888 442728411 /nfs/dbraw/zinc/72/84/11/442728411.db2.gz HAJXPQGFYUXZLA-OAHLLOKOSA-N 1 0 347.371 1.224 20 5 EDBDRO C[C@H](CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000182148311 442740045 /nfs/dbraw/zinc/74/00/45/442740045.db2.gz CXSZCPDXPGDHHF-CYBMUJFWSA-N 1 0 348.403 1.914 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1OC ZINC000193517660 442750428 /nfs/dbraw/zinc/75/04/28/442750428.db2.gz VLUNAXQIPGRLOB-JQWIXIFHSA-N 1 0 337.376 1.872 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188687580 442789022 /nfs/dbraw/zinc/78/90/22/442789022.db2.gz LIGUDRXSARDQIY-UHFFFAOYSA-N 1 0 327.340 1.893 20 5 EDBDRO C[N@H+]1C[C@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]2C1 ZINC000193618397 442760071 /nfs/dbraw/zinc/76/00/71/442760071.db2.gz LFWBIOWLFSQNMG-PHIMTYICSA-N 1 0 338.795 1.680 20 5 EDBDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000193647554 442763663 /nfs/dbraw/zinc/76/36/63/442763663.db2.gz KTVUDWMMTTWUSJ-MEDUHNTESA-N 1 0 344.371 1.907 20 5 EDBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000193675822 442766747 /nfs/dbraw/zinc/76/67/47/442766747.db2.gz KEPLLGCPDYSAIV-JTQLQIEISA-N 1 0 340.405 1.116 20 5 EDBDRO COc1cc(NC[C@H](C)N2CC[NH+](C)CC2)c([N+](=O)[O-])cc1F ZINC000268160051 442877646 /nfs/dbraw/zinc/87/76/46/442877646.db2.gz NCRSGSZZLWZDID-NSHDSACASA-N 1 0 326.372 1.790 20 5 EDBDRO COc1cc(OCC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000268177637 442885317 /nfs/dbraw/zinc/88/53/17/442885317.db2.gz KWJUSRXKMHKDDL-SMDDNHRTSA-N 1 0 349.387 1.581 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000194154904 442853757 /nfs/dbraw/zinc/85/37/57/442853757.db2.gz ZUQJFAGJITVMTI-STQMWFEESA-N 1 0 341.433 1.994 20 5 EDBDRO C[C@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000268284404 442931588 /nfs/dbraw/zinc/93/15/88/442931588.db2.gz XEKNHLMJLRZFPB-HZMBPMFUSA-N 1 0 327.406 1.385 20 5 EDBDRO C[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000268299195 442937985 /nfs/dbraw/zinc/93/79/85/442937985.db2.gz WMUQMOAHZUPMSP-JOYOIKCWSA-N 1 0 331.369 1.305 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[C@H](COC)C2)c([N+](=O)[O-])c1 ZINC000265837525 442940201 /nfs/dbraw/zinc/94/02/01/442940201.db2.gz VQRKEJKGJBQUJZ-LBPRGKRZSA-N 1 0 337.376 1.900 20 5 EDBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC[N@@H+]1CCCOCC1 ZINC000189477095 442963493 /nfs/dbraw/zinc/96/34/93/442963493.db2.gz UKAZOKBOYDDIOS-UHFFFAOYSA-N 1 0 346.387 1.457 20 5 EDBDRO C[NH+](C)C[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000265931390 442973963 /nfs/dbraw/zinc/97/39/63/442973963.db2.gz AMCRTYBBTZLBCK-OAHLLOKOSA-N 1 0 335.404 1.661 20 5 EDBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000268495655 443009742 /nfs/dbraw/zinc/00/97/42/443009742.db2.gz SRNSZEXWVWHLPX-UHFFFAOYSA-N 1 0 339.367 1.699 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000266140668 443033452 /nfs/dbraw/zinc/03/34/52/443033452.db2.gz FOHDILILCXSAIJ-TYNCELHUSA-N 1 0 348.403 1.122 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184618983 443049653 /nfs/dbraw/zinc/04/96/53/443049653.db2.gz AYDAWYUFZAFPJE-CQSZACIVSA-N 1 0 341.433 1.841 20 5 EDBDRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000184827429 443082066 /nfs/dbraw/zinc/08/20/66/443082066.db2.gz MPHBBLBABFIJMG-CHWSQXEVSA-N 1 0 345.359 1.779 20 5 EDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000255102213 443084405 /nfs/dbraw/zinc/08/44/05/443084405.db2.gz XANIAJACQFMFPE-YIEVGGLXSA-N 1 0 345.399 1.789 20 5 EDBDRO C[C@H](C[S@](C)=O)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000185103594 443137935 /nfs/dbraw/zinc/13/79/35/443137935.db2.gz NCOIETUKSPPLLL-IWGBLYGRSA-N 1 0 330.406 1.033 20 5 EDBDRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000190686354 443163887 /nfs/dbraw/zinc/16/38/87/443163887.db2.gz IGCYUDDAGRDXFC-NSHDSACASA-N 1 0 327.406 1.527 20 5 EDBDRO COC(=O)CC1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000269047017 443181992 /nfs/dbraw/zinc/18/19/92/443181992.db2.gz OSAIMRWPUPDZNT-UHFFFAOYSA-N 1 0 338.360 1.676 20 5 EDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCc2ccccc2C1 ZINC000266507298 443150278 /nfs/dbraw/zinc/15/02/78/443150278.db2.gz CFZPCSGYZWLGSV-NVXWUHKLSA-N 1 0 330.388 1.642 20 5 EDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000268956767 443158868 /nfs/dbraw/zinc/15/88/68/443158868.db2.gz DOPJPXCPLNWVGX-PBHICJAKSA-N 1 0 346.431 1.894 20 5 EDBDRO CC[NH+](CC)[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000269129944 443207468 /nfs/dbraw/zinc/20/74/68/443207468.db2.gz IFGWULZTUWWQGV-MRXNPFEDSA-N 1 0 345.403 1.991 20 5 EDBDRO COc1cc(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000262741583 443210072 /nfs/dbraw/zinc/21/00/72/443210072.db2.gz JITSEJIKDYSTHO-QWRGUYRKSA-N 1 0 343.405 1.351 20 5 EDBDRO C[C@@H]1C[C@H](C)N(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000397421370 319134824 /nfs/dbraw/zinc/13/48/24/319134824.db2.gz UWOXNBKGLNSNBT-DYEKYZERSA-N 1 0 341.433 1.730 20 5 EDBDRO Cc1cc(NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000411245609 319173606 /nfs/dbraw/zinc/17/36/06/319173606.db2.gz PHBNIAVZKUEKAJ-CQSZACIVSA-N 1 0 334.376 1.298 20 5 EDBDRO CCc1n[nH]c(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C(C)C)c1[N+](=O)[O-] ZINC000185780060 443255881 /nfs/dbraw/zinc/25/58/81/443255881.db2.gz GWJFLFCPUZHJFU-NWDGAFQWSA-N 1 0 335.408 1.968 20 5 EDBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414660564 319338030 /nfs/dbraw/zinc/33/80/30/319338030.db2.gz OPANGUANDBBRLV-AWEZNQCLSA-N 1 0 349.391 1.446 20 5 EDBDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000269345970 443288121 /nfs/dbraw/zinc/28/81/21/443288121.db2.gz IGPJSKTWUATWQB-SNVBAGLBSA-N 1 0 331.369 1.449 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185863351 443270892 /nfs/dbraw/zinc/27/08/92/443270892.db2.gz OADDAYUQWLKSFH-GFCCVEGCSA-N 1 0 327.406 1.557 20 5 EDBDRO C[NH+](C)CCc1ccc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000264466906 443301931 /nfs/dbraw/zinc/30/19/31/443301931.db2.gz MAUNGKFPFPCHAB-UHFFFAOYSA-N 1 0 329.360 1.936 20 5 EDBDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000282391682 443325039 /nfs/dbraw/zinc/32/50/39/443325039.db2.gz OZTTVVJVJDAZTN-UFBFGSQYSA-N 1 0 342.193 1.972 20 5 EDBDRO C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@@H+]1CC(C)(C)O ZINC000278447015 443334339 /nfs/dbraw/zinc/33/43/39/443334339.db2.gz RHQIIGAQBCHCQV-GFCCVEGCSA-N 1 0 334.420 1.844 20 5 EDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418557881 319504702 /nfs/dbraw/zinc/50/47/02/319504702.db2.gz JWSQKJTYKHOKSU-CJNGLKHVSA-N 1 0 347.419 1.567 20 5 EDBDRO Cc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000269669583 443387993 /nfs/dbraw/zinc/38/79/93/443387993.db2.gz JZQXJZXXMXPACP-WCQYABFASA-N 1 0 333.392 1.715 20 5 EDBDRO Cc1nc(F)ccc1C[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000278492663 443346466 /nfs/dbraw/zinc/34/64/66/443346466.db2.gz MESKSFBMYRYOGI-GOEBONIOSA-N 1 0 335.335 1.621 20 5 EDBDRO Cc1c(NC(=O)CC[NH2+]C2(CO)CCOCC2)cccc1[N+](=O)[O-] ZINC000264617622 443349875 /nfs/dbraw/zinc/34/98/75/443349875.db2.gz MPEIVHDZBKLPKU-UHFFFAOYSA-N 1 0 337.376 1.363 20 5 EDBDRO COC[C@@](C)(CCO)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000267318049 443416734 /nfs/dbraw/zinc/41/67/34/443416734.db2.gz DRDVQOFYBOMYKC-OAHLLOKOSA-N 1 0 326.349 1.338 20 5 EDBDRO CC[C@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CC[N@@H+]1C[C@H](C)O ZINC000264788948 443425925 /nfs/dbraw/zinc/42/59/25/443425925.db2.gz RWOVWOKLEHYABB-QWRGUYRKSA-N 1 0 335.364 1.412 20 5 EDBDRO Cc1ccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000278757491 443427250 /nfs/dbraw/zinc/42/72/50/443427250.db2.gz XNCRZTOPUUUDJW-STQMWFEESA-N 1 0 336.392 1.822 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000267256780 443395576 /nfs/dbraw/zinc/39/55/76/443395576.db2.gz FLSNUOSZSYZSQI-NWDGAFQWSA-N 1 0 349.387 1.969 20 5 EDBDRO COC(=O)c1cc(C(=O)NCC2(C)CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000423530443 319781939 /nfs/dbraw/zinc/78/19/39/319781939.db2.gz WWBHHBZXJZKGQS-UHFFFAOYSA-N 1 0 335.360 1.501 20 5 EDBDRO C[C@@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000273020567 443520866 /nfs/dbraw/zinc/52/08/66/443520866.db2.gz BWVULDWKEXHVMH-IUODEOHRSA-N 1 0 341.433 1.250 20 5 EDBDRO Cc1nc(CC[N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])no1 ZINC000272947503 443497896 /nfs/dbraw/zinc/49/78/96/443497896.db2.gz PCRYNGFIRIVOTF-GFCCVEGCSA-N 1 0 336.348 1.200 20 5 EDBDRO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000283399936 443623408 /nfs/dbraw/zinc/62/34/08/443623408.db2.gz FINZEHWGBDTQNM-AWEZNQCLSA-N 1 0 328.376 1.675 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279778518 443626869 /nfs/dbraw/zinc/62/68/69/443626869.db2.gz NMECKZCVGGQBCS-CQSZACIVSA-N 1 0 337.376 1.635 20 5 EDBDRO CS(=O)(=O)NC[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283569924 443663240 /nfs/dbraw/zinc/66/32/40/443663240.db2.gz OJVHFHWWCDDGBY-LBPRGKRZSA-N 1 0 345.396 1.638 20 5 EDBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000440073348 320061411 /nfs/dbraw/zinc/06/14/11/320061411.db2.gz DTDJVOVSCDWELP-LLVKDONJSA-N 1 0 345.421 1.612 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000440349135 320073117 /nfs/dbraw/zinc/07/31/17/320073117.db2.gz MLEOKNUDTAPIOM-NWDGAFQWSA-N 1 0 327.406 1.570 20 5 EDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000449709653 320200704 /nfs/dbraw/zinc/20/07/04/320200704.db2.gz ZVVOSGGIUODKEK-OAHLLOKOSA-N 1 0 336.392 1.282 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000453013752 320258082 /nfs/dbraw/zinc/25/80/82/320258082.db2.gz TZZKRSMGZOMJNW-HIFRSBDPSA-N 1 0 331.372 1.720 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000492783979 320386178 /nfs/dbraw/zinc/38/61/78/320386178.db2.gz RTBPRUORDYJWCB-CFSAUIFESA-N 1 0 349.362 1.679 20 5 EDBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280225072 443678043 /nfs/dbraw/zinc/67/80/43/443678043.db2.gz APQYRZNFAMXSHZ-MGPLVRAMSA-N 1 0 345.359 1.903 20 5 EDBDRO Cc1cccc(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000518366150 320456060 /nfs/dbraw/zinc/45/60/60/320456060.db2.gz UZXWVJDIXTVYHV-HNNXBMFYSA-N 1 0 331.372 1.870 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000276473025 443717883 /nfs/dbraw/zinc/71/78/83/443717883.db2.gz ZEOCUOGRTHKLNN-CYBMUJFWSA-N 1 0 335.408 1.579 20 5 EDBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000276569341 443750390 /nfs/dbraw/zinc/75/03/90/443750390.db2.gz HHSNNZFSFYRWST-AWEZNQCLSA-N 1 0 343.387 1.895 20 5 EDBDRO CN(C(=O)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000281234221 443855420 /nfs/dbraw/zinc/85/54/20/443855420.db2.gz UFRLUCCGVLMKIY-CQSZACIVSA-N 1 0 343.387 1.776 20 5 EDBDRO Cc1c([C@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000277110392 443915379 /nfs/dbraw/zinc/91/53/79/443915379.db2.gz MJIXKIXUGQPRHQ-LBPRGKRZSA-N 1 0 344.437 1.386 20 5 EDBDRO C[N@@H+]1CCN(CCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1(C)C ZINC000281609404 443957860 /nfs/dbraw/zinc/95/78/60/443957860.db2.gz IZUOSMFEWXCSAK-UHFFFAOYSA-N 1 0 332.408 1.909 20 5 EDBDRO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1NC(=O)OC(C)(C)C ZINC000277727271 444033915 /nfs/dbraw/zinc/03/39/15/444033915.db2.gz JQHHENOSYWOGDZ-RYUDHWBXSA-N 1 0 339.396 1.636 20 5 EDBDRO COCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000277666722 444023070 /nfs/dbraw/zinc/02/30/70/444023070.db2.gz XCSIEEJFGAKTQH-UHFFFAOYSA-N 1 0 337.376 1.444 20 5 EDBDRO CCC(CC)c1cc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)on1 ZINC000564853103 321151463 /nfs/dbraw/zinc/15/14/63/321151463.db2.gz AJXXXEGVGRVHTM-CYBMUJFWSA-N 1 0 337.380 1.834 20 5 EDBDRO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000565190148 321176018 /nfs/dbraw/zinc/17/60/18/321176018.db2.gz UXUOYBTXBIWMGV-STQMWFEESA-N 1 0 333.392 1.344 20 5 EDBDRO C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000565698550 321198246 /nfs/dbraw/zinc/19/82/46/321198246.db2.gz HDETZQFIPANSQT-XJKSGUPXSA-N 1 0 335.404 1.661 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)c1 ZINC000568970666 321312631 /nfs/dbraw/zinc/31/26/31/321312631.db2.gz AASADZRUQSYCPH-QGZVFWFLSA-N 1 0 349.387 1.180 20 5 EDBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000301261542 444158365 /nfs/dbraw/zinc/15/83/65/444158365.db2.gz GJXUWQSWQMVYAJ-GFCCVEGCSA-N 1 0 339.827 1.859 20 5 EDBDRO COCCO[C@@H]1C[C@H](CO)CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000278268526 444124202 /nfs/dbraw/zinc/12/42/02/444124202.db2.gz IZQGGPACRHAEQZ-WCQYABFASA-N 1 0 330.406 1.502 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000302160682 444206728 /nfs/dbraw/zinc/20/67/28/444206728.db2.gz GXUKZQVALDRGIV-DGCLKSJQSA-N 1 0 328.376 1.899 20 5 EDBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000289861013 444212147 /nfs/dbraw/zinc/21/21/47/444212147.db2.gz VQMHRYPACFTFBU-UHFFFAOYSA-N 1 0 337.424 1.942 20 5 EDBDRO CCc1ccc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000286011360 444175739 /nfs/dbraw/zinc/17/57/39/444175739.db2.gz ZOKFLBSABZMWLP-HOTGVXAUSA-N 1 0 333.388 1.702 20 5 EDBDRO C[NH+](C)C1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000301769846 444189800 /nfs/dbraw/zinc/18/98/00/444189800.db2.gz DASSXWULEYZTLQ-UHFFFAOYSA-N 1 0 327.406 1.529 20 5 EDBDRO Cc1cc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302040366 444201829 /nfs/dbraw/zinc/20/18/29/444201829.db2.gz WEFNGADLJYNRIP-HOTGVXAUSA-N 1 0 328.372 1.971 20 5 EDBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290252227 444259355 /nfs/dbraw/zinc/25/93/55/444259355.db2.gz WNGURNKOJSRUDJ-WDEREUQCSA-N 1 0 342.355 1.530 20 5 EDBDRO C[C@H]1CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000305759235 444278369 /nfs/dbraw/zinc/27/83/69/444278369.db2.gz IADAAQHREOSWCR-SMDDNHRTSA-N 1 0 335.360 1.596 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCCO1 ZINC000577952107 321698301 /nfs/dbraw/zinc/69/83/01/321698301.db2.gz QUHZNVWNNNYZRS-LLVKDONJSA-N 1 0 330.344 1.333 20 5 EDBDRO CCC[N@H+](CC)C[C@@H](C)Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000290618254 444302077 /nfs/dbraw/zinc/30/20/77/444302077.db2.gz DEDMNALZNHMYRM-LLVKDONJSA-N 1 0 344.437 1.775 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC[C@@H]1[NH3+] ZINC000322366504 444339768 /nfs/dbraw/zinc/33/97/68/444339768.db2.gz COLROBVVBIDMOR-JSGCOSHPSA-N 1 0 341.433 1.960 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000322420034 444339800 /nfs/dbraw/zinc/33/98/00/444339800.db2.gz LLKOVMIHOOOQHZ-PWSUYJOCSA-N 1 0 343.405 1.351 20 5 EDBDRO C[C@@H]1CCC[C@](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)(N(C)C)C1 ZINC000324685278 444356807 /nfs/dbraw/zinc/35/68/07/444356807.db2.gz QPKDLUZHTDUAQY-BMFZPTHFSA-N 1 0 339.440 1.252 20 5 EDBDRO C[N@@H+]1CCN(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1(C)C ZINC000337714059 444369023 /nfs/dbraw/zinc/36/90/23/444369023.db2.gz GKQZQVXZGRIBHV-UHFFFAOYSA-N 1 0 338.383 1.490 20 5 EDBDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000578482952 321780776 /nfs/dbraw/zinc/78/07/76/321780776.db2.gz YNLJMRIJERMODP-YNEHKIRRSA-N 1 0 344.437 1.688 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331166128 444427132 /nfs/dbraw/zinc/42/71/32/444427132.db2.gz YEMMXPUCSUWZRH-JTQLQIEISA-N 1 0 327.331 1.968 20 5 EDBDRO O=C(CC[NH2+]C[C@@H](CO)[C@H]1CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000579474640 321939964 /nfs/dbraw/zinc/93/99/64/321939964.db2.gz GUINELWFBWBUAJ-STQMWFEESA-N 1 0 337.376 1.158 20 5 EDBDRO Cn1c(C(=O)NCc2cccc(OCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000340554393 444437096 /nfs/dbraw/zinc/43/70/96/444437096.db2.gz RNZFCVGVOTVMLH-UHFFFAOYSA-N 1 0 346.387 1.804 20 5 EDBDRO Cc1nnc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000579701859 321963034 /nfs/dbraw/zinc/96/30/34/321963034.db2.gz JHSTVGQYNHQHKH-UHFFFAOYSA-N 1 0 335.389 1.916 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000340701355 444483725 /nfs/dbraw/zinc/48/37/25/444483725.db2.gz NRXZNGHYSSFXDK-UHFFFAOYSA-N 1 0 337.420 1.957 20 5 EDBDRO Cc1nccn1C[C@H](C)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580423249 322048732 /nfs/dbraw/zinc/04/87/32/322048732.db2.gz KVOLIIGSEPQJRU-CJNGLKHVSA-N 1 0 348.403 1.765 20 5 EDBDRO C[C@H]([NH2+]CC(=O)N(C)Cc1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000581865778 322225035 /nfs/dbraw/zinc/22/50/35/322225035.db2.gz OTKHIGWCYQPNBY-LBPRGKRZSA-N 1 0 331.376 1.638 20 5 EDBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000338237087 444580244 /nfs/dbraw/zinc/58/02/44/444580244.db2.gz RGQLZAVKEJPWQY-LBPRGKRZSA-N 1 0 327.406 1.308 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)c1 ZINC000343880342 444643075 /nfs/dbraw/zinc/64/30/75/444643075.db2.gz QWHFXPUXXNVIBH-STQMWFEESA-N 1 0 337.376 1.537 20 5 EDBDRO CC[N@H+](CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(C)C ZINC000338716881 444818385 /nfs/dbraw/zinc/81/83/85/444818385.db2.gz GIDANYHTJVJQMA-UHFFFAOYSA-N 1 0 330.410 1.384 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000342760419 444853187 /nfs/dbraw/zinc/85/31/87/444853187.db2.gz ZRKAPAYXQDTDRS-KBPBESRZSA-N 1 0 346.387 1.937 20 5 EDBDRO CNC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000341548330 444888206 /nfs/dbraw/zinc/88/82/06/444888206.db2.gz UUTXFJOXVFEDLP-LLVKDONJSA-N 1 0 329.360 1.959 20 5 EDBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@H](C)C1 ZINC000344414606 444951663 /nfs/dbraw/zinc/95/16/63/444951663.db2.gz FKCYMSKQKPJEND-GHMZBOCLSA-N 1 0 335.360 1.878 20 5 EDBDRO CO[C@H]1C[C@H](CN(C)C(=O)COc2ccc([N+](=O)[O-])cc2)[N@H+](C)C1 ZINC000344496113 445011249 /nfs/dbraw/zinc/01/12/49/445011249.db2.gz LFGSIVICPTZFSD-HIFRSBDPSA-N 1 0 337.376 1.151 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1C[C@H](OC)C[N@H+]1C ZINC000344543355 445047169 /nfs/dbraw/zinc/04/71/69/445047169.db2.gz VXWDFMMPFIXJJZ-OLZOCXBDSA-N 1 0 337.376 1.395 20 5 EDBDRO COc1ccc(OCC[N@@H+]2C[C@@H](OC)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000344669284 445116975 /nfs/dbraw/zinc/11/69/75/445116975.db2.gz BHUSEUACFOMGKQ-YPMHNXCESA-N 1 0 326.349 1.064 20 5 EDBDRO C[N@H+]1CC=C(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000343258817 445164583 /nfs/dbraw/zinc/16/45/83/445164583.db2.gz WJFZOEZNFOKOSR-UHFFFAOYSA-N 1 0 328.372 1.928 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000343430097 445221238 /nfs/dbraw/zinc/22/12/38/445221238.db2.gz JFIZWDODRIMALG-ZYHUDNBSSA-N 1 0 337.376 1.825 20 5 EDBDRO NC(=O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343518911 445237480 /nfs/dbraw/zinc/23/74/80/445237480.db2.gz CBFJSHLRCQLPLS-STQMWFEESA-N 1 0 337.376 1.064 20 5 EDBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000343579383 445249435 /nfs/dbraw/zinc/24/94/35/445249435.db2.gz KONWAZAYSBQKSG-BETUJISGSA-N 1 0 336.392 1.136 20 5 EDBDRO COC(=O)C[C@@](C)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccn1 ZINC000351813711 445330296 /nfs/dbraw/zinc/33/02/96/445330296.db2.gz IBSZMICJNUHKFT-OAHLLOKOSA-N 1 0 333.348 1.254 20 5 EDBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])c1OC ZINC000357015761 445377979 /nfs/dbraw/zinc/37/79/79/445377979.db2.gz DMGLSVNZWTXDBP-STQMWFEESA-N 1 0 349.387 1.969 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357077314 445411414 /nfs/dbraw/zinc/41/14/14/445411414.db2.gz ARPYMJWFPIRGNM-STQMWFEESA-N 1 0 346.387 1.434 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCOC[C@@H]2c2ccccc2)c1 ZINC000362431960 445378487 /nfs/dbraw/zinc/37/84/87/445378487.db2.gz WRAAJGZQJTUUGM-HZPDHXFCSA-N 1 0 332.360 1.226 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c1OC ZINC000357044337 445391936 /nfs/dbraw/zinc/39/19/36/445391936.db2.gz HJGVULVLIWBHRN-LLVKDONJSA-N 1 0 335.360 1.579 20 5 EDBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCOC(C)(C)C1 ZINC000351949551 445394686 /nfs/dbraw/zinc/39/46/86/445394686.db2.gz QFNNSVKLGAQDDU-TZMCWYRMSA-N 1 0 326.397 1.432 20 5 EDBDRO Cn1nccc1N1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000359809917 445439839 /nfs/dbraw/zinc/43/98/39/445439839.db2.gz UHJSNMDBPLHYTP-CQSZACIVSA-N 1 0 329.360 1.614 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2C[C@@H]2C2CC[NH2+]CC2)c1 ZINC000360005717 445524370 /nfs/dbraw/zinc/52/43/70/445524370.db2.gz JKQWLGAJZOLQOD-KGLIPLIRSA-N 1 0 325.390 1.261 20 5 EDBDRO C[NH+](C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccc(F)cc1 ZINC000360208070 445629052 /nfs/dbraw/zinc/62/90/52/445629052.db2.gz JMQWAZJMDUTEKY-CQSZACIVSA-N 1 0 347.350 1.744 20 5 EDBDRO COc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c1OC ZINC000356160553 445655018 /nfs/dbraw/zinc/65/50/18/445655018.db2.gz HTFABWJFHARUPS-CYBMUJFWSA-N 1 0 349.387 1.921 20 5 EDBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000363218043 445726193 /nfs/dbraw/zinc/72/61/93/445726193.db2.gz FAGAWTQTBGQIPM-LBPRGKRZSA-N 1 0 338.433 1.508 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000353772689 445748261 /nfs/dbraw/zinc/74/82/61/445748261.db2.gz WBLVYZXCXIETMX-GHMZBOCLSA-N 1 0 326.349 1.253 20 5 EDBDRO CC(C)[NH+](CCN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000356394352 445768582 /nfs/dbraw/zinc/76/85/82/445768582.db2.gz SICDYGZFYIFUHC-HNNXBMFYSA-N 1 0 327.429 1.203 20 5 EDBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356489547 445818854 /nfs/dbraw/zinc/81/88/54/445818854.db2.gz ZPAFHIVGKPAONS-XQQFMLRXSA-N 1 0 335.408 1.806 20 5 EDBDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000358790371 445776224 /nfs/dbraw/zinc/77/62/24/445776224.db2.gz JMBPVOWXZUPXRR-KCXAZCMYSA-N 1 0 331.376 1.630 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000356478880 445813369 /nfs/dbraw/zinc/81/33/69/445813369.db2.gz MLYBUGGVYGXMHH-LBPRGKRZSA-N 1 0 349.416 1.957 20 5 EDBDRO Cc1c(CC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000361702074 445885415 /nfs/dbraw/zinc/88/54/15/445885415.db2.gz UFKVFDDOYWRHEY-HUUCEWRRSA-N 1 0 333.388 1.425 20 5 EDBDRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000361634398 445859509 /nfs/dbraw/zinc/85/95/09/445859509.db2.gz CSHAJPDORISCKK-JKSUJKDBSA-N 1 0 333.388 1.395 20 5 EDBDRO Cc1cc(N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000364381099 445916588 /nfs/dbraw/zinc/91/65/88/445916588.db2.gz IXYPNGSMEJCGIU-CQSZACIVSA-N 1 0 333.436 1.903 20 5 EDBDRO COCC[NH2+]C1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000583388403 326064383 /nfs/dbraw/zinc/06/43/83/326064383.db2.gz DMTJUZNMNSENHT-UHFFFAOYSA-N 1 0 337.376 1.444 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H]1CN(C2CC2)CCO1 ZINC000366159044 446049925 /nfs/dbraw/zinc/04/99/25/446049925.db2.gz QWADTICOJRMHAE-HNNXBMFYSA-N 1 0 348.403 1.300 20 5 EDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000583600462 326101065 /nfs/dbraw/zinc/10/10/65/326101065.db2.gz ISINEQGKBKTMGN-KRWDZBQOSA-N 1 0 348.403 1.711 20 5 EDBDRO COCC[C@]1([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCOC1 ZINC000584093008 326196703 /nfs/dbraw/zinc/19/67/03/326196703.db2.gz PMLBAXSKIPLIIC-INIZCTEOSA-N 1 0 337.376 1.627 20 5 EDBDRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351495418 446099413 /nfs/dbraw/zinc/09/94/13/446099413.db2.gz PQAORYHVJIQRJD-JTQLQIEISA-N 1 0 340.355 1.519 20 5 EDBDRO Cc1cc([C@@H]2CCC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)[nH]n1 ZINC000365395158 446185897 /nfs/dbraw/zinc/18/58/97/446185897.db2.gz SYHLLFIQVZVRER-OCCSQVGLSA-N 1 0 334.380 1.063 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000366448989 446220606 /nfs/dbraw/zinc/22/06/06/446220606.db2.gz NGONQMVBKMHFCJ-ZIAGYGMSSA-N 1 0 333.388 1.964 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)c([N+](=O)[O-])cc1OC ZINC000366467670 446226195 /nfs/dbraw/zinc/22/61/95/446226195.db2.gz COMBYEUKSYBJME-CQSZACIVSA-N 1 0 335.360 1.484 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000370366054 446248896 /nfs/dbraw/zinc/24/88/96/446248896.db2.gz IRVFJKTXYNXQMS-GOEBONIOSA-N 1 0 332.404 1.873 20 5 EDBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000366576827 446265683 /nfs/dbraw/zinc/26/56/83/446265683.db2.gz XEILHYMLRROILL-HNNXBMFYSA-N 1 0 341.371 1.652 20 5 EDBDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000370425713 446272717 /nfs/dbraw/zinc/27/27/17/446272717.db2.gz UHWIZARCJYFGLW-KRWDZBQOSA-N 1 0 346.431 1.835 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@]1(N2CCOCC2)CCCOC1 ZINC000370556600 446331586 /nfs/dbraw/zinc/33/15/86/446331586.db2.gz LJLZWNVHNKNZNN-QGZVFWFLSA-N 1 0 335.404 1.566 20 5 EDBDRO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)c2ccccc2O1 ZINC000370582036 446342354 /nfs/dbraw/zinc/34/23/54/446342354.db2.gz IAPKQAJHFOOJFV-CYBMUJFWSA-N 1 0 342.355 1.959 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC[C@H]2Cn2ccnn2)c1 ZINC000370706406 446395223 /nfs/dbraw/zinc/39/52/23/446395223.db2.gz BESFOPQQZXPPQU-JKSUJKDBSA-N 1 0 331.376 1.774 20 5 EDBDRO COCC1(CNc2nccc3cc([N+](=O)[O-])ccc32)CC[NH2+]CC1 ZINC000420246881 446430093 /nfs/dbraw/zinc/43/00/93/446430093.db2.gz SYFRPPOTEFWSHF-UHFFFAOYSA-N 1 0 330.388 2.571 20 5 EDBDRO Cc1cc(NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000420248507 446430108 /nfs/dbraw/zinc/43/01/08/446430108.db2.gz WJUWDFHGLDDSOI-LLVKDONJSA-N 1 0 333.314 1.546 20 5 EDBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000420249336 446431839 /nfs/dbraw/zinc/43/18/39/446431839.db2.gz RPMMXIPOUBNHHF-SNVBAGLBSA-N 1 0 341.799 1.467 20 5 EDBDRO CN(CC(C)(C)C[NH3+])C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418081774 446434240 /nfs/dbraw/zinc/43/42/40/446434240.db2.gz HGMIUUUYXFAMBI-UHFFFAOYSA-N 1 0 334.380 1.597 20 5 EDBDRO CC1(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[NH2+]CC1 ZINC000418085442 446436088 /nfs/dbraw/zinc/43/60/88/446436088.db2.gz VLZCCTCXJVORKY-UHFFFAOYSA-N 1 0 332.364 1.412 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420263271 446437645 /nfs/dbraw/zinc/43/76/45/446437645.db2.gz BSHLCXLZEVHABG-ZDUSSCGKSA-N 1 0 349.387 1.573 20 5 EDBDRO CCc1ccccc1[C@@H]([NH3+])CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000420289649 446454675 /nfs/dbraw/zinc/45/46/75/446454675.db2.gz ZWNYBVASCDCWJI-AWEZNQCLSA-N 1 0 329.360 1.763 20 5 EDBDRO CO[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000418225977 446465263 /nfs/dbraw/zinc/46/52/63/446465263.db2.gz ANVLYUABBVAPMS-NILFDRSVSA-N 1 0 336.392 1.804 20 5 EDBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1c(Cl)cccc1[N+](=O)[O-] ZINC000452800576 446475631 /nfs/dbraw/zinc/47/56/31/446475631.db2.gz RRMUJLOIVHPTFM-NSHDSACASA-N 1 0 341.795 1.825 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000420315265 446479754 /nfs/dbraw/zinc/47/97/54/446479754.db2.gz WTSZJNXBSVLALT-GOEBONIOSA-N 1 0 346.431 1.860 20 5 EDBDRO C[C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C[NH3+])C1 ZINC000420342381 446514171 /nfs/dbraw/zinc/51/41/71/446514171.db2.gz QSWZYRVUIFKXAL-SWLSCSKDSA-N 1 0 332.404 1.543 20 5 EDBDRO [NH3+][C@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000418491877 446563898 /nfs/dbraw/zinc/56/38/98/446563898.db2.gz SWKVHNHHLXEKBF-MRXNPFEDSA-N 1 0 348.403 1.885 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420349439 446525508 /nfs/dbraw/zinc/52/55/08/446525508.db2.gz OVZVCLJMDHHIGH-BETUJISGSA-N 1 0 348.403 1.758 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000375042368 446537359 /nfs/dbraw/zinc/53/73/59/446537359.db2.gz SHQCEVZKVLLZLB-OCCSQVGLSA-N 1 0 339.417 1.618 20 5 EDBDRO O=C1[C@H](N2CCC[C@@]3(CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420360603 446541240 /nfs/dbraw/zinc/54/12/40/446541240.db2.gz GJZKOMOPWFYKNE-AEFFLSMTSA-N 1 0 344.415 1.776 20 5 EDBDRO O=C(CC[NH2+][C@@H](CO)C1CCOCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411506405 446575451 /nfs/dbraw/zinc/57/54/51/446575451.db2.gz PSPONOBAYNITRO-HNNXBMFYSA-N 1 0 337.376 1.301 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H](C2CC2)[NH+](C)C)c1F ZINC000411511257 446577720 /nfs/dbraw/zinc/57/77/20/446577720.db2.gz IIBXJDJNFMWRLD-ZDUSSCGKSA-N 1 0 339.367 1.741 20 5 EDBDRO C[C@@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000420416424 446589947 /nfs/dbraw/zinc/58/99/47/446589947.db2.gz CMJAJWIGIOGEPV-BXUZGUMPSA-N 1 0 327.406 1.484 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418556261 446593420 /nfs/dbraw/zinc/59/34/20/446593420.db2.gz FCPIIBZWVQMNQI-RISCZKNCSA-N 1 0 334.376 1.497 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[NH2+]1 ZINC000418593243 446606856 /nfs/dbraw/zinc/60/68/56/446606856.db2.gz DRNIOUPYMODXKH-KBPBESRZSA-N 1 0 347.419 1.567 20 5 EDBDRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000420454687 446632657 /nfs/dbraw/zinc/63/26/57/446632657.db2.gz WOADPPBRQURPLE-IUCAKERBSA-N 1 0 333.797 1.654 20 5 EDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418776279 446693558 /nfs/dbraw/zinc/69/35/58/446693558.db2.gz GBFRLMVFZCKGNS-DOMZBBRYSA-N 1 0 348.403 1.373 20 5 EDBDRO CC[C@@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000420592533 446695056 /nfs/dbraw/zinc/69/50/56/446695056.db2.gz AZLPRMWCVQKULL-GFCCVEGCSA-N 1 0 336.392 1.241 20 5 EDBDRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418778372 446697837 /nfs/dbraw/zinc/69/78/37/446697837.db2.gz IQMTWAZAKMGQKX-VXGBXAGGSA-N 1 0 348.403 1.358 20 5 EDBDRO O=C(CC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)NC1CCCC1 ZINC000375405623 446778176 /nfs/dbraw/zinc/77/81/76/446778176.db2.gz RUBAQACVPXYXFS-AWEZNQCLSA-N 1 0 335.408 1.877 20 5 EDBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000412068206 446829954 /nfs/dbraw/zinc/82/99/54/446829954.db2.gz HZKODXDQZFVHCD-HZSPNIEDSA-N 1 0 340.424 1.724 20 5 EDBDRO C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000454493670 446893287 /nfs/dbraw/zinc/89/32/87/446893287.db2.gz VWFCFZQDJCDWNE-WFASDCNBSA-N 1 0 335.408 1.201 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000419152086 446968508 /nfs/dbraw/zinc/96/85/08/446968508.db2.gz NZPONYSETBNLGY-OLZOCXBDSA-N 1 0 348.403 1.230 20 5 EDBDRO Cc1nn(CCC(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000368658577 447011233 /nfs/dbraw/zinc/01/12/33/447011233.db2.gz MDXXJNUBZPAKMF-WFASDCNBSA-N 1 0 349.435 1.883 20 5 EDBDRO CC[C@@H](NC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1)c1cccc([N+](=O)[O-])c1 ZINC000419161125 446977361 /nfs/dbraw/zinc/97/73/61/446977361.db2.gz IFKNOZWQMWYHKR-SWLSCSKDSA-N 1 0 348.403 1.230 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N1CC[C@H](C[NH2+]C)C1)c1cccc([N+](=O)[O-])c1 ZINC000419161123 446977875 /nfs/dbraw/zinc/97/78/75/446977875.db2.gz IFKNOZWQMWYHKR-DOMZBBRYSA-N 1 0 348.403 1.230 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000419176361 446992191 /nfs/dbraw/zinc/99/21/91/446992191.db2.gz YYECRXVWKTZAHZ-JMSVASOKSA-N 1 0 348.403 1.371 20 5 EDBDRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372478035 447074729 /nfs/dbraw/zinc/07/47/29/447074729.db2.gz NBJIGUKLCSMQBB-HIFRSBDPSA-N 1 0 335.408 1.829 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(CC(N)=O)CC1 ZINC000421346660 447138864 /nfs/dbraw/zinc/13/88/64/447138864.db2.gz ABHPRMRIDVBZJT-NSHDSACASA-N 1 0 334.376 1.557 20 5 EDBDRO CC[N@@H+]1CC[C@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000413485815 447197632 /nfs/dbraw/zinc/19/76/32/447197632.db2.gz IHEITGBHRMOJBU-JTQLQIEISA-N 1 0 332.364 1.365 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000421701858 447222966 /nfs/dbraw/zinc/22/29/66/447222966.db2.gz IPCRBZWMVDTADE-OAHLLOKOSA-N 1 0 343.387 1.947 20 5 EDBDRO CNc1nc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000456036877 447287658 /nfs/dbraw/zinc/28/76/58/447287658.db2.gz KNMRDPLDTDIFNN-LBPRGKRZSA-N 1 0 333.392 1.778 20 5 EDBDRO C[C@@H](CO)[N@@H+]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372754544 447270621 /nfs/dbraw/zinc/27/06/21/447270621.db2.gz ZFGNLOGKMLMIMA-HNNXBMFYSA-N 1 0 337.420 1.752 20 5 EDBDRO Cc1nc(NC2CC[NH+](CCC(=O)N(C)C)CC2)ncc1[N+](=O)[O-] ZINC000450330127 447457690 /nfs/dbraw/zinc/45/76/90/447457690.db2.gz SKNXDWQCEXUUKH-UHFFFAOYSA-N 1 0 336.396 1.048 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])C[C@@H]21 ZINC000450797095 447580757 /nfs/dbraw/zinc/58/07/57/447580757.db2.gz TUUTWOAQQSFJKR-WBMJQRKESA-N 1 0 330.388 1.627 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000416569483 447651794 /nfs/dbraw/zinc/65/17/94/447651794.db2.gz YLGAPPVDDTZYPI-CYBMUJFWSA-N 1 0 341.433 1.913 20 5 EDBDRO COc1cc(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)ccc1[N+](=O)[O-] ZINC000450892380 447606910 /nfs/dbraw/zinc/60/69/10/447606910.db2.gz NTQBKOWXTAWXMF-ZDUSSCGKSA-N 1 0 348.403 1.394 20 5 EDBDRO COC(=O)Cc1ccc(NCCCN2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000420123923 447617155 /nfs/dbraw/zinc/61/71/55/447617155.db2.gz ODMURUZYSCHCQX-UHFFFAOYSA-N 1 0 336.392 1.018 20 5 EDBDRO CN(C)CC(C)(C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000459547426 447702650 /nfs/dbraw/zinc/70/26/50/447702650.db2.gz JJVARKIDQRCLLV-UHFFFAOYSA-N 1 0 336.392 1.823 20 5 EDBDRO C[C@@H]1C[C@H](C[NH3+])CN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000420222230 447676187 /nfs/dbraw/zinc/67/61/87/447676187.db2.gz WBQMBDSNWVTRPD-VXGBXAGGSA-N 1 0 343.387 1.733 20 5 EDBDRO O=C1[C@H](N2CCC3(CC[NH2+]3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000422632722 447678948 /nfs/dbraw/zinc/67/89/48/447678948.db2.gz HHOATRHVIVSSPP-OAHLLOKOSA-N 1 0 330.388 1.528 20 5 EDBDRO CC1(C)CCC[NH2+][C@@H]1CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000420236456 447681619 /nfs/dbraw/zinc/68/16/19/447681619.db2.gz FALXKQHNKHLLGB-CYBMUJFWSA-N 1 0 342.421 1.432 20 5 EDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H](CC[NH3+])C2)s1 ZINC000420239465 447682601 /nfs/dbraw/zinc/68/26/01/447682601.db2.gz IOSPSVSAAQZLPK-SECBINFHSA-N 1 0 333.435 1.625 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@](O)(CO)C3)o2)c1 ZINC000459634615 447727556 /nfs/dbraw/zinc/72/75/56/447727556.db2.gz OOJPUHMQNFGSBE-KRWDZBQOSA-N 1 0 347.371 1.612 20 5 EDBDRO O=[N+]([O-])c1cc(C[NH2+]C2(CO)CCSCC2)c2c(c1)COCO2 ZINC000459724874 447753603 /nfs/dbraw/zinc/75/36/03/447753603.db2.gz KLVAKPBYMOJXKV-UHFFFAOYSA-N 1 0 340.401 1.809 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000487972011 447839871 /nfs/dbraw/zinc/83/98/71/447839871.db2.gz LKLMJYPERNHDTJ-UHFFFAOYSA-N 1 0 331.420 1.860 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(NC[C@H](O)C[NH+]3CCCCC3)n2)cc1 ZINC000486967681 447826983 /nfs/dbraw/zinc/82/69/83/447826983.db2.gz NAKQJKWSASHEQK-AWEZNQCLSA-N 1 0 347.375 1.904 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000576040417 447957438 /nfs/dbraw/zinc/95/74/38/447957438.db2.gz FAUJFBZUAFDNLK-JKSUJKDBSA-N 1 0 346.383 1.528 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCSCCCO)n1 ZINC000576784753 448138247 /nfs/dbraw/zinc/13/82/47/448138247.db2.gz QVGIVONXKTYGID-QWHCGFSZSA-N 1 0 328.438 1.980 20 5 EDBDRO [NH3+]CC1(O)CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000571640501 448184434 /nfs/dbraw/zinc/18/44/34/448184434.db2.gz ALNMHHZXBBTAJA-UHFFFAOYSA-N 1 0 347.293 1.539 20 5 EDBDRO CNc1nccc(C(=O)NCC2(C[NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000561316021 448236408 /nfs/dbraw/zinc/23/64/08/448236408.db2.gz NUOGDTBKTXWBJB-UHFFFAOYSA-N 1 0 335.408 1.883 20 5 EDBDRO C[N@@H+]1CC[C@@](O)(CN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000577225327 448243587 /nfs/dbraw/zinc/24/35/87/448243587.db2.gz OGWIIJQXZVRMNC-QWHCGFSZSA-N 1 0 333.310 1.854 20 5 EDBDRO O=C(Nc1ccn([C@@H]2CC[NH2+]C2)n1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000562762139 448268635 /nfs/dbraw/zinc/26/86/35/448268635.db2.gz YHAQNXNAWFETIY-LLVKDONJSA-N 1 0 334.311 2.109 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(=O)n1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000591241500 448297137 /nfs/dbraw/zinc/29/71/37/448297137.db2.gz MDACLAWMDSSBGW-HNNXBMFYSA-N 1 0 331.372 1.558 20 5 EDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000591360469 448344075 /nfs/dbraw/zinc/34/40/75/448344075.db2.gz ZDTKZLQRZOERCS-CQSZACIVSA-N 1 0 347.419 1.569 20 5 EDBDRO CNc1ccc(C(=O)Nc2ccn([C@H]3CC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000515843279 448356757 /nfs/dbraw/zinc/35/67/57/448356757.db2.gz YEYLGUQFYIKTIX-NSHDSACASA-N 1 0 330.348 1.620 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cccc1[N+](=O)[O-] ZINC000591449587 448368043 /nfs/dbraw/zinc/36/80/43/448368043.db2.gz XFLAZQUIORHCPP-KCQAQPDRSA-N 1 0 332.404 1.914 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000591450063 448368137 /nfs/dbraw/zinc/36/81/37/448368137.db2.gz XJZDQKMKDQQETF-NXEZZACHSA-N 1 0 329.378 1.009 20 5 EDBDRO C[C@@H](Cc1cnn(C)c1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591769944 448487499 /nfs/dbraw/zinc/48/74/99/448487499.db2.gz YCNRTBZIZWLARF-SWLSCSKDSA-N 1 0 334.376 1.289 20 5 EDBDRO CNc1nccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000573231663 448576353 /nfs/dbraw/zinc/57/63/53/448576353.db2.gz GLTKXTRXPUATQH-CYBMUJFWSA-N 1 0 347.419 1.980 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NCC[N@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000584505758 448548569 /nfs/dbraw/zinc/54/85/69/448548569.db2.gz JBKSDOYEWQPZFI-NSHDSACASA-N 1 0 341.433 1.832 20 5 EDBDRO Cc1csc(CCCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000573437468 448624995 /nfs/dbraw/zinc/62/49/95/448624995.db2.gz BUHPJMRSVDZNTL-CYBMUJFWSA-N 1 0 339.421 1.530 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2c[nH]c3ccc(F)cc23)c1 ZINC000518519473 448688197 /nfs/dbraw/zinc/68/81/97/448688197.db2.gz UAFAIDVPCANOJD-CQSZACIVSA-N 1 0 347.350 1.605 20 5 EDBDRO O=C(NC1CC[NH2+]CC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000579020267 448698483 /nfs/dbraw/zinc/69/84/83/448698483.db2.gz GSILSFWQYBPBMW-UHFFFAOYSA-N 1 0 332.404 1.679 20 5 EDBDRO O=C(NCc1ccccc1)[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000592156326 448716750 /nfs/dbraw/zinc/71/67/50/448716750.db2.gz YHVCJVOYBQCRKK-HNNXBMFYSA-N 1 0 343.387 1.430 20 5 EDBDRO Cc1cc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1Cl ZINC000567708886 448743751 /nfs/dbraw/zinc/74/37/51/448743751.db2.gz YUZMHCBSZPUJCY-AWEZNQCLSA-N 1 0 338.795 1.946 20 5 EDBDRO O=[N+]([O-])c1cc(F)c(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(F)c1 ZINC000586762748 448802240 /nfs/dbraw/zinc/80/22/40/448802240.db2.gz GXZONXIYAUPFMV-JKSUJKDBSA-N 1 0 341.358 1.904 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000592379211 448812723 /nfs/dbraw/zinc/81/27/23/448812723.db2.gz KGQWEVZDHHATMV-GFCCVEGCSA-N 1 0 343.405 1.222 20 5 EDBDRO Cc1cc(C[C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000574071871 448785733 /nfs/dbraw/zinc/78/57/33/448785733.db2.gz NLUPWQBXIMVTPA-BXUZGUMPSA-N 1 0 334.376 1.587 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000592382216 448814332 /nfs/dbraw/zinc/81/43/32/448814332.db2.gz MKSALTVTDSNARS-OLZOCXBDSA-N 1 0 341.433 1.960 20 5 EDBDRO CC[C@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1[NH3+] ZINC000592332011 448795698 /nfs/dbraw/zinc/79/56/98/448795698.db2.gz QXWIXOIHJAXURY-SWLSCSKDSA-N 1 0 343.387 1.980 20 5 EDBDRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000586756913 448799794 /nfs/dbraw/zinc/79/97/94/448799794.db2.gz GGUGCXUDZJWGOP-CQSZACIVSA-N 1 0 343.387 1.960 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000592390324 448820624 /nfs/dbraw/zinc/82/06/24/448820624.db2.gz RDIVUSUTZZXMGB-CQSZACIVSA-N 1 0 339.417 1.632 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000592433128 448834540 /nfs/dbraw/zinc/83/45/40/448834540.db2.gz AGHRDUXGCBHGSK-RYUDHWBXSA-N 1 0 327.356 1.744 20 5 EDBDRO CC[NH+]1CCC(CNc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1 ZINC000587459515 448837963 /nfs/dbraw/zinc/83/79/63/448837963.db2.gz AIMSIONOVGCCIX-UHFFFAOYSA-N 1 0 347.419 1.929 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592475126 448853271 /nfs/dbraw/zinc/85/32/71/448853271.db2.gz SZWHNNBGFBLLDB-DOMZBBRYSA-N 1 0 336.392 1.280 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cccc(OC(F)F)c2)c1 ZINC000568751027 448914804 /nfs/dbraw/zinc/91/48/04/448914804.db2.gz UQQZUJNUYOCMFM-LBPRGKRZSA-N 1 0 342.302 1.543 20 5 EDBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000574652796 448926650 /nfs/dbraw/zinc/92/66/50/448926650.db2.gz YOGXQIQFAVJPQK-GFCCVEGCSA-N 1 0 327.406 1.442 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000521142265 448956552 /nfs/dbraw/zinc/95/65/52/448956552.db2.gz WKZDCHQPKNFPBN-UHFFFAOYSA-N 1 0 349.435 1.033 20 5 EDBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588860203 448942017 /nfs/dbraw/zinc/94/20/17/448942017.db2.gz GLWJJXYQPLTCEJ-CHWSQXEVSA-N 1 0 344.371 1.357 20 5 EDBDRO Cc1n[nH]c(C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000592882360 449035337 /nfs/dbraw/zinc/03/53/37/449035337.db2.gz RNEHACORXZIWKY-KGLIPLIRSA-N 1 0 343.387 1.702 20 5 EDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000592874047 449031064 /nfs/dbraw/zinc/03/10/64/449031064.db2.gz QUCSFUDQUZQOHP-CYBMUJFWSA-N 1 0 348.403 1.106 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000589928217 449083108 /nfs/dbraw/zinc/08/31/08/449083108.db2.gz DUWMDIASJBWDFS-JSGCOSHPSA-N 1 0 339.417 1.536 20 5 EDBDRO COc1cccc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000592898140 449042253 /nfs/dbraw/zinc/04/22/53/449042253.db2.gz CNUBEYOTAZGFOD-UHFFFAOYSA-N 1 0 349.387 1.540 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000589930186 449084977 /nfs/dbraw/zinc/08/49/77/449084977.db2.gz UBCRTMUSUQNXQY-SKDRFNHKSA-N 1 0 345.808 1.573 20 5 EDBDRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000597873256 449130195 /nfs/dbraw/zinc/13/01/95/449130195.db2.gz GOYMTIPUEQJUBY-UHFFFAOYSA-N 1 0 348.403 1.611 20 5 EDBDRO COC(=O)COc1ccc(CN2CC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590052450 449100653 /nfs/dbraw/zinc/10/06/53/449100653.db2.gz CEYNCZOROVQLPJ-DZGCQCFKSA-N 1 0 349.387 1.283 20 5 EDBDRO C[NH+](C)CCN1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000593052355 449115212 /nfs/dbraw/zinc/11/52/12/449115212.db2.gz QGVQMFHZQJSKJW-UHFFFAOYSA-N 1 0 340.811 1.454 20 5 EDBDRO COC(=O)CC1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000593058901 449117091 /nfs/dbraw/zinc/11/70/91/449117091.db2.gz GFUOYCFXLDLUEE-UHFFFAOYSA-N 1 0 335.360 1.917 20 5 EDBDRO [NH3+]CCC1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000593708584 449154559 /nfs/dbraw/zinc/15/45/59/449154559.db2.gz WIVNJPDUEZTKSQ-UHFFFAOYSA-N 1 0 346.391 1.742 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)CCO ZINC000593107494 449138635 /nfs/dbraw/zinc/13/86/35/449138635.db2.gz KNAKDYVDKPDVPA-NSHDSACASA-N 1 0 325.365 1.635 20 5 EDBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H](C)CCO)c([N+](=O)[O-])c1 ZINC000593108538 449138706 /nfs/dbraw/zinc/13/87/06/449138706.db2.gz XQUICDWUDMREIN-LLVKDONJSA-N 1 0 325.365 1.635 20 5 EDBDRO C[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCc2ccc(F)cc21 ZINC000593114615 449141501 /nfs/dbraw/zinc/14/15/01/449141501.db2.gz CGEMSJQAFZWHJX-BLLLJJGKSA-N 1 0 348.378 1.953 20 5 EDBDRO CCC[N@H+](C)C[C@H]1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000590577935 449199707 /nfs/dbraw/zinc/19/97/07/449199707.db2.gz JRJWZQCJEMXGKD-GFCCVEGCSA-N 1 0 336.392 1.945 20 5 EDBDRO COc1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1OC ZINC000611184952 449207297 /nfs/dbraw/zinc/20/72/97/449207297.db2.gz HDGJDVFGGSFNJS-UHFFFAOYSA-N 1 0 347.371 1.906 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000590547903 449183375 /nfs/dbraw/zinc/18/33/75/449183375.db2.gz MVVGCQQBMGEUNZ-UHFFFAOYSA-N 1 0 335.408 1.434 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)c([N+](=O)[O-])c1 ZINC000595828473 449191143 /nfs/dbraw/zinc/19/11/43/449191143.db2.gz KOZDIGYPMUSIQL-GFCCVEGCSA-N 1 0 346.387 1.138 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NCC(C)(C)[NH3+])c1 ZINC000593902884 449274304 /nfs/dbraw/zinc/27/43/04/449274304.db2.gz GZFFNOAOGBBCMW-UHFFFAOYSA-N 1 0 331.376 1.615 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593450181 449289941 /nfs/dbraw/zinc/28/99/41/449289941.db2.gz GYSGUOALMXBDDH-UHFFFAOYSA-N 1 0 327.356 1.313 20 5 EDBDRO C[NH2+]C[C@@H](C)NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000595984092 449296756 /nfs/dbraw/zinc/29/67/56/449296756.db2.gz UUWWYTRTJSPKTB-SNVBAGLBSA-N 1 0 327.406 1.561 20 5 EDBDRO C[NH2+]CCCN(C)C(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 ZINC000593908303 449278841 /nfs/dbraw/zinc/27/88/41/449278841.db2.gz LAPLALKARABOPU-UHFFFAOYSA-N 1 0 345.403 1.830 20 5 EDBDRO COc1cc[nH+]c(N2CCN(c3ccc(N)c([N+](=O)[O-])n3)CC2)c1 ZINC000596112859 449368071 /nfs/dbraw/zinc/36/80/71/449368071.db2.gz HHYKNWVCGCCUAE-UHFFFAOYSA-N 1 0 330.348 1.302 20 5 EDBDRO O=C([C@@H]1CC[N@@H+]1C1CCCC1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000602134395 449371382 /nfs/dbraw/zinc/37/13/82/449371382.db2.gz WOHJYUWTYZSWEE-INIZCTEOSA-N 1 0 330.388 1.891 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[NH+]1CCC(C)CC1 ZINC000593536476 449332082 /nfs/dbraw/zinc/33/20/82/449332082.db2.gz RFWAKEHHSPFNAL-LBPRGKRZSA-N 1 0 342.421 1.389 20 5 EDBDRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593541279 449334599 /nfs/dbraw/zinc/33/45/99/449334599.db2.gz JVFBGKVCSGZIQK-LLVKDONJSA-N 1 0 328.394 1.143 20 5 EDBDRO CNc1ccc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000598452264 449402121 /nfs/dbraw/zinc/40/21/21/449402121.db2.gz IBYIIQCIWCUGQR-AWEZNQCLSA-N 1 0 348.403 1.308 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000598452082 449402239 /nfs/dbraw/zinc/40/22/39/449402239.db2.gz GUFRQKPHGLWBRZ-INIZCTEOSA-N 1 0 333.388 1.195 20 5 EDBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596214607 449420957 /nfs/dbraw/zinc/42/09/57/449420957.db2.gz XFJJZTWIHZLNPJ-LBPRGKRZSA-N 1 0 348.403 1.383 20 5 EDBDRO O=[N+]([O-])c1ccc2ncnc(NCCC[NH+]3CCC(O)CC3)c2c1 ZINC000611700123 449386914 /nfs/dbraw/zinc/38/69/14/449386914.db2.gz DFZYXVLCJBMXHM-UHFFFAOYSA-N 1 0 331.376 1.797 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594325065 449450876 /nfs/dbraw/zinc/45/08/76/449450876.db2.gz AUIOCRJUQFMTIG-LSDHHAIUSA-N 1 0 346.387 1.666 20 5 EDBDRO CC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000598536345 449453408 /nfs/dbraw/zinc/45/34/08/449453408.db2.gz SGMJCLHQUGDOBC-SGMGOOAPSA-N 1 0 348.403 1.312 20 5 EDBDRO CCc1n[nH]c(C(=O)NCC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000598540460 449454810 /nfs/dbraw/zinc/45/48/10/449454810.db2.gz KAIXIPPJFSSKEQ-UHFFFAOYSA-N 1 0 335.408 1.732 20 5 EDBDRO CNc1nccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000594362493 449468331 /nfs/dbraw/zinc/46/83/31/449468331.db2.gz NGGXUJULWBHLSP-DGCLKSJQSA-N 1 0 333.392 1.730 20 5 EDBDRO O=[N+]([O-])c1ccccc1/C=C/CNCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000600681213 449487792 /nfs/dbraw/zinc/48/77/92/449487792.db2.gz XQTBGOVKBOFBCS-UJAVWCLSSA-N 1 0 328.376 1.524 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598664366 449526916 /nfs/dbraw/zinc/52/69/16/449526916.db2.gz GMYMCSKXMRLLPB-GHMZBOCLSA-N 1 0 335.364 1.102 20 5 EDBDRO CC[C@@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000598665247 449527281 /nfs/dbraw/zinc/52/72/81/449527281.db2.gz NUCIVWKFDWXAAN-BXUZGUMPSA-N 1 0 349.391 1.302 20 5 EDBDRO Nc1ccc(NCC2CC[NH+](Cc3ccncc3)CC2)nc1[N+](=O)[O-] ZINC000596435996 449502940 /nfs/dbraw/zinc/50/29/40/449502940.db2.gz GUMNLSNFUJQSNM-UHFFFAOYSA-N 1 0 342.403 2.291 20 5 EDBDRO COCC[N@H+](C)C[C@@H](O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000594571679 449578248 /nfs/dbraw/zinc/57/82/48/449578248.db2.gz VBFQUXZSTJZRQU-MRXNPFEDSA-N 1 0 334.376 1.397 20 5 EDBDRO COc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598721818 449562864 /nfs/dbraw/zinc/56/28/64/449562864.db2.gz WWYUXYIBERQWTR-YGRLFVJLSA-N 1 0 341.389 1.105 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598721634 449563111 /nfs/dbraw/zinc/56/31/11/449563111.db2.gz WMMXPGJRMBUTIS-BXUZGUMPSA-N 1 0 325.390 1.405 20 5 EDBDRO [NH3+]CCCCn1cc(CNC(=O)Nc2ccccc2[N+](=O)[O-])nn1 ZINC000594645687 449604139 /nfs/dbraw/zinc/60/41/39/449604139.db2.gz QOGFKKAIMNBCSK-UHFFFAOYSA-N 1 0 333.352 1.247 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600956767 449614817 /nfs/dbraw/zinc/61/48/17/449614817.db2.gz GYGKDDPAUSNYKW-CQSZACIVSA-N 1 0 337.424 1.715 20 5 EDBDRO CCc1nn(C)c(N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000600957024 449616446 /nfs/dbraw/zinc/61/64/46/449616446.db2.gz JRCPVLJMFQTSKD-ZDUSSCGKSA-N 1 0 337.424 1.486 20 5 EDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000602525434 449650126 /nfs/dbraw/zinc/65/01/26/449650126.db2.gz ATYOSBBDPRVNSI-INIZCTEOSA-N 1 0 343.387 1.851 20 5 EDBDRO COCCN1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602546243 449665020 /nfs/dbraw/zinc/66/50/20/449665020.db2.gz IIVFIUAAWXJZEC-HNNXBMFYSA-N 1 0 349.435 1.269 20 5 EDBDRO CC[N@@H+]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000598905752 449641376 /nfs/dbraw/zinc/64/13/76/449641376.db2.gz MTLBLPSWOHQQHO-LBPRGKRZSA-N 1 0 349.391 1.269 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCOC[C@H]3O)cs2)c1 ZINC000599011504 449697483 /nfs/dbraw/zinc/69/74/83/449697483.db2.gz JIXIZQGCDCIMQA-ZIAGYGMSSA-N 1 0 335.385 1.958 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594790547 449699451 /nfs/dbraw/zinc/69/94/51/449699451.db2.gz MPKBCRZLWHBACM-NSHDSACASA-N 1 0 342.421 1.389 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)c([N+](=O)[O-])c1 ZINC000599105826 449737734 /nfs/dbraw/zinc/73/77/34/449737734.db2.gz FYBIFVHIELGGPJ-CYBMUJFWSA-N 1 0 341.389 1.166 20 5 EDBDRO C[C@H](C[S@](C)=O)[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602616689 449706947 /nfs/dbraw/zinc/70/69/47/449706947.db2.gz WVQVVTPNUKHOBG-SPSFWMDKSA-N 1 0 340.449 1.657 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H](C)[NH+](C)C ZINC000594817968 449725850 /nfs/dbraw/zinc/72/58/50/449725850.db2.gz WSKCCCTUVFICAF-SNVBAGLBSA-N 1 0 331.394 1.222 20 5 EDBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601164250 449727876 /nfs/dbraw/zinc/72/78/76/449727876.db2.gz RBTOKWBLGMHQCP-GFCCVEGCSA-N 1 0 338.383 1.490 20 5 EDBDRO C[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000601165452 449728148 /nfs/dbraw/zinc/72/81/48/449728148.db2.gz OZNSMDMOXLDNAQ-LBPRGKRZSA-N 1 0 338.383 1.347 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000599094271 449728445 /nfs/dbraw/zinc/72/84/45/449728445.db2.gz SJQQNNZRSXZNPY-BHYGNILZSA-N 1 0 333.432 1.962 20 5 EDBDRO O=[N+]([O-])c1cccc2ncnc(NC3CC(N4CCOCC4)C3)c21 ZINC000599095932 449728976 /nfs/dbraw/zinc/72/89/76/449728976.db2.gz YVPREVNXBWLJTD-UHFFFAOYSA-N 1 0 329.360 1.813 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c1C ZINC000599102355 449733415 /nfs/dbraw/zinc/73/34/15/449733415.db2.gz DKLMSNKLMJRFAG-JQWIXIFHSA-N 1 0 327.406 1.630 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000601225770 449760254 /nfs/dbraw/zinc/76/02/54/449760254.db2.gz OZTQJLNUNHNJCU-HNNXBMFYSA-N 1 0 340.355 1.654 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC[N@@H+](C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000601319298 449827282 /nfs/dbraw/zinc/82/72/82/449827282.db2.gz ZBRSIKXUCNBSKU-UHFFFAOYSA-N 1 0 331.369 1.415 20 5 EDBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCn3c(C)ncc3[N+](=O)[O-])[C@@H]2C1 ZINC000602831844 449843141 /nfs/dbraw/zinc/84/31/41/449843141.db2.gz IXGLTVDYBVQSTQ-ZNMIVQPWSA-N 1 0 335.408 1.336 20 5 EDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(OCCO)CCOC1 ZINC000595080400 449858667 /nfs/dbraw/zinc/85/86/67/449858667.db2.gz WINVCFFEDGBQTI-WMLDXEAASA-N 1 0 338.404 1.674 20 5 EDBDRO COc1ccc(C(=O)N2CCN(CCO)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000614895203 449864760 /nfs/dbraw/zinc/86/47/60/449864760.db2.gz PWSGGLYZYAJNAX-UHFFFAOYSA-N 1 0 337.376 1.132 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c(C)cc1[N+](=O)[O-] ZINC000595103072 449869984 /nfs/dbraw/zinc/86/99/84/449869984.db2.gz WGXUKLCDSMOEEV-QMTHXVAHSA-N 1 0 341.433 1.960 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000595109395 449873913 /nfs/dbraw/zinc/87/39/13/449873913.db2.gz FCGOXAVFJWWNLL-NWDGAFQWSA-N 1 0 340.405 1.000 20 5 EDBDRO COC(=O)[C@H]1C[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000597242983 449891171 /nfs/dbraw/zinc/89/11/71/449891171.db2.gz PAPFPOZPVSNILP-GVXVVHGQSA-N 1 0 335.360 1.853 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H](O)CC3(O)CCC3)C2)nc1 ZINC000599326226 449894542 /nfs/dbraw/zinc/89/45/42/449894542.db2.gz TYJBBHXONWMJGI-JSGCOSHPSA-N 1 0 336.392 1.142 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000601420214 449936893 /nfs/dbraw/zinc/93/68/93/449936893.db2.gz CEGWFJRTRCUVHX-RISCZKNCSA-N 1 0 341.433 1.870 20 5 EDBDRO CN(C)C(=O)CC[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595348426 450062359 /nfs/dbraw/zinc/06/23/59/450062359.db2.gz TZTUJWYEYUHWNO-UHFFFAOYSA-N 1 0 338.383 1.330 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCO[C@H]3CC3(F)F)C2)nc1 ZINC000595373222 450087046 /nfs/dbraw/zinc/08/70/46/450087046.db2.gz YQBNVXSOAJHACA-JQWIXIFHSA-N 1 0 328.319 1.900 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](C)c2nccn2C)c1 ZINC000595384562 450099321 /nfs/dbraw/zinc/09/93/21/450099321.db2.gz XQAHOQXBVQBRQI-NSHDSACASA-N 1 0 338.389 1.985 20 5 EDBDRO Cc1noc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595406335 450118616 /nfs/dbraw/zinc/11/86/16/450118616.db2.gz CBXDMXVKHXLULL-OCCSQVGLSA-N 1 0 337.424 1.349 20 5 EDBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000613389388 450161429 /nfs/dbraw/zinc/16/14/29/450161429.db2.gz MGJFNYHBCITILG-WBMJQRKESA-N 1 0 343.383 1.948 20 5 EDBDRO C[NH+](C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000597652623 450171503 /nfs/dbraw/zinc/17/15/03/450171503.db2.gz COEPUMKYPHHYHH-SNVBAGLBSA-N 1 0 335.282 1.266 20 5 EDBDRO C[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1cnn(C)c1 ZINC000610272418 450177619 /nfs/dbraw/zinc/17/76/19/450177619.db2.gz RIQJEIOMDVTORG-NHYWBVRUSA-N 1 0 329.360 1.612 20 5 EDBDRO CCC1([NH+]2CCOCC2)CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000599669476 450141351 /nfs/dbraw/zinc/14/13/51/450141351.db2.gz MSKZVMWXPFXHFH-UHFFFAOYSA-N 1 0 337.424 1.368 20 5 EDBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000597678626 450189410 /nfs/dbraw/zinc/18/94/10/450189410.db2.gz NCGDLXUHHLXMIU-GFCCVEGCSA-N 1 0 336.392 1.259 20 5 EDBDRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000619873367 450348603 /nfs/dbraw/zinc/34/86/03/450348603.db2.gz HMVNHIIHZFWVOF-GFCCVEGCSA-N 1 0 338.795 1.368 20 5 EDBDRO CO[C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000619429031 450471433 /nfs/dbraw/zinc/47/14/33/450471433.db2.gz OIINTTDLSPGGOX-TZMCWYRMSA-N 1 0 342.417 1.916 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000619482724 450486149 /nfs/dbraw/zinc/48/61/49/450486149.db2.gz QVLILJXACHPIRO-NSHDSACASA-N 1 0 343.405 1.224 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000610399657 491191986 /nfs/dbraw/zinc/19/19/86/491191986.db2.gz XCHHVHWBFSMBOR-QWHCGFSZSA-N 1 0 348.403 1.171 20 5 EDBDRO CC[NH2+]CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000236918736 535466437 /nfs/dbraw/zinc/46/64/37/535466437.db2.gz RMIAGYDUTFQXFH-UHFFFAOYSA-N 1 0 330.182 1.626 20 5 EDBDRO CC[NH+]1CCN(CCC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000272094073 535685139 /nfs/dbraw/zinc/68/51/39/535685139.db2.gz KAPMJPXLMHOUHY-CQSZACIVSA-N 1 0 334.420 1.800 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000345889921 536364042 /nfs/dbraw/zinc/36/40/42/536364042.db2.gz YLDOWMAGJUFRJI-BZPMIXESSA-N 1 0 348.403 1.735 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc([N+](=O)[O-])c1 ZINC000272679292 536871433 /nfs/dbraw/zinc/87/14/33/536871433.db2.gz VDRHEJKFSBBDCB-IAQYHMDHSA-N 1 0 347.371 1.548 20 5 EDBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000729372555 578565925 /nfs/dbraw/zinc/56/59/25/578565925.db2.gz PAYGZTQDXNOCNL-OAHLLOKOSA-N 1 0 345.403 1.887 20 5 EDBDRO C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000729921227 578599751 /nfs/dbraw/zinc/59/97/51/578599751.db2.gz SOEDSIQNPUEVMI-UKRRQHHQSA-N 1 0 345.403 1.572 20 5 EDBDRO CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732034706 578687922 /nfs/dbraw/zinc/68/79/22/578687922.db2.gz GOFXYPQFNNEBMR-GFCCVEGCSA-N 1 0 337.351 1.808 20 5 EDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000733164694 578745417 /nfs/dbraw/zinc/74/54/17/578745417.db2.gz BQMYMPLGDJEOHI-ZDUSSCGKSA-N 1 0 327.356 1.815 20 5 EDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000733169485 578745914 /nfs/dbraw/zinc/74/59/14/578745914.db2.gz VDKSCYFFTZCNCW-GFCCVEGCSA-N 1 0 337.376 1.633 20 5 EDBDRO COc1cccc([C@@H](O)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000734512521 578819764 /nfs/dbraw/zinc/81/97/64/578819764.db2.gz RKBLHYYXRDXNAS-SJORKVTESA-N 1 0 332.356 1.960 20 5 EDBDRO C[C@H](C(=O)OCCn1cc([N+](=O)[O-])ccc1=O)[NH+]1[C@H](C)CC[C@H]1C ZINC000761405637 580056714 /nfs/dbraw/zinc/05/67/14/580056714.db2.gz RNXQEDHPUYLDJU-JHJVBQTASA-N 1 0 337.376 1.561 20 5 EDBDRO Cc1nn(CN2CC[C@H]([NH+]3CCCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749947921 579744715 /nfs/dbraw/zinc/74/47/15/579744715.db2.gz RDMJGYLZRICPJX-ZDUSSCGKSA-N 1 0 330.392 1.776 20 5 EDBDRO CCN(CC)C(=O)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000765331530 580140083 /nfs/dbraw/zinc/14/00/83/580140083.db2.gz DRGPWOQVLVUPRJ-GFCCVEGCSA-N 1 0 336.392 1.770 20 5 EDBDRO C[C@@H]([NH2+][C@H](CO)C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000771815459 580295303 /nfs/dbraw/zinc/29/53/03/580295303.db2.gz VBBMSAMJLJYMJQ-AMIZOPFISA-N 1 0 327.768 1.936 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000780867635 580535895 /nfs/dbraw/zinc/53/58/95/580535895.db2.gz RRFPWYCVSIUMDH-LBPRGKRZSA-N 1 0 341.433 1.920 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@H+]2CCC[C@@H]2C)cc1C ZINC000780867546 580536008 /nfs/dbraw/zinc/53/60/08/580536008.db2.gz MYVUTDRFLFFZDR-ZDUSSCGKSA-N 1 0 341.433 1.974 20 5 EDBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000784646016 580625545 /nfs/dbraw/zinc/62/55/45/580625545.db2.gz HUJUGCWXEDWFQL-ZDUSSCGKSA-N 1 0 345.403 1.932 20 5 EDBDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000788622344 580726134 /nfs/dbraw/zinc/72/61/34/580726134.db2.gz AQNIHHDWZPKHNB-SUMWQHHRSA-N 1 0 335.404 1.693 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@](C)(CO)C2CC2)cc1[N+](=O)[O-] ZINC000788964455 580733812 /nfs/dbraw/zinc/73/38/12/580733812.db2.gz KALHUMHRUGCWTI-MRXNPFEDSA-N 1 0 338.360 1.397 20 5 EDBDRO COc1c[nH+]ccc1N1CCN(Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000794702457 580903571 /nfs/dbraw/zinc/90/35/71/580903571.db2.gz WGCIBYXLURRXPO-UHFFFAOYSA-N 1 0 332.364 1.283 20 5 EDBDRO COc1c(O)ccc(C[NH2+]CCN2CCOCC2(C)C)c1[N+](=O)[O-] ZINC000893343165 590790900 /nfs/dbraw/zinc/79/09/00/590790900.db2.gz NRDXOMCFQJAUDV-UHFFFAOYSA-N 1 0 339.392 1.509 20 5 EDBDRO Cc1ccc(CNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000892537666 591064959 /nfs/dbraw/zinc/06/49/59/591064959.db2.gz XZVZDFGLTVONPJ-LBPRGKRZSA-N 1 0 342.346 1.947 20 5 EDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000891618344 591151683 /nfs/dbraw/zinc/15/16/83/591151683.db2.gz OWSMGDADNHWKGT-CYBMUJFWSA-N 1 0 335.408 1.790 20 5 EDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000892930686 591228928 /nfs/dbraw/zinc/22/89/28/591228928.db2.gz ZUECNEHKZUNQIT-ZDUSSCGKSA-N 1 0 336.392 1.757 20 5 EDBDRO C[C@H]1[C@@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000895740921 591262954 /nfs/dbraw/zinc/26/29/54/591262954.db2.gz USLOCWMESZZQJQ-JQWIXIFHSA-N 1 0 342.421 1.350 20 5 EDBDRO CN1C[C@@H](CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1=O ZINC000896306626 591414861 /nfs/dbraw/zinc/41/48/61/591414861.db2.gz UFPBFWDRPYTSEX-ZDUSSCGKSA-N 1 0 347.419 1.417 20 5 EDBDRO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H]1C[N@H+](C)CCN1C ZINC000896568870 591530948 /nfs/dbraw/zinc/53/09/48/591530948.db2.gz BNADNJOXYYFSLQ-RISCZKNCSA-N 1 0 346.387 1.705 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C12CCC2 ZINC000898834375 591546542 /nfs/dbraw/zinc/54/65/42/591546542.db2.gz HRHMXZRZNPYDFB-KGLIPLIRSA-N 1 0 347.371 1.926 20 5 EDBDRO COc1cc(CN2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c([N+](=O)[O-])cc1OC ZINC000897621637 591590115 /nfs/dbraw/zinc/59/01/15/591590115.db2.gz LPHAJEKINPFJPQ-SUMWQHHRSA-N 1 0 335.404 1.996 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3C[C@@H]4COC[C@@H]4O3)CC2)cn1 ZINC000896858464 591637845 /nfs/dbraw/zinc/63/78/45/591637845.db2.gz KFTUPUZNMZGBHC-WQVCFCJDSA-N 1 0 348.403 1.352 20 5 EDBDRO CN(C)[C@H](CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000896878468 591643874 /nfs/dbraw/zinc/64/38/74/591643874.db2.gz HITQAKASXZMMOI-RTYFJBAXSA-N 1 0 335.330 1.967 20 5 EDBDRO O=[N+]([O-])c1cc(CO)c(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1F ZINC000897219255 591773593 /nfs/dbraw/zinc/77/35/93/591773593.db2.gz JXOGDRFJRJVHJA-ZIAGYGMSSA-N 1 0 339.367 1.262 20 5 EDBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H]4[C@@H]3CCC[N@H+]4CCO)c2c1 ZINC000897221311 591776097 /nfs/dbraw/zinc/77/60/97/591776097.db2.gz LCXLSFTXPGPHIB-CVEARBPZSA-N 1 0 343.387 1.573 20 5 EDBDRO CC(=O)c1ccc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])c1 ZINC000897221398 591776112 /nfs/dbraw/zinc/77/61/12/591776112.db2.gz MOHQLRNRPVPZKM-GJZGRUSLSA-N 1 0 333.388 1.833 20 5 EDBDRO C[NH+]1CCC(OCC(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)CC1 ZINC000901813452 591842348 /nfs/dbraw/zinc/84/23/48/591842348.db2.gz MHTHSAPWJSLNKA-UHFFFAOYSA-N 1 0 329.303 1.922 20 5 EDBDRO O=C(NC1CC1)c1ccc(N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000900387576 591997614 /nfs/dbraw/zinc/99/76/14/591997614.db2.gz WKCKQJMIZSQUHC-QWHCGFSZSA-N 1 0 330.388 1.533 20 5 EDBDRO O=C(N1CCC[C@]12CC[NH2+]C2)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000900486489 592031862 /nfs/dbraw/zinc/03/18/62/592031862.db2.gz CSURUAHRTPTLFR-CQSZACIVSA-N 1 0 341.314 1.921 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000902707865 592048423 /nfs/dbraw/zinc/04/84/23/592048423.db2.gz MCYSPJKUPGYWDH-OAHLLOKOSA-N 1 0 346.387 1.394 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000902957568 592090419 /nfs/dbraw/zinc/09/04/19/592090419.db2.gz KVGLHZKZNDFYGK-AWEZNQCLSA-N 1 0 331.376 1.751 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000903033932 592103928 /nfs/dbraw/zinc/10/39/28/592103928.db2.gz FPXZCYICVARKOI-UHFFFAOYSA-N 1 0 346.387 1.538 20 5 EDBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCc3nnn(C)c3C2)cc([N+](=O)[O-])c1 ZINC000903224853 592136655 /nfs/dbraw/zinc/13/66/55/592136655.db2.gz BUQFNHLHKXNONU-ZYHUDNBSSA-N 1 0 331.376 1.940 20 5 EDBDRO CN1C[C@H](CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000903213913 592140101 /nfs/dbraw/zinc/14/01/01/592140101.db2.gz QCEPEOJBMPCLDX-MCIONIFRSA-N 1 0 335.408 1.733 20 5 EDBDRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000903575164 592226863 /nfs/dbraw/zinc/22/68/63/592226863.db2.gz FZXWOXBNFUOLGQ-ZDUSSCGKSA-N 1 0 341.433 1.974 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1C[NH2+]C ZINC000903577701 592228638 /nfs/dbraw/zinc/22/86/38/592228638.db2.gz RONPRMOZVIZDAX-AWEZNQCLSA-N 1 0 341.433 1.920 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000905572920 592570495 /nfs/dbraw/zinc/57/04/95/592570495.db2.gz ROGAWSKPXZVMQX-XGUBFFRZSA-N 1 0 334.372 1.515 20 5 EDBDRO CCO[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C)c1F)C[NH+](C)C ZINC000906373341 592807940 /nfs/dbraw/zinc/80/79/40/592807940.db2.gz SGEJANWGOYKRPE-LBPRGKRZSA-N 1 0 327.356 1.739 20 5 EDBDRO CNc1ccc(C(=O)N(CCO)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000911938456 593040029 /nfs/dbraw/zinc/04/00/29/593040029.db2.gz YUJVXDKWCODMHM-UHFFFAOYSA-N 1 0 336.392 1.165 20 5 EDBDRO CC(=O)NCC[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000805821547 593148051 /nfs/dbraw/zinc/14/80/51/593148051.db2.gz BDRNRPRHUCWRPF-RHSMWYFYSA-N 1 0 335.404 1.866 20 5 EDBDRO C[C@@H]1CN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)[N@H+]1C ZINC000840091117 593165763 /nfs/dbraw/zinc/16/57/63/593165763.db2.gz ZJRXYBNNKMFSPL-BETUJISGSA-N 1 0 330.392 1.835 20 5 EDBDRO Cc1cc(S(=O)(=O)NCCCCCC[NH3+])cc([N+](=O)[O-])c1F ZINC000842917656 593244919 /nfs/dbraw/zinc/24/49/19/593244919.db2.gz AANKWHQWODJUOZ-UHFFFAOYSA-N 1 0 333.385 1.840 20 5 EDBDRO Cc1nn(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000840173454 593337153 /nfs/dbraw/zinc/33/71/53/593337153.db2.gz CWLJJFLLHSVUPO-GFCCVEGCSA-N 1 0 331.376 1.621 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000816750995 593547306 /nfs/dbraw/zinc/54/73/06/593547306.db2.gz XPDYXPXDZOTYGA-HIFRSBDPSA-N 1 0 334.376 1.112 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000817378449 593599315 /nfs/dbraw/zinc/59/93/15/593599315.db2.gz UQFAPXXPUWPUGW-GFCCVEGCSA-N 1 0 332.360 1.174 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000814910365 593606680 /nfs/dbraw/zinc/60/66/80/593606680.db2.gz UMJSMPIRPUYLEI-QGZVFWFLSA-N 1 0 332.404 1.877 20 5 EDBDRO C[C@@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H](C)[N@H+]1C ZINC000818620720 593708351 /nfs/dbraw/zinc/70/83/51/593708351.db2.gz AYCAQUNIFOBWHF-TXEJJXNPSA-N 1 0 331.376 1.496 20 5 EDBDRO COCCOc1ncccc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818975179 593731549 /nfs/dbraw/zinc/73/15/49/593731549.db2.gz KBXXRJUJDKTYAY-MRXNPFEDSA-N 1 0 347.371 1.838 20 5 EDBDRO CCc1cc(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000819055712 593736035 /nfs/dbraw/zinc/73/60/35/593736035.db2.gz XREIUDHUJZTNBN-UHFFFAOYSA-N 1 0 338.389 1.444 20 5 EDBDRO CO[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000819070178 593737335 /nfs/dbraw/zinc/73/73/35/593737335.db2.gz TWPLISWEZIDMPD-PWSUYJOCSA-N 1 0 338.282 1.501 20 5 EDBDRO Cc1nc2c(s1)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000819216790 593744700 /nfs/dbraw/zinc/74/47/00/593744700.db2.gz KSPVIBHDMAVRHF-NWDGAFQWSA-N 1 0 337.405 1.584 20 5 EDBDRO Cc1nc2c(s1)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000819216792 593744765 /nfs/dbraw/zinc/74/47/65/593744765.db2.gz KSPVIBHDMAVRHF-VXGBXAGGSA-N 1 0 337.405 1.584 20 5 EDBDRO Cc1cc(Cl)nc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000819291876 593748844 /nfs/dbraw/zinc/74/88/44/593748844.db2.gz XZZZRVQJCYGKLA-LBPRGKRZSA-N 1 0 325.756 1.299 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cc(F)cnc2Cl)c1 ZINC000819339455 593751056 /nfs/dbraw/zinc/75/10/56/593751056.db2.gz PKCBIHVGBBNSDZ-LLVKDONJSA-N 1 0 329.719 1.130 20 5 EDBDRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc([N+](=O)[O-])[nH]1 ZINC000820075582 593788850 /nfs/dbraw/zinc/78/88/50/593788850.db2.gz QQCBLXLLUMPJHQ-VIKVFOODSA-N 1 0 326.356 1.783 20 5 EDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000820503470 593824671 /nfs/dbraw/zinc/82/46/71/593824671.db2.gz HYLVTFUJIVAEGW-LDYMZIIASA-N 1 0 335.389 1.764 20 5 EDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823980332 593900313 /nfs/dbraw/zinc/90/03/13/593900313.db2.gz LEFLXSZPCXERNK-LBPRGKRZSA-N 1 0 339.396 1.655 20 5 EDBDRO CN1CC[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000821844071 593952610 /nfs/dbraw/zinc/95/26/10/593952610.db2.gz YCSCLZCJLSANRY-UHFFFAOYSA-N 1 0 338.383 1.491 20 5 EDBDRO CS(=O)(=O)c1cccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1 ZINC000824383531 593999243 /nfs/dbraw/zinc/99/92/43/593999243.db2.gz PGAAOPVOCNPSSC-UHFFFAOYSA-N 1 0 349.412 1.964 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CN(C)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821268629 594003530 /nfs/dbraw/zinc/00/35/30/594003530.db2.gz YSFAZGJOFUEOPK-JTQLQIEISA-N 1 0 332.368 1.090 20 5 EDBDRO CC(C)[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000823297308 594181713 /nfs/dbraw/zinc/18/17/13/594181713.db2.gz BOJGIGGRBGSTKB-AWEZNQCLSA-N 1 0 328.457 1.210 20 5 EDBDRO COC(=O)/C=C/c1ccc(NCC[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000829282938 594592340 /nfs/dbraw/zinc/59/23/40/594592340.db2.gz GADNDVVYPLTTMM-HWKANZROSA-N 1 0 349.387 1.650 20 5 EDBDRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000827157856 594648981 /nfs/dbraw/zinc/64/89/81/594648981.db2.gz JSNWOOIIAZWBAS-UHFFFAOYSA-N 1 0 342.827 1.700 20 5 EDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C[NH+](C)C)OCC ZINC000831723445 594696282 /nfs/dbraw/zinc/69/62/82/594696282.db2.gz GWCINJVHEQSLEA-LBPRGKRZSA-N 1 0 339.392 1.690 20 5 EDBDRO CCO[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000831777324 594702279 /nfs/dbraw/zinc/70/22/79/594702279.db2.gz WWMRPHVJBXASAQ-ZDUSSCGKSA-N 1 0 341.433 1.770 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000841207997 594868528 /nfs/dbraw/zinc/86/85/28/594868528.db2.gz JZZGVQJUVWAVPY-DTWKUNHWSA-N 1 0 338.339 1.190 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@](C)(O)C[NH+](C)C)cc1Cl ZINC000836779780 594997326 /nfs/dbraw/zinc/99/73/26/594997326.db2.gz VETWJJPYBQBHGG-AWEZNQCLSA-N 1 0 329.784 1.599 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000837186504 595052901 /nfs/dbraw/zinc/05/29/01/595052901.db2.gz RNPZDQVQEJZUSJ-CQSZACIVSA-N 1 0 349.387 1.727 20 5 EDBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@H](C[NH3+])C1 ZINC000843368003 595089872 /nfs/dbraw/zinc/08/98/72/595089872.db2.gz MXEPNMWULKPHRP-GXSJLCMTSA-N 1 0 342.783 1.235 20 5 EDBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000843377144 595093387 /nfs/dbraw/zinc/09/33/87/595093387.db2.gz OSQPGPBQSOCSPV-CQSZACIVSA-N 1 0 338.383 1.553 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000842479877 595116365 /nfs/dbraw/zinc/11/63/65/595116365.db2.gz HFVCOIXVXQOPJS-SKDRFNHKSA-N 1 0 345.808 1.539 20 5 EDBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000842684316 595169658 /nfs/dbraw/zinc/16/96/58/595169658.db2.gz ZRPAERMTEQAZHH-SECBINFHSA-N 1 0 333.797 1.539 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)NCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000842758692 595190186 /nfs/dbraw/zinc/19/01/86/595190186.db2.gz MLGFOARNYFCYIR-UHFFFAOYSA-N 1 0 333.797 1.716 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000842790532 595199950 /nfs/dbraw/zinc/19/99/50/595199950.db2.gz JIAOCIBIFLDUPA-ZJUUUORDSA-N 1 0 347.824 1.914 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)cc([N+](=O)[O-])c1F ZINC000842837950 595213995 /nfs/dbraw/zinc/21/39/95/595213995.db2.gz CCSYQVWVOUMSTN-NSHDSACASA-N 1 0 345.396 1.792 20 5 EDBDRO COc1cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000867309496 595227038 /nfs/dbraw/zinc/22/70/38/595227038.db2.gz SIXGRISBMWJTAM-CMPLNLGQSA-N 1 0 343.405 1.317 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000842914991 595234354 /nfs/dbraw/zinc/23/43/54/595234354.db2.gz PMNVPSISIZJTMS-BDAKNGLRSA-N 1 0 335.813 1.961 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000848293726 595355526 /nfs/dbraw/zinc/35/55/26/595355526.db2.gz YYIKVTQXNAIDGL-BETUJISGSA-N 1 0 335.360 1.243 20 5 EDBDRO C[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848676340 595426320 /nfs/dbraw/zinc/42/63/20/595426320.db2.gz LDGFESNNBMTHJS-WVZRYYJFSA-N 1 0 337.420 1.716 20 5 EDBDRO [NH3+][C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1F ZINC000852761621 595531837 /nfs/dbraw/zinc/53/18/37/595531837.db2.gz YGOKPALOJUKRHE-NXEZZACHSA-N 1 0 330.747 1.558 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000112916836 595562696 /nfs/dbraw/zinc/56/26/96/595562696.db2.gz WCHXYGSNSUPWLR-LBPRGKRZSA-N 1 0 338.383 1.490 20 5 EDBDRO O=C(NCC[C@H]1CC[NH2+]C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765589 595599663 /nfs/dbraw/zinc/59/96/63/595599663.db2.gz RMSDESQDKHJAPM-SNVBAGLBSA-N 1 0 329.303 1.682 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766865 595600590 /nfs/dbraw/zinc/60/05/90/595600590.db2.gz WPTGMTXKYCFNGZ-NSHDSACASA-N 1 0 329.303 1.777 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000853082018 595659076 /nfs/dbraw/zinc/65/90/76/595659076.db2.gz AYRWAXXRVFQDKQ-LBPRGKRZSA-N 1 0 333.797 1.587 20 5 EDBDRO C[C@@]1(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000853341695 595738942 /nfs/dbraw/zinc/73/89/42/595738942.db2.gz UPOIFLSBOAGBIH-CYBMUJFWSA-N 1 0 326.740 1.055 20 5 EDBDRO CNc1ccc(C(=O)OC[C@@H]2CCC[N@@H+]2CCOC)cc1[N+](=O)[O-] ZINC000861032217 595870106 /nfs/dbraw/zinc/87/01/06/595870106.db2.gz KUOHAEYYFPDAMA-ZDUSSCGKSA-N 1 0 337.376 1.904 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000861034329 595871843 /nfs/dbraw/zinc/87/18/43/595871843.db2.gz PQWZXRUTQPHDBS-ZDUSSCGKSA-N 1 0 338.360 1.871 20 5 EDBDRO C[NH2+]CCOCCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000861607966 596046062 /nfs/dbraw/zinc/04/60/62/596046062.db2.gz HHLOPMOQSOUFAJ-UHFFFAOYSA-N 1 0 330.772 1.283 20 5 EDBDRO O=C1CCC2=C(CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)N1 ZINC000852300590 596117563 /nfs/dbraw/zinc/11/75/63/596117563.db2.gz AFPAJCOLZBFTDN-CQSZACIVSA-N 1 0 347.371 1.204 20 5 EDBDRO [NH3+][C@@]12CCC[C@@H]1CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000857087986 596155045 /nfs/dbraw/zinc/15/50/45/596155045.db2.gz XOXPZJSEHSRKRL-MEBBXXQBSA-N 1 0 338.795 2.000 20 5 EDBDRO COc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)ccc1[N+](=O)[O-] ZINC000857235683 596194323 /nfs/dbraw/zinc/19/43/23/596194323.db2.gz SQURSXNGTOJPIM-HZMBPMFUSA-N 1 0 341.389 1.105 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCN(C3CC3)C2)cc1F ZINC000866596518 596264224 /nfs/dbraw/zinc/26/42/24/596264224.db2.gz GPZVVSMOUJYQCG-SNVBAGLBSA-N 1 0 343.380 1.557 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c([N+](=O)[O-])s1 ZINC000866822901 596365770 /nfs/dbraw/zinc/36/57/70/596365770.db2.gz JGDSRBSBGOIABY-ZJUUUORDSA-N 1 0 331.419 1.480 20 5 EDBDRO Cc1cc(Cl)c(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000863318564 596548977 /nfs/dbraw/zinc/54/89/77/596548977.db2.gz PTPSEGCCWGMYQL-SNVBAGLBSA-N 1 0 327.768 1.353 20 5 EDBDRO C[N@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322614 596550990 /nfs/dbraw/zinc/55/09/90/596550990.db2.gz JJGMDSCFVBLRCU-WAAGHKOSSA-N 1 0 337.767 1.751 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000867814405 596566388 /nfs/dbraw/zinc/56/63/88/596566388.db2.gz PMABPCJCBMOZMK-RISCZKNCSA-N 1 0 325.390 1.310 20 5 EDBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccnn1C ZINC000871926458 596744850 /nfs/dbraw/zinc/74/48/50/596744850.db2.gz IIPAPOCJJNUWJU-BXUZGUMPSA-N 1 0 329.360 1.784 20 5 EDBDRO COc1ccc(NC(=O)CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000872149756 596812874 /nfs/dbraw/zinc/81/28/74/596812874.db2.gz QBLOZONAONWSSG-MEDUHNTESA-N 1 0 334.376 1.083 20 5 EDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)[C@H]1CN(C)CCO1 ZINC000866307966 596852907 /nfs/dbraw/zinc/85/29/07/596852907.db2.gz NPGJJMLCCAADLH-XHBSWPGZSA-N 1 0 325.384 1.974 20 5 EDBDRO CC[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000125512221 596922372 /nfs/dbraw/zinc/92/23/72/596922372.db2.gz LCVYVUQKFRZKQK-OAHLLOKOSA-N 1 0 346.431 1.975 20 5 EDBDRO [NH3+][C@@H]1CCCCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000877126992 597438651 /nfs/dbraw/zinc/43/86/51/597438651.db2.gz XSEMXFNSUMOAAK-LLVKDONJSA-N 1 0 325.340 1.843 20 5 EDBDRO Cc1cccc(C[C@@H](CO)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000877465727 597519995 /nfs/dbraw/zinc/51/99/95/597519995.db2.gz VVSFUPSWJIDZLG-PCKAHOCUSA-N 1 0 330.388 1.996 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000877743025 597552530 /nfs/dbraw/zinc/55/25/30/597552530.db2.gz SVSPZZZOGOBWOY-UKRRQHHQSA-N 1 0 333.388 1.907 20 5 EDBDRO C[NH+]1CCC(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC000878595175 597648611 /nfs/dbraw/zinc/64/86/11/597648611.db2.gz RTLSTAAOPWVIPK-UHFFFAOYSA-N 1 0 349.387 1.828 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]1COC(=O)N(C)C ZINC000878611401 597654878 /nfs/dbraw/zinc/65/48/78/597654878.db2.gz QQMRGEDHUXFWGJ-CYBMUJFWSA-N 1 0 339.396 1.652 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CCN1c1cc[nH+]cc1 ZINC000883140915 597664727 /nfs/dbraw/zinc/66/47/27/597664727.db2.gz JGUKVVLILIQENH-GFCCVEGCSA-N 1 0 329.360 1.679 20 5 EDBDRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000883474059 597764775 /nfs/dbraw/zinc/76/47/75/597764775.db2.gz YXYQCCIVERPDIM-OAHLLOKOSA-N 1 0 341.433 1.541 20 5 EDBDRO COCC[NH2+]CCc1cn(Cc2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC000881227020 598101396 /nfs/dbraw/zinc/10/13/96/598101396.db2.gz GKVSLGHIZJJLKV-UHFFFAOYSA-N 1 0 339.783 1.667 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)C1 ZINC000825390457 607451697 /nfs/dbraw/zinc/45/16/97/607451697.db2.gz FROLXHZEOXTRRQ-LLVKDONJSA-N 1 0 331.380 1.553 20 5 EDBDRO C[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000917416065 697015071 /nfs/dbraw/zinc/01/50/71/697015071.db2.gz SNMVPJHWEHHWMG-GDBMZVCRSA-N 1 0 337.420 1.799 20 5 EDBDRO O=C(Cc1cnoc1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000996900746 703170612 /nfs/dbraw/zinc/17/06/12/703170612.db2.gz ZVJOKGGCQCHYGN-UHFFFAOYSA-N 1 0 344.371 1.906 20 5 EDBDRO CC(C)c1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001002782711 709388405 /nfs/dbraw/zinc/38/84/05/709388405.db2.gz OGKHLCPJIIVABV-NVXWUHKLSA-N 1 0 346.431 1.951 20 5 EDBDRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000052134289 214119573 /nfs/dbraw/zinc/11/95/73/214119573.db2.gz LQQFGPNRUWGGED-CQSZACIVSA-N 1 0 341.433 1.889 20 5 EDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000193336206 290812009 /nfs/dbraw/zinc/81/20/09/290812009.db2.gz XCEWIISMENHNNR-GFCCVEGCSA-N 1 0 327.406 1.584 20 5 EDBDRO C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000268269508 290877456 /nfs/dbraw/zinc/87/74/56/290877456.db2.gz SNAGULFLXSAMJW-JOYOIKCWSA-N 1 0 347.824 1.819 20 5 EDBDRO O=C(C[C@H]1CSCC[NH2+]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000562977877 306314484 /nfs/dbraw/zinc/31/44/84/306314484.db2.gz OJWKDISZGLIJQA-NSHDSACASA-N 1 0 339.421 1.050 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2CC(c3ccccc3)C2)c1 ZINC000563012972 306315852 /nfs/dbraw/zinc/31/58/52/306315852.db2.gz YLDQZFUMQROMLY-PUJMQQBBSA-N 1 0 330.388 1.936 20 5 EDBDRO O=C(NCCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000056778736 138151802 /nfs/dbraw/zinc/15/18/02/138151802.db2.gz VXRHTAQKIZYLHE-UHFFFAOYSA-N 1 0 325.340 1.576 20 5 EDBDRO CNC(=O)C1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000026341702 202141763 /nfs/dbraw/zinc/14/17/63/202141763.db2.gz MDDYIZYGYYHAQA-UHFFFAOYSA-N 1 0 348.403 1.690 20 5 EDBDRO Cc1nn(C)c(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000098096910 138297583 /nfs/dbraw/zinc/29/75/83/138297583.db2.gz SDGQUYDFPHIDJS-AWEZNQCLSA-N 1 0 345.403 1.539 20 5 EDBDRO CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCCNC1=O ZINC000105613391 138301412 /nfs/dbraw/zinc/30/14/12/138301412.db2.gz DPQLERSWMQHNQU-CQSZACIVSA-N 1 0 346.387 1.084 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107527082 138304313 /nfs/dbraw/zinc/30/43/13/138304313.db2.gz KITCCEBHWZBMJK-OAHLLOKOSA-N 1 0 349.435 1.967 20 5 EDBDRO CCOC(=O)c1cc(NC[C@](C)(O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000132924407 138385500 /nfs/dbraw/zinc/38/55/00/138385500.db2.gz PHHRLWPNGWVCRT-HNNXBMFYSA-N 1 0 325.365 1.496 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000413822007 304078283 /nfs/dbraw/zinc/07/82/83/304078283.db2.gz SYUNBDJIYLGULB-CYBMUJFWSA-N 1 0 339.367 1.239 20 5 EDBDRO CO[C@@H]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000564835751 306366212 /nfs/dbraw/zinc/36/62/12/306366212.db2.gz PGBVHCDGURLAAE-WDEREUQCSA-N 1 0 339.417 1.895 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000564960172 306371297 /nfs/dbraw/zinc/37/12/97/306371297.db2.gz CIOGUHWVDDNSAR-MNOVXSKESA-N 1 0 327.406 1.528 20 5 EDBDRO O=C([C@@H]1CCCN(c2c(F)cccc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000420146507 296014835 /nfs/dbraw/zinc/01/48/35/296014835.db2.gz AHVXQHXKKOVBCS-GFCCVEGCSA-N 1 0 336.367 1.382 20 5 EDBDRO C[NH+]1CCN(C[C@H](O)COc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000414147138 304102955 /nfs/dbraw/zinc/10/29/55/304102955.db2.gz RBWRVHNTOZYWJQ-LBPRGKRZSA-N 1 0 329.784 1.235 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000359875115 201114971 /nfs/dbraw/zinc/11/49/71/201114971.db2.gz RPXPTORAMAVDJC-OAHLLOKOSA-N 1 0 328.372 1.716 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000565634448 306387998 /nfs/dbraw/zinc/38/79/98/306387998.db2.gz ODIGOHGRPKEEAF-LLVKDONJSA-N 1 0 335.360 1.880 20 5 EDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000566098808 306398930 /nfs/dbraw/zinc/39/89/30/306398930.db2.gz UXLATULHEYLKPT-MFKMUULPSA-N 1 0 335.360 1.613 20 5 EDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000566098809 306399043 /nfs/dbraw/zinc/39/90/43/306399043.db2.gz UXLATULHEYLKPT-ZWNOBZJWSA-N 1 0 335.360 1.613 20 5 EDBDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000134961683 284160672 /nfs/dbraw/zinc/16/06/72/284160672.db2.gz GWJICEZRWKHSIK-CYBMUJFWSA-N 1 0 329.360 1.885 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000044502306 204301836 /nfs/dbraw/zinc/30/18/36/204301836.db2.gz LLSHIHVPHGUCQQ-SECBINFHSA-N 1 0 333.797 1.526 20 5 EDBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195224314 139010714 /nfs/dbraw/zinc/01/07/14/139010714.db2.gz UPSBMGVMFYYVBI-TXEJJXNPSA-N 1 0 327.344 1.072 20 5 EDBDRO Cc1cccc(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000112914595 204421631 /nfs/dbraw/zinc/42/16/31/204421631.db2.gz XSAVJWGDVKKPSM-MRXNPFEDSA-N 1 0 348.447 1.905 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236982739 139037096 /nfs/dbraw/zinc/03/70/96/139037096.db2.gz MHJIFLXPYQGNSP-FUNVUKJBSA-N 1 0 339.417 1.719 20 5 EDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000124665720 204973758 /nfs/dbraw/zinc/97/37/58/204973758.db2.gz WSOYXAYNGQAMRZ-CYBMUJFWSA-N 1 0 349.391 1.566 20 5 EDBDRO Cn1cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000110653321 220052848 /nfs/dbraw/zinc/05/28/48/220052848.db2.gz RFKNCHVOWLLITE-LBPRGKRZSA-N 1 0 343.387 1.677 20 5 EDBDRO COc1cc(C(=O)N[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC(F)F ZINC000126560099 205061939 /nfs/dbraw/zinc/06/19/39/205061939.db2.gz WYWHGAGXMQSZIW-ZETCQYMHSA-N 1 0 331.275 1.297 20 5 EDBDRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000131107181 205274203 /nfs/dbraw/zinc/27/42/03/205274203.db2.gz MQOKWKMVGGFGHN-KGLIPLIRSA-N 1 0 346.387 1.118 20 5 EDBDRO C[C@H]1CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC[NH2+]1 ZINC000237728303 139058944 /nfs/dbraw/zinc/05/89/44/139058944.db2.gz RHTBILOLYDAKOJ-NSHDSACASA-N 1 0 348.359 1.103 20 5 EDBDRO [NH3+]CCCNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000237794409 139060497 /nfs/dbraw/zinc/06/04/97/139060497.db2.gz JQQVKSKJBDZHSP-UHFFFAOYSA-N 1 0 349.128 1.278 20 5 EDBDRO [NH3+][C@@H]1CC[C@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000237955112 139064959 /nfs/dbraw/zinc/06/49/59/139064959.db2.gz AGTYTLCFYPCSQG-UONOGXRCSA-N 1 0 346.387 1.007 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000161232798 205570476 /nfs/dbraw/zinc/57/04/76/205570476.db2.gz WGGKQPQLQZOKCU-CYBMUJFWSA-N 1 0 329.422 1.897 20 5 EDBDRO O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000137256558 223688910 /nfs/dbraw/zinc/68/89/10/223688910.db2.gz XUKWLUXIEOXBDR-OCCSQVGLSA-N 1 0 345.403 1.392 20 5 EDBDRO COCC[N@H+](CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000156334414 206071271 /nfs/dbraw/zinc/07/12/71/206071271.db2.gz YSSPZJFXTGVZPV-UHFFFAOYSA-N 1 0 335.360 1.733 20 5 EDBDRO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158817286 206212011 /nfs/dbraw/zinc/21/20/11/206212011.db2.gz WWYBVNLOWXKWNK-INIZCTEOSA-N 1 0 342.359 1.001 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000246649969 139116462 /nfs/dbraw/zinc/11/64/62/139116462.db2.gz GKWULKWPZYOHGE-RYUDHWBXSA-N 1 0 346.387 1.603 20 5 EDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000161304700 206340285 /nfs/dbraw/zinc/34/02/85/206340285.db2.gz SUYKIVQJEZVPFG-CQSZACIVSA-N 1 0 344.375 1.308 20 5 EDBDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415340860 304197691 /nfs/dbraw/zinc/19/76/91/304197691.db2.gz FYAKUEBECGNTPL-MRVPVSSYSA-N 1 0 326.740 1.007 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](CCO)C(C)C ZINC000161743176 206368665 /nfs/dbraw/zinc/36/86/65/206368665.db2.gz TYUMHSHHCYXVJU-CYBMUJFWSA-N 1 0 339.392 1.929 20 5 EDBDRO C[N@@H+]1CC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@H]1c1ccccc1 ZINC000248141007 139158748 /nfs/dbraw/zinc/15/87/48/139158748.db2.gz YNFBDPZFJRCWIV-XJKSGUPXSA-N 1 0 329.360 1.353 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000415390383 304212299 /nfs/dbraw/zinc/21/22/99/304212299.db2.gz GGTZQNQGPZYUMK-LBPRGKRZSA-N 1 0 334.376 1.218 20 5 EDBDRO C[C@H](C[S@](C)=O)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248634833 139169290 /nfs/dbraw/zinc/16/92/90/139169290.db2.gz UTABSHMYANFDDK-ZSDNHXBWSA-N 1 0 330.406 1.033 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000415415459 304218026 /nfs/dbraw/zinc/21/80/26/304218026.db2.gz QSXFLDXRAQZYNG-GFCCVEGCSA-N 1 0 334.376 1.348 20 5 EDBDRO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1[NH3+] ZINC000094340781 218267997 /nfs/dbraw/zinc/26/79/97/218267997.db2.gz FEVCYAOWPJBLDX-KWQFWETISA-N 1 0 333.797 1.606 20 5 EDBDRO C[C@H]1C[C@@H](C[NH3+])CN1c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000261605204 139210112 /nfs/dbraw/zinc/21/01/12/139210112.db2.gz AGHLGDQNDSSIOQ-QWRGUYRKSA-N 1 0 342.421 1.019 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC000261624886 139212335 /nfs/dbraw/zinc/21/23/35/139212335.db2.gz GONQGFPTGDCGCQ-CYBMUJFWSA-N 1 0 347.396 1.982 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000261671480 139216116 /nfs/dbraw/zinc/21/61/16/139216116.db2.gz HEWAERGZKXQJLJ-GHMZBOCLSA-N 1 0 343.405 1.270 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000261728521 139221134 /nfs/dbraw/zinc/22/11/34/139221134.db2.gz OAPYWKIXXOFKLY-UHFFFAOYSA-N 1 0 339.417 1.667 20 5 EDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000261943396 139238972 /nfs/dbraw/zinc/23/89/72/139238972.db2.gz XTUXXXJZZYRSLZ-JPZVUWATSA-N 1 0 333.388 1.996 20 5 EDBDRO NS(=O)(=O)c1ccc(NCC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000261947757 139239367 /nfs/dbraw/zinc/23/93/67/139239367.db2.gz MOHLXYBMPRDDDI-JTQLQIEISA-N 1 0 328.394 1.044 20 5 EDBDRO CN(CC(=O)N1CC[NH2+]CC1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000261963268 139240195 /nfs/dbraw/zinc/24/01/95/139240195.db2.gz YDGUKFMJVCLDJK-UHFFFAOYSA-N 1 0 329.360 1.011 20 5 EDBDRO C[C@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000262012569 139243889 /nfs/dbraw/zinc/24/38/89/139243889.db2.gz WRGCRLCWCWTQPV-UWVGGRQHSA-N 1 0 328.394 1.042 20 5 EDBDRO Cc1ccc(NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000262017462 139244174 /nfs/dbraw/zinc/24/41/74/139244174.db2.gz WSQRXLMQDVNLBP-UHFFFAOYSA-N 1 0 341.389 1.009 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000174528451 207026991 /nfs/dbraw/zinc/02/69/91/207026991.db2.gz ZLAMXFWARFBFBH-LLVKDONJSA-N 1 0 331.376 1.885 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415456881 250945012 /nfs/dbraw/zinc/94/50/12/250945012.db2.gz XAUHNCMZMDJSTR-CHWSQXEVSA-N 1 0 348.403 1.736 20 5 EDBDRO CC[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000174626871 207038079 /nfs/dbraw/zinc/03/80/79/207038079.db2.gz XPMLCSDWZFRQFH-XIHNBGGYSA-N 1 0 347.415 1.912 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC(C)(C)CCC[NH3+] ZINC000415763116 251020891 /nfs/dbraw/zinc/02/08/91/251020891.db2.gz QIAQQDZHLITHLH-UHFFFAOYSA-N 1 0 336.392 1.784 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262336196 139271087 /nfs/dbraw/zinc/27/10/87/139271087.db2.gz HGYZVFMSUBSWBG-OAHLLOKOSA-N 1 0 341.367 1.977 20 5 EDBDRO Cc1cc(C(=O)N2CC[NH+](C3CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC000175862992 207168146 /nfs/dbraw/zinc/16/81/46/207168146.db2.gz IEQSNQDCIGXZDX-UHFFFAOYSA-N 1 0 333.388 1.840 20 5 EDBDRO Cc1ccc(NCCCNC(=O)N2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000417716034 251239180 /nfs/dbraw/zinc/23/91/80/251239180.db2.gz KZKNZQPTJCTTLR-ZDUSSCGKSA-N 1 0 335.408 1.838 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000262521838 139283940 /nfs/dbraw/zinc/28/39/40/139283940.db2.gz OFCHJLJUCJTCAY-PWSUYJOCSA-N 1 0 327.406 1.509 20 5 EDBDRO COCCOc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H](C)[NH3+])cc1OC ZINC000262534031 139284677 /nfs/dbraw/zinc/28/46/77/139284677.db2.gz LQGGKWFMZQIVQK-SNVBAGLBSA-N 1 0 341.364 1.096 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000419166436 251493306 /nfs/dbraw/zinc/49/33/06/251493306.db2.gz ORABCINPBGRAFC-CQDKDKBSSA-N 1 0 348.403 1.276 20 5 EDBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000177325616 207321515 /nfs/dbraw/zinc/32/15/15/207321515.db2.gz VULPADSGNODBMP-UHFFFAOYSA-N 1 0 344.371 1.765 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N(C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000262808470 139305264 /nfs/dbraw/zinc/30/52/64/139305264.db2.gz XPBXFCGNLAMHCW-UHFFFAOYSA-N 1 0 349.384 1.348 20 5 EDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424221673 252167650 /nfs/dbraw/zinc/16/76/50/252167650.db2.gz HJJQISFDCWBBNL-UHFFFAOYSA-N 1 0 347.400 1.933 20 5 EDBDRO COc1ccc(S(=O)(=O)NCC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000181225246 533057578 /nfs/dbraw/zinc/05/75/78/533057578.db2.gz UJGMGGHWWFADMV-UHFFFAOYSA-N 1 0 343.405 1.271 20 5 EDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415679595 304254841 /nfs/dbraw/zinc/25/48/41/304254841.db2.gz PHKOWCSYZSJZNY-KCJUWKMLSA-N 1 0 340.767 1.443 20 5 EDBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000112364042 220314878 /nfs/dbraw/zinc/31/48/78/220314878.db2.gz ZVKRCRGRTOAVAF-UHFFFAOYSA-N 1 0 345.421 1.614 20 5 EDBDRO CC[N@H+](CCNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000263756000 139358159 /nfs/dbraw/zinc/35/81/59/139358159.db2.gz QQDMINBPFFINAL-GFCCVEGCSA-N 1 0 348.403 1.314 20 5 EDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492208422 255162339 /nfs/dbraw/zinc/16/23/39/255162339.db2.gz OCJADJCMZBONCE-ZQMJAJRESA-N 1 0 325.340 1.176 20 5 EDBDRO COC(=O)[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@H+](C)C1 ZINC000493460733 255209811 /nfs/dbraw/zinc/20/98/11/255209811.db2.gz MQMUJUQELLOBTD-PODYEWJSSA-N 1 0 347.371 1.171 20 5 EDBDRO CN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC([NH3+])C1 ZINC000415792311 304271970 /nfs/dbraw/zinc/27/19/70/304271970.db2.gz SAFGXWFECATSKJ-UHFFFAOYSA-N 1 0 326.740 1.135 20 5 EDBDRO C[NH2+][C@H](C)Cc1noc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)n1 ZINC000570449470 306542906 /nfs/dbraw/zinc/54/29/06/306542906.db2.gz HHKGQSDGBVGPTI-MRVPVSSYSA-N 1 0 340.361 1.199 20 5 EDBDRO COc1cc[nH+]c(N2CCN(c3c([N+](=O)[O-])c(C)nn3C)CC2)c1 ZINC000264058224 139378306 /nfs/dbraw/zinc/37/83/06/139378306.db2.gz CYIQUDBFECHRGF-UHFFFAOYSA-N 1 0 332.364 1.367 20 5 EDBDRO CS[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000270441391 140100751 /nfs/dbraw/zinc/10/07/51/140100751.db2.gz HWONDNLBSDOKPH-UONOGXRCSA-N 1 0 339.417 1.478 20 5 EDBDRO CCCc1n[nH]c(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000270544582 140120949 /nfs/dbraw/zinc/12/09/49/140120949.db2.gz YJRUUDKFZYKISD-MNOVXSKESA-N 1 0 341.437 1.388 20 5 EDBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1O ZINC000270941955 140203887 /nfs/dbraw/zinc/20/38/87/140203887.db2.gz RQJGZVDPEMHQHW-BXUZGUMPSA-N 1 0 337.376 1.635 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000271340568 140281342 /nfs/dbraw/zinc/28/13/42/140281342.db2.gz UAKYULFAHWRVFB-WPRPVWTQSA-N 1 0 347.400 1.955 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000271409430 140291976 /nfs/dbraw/zinc/29/19/76/140291976.db2.gz ODHAAYZGSYQAHD-DGCLKSJQSA-N 1 0 333.392 1.417 20 5 EDBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)[NH+](C)C ZINC000272037705 140391276 /nfs/dbraw/zinc/39/12/76/140391276.db2.gz QGYKMXKFZMWAKZ-GFCCVEGCSA-N 1 0 336.392 1.111 20 5 EDBDRO CC[NH+]1C[C@@H](C)N(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000330837346 140934722 /nfs/dbraw/zinc/93/47/22/140934722.db2.gz LZXROBZVMCELCO-ZIAGYGMSSA-N 1 0 334.420 1.972 20 5 EDBDRO CC1CC[NH+](CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000331570012 141049855 /nfs/dbraw/zinc/04/98/55/141049855.db2.gz LSOJHPRMGCAMLW-AWEZNQCLSA-N 1 0 347.419 1.735 20 5 EDBDRO C[C@@H]1CC[C@@H]([N@H+](CCO)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000331599263 141054595 /nfs/dbraw/zinc/05/45/95/141054595.db2.gz CMNZQGMYNJRAFI-UKRRQHHQSA-N 1 0 347.415 1.967 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000331848138 141088656 /nfs/dbraw/zinc/08/86/56/141088656.db2.gz GUOKJDQXXFCVSU-INIZCTEOSA-N 1 0 337.424 1.103 20 5 EDBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000331965084 141103914 /nfs/dbraw/zinc/10/39/14/141103914.db2.gz BQNCCHCYEZQPCQ-DJIMGWMZSA-N 1 0 349.431 1.893 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000331999752 141108650 /nfs/dbraw/zinc/10/86/50/141108650.db2.gz VJNUOTFZSBBGKJ-FMKPAKJESA-N 1 0 349.387 1.840 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(Cc3ccc([N+](=O)[O-])c(OC)c3)[C@@H]2C1 ZINC000339393272 142035368 /nfs/dbraw/zinc/03/53/68/142035368.db2.gz NUPKRKJLAAPFPS-CVEARBPZSA-N 1 0 335.404 1.898 20 5 EDBDRO CO[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)[C@@H](C[NH3+])C1 ZINC000261834986 285718732 /nfs/dbraw/zinc/71/87/32/285718732.db2.gz IIMSHEQLVIHFFM-VXGBXAGGSA-N 1 0 343.405 1.030 20 5 EDBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000340180353 142294183 /nfs/dbraw/zinc/29/41/83/142294183.db2.gz IOFLANZPQUWYBC-UHFFFAOYSA-N 1 0 346.391 1.297 20 5 EDBDRO COCC1(O)CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000340238944 142316412 /nfs/dbraw/zinc/31/64/12/142316412.db2.gz MBNJRZGMQRPUEU-UHFFFAOYSA-N 1 0 337.376 1.397 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000341877997 142661430 /nfs/dbraw/zinc/66/14/30/142661430.db2.gz POEPWGYOWXJFCR-OIISXLGYSA-N 1 0 346.387 1.520 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000342719736 142749312 /nfs/dbraw/zinc/74/93/12/142749312.db2.gz HAVXIDSUWBIQMY-KBPBESRZSA-N 1 0 332.404 1.632 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)cc1[N+](=O)[O-] ZINC000343775096 142887623 /nfs/dbraw/zinc/88/76/23/142887623.db2.gz FBTGRAIVUKOUCP-JZIBPQBNSA-N 1 0 345.399 1.895 20 5 EDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 ZINC000345705735 143123529 /nfs/dbraw/zinc/12/35/29/143123529.db2.gz KXJHIPJROHUWLP-HIFRSBDPSA-N 1 0 340.401 1.421 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000347983206 143387257 /nfs/dbraw/zinc/38/72/57/143387257.db2.gz ZHJUBIKBQLFOJR-CHWSQXEVSA-N 1 0 329.360 1.156 20 5 EDBDRO [NH3+][C@H]1CCc2ncc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2C1 ZINC000349058351 143476498 /nfs/dbraw/zinc/47/64/98/143476498.db2.gz SILPDAOOIWBQEM-ZDUSSCGKSA-N 1 0 326.356 1.987 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C[NH+](C)C ZINC000416507635 304326546 /nfs/dbraw/zinc/32/65/46/304326546.db2.gz LLJCQAHWORUSKW-UHFFFAOYSA-N 1 0 331.394 1.222 20 5 EDBDRO COc1cc(CCNC(=O)N(C)[C@H](C)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000416900034 304354708 /nfs/dbraw/zinc/35/47/08/304354708.db2.gz HPEUMMUVSWINBP-SNVBAGLBSA-N 1 0 340.380 1.143 20 5 EDBDRO COC(=O)COc1ccc(C[N@H+](C)CC2(CO)CC2)cc1[N+](=O)[O-] ZINC000355041730 150088647 /nfs/dbraw/zinc/08/86/47/150088647.db2.gz QGPGRMJSJVSNRI-UHFFFAOYSA-N 1 0 338.360 1.351 20 5 EDBDRO O=C(NCCNc1cc[nH+]cc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000355311455 150212009 /nfs/dbraw/zinc/21/20/09/150212009.db2.gz JZPVHQBYAYYQEK-UHFFFAOYSA-N 1 0 325.328 1.735 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000355782130 150399038 /nfs/dbraw/zinc/39/90/38/150399038.db2.gz DOZAWYXBFWUQDY-UHFFFAOYSA-N 1 0 329.404 1.689 20 5 EDBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000357967950 151215085 /nfs/dbraw/zinc/21/50/85/151215085.db2.gz ZZJOIDWLNJMCHO-OCCSQVGLSA-N 1 0 343.387 1.894 20 5 EDBDRO CSc1ccc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358067455 151255744 /nfs/dbraw/zinc/25/57/44/151255744.db2.gz PRQNEUFDDALACZ-CQSZACIVSA-N 1 0 325.390 1.113 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NC[C@@H](C2CC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000360564570 152098601 /nfs/dbraw/zinc/09/86/01/152098601.db2.gz YEZOABDQDRDWDC-HNNXBMFYSA-N 1 0 348.403 1.089 20 5 EDBDRO CNc1c(C(=O)NC[C@]2([NH+](C)C)CCSC2)cccc1[N+](=O)[O-] ZINC000360952261 152261623 /nfs/dbraw/zinc/26/16/23/152261623.db2.gz YHUKRSQYGVNAOX-OAHLLOKOSA-N 1 0 338.433 1.804 20 5 EDBDRO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000363593486 153008835 /nfs/dbraw/zinc/00/88/35/153008835.db2.gz YPRCHDRPVKTNAE-UONOGXRCSA-N 1 0 335.408 1.657 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000417194341 304383115 /nfs/dbraw/zinc/38/31/15/304383115.db2.gz PXQROUMYIRCABE-CYBMUJFWSA-N 1 0 336.392 1.744 20 5 EDBDRO Cc1cc(N2CCC(O)(C[NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000364725260 153314872 /nfs/dbraw/zinc/31/48/72/153314872.db2.gz ZHLLXGOZJXLZEZ-UHFFFAOYSA-N 1 0 335.404 1.567 20 5 EDBDRO [NH3+][C@H]1CCN(C(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]23)C1 ZINC000364872741 153358065 /nfs/dbraw/zinc/35/80/65/153358065.db2.gz ZMNJSFQENXIIRW-JLJPHGGASA-N 1 0 344.415 1.686 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@H]2C)c1C ZINC000262753961 292291494 /nfs/dbraw/zinc/29/14/94/292291494.db2.gz HEIRIGANPQAECP-NWDGAFQWSA-N 1 0 327.406 1.583 20 5 EDBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000367650874 154214593 /nfs/dbraw/zinc/21/45/93/154214593.db2.gz LILIPNFBOPXKTJ-CLLJXQQHSA-N 1 0 341.371 1.875 20 5 EDBDRO Cn1cc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000367839503 154293147 /nfs/dbraw/zinc/29/31/47/154293147.db2.gz MECWCVILHHYYKC-ZSHCYNCHSA-N 1 0 328.372 1.665 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)cc([N+](=O)[O-])c1F ZINC000369065754 154856444 /nfs/dbraw/zinc/85/64/44/154856444.db2.gz PVHTUICAUYOIED-SNVBAGLBSA-N 1 0 331.369 1.463 20 5 EDBDRO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000371584930 156016473 /nfs/dbraw/zinc/01/64/73/156016473.db2.gz CYZVWYHGLOTTDT-GDBMZVCRSA-N 1 0 335.379 1.819 20 5 EDBDRO CCc1n[nH]c(C(=O)N[C@@H]2CCCN(c3ccccn3)C2)c1[N+](=O)[O-] ZINC000372457148 156399386 /nfs/dbraw/zinc/39/93/86/156399386.db2.gz IXDUUBAGBOQUOG-LLVKDONJSA-N 1 0 344.375 1.674 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc([N+](=O)[O-])c1F ZINC000373886557 157049901 /nfs/dbraw/zinc/04/99/01/157049901.db2.gz TYEFVOIUHNONOG-ZYHUDNBSSA-N 1 0 343.380 1.415 20 5 EDBDRO O=C(C[N@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000374067694 157130223 /nfs/dbraw/zinc/13/02/23/157130223.db2.gz HTYWMECKJXIJSJ-XPKDYRNWSA-N 1 0 349.387 1.395 20 5 EDBDRO C[N@@H+]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000374314259 157239170 /nfs/dbraw/zinc/23/91/70/157239170.db2.gz CGBAUNSZYDLQMD-HUUCEWRRSA-N 1 0 329.360 1.005 20 5 EDBDRO Cc1cc(C(=O)N2CC[C@@H](c3nccn3C)C2)c(N)c([N+](=O)[O-])c1 ZINC000374332907 157247276 /nfs/dbraw/zinc/24/72/76/157247276.db2.gz PKZYHCACBHYPQB-LLVKDONJSA-N 1 0 329.360 1.849 20 5 EDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000374684895 157366675 /nfs/dbraw/zinc/36/66/75/157366675.db2.gz BLQPFXPKAPBDNY-QGZVFWFLSA-N 1 0 347.415 1.849 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000575802924 306672122 /nfs/dbraw/zinc/67/21/22/306672122.db2.gz XVRMEZCDIGWCCS-CYBMUJFWSA-N 1 0 344.375 1.431 20 5 EDBDRO Cc1nnc([C@H]2CC23CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC3)o1 ZINC000377933216 158032413 /nfs/dbraw/zinc/03/24/13/158032413.db2.gz UDSXBBBFKVOSBM-CYBMUJFWSA-N 1 0 332.364 1.752 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000378538932 158203632 /nfs/dbraw/zinc/20/36/32/158203632.db2.gz HVPZGDCCBHQKPJ-OUCADQQQSA-N 1 0 330.388 1.733 20 5 EDBDRO CC1(C)C[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CO1 ZINC000417934205 304434109 /nfs/dbraw/zinc/43/41/09/304434109.db2.gz PBQLBDTUHHALFQ-NSHDSACASA-N 1 0 343.405 1.030 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352519637 162226828 /nfs/dbraw/zinc/22/68/28/162226828.db2.gz QJNQANQDXKEOBZ-INIZCTEOSA-N 1 0 334.420 1.473 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000362018591 162306709 /nfs/dbraw/zinc/30/67/09/162306709.db2.gz BWAHVVWHFJGDJT-OCCSQVGLSA-N 1 0 339.417 1.618 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCCN3CCOCC3)C2)nc1 ZINC000072665177 287255389 /nfs/dbraw/zinc/25/53/89/287255389.db2.gz CDQCMIZFMUFPAY-AWEZNQCLSA-N 1 0 335.408 1.198 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000076925664 287286416 /nfs/dbraw/zinc/28/64/16/287286416.db2.gz QJHQYRFPFOHVDE-MRXNPFEDSA-N 1 0 343.387 1.851 20 5 EDBDRO CC1CCC([NH+]2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)CC1 ZINC000090549602 287331162 /nfs/dbraw/zinc/33/11/62/287331162.db2.gz WYHAGQRYXHOUKJ-UHFFFAOYSA-N 1 0 348.447 1.953 20 5 EDBDRO Cc1nn(C)c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000128562318 287459886 /nfs/dbraw/zinc/45/98/86/287459886.db2.gz KEPOAACYOAKOBE-JTQLQIEISA-N 1 0 337.405 1.731 20 5 EDBDRO COCCOCCOCCC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000274399051 268135019 /nfs/dbraw/zinc/13/50/19/268135019.db2.gz MLDXYSOCVRZAMZ-UHFFFAOYSA-N 1 0 342.392 1.763 20 5 EDBDRO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C1)CCCC2 ZINC000275389829 268334880 /nfs/dbraw/zinc/33/48/80/268334880.db2.gz AHLZRSRPWZRZIS-NSHDSACASA-N 1 0 344.375 1.789 20 5 EDBDRO NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000275577327 268363205 /nfs/dbraw/zinc/36/32/05/268363205.db2.gz OTGPBBIFJFABIQ-GFCCVEGCSA-N 1 0 329.360 1.242 20 5 EDBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cnn(C)c1 ZINC000273244035 273035470 /nfs/dbraw/zinc/03/54/70/273035470.db2.gz AWRRJDJQONDBJA-NSHDSACASA-N 1 0 329.360 1.568 20 5 EDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000047037866 272913190 /nfs/dbraw/zinc/91/31/90/272913190.db2.gz XRWSIKJIULKSOT-ZIAGYGMSSA-N 1 0 337.424 1.666 20 5 EDBDRO CC[NH+]1CCN([C@H]2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000276283904 273157331 /nfs/dbraw/zinc/15/73/31/273157331.db2.gz GKHATLIXDOZXOY-HNNXBMFYSA-N 1 0 336.411 1.946 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000278048328 273243685 /nfs/dbraw/zinc/24/36/85/273243685.db2.gz SRQMMONWHKKDQB-UHFFFAOYSA-N 1 0 334.420 1.659 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@](C)(CN)C1CC1 ZINC000430552920 274118682 /nfs/dbraw/zinc/11/86/82/274118682.db2.gz OCDVSRPBOFXZSP-INIZCTEOSA-N 1 0 336.392 1.649 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H]1C ZINC000357324304 274272784 /nfs/dbraw/zinc/27/27/84/274272784.db2.gz POADWYSKVNKLEP-VXGBXAGGSA-N 1 0 331.376 1.429 20 5 EDBDRO COC[C@@H]1C[C@H](OC)C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000284689270 274295446 /nfs/dbraw/zinc/29/54/46/274295446.db2.gz PUEBMLTZCNHATL-DZKIICNBSA-N 1 0 340.376 1.070 20 5 EDBDRO O=C1[C@@H]([N@@H+]2CC[C@]3(CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000153801968 275028173 /nfs/dbraw/zinc/02/81/73/275028173.db2.gz PZIRDBAWHOAFOG-RDJZCZTQSA-N 1 0 331.372 1.813 20 5 EDBDRO CC[NH+]1CCN(CCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000254925419 287824709 /nfs/dbraw/zinc/82/47/09/287824709.db2.gz POZFVCDSQLOOKL-SREVYHEPSA-N 1 0 332.404 1.362 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272566219 277143589 /nfs/dbraw/zinc/14/35/89/277143589.db2.gz FINFSJNNEFFXDI-YGRLFVJLSA-N 1 0 334.332 1.669 20 5 EDBDRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000452085412 277298791 /nfs/dbraw/zinc/29/87/91/277298791.db2.gz OEZHLKGBRVTLGG-UHFFFAOYSA-N 1 0 327.406 1.748 20 5 EDBDRO CS(=O)(=O)c1cccc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1[N+](=O)[O-] ZINC000261924376 278121026 /nfs/dbraw/zinc/12/10/26/278121026.db2.gz RZCGRXFOVMDTSL-QJPTWQEYSA-N 1 0 339.417 1.562 20 5 EDBDRO C[C@H](Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000420169919 278285804 /nfs/dbraw/zinc/28/58/04/278285804.db2.gz RMQMIKFRCOHELJ-VHSXEESVSA-N 1 0 328.394 1.042 20 5 EDBDRO C[C@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000347588515 279297897 /nfs/dbraw/zinc/29/78/97/279297897.db2.gz OPHNIOGCKQTXQB-ZCFIWIBFSA-N 1 0 327.284 1.239 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368379353 280190991 /nfs/dbraw/zinc/19/09/91/280190991.db2.gz UCCSQOKFRUXBMB-QPUJVOFHSA-N 1 0 340.177 1.791 20 5 EDBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@@H](CO)C[NH+]2CCCCC2)s1 ZINC000450518247 280361306 /nfs/dbraw/zinc/36/13/06/280361306.db2.gz INWDSMURKKQHKI-SNVBAGLBSA-N 1 0 337.405 1.858 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000366304277 280656019 /nfs/dbraw/zinc/65/60/19/280656019.db2.gz JDCVURAQPKNIDI-OCCSQVGLSA-N 1 0 339.417 1.584 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000261974088 280927901 /nfs/dbraw/zinc/92/79/01/280927901.db2.gz QLRYFGLYZOKUHV-GFCCVEGCSA-N 1 0 327.406 1.795 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[NH+]1CCCC1 ZINC000290627865 288927226 /nfs/dbraw/zinc/92/72/26/288927226.db2.gz ZNPKEHXJIPWQNV-UHFFFAOYSA-N 1 0 348.403 1.698 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000291200852 289017116 /nfs/dbraw/zinc/01/71/16/289017116.db2.gz GAROLKLQPMYCQQ-AWEZNQCLSA-N 1 0 327.360 1.120 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000291741784 289167000 /nfs/dbraw/zinc/16/70/00/289167000.db2.gz JZILOSXPKGRIDZ-GJZGRUSLSA-N 1 0 332.360 1.478 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2c3ccccc3CC[C@@H]2C[NH+](C)C)n1 ZINC000332051662 289214413 /nfs/dbraw/zinc/21/44/13/289214413.db2.gz MUCCYGBASSQKHN-CYBMUJFWSA-N 1 0 343.387 1.852 20 5 EDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000291959130 289225887 /nfs/dbraw/zinc/22/58/87/289225887.db2.gz NZPPAUAUVILUEU-QGZVFWFLSA-N 1 0 332.404 1.875 20 5 EDBDRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292011726 289238397 /nfs/dbraw/zinc/23/83/97/289238397.db2.gz MTXRFFIDLUZFHI-CQSZACIVSA-N 1 0 325.390 1.311 20 5 EDBDRO COc1cc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000237227762 295015559 /nfs/dbraw/zinc/01/55/59/295015559.db2.gz LBOHUIFQYOMWRA-PWSUYJOCSA-N 1 0 343.405 1.494 20 5 EDBDRO [NH3+]C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000044528901 295269084 /nfs/dbraw/zinc/26/90/84/295269084.db2.gz QJHKCGYAGUDLCE-SECBINFHSA-N 1 0 333.797 1.608 20 5 EDBDRO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420442831 304758760 /nfs/dbraw/zinc/75/87/60/304758760.db2.gz FDNKAHRLBBFUDH-ZDUSSCGKSA-N 1 0 329.422 1.430 20 5 EDBDRO COc1ccc(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420462485 304760945 /nfs/dbraw/zinc/76/09/45/304760945.db2.gz HTXWQFUZJKYJKL-WDEREUQCSA-N 1 0 343.405 1.399 20 5 EDBDRO CC(C)[C@@]1(CO)CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000377721260 447316454 /nfs/dbraw/zinc/31/64/54/447316454.db2.gz JOJSTDKNTLBAQR-SFHVURJKSA-N 1 0 347.415 1.824 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000294174710 303073042 /nfs/dbraw/zinc/07/30/42/303073042.db2.gz ORIFZIWQPRRDLB-INIZCTEOSA-N 1 0 335.408 1.434 20 5 EDBDRO Cc1cc(F)c(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000296778531 303337132 /nfs/dbraw/zinc/33/71/32/303337132.db2.gz PMCGFDCCAVACNT-NSHDSACASA-N 1 0 340.355 1.837 20 5 EDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000296941191 303349204 /nfs/dbraw/zinc/34/92/04/303349204.db2.gz MVGASRHEQULBKF-GFCCVEGCSA-N 1 0 349.387 1.922 20 5 EDBDRO COc1ccc(S(=O)(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000391422995 303850658 /nfs/dbraw/zinc/85/06/58/303850658.db2.gz FRROPRVFQMRYHS-QMTHXVAHSA-N 1 0 343.405 1.209 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(C(=O)N(C)C)CC1 ZINC000411910459 303931536 /nfs/dbraw/zinc/93/15/36/303931536.db2.gz IKHKEKCMXGYBME-UHFFFAOYSA-N 1 0 334.376 1.442 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc([N+](=O)[O-])c1 ZINC000423747613 304907899 /nfs/dbraw/zinc/90/78/99/304907899.db2.gz QMUVCVMZUGFQOK-CQSZACIVSA-N 1 0 349.387 1.889 20 5 EDBDRO C[C@@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@@H]1C[NH3+] ZINC000424006149 304924381 /nfs/dbraw/zinc/92/43/81/304924381.db2.gz UDGXZQZENJITHM-OLZOCXBDSA-N 1 0 343.387 1.837 20 5 EDBDRO CS[C@H]1CC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000424612338 304934616 /nfs/dbraw/zinc/93/46/16/304934616.db2.gz FTBHWQKLYBCQSZ-STQMWFEESA-N 1 0 330.431 1.852 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1[NH3+] ZINC000429146516 305024534 /nfs/dbraw/zinc/02/45/34/305024534.db2.gz ZZALQJZBOVPWQV-RISCZKNCSA-N 1 0 329.360 1.590 20 5 EDBDRO O=[N+]([O-])c1cccc(N2CCN(CC[N@@H+]3CCCOCC3)CC2)c1 ZINC000429707598 305035571 /nfs/dbraw/zinc/03/55/71/305035571.db2.gz JMUPPLQGAIANTQ-UHFFFAOYSA-N 1 0 334.420 1.439 20 5 EDBDRO CN(CC(=O)NC[C@H]1[NH2+]CCCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000430720251 305063182 /nfs/dbraw/zinc/06/31/82/305063182.db2.gz MGAOGBQPGRIXMF-OAHLLOKOSA-N 1 0 334.420 1.925 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000432366251 305092224 /nfs/dbraw/zinc/09/22/24/305092224.db2.gz DGBSYLDRNMWGPX-WCQYABFASA-N 1 0 338.360 1.661 20 5 EDBDRO CCc1nn(C)c(NCCC[N@@H+]2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000432850120 305096116 /nfs/dbraw/zinc/09/61/16/305096116.db2.gz DPEUPIGQTBKJLW-LBPRGKRZSA-N 1 0 325.413 1.804 20 5 EDBDRO Cc1c(NC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)cccc1[N+](=O)[O-] ZINC000433382352 305107051 /nfs/dbraw/zinc/10/70/51/305107051.db2.gz CUXHHZRCEJHZQD-LLVKDONJSA-N 1 0 330.348 1.672 20 5 EDBDRO C[C@@H](NC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)c1cccc([N+](=O)[O-])c1 ZINC000433385214 305107120 /nfs/dbraw/zinc/10/71/20/305107120.db2.gz BBVMKBJIVOHSTH-RISCZKNCSA-N 1 0 344.375 1.602 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435234701 305137549 /nfs/dbraw/zinc/13/75/49/305137549.db2.gz JJPVOQXJGWQPDH-XHDPSFHLSA-N 1 0 346.387 1.066 20 5 EDBDRO CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[NH2+]CC1 ZINC000435611450 305143346 /nfs/dbraw/zinc/14/33/46/305143346.db2.gz SGBCELWMXAUALP-AWEZNQCLSA-N 1 0 332.404 1.558 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000440437340 305206786 /nfs/dbraw/zinc/20/67/86/305206786.db2.gz CEANHPOGNRHXCQ-GXFFZTMASA-N 1 0 327.406 1.515 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000442144635 305226190 /nfs/dbraw/zinc/22/61/90/305226190.db2.gz IHLYAEQIZGJBDO-YPMHNXCESA-N 1 0 334.376 1.441 20 5 EDBDRO CC(C)COC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447543327 305281768 /nfs/dbraw/zinc/28/17/68/305281768.db2.gz RWZQSZHJRVARFN-QLFBSQMISA-N 1 0 340.424 1.898 20 5 EDBDRO COc1cc(C(=O)N2CCC([NH+](C)C)CC2)c([N+](=O)[O-])cc1F ZINC000448941356 305305256 /nfs/dbraw/zinc/30/52/56/305305256.db2.gz LUIPILYFBOXMBZ-UHFFFAOYSA-N 1 0 325.340 1.909 20 5 EDBDRO COc1cc(CCNC(=O)[C@@H](C)[NH2+]C2CC2)c([N+](=O)[O-])cc1OC ZINC000449072226 305305761 /nfs/dbraw/zinc/30/57/61/305305761.db2.gz PFQLIFKTVUVXEB-SNVBAGLBSA-N 1 0 337.376 1.411 20 5 EDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000449179529 305308991 /nfs/dbraw/zinc/30/89/91/305308991.db2.gz WCVSRPXQHTWJQF-BBRMVZONSA-N 1 0 347.415 1.895 20 5 EDBDRO COCC(COC)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449541821 305313459 /nfs/dbraw/zinc/31/34/59/305313459.db2.gz KXEFCESUCHSVAZ-NSHDSACASA-N 1 0 325.365 1.563 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@H](O)C[C@@H]3[C@H]3CCCOC3)nc2c1 ZINC000451307096 305337954 /nfs/dbraw/zinc/33/79/54/305337954.db2.gz TZSQMQWLEZSIDU-NORZTCDRSA-N 1 0 346.387 1.833 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451341783 305340392 /nfs/dbraw/zinc/34/03/92/305340392.db2.gz LVKUEAAMKSSYDX-ARFHVFGLSA-N 1 0 335.404 1.772 20 5 EDBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000451511849 305350330 /nfs/dbraw/zinc/35/03/30/305350330.db2.gz ZMENMOQMXBJDOQ-BFHYXJOUSA-N 1 0 326.397 1.334 20 5 EDBDRO CN(C(=O)C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000451611297 305356197 /nfs/dbraw/zinc/35/61/97/305356197.db2.gz OYYRTIPBWWCZSO-FUHWJXTLSA-N 1 0 347.415 1.944 20 5 EDBDRO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc([N+](=O)[O-])cc1 ZINC000452348781 305390972 /nfs/dbraw/zinc/39/09/72/305390972.db2.gz AQZZRPDFORWGEE-INIZCTEOSA-N 1 0 349.431 1.835 20 5 EDBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000452395419 305397840 /nfs/dbraw/zinc/39/78/40/305397840.db2.gz WPRILGUZKFUXRV-GFCCVEGCSA-N 1 0 347.375 1.048 20 5 EDBDRO CCc1nncn1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000514595558 305699849 /nfs/dbraw/zinc/69/98/49/305699849.db2.gz DDNKMFNVEFYRCE-CHWSQXEVSA-N 1 0 333.396 1.719 20 5 EDBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000547761932 306110855 /nfs/dbraw/zinc/11/08/55/306110855.db2.gz KBLGKNJCGUOFID-UHFFFAOYSA-N 1 0 331.376 1.958 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000556935469 306221422 /nfs/dbraw/zinc/22/14/22/306221422.db2.gz FXQKEYYOBBKGBL-LYRGGWFBSA-N 1 0 349.387 1.624 20 5 EDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000493810884 447400602 /nfs/dbraw/zinc/40/06/02/447400602.db2.gz ALPNGQNQTXKUAP-WHLNPGIBSA-N 1 0 333.388 1.571 20 5 EDBDRO COc1cc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000449879666 447406681 /nfs/dbraw/zinc/40/66/81/447406681.db2.gz IVUJEBFHFSCYGY-JTQLQIEISA-N 1 0 341.339 1.145 20 5 EDBDRO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[C@H]1CCC[N@H+](C)C1 ZINC000449945777 447417581 /nfs/dbraw/zinc/41/75/81/447417581.db2.gz RRSDHBWPJXSMRX-AWEZNQCLSA-N 1 0 343.387 1.947 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000057838557 441137494 /nfs/dbraw/zinc/13/74/94/441137494.db2.gz SMPKFMBVAYVMKK-NSHDSACASA-N 1 0 327.406 1.529 20 5 EDBDRO C[C@@H]1C[NH+](CCCNC(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000047433319 441188465 /nfs/dbraw/zinc/18/84/65/441188465.db2.gz FXUZESCTVSWYOZ-ZIAGYGMSSA-N 1 0 335.404 1.753 20 5 EDBDRO CC[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000058746882 441210492 /nfs/dbraw/zinc/21/04/92/441210492.db2.gz KXNGGZQBKAPNNC-UHFFFAOYSA-N 1 0 326.784 1.824 20 5 EDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000047633036 441212542 /nfs/dbraw/zinc/21/25/42/441212542.db2.gz PFVWHMUSWKCANE-INIZCTEOSA-N 1 0 347.415 1.851 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000081729351 441305681 /nfs/dbraw/zinc/30/56/81/441305681.db2.gz BLHPSSJVIXUARV-DOMZBBRYSA-N 1 0 348.403 1.123 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000063745481 441349324 /nfs/dbraw/zinc/34/93/24/441349324.db2.gz SFABWVPBAXZUPZ-UHFFFAOYSA-N 1 0 349.435 1.906 20 5 EDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)NC(C)(C)C ZINC000026262631 441373208 /nfs/dbraw/zinc/37/32/08/441373208.db2.gz HOODOBUFINCQHM-UHFFFAOYSA-N 1 0 336.392 1.770 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC000075748429 441553446 /nfs/dbraw/zinc/55/34/46/441553446.db2.gz AOPLGCYGTVUXEU-HOTGVXAUSA-N 1 0 348.428 1.942 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000113645705 441621709 /nfs/dbraw/zinc/62/17/09/441621709.db2.gz DILCCMYKIYEUDE-GFCCVEGCSA-N 1 0 334.376 1.252 20 5 EDBDRO COc1ccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000076456515 441647765 /nfs/dbraw/zinc/64/77/65/441647765.db2.gz QAOHDSSNMFGJKZ-OAHLLOKOSA-N 1 0 335.404 1.900 20 5 EDBDRO COc1ccc(CC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000067906962 441695397 /nfs/dbraw/zinc/69/53/97/441695397.db2.gz QXUKGZQIGZFQCU-UONOGXRCSA-N 1 0 333.388 1.889 20 5 EDBDRO CC(C)[N@H+](C)CCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000042104895 441704762 /nfs/dbraw/zinc/70/47/62/441704762.db2.gz ZCNHPXGRAYUYPF-UHFFFAOYSA-N 1 0 330.410 1.384 20 5 EDBDRO CN(C)C(=O)C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068367689 441784965 /nfs/dbraw/zinc/78/49/65/441784965.db2.gz DQIITQWUJZPDPS-UHFFFAOYSA-N 1 0 348.403 1.724 20 5 EDBDRO CN(CC1CC[NH+](C)CC1)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000068392259 441789195 /nfs/dbraw/zinc/78/91/95/441789195.db2.gz XLKOUXIGYSTGAY-UHFFFAOYSA-N 1 0 349.387 1.586 20 5 EDBDRO CNC(=O)c1ccc(NC[C@H]2CCC[N@@H+]2CCOC)c([N+](=O)[O-])c1 ZINC000068910804 441867323 /nfs/dbraw/zinc/86/73/23/441867323.db2.gz ZHHIHFQBGKGDCP-CYBMUJFWSA-N 1 0 336.392 1.477 20 5 EDBDRO CCNS(=O)(=O)[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000092843436 441832539 /nfs/dbraw/zinc/83/25/39/441832539.db2.gz JYUJYWWRCXXYRN-AWEZNQCLSA-N 1 0 327.406 1.151 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000069129485 441896032 /nfs/dbraw/zinc/89/60/32/441896032.db2.gz BKGKLUVFICTIRG-SNVBAGLBSA-N 1 0 327.406 1.664 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000078576499 441946972 /nfs/dbraw/zinc/94/69/72/441946972.db2.gz JTKPXEPXTIIXFX-NSHDSACASA-N 1 0 342.421 1.163 20 5 EDBDRO COc1cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000150812764 441955799 /nfs/dbraw/zinc/95/57/99/441955799.db2.gz RVQIAYAXCAHZLA-NSHDSACASA-N 1 0 343.405 1.318 20 5 EDBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000150814020 441955978 /nfs/dbraw/zinc/95/59/78/441955978.db2.gz ZZCCQYTYNOBQTG-UHFFFAOYSA-N 1 0 345.421 1.614 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)c1 ZINC000174737856 441962731 /nfs/dbraw/zinc/96/27/31/441962731.db2.gz PRQILLNAOXSXJD-RDJZCZTQSA-N 1 0 348.378 1.998 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161143655 441963452 /nfs/dbraw/zinc/96/34/52/441963452.db2.gz HKVPXHDEARSVGQ-DRZSPHRISA-N 1 0 334.376 1.099 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1C ZINC000125207867 441997026 /nfs/dbraw/zinc/99/70/26/441997026.db2.gz CBICKYFXIOKMIU-NWDGAFQWSA-N 1 0 327.406 1.760 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000163089581 442142356 /nfs/dbraw/zinc/14/23/56/442142356.db2.gz WSEAMAAJIVFALA-VXGBXAGGSA-N 1 0 337.376 1.947 20 5 EDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000163154887 442147310 /nfs/dbraw/zinc/14/73/10/442147310.db2.gz GSWOKHKOJJAXEG-TVQRCGJNSA-N 1 0 325.390 1.505 20 5 EDBDRO CC(C)[C@H](C)NC(=O)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176222276 442194872 /nfs/dbraw/zinc/19/48/72/442194872.db2.gz REBBKAFSJLDDIG-ZDUSSCGKSA-N 1 0 337.424 1.664 20 5 EDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000152536586 442223266 /nfs/dbraw/zinc/22/32/66/442223266.db2.gz ALGLCDAHGHFTDN-INIZCTEOSA-N 1 0 336.392 1.212 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000128628759 442279003 /nfs/dbraw/zinc/27/90/03/442279003.db2.gz XNIKEFDHSUBMNM-GJZGRUSLSA-N 1 0 331.376 1.727 20 5 EDBDRO COc1cc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000177066006 442293072 /nfs/dbraw/zinc/29/30/72/442293072.db2.gz AKYBXDAUSVHFIY-MNOVXSKESA-N 1 0 349.387 1.967 20 5 EDBDRO COC(=O)[C@H](C)CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000153737452 442299186 /nfs/dbraw/zinc/29/91/86/442299186.db2.gz ASTBQVLKJCCKLM-GFCCVEGCSA-N 1 0 349.387 1.831 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CCN(C)C[C@H]2C(C)C)cc([N+](=O)[O-])c1 ZINC000154117191 442321837 /nfs/dbraw/zinc/32/18/37/442321837.db2.gz PRVSYSMKZFPSHO-HNNXBMFYSA-N 1 0 349.387 1.794 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000171628701 442364343 /nfs/dbraw/zinc/36/43/43/442364343.db2.gz YIGJMLKOVFHRFH-LLVKDONJSA-N 1 0 327.406 1.651 20 5 EDBDRO CCC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000155070954 442373909 /nfs/dbraw/zinc/37/39/09/442373909.db2.gz QIZIVGPVOCJGBI-UHFFFAOYSA-N 1 0 348.403 1.786 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccc(F)cc1 ZINC000130779917 442356134 /nfs/dbraw/zinc/35/61/34/442356134.db2.gz UVMMFPIYLSOXCJ-AWEZNQCLSA-N 1 0 348.334 1.867 20 5 EDBDRO C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1nnnn1-c1ccccc1 ZINC000131002047 442362002 /nfs/dbraw/zinc/36/20/02/442362002.db2.gz OSMMQKFKCFGXIG-LLVKDONJSA-N 1 0 328.336 1.118 20 5 EDBDRO COc1cc(CCNC(=O)[C@H]2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000178348606 442426272 /nfs/dbraw/zinc/42/62/72/442426272.db2.gz PRNNSOMDGVWDFZ-NWDGAFQWSA-N 1 0 337.376 1.398 20 5 EDBDRO COc1cc(CCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000178348568 442426421 /nfs/dbraw/zinc/42/64/21/442426421.db2.gz PRNNSOMDGVWDFZ-NEPJUHHUSA-N 1 0 337.376 1.398 20 5 EDBDRO COCC[C@](C)(O)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000178373593 442428729 /nfs/dbraw/zinc/42/87/29/442428729.db2.gz WOMACERQDZLYMX-LRDDRELGSA-N 1 0 339.392 1.689 20 5 EDBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000133761156 442432428 /nfs/dbraw/zinc/43/24/28/442432428.db2.gz NOHQDDPXAHYAFW-LBPRGKRZSA-N 1 0 329.360 1.605 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH3+])C2)cc1SC ZINC000178530990 442442160 /nfs/dbraw/zinc/44/21/60/442442160.db2.gz FARATEQUKAKJLX-SECBINFHSA-N 1 0 325.390 1.746 20 5 EDBDRO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000134353718 442472850 /nfs/dbraw/zinc/47/28/50/442472850.db2.gz SYFHCHNDGQUUPF-HNNXBMFYSA-N 1 0 341.433 1.539 20 5 EDBDRO C[C@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000178979034 442544163 /nfs/dbraw/zinc/54/41/63/442544163.db2.gz KTARFFSUMXIFGD-SWLSCSKDSA-N 1 0 341.433 1.922 20 5 EDBDRO COc1cc(CCNC(=O)[C@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000191994961 442558708 /nfs/dbraw/zinc/55/87/08/442558708.db2.gz JLDIYROCARCLMY-NXEZZACHSA-N 1 0 325.365 1.254 20 5 EDBDRO CC[NH+](CC)CCSc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000172821232 442549595 /nfs/dbraw/zinc/54/95/95/442549595.db2.gz QCTWURCHSMCBNQ-UHFFFAOYSA-N 1 0 333.435 1.676 20 5 EDBDRO COC(=O)c1cc(C(=O)N(C)CC[N@H+](C)C2CC2)cc([N+](=O)[O-])c1 ZINC000186729862 442603064 /nfs/dbraw/zinc/60/30/64/442603064.db2.gz SXEVYZCPOVCYEV-UHFFFAOYSA-N 1 0 335.360 1.548 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173262889 442635236 /nfs/dbraw/zinc/63/52/36/442635236.db2.gz XTFOYJPXKBCGOP-CQSZACIVSA-N 1 0 348.403 1.137 20 5 EDBDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000173272498 442638886 /nfs/dbraw/zinc/63/88/86/442638886.db2.gz KLBYEHJKEMFTNV-IUODEOHRSA-N 1 0 341.433 1.839 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000192662225 442674199 /nfs/dbraw/zinc/67/41/99/442674199.db2.gz DEWJAZPKBZZWEM-NSHDSACASA-N 1 0 343.405 1.366 20 5 EDBDRO Cn1cc(C[NH2+]CCCOCCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000181218305 442685041 /nfs/dbraw/zinc/68/50/41/442685041.db2.gz IWZHAJCLCVAAGZ-UHFFFAOYSA-N 1 0 334.376 1.484 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000192850418 442692482 /nfs/dbraw/zinc/69/24/82/442692482.db2.gz CVPKPNNWLRMYRH-UHFFFAOYSA-N 1 0 329.422 1.769 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000180980621 442673093 /nfs/dbraw/zinc/67/30/93/442673093.db2.gz BAYLIOPCAWEHRX-UHFFFAOYSA-N 1 0 334.376 1.361 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)NCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000188148749 442716926 /nfs/dbraw/zinc/71/69/26/442716926.db2.gz GOMRHDBJLILYNO-UHFFFAOYSA-N 1 0 349.384 1.361 20 5 EDBDRO NC(=O)C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000181952901 442723424 /nfs/dbraw/zinc/72/34/24/442723424.db2.gz VEDXOAQTOHISTJ-ZDUSSCGKSA-N 1 0 337.376 1.234 20 5 EDBDRO NC(=O)C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000181960292 442723512 /nfs/dbraw/zinc/72/35/12/442723512.db2.gz YZVIMLGLOSWLEN-ZDUSSCGKSA-N 1 0 325.340 1.494 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000193401688 442739331 /nfs/dbraw/zinc/73/93/31/442739331.db2.gz BRJACNAVVFAVPT-MFKMUULPSA-N 1 0 327.406 1.434 20 5 EDBDRO CCCC[N@H+](CCCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000182146526 442739793 /nfs/dbraw/zinc/73/97/93/442739793.db2.gz GBMHFPNQQZJUHW-UHFFFAOYSA-N 1 0 335.404 1.968 20 5 EDBDRO C[N@H+](CCc1ccccn1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182168917 442741686 /nfs/dbraw/zinc/74/16/86/442741686.db2.gz UAKNHNNETPBZIE-OAHLLOKOSA-N 1 0 331.372 1.904 20 5 EDBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000193642896 442762853 /nfs/dbraw/zinc/76/28/53/442762853.db2.gz OXSDUVXOJZSYOB-UHFFFAOYSA-N 1 0 349.366 1.521 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000246745398 442810010 /nfs/dbraw/zinc/81/00/10/442810010.db2.gz NLDWYBIHPCNBFX-AGKLADILSA-N 1 0 333.388 1.522 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000248585018 442903398 /nfs/dbraw/zinc/90/33/98/442903398.db2.gz FYTLUHYKDIGCLQ-MRVWCRGKSA-N 1 0 325.390 1.094 20 5 EDBDRO COCCO[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000189727883 442998375 /nfs/dbraw/zinc/99/83/75/442998375.db2.gz FQHJKOPGWNAUBU-ZDUSSCGKSA-N 1 0 337.376 1.661 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000265943427 442978968 /nfs/dbraw/zinc/97/89/68/442978968.db2.gz IPSALKUPOFBJKW-SMDDNHRTSA-N 1 0 339.367 1.911 20 5 EDBDRO C[C@H]1C[C@H](N(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000265990679 442995908 /nfs/dbraw/zinc/99/59/08/442995908.db2.gz MBRIKGLAKGEBCS-NWDGAFQWSA-N 1 0 349.387 1.921 20 5 EDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC1(O)CCOCC1 ZINC000189784293 443009759 /nfs/dbraw/zinc/00/97/59/443009759.db2.gz DKPLUJJDPMPOLI-LBPRGKRZSA-N 1 0 337.376 1.395 20 5 EDBDRO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000184509236 443031976 /nfs/dbraw/zinc/03/19/76/443031976.db2.gz IDZIGLODLPDILT-ZDUSSCGKSA-N 1 0 348.403 1.751 20 5 EDBDRO CC[C@@H](C)[NH+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296232073 318677363 /nfs/dbraw/zinc/67/73/63/318677363.db2.gz WQSJBAHIKIGBGX-CQSZACIVSA-N 1 0 334.420 1.974 20 5 EDBDRO CC[NH+]1CCN([C@@H]2CCN(c3cc(OC)ccc3[N+](=O)[O-])C2)CC1 ZINC000266326276 443098312 /nfs/dbraw/zinc/09/83/12/443098312.db2.gz GHJLELCORRNJJS-CQSZACIVSA-N 1 0 334.420 1.820 20 5 EDBDRO COC(=O)C1=NOC2(C1)CC[NH+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000185091265 443134783 /nfs/dbraw/zinc/13/47/83/443134783.db2.gz CASNABNQEIDWIX-UHFFFAOYSA-N 1 0 333.344 1.879 20 5 EDBDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000185232634 443166324 /nfs/dbraw/zinc/16/63/24/443166324.db2.gz RWNCUTDDTRXASR-UHFFFAOYSA-N 1 0 347.824 1.963 20 5 EDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237627283 443177157 /nfs/dbraw/zinc/17/71/57/443177157.db2.gz GKWVIAGWJGWQOW-NWDGAFQWSA-N 1 0 329.360 1.732 20 5 EDBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CCC(=O)OC ZINC000266517569 443153849 /nfs/dbraw/zinc/15/38/49/443153849.db2.gz HFBMAOFXNSPCPW-UHFFFAOYSA-N 1 0 326.349 1.867 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000266538146 443161399 /nfs/dbraw/zinc/16/13/99/443161399.db2.gz OXVJACBGBGBUQT-WBVHZDCISA-N 1 0 330.388 1.717 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000382516189 319123897 /nfs/dbraw/zinc/12/38/97/319123897.db2.gz RJTDVSHAJDCEBJ-BDAKNGLRSA-N 1 0 333.797 1.654 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CC[N@H+](CC)C1 ZINC000412829739 319243630 /nfs/dbraw/zinc/24/36/30/319243630.db2.gz ACXCBAYIDHQWLP-VXGBXAGGSA-N 1 0 338.412 1.038 20 5 EDBDRO CC[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000412872684 319246224 /nfs/dbraw/zinc/24/62/24/319246224.db2.gz HJYLAISTGNTNNF-ZDUSSCGKSA-N 1 0 348.403 1.255 20 5 EDBDRO CC[NH+]1CCN(C[C@H](C)CNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413078517 319263511 /nfs/dbraw/zinc/26/35/11/319263511.db2.gz NFGAFAXURTZTPH-GFCCVEGCSA-N 1 0 325.388 1.814 20 5 EDBDRO C[C@H]1CN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000191422002 443292888 /nfs/dbraw/zinc/29/28/88/443292888.db2.gz MDJFYVJOBJOMEI-HNNXBMFYSA-N 1 0 334.420 1.438 20 5 EDBDRO C[NH+](C)CC1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000185982289 443293513 /nfs/dbraw/zinc/29/35/13/443293513.db2.gz OTXDQVYUMHHCAB-UHFFFAOYSA-N 1 0 341.433 1.994 20 5 EDBDRO C[C@H](CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+](C)C ZINC000264530392 443315285 /nfs/dbraw/zinc/31/52/85/443315285.db2.gz XWGPQQKGDQCAEY-SECBINFHSA-N 1 0 342.783 1.044 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272592436 443375691 /nfs/dbraw/zinc/37/56/91/443375691.db2.gz NYIXZIASTXBREJ-HOCLYGCPSA-N 1 0 332.404 1.873 20 5 EDBDRO CC(C)C(=O)NC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269646185 443377824 /nfs/dbraw/zinc/37/78/24/443377824.db2.gz DRHCIPLVPNIBSB-INIZCTEOSA-N 1 0 335.404 1.865 20 5 EDBDRO C[NH+](C)CC[C@@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(C)(C)C ZINC000269672141 443389093 /nfs/dbraw/zinc/38/90/93/443389093.db2.gz GPGGWVMXWXQOED-CQSZACIVSA-N 1 0 338.408 1.239 20 5 EDBDRO C[NH+](C)C1CCN(CCNc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000267192106 443372390 /nfs/dbraw/zinc/37/23/90/443372390.db2.gz MRTZATLABPXVCH-UHFFFAOYSA-N 1 0 334.380 1.569 20 5 EDBDRO O=C1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C2(CCC2)N1 ZINC000282730696 443418806 /nfs/dbraw/zinc/41/88/06/443418806.db2.gz IICHHUQQTXDKOZ-WFASDCNBSA-N 1 0 349.387 1.125 20 5 EDBDRO COc1ccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000272767001 443438037 /nfs/dbraw/zinc/43/80/37/443438037.db2.gz BJGCNKBMEWNQQB-LBPRGKRZSA-N 1 0 338.364 1.398 20 5 EDBDRO C[N@H+]1C[C@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000278696776 443405516 /nfs/dbraw/zinc/40/55/16/443405516.db2.gz IAKMQHCSWACVGR-DTORHVGOSA-N 1 0 327.182 1.750 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000282908981 443466782 /nfs/dbraw/zinc/46/67/82/443466782.db2.gz XMCVXLFEZMKCPA-UHFFFAOYSA-N 1 0 338.339 1.191 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc([N+](=O)[O-])c1 ZINC000423749468 319810230 /nfs/dbraw/zinc/81/02/30/319810230.db2.gz STXULYVPJDPURN-CYBMUJFWSA-N 1 0 335.360 1.499 20 5 EDBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000265191084 443564915 /nfs/dbraw/zinc/56/49/15/443564915.db2.gz HEHVQOPGKXTBRT-NSHDSACASA-N 1 0 342.421 1.020 20 5 EDBDRO C[N@H+](CCO)C1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272306968 443586574 /nfs/dbraw/zinc/58/65/74/443586574.db2.gz HQTYPXLBLYHXAL-UHFFFAOYSA-N 1 0 349.431 1.788 20 5 EDBDRO C[C@@H]1C[NH+](CC2CCN(c3ncc([N+](=O)[O-])cn3)CC2)C[C@@H](C)O1 ZINC000273144415 443550180 /nfs/dbraw/zinc/55/01/80/443550180.db2.gz FWVIQRIXPZZVNA-CHWSQXEVSA-N 1 0 335.408 1.710 20 5 EDBDRO C[NH+](C)C[C@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCO1 ZINC000265351713 443613101 /nfs/dbraw/zinc/61/31/01/443613101.db2.gz KCYNNBFLJLXUGW-LBPRGKRZSA-N 1 0 332.360 1.479 20 5 EDBDRO C[C@H]1CN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000272419856 443619542 /nfs/dbraw/zinc/61/95/42/443619542.db2.gz XGYGUFDBRCTJRX-QPUJVOFHSA-N 1 0 335.389 1.622 20 5 EDBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000434944311 320007123 /nfs/dbraw/zinc/00/71/23/320007123.db2.gz VJJPJZGTUPIFKM-JTQLQIEISA-N 1 0 327.772 1.395 20 5 EDBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000440367438 320074531 /nfs/dbraw/zinc/07/45/31/320074531.db2.gz WCEDNCNEZIPKSX-LBPRGKRZSA-N 1 0 327.406 1.666 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000440861061 320084260 /nfs/dbraw/zinc/08/42/60/320084260.db2.gz QAPDGPQOOBYHMJ-OAHLLOKOSA-N 1 0 341.433 1.880 20 5 EDBDRO CCOc1cc(C(=O)NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000444261971 320123282 /nfs/dbraw/zinc/12/32/82/320123282.db2.gz HWVPCEFWOHJPAY-LLVKDONJSA-N 1 0 337.376 1.874 20 5 EDBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000447933332 320147759 /nfs/dbraw/zinc/14/77/59/320147759.db2.gz TUFLSJYJZMNRBA-CQSZACIVSA-N 1 0 341.433 1.994 20 5 EDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000449661821 320197659 /nfs/dbraw/zinc/19/76/59/320197659.db2.gz JOFUWJVIQWSIPN-ZDUSSCGKSA-N 1 0 342.346 1.900 20 5 EDBDRO [NH3+]CC[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000449715240 320201410 /nfs/dbraw/zinc/20/14/10/320201410.db2.gz DRIFVDCBTFOILN-VIFPVBQESA-N 1 0 331.254 1.481 20 5 EDBDRO Cc1c(NC(=O)C(=O)NCC[N@@H+]2CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000454074378 320282701 /nfs/dbraw/zinc/28/27/01/320282701.db2.gz XBPGCEVODAFLED-UHFFFAOYSA-N 1 0 348.403 1.832 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491560663 320372068 /nfs/dbraw/zinc/37/20/68/320372068.db2.gz GOEQYQRZWKZNFH-UZYOAWRESA-N 1 0 332.404 1.360 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C(N)=O ZINC000286355544 443696678 /nfs/dbraw/zinc/69/66/78/443696678.db2.gz XXXZECRLOQMXJD-BXKDBHETSA-N 1 0 331.332 1.198 20 5 EDBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000276446404 443708876 /nfs/dbraw/zinc/70/88/76/443708876.db2.gz YQNVWGLUURDUDV-UHFFFAOYSA-N 1 0 338.408 1.607 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000298297019 443741162 /nfs/dbraw/zinc/74/11/62/443741162.db2.gz HZRLQENWQICMEF-HNNXBMFYSA-N 1 0 344.371 1.176 20 5 EDBDRO COC(=O)C1CC[NH+](CCCNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000298498534 443784943 /nfs/dbraw/zinc/78/49/43/443784943.db2.gz NGMXEYNYJDAQOI-UHFFFAOYSA-N 1 0 349.387 1.600 20 5 EDBDRO C[NH+](C)CC1(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCC1 ZINC000281091763 443816081 /nfs/dbraw/zinc/81/60/81/443816081.db2.gz PDDQIEHLKRKSNI-UHFFFAOYSA-N 1 0 344.375 1.390 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H]1CO ZINC000298629571 443822957 /nfs/dbraw/zinc/82/29/57/443822957.db2.gz VSKNRZCOPYQIBJ-SMDDNHRTSA-N 1 0 337.376 1.635 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000284977239 443805538 /nfs/dbraw/zinc/80/55/38/443805538.db2.gz XGNBRJDLCGIEPY-YLFCFFPRSA-N 1 0 336.388 1.490 20 5 EDBDRO Cc1cc(OCC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000281551835 443940929 /nfs/dbraw/zinc/94/09/29/443940929.db2.gz XSJRIVKLXKHVFV-KGLIPLIRSA-N 1 0 333.388 1.977 20 5 EDBDRO C[NH+](C)CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000299060082 443941941 /nfs/dbraw/zinc/94/19/41/443941941.db2.gz UUYVJZGDQYFAMU-UHFFFAOYSA-N 1 0 332.360 1.793 20 5 EDBDRO C[NH+](C)CCOc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)ccn1 ZINC000539541588 320752394 /nfs/dbraw/zinc/75/23/94/320752394.db2.gz IBNJSLDWGYHAJG-UHFFFAOYSA-N 1 0 331.332 1.578 20 5 EDBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285225649 443902907 /nfs/dbraw/zinc/90/29/07/443902907.db2.gz XIJKGFVYNLGGNU-UHFFFAOYSA-N 1 0 335.339 1.661 20 5 EDBDRO C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000540141175 320758233 /nfs/dbraw/zinc/75/82/33/320758233.db2.gz FUEPSCJXKKNKKO-LLVKDONJSA-N 1 0 329.422 1.963 20 5 EDBDRO COCC[N@@H+]1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000299030365 443933390 /nfs/dbraw/zinc/93/33/90/443933390.db2.gz OWGMKXXWKIDFRO-UHFFFAOYSA-N 1 0 346.387 1.870 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000277304220 443957985 /nfs/dbraw/zinc/95/79/85/443957985.db2.gz PKRDHPSWXNNFRC-GFCCVEGCSA-N 1 0 349.387 1.922 20 5 EDBDRO CN(CCC[NH+]1CCN(C)CC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285629245 444053578 /nfs/dbraw/zinc/05/35/78/444053578.db2.gz NHCLLNYNLMMIRV-UHFFFAOYSA-N 1 0 342.390 1.942 20 5 EDBDRO CCOC1CC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)(N2CCOCC2)C1 ZINC000277720197 444030887 /nfs/dbraw/zinc/03/08/87/444030887.db2.gz NLWYEOCPQSIHOM-UHFFFAOYSA-N 1 0 349.431 1.954 20 5 EDBDRO C[C@@H]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000562800635 321076732 /nfs/dbraw/zinc/07/67/32/321076732.db2.gz MQIDSMUMKBYIFL-CHWSQXEVSA-N 1 0 336.392 1.600 20 5 EDBDRO COC[C@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000564297975 321126021 /nfs/dbraw/zinc/12/60/21/321126021.db2.gz LTKHXDGGHKVIAK-ZDUSSCGKSA-N 1 0 325.365 1.803 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccn(C3CCCC3)n2)c1 ZINC000564852703 321151469 /nfs/dbraw/zinc/15/14/69/321151469.db2.gz NTOBMNJPOFTOKC-HNNXBMFYSA-N 1 0 334.380 1.254 20 5 EDBDRO COc1cccc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1[N+](=O)[O-] ZINC000565479910 321188373 /nfs/dbraw/zinc/18/83/73/321188373.db2.gz MTXGULQYMMJDTB-CJNGLKHVSA-N 1 0 349.387 1.572 20 5 EDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c2nccn21 ZINC000565654347 321195244 /nfs/dbraw/zinc/19/52/44/321195244.db2.gz KIRQYDDIRZATDR-FRRDWIJNSA-N 1 0 332.360 1.827 20 5 EDBDRO CC(C)(C)NC(=O)CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000570564120 321347929 /nfs/dbraw/zinc/34/79/29/321347929.db2.gz HSADAWPMJFPUAD-CYBMUJFWSA-N 1 0 339.392 1.229 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000570571392 321348790 /nfs/dbraw/zinc/34/87/90/321348790.db2.gz HIHSSWVBXZQYAC-DOMZBBRYSA-N 1 0 334.376 1.145 20 5 EDBDRO COCC[NH+]1CCC(Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1 ZINC000301108943 444145544 /nfs/dbraw/zinc/14/55/44/444145544.db2.gz KETCSJIUJABNPO-UHFFFAOYSA-N 1 0 347.375 1.125 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000299732598 444126638 /nfs/dbraw/zinc/12/66/38/444126638.db2.gz XSXMYNXCJSOARV-CYBMUJFWSA-N 1 0 348.403 1.560 20 5 EDBDRO Cc1sc(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000575867430 321532127 /nfs/dbraw/zinc/53/21/27/321532127.db2.gz RNBPBFGVIZLHGC-LLVKDONJSA-N 1 0 339.417 1.792 20 5 EDBDRO COC(=O)c1cc(NC(=O)[C@H]2CC[NH2+][C@@H]2C(C)C)cc([N+](=O)[O-])c1 ZINC000289702308 444192954 /nfs/dbraw/zinc/19/29/54/444192954.db2.gz TUSQHLHHGYCBQL-UONOGXRCSA-N 1 0 335.360 1.954 20 5 EDBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000301963224 444198571 /nfs/dbraw/zinc/19/85/71/444198571.db2.gz NJELQLHRMYLKDV-AWEZNQCLSA-N 1 0 336.367 1.652 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2ccc3[nH]ccc3c2)c1 ZINC000576512515 321572779 /nfs/dbraw/zinc/57/27/79/321572779.db2.gz YYMABUPTBCMHTH-HNNXBMFYSA-N 1 0 329.360 1.466 20 5 EDBDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305181495 444262950 /nfs/dbraw/zinc/26/29/50/444262950.db2.gz WITOMQRXEDYLMY-BLLLJJGKSA-N 1 0 334.376 1.421 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](Nc2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC000297045943 444270225 /nfs/dbraw/zinc/27/02/25/444270225.db2.gz IEJQHUTUIXHKTI-CYBMUJFWSA-N 1 0 337.376 1.443 20 5 EDBDRO CCC[N@H+](CC)C[C@@H](C)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000290709246 444313308 /nfs/dbraw/zinc/31/33/08/444313308.db2.gz LKMZDZRBBBGNGO-LLVKDONJSA-N 1 0 344.437 1.775 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000318899556 444321502 /nfs/dbraw/zinc/32/15/02/444321502.db2.gz JIPXIFDNAFGGKQ-LBPRGKRZSA-N 1 0 327.406 1.666 20 5 EDBDRO CC(C)(O)CN1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000322854855 444341106 /nfs/dbraw/zinc/34/11/06/444341106.db2.gz RIIBICBCOLOYJH-UHFFFAOYSA-N 1 0 325.340 1.263 20 5 EDBDRO CC(C)CN1CCCC[C@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000578641171 321808436 /nfs/dbraw/zinc/80/84/36/321808436.db2.gz OXLKATSHXDZDJY-HOCLYGCPSA-N 1 0 339.440 1.252 20 5 EDBDRO O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)cc2N1 ZINC000328396876 444386725 /nfs/dbraw/zinc/38/67/25/444386725.db2.gz OSQMVDKOXMTRAB-STQMWFEESA-N 1 0 346.387 1.755 20 5 EDBDRO CCc1cnc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000579703253 321963121 /nfs/dbraw/zinc/96/31/21/321963121.db2.gz HIVSLGQXLXQFRQ-LLVKDONJSA-N 1 0 325.394 1.003 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000580310736 322034778 /nfs/dbraw/zinc/03/47/78/322034778.db2.gz FIRPKIFOCKWTKL-AWEZNQCLSA-N 1 0 333.388 1.351 20 5 EDBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000581823861 322220794 /nfs/dbraw/zinc/22/07/94/322220794.db2.gz JPXMTGOPDBZQNV-GXTWGEPZSA-N 1 0 347.371 1.484 20 5 EDBDRO COC(=O)CC[N@@H+]1CCN(Cc2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000342181320 444551606 /nfs/dbraw/zinc/55/16/06/444551606.db2.gz QKNYPXVECWKTSS-LLVKDONJSA-N 1 0 327.406 1.726 20 5 EDBDRO CC[C@@H]([NH2+]CCC(=O)N(C)CC(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000342297508 444617779 /nfs/dbraw/zinc/61/77/79/444617779.db2.gz XIZATYYZCDQWEC-CQSZACIVSA-N 1 0 337.376 1.657 20 5 EDBDRO COC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000342300184 444618991 /nfs/dbraw/zinc/61/89/91/444618991.db2.gz CKDCCKHTAQXPAJ-CABCVRRESA-N 1 0 338.339 1.269 20 5 EDBDRO Cn1cc([C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C)cn1 ZINC000342332109 444635837 /nfs/dbraw/zinc/63/58/37/444635837.db2.gz YJESWRGAKWHAOX-KGLIPLIRSA-N 1 0 336.396 1.263 20 5 EDBDRO Cc1nn(C)c(NCc2ccncc2OCC[NH+](C)C)c1[N+](=O)[O-] ZINC000341026942 444639856 /nfs/dbraw/zinc/63/98/56/444639856.db2.gz CDRHZNOEERYBRG-UHFFFAOYSA-N 1 0 334.380 1.584 20 5 EDBDRO Cn1c(C(=O)NCc2ccc(CC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000342490078 444712879 /nfs/dbraw/zinc/71/28/79/444712879.db2.gz GMDJJEADJYYIEU-UHFFFAOYSA-N 1 0 330.388 1.967 20 5 EDBDRO C[C@H](NC(=O)N1C[C@H]2OCCN(C)[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000341124318 444685944 /nfs/dbraw/zinc/68/59/44/444685944.db2.gz VHZGHCVXSLUTCS-NILFDRSVSA-N 1 0 334.376 1.380 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000334004209 444744252 /nfs/dbraw/zinc/74/42/52/444744252.db2.gz NXOWDLNADRWCSY-UPJWGTAASA-N 1 0 348.403 1.264 20 5 EDBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000334042261 444758548 /nfs/dbraw/zinc/75/85/48/444758548.db2.gz IWCRBPDYRRVFQP-QWRGUYRKSA-N 1 0 337.376 1.825 20 5 EDBDRO C[C@H]1[C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000344232330 444853323 /nfs/dbraw/zinc/85/33/23/444853323.db2.gz GRSIBPMINANTGQ-QWHCGFSZSA-N 1 0 335.408 1.789 20 5 EDBDRO CN(C)C(=O)C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000341507888 444867795 /nfs/dbraw/zinc/86/77/95/444867795.db2.gz QYVOKGKXYYLPQC-AWEZNQCLSA-N 1 0 331.376 1.601 20 5 EDBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000341701786 444957361 /nfs/dbraw/zinc/95/73/61/444957361.db2.gz PGTLWIDTQOEKCA-NSHDSACASA-N 1 0 337.376 1.842 20 5 EDBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc(F)cc([N+](=O)[O-])c1 ZINC000342955844 444965149 /nfs/dbraw/zinc/96/51/49/444965149.db2.gz LNBSRCQMUZVEPJ-AWEZNQCLSA-N 1 0 339.367 1.701 20 5 EDBDRO COc1ncc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)n1 ZINC000337184580 444976740 /nfs/dbraw/zinc/97/67/40/444976740.db2.gz OKZFWLQMBHMGQM-ZDUSSCGKSA-N 1 0 344.375 1.783 20 5 EDBDRO CO[C@@H]1C[C@@H](CN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)[N@H+](C)C1 ZINC000344502664 445017494 /nfs/dbraw/zinc/01/74/94/445017494.db2.gz VPUYPXHGKGYORC-UONOGXRCSA-N 1 0 325.340 1.525 20 5 EDBDRO CC(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000339183605 445078033 /nfs/dbraw/zinc/07/80/33/445078033.db2.gz CSXGFJOJQMLNKE-AWEZNQCLSA-N 1 0 348.403 1.832 20 5 EDBDRO COCCN1C(=O)N[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)CC[C@@H]21 ZINC000344597200 445080385 /nfs/dbraw/zinc/08/03/85/445080385.db2.gz XQSRAOJXZMCALK-CVEARBPZSA-N 1 0 348.403 1.518 20 5 EDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342091005 445166956 /nfs/dbraw/zinc/16/69/56/445166956.db2.gz CIJNNMWVSRHHFK-GUYJKWIASA-N 1 0 332.404 1.981 20 5 EDBDRO C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000345307041 445179283 /nfs/dbraw/zinc/17/92/83/445179283.db2.gz RXOHTVHBVWUTHV-PZSREKOKSA-N 1 0 343.387 1.951 20 5 EDBDRO C[C@H]1[C@@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCC[N@@H+]1C ZINC000343448040 445224722 /nfs/dbraw/zinc/22/47/22/445224722.db2.gz PQSSQPXPYZMXFH-STQMWFEESA-N 1 0 343.387 1.993 20 5 EDBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCOC1 ZINC000348138459 445286475 /nfs/dbraw/zinc/28/64/75/445286475.db2.gz TVVRKPWFHLIPRA-JSGCOSHPSA-N 1 0 333.388 1.889 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000357063635 445403726 /nfs/dbraw/zinc/40/37/26/445403726.db2.gz GGVDKWPVZJHHRD-RYUDHWBXSA-N 1 0 336.392 1.566 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357085570 445417658 /nfs/dbraw/zinc/41/76/58/445417658.db2.gz KXWJODUEPJWAAN-STQMWFEESA-N 1 0 348.403 1.473 20 5 EDBDRO CC(C)[NH+](CCN(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(C)C ZINC000357053341 445397357 /nfs/dbraw/zinc/39/73/57/445397357.db2.gz OPLDBNUAYWHLPO-UHFFFAOYSA-N 1 0 338.408 1.334 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H](CO)C3CCOCC3)o2)cc1 ZINC000359885757 445474698 /nfs/dbraw/zinc/47/46/98/445474698.db2.gz YZBBHHCAYUDSQC-AWEZNQCLSA-N 1 0 348.359 1.522 20 5 EDBDRO Cn1nccc1N1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000359798915 445434267 /nfs/dbraw/zinc/43/42/67/445434267.db2.gz IUUZPPQEMJKDOE-AWEZNQCLSA-N 1 0 329.360 1.614 20 5 EDBDRO Cn1nccc1[C@@H]1[C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC[N@@H+]1C ZINC000348948858 445451296 /nfs/dbraw/zinc/45/12/96/445451296.db2.gz JPLHLEGAVPQIPA-NHYWBVRUSA-N 1 0 346.391 1.469 20 5 EDBDRO CC[NH+]1CCN(CCNc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000360158029 445601088 /nfs/dbraw/zinc/60/10/88/445601088.db2.gz QLRYIAJVDCQNHQ-UHFFFAOYSA-N 1 0 336.392 1.431 20 5 EDBDRO Cn1cc(C[NH2+]C[C@@H]2CC[C@@H](CO)O2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000353694604 445711781 /nfs/dbraw/zinc/71/17/81/445711781.db2.gz ZEGUCZVBFNDJNA-HOTGVXAUSA-N 1 0 346.387 1.625 20 5 EDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3CCn4c(C)[nH+]cc4C3)n2)n1C ZINC000350440972 445829567 /nfs/dbraw/zinc/82/95/67/445829567.db2.gz SUPKDDICMIVLBK-SNVBAGLBSA-N 1 0 343.347 1.922 20 5 EDBDRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000358835450 445800489 /nfs/dbraw/zinc/80/04/89/445800489.db2.gz POODGAWKFHYICR-OAHLLOKOSA-N 1 0 344.371 1.420 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000354017726 445858040 /nfs/dbraw/zinc/85/80/40/445858040.db2.gz BWKIXCLILHYPLE-OLZOCXBDSA-N 1 0 348.403 1.266 20 5 EDBDRO COc1ccc(C[NH2+]CCC2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000350748594 445896459 /nfs/dbraw/zinc/89/64/59/445896459.db2.gz RAMRYHRDNPSHBT-UHFFFAOYSA-N 1 0 342.417 1.908 20 5 EDBDRO CNS(=O)(=O)c1ccc(N2CC[N@H+](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000354091371 445896892 /nfs/dbraw/zinc/89/68/92/445896892.db2.gz KYZAOYSNVCQFIQ-NSHDSACASA-N 1 0 342.421 1.033 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000356734517 445976628 /nfs/dbraw/zinc/97/66/28/445976628.db2.gz WFJZGOXUDJVJCN-UHFFFAOYSA-N 1 0 337.405 1.594 20 5 EDBDRO CCOc1ccc(C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000359212590 446042120 /nfs/dbraw/zinc/04/21/20/446042120.db2.gz CUDQSHJIIJKPDC-STQMWFEESA-N 1 0 337.376 1.572 20 5 EDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000583572483 326098185 /nfs/dbraw/zinc/09/81/85/326098185.db2.gz KUZOSLQKVLRESL-CMPLNLGQSA-N 1 0 330.348 1.127 20 5 EDBDRO C[C@H](C(=O)NCC1([NH+](C)C)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000583727318 326125937 /nfs/dbraw/zinc/12/59/37/326125937.db2.gz AKINOMGXQDBQPV-ZDUSSCGKSA-N 1 0 335.404 1.925 20 5 EDBDRO Cc1c(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)cccc1[N+](=O)[O-] ZINC000583993559 326180215 /nfs/dbraw/zinc/18/02/15/326180215.db2.gz KINRDQHROLUGOO-CYBMUJFWSA-N 1 0 333.388 1.731 20 5 EDBDRO COCC[NH2+]C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000584060406 326192330 /nfs/dbraw/zinc/19/23/30/326192330.db2.gz CEIOIWGCABLPOJ-UHFFFAOYSA-N 1 0 325.340 1.575 20 5 EDBDRO C[C@@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000361930767 446080210 /nfs/dbraw/zinc/08/02/10/446080210.db2.gz XEBFNLHOPLMVQU-NVXWUHKLSA-N 1 0 348.447 1.432 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@H]12 ZINC000351501980 446107158 /nfs/dbraw/zinc/10/71/58/446107158.db2.gz YPOIPVRPFBUUON-KWCYVHTRSA-N 1 0 329.360 1.814 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000366448988 446219861 /nfs/dbraw/zinc/21/98/61/446219861.db2.gz NGONQMVBKMHFCJ-UONOGXRCSA-N 1 0 333.388 1.964 20 5 EDBDRO CCc1noc([C@]2(O)CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000366843630 446379586 /nfs/dbraw/zinc/37/95/86/446379586.db2.gz LVKPOCOAAAIAFC-INIZCTEOSA-N 1 0 332.360 1.676 20 5 EDBDRO CC(C)NC(=O)c1ccc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000420254332 446434493 /nfs/dbraw/zinc/43/44/93/446434493.db2.gz CYJUCFNNMWLSKF-KGLIPLIRSA-N 1 0 332.404 1.921 20 5 EDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418081767 446434847 /nfs/dbraw/zinc/43/48/47/446434847.db2.gz HEFVXQQEVDLDOH-GFCCVEGCSA-N 1 0 348.407 1.986 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000370729858 446407467 /nfs/dbraw/zinc/40/74/67/446407467.db2.gz LCFRCUVFKSDBMJ-QWRGUYRKSA-N 1 0 331.369 1.190 20 5 EDBDRO Nc1ccc(C(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000370760838 446420708 /nfs/dbraw/zinc/42/07/08/446420708.db2.gz UCDAJQFOJMSPQM-UKRRQHHQSA-N 1 0 348.403 1.408 20 5 EDBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1c(Cl)cccc1[N+](=O)[O-] ZINC000452780642 446468634 /nfs/dbraw/zinc/46/86/34/446468634.db2.gz HMZZFVCZHDGIOR-LLVKDONJSA-N 1 0 341.795 1.825 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000420308669 446472148 /nfs/dbraw/zinc/47/21/48/446472148.db2.gz NQWKVTPZUNENTA-TUKIKUTGSA-N 1 0 339.417 1.038 20 5 EDBDRO O=C1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2(CCC2)N1 ZINC000367033098 446477652 /nfs/dbraw/zinc/47/76/52/446477652.db2.gz HOVPGDGMRXKYTQ-AWEZNQCLSA-N 1 0 347.371 1.752 20 5 EDBDRO C[C@@]1(F)C[NH2+]CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000420324738 446491480 /nfs/dbraw/zinc/49/14/80/446491480.db2.gz CKOFBNQYNHWRRV-GDBMZVCRSA-N 1 0 336.367 1.334 20 5 EDBDRO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000423411738 446523455 /nfs/dbraw/zinc/52/34/55/446523455.db2.gz GFZMXERCTLWOIE-SWLSCSKDSA-N 1 0 347.419 1.781 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000367477390 446552180 /nfs/dbraw/zinc/55/21/80/446552180.db2.gz ZUZUGQRFJUVWFQ-CQSZACIVSA-N 1 0 343.380 1.498 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000411578322 446615356 /nfs/dbraw/zinc/61/53/56/446615356.db2.gz AKALCOZSBMMRCU-DOMZBBRYSA-N 1 0 346.387 1.313 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)C2CC[NH2+]CC2)c1 ZINC000420398517 446571913 /nfs/dbraw/zinc/57/19/13/446571913.db2.gz ALTZIYMTHNIWSW-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000423635481 446619164 /nfs/dbraw/zinc/61/91/64/446619164.db2.gz OWVMJQCNZFJWKR-INIZCTEOSA-N 1 0 337.376 1.492 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000367830129 446594425 /nfs/dbraw/zinc/59/44/25/446594425.db2.gz AJEIQGBUYUDLGS-CYBMUJFWSA-N 1 0 325.390 1.324 20 5 EDBDRO COC(=O)c1cc(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc([N+](=O)[O-])c1 ZINC000423603399 446600142 /nfs/dbraw/zinc/60/01/42/446600142.db2.gz GDTHVPIAKBEXFV-AWEZNQCLSA-N 1 0 349.387 1.889 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000420428538 446603274 /nfs/dbraw/zinc/60/32/74/446603274.db2.gz YZFUTDFOPJFQGR-LBPRGKRZSA-N 1 0 327.406 1.490 20 5 EDBDRO C[C@H]1C[C@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000420432481 446607599 /nfs/dbraw/zinc/60/75/99/446607599.db2.gz HDZGYVHLTVCFIK-WCQYABFASA-N 1 0 327.406 1.197 20 5 EDBDRO COc1cc(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420467169 446644454 /nfs/dbraw/zinc/64/44/54/446644454.db2.gz NCMUCEHAMGADDU-QWRGUYRKSA-N 1 0 343.405 1.399 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420485311 446653524 /nfs/dbraw/zinc/65/35/24/446653524.db2.gz ZQGKEXUPFGDEGL-VXGBXAGGSA-N 1 0 327.406 1.509 20 5 EDBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420455675 446634234 /nfs/dbraw/zinc/63/42/34/446634234.db2.gz NMNMGIFDDHLEJI-ZDUSSCGKSA-N 1 0 329.422 1.574 20 5 EDBDRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418778369 446697431 /nfs/dbraw/zinc/69/74/31/446697431.db2.gz IQMTWAZAKMGQKX-NEPJUHHUSA-N 1 0 348.403 1.358 20 5 EDBDRO C[NH+](C)C1CCC(Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000420630058 446711360 /nfs/dbraw/zinc/71/13/60/446711360.db2.gz SAVOZAYUENGYQZ-UHFFFAOYSA-N 1 0 342.421 1.527 20 5 EDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418762865 446682215 /nfs/dbraw/zinc/68/22/15/446682215.db2.gz MKPFBVDRGVJUMG-CYBMUJFWSA-N 1 0 342.346 1.776 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000420774148 446811552 /nfs/dbraw/zinc/81/15/52/446811552.db2.gz YCEBWSDCLMXLDI-LBPRGKRZSA-N 1 0 327.406 1.618 20 5 EDBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000419007113 446862351 /nfs/dbraw/zinc/86/23/51/446862351.db2.gz TUSTXYBXTCVVKC-UWVGGRQHSA-N 1 0 337.405 1.491 20 5 EDBDRO CCc1nn(C)c(N2CCC[N@H+](CCCOC)CC2)c1[N+](=O)[O-] ZINC000371466136 446873416 /nfs/dbraw/zinc/87/34/16/446873416.db2.gz LPZRACOOOKEUHT-UHFFFAOYSA-N 1 0 325.413 1.439 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000419133628 446943454 /nfs/dbraw/zinc/94/34/54/446943454.db2.gz GCCPRXNRVSOYQH-AVGNSLFASA-N 1 0 348.403 1.358 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000368652378 447006879 /nfs/dbraw/zinc/00/68/79/447006879.db2.gz LAILJZVGZVABEB-JKSUJKDBSA-N 1 0 333.388 1.195 20 5 EDBDRO Cc1nn(CCC(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000368658575 447012080 /nfs/dbraw/zinc/01/20/80/447012080.db2.gz MDXXJNUBZPAKMF-IUODEOHRSA-N 1 0 349.435 1.883 20 5 EDBDRO C[N@H+](CCO)C1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413123934 447017220 /nfs/dbraw/zinc/01/72/20/447017220.db2.gz BKLUEXNMYGXWFI-UHFFFAOYSA-N 1 0 348.325 1.902 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000421007438 446980433 /nfs/dbraw/zinc/98/04/33/446980433.db2.gz HLPOESVCTTUYAN-WCQYABFASA-N 1 0 337.376 1.777 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000419167542 446983984 /nfs/dbraw/zinc/98/39/84/446983984.db2.gz PPWPCVAPEASITG-UONOGXRCSA-N 1 0 334.376 1.016 20 5 EDBDRO CN1CC[NH+](CCCNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413028738 446986476 /nfs/dbraw/zinc/98/64/76/446986476.db2.gz DUBCBLUZIBFFQK-UHFFFAOYSA-N 1 0 329.404 2.192 20 5 EDBDRO CC[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000419172996 446987407 /nfs/dbraw/zinc/98/74/07/446987407.db2.gz UWWAQQSOGXCIGH-GXTWGEPZSA-N 1 0 334.376 1.030 20 5 EDBDRO O=[N+]([O-])c1c(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)nc2sccn21 ZINC000375771810 447037208 /nfs/dbraw/zinc/03/72/08/447037208.db2.gz KWHFDSGPRYACAV-GHMZBOCLSA-N 1 0 337.405 1.339 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000419273905 447049846 /nfs/dbraw/zinc/04/98/46/447049846.db2.gz QYUIXGTUMFFQEG-JSGCOSHPSA-N 1 0 348.403 1.291 20 5 EDBDRO CON1CCC([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000421212050 447069147 /nfs/dbraw/zinc/06/91/47/447069147.db2.gz WLISDBWRPCQPFG-GFCCVEGCSA-N 1 0 336.392 1.846 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@H](O)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000421372716 447144145 /nfs/dbraw/zinc/14/41/45/447144145.db2.gz LPEXWATZBAELBQ-DGCLKSJQSA-N 1 0 338.360 1.492 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000421372715 447144358 /nfs/dbraw/zinc/14/43/58/447144358.db2.gz LPEXWATZBAELBQ-AAEUAGOBSA-N 1 0 338.360 1.492 20 5 EDBDRO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)nn1 ZINC000368851579 447158706 /nfs/dbraw/zinc/15/87/06/447158706.db2.gz AFRAJMCUCUOSHD-ZDUSSCGKSA-N 1 0 345.359 1.728 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000375966345 447180590 /nfs/dbraw/zinc/18/05/90/447180590.db2.gz YXCSISFKZHLCJG-MRXNPFEDSA-N 1 0 326.356 1.794 20 5 EDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000421713906 447230142 /nfs/dbraw/zinc/23/01/42/447230142.db2.gz UGBGUQVEMGTSBA-ZDUSSCGKSA-N 1 0 349.387 1.461 20 5 EDBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000377607388 447240331 /nfs/dbraw/zinc/24/03/31/447240331.db2.gz PAKFPHNWDMJSDK-NEPJUHHUSA-N 1 0 334.376 1.428 20 5 EDBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455842798 447240519 /nfs/dbraw/zinc/24/05/19/447240519.db2.gz JZBWQCFDKZLIPR-NWDGAFQWSA-N 1 0 333.392 1.730 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000369037632 447282711 /nfs/dbraw/zinc/28/27/11/447282711.db2.gz ZGHDIBINNYDIEW-CVEARBPZSA-N 1 0 348.403 1.966 20 5 EDBDRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000415474431 447466041 /nfs/dbraw/zinc/46/60/41/447466041.db2.gz DJGMILDQHGORNG-UHFFFAOYSA-N 1 0 348.403 1.690 20 5 EDBDRO CCCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC[NH2+]CC1 ZINC000415499996 447483653 /nfs/dbraw/zinc/48/36/53/447483653.db2.gz LZRPUSCVUAWXIB-UHFFFAOYSA-N 1 0 348.403 1.832 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCC(CC[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000389955973 447488170 /nfs/dbraw/zinc/48/81/70/447488170.db2.gz OLAJMDFBTPLEJP-UHFFFAOYSA-N 1 0 343.405 1.353 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@H]2CCC[N@H+]2C)c(C)cc1[N+](=O)[O-] ZINC000416383243 447587396 /nfs/dbraw/zinc/58/73/96/447587396.db2.gz DPLMJDATHUGLMV-GFCCVEGCSA-N 1 0 327.406 1.584 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)c(C)cc1[N+](=O)[O-] ZINC000416384099 447587998 /nfs/dbraw/zinc/58/79/98/447587998.db2.gz IIZBVIAPGRIKIN-GFCCVEGCSA-N 1 0 341.433 1.973 20 5 EDBDRO CN(C)CC(C)(C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000459550722 447704311 /nfs/dbraw/zinc/70/43/11/447704311.db2.gz QKMZJVSVCIJWEL-UHFFFAOYSA-N 1 0 329.422 1.298 20 5 EDBDRO CC(C)[C@H]([NH3+])CCN(C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420200161 447667144 /nfs/dbraw/zinc/66/71/44/447667144.db2.gz FWEVMMMINYUBEL-SECBINFHSA-N 1 0 335.451 1.869 20 5 EDBDRO COCC[NH2+]CCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000420216242 447673752 /nfs/dbraw/zinc/67/37/52/447673752.db2.gz DCMJSESFWZEFEZ-UHFFFAOYSA-N 1 0 338.408 1.075 20 5 EDBDRO C[C@@H](C[NH3+])CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000420220617 447676185 /nfs/dbraw/zinc/67/61/85/447676185.db2.gz SQVSZNGBHWYIBK-NSHDSACASA-N 1 0 342.421 1.386 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459648024 447731522 /nfs/dbraw/zinc/73/15/22/447731522.db2.gz BPDTXTPUVWMFOU-YCPHGPKFSA-N 1 0 348.399 1.835 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)c([N+](=O)[O-])c1 ZINC000459686915 447739573 /nfs/dbraw/zinc/73/95/73/447739573.db2.gz VPJKNCKUJDFQOE-ZFWWWQNUSA-N 1 0 331.372 1.695 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1(CO)CCSCC1 ZINC000459708071 447746799 /nfs/dbraw/zinc/74/67/99/447746799.db2.gz WUVZTWHPHFJFKP-GFCCVEGCSA-N 1 0 342.417 1.182 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000451863280 447766373 /nfs/dbraw/zinc/76/63/73/447766373.db2.gz FMNTWDKDWGJJIE-OCCSQVGLSA-N 1 0 325.390 1.061 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000422847381 447768391 /nfs/dbraw/zinc/76/83/91/447768391.db2.gz RIUZIIUWMMIHLE-IINYFYTJSA-N 1 0 335.360 1.581 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)s1 ZINC000431024634 447789981 /nfs/dbraw/zinc/78/99/81/447789981.db2.gz VUEPSSIPVZLYES-UHFFFAOYSA-N 1 0 331.419 1.421 20 5 EDBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000530545373 447911077 /nfs/dbraw/zinc/91/10/77/447911077.db2.gz XLFGPBBJSRBXLZ-UHFFFAOYSA-N 1 0 342.421 1.486 20 5 EDBDRO COCC[N@@H+]1CCCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000491224938 447965491 /nfs/dbraw/zinc/96/54/91/447965491.db2.gz PRZWLHVTXADQNZ-SREVYHEPSA-N 1 0 333.388 1.789 20 5 EDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525183005 447974398 /nfs/dbraw/zinc/97/43/98/447974398.db2.gz HUMSWULFIKYGLM-LBPRGKRZSA-N 1 0 342.421 1.485 20 5 EDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000576824466 448149709 /nfs/dbraw/zinc/14/97/09/448149709.db2.gz BBFUYPJICBQNFT-BZJXFRBESA-N 1 0 333.344 1.569 20 5 EDBDRO Cc1cnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c([N+](=O)[O-])c1 ZINC000532093133 448200601 /nfs/dbraw/zinc/20/06/01/448200601.db2.gz XBZXDMVJBJMTHM-HNNXBMFYSA-N 1 0 333.436 1.903 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000591012879 448230208 /nfs/dbraw/zinc/23/02/08/448230208.db2.gz YICUASWDSGHSKV-AWEZNQCLSA-N 1 0 346.387 1.442 20 5 EDBDRO CCCN(CC[NH+](CC)CC)C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000582430011 448237113 /nfs/dbraw/zinc/23/71/13/448237113.db2.gz LEOSXRARNPRCSR-UHFFFAOYSA-N 1 0 337.424 2.226 20 5 EDBDRO CCC[NH+]1CCC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000591446828 448366186 /nfs/dbraw/zinc/36/61/86/448366186.db2.gz GCOJALOASFVQPA-UHFFFAOYSA-N 1 0 335.360 1.928 20 5 EDBDRO CC[C@@H]1CN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000591346338 448333167 /nfs/dbraw/zinc/33/31/67/448333167.db2.gz KSRPOWKUABCAMX-OLZOCXBDSA-N 1 0 336.392 1.872 20 5 EDBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000493282246 448382157 /nfs/dbraw/zinc/38/21/57/448382157.db2.gz BHCNSCJEWURKEY-DHZHZOJOSA-N 1 0 348.447 1.950 20 5 EDBDRO CCNC(=O)N1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000583079699 448417974 /nfs/dbraw/zinc/41/79/74/448417974.db2.gz GUOPMUFTROIKJW-LBPRGKRZSA-N 1 0 349.391 1.317 20 5 EDBDRO CCC[C@@H](C)[C@H](CO)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000583086956 448421482 /nfs/dbraw/zinc/42/14/82/448421482.db2.gz BOAQQPCYJSYCGB-DOMZBBRYSA-N 1 0 335.404 1.871 20 5 EDBDRO CC(C)[C@@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@H](C)[NH3+] ZINC000578010121 448439377 /nfs/dbraw/zinc/43/93/77/448439377.db2.gz YVFGYVYSQTWNPV-ZUZCIYMTSA-N 1 0 331.376 2.543 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cc(-c3ccccc3)on2)c1 ZINC000591732841 448474914 /nfs/dbraw/zinc/47/49/14/448474914.db2.gz WAVORFSAAITHCC-OAHLLOKOSA-N 1 0 343.343 1.597 20 5 EDBDRO CC(C)(C)C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000578237331 448495251 /nfs/dbraw/zinc/49/52/51/448495251.db2.gz IWDWSMXCKIVHMS-CHWSQXEVSA-N 1 0 326.393 1.721 20 5 EDBDRO Cc1nccn1C[C@H](C)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000517127034 448540507 /nfs/dbraw/zinc/54/05/07/448540507.db2.gz JNWXGNWWEZMUCI-HIFRSBDPSA-N 1 0 348.403 1.765 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000573111358 448546503 /nfs/dbraw/zinc/54/65/03/448546503.db2.gz APMVSEQLHDYJRU-VXGBXAGGSA-N 1 0 332.360 1.205 20 5 EDBDRO C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000540141176 448632113 /nfs/dbraw/zinc/63/21/13/448632113.db2.gz FUEPSCJXKKNKKO-NSHDSACASA-N 1 0 329.422 1.963 20 5 EDBDRO C[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[NH+]1CC(C)C1 ZINC000573624081 448674285 /nfs/dbraw/zinc/67/42/85/448674285.db2.gz SOYBOVKTWIDQJK-CHWSQXEVSA-N 1 0 333.392 1.343 20 5 EDBDRO O=C(NCC[C@H]1CC[NH2+]C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000573683976 448689192 /nfs/dbraw/zinc/68/91/92/448689192.db2.gz DSDODUDYHAGNPQ-CQSZACIVSA-N 1 0 346.431 1.927 20 5 EDBDRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000579239090 448750557 /nfs/dbraw/zinc/75/05/57/448750557.db2.gz IXDQSYVWXHKBDX-DOMZBBRYSA-N 1 0 339.417 1.596 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](CO)C1CCCCC1 ZINC000544118854 448753621 /nfs/dbraw/zinc/75/36/21/448753621.db2.gz GMZGOXFNTLSACK-HUUCEWRRSA-N 1 0 338.404 1.865 20 5 EDBDRO O=C1COc2ccc([N+](=O)[O-])cc2N1Cc1nc([C@H]2CCC[NH2+]2)no1 ZINC000592356986 448804500 /nfs/dbraw/zinc/80/45/00/448804500.db2.gz OTIREZWXWOEQKZ-SNVBAGLBSA-N 1 0 345.315 1.328 20 5 EDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCN1CCCC1=O ZINC000568051951 448807003 /nfs/dbraw/zinc/80/70/03/448807003.db2.gz GOAFCUCOGWUWGY-LBPRGKRZSA-N 1 0 334.376 1.524 20 5 EDBDRO CC(C)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000592380393 448812886 /nfs/dbraw/zinc/81/28/86/448812886.db2.gz UXDQMSDDUZSQCZ-LLVKDONJSA-N 1 0 347.824 1.867 20 5 EDBDRO COc1cc(OCC(=O)NCCC[NH2+]C(C)C)ccc1[N+](=O)[O-] ZINC000592296688 448777590 /nfs/dbraw/zinc/77/75/90/448777590.db2.gz BCMQXDKHQPPOKK-UHFFFAOYSA-N 1 0 325.365 1.487 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000592392931 448821138 /nfs/dbraw/zinc/82/11/38/448821138.db2.gz KIMWNTSKHSOPSK-PWSUYJOCSA-N 1 0 327.406 1.563 20 5 EDBDRO CSCC[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000579592342 448829210 /nfs/dbraw/zinc/82/92/10/448829210.db2.gz PUZRTCHSZKZCBK-NSHDSACASA-N 1 0 348.446 1.072 20 5 EDBDRO CC(C)[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000592484401 448856232 /nfs/dbraw/zinc/85/62/32/448856232.db2.gz APCAUTDWZRLNLM-OAHLLOKOSA-N 1 0 332.404 1.414 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000574462347 448880146 /nfs/dbraw/zinc/88/01/46/448880146.db2.gz GGUCMPMWTGVRGY-GXFFZTMASA-N 1 0 335.360 1.723 20 5 EDBDRO CC(=O)NCCN(C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000568508321 448880753 /nfs/dbraw/zinc/88/07/53/448880753.db2.gz ZHYAWHPPXCTAPV-SNVBAGLBSA-N 1 0 333.348 1.774 20 5 EDBDRO COc1cc(OCC(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000592568316 448904423 /nfs/dbraw/zinc/90/44/23/448904423.db2.gz MNBRCTIUXZZURU-GFCCVEGCSA-N 1 0 349.387 1.773 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000574517906 448893022 /nfs/dbraw/zinc/89/30/22/448893022.db2.gz OKFANJKWRHYOSM-CQSZACIVSA-N 1 0 344.375 1.431 20 5 EDBDRO NS(=O)(=O)c1ccc(NCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000589105795 448969115 /nfs/dbraw/zinc/96/91/15/448969115.db2.gz YDFSKACQMNQTPM-UHFFFAOYSA-N 1 0 342.421 1.530 20 5 EDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588860115 448941746 /nfs/dbraw/zinc/94/17/46/448941746.db2.gz DRIGQVVADFQQFV-KGLIPLIRSA-N 1 0 348.403 1.064 20 5 EDBDRO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000592953629 449075845 /nfs/dbraw/zinc/07/58/45/449075845.db2.gz XEIJDISJJPWXSL-AWEZNQCLSA-N 1 0 333.344 1.728 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000589930222 449085090 /nfs/dbraw/zinc/08/50/90/449085090.db2.gz UXXWHJNHLDDSBB-OCCSQVGLSA-N 1 0 325.390 1.061 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000599909284 449106067 /nfs/dbraw/zinc/10/60/67/449106067.db2.gz WYSRKGQTJDUDPD-CALCHBBNSA-N 1 0 348.403 1.744 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC1CC([NH+](C)C)C1 ZINC000590355868 449137045 /nfs/dbraw/zinc/13/70/45/449137045.db2.gz JTULEXOZINOHGP-MCIGGMRASA-N 1 0 338.412 1.036 20 5 EDBDRO CCO[C@@H]1CN(CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593736710 449170843 /nfs/dbraw/zinc/17/08/43/449170843.db2.gz FCQAIQCNRGKMBE-MLGOLLRUSA-N 1 0 339.392 1.278 20 5 EDBDRO Cc1sc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000590400711 449149203 /nfs/dbraw/zinc/14/92/03/449149203.db2.gz YGFIJSAYLOUVND-YPMHNXCESA-N 1 0 339.417 1.900 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000590589901 449205473 /nfs/dbraw/zinc/20/54/73/449205473.db2.gz SKPYWRJGTXVDBF-RYUDHWBXSA-N 1 0 327.406 1.616 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000590590590 449206156 /nfs/dbraw/zinc/20/61/56/449206156.db2.gz ZNIDLESFDXAXHM-PWSUYJOCSA-N 1 0 343.405 1.317 20 5 EDBDRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000604227423 449195370 /nfs/dbraw/zinc/19/53/70/449195370.db2.gz ABAKIFANDYXKFE-SECBINFHSA-N 1 0 340.767 1.397 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000611242528 449233865 /nfs/dbraw/zinc/23/38/65/449233865.db2.gz OJBZGBXGOLAIHB-HNNXBMFYSA-N 1 0 348.403 1.522 20 5 EDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000595908636 449246257 /nfs/dbraw/zinc/24/62/57/449246257.db2.gz ODOICICUBOLXCX-GZMMTYOYSA-N 1 0 334.298 1.743 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000593386301 449257144 /nfs/dbraw/zinc/25/71/44/449257144.db2.gz UULYGBFAIKUVKT-UHFFFAOYSA-N 1 0 331.376 1.439 20 5 EDBDRO COCC[NH+]1CCC(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593418180 449274084 /nfs/dbraw/zinc/27/40/84/449274084.db2.gz BAHAHQMSXRSIMG-UHFFFAOYSA-N 1 0 339.367 1.503 20 5 EDBDRO CC1(C)CC[NH2+][C@@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595948490 449274627 /nfs/dbraw/zinc/27/46/27/449274627.db2.gz LPVZSMXXGLTVNY-BXUZGUMPSA-N 1 0 333.392 1.391 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NCCC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000593918850 449286557 /nfs/dbraw/zinc/28/65/57/449286557.db2.gz KQYFYHSVPHLMES-UHFFFAOYSA-N 1 0 348.403 1.139 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000590767504 449287596 /nfs/dbraw/zinc/28/75/96/449287596.db2.gz GJVRWCSLSOSRNC-LRDDRELGSA-N 1 0 341.371 1.761 20 5 EDBDRO CNC(=O)C[NH+]1CCC(Nc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593456771 449293272 /nfs/dbraw/zinc/29/32/72/449293272.db2.gz GHRRNWMILTZHCH-UHFFFAOYSA-N 1 0 343.387 1.765 20 5 EDBDRO CCOc1cc(N2CCN(CC[NH+](C)C)C(=O)C2)ccc1[N+](=O)[O-] ZINC000593486096 449304407 /nfs/dbraw/zinc/30/44/07/449304407.db2.gz KBUFPPVFJKIKBE-UHFFFAOYSA-N 1 0 336.392 1.204 20 5 EDBDRO C[NH+](C)CCN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1=O ZINC000593486259 449306155 /nfs/dbraw/zinc/30/61/55/449306155.db2.gz SDWLRDUGSMAIKY-UHFFFAOYSA-N 1 0 343.387 1.353 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000611616441 449360325 /nfs/dbraw/zinc/36/03/25/449360325.db2.gz PJQJUQDAOPMKNT-OAHLLOKOSA-N 1 0 333.436 1.823 20 5 EDBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596103932 449362974 /nfs/dbraw/zinc/36/29/74/449362974.db2.gz IFPKAEOPTNSABD-JTQLQIEISA-N 1 0 341.799 1.064 20 5 EDBDRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000611554488 449335541 /nfs/dbraw/zinc/33/55/41/449335541.db2.gz RUDGFANNPNQVQA-FOGDFJRCSA-N 1 0 336.314 1.815 20 5 EDBDRO CCN(C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000596177828 449398434 /nfs/dbraw/zinc/39/84/34/449398434.db2.gz HRUVPMUMIARUDV-ZDUSSCGKSA-N 1 0 336.392 1.839 20 5 EDBDRO CCc1ccc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000598452814 449401707 /nfs/dbraw/zinc/40/17/07/449401707.db2.gz MPYRNFHCOITHFY-MRXNPFEDSA-N 1 0 347.415 1.828 20 5 EDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000598452910 449402526 /nfs/dbraw/zinc/40/25/26/449402526.db2.gz NQWLTMSIRIJQJP-GFCCVEGCSA-N 1 0 325.390 1.328 20 5 EDBDRO CC(C)[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH2+]1 ZINC000598572862 449472101 /nfs/dbraw/zinc/47/21/01/449472101.db2.gz MASAHVBPFYJLRC-INIZCTEOSA-N 1 0 343.387 1.851 20 5 EDBDRO C[C@H](C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000594393819 449490450 /nfs/dbraw/zinc/49/04/50/449490450.db2.gz RDTBXJIGXARIFK-WCFLWFBJSA-N 1 0 337.351 1.115 20 5 EDBDRO O=C(CC[C@@H]1CCC[NH2+]C1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000598665338 449528178 /nfs/dbraw/zinc/52/81/78/449528178.db2.gz MAKNFJLAXMCOTJ-UONOGXRCSA-N 1 0 347.419 1.782 20 5 EDBDRO COc1ccc(NC(=O)CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC000600745187 449529836 /nfs/dbraw/zinc/52/98/36/449529836.db2.gz RCBHYPCMBKWPLI-CALCHBBNSA-N 1 0 348.403 1.473 20 5 EDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000598671086 449531761 /nfs/dbraw/zinc/53/17/61/449531761.db2.gz YLSUDPZOCVJYFE-MEDUHNTESA-N 1 0 347.375 1.056 20 5 EDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000598671087 449532483 /nfs/dbraw/zinc/53/24/83/449532483.db2.gz YLSUDPZOCVJYFE-ZBEGNZNMSA-N 1 0 347.375 1.056 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000600758202 449537632 /nfs/dbraw/zinc/53/76/32/449537632.db2.gz WNDWCVLZTSLZTB-CVEARBPZSA-N 1 0 349.431 1.941 20 5 EDBDRO Cc1sc(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000594476775 449542419 /nfs/dbraw/zinc/54/24/19/449542419.db2.gz ZUBAMNIVLVZQFE-AOOOYVTPSA-N 1 0 333.435 1.583 20 5 EDBDRO CC(C)[N@@H+]1CCO[C@H](Cn2cc(-c3ccc([N+](=O)[O-])nc3)cn2)C1 ZINC000600789935 449547120 /nfs/dbraw/zinc/54/71/20/449547120.db2.gz UUNCHWHEONRUSH-HNNXBMFYSA-N 1 0 331.376 1.963 20 5 EDBDRO C[C@@H]1CN(CCNc2nc3sccn3c2[N+](=O)[O-])[C@H](C)CO1 ZINC000596426863 449497347 /nfs/dbraw/zinc/49/73/47/449497347.db2.gz CHLXDLQSSGJDRZ-NXEZZACHSA-N 1 0 325.394 1.825 20 5 EDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1cn([C@@H]3CC[NH2+]C3)nn1)CCC2 ZINC000600713296 449512138 /nfs/dbraw/zinc/51/21/38/449512138.db2.gz HIGWUYXRKDFMLN-WBVHZDCISA-N 1 0 342.403 1.888 20 5 EDBDRO CCOc1cc(N(CC[NH+](C)C)CC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000596464848 449516423 /nfs/dbraw/zinc/51/64/23/449516423.db2.gz ZAWXUHBWUXXZEA-UHFFFAOYSA-N 1 0 338.408 1.450 20 5 EDBDRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)CCc1ccccc1[N+](=O)[O-])C2 ZINC000598725300 449565099 /nfs/dbraw/zinc/56/50/99/449565099.db2.gz NEICSINIFZRICK-ZFWWWQNUSA-N 1 0 339.417 1.280 20 5 EDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000602424299 449576561 /nfs/dbraw/zinc/57/65/61/449576561.db2.gz JGVYVJYGVNVXKF-MRVPVSSYSA-N 1 0 328.166 1.839 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598713786 449559048 /nfs/dbraw/zinc/55/90/48/449559048.db2.gz DCENKEHNADLDAO-RYUDHWBXSA-N 1 0 327.406 1.617 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000598714119 449559067 /nfs/dbraw/zinc/55/90/67/449559067.db2.gz FUNIMWODECSGIG-CHWSQXEVSA-N 1 0 341.433 1.960 20 5 EDBDRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000598720125 449561363 /nfs/dbraw/zinc/56/13/63/449561363.db2.gz MLFFPALZJJLYDA-TVQRCGJNSA-N 1 0 345.808 1.750 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598721102 449563163 /nfs/dbraw/zinc/56/31/63/449563163.db2.gz SGNYUSSGLQKFGX-JQWIXIFHSA-N 1 0 327.406 1.712 20 5 EDBDRO COC(=O)COc1ccc(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598722395 449563237 /nfs/dbraw/zinc/56/32/37/449563237.db2.gz YQSGIAZMGARISC-SUMWQHHRSA-N 1 0 349.387 1.460 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)nc1-c1ccccc1 ZINC000594601658 449590291 /nfs/dbraw/zinc/59/02/91/449590291.db2.gz FTTLLDURELRQHQ-LSDHHAIUSA-N 1 0 340.383 1.912 20 5 EDBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594762211 449675590 /nfs/dbraw/zinc/67/55/90/449675590.db2.gz FRCSMDVDKZWVIU-LLVKDONJSA-N 1 0 328.394 1.143 20 5 EDBDRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594769915 449683368 /nfs/dbraw/zinc/68/33/68/449683368.db2.gz BXUFJFRKFNJFGS-UHFFFAOYSA-N 1 0 328.394 1.095 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCC[C@@H]2CCO2)cc1 ZINC000602617161 449707128 /nfs/dbraw/zinc/70/71/28/449707128.db2.gz XUQWXUMBHREHPP-CYBMUJFWSA-N 1 0 328.390 1.527 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCC[C@H]2CCO2)cc1 ZINC000602617164 449708964 /nfs/dbraw/zinc/70/89/64/449708964.db2.gz XUQWXUMBHREHPP-ZDUSSCGKSA-N 1 0 328.390 1.527 20 5 EDBDRO C[C@H](CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+](C)C ZINC000594815751 449724669 /nfs/dbraw/zinc/72/46/69/449724669.db2.gz BNEBJBKIVVBSAU-SECBINFHSA-N 1 0 335.813 1.867 20 5 EDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000601161307 449725386 /nfs/dbraw/zinc/72/53/86/449725386.db2.gz GLAJZCVIUVLKNH-RKDXNWHRSA-N 1 0 349.313 1.256 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000599100086 449732139 /nfs/dbraw/zinc/73/21/39/449732139.db2.gz DVRNKKCLYUWSMR-LBPRGKRZSA-N 1 0 343.405 1.222 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CCOCC1 ZINC000601177201 449734634 /nfs/dbraw/zinc/73/46/34/449734634.db2.gz XJMBARQCMBJFLQ-UHFFFAOYSA-N 1 0 325.340 1.575 20 5 EDBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H](O)C(F)(F)F ZINC000602741334 449777312 /nfs/dbraw/zinc/77/73/12/449777312.db2.gz ARPABSOBXOTSGK-RNCFNFMXSA-N 1 0 348.325 1.860 20 5 EDBDRO O=[N+]([O-])c1cc(Br)ccc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599175511 449781239 /nfs/dbraw/zinc/78/12/39/449781239.db2.gz DKSRWIYUHXQOBC-SNVBAGLBSA-N 1 0 330.182 1.836 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601335843 449844927 /nfs/dbraw/zinc/84/49/27/449844927.db2.gz YLQYTGZMTCXHRR-CZUORRHYSA-N 1 0 332.404 1.916 20 5 EDBDRO COC1CC[NH+](CCNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000617746242 449813670 /nfs/dbraw/zinc/81/36/70/449813670.db2.gz IAENETPSEFNGIK-ZDUSSCGKSA-N 1 0 335.404 1.925 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCNS(C)(=O)=O ZINC000595004976 449839653 /nfs/dbraw/zinc/83/96/53/449839653.db2.gz VLHWDWZINUFDST-JTQLQIEISA-N 1 0 331.394 1.193 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(C(N)=O)CCOCC1 ZINC000595008268 449840003 /nfs/dbraw/zinc/84/00/03/449840003.db2.gz UFGWWRGEKGYNRT-NSHDSACASA-N 1 0 337.376 1.536 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601335841 449844830 /nfs/dbraw/zinc/84/48/30/449844830.db2.gz YLQYTGZMTCXHRR-BBRMVZONSA-N 1 0 332.404 1.916 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1[N+](=O)[O-] ZINC000601346117 449856966 /nfs/dbraw/zinc/85/69/66/449856966.db2.gz MYRVXEBIQYKNQX-IUCAKERBSA-N 1 0 331.781 1.291 20 5 EDBDRO CC[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601359039 449873483 /nfs/dbraw/zinc/87/34/83/449873483.db2.gz PXPPYIXTRXIVIH-PSASIEDQSA-N 1 0 333.435 1.583 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC3CC2(C[NH3+])C3)c1C ZINC000595118011 449878463 /nfs/dbraw/zinc/87/84/63/449878463.db2.gz NPDDKQJZFQUMKL-UHFFFAOYSA-N 1 0 325.390 1.323 20 5 EDBDRO CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000595129568 449888313 /nfs/dbraw/zinc/88/83/13/449888313.db2.gz CYOMIQLOPYAIKY-CQSZACIVSA-N 1 0 334.376 1.476 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCn1cc(CO)nn1 ZINC000595053726 449850300 /nfs/dbraw/zinc/85/03/00/449850300.db2.gz YNVCOOSMZKGTRE-LLVKDONJSA-N 1 0 335.364 1.428 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000601420215 449936768 /nfs/dbraw/zinc/93/67/68/449936768.db2.gz CEGWFJRTRCUVHX-SMDDNHRTSA-N 1 0 341.433 1.870 20 5 EDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000602960172 449960299 /nfs/dbraw/zinc/96/02/99/449960299.db2.gz JQVMAEZZDGAVTQ-OLZOCXBDSA-N 1 0 333.392 1.811 20 5 EDBDRO [NH3+][C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[C@H]1F ZINC000595260710 449982905 /nfs/dbraw/zinc/98/29/05/449982905.db2.gz JWTQRSNGVBFIAY-VXGBXAGGSA-N 1 0 333.323 1.292 20 5 EDBDRO [NH3+]C1(CNC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCCC1 ZINC000595271851 449991864 /nfs/dbraw/zinc/99/18/64/449991864.db2.gz ZLYKZHWRQREZEJ-UHFFFAOYSA-N 1 0 348.407 1.093 20 5 EDBDRO C[NH+](C)CCCCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000599474548 450005198 /nfs/dbraw/zinc/00/51/98/450005198.db2.gz UMMGDPQVATUQKL-UHFFFAOYSA-N 1 0 349.366 1.991 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000609387927 450022081 /nfs/dbraw/zinc/02/20/81/450022081.db2.gz OAYLFFONKUKBSY-ZDUSSCGKSA-N 1 0 339.417 1.666 20 5 EDBDRO NS(=O)(=O)c1ccc(N[C@@H]2CC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000609384328 450021044 /nfs/dbraw/zinc/02/10/44/450021044.db2.gz KABMDWUADWMEOK-LLVKDONJSA-N 1 0 340.405 1.138 20 5 EDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)c2c(F)cccc2[N+](=O)[O-])[N@H+](C)C1 ZINC000601568001 450078716 /nfs/dbraw/zinc/07/87/16/450078716.db2.gz NNZLHDXLVODAEK-QWRGUYRKSA-N 1 0 325.340 1.525 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000597534468 450089329 /nfs/dbraw/zinc/08/93/29/450089329.db2.gz LSHYFZCTIJOEQZ-VXGBXAGGSA-N 1 0 325.340 1.955 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000599609825 450101349 /nfs/dbraw/zinc/10/13/49/450101349.db2.gz BLIFPDWKIXODPV-DTWKUNHWSA-N 1 0 347.297 1.403 20 5 EDBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000599626713 450113862 /nfs/dbraw/zinc/11/38/62/450113862.db2.gz ZCIJBLFFMNFWCV-KVFJLYFUSA-N 1 0 333.388 1.885 20 5 EDBDRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000609991318 450123156 /nfs/dbraw/zinc/12/31/56/450123156.db2.gz AZFYDKOVLBSARH-GXTWGEPZSA-N 1 0 333.392 1.487 20 5 EDBDRO C[NH+](C)CC1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000610273752 450179862 /nfs/dbraw/zinc/17/98/62/450179862.db2.gz FGYCQOJRASWZBX-UHFFFAOYSA-N 1 0 342.421 1.020 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000595447306 450148428 /nfs/dbraw/zinc/14/84/28/450148428.db2.gz GWDFMQKEEZAZFG-CYBMUJFWSA-N 1 0 336.392 1.887 20 5 EDBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601665377 450152906 /nfs/dbraw/zinc/15/29/06/450152906.db2.gz WAJNRBGCYRBBKL-LBPRGKRZSA-N 1 0 340.399 1.736 20 5 EDBDRO C[C@H](c1ccccc1[N+](=O)[O-])n1cc(CN2CC[NH+](C)CC2)nn1 ZINC000603220342 450153228 /nfs/dbraw/zinc/15/32/28/450153228.db2.gz SZHQWJCBHBCNEQ-CYBMUJFWSA-N 1 0 330.392 1.543 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000597624925 450153548 /nfs/dbraw/zinc/15/35/48/450153548.db2.gz GDLYQIAFIXGSPV-AWEZNQCLSA-N 1 0 332.404 1.331 20 5 EDBDRO CC(C)[NH+](CCNS(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)C ZINC000610212067 450154446 /nfs/dbraw/zinc/15/44/46/450154446.db2.gz JRFLTEIRBDZKKA-UHFFFAOYSA-N 1 0 330.410 1.387 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c([N+](=O)[O-])s1 ZINC000603313126 450236804 /nfs/dbraw/zinc/23/68/04/450236804.db2.gz IBBZVATXBKJIDK-NXEZZACHSA-N 1 0 333.435 1.726 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000619868444 450347346 /nfs/dbraw/zinc/34/73/46/450347346.db2.gz ZDJNBWDSGFDXIT-UHFFFAOYSA-N 1 0 335.408 1.516 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000619871767 450348921 /nfs/dbraw/zinc/34/89/21/450348921.db2.gz XNJZEDPSDYRDLL-OAHLLOKOSA-N 1 0 333.388 1.922 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000619871886 450349506 /nfs/dbraw/zinc/34/95/06/450349506.db2.gz DIVJZGKTVVLRAH-MRXNPFEDSA-N 1 0 347.415 1.851 20 5 EDBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619481974 450485382 /nfs/dbraw/zinc/48/53/82/450485382.db2.gz BPQMFCXAAJFXNS-LLVKDONJSA-N 1 0 345.421 1.612 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C1CC1 ZINC000619481260 450485577 /nfs/dbraw/zinc/48/55/77/450485577.db2.gz XBAASFWNTCRXEH-UHFFFAOYSA-N 1 0 343.405 1.366 20 5 EDBDRO CC[NH+]1CCN(c2cccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c2)CC1 ZINC000187404846 527710790 /nfs/dbraw/zinc/71/07/90/527710790.db2.gz HQKKMFUPCILOKH-UHFFFAOYSA-N 1 0 344.375 1.712 20 5 EDBDRO CC(C)[C@@](C)(CO)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000352920478 535309885 /nfs/dbraw/zinc/30/98/85/535309885.db2.gz ZZVOKZCPUJMWTB-OAHLLOKOSA-N 1 0 339.348 1.259 20 5 EDBDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000347956631 535804072 /nfs/dbraw/zinc/80/40/72/535804072.db2.gz MQGYOXLPVBXZSB-SWLSCSKDSA-N 1 0 342.417 1.773 20 5 EDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000252656856 536469984 /nfs/dbraw/zinc/46/99/84/536469984.db2.gz WGQNLPPAECIXTI-DZGCQCFKSA-N 1 0 332.404 1.949 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000353179240 536476752 /nfs/dbraw/zinc/47/67/52/536476752.db2.gz DKSIXWJWJLIECI-MNOVXSKESA-N 1 0 326.349 1.396 20 5 EDBDRO COc1ccc(F)cc1[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000271656067 536634118 /nfs/dbraw/zinc/63/41/18/536634118.db2.gz JYFZVTDUJDJKGC-ZWNOBZJWSA-N 1 0 338.339 1.651 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000741579884 579421193 /nfs/dbraw/zinc/42/11/93/579421193.db2.gz QZUZAEOAKWDHIC-IUODEOHRSA-N 1 0 345.403 1.743 20 5 EDBDRO O=Cc1ccc(OCC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000731619277 578677201 /nfs/dbraw/zinc/67/72/01/578677201.db2.gz VAKHORDCPMUHHN-LBPRGKRZSA-N 1 0 333.344 1.139 20 5 EDBDRO CC(C)[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000749665238 579734080 /nfs/dbraw/zinc/73/40/80/579734080.db2.gz UOYICOHQCFLZHE-SJORKVTESA-N 1 0 337.420 1.575 20 5 EDBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000751304070 579800825 /nfs/dbraw/zinc/80/08/25/579800825.db2.gz QIBDXXHEKYWACI-ZDUSSCGKSA-N 1 0 339.367 1.821 20 5 EDBDRO CC[C@@H](CO)[NH+]1CCN(C(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000752619467 579862513 /nfs/dbraw/zinc/86/25/13/579862513.db2.gz RROYKRCIGFHAGG-GRNBYLDVSA-N 1 0 347.415 1.913 20 5 EDBDRO CN1CC[NH+](CC2(C)CCN(Cn3nccc3[N+](=O)[O-])CC2)CC1 ZINC000758254081 579978559 /nfs/dbraw/zinc/97/85/59/579978559.db2.gz QFQWMTHXGNYGEA-UHFFFAOYSA-N 1 0 336.440 1.098 20 5 EDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000778295974 580461141 /nfs/dbraw/zinc/46/11/41/580461141.db2.gz YVBCSIPHHLLMHE-VIFPVBQESA-N 1 0 335.389 1.671 20 5 EDBDRO CC(C)N1CCO[C@@H](C(=[NH2+])NOCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000779649670 580492816 /nfs/dbraw/zinc/49/28/16/580492816.db2.gz KDMZOCQOMGKBMJ-CQSZACIVSA-N 1 0 340.355 1.842 20 5 EDBDRO COc1cc(OCC(=O)NCC[N@@H+]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000783919422 580608236 /nfs/dbraw/zinc/60/82/36/580608236.db2.gz XSZODZXUFHZFPC-LBPRGKRZSA-N 1 0 337.376 1.583 20 5 EDBDRO COCCS(=O)(=O)CCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000795217639 580916131 /nfs/dbraw/zinc/91/61/31/580916131.db2.gz CLONOGQHMBVZNV-UHFFFAOYSA-N 1 0 344.433 1.871 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000800606724 581055564 /nfs/dbraw/zinc/05/55/64/581055564.db2.gz FFOHRAYNDFKORA-SNVBAGLBSA-N 1 0 338.339 1.049 20 5 EDBDRO C[C@H]1C[N@H+](CCCOC(=O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000893389680 590828922 /nfs/dbraw/zinc/82/89/22/590828922.db2.gz AGQHFDZKYWJEKR-ZDUSSCGKSA-N 1 0 338.360 1.628 20 5 EDBDRO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)C1 ZINC000892986465 591246883 /nfs/dbraw/zinc/24/68/83/591246883.db2.gz WSPRZARPHOPNDD-HNNXBMFYSA-N 1 0 343.387 1.664 20 5 EDBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1[N+](=O)[O-] ZINC000894510609 591327987 /nfs/dbraw/zinc/32/79/87/591327987.db2.gz FMRVRXZDRUIRPD-ZDUSSCGKSA-N 1 0 349.387 1.753 20 5 EDBDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000896619826 591555119 /nfs/dbraw/zinc/55/51/19/591555119.db2.gz WWUQXYYGBXDNQX-CYBMUJFWSA-N 1 0 339.392 1.509 20 5 EDBDRO C[N@@H+]1C[C@@H]2CN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C[C@]2(C)C1 ZINC000896913296 591676734 /nfs/dbraw/zinc/67/67/34/591676734.db2.gz QAZIZOAQNPVHIR-HWPZZCPQSA-N 1 0 329.360 1.632 20 5 EDBDRO C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@H]1C[N@H+](C)CCN1C ZINC000895245769 591677332 /nfs/dbraw/zinc/67/73/32/591677332.db2.gz ICAHLBFUDNYZOB-XHDPSFHLSA-N 1 0 330.392 1.584 20 5 EDBDRO C[NH+](C)CC[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000895324548 591713736 /nfs/dbraw/zinc/71/37/36/591713736.db2.gz IOBIAHJXRGEZEP-GFCCVEGCSA-N 1 0 341.433 1.776 20 5 EDBDRO O=C1NC[C@H](O)CC12CC[NH+](C/C=C\c1ccccc1[N+](=O)[O-])CC2 ZINC000897040705 591722071 /nfs/dbraw/zinc/72/20/71/591722071.db2.gz IZWUNDAJCGORML-UYWPIULCSA-N 1 0 345.399 1.571 20 5 EDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)s1 ZINC000897220561 591774072 /nfs/dbraw/zinc/77/40/72/591774072.db2.gz XNQUBUDSFDOGCX-NWDGAFQWSA-N 1 0 349.416 1.635 20 5 EDBDRO COC[C@@H]1C[NH2+]CCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000900448723 592020970 /nfs/dbraw/zinc/02/09/70/592020970.db2.gz AZHGOHJVDXZAAW-JTQLQIEISA-N 1 0 330.182 1.782 20 5 EDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[C@@H]1C[N@H+](C)CCN1C ZINC000900807676 592131051 /nfs/dbraw/zinc/13/10/51/592131051.db2.gz UYRHEHJLRCZUBC-LRDDRELGSA-N 1 0 349.435 1.025 20 5 EDBDRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000903574239 592226320 /nfs/dbraw/zinc/22/63/20/592226320.db2.gz XLGJHVJVLXICDB-AWEZNQCLSA-N 1 0 341.433 1.541 20 5 EDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccnn1CC[NH+](C)C ZINC000908052646 592290589 /nfs/dbraw/zinc/29/05/89/592290589.db2.gz FWUBGNZLTLRLRU-UHFFFAOYSA-N 1 0 345.403 1.668 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000905446293 592528616 /nfs/dbraw/zinc/52/86/16/592528616.db2.gz FOYMQJRSELLYEL-NXEZZACHSA-N 1 0 344.236 1.776 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)C3(O)CCCC3)CC2)cc1 ZINC000905876118 592665676 /nfs/dbraw/zinc/66/56/76/592665676.db2.gz VZUZBRRGPHWSGM-MRXNPFEDSA-N 1 0 335.404 1.383 20 5 EDBDRO C[NH+]1CCC(CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC1 ZINC000906494261 592831785 /nfs/dbraw/zinc/83/17/85/592831785.db2.gz GLHJFPWHRRCDSU-UHFFFAOYSA-N 1 0 349.387 1.828 20 5 EDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000911883001 593030405 /nfs/dbraw/zinc/03/04/05/593030405.db2.gz MEMPNRQGFRXJLK-BXKDBHETSA-N 1 0 325.390 1.505 20 5 EDBDRO O=C([C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000912001509 593047701 /nfs/dbraw/zinc/04/77/01/593047701.db2.gz PTMCKRXGXCZWHR-BFHYXJOUSA-N 1 0 330.388 1.384 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000912350570 593087989 /nfs/dbraw/zinc/08/79/89/593087989.db2.gz DVIMGEYTKAZBHZ-UHFFFAOYSA-N 1 0 347.415 1.897 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000787120484 593151267 /nfs/dbraw/zinc/15/12/67/593151267.db2.gz HCCUWXXCNIKSDD-CQSZACIVSA-N 1 0 348.403 1.504 20 5 EDBDRO CN(Cn1c(=O)oc2cccc([N+](=O)[O-])c21)CC1([NH+](C)C)CCC1 ZINC000794641061 593185078 /nfs/dbraw/zinc/18/50/78/593185078.db2.gz CDQXJIGYOAWVMX-UHFFFAOYSA-N 1 0 334.376 1.876 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)OCC1CC[NH+](Cc2ccco2)CC1 ZINC000772689794 593454997 /nfs/dbraw/zinc/45/49/97/593454997.db2.gz GQKRBYZAZUWROJ-UHFFFAOYSA-N 1 0 348.359 1.840 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000817490065 593607525 /nfs/dbraw/zinc/60/75/25/593607525.db2.gz LPSYSAOUVZHOSN-LBPRGKRZSA-N 1 0 336.348 1.978 20 5 EDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000818589660 593706136 /nfs/dbraw/zinc/70/61/36/593706136.db2.gz FXMLMFQBRIWGNZ-UVWXRNBGSA-N 1 0 331.376 1.447 20 5 EDBDRO O=C(NCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000818955790 593730389 /nfs/dbraw/zinc/73/03/89/593730389.db2.gz DXAGSHKYQHJNFX-OAHLLOKOSA-N 1 0 330.344 1.043 20 5 EDBDRO CC1(C)OC[C@@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000819155671 593741958 /nfs/dbraw/zinc/74/19/58/593741958.db2.gz OYPGVQGELYBDTK-TZMCWYRMSA-N 1 0 326.349 1.076 20 5 EDBDRO Cn1nccc1[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000819352227 593751553 /nfs/dbraw/zinc/75/15/53/593751553.db2.gz CQDYQWLTDYJXJZ-COXVUDFISA-N 1 0 346.387 1.872 20 5 EDBDRO C[C@@H]1CN(CCNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000824950505 594103552 /nfs/dbraw/zinc/10/35/52/594103552.db2.gz OXZSDYWIRMLSMK-UWWPHRKUSA-N 1 0 347.415 1.924 20 5 EDBDRO CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000824955331 594104574 /nfs/dbraw/zinc/10/45/74/594104574.db2.gz ALNAPNUBNFSBON-DLBZAZTESA-N 1 0 348.447 1.698 20 5 EDBDRO O=[N+]([O-])c1cc(-c2nc(N3CC[NH2+]CC3)no2)ccc1NC1CC1 ZINC000823309950 594183631 /nfs/dbraw/zinc/18/36/31/594183631.db2.gz QNSOQNDNWRKPJR-UHFFFAOYSA-N 1 0 330.348 1.629 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1[C@@H](CC[NH+](C)C)CCC[C@@H]1C ZINC000825586095 594203509 /nfs/dbraw/zinc/20/35/09/594203509.db2.gz FYRQEWVGIRKBNE-GXTWGEPZSA-N 1 0 337.424 1.821 20 5 EDBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000830169181 594349469 /nfs/dbraw/zinc/34/94/69/594349469.db2.gz WITPCVBJNQSNNK-UHFFFAOYSA-N 1 0 339.367 1.699 20 5 EDBDRO O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1CC[C@@H]1CCC[NH2+]C1 ZINC000830413768 594391560 /nfs/dbraw/zinc/39/15/60/594391560.db2.gz FYXDWUPDHGHWRL-JTQLQIEISA-N 1 0 339.373 1.129 20 5 EDBDRO [NH3+]CCCCCCCN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O ZINC000830414373 594392056 /nfs/dbraw/zinc/39/20/56/594392056.db2.gz RPCDJGYGUSDEOO-UHFFFAOYSA-N 1 0 341.389 1.649 20 5 EDBDRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000830550355 594420424 /nfs/dbraw/zinc/42/04/24/594420424.db2.gz WYLQRUTXDLHOMF-CQSZACIVSA-N 1 0 338.751 1.422 20 5 EDBDRO O=C1CC[C@@H]([NH+]2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)CCN1 ZINC000829352484 594601087 /nfs/dbraw/zinc/60/10/87/594601087.db2.gz NXIBLPLFSTYJOV-GFCCVEGCSA-N 1 0 336.367 1.525 20 5 EDBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@@H]1[NH+](C)C ZINC000831299785 594603066 /nfs/dbraw/zinc/60/30/66/594603066.db2.gz MXMFQXCGVSFSID-STQMWFEESA-N 1 0 327.381 1.852 20 5 EDBDRO CC(C)(CCC(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1)[N+](=O)[O-] ZINC000826982709 594616313 /nfs/dbraw/zinc/61/63/13/594616313.db2.gz ONFDDMVWXHIXAW-KGLIPLIRSA-N 1 0 327.425 1.582 20 5 EDBDRO CCO[C@@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000831693570 594693128 /nfs/dbraw/zinc/69/31/28/594693128.db2.gz ALRMEXIMVRSHHG-AWEZNQCLSA-N 1 0 341.383 1.749 20 5 EDBDRO CCO[C@@H](CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])C[NH+](C)C ZINC000831737682 594697936 /nfs/dbraw/zinc/69/79/36/594697936.db2.gz KKETZMXNLPHFES-LBPRGKRZSA-N 1 0 327.356 1.739 20 5 EDBDRO CCO[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)C[NH+](C)C ZINC000831751582 594699430 /nfs/dbraw/zinc/69/94/30/594699430.db2.gz NNPCMYRJMOHSJM-GFCCVEGCSA-N 1 0 325.365 1.300 20 5 EDBDRO [NH3+]CC1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000841149500 594858926 /nfs/dbraw/zinc/85/89/26/594858926.db2.gz MGQSWEICGDEALE-UHFFFAOYSA-N 1 0 340.767 1.384 20 5 EDBDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000841174616 594863605 /nfs/dbraw/zinc/86/36/05/594863605.db2.gz YPHMPTQDYYYBLL-LLVKDONJSA-N 1 0 348.403 1.651 20 5 EDBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000833565812 594875834 /nfs/dbraw/zinc/87/58/34/594875834.db2.gz MFJVYNLYYBUEHJ-GFCCVEGCSA-N 1 0 341.795 1.825 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836585742 594977188 /nfs/dbraw/zinc/97/71/88/594977188.db2.gz RIDISPHHJWMWEZ-UHFFFAOYSA-N 1 0 329.784 1.865 20 5 EDBDRO C[NH2+]C[C@H](C)c1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1 ZINC000843224907 595043562 /nfs/dbraw/zinc/04/35/62/595043562.db2.gz ALXPYHGULMNXEY-VIFPVBQESA-N 1 0 336.348 1.909 20 5 EDBDRO COc1cc(Cc2noc(C[C@H]([NH3+])C3CC3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000843224903 595043661 /nfs/dbraw/zinc/04/36/61/595043661.db2.gz ALMISRIDCJBUER-LBPRGKRZSA-N 1 0 348.359 1.866 20 5 EDBDRO O=C(CO[C@@H]1CCC[NH2+]C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000843485340 595126076 /nfs/dbraw/zinc/12/60/76/595126076.db2.gz KOKHDRYPQTYHOE-OAHLLOKOSA-N 1 0 333.388 1.854 20 5 EDBDRO C/C(=C/C(=O)N1CCC[C@](O)(C[NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000834565280 595163941 /nfs/dbraw/zinc/16/39/41/595163941.db2.gz SOOJUPLKFLWGTP-RMHQSFGDSA-N 1 0 347.415 1.913 20 5 EDBDRO [NH3+]CC1(CCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000846232406 595181146 /nfs/dbraw/zinc/18/11/46/595181146.db2.gz SJYCEZUYKMPRHS-UHFFFAOYSA-N 1 0 333.797 1.656 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000842726604 595182299 /nfs/dbraw/zinc/18/22/99/595182299.db2.gz KGBPWAABQRPNPT-SCZZXKLOSA-N 1 0 333.797 1.606 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000842814023 595207406 /nfs/dbraw/zinc/20/74/06/595207406.db2.gz DDPUFPUHZMSREF-UWVGGRQHSA-N 1 0 347.824 1.975 20 5 EDBDRO Cc1ccc([C@@H](O)C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000843088807 595284655 /nfs/dbraw/zinc/28/46/55/595284655.db2.gz QBQSGRDEBVVHBB-JSGCOSHPSA-N 1 0 336.344 1.559 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)c2ccccn2)c1 ZINC000843091742 595285188 /nfs/dbraw/zinc/28/51/88/595285188.db2.gz ANMMXXDOFASVRN-CZUORRHYSA-N 1 0 333.344 1.053 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)Cc2cccc(F)c2)c1 ZINC000843101606 595287790 /nfs/dbraw/zinc/28/77/90/595287790.db2.gz NHKYNAFDQXIJNC-DLBZAZTESA-N 1 0 334.347 1.961 20 5 EDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000848025562 595306250 /nfs/dbraw/zinc/30/62/50/595306250.db2.gz WVCKVIUPRRNCLL-LBPRGKRZSA-N 1 0 341.383 1.865 20 5 EDBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000847103713 595363840 /nfs/dbraw/zinc/36/38/40/595363840.db2.gz YNUIHKICRWXTMN-WDEREUQCSA-N 1 0 340.767 1.531 20 5 EDBDRO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000848397185 595373786 /nfs/dbraw/zinc/37/37/86/595373786.db2.gz VOQDDTCPIQNGLY-WMZOPIPTSA-N 1 0 344.415 1.633 20 5 EDBDRO NC(=O)C[C@@H]1CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848487119 595392981 /nfs/dbraw/zinc/39/29/81/595392981.db2.gz PWNIQOHGFCMYRE-LBPRGKRZSA-N 1 0 329.360 1.613 20 5 EDBDRO CC[C@H](C)NC(=[NH2+])NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000849081466 595479320 /nfs/dbraw/zinc/47/93/20/595479320.db2.gz AEYPITGGJRBKPL-JTQLQIEISA-N 1 0 328.394 1.281 20 5 EDBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857763343 595599064 /nfs/dbraw/zinc/59/90/64/595599064.db2.gz YFJLKJHGOGWIAB-LBPRGKRZSA-N 1 0 341.314 1.825 20 5 EDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766178 595601018 /nfs/dbraw/zinc/60/10/18/595601018.db2.gz NHNVEPHYFYIIQV-ZJUUUORDSA-N 1 0 329.303 1.762 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000857768588 595602233 /nfs/dbraw/zinc/60/22/33/595602233.db2.gz RTAOCKLANOJNRY-LBPRGKRZSA-N 1 0 345.302 1.143 20 5 EDBDRO CN(CCC[NH+](C)C)CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000855415541 595705646 /nfs/dbraw/zinc/70/56/46/595705646.db2.gz YTJXAAAXNMHQFG-UHFFFAOYSA-N 1 0 342.827 1.862 20 5 EDBDRO O=[N+]([O-])c1nn(CN2CC[C@H]3COC[C@@H]3C2)cc1Br ZINC000853586829 595815809 /nfs/dbraw/zinc/81/58/09/595815809.db2.gz BIIJOFHCOOKANS-IUCAKERBSA-N 1 0 331.170 1.480 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@H]4COC[C@H]4C3)n2)c1 ZINC000853589620 595817391 /nfs/dbraw/zinc/81/73/91/595817391.db2.gz VEBXMGBMAGXVHD-UONOGXRCSA-N 1 0 329.360 1.779 20 5 EDBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N(C)CC1C[NH+](C)C1 ZINC000853825812 595893194 /nfs/dbraw/zinc/89/31/94/595893194.db2.gz WJMXKVVMPLZRLX-UHFFFAOYSA-N 1 0 325.340 1.908 20 5 EDBDRO NC(=O)[C@](O)(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000851869753 595955713 /nfs/dbraw/zinc/95/57/13/595955713.db2.gz QAAOSPBUGNWFDM-SFHVURJKSA-N 1 0 341.367 1.326 20 5 EDBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000851897189 595967322 /nfs/dbraw/zinc/96/73/22/595967322.db2.gz NDRZJYIEGUECFU-GFCCVEGCSA-N 1 0 345.396 1.661 20 5 EDBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000856428356 595988121 /nfs/dbraw/zinc/98/81/21/595988121.db2.gz UUDRJBXIZYAKJP-ZDUSSCGKSA-N 1 0 336.392 1.360 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000854650453 596149840 /nfs/dbraw/zinc/14/98/40/596149840.db2.gz CFFZTGNVUNRHFA-CMPLNLGQSA-N 1 0 336.348 1.976 20 5 EDBDRO O=C(CC[N@@H+]1CC[C@@H](N2CCOC2=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000852435965 596161072 /nfs/dbraw/zinc/16/10/72/596161072.db2.gz URGFJVGFVKZDET-CQSZACIVSA-N 1 0 348.359 1.450 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866792090 596349229 /nfs/dbraw/zinc/34/92/29/596349229.db2.gz SXVGNNTZHDWVIW-AOOOYVTPSA-N 1 0 345.808 1.682 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000866822364 596365242 /nfs/dbraw/zinc/36/52/42/596365242.db2.gz FVXWLULXAXNXHC-RYUDHWBXSA-N 1 0 343.380 1.557 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000866822362 596365309 /nfs/dbraw/zinc/36/53/09/596365309.db2.gz FVXWLULXAXNXHC-NWDGAFQWSA-N 1 0 343.380 1.557 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000867813725 596565395 /nfs/dbraw/zinc/56/53/95/596565395.db2.gz YMTIXLLBFVGXQU-OCCSQVGLSA-N 1 0 339.417 1.618 20 5 EDBDRO O=[N+]([O-])c1cc(CO)c(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1F ZINC000865484757 596588060 /nfs/dbraw/zinc/58/80/60/596588060.db2.gz IPUSCPLUPPKLCP-NWDGAFQWSA-N 1 0 325.340 1.501 20 5 EDBDRO C[C@H](CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O)[N@H+](C)C1CC1 ZINC000863504123 596603446 /nfs/dbraw/zinc/60/34/46/596603446.db2.gz ZLOVJQYOBSHYEV-DIFFPNOSSA-N 1 0 346.387 1.845 20 5 EDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000865770458 596676633 /nfs/dbraw/zinc/67/66/33/596676633.db2.gz MAVGPGDDAJBOHM-KYTCBBFDSA-N 1 0 347.371 1.809 20 5 EDBDRO COc1cc(NC[C@@H](O)C[NH+]2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000865887991 596711179 /nfs/dbraw/zinc/71/11/79/596711179.db2.gz XIPRFJVLQVTXCJ-GFCCVEGCSA-N 1 0 339.392 1.871 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)CC[C@H]21 ZINC000866208233 596827837 /nfs/dbraw/zinc/82/78/37/596827837.db2.gz LJFNMOOSGOLKLZ-IINYFYTJSA-N 1 0 329.360 1.774 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)NCCc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000868448263 596841535 /nfs/dbraw/zinc/84/15/35/596841535.db2.gz HHWXXNYOAWEOSZ-HOCLYGCPSA-N 1 0 332.404 1.873 20 5 EDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1nnc2n1CCOC2 ZINC000866347135 596863301 /nfs/dbraw/zinc/86/33/01/596863301.db2.gz QTAYTTDBLQKXDV-JTQLQIEISA-N 1 0 335.339 1.576 20 5 EDBDRO O=C(C[NH2+][C@]12CCC[C@H]1OCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000872314509 596878904 /nfs/dbraw/zinc/87/89/04/596878904.db2.gz GXXMTGOWCBFDNN-WBVHZDCISA-N 1 0 331.372 1.785 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000872663298 597018192 /nfs/dbraw/zinc/01/81/92/597018192.db2.gz JRTLPGRSBGUZGH-ZIAGYGMSSA-N 1 0 339.417 1.760 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000872663362 597019232 /nfs/dbraw/zinc/01/92/32/597019232.db2.gz KCFHLNOOLXBIAK-UONOGXRCSA-N 1 0 325.390 1.452 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@@H]21 ZINC000872726974 597047765 /nfs/dbraw/zinc/04/77/65/597047765.db2.gz XOWRYMUVWVBLLH-ZBFHGGJFSA-N 1 0 342.403 1.837 20 5 EDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000872779056 597064168 /nfs/dbraw/zinc/06/41/68/597064168.db2.gz DKHNFKVXKNJJNB-KBPBESRZSA-N 1 0 329.360 1.917 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000873135171 597207968 /nfs/dbraw/zinc/20/79/68/597207968.db2.gz YCFFQISPUVGRKZ-LBPRGKRZSA-N 1 0 327.406 1.335 20 5 EDBDRO O=C([C@@H](F)[C@@H]1CC[NH2+]C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000876553320 597238167 /nfs/dbraw/zinc/23/81/67/597238167.db2.gz NRXAGRRQZAJORY-DOMZBBRYSA-N 1 0 336.367 1.191 20 5 EDBDRO O=C(NC[C@H]1COCC[NH2+]1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000877039819 597419482 /nfs/dbraw/zinc/41/94/82/597419482.db2.gz JZWHXXFUKWLVTO-ZDUSSCGKSA-N 1 0 348.403 1.303 20 5 EDBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877283160 597486145 /nfs/dbraw/zinc/48/61/45/597486145.db2.gz VJBRQHVOSCKWIG-HZPDHXFCSA-N 1 0 341.371 1.747 20 5 EDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000878359626 597597731 /nfs/dbraw/zinc/59/77/31/597597731.db2.gz RDYRHHZQXODMQH-NSHDSACASA-N 1 0 335.360 1.438 20 5 EDBDRO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CN1CC[NH+](C2CC2)CC1 ZINC000132910235 597910949 /nfs/dbraw/zinc/91/09/49/597910949.db2.gz BLQZFVOEAVFQAS-UHFFFAOYSA-N 1 0 345.359 1.149 20 5 EDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000883892595 597932664 /nfs/dbraw/zinc/93/26/64/597932664.db2.gz RHPQNBDMBMPZFG-CQSZACIVSA-N 1 0 347.419 1.521 20 5 EDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000884022058 597970016 /nfs/dbraw/zinc/97/00/16/597970016.db2.gz VXIVWJFYYCNUNG-LLVKDONJSA-N 1 0 335.360 1.580 20 5 EDBDRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000882769835 598051432 /nfs/dbraw/zinc/05/14/32/598051432.db2.gz NRJCEZOIVGGBMX-UHFFFAOYSA-N 1 0 339.417 1.844 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000916666332 696716309 /nfs/dbraw/zinc/71/63/09/696716309.db2.gz HYSDXSAVQXYFCM-OLZOCXBDSA-N 1 0 339.417 1.475 20 5 EDBDRO CC[NH+](CC)CCN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000915664381 695967107 /nfs/dbraw/zinc/96/71/07/695967107.db2.gz GEHQSYLSRRLLDF-MRXNPFEDSA-N 1 0 334.376 1.704 20 5 EDBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC1CC([NH+](C)C)C1 ZINC000916944374 696848501 /nfs/dbraw/zinc/84/85/01/696848501.db2.gz ZOAHAJBOQJIOQV-UHFFFAOYSA-N 1 0 331.369 1.413 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=S)NCCC[NH+](C)C ZINC000917594109 697043884 /nfs/dbraw/zinc/04/38/84/697043884.db2.gz FPXOZFFLKSZUNX-UHFFFAOYSA-N 1 0 326.422 1.519 20 5 EDBDRO CC1([NH2+]Cc2cncc(F)c2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000940107056 700218319 /nfs/dbraw/zinc/21/83/19/700218319.db2.gz FSAVWQQUSGRHLU-ZIAGYGMSSA-N 1 0 336.367 1.357 20 5 EDBDRO O=C(c1cnco1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000996852777 703131456 /nfs/dbraw/zinc/13/14/56/703131456.db2.gz QMZALWATPLGDKQ-UHFFFAOYSA-N 1 0 330.344 1.977 20 5 EDBDRO O=C(Cc1cnoc1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000996899556 703170047 /nfs/dbraw/zinc/17/00/47/703170047.db2.gz OUIDGJOLBFNEEJ-UHFFFAOYSA-N 1 0 344.371 1.906 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CC1CCN(C(=O)CC2(C)CC2)CC1 ZINC000997915118 704978720 /nfs/dbraw/zinc/97/87/20/704978720.db2.gz IWLFYZLJROVBSY-UHFFFAOYSA-N 1 0 349.435 1.847 20 5 EDBDRO CN(C)c1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001002782731 709388459 /nfs/dbraw/zinc/38/84/59/709388459.db2.gz ORIMHUVARIMHMU-IAGOWNOFSA-N 1 0 346.431 1.498 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000378538625 282214227 /nfs/dbraw/zinc/21/42/27/282214227.db2.gz MNXYMCIVNLINLE-KYOSRNDESA-N 1 0 348.403 1.501 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000366425714 282223546 /nfs/dbraw/zinc/22/35/46/282223546.db2.gz CVUNTPWJCNLTII-BYCMXARLSA-N 1 0 334.376 1.314 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000098105429 219083986 /nfs/dbraw/zinc/08/39/86/219083986.db2.gz PWRBCJRFAOVHEK-UHFFFAOYSA-N 1 0 337.424 1.831 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCSc3ccccc32)c1 ZINC000559683024 306257656 /nfs/dbraw/zinc/25/76/56/306257656.db2.gz HFGMDTUUCKHGIX-JSGCOSHPSA-N 1 0 334.401 1.979 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451145032 539399267 /nfs/dbraw/zinc/39/92/67/539399267.db2.gz LPLWZSIRVBHAPA-HIFRSBDPSA-N 1 0 348.403 1.247 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CN[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000563347912 306328779 /nfs/dbraw/zinc/32/87/79/306328779.db2.gz GDBXJMROHPEAGA-WFASDCNBSA-N 1 0 346.387 1.158 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000184423892 235394450 /nfs/dbraw/zinc/39/44/50/235394450.db2.gz UHWHGZZGKHFYNX-GFCCVEGCSA-N 1 0 348.403 1.408 20 5 EDBDRO CC[N@H+](C)Cc1cccc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000065881198 138174606 /nfs/dbraw/zinc/17/46/06/138174606.db2.gz TXFBWACIWDZABX-UHFFFAOYSA-N 1 0 331.376 1.559 20 5 EDBDRO COc1cc(OCC(=O)NC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000068846904 138196537 /nfs/dbraw/zinc/19/65/37/138196537.db2.gz ZVXMBBFEDPIPBE-UHFFFAOYSA-N 1 0 349.387 1.725 20 5 EDBDRO O=C(NCCC[NH+]1CCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000073418289 138217521 /nfs/dbraw/zinc/21/75/21/138217521.db2.gz MWQIEEZDNRCDJQ-UHFFFAOYSA-N 1 0 343.387 1.996 20 5 EDBDRO CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCCNC1=O ZINC000105613397 138301333 /nfs/dbraw/zinc/30/13/33/138301333.db2.gz DPQLERSWMQHNQU-AWEZNQCLSA-N 1 0 346.387 1.084 20 5 EDBDRO CC1CC[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000125142692 138332415 /nfs/dbraw/zinc/33/24/15/138332415.db2.gz UVJPTAIIOOJFGK-UHFFFAOYSA-N 1 0 336.392 1.937 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000132374614 138375992 /nfs/dbraw/zinc/37/59/92/138375992.db2.gz GMVNMFDKOQBLHV-UHFFFAOYSA-N 1 0 337.424 1.915 20 5 EDBDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414329880 304107231 /nfs/dbraw/zinc/10/72/31/304107231.db2.gz BQUXXORVHWCFNR-VXGBXAGGSA-N 1 0 336.392 1.815 20 5 EDBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368385892 284164896 /nfs/dbraw/zinc/16/48/96/284164896.db2.gz RSNSXIMJYYMMGB-HNNXBMFYSA-N 1 0 341.371 1.652 20 5 EDBDRO C[NH2+]CC1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000193268943 138965208 /nfs/dbraw/zinc/96/52/08/138965208.db2.gz JPJBVZQAQFMOAF-UHFFFAOYSA-N 1 0 341.433 1.832 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000193329174 138966950 /nfs/dbraw/zinc/96/69/50/138966950.db2.gz GDFGSJDQEKUORJ-LBPRGKRZSA-N 1 0 327.406 1.530 20 5 EDBDRO [NH3+]CCC1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000567175452 306440954 /nfs/dbraw/zinc/44/09/54/306440954.db2.gz KSMPQKRPTXAIQJ-UHFFFAOYSA-N 1 0 335.360 1.567 20 5 EDBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195247810 139011312 /nfs/dbraw/zinc/01/13/12/139011312.db2.gz GLFIGEKZIGSUKN-PHIMTYICSA-N 1 0 339.779 1.695 20 5 EDBDRO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000195140052 139007762 /nfs/dbraw/zinc/00/77/62/139007762.db2.gz WXIQXUUIYRBDSY-ZUZCIYMTSA-N 1 0 339.392 1.644 20 5 EDBDRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000215993702 139020484 /nfs/dbraw/zinc/02/04/84/139020484.db2.gz DRNYGMHINZYBCW-RKDXNWHRSA-N 1 0 333.797 1.606 20 5 EDBDRO COc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000237230080 139045016 /nfs/dbraw/zinc/04/50/16/139045016.db2.gz ZDHJPQMNDLMSBM-CMPLNLGQSA-N 1 0 343.405 1.399 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000128213781 205138394 /nfs/dbraw/zinc/13/83/94/205138394.db2.gz IGDCIWFHDONSEZ-LERXQTSPSA-N 1 0 334.376 1.099 20 5 EDBDRO Cc1c(C(=O)NC[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000130021372 205220343 /nfs/dbraw/zinc/22/03/43/205220343.db2.gz LBOUWSZDBWLGTL-LLVKDONJSA-N 1 0 336.348 1.849 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000237479224 139052243 /nfs/dbraw/zinc/05/22/43/139052243.db2.gz OQJPRHRRUIDWML-VHSXEESVSA-N 1 0 347.824 1.996 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000131614845 205297337 /nfs/dbraw/zinc/29/73/37/205297337.db2.gz QOMIBOCYROWOOC-MRXNPFEDSA-N 1 0 335.404 1.490 20 5 EDBDRO C[NH+](C)C[C@](C)(O)CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000132973206 205351673 /nfs/dbraw/zinc/35/16/73/205351673.db2.gz ZFHAXUZXFOGCND-MRXNPFEDSA-N 1 0 336.392 1.212 20 5 EDBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000132618183 205334726 /nfs/dbraw/zinc/33/47/26/205334726.db2.gz KYAIMNXEZTYANR-JSGCOSHPSA-N 1 0 343.387 1.958 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000237647166 139056886 /nfs/dbraw/zinc/05/68/86/139056886.db2.gz CXPHEDUEOKCBOS-UHFFFAOYSA-N 1 0 333.797 1.541 20 5 EDBDRO [NH3+]CCCOC1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237822829 139061336 /nfs/dbraw/zinc/06/13/36/139061336.db2.gz YPRVCFQMKYCBHM-QPJJXVBHSA-N 1 0 333.388 1.964 20 5 EDBDRO [NH3+]C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000237867212 139062422 /nfs/dbraw/zinc/06/24/22/139062422.db2.gz LCTMAAPSLPICJV-UHFFFAOYSA-N 1 0 342.193 1.850 20 5 EDBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159569147 206252876 /nfs/dbraw/zinc/25/28/76/206252876.db2.gz XTHDELMEKDCLAX-UHFFFAOYSA-N 1 0 335.339 1.661 20 5 EDBDRO COc1ccc(C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000246704900 139118027 /nfs/dbraw/zinc/11/80/27/139118027.db2.gz KHXGUTUHPQSNJY-RYUDHWBXSA-N 1 0 337.376 1.131 20 5 EDBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000160047284 206276470 /nfs/dbraw/zinc/27/64/70/206276470.db2.gz ZVLIKFFECLECSK-VXGBXAGGSA-N 1 0 339.396 1.185 20 5 EDBDRO CC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2C)CC[N@@H+]1C[C@H](C)O ZINC000247047680 139133162 /nfs/dbraw/zinc/13/31/62/139133162.db2.gz YICKIECXOIONKZ-JSGCOSHPSA-N 1 0 335.404 1.820 20 5 EDBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000160500725 206300780 /nfs/dbraw/zinc/30/07/80/206300780.db2.gz IKZTWANHRVKAIP-SECBINFHSA-N 1 0 328.166 1.791 20 5 EDBDRO [NH3+][C@@H]1C[C@H]2CN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000568415209 306481149 /nfs/dbraw/zinc/48/11/49/306481149.db2.gz KZHBJESFENSVDP-WCBMZHEXSA-N 1 0 345.186 1.650 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000248927210 139180952 /nfs/dbraw/zinc/18/09/52/139180952.db2.gz XIXCUWCZWPUFLW-DGCLKSJQSA-N 1 0 329.360 1.568 20 5 EDBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000253357501 139206060 /nfs/dbraw/zinc/20/60/60/139206060.db2.gz BPFZDCTZXKKHHC-OLZOCXBDSA-N 1 0 348.403 1.770 20 5 EDBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000261639996 139213470 /nfs/dbraw/zinc/21/34/70/139213470.db2.gz IHGQRJLQBHGFNC-GFCCVEGCSA-N 1 0 343.387 1.434 20 5 EDBDRO Cn1ccnc1[C@H]1C[NH2+]CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000261725233 139220849 /nfs/dbraw/zinc/22/08/49/139220849.db2.gz IUYZWQVJMJHMKW-OAHLLOKOSA-N 1 0 331.376 1.354 20 5 EDBDRO [NH3+][C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000261848987 139231183 /nfs/dbraw/zinc/23/11/83/139231183.db2.gz VCGFMUQMYFTPQJ-DLBZAZTESA-N 1 0 341.367 1.927 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000261935975 139238398 /nfs/dbraw/zinc/23/83/98/139238398.db2.gz UBQWRZYDDICDCD-UBHSHLNASA-N 1 0 339.417 1.651 20 5 EDBDRO COc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000174711400 207048728 /nfs/dbraw/zinc/04/87/28/207048728.db2.gz NNJLGDKIPJMWAA-DOTOQJQBSA-N 1 0 346.387 1.998 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000415563203 251016642 /nfs/dbraw/zinc/01/66/42/251016642.db2.gz HHWMMVFGGSGFKD-NEPJUHHUSA-N 1 0 334.376 1.346 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C(C)C ZINC000175073308 207089960 /nfs/dbraw/zinc/08/99/60/207089960.db2.gz VXESXIMRPCSQJQ-UONOGXRCSA-N 1 0 335.408 1.573 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000415573382 304228793 /nfs/dbraw/zinc/22/87/93/304228793.db2.gz CCDFLPWSJSHMAT-UBHSHLNASA-N 1 0 346.387 1.428 20 5 EDBDRO NC(=O)C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000175233721 207106859 /nfs/dbraw/zinc/10/68/59/207106859.db2.gz OJNPKVVKHABGRW-GFCCVEGCSA-N 1 0 334.376 1.511 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000262360981 139273200 /nfs/dbraw/zinc/27/32/00/139273200.db2.gz WKCVWYAUCUJYPZ-QPUJVOFHSA-N 1 0 347.824 1.914 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])c1cn(C2CC[NH2+]CC2)nn1 ZINC000262383455 139275033 /nfs/dbraw/zinc/27/50/33/139275033.db2.gz KXDOOVIOLIDCJK-UHFFFAOYSA-N 1 0 344.375 1.083 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000262394786 139275977 /nfs/dbraw/zinc/27/59/77/139275977.db2.gz BTHGQRJAQTWKNY-NEPJUHHUSA-N 1 0 325.390 1.133 20 5 EDBDRO COc1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000262498117 139282599 /nfs/dbraw/zinc/28/25/99/139282599.db2.gz LRBYAVPOUKJEPU-SNVBAGLBSA-N 1 0 329.378 1.024 20 5 EDBDRO Cc1nsc(N2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000176270945 207209829 /nfs/dbraw/zinc/20/98/29/207209829.db2.gz OIEVBAUZLSTXMO-UHFFFAOYSA-N 1 0 337.409 1.164 20 5 EDBDRO CC(C)(NC(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000418769743 251425266 /nfs/dbraw/zinc/42/52/66/251425266.db2.gz UJEMNXLHYYRGCP-AWEZNQCLSA-N 1 0 336.392 1.508 20 5 EDBDRO COC(=O)[C@@H](C)NC(=O)c1ccc(NCC[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000420154725 251620321 /nfs/dbraw/zinc/62/03/21/251620321.db2.gz JGZZZNZCLWXSHO-VHSXEESVSA-N 1 0 338.364 1.035 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000420416067 251713027 /nfs/dbraw/zinc/71/30/27/251713027.db2.gz BUTSHGGJXNURJG-QWHCGFSZSA-N 1 0 339.417 1.442 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000262763359 139301835 /nfs/dbraw/zinc/30/18/35/139301835.db2.gz KCPKLWMWHWVIFV-NWDGAFQWSA-N 1 0 327.406 1.488 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000262770301 139302430 /nfs/dbraw/zinc/30/24/30/139302430.db2.gz MCTFINLCJRPNJQ-IUCAKERBSA-N 1 0 347.368 1.161 20 5 EDBDRO C[C@H]1C[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262781187 139303122 /nfs/dbraw/zinc/30/31/22/139303122.db2.gz KZDRULMWRDFDKZ-DTWKUNHWSA-N 1 0 333.797 1.667 20 5 EDBDRO COC(=O)c1cc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc([N+](=O)[O-])c1 ZINC000422899736 252016667 /nfs/dbraw/zinc/01/66/67/252016667.db2.gz PBFMWRGRHWYBMF-CQSZACIVSA-N 1 0 337.376 1.827 20 5 EDBDRO C[C@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000423947601 252107335 /nfs/dbraw/zinc/10/73/35/252107335.db2.gz JFZOUZNMJWNRAR-ONGXEEELSA-N 1 0 327.768 1.823 20 5 EDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424315974 252196647 /nfs/dbraw/zinc/19/66/47/252196647.db2.gz CORFWZOVLPTFHD-QWHCGFSZSA-N 1 0 348.403 1.770 20 5 EDBDRO CCCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CC[NH2+]C1 ZINC000178912098 207552389 /nfs/dbraw/zinc/55/23/89/207552389.db2.gz LWQAMWBEXVBIAL-MRXNPFEDSA-N 1 0 343.387 1.995 20 5 EDBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000075890222 285164652 /nfs/dbraw/zinc/16/46/52/285164652.db2.gz RGSSDNUIUVNAPB-HNNXBMFYSA-N 1 0 335.404 1.770 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000415743643 304263562 /nfs/dbraw/zinc/26/35/62/304263562.db2.gz OLWQQAQXBYBUCN-NSHDSACASA-N 1 0 336.392 1.784 20 5 EDBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC000486945384 255020537 /nfs/dbraw/zinc/02/05/37/255020537.db2.gz PFFWTOUUELFKDE-FZMZJTMJSA-N 1 0 341.433 1.897 20 5 EDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492340530 255171500 /nfs/dbraw/zinc/17/15/00/255171500.db2.gz KOOXDAMSOROAST-FJVVXJACSA-N 1 0 335.404 1.817 20 5 EDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCC1(N2CCOCC2)CC1 ZINC000493632136 255217222 /nfs/dbraw/zinc/21/72/22/255217222.db2.gz VHDIXUSKWJXELJ-DUXPYHPUSA-N 1 0 349.362 1.728 20 5 EDBDRO CC[C@]1(O)CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000495225769 255274108 /nfs/dbraw/zinc/27/41/08/255274108.db2.gz ATIJLDCRBZWDHD-INIZCTEOSA-N 1 0 335.360 1.740 20 5 EDBDRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000118114852 221119740 /nfs/dbraw/zinc/11/97/40/221119740.db2.gz MCNXUTSHGZJUKB-UHFFFAOYSA-N 1 0 336.392 1.690 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000264173093 139384478 /nfs/dbraw/zinc/38/44/78/139384478.db2.gz CPLMMUUTMMWWHD-GFCCVEGCSA-N 1 0 349.387 1.795 20 5 EDBDRO C[C@H](O)C[NH+]1CCC(CN(C)c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000264357784 139399939 /nfs/dbraw/zinc/39/99/39/139399939.db2.gz UOEBSZJQZVSCKO-NSHDSACASA-N 1 0 349.391 1.660 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000347369084 533407256 /nfs/dbraw/zinc/40/72/56/533407256.db2.gz HJSZNGATQDKYBO-FMIVXFBMSA-N 1 0 339.417 1.751 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](Oc2ccccn2)C1 ZINC000270587224 140129518 /nfs/dbraw/zinc/12/95/18/140129518.db2.gz SFMPFOONMIEHEX-CQSZACIVSA-N 1 0 330.344 1.305 20 5 EDBDRO CS[C@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C[C@@H]1[NH+](C)C ZINC000270764462 140164418 /nfs/dbraw/zinc/16/44/18/140164418.db2.gz PLUSIYQHCCRPDN-STQMWFEESA-N 1 0 338.433 1.603 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000370672012 296504760 /nfs/dbraw/zinc/50/47/60/296504760.db2.gz APHSJIUMDCQUTG-ZJUUUORDSA-N 1 0 345.808 1.478 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000366330784 296504861 /nfs/dbraw/zinc/50/48/61/296504861.db2.gz MLEGDFYEAWCRPL-MWLCHTKSSA-N 1 0 345.808 1.621 20 5 EDBDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000271188658 140253500 /nfs/dbraw/zinc/25/35/00/140253500.db2.gz OLIHKACYPDDFFM-MRXNPFEDSA-N 1 0 338.360 1.997 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)cc([N+](=O)[O-])c1F ZINC000271517840 140306046 /nfs/dbraw/zinc/30/60/46/140306046.db2.gz ZOYSOUCPPLEDHI-GWCFXTLKSA-N 1 0 345.396 1.613 20 5 EDBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(F)cccc1F ZINC000271836058 140358824 /nfs/dbraw/zinc/35/88/24/140358824.db2.gz XRLQNELEIAERFU-ONGXEEELSA-N 1 0 326.303 1.781 20 5 EDBDRO Cc1c(C(=O)NCC2=CC[N@H+](C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000271927649 140374104 /nfs/dbraw/zinc/37/41/04/140374104.db2.gz LSBUHSOOPSZLND-UHFFFAOYSA-N 1 0 334.332 1.803 20 5 EDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2(CO)CCOCC2)n1 ZINC000332050900 141115210 /nfs/dbraw/zinc/11/52/10/141115210.db2.gz MWMYGXVFLKTFBR-KBPBESRZSA-N 1 0 338.408 1.654 20 5 EDBDRO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000332218470 141142178 /nfs/dbraw/zinc/14/21/78/141142178.db2.gz IKSAEJAXFRLFBB-GFCCVEGCSA-N 1 0 347.419 1.748 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc([N+](=O)[O-])c1 ZINC000332239086 141145316 /nfs/dbraw/zinc/14/53/16/141145316.db2.gz IDVLEPQRVKPXFN-GJZGRUSLSA-N 1 0 347.371 1.738 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(CCOc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000339393592 142035535 /nfs/dbraw/zinc/03/55/35/142035535.db2.gz KLWPYFRUMTVENE-NVXWUHKLSA-N 1 0 335.404 1.769 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](C3CC3)[C@@]3(CO)CCCO3)nc2c1 ZINC000339756681 142146536 /nfs/dbraw/zinc/14/65/36/142146536.db2.gz DMRRUVIOWZSBHZ-IRXDYDNUSA-N 1 0 346.387 1.881 20 5 EDBDRO C[C@H]1[C@@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCC[N@@H+]1C ZINC000344989096 143035957 /nfs/dbraw/zinc/03/59/57/143035957.db2.gz VULPHMQLJRGZNF-LRDDRELGSA-N 1 0 348.403 1.850 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC[N@@H+]1C ZINC000345126491 143053920 /nfs/dbraw/zinc/05/39/20/143053920.db2.gz HJERHBXGJMXBIH-QWHCGFSZSA-N 1 0 348.403 1.850 20 5 EDBDRO C[C@H](C[NH+](C)C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000346136798 143171291 /nfs/dbraw/zinc/17/12/91/143171291.db2.gz LNCKCKYGSORZMH-LLVKDONJSA-N 1 0 331.376 1.675 20 5 EDBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000346469359 143208178 /nfs/dbraw/zinc/20/81/78/143208178.db2.gz BBOMJIRLTCGXHG-FZMZJTMJSA-N 1 0 343.405 1.030 20 5 EDBDRO CC[C@H](C)[N@H+](CCO)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000347467869 143325235 /nfs/dbraw/zinc/32/52/35/143325235.db2.gz FMHPOCBHOSMIMY-LBPRGKRZSA-N 1 0 337.376 1.986 20 5 EDBDRO CCCN(CCC[NH+](C)C)C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000347973378 143385783 /nfs/dbraw/zinc/38/57/83/143385783.db2.gz ZXADOGDJSHDWAO-UHFFFAOYSA-N 1 0 325.413 1.680 20 5 EDBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000352869816 149196046 /nfs/dbraw/zinc/19/60/46/149196046.db2.gz ZBPURGACNLVMQO-UHFFFAOYSA-N 1 0 326.401 1.013 20 5 EDBDRO CN(C[C@H]1CC[N@H+](C)[C@@H]1c1cccnc1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354974871 150061545 /nfs/dbraw/zinc/06/15/45/150061545.db2.gz OFNZOLBBJSNSJB-IUODEOHRSA-N 1 0 344.375 1.478 20 5 EDBDRO COCC[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000355110899 150120642 /nfs/dbraw/zinc/12/06/42/150120642.db2.gz WVKDLTUQSGFYBG-UHFFFAOYSA-N 1 0 337.376 1.398 20 5 EDBDRO C[NH+]1CCC(CCO)(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000357528985 151057942 /nfs/dbraw/zinc/05/79/42/151057942.db2.gz XUJGLNNESARMRH-UHFFFAOYSA-N 1 0 335.404 1.490 20 5 EDBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000358076156 151261282 /nfs/dbraw/zinc/26/12/82/151261282.db2.gz VBAKUZBOCYTZEG-QGZVFWFLSA-N 1 0 335.404 1.689 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358382540 151356612 /nfs/dbraw/zinc/35/66/12/151356612.db2.gz IVHDGRKNSXYEFI-UHFFFAOYSA-N 1 0 346.387 1.610 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NCCC[NH+]1CCC(O)CC1 ZINC000358427184 151371486 /nfs/dbraw/zinc/37/14/86/151371486.db2.gz VHKAXEXJPQKUHW-UHFFFAOYSA-N 1 0 339.367 1.239 20 5 EDBDRO CC[NH2+][C@H](C)CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000358934584 151547977 /nfs/dbraw/zinc/54/79/77/151547977.db2.gz KIFXVCJWWBGTQV-LLVKDONJSA-N 1 0 331.376 1.723 20 5 EDBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000360334854 151998705 /nfs/dbraw/zinc/99/87/05/151998705.db2.gz LBBZNYFZPIVWPO-QWHCGFSZSA-N 1 0 325.413 1.877 20 5 EDBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000360997972 152274399 /nfs/dbraw/zinc/27/43/99/152274399.db2.gz YJKQPXXWXUMBPT-AWEZNQCLSA-N 1 0 333.388 1.956 20 5 EDBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000361210671 152336157 /nfs/dbraw/zinc/33/61/57/152336157.db2.gz LTPDIGKZUMUVKM-DOTOQJQBSA-N 1 0 348.447 1.526 20 5 EDBDRO CCOC(=O)c1cc(N2CCN3CCOC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000363774016 153053626 /nfs/dbraw/zinc/05/36/26/153053626.db2.gz GCSFYNYTQQXPDU-ZDUSSCGKSA-N 1 0 335.360 1.292 20 5 EDBDRO O=C(NC1CCN(c2ccccn2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000363865228 153078406 /nfs/dbraw/zinc/07/84/06/153078406.db2.gz YCCOZJSHJGHHMP-UHFFFAOYSA-N 1 0 327.344 1.784 20 5 EDBDRO Cc1nn(C)c(C(=O)N2C[C@@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000364302697 153200629 /nfs/dbraw/zinc/20/06/29/153200629.db2.gz IAZSEEUQPAOGPQ-CHWSQXEVSA-N 1 0 347.350 1.343 20 5 EDBDRO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000364342197 153210040 /nfs/dbraw/zinc/21/00/40/153210040.db2.gz IEUQBKDJRRARGE-GJZGRUSLSA-N 1 0 335.408 1.657 20 5 EDBDRO COc1ccc(CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000417197752 304383842 /nfs/dbraw/zinc/38/38/42/304383842.db2.gz QHPBWGVUXUQHDZ-CHWSQXEVSA-N 1 0 334.376 1.354 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000364639542 153291375 /nfs/dbraw/zinc/29/13/75/153291375.db2.gz CGELELZJJKXYSG-MCIONIFRSA-N 1 0 335.429 1.884 20 5 EDBDRO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000364959363 153383934 /nfs/dbraw/zinc/38/39/34/153383934.db2.gz ZGCXDCJGKDONTO-KCXAZCMYSA-N 1 0 333.388 1.950 20 5 EDBDRO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000367137926 154020014 /nfs/dbraw/zinc/02/00/14/154020014.db2.gz DRWDWZVEUNQOCN-HZPDHXFCSA-N 1 0 348.403 1.232 20 5 EDBDRO O=C([C@@H]1CC12CC[NH+](CCn1cc([N+](=O)[O-])cn1)CC2)N1CCCC1 ZINC000367391220 154101186 /nfs/dbraw/zinc/10/11/86/154101186.db2.gz ZXOHLZHHGUNPMP-HNNXBMFYSA-N 1 0 347.419 1.516 20 5 EDBDRO O=C([C@H]1CC12CC[NH+](CCn1cc([N+](=O)[O-])cn1)CC2)N1CCCC1 ZINC000367391221 154101880 /nfs/dbraw/zinc/10/18/80/154101880.db2.gz ZXOHLZHHGUNPMP-OAHLLOKOSA-N 1 0 347.419 1.516 20 5 EDBDRO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000367696587 154234127 /nfs/dbraw/zinc/23/41/27/154234127.db2.gz IBNDQNLVASPLLN-JONQDZQNSA-N 1 0 328.372 1.900 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc([N+](=O)[O-])c1F ZINC000368636930 154650029 /nfs/dbraw/zinc/65/00/29/154650029.db2.gz JDYFVLIDPGAVIA-CMPLNLGQSA-N 1 0 343.380 1.415 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](CCN3CCOCC3)C2)n1 ZINC000371979127 156193826 /nfs/dbraw/zinc/19/38/26/156193826.db2.gz PKLAXDVSUPXFGV-AWEZNQCLSA-N 1 0 335.408 1.117 20 5 EDBDRO Cc1cc(N2CC[N@@H+](C[C@@H]3CN(C)CCO3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000374153086 157167769 /nfs/dbraw/zinc/16/77/69/157167769.db2.gz FBNUACZZZQVPKS-WBVHZDCISA-N 1 0 348.447 1.744 20 5 EDBDRO COc1cc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c([N+](=O)[O-])cc1O ZINC000374272848 157223015 /nfs/dbraw/zinc/22/30/15/157223015.db2.gz RMJBPQJHYKDIIX-LRDDRELGSA-N 1 0 338.360 1.737 20 5 EDBDRO COc1ccc2c(c1)CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000374369902 157262609 /nfs/dbraw/zinc/26/26/09/157262609.db2.gz ZLCVFHLPDMZKRA-MRXNPFEDSA-N 1 0 346.387 1.262 20 5 EDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000374684894 157365848 /nfs/dbraw/zinc/36/58/48/157365848.db2.gz BLQPFXPKAPBDNY-KRWDZBQOSA-N 1 0 347.415 1.849 20 5 EDBDRO CCOc1ccc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000375959966 157700275 /nfs/dbraw/zinc/70/02/75/157700275.db2.gz VTLJOIRWDHAMAK-AWEZNQCLSA-N 1 0 348.403 1.113 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000378538933 158203605 /nfs/dbraw/zinc/20/36/05/158203605.db2.gz HVPZGDCCBHQKPJ-SCRDCRAPSA-N 1 0 330.388 1.733 20 5 EDBDRO CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H]1C[NH+]2CCC1CC2 ZINC000352432016 162179429 /nfs/dbraw/zinc/17/94/29/162179429.db2.gz QAZQCGGCRPVGCG-CYBMUJFWSA-N 1 0 333.344 1.490 20 5 EDBDRO COCC[N@H+](C)CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353496979 162262769 /nfs/dbraw/zinc/26/27/69/162262769.db2.gz MYGXKPOTPHXXSF-INIZCTEOSA-N 1 0 347.419 1.586 20 5 EDBDRO Nc1c(C(=O)N2CCCC3(CC[NH2+]CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000364586135 162337034 /nfs/dbraw/zinc/33/70/34/162337034.db2.gz LJJOVMIIFYGTIE-UHFFFAOYSA-N 1 0 336.367 1.922 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000075831702 287278997 /nfs/dbraw/zinc/27/89/97/287278997.db2.gz QBKDXVSJFHBXKG-HOTGVXAUSA-N 1 0 338.408 1.576 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCN1CCCC1=O ZINC000112703711 287341049 /nfs/dbraw/zinc/34/10/49/287341049.db2.gz GCZHECWLDQNIQU-UHFFFAOYSA-N 1 0 348.403 1.786 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000120598029 221624206 /nfs/dbraw/zinc/62/42/06/221624206.db2.gz KHOYCBSJPZFYRJ-UHFFFAOYSA-N 1 0 346.387 1.620 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000262592526 273017663 /nfs/dbraw/zinc/01/76/63/273017663.db2.gz SBCMVSSBMPMNJK-ONGXEEELSA-N 1 0 327.768 1.884 20 5 EDBDRO O=[N+]([O-])c1cnc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)nc1 ZINC000273904318 268091569 /nfs/dbraw/zinc/09/15/69/268091569.db2.gz IDBJJLSLEMCTFH-HNNXBMFYSA-N 1 0 329.360 1.564 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H](C)CO ZINC000274035452 268100808 /nfs/dbraw/zinc/10/08/08/268100808.db2.gz OAPJZGOQKWIPKG-MXWKQRLJSA-N 1 0 325.365 1.537 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCOCC12CCCC2 ZINC000273155956 273030340 /nfs/dbraw/zinc/03/03/40/273030340.db2.gz MTVTWGWCVOVOGK-AWEZNQCLSA-N 1 0 336.388 1.980 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000273543116 273043031 /nfs/dbraw/zinc/04/30/31/273043031.db2.gz UAUALIOQOVMVQV-ISBHARSQSA-N 1 0 332.404 1.360 20 5 EDBDRO C[NH+](C)CCOc1ccc(CCNc2ncc([N+](=O)[O-])cn2)cc1 ZINC000273639274 273047888 /nfs/dbraw/zinc/04/78/88/273047888.db2.gz RTBCYGQAHDIPFL-UHFFFAOYSA-N 1 0 331.376 1.980 20 5 EDBDRO C[C@H](O)CN1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)CC1 ZINC000275112636 273101020 /nfs/dbraw/zinc/10/10/20/273101020.db2.gz DEVRDTDKZUUOFQ-NSHDSACASA-N 1 0 332.360 1.215 20 5 EDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000275768956 273126890 /nfs/dbraw/zinc/12/68/90/273126890.db2.gz GTQDWEKZCKRYIJ-JTQLQIEISA-N 1 0 339.421 1.585 20 5 EDBDRO O=[N+]([O-])c1cnn(CCN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000280538225 273368528 /nfs/dbraw/zinc/36/85/28/273368528.db2.gz SVXZWRCQFZQZCY-CALCHBBNSA-N 1 0 341.415 1.855 20 5 EDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280569763 273372402 /nfs/dbraw/zinc/37/24/02/273372402.db2.gz MHQGNHYZEKABME-OKILXGFUSA-N 1 0 341.371 1.522 20 5 EDBDRO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000282589855 273683912 /nfs/dbraw/zinc/68/39/12/273683912.db2.gz XEQGGBKETFBAIU-UHFFFAOYSA-N 1 0 328.376 1.675 20 5 EDBDRO CC(C)[NH+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC000283504112 273874398 /nfs/dbraw/zinc/87/43/98/273874398.db2.gz MIQFZWBGEIOYCU-UHFFFAOYSA-N 1 0 330.392 1.921 20 5 EDBDRO COC[C@@]1(CNc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CCC[NH2+]1 ZINC000420248094 274047228 /nfs/dbraw/zinc/04/72/28/274047228.db2.gz HTTCCPMLRGTZJL-INIZCTEOSA-N 1 0 337.376 1.870 20 5 EDBDRO CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000347938922 274069638 /nfs/dbraw/zinc/06/96/38/274069638.db2.gz VHEMGOKLTDDHIS-QWHCGFSZSA-N 1 0 346.391 1.327 20 5 EDBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[N@H+](CCO)C[C@H]1C ZINC000450957231 274140305 /nfs/dbraw/zinc/14/03/05/274140305.db2.gz UADPKSGAQCQUGU-GFCCVEGCSA-N 1 0 346.387 1.654 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000153894654 275033484 /nfs/dbraw/zinc/03/34/84/275033484.db2.gz NAMKBWDYABKEQV-UHFFFAOYSA-N 1 0 326.784 1.944 20 5 EDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c(Br)c1 ZINC000261622583 275041313 /nfs/dbraw/zinc/04/13/13/275041313.db2.gz UXXPLXIQAWAXCA-KWQFWETISA-N 1 0 327.182 1.941 20 5 EDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000153108637 277125354 /nfs/dbraw/zinc/12/53/54/277125354.db2.gz LQUYZUQIGVWDFR-WDEREUQCSA-N 1 0 343.181 1.272 20 5 EDBDRO CNC(=O)c1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000268897392 277259159 /nfs/dbraw/zinc/25/91/59/277259159.db2.gz ZECSHCUGKLJLTP-KBPBESRZSA-N 1 0 332.404 1.875 20 5 EDBDRO CS(=O)(=O)c1ccc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000262410878 278119875 /nfs/dbraw/zinc/11/98/75/278119875.db2.gz DDDQWVOPJKTUKO-GHMZBOCLSA-N 1 0 325.390 1.044 20 5 EDBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000186671537 279304322 /nfs/dbraw/zinc/30/43/22/279304322.db2.gz NJPWACXXPIBZMG-CYBMUJFWSA-N 1 0 348.403 1.914 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000447245730 280655982 /nfs/dbraw/zinc/65/59/82/280655982.db2.gz NPEQWULIMKIOTQ-NEPJUHHUSA-N 1 0 327.406 1.569 20 5 EDBDRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000289032563 288616524 /nfs/dbraw/zinc/61/65/24/288616524.db2.gz MXIZFHAARAJKCQ-UHFFFAOYSA-N 1 0 348.403 1.868 20 5 EDBDRO Cc1nn(CCC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c(C)c1[N+](=O)[O-] ZINC000289294022 288667954 /nfs/dbraw/zinc/66/79/54/288667954.db2.gz RJKMGCWMLZMBGA-HDJSIYSDSA-N 1 0 337.424 1.680 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000290406619 288894137 /nfs/dbraw/zinc/89/41/37/288894137.db2.gz MIZACLOEUBSMGW-ZWNOBZJWSA-N 1 0 333.344 1.063 20 5 EDBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)C1 ZINC000291626163 289130274 /nfs/dbraw/zinc/13/02/74/289130274.db2.gz BDZDATVBPGREMV-OAHLLOKOSA-N 1 0 339.417 1.530 20 5 EDBDRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000420430583 304757274 /nfs/dbraw/zinc/75/72/74/304757274.db2.gz NEJDEUIXGPRNBW-AWEZNQCLSA-N 1 0 341.433 1.528 20 5 EDBDRO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000420473810 304763047 /nfs/dbraw/zinc/76/30/47/304763047.db2.gz VAYQBNOYXNQVRB-GHMZBOCLSA-N 1 0 343.405 1.399 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000055265486 301864632 /nfs/dbraw/zinc/86/46/32/301864632.db2.gz UPCHLTXQJILJRD-GFCCVEGCSA-N 1 0 341.433 1.913 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(OC)c3)[C@H]2C1 ZINC000293983108 303047358 /nfs/dbraw/zinc/04/73/58/303047358.db2.gz VRCFFRWOXCLXHV-LSDHHAIUSA-N 1 0 349.387 1.539 20 5 EDBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000294767524 303144914 /nfs/dbraw/zinc/14/49/14/303144914.db2.gz FRRAOQJXDJAPSP-GFCCVEGCSA-N 1 0 344.375 1.438 20 5 EDBDRO C[C@@H]1CSC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000296349961 303312566 /nfs/dbraw/zinc/31/25/66/303312566.db2.gz IYIKFXBJOVRYEC-ZWNOBZJWSA-N 1 0 345.446 1.214 20 5 EDBDRO COC[C@]1(C)CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000296669144 303329749 /nfs/dbraw/zinc/32/97/49/303329749.db2.gz KOQUDEOOUVBFDC-MRXNPFEDSA-N 1 0 337.376 1.900 20 5 EDBDRO CC(C)C[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000298210953 303505624 /nfs/dbraw/zinc/50/56/24/303505624.db2.gz UJMKHZXDSCDKNZ-UHFFFAOYSA-N 1 0 342.421 1.020 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000303370060 303745167 /nfs/dbraw/zinc/74/51/67/303745167.db2.gz JYRSQVQTWXOLLT-CVEARBPZSA-N 1 0 335.404 1.505 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000423645892 304903077 /nfs/dbraw/zinc/90/30/77/304903077.db2.gz LGRCSWUOONWVMY-CYBMUJFWSA-N 1 0 348.403 1.113 20 5 EDBDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000423825981 304910687 /nfs/dbraw/zinc/91/06/87/304910687.db2.gz LSZLIXCFDSVCOH-HIFRSBDPSA-N 1 0 335.408 1.589 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428044902 305005374 /nfs/dbraw/zinc/00/53/74/305005374.db2.gz NXUUOYOREMKCAJ-BBRMVZONSA-N 1 0 332.404 1.916 20 5 EDBDRO C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000428970811 305021276 /nfs/dbraw/zinc/02/12/76/305021276.db2.gz ZIJMCZNHIBKMAL-QWHCGFSZSA-N 1 0 343.387 1.898 20 5 EDBDRO C[C@@H]1CCCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000429192010 305025464 /nfs/dbraw/zinc/02/54/64/305025464.db2.gz GJWMXWOVXAXUEI-DOMZBBRYSA-N 1 0 348.403 1.301 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CO)CC(F)F ZINC000429463981 305030390 /nfs/dbraw/zinc/03/03/90/305030390.db2.gz UYLHBJGEZLWKCI-KOLCDFICSA-N 1 0 331.319 1.918 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000429467640 305030398 /nfs/dbraw/zinc/03/03/98/305030398.db2.gz ARMKTJPDBPFOMK-LLVKDONJSA-N 1 0 331.376 1.826 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430585632 305057121 /nfs/dbraw/zinc/05/71/21/305057121.db2.gz STTLGACXOJQOAH-NWDGAFQWSA-N 1 0 336.392 1.601 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2C[C@@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430927870 305068720 /nfs/dbraw/zinc/06/87/20/305068720.db2.gz JPRBTJOXGCJYRT-TUAOUCFPSA-N 1 0 336.392 1.613 20 5 EDBDRO COC[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H]1CCCO1 ZINC000432622533 305095276 /nfs/dbraw/zinc/09/52/76/305095276.db2.gz NQTWOPSREMDEEJ-OWCLPIDISA-N 1 0 349.387 1.484 20 5 EDBDRO [NH3+]C[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000435389053 305139727 /nfs/dbraw/zinc/13/97/27/305139727.db2.gz KNPKHORDQJKACX-AWEZNQCLSA-N 1 0 334.401 1.878 20 5 EDBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000436064801 305151986 /nfs/dbraw/zinc/15/19/86/305151986.db2.gz NUSRUBJTUJMREJ-GFCCVEGCSA-N 1 0 338.383 1.553 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC[C@H]2CCOC2)cc1 ZINC000437958537 305179511 /nfs/dbraw/zinc/17/95/11/305179511.db2.gz FLPHOAOHGLMRGJ-LBPRGKRZSA-N 1 0 328.390 1.385 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000440429709 305206497 /nfs/dbraw/zinc/20/64/97/305206497.db2.gz CSBRNHLOTQAKDC-CYBMUJFWSA-N 1 0 339.417 1.727 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCN2CCOCC2)n1 ZINC000447513047 305280913 /nfs/dbraw/zinc/28/09/13/305280913.db2.gz SHNZZIBEBUVTSO-HUUCEWRRSA-N 1 0 337.424 1.587 20 5 EDBDRO CC(C)COC[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447543325 305281726 /nfs/dbraw/zinc/28/17/26/305281726.db2.gz RWZQSZHJRVARFN-ILXRZTDVSA-N 1 0 340.424 1.898 20 5 EDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000449585934 305314763 /nfs/dbraw/zinc/31/47/63/305314763.db2.gz GXWKRUFNTSCBAH-GUBZILKMSA-N 1 0 340.405 1.113 20 5 EDBDRO Cc1cc(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc([N+](=O)[O-])c1 ZINC000449689998 305317068 /nfs/dbraw/zinc/31/70/68/305317068.db2.gz MQRJUEYDNXIZMB-CQSZACIVSA-N 1 0 333.388 1.731 20 5 EDBDRO C[NH+](C)CCOCCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450432987 305329711 /nfs/dbraw/zinc/32/97/11/305329711.db2.gz CHTSIBXUGUGPBU-UHFFFAOYSA-N 1 0 347.375 1.089 20 5 EDBDRO O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CCCC[N@H+]3CCO)cc2N1 ZINC000450609724 305330880 /nfs/dbraw/zinc/33/08/80/305330880.db2.gz GCPKISJZAFIOAA-ZDUSSCGKSA-N 1 0 348.403 1.738 20 5 EDBDRO CCOC(=O)[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC12COC2 ZINC000451134251 305332014 /nfs/dbraw/zinc/33/20/14/305332014.db2.gz KPEIHLKPMCHUOY-OAHLLOKOSA-N 1 0 334.372 1.649 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452064316 305381664 /nfs/dbraw/zinc/38/16/64/305381664.db2.gz FEKFKHJOFDSATB-YPMHNXCESA-N 1 0 337.376 1.635 20 5 EDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@H+]1CCCO ZINC000452368224 305393574 /nfs/dbraw/zinc/39/35/74/305393574.db2.gz QNTUCWZJZJSAMS-MRXNPFEDSA-N 1 0 335.404 1.490 20 5 EDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000535020982 306010933 /nfs/dbraw/zinc/01/09/33/306010933.db2.gz YKISFBCCMXQPBQ-DZGCQCFKSA-N 1 0 349.435 1.031 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000548697568 306135406 /nfs/dbraw/zinc/13/54/06/306135406.db2.gz SBQSZSSBQVLVGG-GFCCVEGCSA-N 1 0 341.433 1.920 20 5 EDBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000549157629 306145042 /nfs/dbraw/zinc/14/50/42/306145042.db2.gz GCDYIDHMNDTNSL-YPMHNXCESA-N 1 0 329.360 1.883 20 5 EDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COC[C@@H]1CCCO1 ZINC000554835322 306198415 /nfs/dbraw/zinc/19/84/15/306198415.db2.gz SHGGVTULCONOFZ-IRXDYDNUSA-N 1 0 338.404 1.626 20 5 EDBDRO COC(=O)COc1ccc(CN[C@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000414961752 447375498 /nfs/dbraw/zinc/37/54/98/447375498.db2.gz WCPWBYBWVHMSED-YPMHNXCESA-N 1 0 337.376 1.377 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC[N@@H+]1C ZINC000449939783 447416675 /nfs/dbraw/zinc/41/66/75/447416675.db2.gz KDJFDNBMVPDNEY-GXTWGEPZSA-N 1 0 343.387 1.993 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046036540 441072111 /nfs/dbraw/zinc/07/21/11/441072111.db2.gz IYCJKDSZAJMCAF-ZIAGYGMSSA-N 1 0 339.417 1.808 20 5 EDBDRO C[NH+](C)CC(C)(C)CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000008178199 441085514 /nfs/dbraw/zinc/08/55/14/441085514.db2.gz WYABHDAOUSNKNY-UHFFFAOYSA-N 1 0 329.422 1.998 20 5 EDBDRO COC1CC[NH+](CCNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000080103393 441141543 /nfs/dbraw/zinc/14/15/43/441141543.db2.gz PGFDHVGRKKYONO-UHFFFAOYSA-N 1 0 336.392 1.505 20 5 EDBDRO C[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C2(CCCCC2)C1 ZINC000080940472 441210137 /nfs/dbraw/zinc/21/01/37/441210137.db2.gz PDQIGPVUHYNZAC-UHFFFAOYSA-N 1 0 348.403 1.233 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000047671726 441218567 /nfs/dbraw/zinc/21/85/67/441218567.db2.gz BIVKQBHOSQPSOF-SNVBAGLBSA-N 1 0 333.385 1.743 20 5 EDBDRO CC[NH+]1CCC(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000018057006 441246898 /nfs/dbraw/zinc/24/68/98/441246898.db2.gz XPGPLFPQSLPROG-UHFFFAOYSA-N 1 0 328.394 1.138 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])C[C@H]1C ZINC000105790545 441270458 /nfs/dbraw/zinc/27/04/58/441270458.db2.gz LCVNJSNFHZWINJ-NXEZZACHSA-N 1 0 325.394 1.195 20 5 EDBDRO COCC[NH+](CCOC)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000063483040 441331887 /nfs/dbraw/zinc/33/18/87/441331887.db2.gz LLUNXFCYUUYOCB-UHFFFAOYSA-N 1 0 339.392 1.827 20 5 EDBDRO CC(C)(O)C[NH+]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000106400287 441339899 /nfs/dbraw/zinc/33/98/99/441339899.db2.gz FHYSNBYVTOFZTI-BQYQJAHWSA-N 1 0 333.388 1.523 20 5 EDBDRO CN(C)CC[NH+]1CCC(CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000074138443 441399665 /nfs/dbraw/zinc/39/96/65/441399665.db2.gz PSUVTKBZDCUXFE-UHFFFAOYSA-N 1 0 348.447 1.527 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108561074 441464676 /nfs/dbraw/zinc/46/46/76/441464676.db2.gz ZBLMWHHPNXNWNQ-LBPRGKRZSA-N 1 0 336.392 1.744 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108561071 441465128 /nfs/dbraw/zinc/46/51/28/441465128.db2.gz ZBLMWHHPNXNWNQ-GFCCVEGCSA-N 1 0 336.392 1.744 20 5 EDBDRO CC[N@@H+]1CCC[C@H](Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000112075867 441544656 /nfs/dbraw/zinc/54/46/56/441544656.db2.gz LZQURHMURLZHGT-JTQLQIEISA-N 1 0 328.394 1.138 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000066105732 441504810 /nfs/dbraw/zinc/50/48/10/441504810.db2.gz CHGVXNIQSKLQHP-ZDUSSCGKSA-N 1 0 339.417 1.762 20 5 EDBDRO COC[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000112987191 441575191 /nfs/dbraw/zinc/57/51/91/441575191.db2.gz HZUKHRRUNRKNHB-CYBMUJFWSA-N 1 0 333.388 1.842 20 5 EDBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCC(CO)CC1 ZINC000089924753 441595672 /nfs/dbraw/zinc/59/56/72/441595672.db2.gz IWJTXTCHBZCDRU-UHFFFAOYSA-N 1 0 347.415 1.967 20 5 EDBDRO COc1ccc(CC(=O)N2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000067901635 441694512 /nfs/dbraw/zinc/69/45/12/441694512.db2.gz RZWHPPMLESUIDQ-UHFFFAOYSA-N 1 0 335.404 1.946 20 5 EDBDRO CNS(=O)(=O)c1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000067711371 441671251 /nfs/dbraw/zinc/67/12/51/441671251.db2.gz XIJYMYJXCMWXFY-JTQLQIEISA-N 1 0 340.405 1.152 20 5 EDBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@H](C)C1 ZINC000115521113 441751756 /nfs/dbraw/zinc/75/17/56/441751756.db2.gz CGHHFDAJOMXBQT-NEPJUHHUSA-N 1 0 338.412 1.516 20 5 EDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000137591782 441774141 /nfs/dbraw/zinc/77/41/41/441774141.db2.gz IXWOEEARGZAJRF-ZDUSSCGKSA-N 1 0 343.387 1.852 20 5 EDBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000122447433 441850368 /nfs/dbraw/zinc/85/03/68/441850368.db2.gz FHIHPJZMRYZAFA-HNNXBMFYSA-N 1 0 348.447 1.527 20 5 EDBDRO COCC[NH+]1CCC(NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000141506924 441852390 /nfs/dbraw/zinc/85/23/90/441852390.db2.gz JOIIUVJHUUROEI-UHFFFAOYSA-N 1 0 337.376 1.201 20 5 EDBDRO CC[NH+]1CCC(CCNC(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000174111156 441888778 /nfs/dbraw/zinc/88/87/78/441888778.db2.gz LUNLFBDFYOZLRR-UHFFFAOYSA-N 1 0 337.424 1.728 20 5 EDBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC000125037966 441976996 /nfs/dbraw/zinc/97/69/96/441976996.db2.gz XHCPBWPRMIOVSO-GFCCVEGCSA-N 1 0 329.422 1.953 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000119346279 441930027 /nfs/dbraw/zinc/93/00/27/441930027.db2.gz WMEPAYOLSQTVOS-UONOGXRCSA-N 1 0 335.408 1.433 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000160896783 441933294 /nfs/dbraw/zinc/93/32/94/441933294.db2.gz XKMVMQDJMUXTDZ-CQSZACIVSA-N 1 0 329.360 1.457 20 5 EDBDRO COCC[NH2+]CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160920703 441936454 /nfs/dbraw/zinc/93/64/54/441936454.db2.gz DQEVEYKTICOQTR-UHFFFAOYSA-N 1 0 337.376 1.201 20 5 EDBDRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])o1 ZINC000119809275 441955790 /nfs/dbraw/zinc/95/57/90/441955790.db2.gz ILTSMAOBMGHZQC-CQSZACIVSA-N 1 0 345.355 1.337 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000069527250 441963240 /nfs/dbraw/zinc/96/32/40/441963240.db2.gz KGNYKFFAKWRMNB-ZDUSSCGKSA-N 1 0 337.376 1.444 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000126312481 442098839 /nfs/dbraw/zinc/09/88/39/442098839.db2.gz JZTDARFGRYYKPC-TZMCWYRMSA-N 1 0 343.387 1.721 20 5 EDBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000163588221 442174633 /nfs/dbraw/zinc/17/46/33/442174633.db2.gz LJXJMTPNHFPUJV-TXEJJXNPSA-N 1 0 337.424 1.815 20 5 EDBDRO O=C1C[C@H](c2ccccc2)[N@H+](CCn2ccc([N+](=O)[O-])n2)CCN1 ZINC000176214607 442193591 /nfs/dbraw/zinc/19/35/91/442193591.db2.gz HKMAWNYTXDLTFJ-CQSZACIVSA-N 1 0 329.360 1.355 20 5 EDBDRO CNC(=O)CN1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000151988995 442150624 /nfs/dbraw/zinc/15/06/24/442150624.db2.gz IBAFEZHJCBNNAI-ZDUSSCGKSA-N 1 0 334.420 1.764 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000121376770 442209679 /nfs/dbraw/zinc/20/96/79/442209679.db2.gz JLLKLDLUABYXSL-HNNXBMFYSA-N 1 0 348.403 1.640 20 5 EDBDRO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000152863005 442248759 /nfs/dbraw/zinc/24/87/59/442248759.db2.gz TXZZINRJNBOLGO-NWDGAFQWSA-N 1 0 327.406 1.527 20 5 EDBDRO Cc1nn(C)c(C(=O)N[C@@H]2CCCN(c3ccccn3)C2)c1[N+](=O)[O-] ZINC000155462065 442400519 /nfs/dbraw/zinc/40/05/19/442400519.db2.gz NJCFQDWSRRGYMQ-GFCCVEGCSA-N 1 0 344.375 1.431 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000172066557 442405935 /nfs/dbraw/zinc/40/59/35/442405935.db2.gz HDPQKLRINGZWDP-LBPRGKRZSA-N 1 0 327.406 1.618 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000178863141 442507414 /nfs/dbraw/zinc/50/74/14/442507414.db2.gz YWEISNWQDWWPQF-GOSISDBHSA-N 1 0 349.431 1.672 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134258452 442462003 /nfs/dbraw/zinc/46/20/03/442462003.db2.gz UHIUHEFGHAJDRF-LBPRGKRZSA-N 1 0 325.340 1.575 20 5 EDBDRO CCOC(=O)c1ccnc(N2CC[C@@H]([NH+]3CC=CC3)C2)c1[N+](=O)[O-] ZINC000172773029 442540616 /nfs/dbraw/zinc/54/06/16/442540616.db2.gz NLLPGMCVVVDXQC-GFCCVEGCSA-N 1 0 332.360 1.617 20 5 EDBDRO O=C1CNC(=O)N1CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135231992 442571515 /nfs/dbraw/zinc/57/15/15/442571515.db2.gz SMPRQFAJEVMLFG-UHFFFAOYSA-N 1 0 332.360 1.501 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000186684033 442590891 /nfs/dbraw/zinc/59/08/91/442590891.db2.gz APQGPABDQNKNNB-AAEUAGOBSA-N 1 0 329.360 1.508 20 5 EDBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc([N+](=O)[O-])c1 ZINC000180454791 442604251 /nfs/dbraw/zinc/60/42/51/442604251.db2.gz UJAFJYVTAOQGGL-YGRLFVJLSA-N 1 0 335.320 1.411 20 5 EDBDRO CN(C)CC[NH+]1CCC(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000181078484 442679294 /nfs/dbraw/zinc/67/92/94/442679294.db2.gz QNSRWWHEJLGLME-UHFFFAOYSA-N 1 0 349.435 1.180 20 5 EDBDRO C[C@H]1COCCN1CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000192758969 442684108 /nfs/dbraw/zinc/68/41/08/442684108.db2.gz GJSPPLOMORQKDQ-KBPBESRZSA-N 1 0 335.408 1.197 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000192917719 442697968 /nfs/dbraw/zinc/69/79/68/442697968.db2.gz SMCDBLLCHGJMHL-TXEJJXNPSA-N 1 0 325.390 1.085 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1C ZINC000192920357 442698549 /nfs/dbraw/zinc/69/85/49/442698549.db2.gz HMUKPHWARIDWCP-BETUJISGSA-N 1 0 339.417 1.394 20 5 EDBDRO C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181491852 442700196 /nfs/dbraw/zinc/70/01/96/442700196.db2.gz JRFURAXCCYFWCF-CHWSQXEVSA-N 1 0 335.408 1.561 20 5 EDBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180785346 442658948 /nfs/dbraw/zinc/65/89/48/442658948.db2.gz UXKBGVHWRBJXRB-UHFFFAOYSA-N 1 0 347.371 1.928 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NCC[NH2+]C(C)(C)C)ccc1[N+](=O)[O-] ZINC000180814056 442661406 /nfs/dbraw/zinc/66/14/06/442661406.db2.gz LZQYWGLGMJOGQM-UHFFFAOYSA-N 1 0 336.392 1.137 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000193505248 442749286 /nfs/dbraw/zinc/74/92/86/442749286.db2.gz BFMLJSFWKGIAAZ-GXFFZTMASA-N 1 0 330.348 1.046 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193606034 442758946 /nfs/dbraw/zinc/75/89/46/442758946.db2.gz DIUNCINBTSAYQP-TXEJJXNPSA-N 1 0 334.376 1.035 20 5 EDBDRO Cc1cc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000188672895 442785415 /nfs/dbraw/zinc/78/54/15/442785415.db2.gz MZZVAWMWFDRREW-ZDUSSCGKSA-N 1 0 335.404 1.820 20 5 EDBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000265583460 442833474 /nfs/dbraw/zinc/83/34/74/442833474.db2.gz WYSJMNNIJXNUGJ-NSHDSACASA-N 1 0 327.772 1.395 20 5 EDBDRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246874865 442818978 /nfs/dbraw/zinc/81/89/78/442818978.db2.gz JQGMJJHGTDMHIU-HIFRSBDPSA-N 1 0 347.419 1.877 20 5 EDBDRO CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000194118394 442848016 /nfs/dbraw/zinc/84/80/16/442848016.db2.gz AOVLDYFMFLNDOY-UHFFFAOYSA-N 1 0 343.387 1.947 20 5 EDBDRO COc1ccc(CNC(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000268236360 442910961 /nfs/dbraw/zinc/91/09/61/442910961.db2.gz QQWXIMFRXSYUQF-BXUZGUMPSA-N 1 0 336.392 1.695 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc([N+](=O)[O-])c1OC ZINC000265910914 442966264 /nfs/dbraw/zinc/96/62/64/442966264.db2.gz TWDREHHRVAAUEW-OLZOCXBDSA-N 1 0 349.387 1.969 20 5 EDBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc([N+](=O)[O-])c1OC ZINC000265910922 442966422 /nfs/dbraw/zinc/96/64/22/442966422.db2.gz TWDREHHRVAAUEW-STQMWFEESA-N 1 0 349.387 1.969 20 5 EDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000265970649 442988471 /nfs/dbraw/zinc/98/84/71/442988471.db2.gz KTIJCFFKBUAFFR-LLVKDONJSA-N 1 0 342.421 1.020 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000184517134 443033349 /nfs/dbraw/zinc/03/33/49/443033349.db2.gz UGTRUQWYCWZGQZ-LBPRGKRZSA-N 1 0 334.376 1.218 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184637055 443052488 /nfs/dbraw/zinc/05/24/88/443052488.db2.gz VNGWMFTUIXUVMG-ZIAGYGMSSA-N 1 0 341.433 1.887 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1C ZINC000261737552 443166994 /nfs/dbraw/zinc/16/69/94/443166994.db2.gz OWVNZOAQNJOOLD-CQSZACIVSA-N 1 0 341.433 1.878 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000237317303 443169054 /nfs/dbraw/zinc/16/90/54/443169054.db2.gz UTZDUCQEAFDUFJ-CYBMUJFWSA-N 1 0 341.433 1.832 20 5 EDBDRO CO[C@@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000261948266 443175803 /nfs/dbraw/zinc/17/58/03/443175803.db2.gz VWWMHQLTORDMDN-NWDGAFQWSA-N 1 0 343.405 1.030 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262340058 443191219 /nfs/dbraw/zinc/19/12/19/443191219.db2.gz UGGBZLPMEOTBCP-ZJUUUORDSA-N 1 0 329.353 1.249 20 5 EDBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](OCCO)C2)c([N+](=O)[O-])c1 ZINC000266526969 443157750 /nfs/dbraw/zinc/15/77/50/443157750.db2.gz KSVQUQLHBAXDRR-CQSZACIVSA-N 1 0 340.376 1.456 20 5 EDBDRO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245455326 443228815 /nfs/dbraw/zinc/22/88/15/443228815.db2.gz SKZVJFFIKLYYRX-CHWSQXEVSA-N 1 0 335.408 1.733 20 5 EDBDRO C[C@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[C@H]1[NH3+] ZINC000269215210 443236605 /nfs/dbraw/zinc/23/66/05/443236605.db2.gz PEJZBBRRFVNECQ-XHDPSFHLSA-N 1 0 329.360 1.590 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000269104126 443197861 /nfs/dbraw/zinc/19/78/61/443197861.db2.gz HHPJHGHYDLVAIE-CYBMUJFWSA-N 1 0 348.403 1.173 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C2(C[NH3+])CCC2)cc1C ZINC000385304637 319128186 /nfs/dbraw/zinc/12/81/86/319128186.db2.gz KLMSKHCLCCATPU-UHFFFAOYSA-N 1 0 327.406 1.714 20 5 EDBDRO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)C2CC2)c(C)cc1[N+](=O)[O-] ZINC000414467515 319327735 /nfs/dbraw/zinc/32/77/35/319327735.db2.gz WIHLTEZHTXHQGP-UHFFFAOYSA-N 1 0 341.433 1.926 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000191331785 443279450 /nfs/dbraw/zinc/27/94/50/443279450.db2.gz OGCWKYQDRUZPDM-AWEZNQCLSA-N 1 0 349.435 1.969 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000266986789 443308919 /nfs/dbraw/zinc/30/89/19/443308919.db2.gz GAZAALUCDRKMQQ-LBPRGKRZSA-N 1 0 349.387 1.922 20 5 EDBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282564600 443375480 /nfs/dbraw/zinc/37/54/80/443375480.db2.gz DWJGYDHORVDVNM-CQSZACIVSA-N 1 0 334.376 1.476 20 5 EDBDRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269656860 443382555 /nfs/dbraw/zinc/38/25/55/443382555.db2.gz OTDOFTOIPKJBDV-WBVHZDCISA-N 1 0 347.415 1.866 20 5 EDBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@H]1[NH+](C)C ZINC000282599447 443385518 /nfs/dbraw/zinc/38/55/18/443385518.db2.gz ABJCTJJCNMAHJE-OLZOCXBDSA-N 1 0 342.396 1.434 20 5 EDBDRO CN1CC[NH+](CC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000264610310 443346248 /nfs/dbraw/zinc/34/62/48/443346248.db2.gz HWEFANWMAWUPIO-UHFFFAOYSA-N 1 0 346.431 1.694 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc([N+](=O)[O-])c1OC ZINC000272557242 443362788 /nfs/dbraw/zinc/36/27/88/443362788.db2.gz DONSDWAXUMJGGO-BXUZGUMPSA-N 1 0 349.387 1.778 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCC[N@@H+](C)CC1 ZINC000282518271 443363128 /nfs/dbraw/zinc/36/31/28/443363128.db2.gz OKJNRMAEHVFYNA-UHFFFAOYSA-N 1 0 338.339 1.145 20 5 EDBDRO C[C@@H]1C[NH2+]C[C@H](C)N1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420315140 319609273 /nfs/dbraw/zinc/60/92/73/319609273.db2.gz WLMDUCZTMGFJTF-AOOOYVTPSA-N 1 0 326.784 1.869 20 5 EDBDRO CCOc1ccc(NC(=O)CN2C[C@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000420396134 319615915 /nfs/dbraw/zinc/61/59/15/319615915.db2.gz LUQUOWPRUXSJEO-NWDGAFQWSA-N 1 0 336.392 1.614 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420446719 319620604 /nfs/dbraw/zinc/62/06/04/319620604.db2.gz BREZVTMAPIQPEK-CHWSQXEVSA-N 1 0 339.417 1.605 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272687969 443409765 /nfs/dbraw/zinc/40/97/65/443409765.db2.gz WOIUHMAGWGJRHV-DOMZBBRYSA-N 1 0 349.387 1.535 20 5 EDBDRO Cc1c(C(=O)NCCCC[NH+](C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000264941227 443484942 /nfs/dbraw/zinc/48/49/42/443484942.db2.gz VXAFLJDSKHDZBF-UHFFFAOYSA-N 1 0 346.391 1.556 20 5 EDBDRO COCC1(O)CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000270358992 443467765 /nfs/dbraw/zinc/46/77/65/443467765.db2.gz JSHIUJNHMKCMAI-UHFFFAOYSA-N 1 0 337.376 1.397 20 5 EDBDRO COC(=O)[C@H](C)CN(C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000264978243 443497725 /nfs/dbraw/zinc/49/77/25/443497725.db2.gz JQLJAXQKOHZYDU-SNVBAGLBSA-N 1 0 339.348 1.283 20 5 EDBDRO CCOc1ccc(NC(=O)CN2C[C@@H](C)[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430928677 319935485 /nfs/dbraw/zinc/93/54/85/319935485.db2.gz UXCGUYLRLCGJTL-VXGBXAGGSA-N 1 0 336.392 1.614 20 5 EDBDRO Cc1c(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000272359105 443602771 /nfs/dbraw/zinc/60/27/71/443602771.db2.gz ZATKALQIFWAPHY-CMPLNLGQSA-N 1 0 344.375 1.293 20 5 EDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CCO)c1ccccc1 ZINC000441421421 320095169 /nfs/dbraw/zinc/09/51/69/320095169.db2.gz OAXIRUYBHDPCLF-JKSUJKDBSA-N 1 0 334.376 1.208 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000447251015 320140061 /nfs/dbraw/zinc/14/00/61/320140061.db2.gz OBWHQXJEERDJAU-YNEHKIRRSA-N 1 0 339.417 1.651 20 5 EDBDRO CC[C@H](CNS(C)(=O)=O)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000449443819 320191615 /nfs/dbraw/zinc/19/16/15/320191615.db2.gz WBADPXYHMDMQHW-ICDLMJIXSA-N 1 0 341.433 1.916 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000449664580 320198450 /nfs/dbraw/zinc/19/84/50/320198450.db2.gz BZLCQHWZRVJNTH-LLVKDONJSA-N 1 0 334.376 1.053 20 5 EDBDRO CN(CC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000449668076 320199243 /nfs/dbraw/zinc/19/92/43/320199243.db2.gz SHRVKTISLFJGBM-GFCCVEGCSA-N 1 0 328.319 1.144 20 5 EDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000449753094 320205325 /nfs/dbraw/zinc/20/53/25/320205325.db2.gz NQQPBNQUUFOCCW-AWEZNQCLSA-N 1 0 329.360 1.651 20 5 EDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000449752656 320205502 /nfs/dbraw/zinc/20/55/02/320205502.db2.gz NGKDIJZKUPOVNH-CQSZACIVSA-N 1 0 335.360 1.165 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000454072698 320282198 /nfs/dbraw/zinc/28/21/98/320282198.db2.gz UGJRITHHOJSCBH-UHFFFAOYSA-N 1 0 348.403 1.832 20 5 EDBDRO C[NH+](C)CC(C)(C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000458711392 320339140 /nfs/dbraw/zinc/33/91/40/320339140.db2.gz YWUXCKFVUXIGCM-UHFFFAOYSA-N 1 0 334.380 1.611 20 5 EDBDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)c2)CC1 ZINC000286229890 443672423 /nfs/dbraw/zinc/67/24/23/443672423.db2.gz YEPJSLZECJFESN-UHFFFAOYSA-N 1 0 344.375 1.712 20 5 EDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492742568 320384505 /nfs/dbraw/zinc/38/45/05/320384505.db2.gz XJYHKWHKOHFISD-WBTMPAOCSA-N 1 0 347.415 1.912 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCN(CC(F)F)C2)c1 ZINC000515166405 320431622 /nfs/dbraw/zinc/43/16/22/320431622.db2.gz OIERJQBQWXRFCC-AAEUAGOBSA-N 1 0 345.346 1.264 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000516781192 320441251 /nfs/dbraw/zinc/44/12/51/320441251.db2.gz CAFJVYRHDGGKRN-ZYHUDNBSSA-N 1 0 327.406 1.658 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000298511002 443787367 /nfs/dbraw/zinc/78/73/67/443787367.db2.gz WUHFXRLADBVBPI-KGLIPLIRSA-N 1 0 325.390 1.500 20 5 EDBDRO C[C@]1(C(N)=O)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000280830261 443753318 /nfs/dbraw/zinc/75/33/18/443753318.db2.gz VVSNRXUSWHEGBV-HNNXBMFYSA-N 1 0 338.339 1.260 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@H]1C ZINC000281105330 443819504 /nfs/dbraw/zinc/81/95/04/443819504.db2.gz FSVOLEDMFGYXTO-GHMZBOCLSA-N 1 0 347.375 1.135 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000281121868 443824878 /nfs/dbraw/zinc/82/48/78/443824878.db2.gz WVTRVBQHFGMOFF-AWEZNQCLSA-N 1 0 335.408 1.705 20 5 EDBDRO CC[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+](CC)CC ZINC000530572424 320630871 /nfs/dbraw/zinc/63/08/71/320630871.db2.gz HFNMVFAWGYANNY-OAHLLOKOSA-N 1 0 349.435 1.759 20 5 EDBDRO CC[NH+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000288366427 443857074 /nfs/dbraw/zinc/85/70/74/443857074.db2.gz WRORRNLHAANIFC-UHFFFAOYSA-N 1 0 340.811 1.616 20 5 EDBDRO CC(C)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(CO)CCC1 ZINC000293165114 443941037 /nfs/dbraw/zinc/94/10/37/443941037.db2.gz VCBAUFBZYZJGMF-HNNXBMFYSA-N 1 0 335.404 1.971 20 5 EDBDRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000277223369 443941993 /nfs/dbraw/zinc/94/19/93/443941993.db2.gz YBHRUXZKEFRIOL-NSHDSACASA-N 1 0 330.410 1.078 20 5 EDBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000541816109 320777630 /nfs/dbraw/zinc/77/76/30/320777630.db2.gz DOVZGAYIPMLFJT-NSHDSACASA-N 1 0 342.421 1.341 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000285297341 443931404 /nfs/dbraw/zinc/93/14/04/443931404.db2.gz LRYPGOKAPUVHLB-MNOVXSKESA-N 1 0 329.347 1.760 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000299184886 443977287 /nfs/dbraw/zinc/97/72/87/443977287.db2.gz BUARVASQSOOMDM-ZDUSSCGKSA-N 1 0 346.387 1.457 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCCCCCCC[NH+]1CCCC1 ZINC000299198970 443980749 /nfs/dbraw/zinc/98/07/49/443980749.db2.gz SNIGWKKNZLUOMT-UHFFFAOYSA-N 1 0 337.424 1.954 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H](C)OC ZINC000285619767 444050059 /nfs/dbraw/zinc/05/00/59/444050059.db2.gz KHPYCLIHUUXYQM-NSHDSACASA-N 1 0 325.365 1.899 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(CCOc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000293419385 444011943 /nfs/dbraw/zinc/01/19/43/444011943.db2.gz ZSABPQXBXHPFBU-DLBZAZTESA-N 1 0 335.404 1.769 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000285707459 444079892 /nfs/dbraw/zinc/07/98/92/444079892.db2.gz JDHVQYGPIDIRMZ-HOTGVXAUSA-N 1 0 333.388 1.459 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NCC[N@H+]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000564623339 321137956 /nfs/dbraw/zinc/13/79/56/321137956.db2.gz WODBLRJLCHPXFS-NSHDSACASA-N 1 0 341.433 1.832 20 5 EDBDRO Cc1nc(CC[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)no1 ZINC000299615883 444096705 /nfs/dbraw/zinc/09/67/05/444096705.db2.gz PDIFFHRBHAVNGJ-ZDUSSCGKSA-N 1 0 336.348 1.200 20 5 EDBDRO COc1ccncc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566120203 321218159 /nfs/dbraw/zinc/21/81/59/321218159.db2.gz MARAQYVVCNMGAU-CQSZACIVSA-N 1 0 333.344 1.528 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000567847191 321262821 /nfs/dbraw/zinc/26/28/21/321262821.db2.gz CCQQYVKGBBPGSA-CQSZACIVSA-N 1 0 344.375 1.431 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CO)C1CCCC1 ZINC000289421117 444137833 /nfs/dbraw/zinc/13/78/33/444137833.db2.gz CCZAEMJOGQEPHK-AWEZNQCLSA-N 1 0 337.376 1.683 20 5 EDBDRO COc1ncccc1CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000573480227 321456064 /nfs/dbraw/zinc/45/60/64/321456064.db2.gz IEMJEMQEIHKJSI-OAHLLOKOSA-N 1 0 347.371 1.570 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000285934453 444157843 /nfs/dbraw/zinc/15/78/43/444157843.db2.gz FRHZLSBQJMLWPE-OXJKWZBOSA-N 1 0 348.403 1.216 20 5 EDBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000301451470 444172362 /nfs/dbraw/zinc/17/23/62/444172362.db2.gz UFBBTZNASITICM-NSHDSACASA-N 1 0 326.372 1.790 20 5 EDBDRO CN1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1c1ccccc1 ZINC000289377546 444123031 /nfs/dbraw/zinc/12/30/31/444123031.db2.gz KVYWGHIPXYEQRD-AEFFLSMTSA-N 1 0 342.399 1.792 20 5 EDBDRO CN(CC[NH+](C)C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000286012594 444176502 /nfs/dbraw/zinc/17/65/02/444176502.db2.gz ONQWTTFAWAETOH-UHFFFAOYSA-N 1 0 339.776 1.569 20 5 EDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C[C@H]21 ZINC000301666451 444184223 /nfs/dbraw/zinc/18/42/23/444184223.db2.gz ONXVPFHOFAJOTE-DGCLKSJQSA-N 1 0 329.303 1.715 20 5 EDBDRO CNS(=O)(=O)c1ccc(N[C@@H]2CC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000301919730 444197143 /nfs/dbraw/zinc/19/71/43/444197143.db2.gz IPDRLULZJPKKFS-GHMZBOCLSA-N 1 0 342.421 1.398 20 5 EDBDRO C[N@H+](C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000290051925 444235973 /nfs/dbraw/zinc/23/59/73/444235973.db2.gz RVJKPXKEPPMTEY-KRWDZBQOSA-N 1 0 334.420 1.172 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000304311835 444246312 /nfs/dbraw/zinc/24/63/12/444246312.db2.gz MFWTXZKTGMGKHU-HOCLYGCPSA-N 1 0 331.376 1.339 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1CCC(C[NH3+])CC1 ZINC000323473224 444343255 /nfs/dbraw/zinc/34/32/55/444343255.db2.gz YKYJCHAXHFAWIL-UHFFFAOYSA-N 1 0 341.433 1.947 20 5 EDBDRO [NH3+]CCCOC1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000325642683 444367846 /nfs/dbraw/zinc/36/78/46/444367846.db2.gz XQWSCYOMMRQQHE-WAYWQWQTSA-N 1 0 333.388 1.964 20 5 EDBDRO COc1c(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000331042615 444371515 /nfs/dbraw/zinc/37/15/15/444371515.db2.gz DEJZHTLTUTYWGR-CYBMUJFWSA-N 1 0 349.387 1.398 20 5 EDBDRO O=C(NCCC[NH2+]C1CC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000578533969 321791644 /nfs/dbraw/zinc/79/16/44/321791644.db2.gz FIWKJMJBUWVEDO-UHFFFAOYSA-N 1 0 329.360 1.652 20 5 EDBDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000331193075 444438507 /nfs/dbraw/zinc/43/85/07/444438507.db2.gz QPWPVXABMZTPDJ-KGLIPLIRSA-N 1 0 327.406 1.545 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579702872 321963000 /nfs/dbraw/zinc/96/30/00/321963000.db2.gz RHAAJLOIOICZIG-INIZCTEOSA-N 1 0 333.344 1.539 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000580191495 322021209 /nfs/dbraw/zinc/02/12/09/322021209.db2.gz IRVWHNAEKALIRI-JSGCOSHPSA-N 1 0 339.417 1.530 20 5 EDBDRO CCNC(=O)C(C)(C)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000581424492 322175844 /nfs/dbraw/zinc/17/58/44/322175844.db2.gz RUDBIBWZUMOMJB-ZDUSSCGKSA-N 1 0 339.392 1.086 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000581430646 322176910 /nfs/dbraw/zinc/17/69/10/322176910.db2.gz IXBFLGKTDUZXMK-INIZCTEOSA-N 1 0 326.356 1.997 20 5 EDBDRO [NH3+]C[C@H]1CCCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000581943021 322235903 /nfs/dbraw/zinc/23/59/03/322235903.db2.gz IUVFOQGROWIGJN-GFCCVEGCSA-N 1 0 327.406 1.138 20 5 EDBDRO CCOC(=O)CC(C)(C)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000343893996 444651243 /nfs/dbraw/zinc/65/12/43/444651243.db2.gz BSUGZOPHDAZBAM-UHFFFAOYSA-N 1 0 337.376 1.857 20 5 EDBDRO CO[C@H]1C[C@@H](CN(C)c2nc(-c3ccc([N+](=O)[O-])cc3)no2)[N@H+](C)C1 ZINC000343873187 444639822 /nfs/dbraw/zinc/63/98/22/444639822.db2.gz HIZJYRRJZHNFTK-KBPBESRZSA-N 1 0 347.375 1.800 20 5 EDBDRO C[C@@H]1[C@@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343976851 444705320 /nfs/dbraw/zinc/70/53/20/444705320.db2.gz JYCDIMMUTQZOPJ-OCCSQVGLSA-N 1 0 341.433 1.539 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344020558 444731876 /nfs/dbraw/zinc/73/18/76/444731876.db2.gz ANWCFTCQGSOSBV-BJJXKVORSA-N 1 0 333.388 1.935 20 5 EDBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000344056644 444755350 /nfs/dbraw/zinc/75/53/50/444755350.db2.gz IHDVIGKCKKDYPQ-UHFFFAOYSA-N 1 0 335.364 1.515 20 5 EDBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000338582818 444755455 /nfs/dbraw/zinc/75/54/55/444755455.db2.gz QDTNORIPZLGCOX-HNNXBMFYSA-N 1 0 348.403 1.267 20 5 EDBDRO CC(C)(C(=O)Nc1ccc(OCC[NH3+])cc1)n1cc([N+](=O)[O-])cn1 ZINC000342595787 444765548 /nfs/dbraw/zinc/76/55/48/444765548.db2.gz SFDUGAPIVREUFE-UHFFFAOYSA-N 1 0 333.348 1.503 20 5 EDBDRO C[NH+]1CCC(O)(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000341451778 444839343 /nfs/dbraw/zinc/83/93/43/444839343.db2.gz KSDFBWBCJLCSBJ-UHFFFAOYSA-N 1 0 335.404 1.445 20 5 EDBDRO Cn1c(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000342825070 444881381 /nfs/dbraw/zinc/88/13/81/444881381.db2.gz JRKMRPDVYQGYSQ-UHFFFAOYSA-N 1 0 347.375 1.199 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2Cn2ccnn2)c1 ZINC000344351089 444912585 /nfs/dbraw/zinc/91/25/85/444912585.db2.gz VHECKKWODHXABS-LSDHHAIUSA-N 1 0 347.375 1.091 20 5 EDBDRO C[NH+](C)CCn1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)n1 ZINC000342908541 444935353 /nfs/dbraw/zinc/93/53/53/444935353.db2.gz VQLUJUCCIGLORN-UHFFFAOYSA-N 1 0 342.359 2.087 20 5 EDBDRO COc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000337255296 445005423 /nfs/dbraw/zinc/00/54/23/445005423.db2.gz MRMIDQKLNPYRBL-LZWOXQAQSA-N 1 0 336.388 1.965 20 5 EDBDRO COc1ccc(NC(=O)CN2C[C@H](C)[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000330600922 445055178 /nfs/dbraw/zinc/05/51/78/445055178.db2.gz VMIADCSPWRSWTH-NWDGAFQWSA-N 1 0 336.392 1.566 20 5 EDBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000341968024 445100440 /nfs/dbraw/zinc/10/04/40/445100440.db2.gz OFJMTLHZTGXAHL-GFCCVEGCSA-N 1 0 329.422 1.994 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(CC(F)(F)F)CC2)c1 ZINC000341986807 445109728 /nfs/dbraw/zinc/10/97/28/445109728.db2.gz IAIXJVJMKWQNDM-GFCCVEGCSA-N 1 0 336.314 1.817 20 5 EDBDRO CC(C)(O)C[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000342115941 445181033 /nfs/dbraw/zinc/18/10/33/445181033.db2.gz NZYGUCZPDLJDTE-UHFFFAOYSA-N 1 0 347.375 1.137 20 5 EDBDRO C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C(N)=O ZINC000346590655 445219193 /nfs/dbraw/zinc/21/91/93/445219193.db2.gz QXERHDKVWVBCDH-SMDDNHRTSA-N 1 0 344.371 1.846 20 5 EDBDRO CC[C@@H](O)C[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347406194 445237753 /nfs/dbraw/zinc/23/77/53/445237753.db2.gz BDLBDWYAFQIDOD-GFCCVEGCSA-N 1 0 331.376 1.431 20 5 EDBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347430334 445237894 /nfs/dbraw/zinc/23/78/94/445237894.db2.gz NTWYEEJJLFTMEA-CYBMUJFWSA-N 1 0 345.403 2.307 20 5 EDBDRO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000348271359 445334436 /nfs/dbraw/zinc/33/44/36/445334436.db2.gz ILUFUULOGCTMIA-OAHLLOKOSA-N 1 0 339.417 1.593 20 5 EDBDRO C[NH+](C)CCOC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000351897542 445361833 /nfs/dbraw/zinc/36/18/33/445361833.db2.gz PONRKYLSCWBVAT-UHFFFAOYSA-N 1 0 335.404 1.707 20 5 EDBDRO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000357072781 445408232 /nfs/dbraw/zinc/40/82/32/445408232.db2.gz HPPKOCRPNJXIQK-QWRGUYRKSA-N 1 0 338.795 1.728 20 5 EDBDRO Cc1c(NC(=O)CCN2CC[C@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000357094436 445424852 /nfs/dbraw/zinc/42/48/52/445424852.db2.gz ZQOHPVDPZKYCAK-KBPBESRZSA-N 1 0 332.404 1.773 20 5 EDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000362435744 445380199 /nfs/dbraw/zinc/38/01/99/445380199.db2.gz XAQKDTOHYFRMDV-GHMZBOCLSA-N 1 0 339.779 1.841 20 5 EDBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H](CN)C1CC1 ZINC000359998892 445521160 /nfs/dbraw/zinc/52/11/60/445521160.db2.gz FSKPWMYDXWNRCN-CQSZACIVSA-N 1 0 334.376 1.562 20 5 EDBDRO C[C@H](CC[NH+](C)C)Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000357226761 445491937 /nfs/dbraw/zinc/49/19/37/445491937.db2.gz XVCPATNQZAODNS-LLVKDONJSA-N 1 0 344.437 1.597 20 5 EDBDRO CC(C)c1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)cc1[N+](=O)[O-] ZINC000353082989 445573809 /nfs/dbraw/zinc/57/38/09/445573809.db2.gz YOKMYVJQYTUXQR-CVEARBPZSA-N 1 0 333.388 1.873 20 5 EDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362769015 445541155 /nfs/dbraw/zinc/54/11/55/445541155.db2.gz IWKIXMPCVSUZOB-JTQLQIEISA-N 1 0 327.331 1.968 20 5 EDBDRO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000356050682 445590784 /nfs/dbraw/zinc/59/07/84/445590784.db2.gz XYMIGHMMTVIWLS-HNNXBMFYSA-N 1 0 344.371 1.072 20 5 EDBDRO CNC(=O)CN1CCCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000363098574 445676902 /nfs/dbraw/zinc/67/69/02/445676902.db2.gz ULEDSUIIIKZGIT-UHFFFAOYSA-N 1 0 349.391 1.189 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000349782588 445676941 /nfs/dbraw/zinc/67/69/41/445676941.db2.gz ZJPUOPCQLOFYSY-LBPRGKRZSA-N 1 0 329.422 1.910 20 5 EDBDRO CNS(=O)(=O)C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000349964675 445735557 /nfs/dbraw/zinc/73/55/57/445735557.db2.gz KEMUUZWSQXPVFB-CQSZACIVSA-N 1 0 327.406 1.417 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]CC(C)(C)N(C)C)cc1[N+](=O)[O-] ZINC000353762905 445743233 /nfs/dbraw/zinc/74/32/33/445743233.db2.gz WREBINOIKULWPM-UHFFFAOYSA-N 1 0 339.392 1.576 20 5 EDBDRO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CC2)cc1 ZINC000361553982 445816446 /nfs/dbraw/zinc/81/64/46/445816446.db2.gz DHQMMWSRNBMJFY-SJORKVTESA-N 1 0 331.416 1.988 20 5 EDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000372952090 445941061 /nfs/dbraw/zinc/94/10/61/445941061.db2.gz GWVIDWGFUNCEBB-XJKSGUPXSA-N 1 0 332.404 1.997 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H](C)N(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000350837273 445924245 /nfs/dbraw/zinc/92/42/45/445924245.db2.gz SSJCHKGXUCLFAX-NWDGAFQWSA-N 1 0 327.406 1.616 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H](C)N(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000350837276 445924374 /nfs/dbraw/zinc/92/43/74/445924374.db2.gz SSJCHKGXUCLFAX-RYUDHWBXSA-N 1 0 327.406 1.616 20 5 EDBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000351143101 445999564 /nfs/dbraw/zinc/99/95/64/445999564.db2.gz RLPBRHXWHALQKN-TYNCELHUSA-N 1 0 349.387 1.877 20 5 EDBDRO Cc1ccnc(N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000361832117 445988981 /nfs/dbraw/zinc/98/89/81/445988981.db2.gz ZRASEGOCBDZQBW-OAHLLOKOSA-N 1 0 333.436 1.762 20 5 EDBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373055461 445997629 /nfs/dbraw/zinc/99/76/29/445997629.db2.gz KAVSYTDTGRHUAL-IAQYHMDHSA-N 1 0 330.388 1.993 20 5 EDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000359202911 446032286 /nfs/dbraw/zinc/03/22/86/446032286.db2.gz SJHVGJJPDKSRMO-ZDUSSCGKSA-N 1 0 349.387 1.509 20 5 EDBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000356769683 446000367 /nfs/dbraw/zinc/00/03/67/446000367.db2.gz KMHWFETVZODWBR-LBPRGKRZSA-N 1 0 346.391 1.634 20 5 EDBDRO C[C@H](O)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000583631175 326108107 /nfs/dbraw/zinc/10/81/07/326108107.db2.gz LROSSFSBVNAJCH-WBIUFABUSA-N 1 0 338.339 1.003 20 5 EDBDRO Cc1c(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)cccc1[N+](=O)[O-] ZINC000583993560 326180236 /nfs/dbraw/zinc/18/02/36/326180236.db2.gz KINRDQHROLUGOO-ZDUSSCGKSA-N 1 0 333.388 1.731 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000584231155 326224745 /nfs/dbraw/zinc/22/47/45/326224745.db2.gz DAGWPHRRHPXFMK-AWEZNQCLSA-N 1 0 333.388 1.351 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000369323354 446072871 /nfs/dbraw/zinc/07/28/71/446072871.db2.gz WRRYIHZUMHMDEC-IACUBPJLSA-N 1 0 339.417 1.651 20 5 EDBDRO COc1cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000359304221 446136268 /nfs/dbraw/zinc/13/62/68/446136268.db2.gz KPSKNOVPOKASKZ-QWRGUYRKSA-N 1 0 343.330 1.856 20 5 EDBDRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000366230642 446095712 /nfs/dbraw/zinc/09/57/12/446095712.db2.gz RTSYFZDCZVBVOD-CQSZACIVSA-N 1 0 325.390 1.311 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000373207623 446096122 /nfs/dbraw/zinc/09/61/22/446096122.db2.gz XVGCQTGXABPOPW-KRWDZBQOSA-N 1 0 347.346 1.489 20 5 EDBDRO C[NH+]1CCC(n2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)n2)CC1 ZINC000373231542 446108883 /nfs/dbraw/zinc/10/88/83/446108883.db2.gz PGBIYUHNKZMIAN-UHFFFAOYSA-N 1 0 335.389 2.372 20 5 EDBDRO C[C@@H]1C[C@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCN1C ZINC000354342997 446126972 /nfs/dbraw/zinc/12/69/72/446126972.db2.gz ZVQLVZGVFXQBAO-RKDXNWHRSA-N 1 0 333.435 1.954 20 5 EDBDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000351568549 446165604 /nfs/dbraw/zinc/16/56/04/446165604.db2.gz PVQZAXGBWJNTCS-UHFFFAOYSA-N 1 0 331.369 1.449 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000362018587 446157473 /nfs/dbraw/zinc/15/74/73/446157473.db2.gz BWAHVVWHFJGDJT-GXTWGEPZSA-N 1 0 339.417 1.618 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000365505826 446234768 /nfs/dbraw/zinc/23/47/68/446234768.db2.gz DDRGZULEPBIVKO-UHFFFAOYSA-N 1 0 335.324 1.233 20 5 EDBDRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2 ZINC000373616790 446282138 /nfs/dbraw/zinc/28/21/38/446282138.db2.gz XATYDXKVCIRSTC-ZFWWWQNUSA-N 1 0 334.332 1.847 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)cc1[N+](=O)[O-] ZINC000365708785 446309647 /nfs/dbraw/zinc/30/96/47/446309647.db2.gz BBRYMEVGTAABPQ-ZSBIGDGJSA-N 1 0 325.390 1.546 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3[nH]nc(C(F)(F)F)c3C2)n1 ZINC000365840944 446365942 /nfs/dbraw/zinc/36/59/42/446365942.db2.gz OIVWFENGVUIDIE-UHFFFAOYSA-N 1 0 330.270 1.592 20 5 EDBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000376330067 446432402 /nfs/dbraw/zinc/43/24/02/446432402.db2.gz BHTCXYFDKWOPIL-CHWSQXEVSA-N 1 0 344.375 1.769 20 5 EDBDRO O=C(NC1CC1)c1ccc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000420253112 446433891 /nfs/dbraw/zinc/43/38/91/446433891.db2.gz CXUWMPJRIHSKSK-STQMWFEESA-N 1 0 330.388 1.533 20 5 EDBDRO COC(=O)[C@H](C)NC(=O)c1ccc(N[C@@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000420266437 446439660 /nfs/dbraw/zinc/43/96/60/446439660.db2.gz QPQDGNSEECCWPV-UTLUCORTSA-N 1 0 338.364 1.034 20 5 EDBDRO C[C@H]1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000418000338 446410967 /nfs/dbraw/zinc/41/09/67/446410967.db2.gz WWISJIDIYCBCMH-JTQLQIEISA-N 1 0 326.784 1.794 20 5 EDBDRO CN1CCN(C2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)C(=O)C1 ZINC000374850947 446418024 /nfs/dbraw/zinc/41/80/24/446418024.db2.gz CUEBHTZEYNMCHI-UHFFFAOYSA-N 1 0 336.367 1.477 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370760062 446420263 /nfs/dbraw/zinc/42/02/63/446420263.db2.gz PRQPYJKPWBJAHX-DOTOQJQBSA-N 1 0 347.415 1.754 20 5 EDBDRO C[C@@](C[NH3+])(NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000420295679 446458129 /nfs/dbraw/zinc/45/81/29/446458129.db2.gz VXECNLBTQYKIGE-AWEZNQCLSA-N 1 0 326.784 1.904 20 5 EDBDRO COc1ccc(NC(=O)CCN2[C@H](C)C[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000420304832 446468312 /nfs/dbraw/zinc/46/83/12/446468312.db2.gz JGGVSCQHQIEMKI-TXEJJXNPSA-N 1 0 336.392 1.614 20 5 EDBDRO Cc1cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC000376404904 446477382 /nfs/dbraw/zinc/47/73/82/446477382.db2.gz BLEVPVRQBXFBEM-VXGBXAGGSA-N 1 0 334.376 1.703 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[NH2+]C[C@@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000420329145 446498074 /nfs/dbraw/zinc/49/80/74/446498074.db2.gz GKKITXNSMJKHBQ-OAHLLOKOSA-N 1 0 340.355 1.175 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)N2CC[NH2+]C[C@@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000420329009 446498212 /nfs/dbraw/zinc/49/82/12/446498212.db2.gz ISNDNWDSOWPHSM-BLLLJJGKSA-N 1 0 338.383 1.864 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000433155161 446538529 /nfs/dbraw/zinc/53/85/29/446538529.db2.gz CWMZKAWZHSVIEZ-MDZLAQPJSA-N 1 0 337.376 1.945 20 5 EDBDRO [NH3+]CCCCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418519732 446578789 /nfs/dbraw/zinc/57/87/89/446578789.db2.gz GSFJJCWXIWCQLD-UHFFFAOYSA-N 1 0 336.392 1.887 20 5 EDBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000420630146 446710108 /nfs/dbraw/zinc/71/01/08/446710108.db2.gz DKRWCXXPOGXNLR-INIZCTEOSA-N 1 0 348.447 1.957 20 5 EDBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000411941541 446750642 /nfs/dbraw/zinc/75/06/42/446750642.db2.gz LQDUHZJRHMWLKG-OLZOCXBDSA-N 1 0 348.403 1.640 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)n1 ZINC000371321388 446773632 /nfs/dbraw/zinc/77/36/32/446773632.db2.gz PZBCHPBQHNCVON-LBPRGKRZSA-N 1 0 347.419 1.665 20 5 EDBDRO COc1ccc(CNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000420782455 446817158 /nfs/dbraw/zinc/81/71/58/446817158.db2.gz QVVXKIPGLGVMEX-CYBMUJFWSA-N 1 0 336.392 1.839 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000439109968 446807834 /nfs/dbraw/zinc/80/78/34/446807834.db2.gz SRIXKHGYTICDOX-NSHDSACASA-N 1 0 331.376 2.387 20 5 EDBDRO O=C(N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C12CCC[NH+]1CCC2 ZINC000377103812 446921593 /nfs/dbraw/zinc/92/15/93/446921593.db2.gz PCPGADZODBGIBZ-UHFFFAOYSA-N 1 0 344.415 1.872 20 5 EDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000375636465 446941619 /nfs/dbraw/zinc/94/16/19/446941619.db2.gz MQTIWDNMOZJAKL-STQMWFEESA-N 1 0 339.417 1.842 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@H]3CNc4ccnn4C3)nc2c1 ZINC000619267217 450438664 /nfs/dbraw/zinc/43/86/64/450438664.db2.gz XFXAUWKQIXYBPC-JTQLQIEISA-N 1 0 327.348 1.499 20 5 EDBDRO COc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000377480320 447151912 /nfs/dbraw/zinc/15/19/12/447151912.db2.gz CHNPVBWUQNAXOS-OLZOCXBDSA-N 1 0 335.360 1.196 20 5 EDBDRO C[N@@H+]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000375889985 447125442 /nfs/dbraw/zinc/12/54/42/447125442.db2.gz JTLDRZMDSOXROF-CVEARBPZSA-N 1 0 343.387 1.395 20 5 EDBDRO O=C(CNc1ncc([N+](=O)[O-])cc1F)NCC[NH+]1CCCCCC1 ZINC000413302412 447126662 /nfs/dbraw/zinc/12/66/62/447126662.db2.gz MLXCCIZITSHJIR-UHFFFAOYSA-N 1 0 339.371 1.533 20 5 EDBDRO O=C(CC[N@@H+]1CC[C@@H](n2cncn2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000368882332 447177117 /nfs/dbraw/zinc/17/71/17/447177117.db2.gz NGWYPYBXSPKAOD-GFCCVEGCSA-N 1 0 348.338 1.601 20 5 EDBDRO Cc1cc(C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)c(N)c([N+](=O)[O-])c1 ZINC000372722812 447247001 /nfs/dbraw/zinc/24/70/01/447247001.db2.gz ZRGOVLGLQHSGPQ-GFCCVEGCSA-N 1 0 336.392 1.014 20 5 EDBDRO O=C(CC[N@@H+]1CC[C@@H](c2nnc[nH]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000425545522 447224315 /nfs/dbraw/zinc/22/43/15/447224315.db2.gz JWOZPQQMIAANQN-LLVKDONJSA-N 1 0 330.348 1.531 20 5 EDBDRO C[NH+](C)CCN1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000377585031 447224931 /nfs/dbraw/zinc/22/49/31/447224931.db2.gz USFXMIXUTLIPMC-BQYQJAHWSA-N 1 0 346.431 1.704 20 5 EDBDRO O=C(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000372797880 447289343 /nfs/dbraw/zinc/28/93/43/447289343.db2.gz DUSJKOZFDXJDNC-QLJPJBMISA-N 1 0 349.343 1.419 20 5 EDBDRO CC[N@@H+]1CC[C@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000413818748 447257503 /nfs/dbraw/zinc/25/75/03/447257503.db2.gz PDNIAHYDXPJDHI-AWEZNQCLSA-N 1 0 347.419 1.521 20 5 EDBDRO O=C1CC[C@H](C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCN1 ZINC000450561601 447526908 /nfs/dbraw/zinc/52/69/08/447526908.db2.gz GBOOJXHRAKZGNK-QWHCGFSZSA-N 1 0 333.392 1.392 20 5 EDBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000403986311 447589723 /nfs/dbraw/zinc/58/97/23/447589723.db2.gz HMQCCASCIOYKKT-WCQYABFASA-N 1 0 325.752 1.451 20 5 EDBDRO NS(=O)(=O)c1cccc(NCC2([NH3+])CCCCC2)c1[N+](=O)[O-] ZINC000420149216 447638230 /nfs/dbraw/zinc/63/82/30/447638230.db2.gz UTYYHOMDVTYHAI-UHFFFAOYSA-N 1 0 328.394 1.316 20 5 EDBDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000416493105 447624778 /nfs/dbraw/zinc/62/47/78/447624778.db2.gz CNVAXSZVOOZWTK-VIFPVBQESA-N 1 0 333.797 1.478 20 5 EDBDRO Cn1ccnc1C(=O)c1ccc(N2CCC(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000420191020 447663682 /nfs/dbraw/zinc/66/36/82/447663682.db2.gz WLEWGUMRBCHHFJ-UHFFFAOYSA-N 1 0 343.387 1.734 20 5 EDBDRO C[NH2+]C[C@H]1CCCN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000420205257 447669149 /nfs/dbraw/zinc/66/91/49/447669149.db2.gz IQXSOQHLVHWTJC-CYBMUJFWSA-N 1 0 343.387 1.748 20 5 EDBDRO CC(C)[C@H]([NH3+])CCN(C)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000420205750 447670572 /nfs/dbraw/zinc/67/05/72/447670572.db2.gz OANMADNDFRCHLW-SNVBAGLBSA-N 1 0 330.410 1.052 20 5 EDBDRO CC(C)[C@@H]([NH3+])CCN(C)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000420205748 447670777 /nfs/dbraw/zinc/67/07/77/447670777.db2.gz OANMADNDFRCHLW-JTQLQIEISA-N 1 0 330.410 1.052 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3cc(CN4CCOCC4)ccc3[N+](=O)[O-])C[C@@H]12 ZINC000420228007 447679587 /nfs/dbraw/zinc/67/95/87/447679587.db2.gz KBDNMQVMFFSAKP-BZUAXINKSA-N 1 0 346.431 1.601 20 5 EDBDRO O=C(NCC[C@H]1CCC[NH2+]C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000429209790 447735778 /nfs/dbraw/zinc/73/57/78/447735778.db2.gz FYBZFCJSIYMKCC-LLVKDONJSA-N 1 0 335.360 1.486 20 5 EDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000429322772 447739184 /nfs/dbraw/zinc/73/91/84/447739184.db2.gz OPFKLGOHRUWVIV-LBPRGKRZSA-N 1 0 337.376 1.398 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000422849061 447768410 /nfs/dbraw/zinc/76/84/10/447768410.db2.gz LFVLXGVQAQAAKW-ABAIWWIYSA-N 1 0 348.403 1.219 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430559787 447778150 /nfs/dbraw/zinc/77/81/50/447778150.db2.gz YBEDMOYAKPXZQR-WOSRLPQWSA-N 1 0 332.404 1.759 20 5 EDBDRO CCOc1ccc(NC(=O)CN(C)CC(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC000430562527 447779649 /nfs/dbraw/zinc/77/96/49/447779649.db2.gz FADRQMUJXPMBLN-UHFFFAOYSA-N 1 0 338.408 1.849 20 5 EDBDRO O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000496605957 447831727 /nfs/dbraw/zinc/83/17/27/447831727.db2.gz IXEWEZSJBWXDLV-CYBMUJFWSA-N 1 0 337.380 1.534 20 5 EDBDRO CN1CC[NH+](CCCCNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000524341661 447926728 /nfs/dbraw/zinc/92/67/28/447926728.db2.gz PSMMETTYRKTQPN-UHFFFAOYSA-N 1 0 349.435 1.422 20 5 EDBDRO CNc1nccc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000553391815 447989128 /nfs/dbraw/zinc/98/91/28/447989128.db2.gz JOMHNOFCBVPUNI-GFCCVEGCSA-N 1 0 335.408 1.882 20 5 EDBDRO C[NH+](C)CCn1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC000491352091 448002469 /nfs/dbraw/zinc/00/24/69/448002469.db2.gz NBMJEJVVEXRKSO-YVMONPNESA-N 1 0 329.360 2.005 20 5 EDBDRO CC(C)(C(=O)N1CCN(c2ncc[nH]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000570460179 448019825 /nfs/dbraw/zinc/01/98/25/448019825.db2.gz OEDHMRVBCWZGMA-UHFFFAOYSA-N 1 0 343.387 1.944 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000531141039 448026310 /nfs/dbraw/zinc/02/63/10/448026310.db2.gz OTMPGDQNWWAIIV-LLVKDONJSA-N 1 0 342.421 1.020 20 5 EDBDRO [NH3+][C@@H]1CCCc2cn(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)nc21 ZINC000576389224 448042369 /nfs/dbraw/zinc/04/23/69/448042369.db2.gz AFBBWLFFLQYSQU-CQSZACIVSA-N 1 0 341.371 1.717 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000531481258 448090640 /nfs/dbraw/zinc/09/06/40/448090640.db2.gz ZMLRVBQRIWSISM-CHWSQXEVSA-N 1 0 348.403 1.898 20 5 EDBDRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000576839548 448153600 /nfs/dbraw/zinc/15/36/00/448153600.db2.gz LRZQKZDDXTVFCY-NSHDSACASA-N 1 0 334.376 1.300 20 5 EDBDRO Cn1cc(CNC[C@@H]2C[C@H](F)C[NH2+]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591281634 448305171 /nfs/dbraw/zinc/30/51/71/448305171.db2.gz GZJYZKIGSUOKIF-KBPBESRZSA-N 1 0 333.367 1.785 20 5 EDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000591360427 448344402 /nfs/dbraw/zinc/34/44/02/448344402.db2.gz UAICSRHSWSODCB-STQMWFEESA-N 1 0 348.407 1.091 20 5 EDBDRO C[C@H]1C[C@@H]([NH3+])CCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000582854245 448361655 /nfs/dbraw/zinc/36/16/55/448361655.db2.gz UGOUUZYXJGNAJG-RYUDHWBXSA-N 1 0 334.376 1.704 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000577575732 448328845 /nfs/dbraw/zinc/32/88/45/448328845.db2.gz WKKCTOHVSMAEKB-JTQLQIEISA-N 1 0 333.435 1.761 20 5 EDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591685963 448451079 /nfs/dbraw/zinc/45/10/79/448451079.db2.gz FGZJFOPGUXKTDC-MIMYLULJSA-N 1 0 345.758 1.832 20 5 EDBDRO CNc1nccc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000584182187 448474148 /nfs/dbraw/zinc/47/41/48/448474148.db2.gz TVWLIWGFRMRPBZ-ZDUSSCGKSA-N 1 0 347.419 1.835 20 5 EDBDRO C[C@@H]1CN(C[C@@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000591744682 448479900 /nfs/dbraw/zinc/47/99/00/448479900.db2.gz WUMBVBPRROOEDF-LZWOXQAQSA-N 1 0 337.420 1.197 20 5 EDBDRO Cc1cccc(OCCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000591764285 448484708 /nfs/dbraw/zinc/48/47/08/448484708.db2.gz DBNJYMLVDIHUOT-MRXNPFEDSA-N 1 0 348.403 1.828 20 5 EDBDRO CCSc1cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000591761470 448484858 /nfs/dbraw/zinc/48/48/58/448484858.db2.gz OHCKFWDYIATSLV-ZDUSSCGKSA-N 1 0 337.405 1.449 20 5 EDBDRO O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000584446086 448527790 /nfs/dbraw/zinc/52/77/90/448527790.db2.gz PQKOIXUEHGSJNJ-OAHLLOKOSA-N 1 0 345.403 1.265 20 5 EDBDRO COc1cc(CC[NH2+]C[C@H](O)CSC)c([N+](=O)[O-])cc1OC ZINC000584462846 448534495 /nfs/dbraw/zinc/53/44/95/448534495.db2.gz IJGAWQVLWWRSIO-NSHDSACASA-N 1 0 330.406 1.468 20 5 EDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000578507766 448564631 /nfs/dbraw/zinc/56/46/31/448564631.db2.gz KYABHGWFGAURPZ-ZDUSSCGKSA-N 1 0 345.446 1.640 20 5 EDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000573429255 448623372 /nfs/dbraw/zinc/62/33/72/448623372.db2.gz QVEFHHGPSLUFDH-OAHLLOKOSA-N 1 0 338.408 1.988 20 5 EDBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000517541901 448590783 /nfs/dbraw/zinc/59/07/83/448590783.db2.gz NAYLEMPBEKGOFL-STQMWFEESA-N 1 0 336.392 1.191 20 5 EDBDRO CCC(=O)Nc1cccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000578759100 448629277 /nfs/dbraw/zinc/62/92/77/448629277.db2.gz PFEAIYQUUWEDES-HNNXBMFYSA-N 1 0 347.375 1.291 20 5 EDBDRO COc1cc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000567501345 448704168 /nfs/dbraw/zinc/70/41/68/448704168.db2.gz OCVFOUVOFSIFTJ-RQJHMYQMSA-N 1 0 333.291 1.670 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000579108943 448716018 /nfs/dbraw/zinc/71/60/18/448716018.db2.gz KTTIONQPKOTFFV-QANKJYHBSA-N 1 0 344.367 1.582 20 5 EDBDRO COCCC1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000519545094 448783422 /nfs/dbraw/zinc/78/34/22/448783422.db2.gz UXAGPHDWQHOWDT-HNNXBMFYSA-N 1 0 340.424 1.729 20 5 EDBDRO Cn1cc(C(=O)N2CCC(C)([NH3+])CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592331481 448794594 /nfs/dbraw/zinc/79/45/94/448794594.db2.gz QQDLKRJTDODKKR-UHFFFAOYSA-N 1 0 343.387 1.949 20 5 EDBDRO CC[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000592331421 448794722 /nfs/dbraw/zinc/79/47/22/448794722.db2.gz KDXWNMFJEIKAOG-IUODEOHRSA-N 1 0 348.403 1.301 20 5 EDBDRO C[C@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000592341105 448798672 /nfs/dbraw/zinc/79/86/72/448798672.db2.gz QFHGYPSJCWHSML-AAEUAGOBSA-N 1 0 344.375 1.232 20 5 EDBDRO C[C@H]([NH3+])CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000592385155 448817311 /nfs/dbraw/zinc/81/73/11/448817311.db2.gz NGTZOFOIZPVSQE-LURJTMIESA-N 1 0 327.284 1.239 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000592387271 448817740 /nfs/dbraw/zinc/81/77/40/448817740.db2.gz DNSGTOYFENTPQB-SNVBAGLBSA-N 1 0 329.378 1.024 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000592387471 448819107 /nfs/dbraw/zinc/81/91/07/448819107.db2.gz JDKCYDSIIDRFJF-LLVKDONJSA-N 1 0 343.405 1.353 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000592387853 448819197 /nfs/dbraw/zinc/81/91/97/448819197.db2.gz KKIJHHMJTYYQEX-STQMWFEESA-N 1 0 345.396 1.099 20 5 EDBDRO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000592389232 448819583 /nfs/dbraw/zinc/81/95/83/448819583.db2.gz RAZISHFDVBPOQG-JOCQHMNTSA-N 1 0 341.433 1.779 20 5 EDBDRO O=C(COC1CC[NH2+]CC1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000519712747 448826658 /nfs/dbraw/zinc/82/66/58/448826658.db2.gz PUZDBSBPPGKWPS-UHFFFAOYSA-N 1 0 345.359 1.692 20 5 EDBDRO CS[C@@H](CO)[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592430861 448833314 /nfs/dbraw/zinc/83/33/14/448833314.db2.gz BJVGQLSOVYIDFJ-GWCFXTLKSA-N 1 0 348.446 1.071 20 5 EDBDRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000592434719 448835440 /nfs/dbraw/zinc/83/54/40/448835440.db2.gz NQGVMUNSDQZNEG-ZDUSSCGKSA-N 1 0 327.768 1.585 20 5 EDBDRO O=C(CC[NH2+][C@H]1CCc2nc[nH]c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000574513550 448889925 /nfs/dbraw/zinc/88/99/25/448889925.db2.gz UBEHVXXNSXYLBQ-NSHDSACASA-N 1 0 329.360 1.794 20 5 EDBDRO CC(C)[NH2+]C1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000589114847 448972121 /nfs/dbraw/zinc/97/21/21/448972121.db2.gz XBDHCJILGPKTDH-UHFFFAOYSA-N 1 0 342.421 1.209 20 5 EDBDRO Cc1c(CC(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588861934 448941094 /nfs/dbraw/zinc/94/10/94/448941094.db2.gz ZKYNVBGRVHWZMI-GJZGRUSLSA-N 1 0 333.388 1.113 20 5 EDBDRO C[NH+](C)C[C@H](CO)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000588864686 448942878 /nfs/dbraw/zinc/94/28/78/448942878.db2.gz ORFDSKPGRPBABU-SNVBAGLBSA-N 1 0 347.824 1.379 20 5 EDBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000574988142 449007259 /nfs/dbraw/zinc/00/72/59/449007259.db2.gz LWXIEJCZOCWUNI-NVXWUHKLSA-N 1 0 347.415 1.882 20 5 EDBDRO Cc1cccc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000592898588 449042599 /nfs/dbraw/zinc/04/25/99/449042599.db2.gz IRCSITDCDGHOQD-UHFFFAOYSA-N 1 0 333.388 1.840 20 5 EDBDRO O=C(C[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595637802 449092767 /nfs/dbraw/zinc/09/27/67/449092767.db2.gz WMLITAURTRDXDE-IJEWVQPXSA-N 1 0 345.399 1.577 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000590012827 449098078 /nfs/dbraw/zinc/09/80/78/449098078.db2.gz ZFXUMGXFKWYZIS-XJKSGUPXSA-N 1 0 330.388 1.120 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c1 ZINC000593011347 449101869 /nfs/dbraw/zinc/10/18/69/449101869.db2.gz PGBRXAYWJVORPR-PWSUYJOCSA-N 1 0 335.360 1.467 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000599900400 449105371 /nfs/dbraw/zinc/10/53/71/449105371.db2.gz RDEYCNAEYBHBOP-CALCHBBNSA-N 1 0 346.387 1.300 20 5 EDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000599923972 449110949 /nfs/dbraw/zinc/11/09/49/449110949.db2.gz MMECTGIQXBZMDZ-CALCHBBNSA-N 1 0 348.403 1.615 20 5 EDBDRO O=C(NC[C@@H]1COCC[NH2+]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599937570 449116233 /nfs/dbraw/zinc/11/62/33/449116233.db2.gz GAWVNSHIUPSLDT-CYBMUJFWSA-N 1 0 334.376 1.257 20 5 EDBDRO C[C@@H]1CC[C@@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C[NH2+]1 ZINC000599937499 449116376 /nfs/dbraw/zinc/11/63/76/449116376.db2.gz DJYIMORFZYXQCL-ZIAGYGMSSA-N 1 0 347.419 1.567 20 5 EDBDRO O=C(NC[C@H]1COCC[NH2+]1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599938148 449117217 /nfs/dbraw/zinc/11/72/17/449117217.db2.gz HJWJQRLETSEZRC-CABCVRRESA-N 1 0 348.403 1.472 20 5 EDBDRO CCN(C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000597944976 449154533 /nfs/dbraw/zinc/15/45/33/449154533.db2.gz FRIWYDODASOIEB-DOMZBBRYSA-N 1 0 348.403 1.266 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000600036696 449155874 /nfs/dbraw/zinc/15/58/74/449155874.db2.gz VZOBPXWKCRDXBQ-CYBMUJFWSA-N 1 0 348.403 1.690 20 5 EDBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000593189035 449164445 /nfs/dbraw/zinc/16/44/45/449164445.db2.gz UTMLCQKUJGFKGN-UTUOFQBUSA-N 1 0 349.387 1.919 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])cc1OC ZINC000590443727 449166214 /nfs/dbraw/zinc/16/62/14/449166214.db2.gz GLTMPWQGSBSHHF-ZWNOBZJWSA-N 1 0 335.360 1.388 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593737682 449172115 /nfs/dbraw/zinc/17/21/15/449172115.db2.gz UKXALGMVHMXHEV-GUYCJALGSA-N 1 0 332.404 1.903 20 5 EDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)C[C@H]21 ZINC000599992247 449141127 /nfs/dbraw/zinc/14/11/27/449141127.db2.gz VNPOVJMGPCKEFQ-VIKVFOODSA-N 1 0 341.371 1.413 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000597921408 449142718 /nfs/dbraw/zinc/14/27/18/449142718.db2.gz FBRDQWRFGVINMX-LLVKDONJSA-N 1 0 349.387 1.969 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000590400832 449148544 /nfs/dbraw/zinc/14/85/44/449148544.db2.gz ZKHGNIBFSYDHQA-HIFRSBDPSA-N 1 0 349.387 1.295 20 5 EDBDRO CN(CCC[NH+](C)C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000597989274 449174020 /nfs/dbraw/zinc/17/40/20/449174020.db2.gz AZGRPCRTDHDCCK-UHFFFAOYSA-N 1 0 326.372 1.347 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC3(CCOC3)CC2)c1 ZINC000611177772 449204090 /nfs/dbraw/zinc/20/40/90/449204090.db2.gz KZVXQOCFWICVEZ-HNNXBMFYSA-N 1 0 336.388 1.837 20 5 EDBDRO CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@@H]1CC[N@H+](CC)C1 ZINC000598041815 449209587 /nfs/dbraw/zinc/20/95/87/449209587.db2.gz NHNGANGGGFHKGY-CQSZACIVSA-N 1 0 337.424 1.741 20 5 EDBDRO O=[N+]([O-])c1cccc(OCCN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000595866841 449218750 /nfs/dbraw/zinc/21/87/50/449218750.db2.gz MJYBAVRWKWKPDF-MRXNPFEDSA-N 1 0 335.404 1.505 20 5 EDBDRO C[C@@H](CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)[NH+](C)C ZINC000600092721 449184450 /nfs/dbraw/zinc/18/44/50/449184450.db2.gz WWARIGKCKQAAMW-NSHDSACASA-N 1 0 349.366 1.990 20 5 EDBDRO O=C(N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000601976343 449257372 /nfs/dbraw/zinc/25/73/72/449257372.db2.gz WIDYTUKTVZFWLB-KSSFIOAISA-N 1 0 344.415 1.633 20 5 EDBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000595939093 449268278 /nfs/dbraw/zinc/26/82/78/449268278.db2.gz VIWZRZWZYQEZJT-IUODEOHRSA-N 1 0 336.392 1.185 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)[C@@H]2C1 ZINC000590767505 449287384 /nfs/dbraw/zinc/28/73/84/449287384.db2.gz GJVRWCSLSOSRNC-MLGOLLRUSA-N 1 0 341.371 1.761 20 5 EDBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000598194781 449290793 /nfs/dbraw/zinc/29/07/93/449290793.db2.gz IHKGZAWCVGUSTQ-AWEZNQCLSA-N 1 0 343.387 1.707 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC23CC(C2)C[NH2+]3)cc1OC ZINC000595983422 449297314 /nfs/dbraw/zinc/29/73/14/449297314.db2.gz DLFDLVZOGAGIJQ-UHFFFAOYSA-N 1 0 335.360 1.484 20 5 EDBDRO C[NH2+]C[C@@H](C)NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000595984094 449297515 /nfs/dbraw/zinc/29/75/15/449297515.db2.gz UVRBFGOSPGMPGV-SNVBAGLBSA-N 1 0 336.348 1.007 20 5 EDBDRO C[NH+](C)CCN1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1=O ZINC000593486353 449306323 /nfs/dbraw/zinc/30/63/23/449306323.db2.gz TXBCACXODSOPKL-UHFFFAOYSA-N 1 0 343.387 1.353 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)[C@@H]2C1 ZINC000611521637 449318208 /nfs/dbraw/zinc/31/82/08/449318208.db2.gz ONLFYBBETAFGPD-IUODEOHRSA-N 1 0 333.388 1.892 20 5 EDBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000611521803 449319117 /nfs/dbraw/zinc/31/91/17/449319117.db2.gz RYFAKTXMOVUBHT-LBPRGKRZSA-N 1 0 335.360 1.926 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2nsc3ccccc23)c1 ZINC000596064671 449344352 /nfs/dbraw/zinc/34/43/52/449344352.db2.gz GSIAUTJAINZOOI-LBPRGKRZSA-N 1 0 347.400 1.594 20 5 EDBDRO CCC(CC)[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)[NH+]1CCOCC1 ZINC000596067397 449345359 /nfs/dbraw/zinc/34/53/59/449345359.db2.gz MBUKJPPWNSQJNT-AWEZNQCLSA-N 1 0 337.424 2.121 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ncc[nH]2)nc1 ZINC000593558693 449348844 /nfs/dbraw/zinc/34/88/44/449348844.db2.gz FOWLZFZJKWUOJM-LLVKDONJSA-N 1 0 337.361 1.629 20 5 EDBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596074895 449350004 /nfs/dbraw/zinc/35/00/04/449350004.db2.gz AHEDSYDLFLSKGZ-LLVKDONJSA-N 1 0 342.421 1.529 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000594102709 449355581 /nfs/dbraw/zinc/35/55/81/449355581.db2.gz QRIDFDRVNMCOOH-JNSHFYNHSA-N 1 0 343.387 1.851 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000598341910 449356374 /nfs/dbraw/zinc/35/63/74/449356374.db2.gz IBMBZSLQKSGCRS-AWEZNQCLSA-N 1 0 343.387 1.995 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCNC1=O ZINC000590971792 449363261 /nfs/dbraw/zinc/36/32/61/449363261.db2.gz MNUMZCILFZIWNF-VXGBXAGGSA-N 1 0 334.376 1.428 20 5 EDBDRO Cc1cc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000598452866 449402094 /nfs/dbraw/zinc/40/20/94/449402094.db2.gz NBMHRMLAZKFPIB-OAHLLOKOSA-N 1 0 333.388 1.574 20 5 EDBDRO COc1c[nH+]ccc1N1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596219395 449422013 /nfs/dbraw/zinc/42/20/13/449422013.db2.gz RMZSPQJUJRNEQY-UHFFFAOYSA-N 1 0 331.332 1.426 20 5 EDBDRO Cc1nn(CCC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(C)c1[N+](=O)[O-] ZINC000594199446 449388437 /nfs/dbraw/zinc/38/84/37/449388437.db2.gz ZPPGJTJYUOGCGQ-LSDHHAIUSA-N 1 0 349.435 1.931 20 5 EDBDRO C[C@@H](NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000594211499 449391060 /nfs/dbraw/zinc/39/10/60/449391060.db2.gz DHKHIUFGJGTYFA-BYCMXARLSA-N 1 0 334.376 1.116 20 5 EDBDRO CC[NH+]1CCC(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598588648 449478222 /nfs/dbraw/zinc/47/82/22/449478222.db2.gz KQUWLDWFVDQKSX-UHFFFAOYSA-N 1 0 336.396 1.118 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC([NH+](C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000598596621 449482671 /nfs/dbraw/zinc/48/26/71/449482671.db2.gz MKBCDAZGXPICKI-UHFFFAOYSA-N 1 0 341.433 1.926 20 5 EDBDRO [NH3+]CC[C@H]1CCCCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598665225 449526854 /nfs/dbraw/zinc/52/68/54/449526854.db2.gz MWKBGKOYQIGHAD-CYBMUJFWSA-N 1 0 349.391 1.446 20 5 EDBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000594468546 449536813 /nfs/dbraw/zinc/53/68/13/449536813.db2.gz OKFPPIJAVHLYKO-CXAGYDPISA-N 1 0 341.371 2.313 20 5 EDBDRO COc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000594474614 449540088 /nfs/dbraw/zinc/54/00/88/449540088.db2.gz LOXDQJIIXJICKG-PHIMTYICSA-N 1 0 343.405 1.222 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594476709 449541881 /nfs/dbraw/zinc/54/18/81/449541881.db2.gz XLJXPIRRZKWQHP-KLPPZKSPSA-N 1 0 343.405 1.222 20 5 EDBDRO COC(=O)COc1ccc(CN[C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600778277 449545013 /nfs/dbraw/zinc/54/50/13/449545013.db2.gz XORMJITVWNBVGX-DGCLKSJQSA-N 1 0 337.376 1.377 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000598612974 449494690 /nfs/dbraw/zinc/49/46/90/449494690.db2.gz UDKGAWZNIHSAST-LLVKDONJSA-N 1 0 329.422 1.830 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCN1C[C@H](C)OC[C@H]1C ZINC000596426503 449496749 /nfs/dbraw/zinc/49/67/49/449496749.db2.gz BBIHYPYZUQHAGY-NEPJUHHUSA-N 1 0 336.392 1.476 20 5 EDBDRO COC(=O)c1cc(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cc([N+](=O)[O-])c1 ZINC000594425949 449510236 /nfs/dbraw/zinc/51/02/36/449510236.db2.gz BQPCAVCMOBVZQQ-XJKSGUPXSA-N 1 0 333.344 1.710 20 5 EDBDRO CC[C@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000596456985 449512175 /nfs/dbraw/zinc/51/21/75/449512175.db2.gz YUGXFIHBOCZLRD-KKUMJFAQSA-N 1 0 336.392 1.362 20 5 EDBDRO C[NH2+][C@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000602421942 449575207 /nfs/dbraw/zinc/57/52/07/449575207.db2.gz QLQVAFJMGHPZNX-JTQLQIEISA-N 1 0 333.323 1.354 20 5 EDBDRO Cc1ccc(NC(=O)NCCN(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000596626542 449576687 /nfs/dbraw/zinc/57/66/87/449576687.db2.gz OQUVRGQOWOQYMY-UHFFFAOYSA-N 1 0 337.424 1.908 20 5 EDBDRO CN(CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])S(C)(=O)=O ZINC000594494680 449557000 /nfs/dbraw/zinc/55/70/00/449557000.db2.gz QTUVELVWAUPMIP-CYBMUJFWSA-N 1 0 327.406 1.453 20 5 EDBDRO CC[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000594496862 449557053 /nfs/dbraw/zinc/55/70/53/449557053.db2.gz XXTPODUIRCGYTM-CABCVRRESA-N 1 0 333.388 1.809 20 5 EDBDRO CN(CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])S(C)(=O)=O ZINC000594494681 449557131 /nfs/dbraw/zinc/55/71/31/449557131.db2.gz QTUVELVWAUPMIP-ZDUSSCGKSA-N 1 0 327.406 1.453 20 5 EDBDRO Cn1nnc2c1CC[C@H]([NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C2 ZINC000594521108 449561093 /nfs/dbraw/zinc/56/10/93/449561093.db2.gz LWBBJCLPBLFLNT-SLEUVZQESA-N 1 0 345.407 1.551 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(N3CCC[C@@H]([NH+]4CCOCC4)CC3)nn21 ZINC000594601669 449590686 /nfs/dbraw/zinc/59/06/86/449590686.db2.gz YRSQQSBMACQGRH-CYBMUJFWSA-N 1 0 346.391 1.329 20 5 EDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000602490664 449629821 /nfs/dbraw/zinc/62/98/21/449629821.db2.gz CVFCRUXLLBTZCE-WDEREUQCSA-N 1 0 347.350 1.742 20 5 EDBDRO COC(=O)COc1ccc(CNCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000594739234 449659617 /nfs/dbraw/zinc/65/96/17/449659617.db2.gz POYBHYCYBNIGFX-UHFFFAOYSA-N 1 0 337.376 1.508 20 5 EDBDRO Cn1c(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000602540294 449661782 /nfs/dbraw/zinc/66/17/82/449661782.db2.gz LFEDWAQYAJFJIE-DTWKUNHWSA-N 1 0 334.298 1.533 20 5 EDBDRO C[NH2+]CCOCCN(C)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000602546618 449666573 /nfs/dbraw/zinc/66/65/73/449666573.db2.gz DKMFAMRTGQTXHU-UHFFFAOYSA-N 1 0 327.406 1.625 20 5 EDBDRO O=[N+]([O-])c1cccnc1S(=O)(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000594769645 449683095 /nfs/dbraw/zinc/68/30/95/449683095.db2.gz IZWLGWNEAPIRAN-UHFFFAOYSA-N 1 0 340.405 1.143 20 5 EDBDRO C[C@H](C[NH+]1CCN(C)CC1)Nc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601112742 449696947 /nfs/dbraw/zinc/69/69/47/449696947.db2.gz CHROLBBUAIRKEE-CYBMUJFWSA-N 1 0 329.404 1.613 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000596880794 449702884 /nfs/dbraw/zinc/70/28/84/449702884.db2.gz HTYUTFRPJMSPGX-ZDUSSCGKSA-N 1 0 348.403 1.852 20 5 EDBDRO NS(=O)(=O)C[C@H]1CCCN1c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599061600 449714318 /nfs/dbraw/zinc/71/43/18/449714318.db2.gz DPBMZKBKWDVSTM-LLVKDONJSA-N 1 0 336.373 1.400 20 5 EDBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602590942 449690418 /nfs/dbraw/zinc/69/04/18/449690418.db2.gz LSPXMIYZFCJFPA-BETUJISGSA-N 1 0 327.344 1.357 20 5 EDBDRO COc1ccc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000594951924 449817468 /nfs/dbraw/zinc/81/74/68/449817468.db2.gz OCFLWGUSQHKSCF-UHFFFAOYSA-N 1 0 342.417 1.908 20 5 EDBDRO CCS(=O)(=O)C1(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000594992467 449833617 /nfs/dbraw/zinc/83/36/17/449833617.db2.gz FJTKGNYQHKUAPW-UHFFFAOYSA-N 1 0 328.390 1.660 20 5 EDBDRO COc1cc(CN2C[C@@H]3C[C@H]2C[NH2+]3)c([N+](=O)[O-])cc1OC(F)F ZINC000601327294 449835379 /nfs/dbraw/zinc/83/53/79/449835379.db2.gz OFCOCBCYSSZPCK-UWVGGRQHSA-N 1 0 329.303 1.751 20 5 EDBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CN(C)CCO1 ZINC000612616843 449801128 /nfs/dbraw/zinc/80/11/28/449801128.db2.gz OJZHKEBJOVEHDK-NOZJJQNGSA-N 1 0 326.328 1.575 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)nc1 ZINC000595108733 449873104 /nfs/dbraw/zinc/87/31/04/449873104.db2.gz QGFAHRTULXGRCU-DGCLKSJQSA-N 1 0 340.405 1.143 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)nc1 ZINC000595109909 449874074 /nfs/dbraw/zinc/87/40/74/449874074.db2.gz XGFCHUHYTNXLMU-WCQYABFASA-N 1 0 340.405 1.143 20 5 EDBDRO CO[C@]1(C(F)(F)F)CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000614923450 449878825 /nfs/dbraw/zinc/87/88/25/449878825.db2.gz AIUIVQLFFKPHKO-CYBMUJFWSA-N 1 0 349.309 1.800 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595120632 449881001 /nfs/dbraw/zinc/88/10/01/449881001.db2.gz JQPXRPMTOPRNHK-CYBMUJFWSA-N 1 0 329.422 1.809 20 5 EDBDRO C[N@H+](CCO)C1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601377394 449892220 /nfs/dbraw/zinc/89/22/20/449892220.db2.gz GBAPJKFSTMXULJ-UHFFFAOYSA-N 1 0 325.340 1.263 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])s1 ZINC000601342572 449851036 /nfs/dbraw/zinc/85/10/36/449851036.db2.gz YOGNRZKKOPFRAD-VHSXEESVSA-N 1 0 331.419 1.337 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601344139 449853617 /nfs/dbraw/zinc/85/36/17/449853617.db2.gz UOJKALYTOJHGTG-UWVGGRQHSA-N 1 0 331.369 1.413 20 5 EDBDRO COC[C@@](C)(CO)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000602933858 449933668 /nfs/dbraw/zinc/93/36/68/449933668.db2.gz YTWQDMWMXNBCSR-GFCCVEGCSA-N 1 0 333.182 1.844 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c1 ZINC000601420663 449936815 /nfs/dbraw/zinc/93/68/15/449936815.db2.gz FCHOOJUSKBXODN-QWHCGFSZSA-N 1 0 341.433 1.925 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000595195093 449937047 /nfs/dbraw/zinc/93/70/47/449937047.db2.gz ZBJDMJAIYXPJHD-CYBMUJFWSA-N 1 0 348.403 1.751 20 5 EDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])C1 ZINC000602953600 449955611 /nfs/dbraw/zinc/95/56/11/449955611.db2.gz BHNREBVMGVTUCK-CYBMUJFWSA-N 1 0 335.408 1.916 20 5 EDBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000608960013 449953359 /nfs/dbraw/zinc/95/33/59/449953359.db2.gz UCSPKSYJOCILNL-NWDGAFQWSA-N 1 0 347.371 1.723 20 5 EDBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601401209 449917447 /nfs/dbraw/zinc/91/74/47/449917447.db2.gz IWTNCAXSHRUBTL-UHFFFAOYSA-N 1 0 335.451 1.927 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000599413006 449957909 /nfs/dbraw/zinc/95/79/09/449957909.db2.gz RETLWGPMIFRVBF-CYBMUJFWSA-N 1 0 341.433 1.913 20 5 EDBDRO CC(C)[N@H+](C)C[C@H](O)CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962809 449964546 /nfs/dbraw/zinc/96/45/46/449964546.db2.gz PCWCMIWQJTVBIM-HZPDHXFCSA-N 1 0 325.409 1.093 20 5 EDBDRO COc1ccc(OCC[N@H+]2C[C@H](OC)C[C@]2(C)CO)c([N+](=O)[O-])c1 ZINC000602964006 449966108 /nfs/dbraw/zinc/96/61/08/449966108.db2.gz LTIZFPBXMGJDDU-CZUORRHYSA-N 1 0 340.376 1.454 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000595268772 449989128 /nfs/dbraw/zinc/98/91/28/449989128.db2.gz KQSNCRLISFVSAA-ZIAGYGMSSA-N 1 0 347.350 1.192 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609387939 450022880 /nfs/dbraw/zinc/02/28/80/450022880.db2.gz PSMZGWQSVSWOHO-ZDUSSCGKSA-N 1 0 339.417 1.666 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000615293327 450050483 /nfs/dbraw/zinc/05/04/83/450050483.db2.gz FRLUZWWPCFTDCZ-ZIAGYGMSSA-N 1 0 327.406 1.497 20 5 EDBDRO CNc1ccc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000597574639 450117733 /nfs/dbraw/zinc/11/77/33/450117733.db2.gz RLLNLENGRGFNIM-INIZCTEOSA-N 1 0 336.392 1.165 20 5 EDBDRO CN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599641064 450122451 /nfs/dbraw/zinc/12/24/51/450122451.db2.gz ZEGDVRAACGHOLX-SUMWQHHRSA-N 1 0 333.388 1.652 20 5 EDBDRO C[N@H+](Cc1cn(CCn2ccc([N+](=O)[O-])n2)nn1)C1CCCCC1 ZINC000603217941 450151276 /nfs/dbraw/zinc/15/12/76/450151276.db2.gz FJZMNMJVFFBPTA-UHFFFAOYSA-N 1 0 333.396 1.848 20 5 EDBDRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000599694767 450159030 /nfs/dbraw/zinc/15/90/30/450159030.db2.gz URWHLFXRSCQORK-ZDUSSCGKSA-N 1 0 327.406 1.356 20 5 EDBDRO COc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000597693129 450200753 /nfs/dbraw/zinc/20/07/53/450200753.db2.gz BHAWDWUDVCPVKZ-DZGCQCFKSA-N 1 0 349.387 1.539 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000597702185 450207341 /nfs/dbraw/zinc/20/73/41/450207341.db2.gz YRCPUTUNEIRWSY-SKDRFNHKSA-N 1 0 325.340 1.907 20 5 EDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC1CS(=O)(=O)C1 ZINC000615761598 450224918 /nfs/dbraw/zinc/22/49/18/450224918.db2.gz QZRWPMDEHMZGNG-GFCCVEGCSA-N 1 0 326.418 1.940 20 5 EDBDRO Cc1cc(NC[C@@H]2CSCC[NH2+]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000603419395 450292700 /nfs/dbraw/zinc/29/27/00/450292700.db2.gz NPINHWHPLLUKAU-CYBMUJFWSA-N 1 0 345.428 1.899 20 5 EDBDRO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000603431754 450300274 /nfs/dbraw/zinc/30/02/74/450300274.db2.gz YQYUAMQTYPIMNF-CQSZACIVSA-N 1 0 331.376 1.483 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000619481597 450485510 /nfs/dbraw/zinc/48/55/10/450485510.db2.gz KNJLJDOJCPDZQF-JTQLQIEISA-N 1 0 343.405 1.364 20 5 EDBDRO CC[C@]1([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000616865986 450504439 /nfs/dbraw/zinc/50/44/39/450504439.db2.gz FRHVHKFFFINBQZ-AWEZNQCLSA-N 1 0 328.390 1.527 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000187349808 528538273 /nfs/dbraw/zinc/53/82/73/528538273.db2.gz XIKJOPGPDIYWFG-CYBMUJFWSA-N 1 0 338.408 1.578 20 5 EDBDRO C[NH+](C)CCn1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000270247716 535934062 /nfs/dbraw/zinc/93/40/62/535934062.db2.gz QCIZNGUELFJIEC-UHFFFAOYSA-N 1 0 330.344 1.570 20 5 EDBDRO COc1cc(C(=O)N2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000237243012 536888562 /nfs/dbraw/zinc/88/85/62/536888562.db2.gz NGSAQNMEYMYXKF-MRVPVSSYSA-N 1 0 345.302 1.639 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1 ZINC000743258941 579474239 /nfs/dbraw/zinc/47/42/39/579474239.db2.gz OYAZJMOIRKPNON-KGLIPLIRSA-N 1 0 340.767 1.129 20 5 EDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729498504 578577084 /nfs/dbraw/zinc/57/70/84/578577084.db2.gz OXJSHFYRDFSRNW-CABCVRRESA-N 1 0 334.376 1.257 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000731184748 578670342 /nfs/dbraw/zinc/67/03/42/578670342.db2.gz LZXBWCWLHLUBJP-GFCCVEGCSA-N 1 0 343.387 1.545 20 5 EDBDRO CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732034707 578687813 /nfs/dbraw/zinc/68/78/13/578687813.db2.gz GOFXYPQFNNEBMR-LBPRGKRZSA-N 1 0 337.351 1.808 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[NH+](C2CCC2)CC1 ZINC000733276830 578755796 /nfs/dbraw/zinc/75/57/96/578755796.db2.gz XRDJZDYHWFTYTE-UHFFFAOYSA-N 1 0 337.351 1.809 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@H+](C)[C@H](C)C1 ZINC000761066799 580045983 /nfs/dbraw/zinc/04/59/83/580045983.db2.gz BZZZRBIDBQKYKP-GFCCVEGCSA-N 1 0 336.392 1.568 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@H+](C)[C@@H](C)C1 ZINC000761066800 580045988 /nfs/dbraw/zinc/04/59/88/580045988.db2.gz BZZZRBIDBQKYKP-LBPRGKRZSA-N 1 0 336.392 1.568 20 5 EDBDRO C[N@@H+](Cc1cccc(C(N)=O)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750041854 579749559 /nfs/dbraw/zinc/74/95/59/579749559.db2.gz XLCXXLVWFCCDBM-MRXNPFEDSA-N 1 0 329.356 1.859 20 5 EDBDRO COC1CC[NH+](CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000751059146 579793032 /nfs/dbraw/zinc/79/30/32/579793032.db2.gz VVPCJNVZUYBUAN-UHFFFAOYSA-N 1 0 325.340 1.575 20 5 EDBDRO C/C(=C/C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000752599016 579862116 /nfs/dbraw/zinc/86/21/16/579862116.db2.gz DVMRSUABFNPLMW-IFCKCIONSA-N 1 0 347.415 1.961 20 5 EDBDRO COC(=O)C[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000754517394 579905115 /nfs/dbraw/zinc/90/51/15/579905115.db2.gz CUVLGLQHXJWRRU-YGRLFVJLSA-N 1 0 335.360 1.853 20 5 EDBDRO C[C@@H](Cn1ccnc1)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778235462 580459581 /nfs/dbraw/zinc/45/95/81/580459581.db2.gz PGPODKVCHOEOOC-QMMMGPOBSA-N 1 0 332.345 1.615 20 5 EDBDRO O=[N+]([O-])c1cc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)cs1 ZINC000768817376 580221133 /nfs/dbraw/zinc/22/11/33/580221133.db2.gz NLHSDRCESGSKIE-UHFFFAOYSA-N 1 0 345.446 1.809 20 5 EDBDRO CC(C)[NH+]1CCC(N2CCN(Cn3nccc3[N+](=O)[O-])CC2)CC1 ZINC000771172718 580281725 /nfs/dbraw/zinc/28/17/25/580281725.db2.gz DUXDLFZQXRXPLZ-UHFFFAOYSA-N 1 0 336.440 1.239 20 5 EDBDRO C[NH+]1CCC(ONC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000773549173 580340604 /nfs/dbraw/zinc/34/06/04/580340604.db2.gz IUABMXCLAFAHJH-UHFFFAOYSA-N 1 0 345.359 1.536 20 5 EDBDRO O=C(NC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000776277455 580413774 /nfs/dbraw/zinc/41/37/74/580413774.db2.gz PQBHBWXUKDHPER-MRXNPFEDSA-N 1 0 333.388 1.619 20 5 EDBDRO C[N@H+](CCCO)C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776584314 580422293 /nfs/dbraw/zinc/42/22/93/580422293.db2.gz LCDKLFPYMPURIM-QGZVFWFLSA-N 1 0 337.420 1.407 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCn3cncn3)CC2)cc1 ZINC000776976364 580432050 /nfs/dbraw/zinc/43/20/50/580432050.db2.gz XNRHXKHUPBBGQT-UHFFFAOYSA-N 1 0 330.392 1.835 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@H+]2CCC[C@H]2C)cc1C ZINC000780867545 580535968 /nfs/dbraw/zinc/53/59/68/580535968.db2.gz MYVUTDRFLFFZDR-CYBMUJFWSA-N 1 0 341.433 1.974 20 5 EDBDRO COc1ccccc1[C@@H](CO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782067513 580565397 /nfs/dbraw/zinc/56/53/97/580565397.db2.gz JWLCQCWRCINILU-CVEARBPZSA-N 1 0 332.356 1.960 20 5 EDBDRO O=C1COc2cc([N+](=O)[O-])c(NCC[N@@H+]3CCCOCC3)cc2N1 ZINC000782417739 580574610 /nfs/dbraw/zinc/57/46/10/580574610.db2.gz GWBZCRAMDWQJPI-UHFFFAOYSA-N 1 0 336.348 1.060 20 5 EDBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)NS(C)(=O)=O ZINC000783621102 580602532 /nfs/dbraw/zinc/60/25/32/580602532.db2.gz YOTZLRHPBXRZGD-UHFFFAOYSA-N 1 0 335.813 1.666 20 5 EDBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000787105488 580687545 /nfs/dbraw/zinc/68/75/45/580687545.db2.gz MISVBAWUKJXECU-ZDUSSCGKSA-N 1 0 332.404 1.981 20 5 EDBDRO CCS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000788427872 580721193 /nfs/dbraw/zinc/72/11/93/580721193.db2.gz AQQSFOVVSFMQEU-VXGBXAGGSA-N 1 0 330.410 1.299 20 5 EDBDRO CNc1c(C(=O)OC[C@H]2C[N@@H+](C(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000793206360 580838575 /nfs/dbraw/zinc/83/85/75/580838575.db2.gz VPPIXYXFDPWPEX-GFCCVEGCSA-N 1 0 337.376 1.903 20 5 EDBDRO O=c1oc2cccc([N+](=O)[O-])c2n1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000794625841 580900179 /nfs/dbraw/zinc/90/01/79/580900179.db2.gz BVBGDSMQYGZMFY-LBPRGKRZSA-N 1 0 332.360 1.630 20 5 EDBDRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000795691046 580934053 /nfs/dbraw/zinc/93/40/53/580934053.db2.gz LGXSETXERWMZLD-BBRMVZONSA-N 1 0 345.403 1.697 20 5 EDBDRO Cc1c(CNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cccc1[N+](=O)[O-] ZINC000891850060 590653360 /nfs/dbraw/zinc/65/33/60/590653360.db2.gz XRGAFJROKFFNOK-LBPRGKRZSA-N 1 0 342.346 1.947 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888986739 590958778 /nfs/dbraw/zinc/95/87/78/590958778.db2.gz RVDCXAYGEYUPNC-CCEZHUSRSA-N 1 0 346.431 1.704 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1C ZINC000892368101 590995418 /nfs/dbraw/zinc/99/54/18/590995418.db2.gz YBVVPASHQHUDOY-UHFFFAOYSA-N 1 0 348.403 1.058 20 5 EDBDRO COc1cc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])cc1C ZINC000897218485 591773257 /nfs/dbraw/zinc/77/32/57/591773257.db2.gz DFZUVDOSCOEWCZ-ZIAGYGMSSA-N 1 0 335.404 1.947 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@H]4[C@H]3CCC[N@H+]4CCO)nc2c1 ZINC000897220644 591775750 /nfs/dbraw/zinc/77/57/50/591775750.db2.gz CRQCWSOTOMQSLS-LSDHHAIUSA-N 1 0 331.376 1.507 20 5 EDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000899946017 591834491 /nfs/dbraw/zinc/83/44/91/591834491.db2.gz ZEYDNGPUFISLEA-OAHLLOKOSA-N 1 0 343.387 1.664 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3COC[C@H]3C3CC3)CC2)cn1 ZINC000898377251 591899139 /nfs/dbraw/zinc/89/91/39/591899139.db2.gz SVFGAWKHWFLIOQ-HOTGVXAUSA-N 1 0 332.404 1.973 20 5 EDBDRO [NH3+]CC[C@H]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000900375641 592000817 /nfs/dbraw/zinc/00/08/17/592000817.db2.gz MKGVJHNQWQAZCS-AWEZNQCLSA-N 1 0 334.420 1.602 20 5 EDBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCc3nnn(C)c3C2)cc([N+](=O)[O-])c1 ZINC000903224850 592136523 /nfs/dbraw/zinc/13/65/23/592136523.db2.gz BUQFNHLHKXNONU-CMPLNLGQSA-N 1 0 331.376 1.940 20 5 EDBDRO CC[C@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000903368715 592161788 /nfs/dbraw/zinc/16/17/88/592161788.db2.gz PUNCAMDCMXNLAZ-GJZGRUSLSA-N 1 0 342.417 1.839 20 5 EDBDRO CCN([C@H]1CCC[NH2+]CC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000905348815 592502379 /nfs/dbraw/zinc/50/23/79/592502379.db2.gz XWPCHIWFCDJHIH-JTQLQIEISA-N 1 0 333.435 1.809 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2CCC3(COC3)CC2)c1 ZINC000905453085 592530822 /nfs/dbraw/zinc/53/08/22/592530822.db2.gz NOSFFDMPADKQBG-OAHLLOKOSA-N 1 0 336.388 1.883 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC000908573116 592544200 /nfs/dbraw/zinc/54/42/00/592544200.db2.gz GPVLWGGYMJGKKN-UHFFFAOYSA-N 1 0 349.435 1.967 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000905701995 592615850 /nfs/dbraw/zinc/61/58/50/592615850.db2.gz BXQRLOVQXMUWGE-GASCZTMLSA-N 1 0 348.451 1.525 20 5 EDBDRO Cc1nn(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000905695909 592626104 /nfs/dbraw/zinc/62/61/04/592626104.db2.gz KPMFPEKBQQTGEK-LLVKDONJSA-N 1 0 333.348 1.300 20 5 EDBDRO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H](O)C3(O)CCCC3)CC2)c1 ZINC000905910949 592691844 /nfs/dbraw/zinc/69/18/44/592691844.db2.gz DHTBANRDVWXFIE-INIZCTEOSA-N 1 0 335.404 1.383 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC12CC[NH+](C)CC2 ZINC000907852062 592814432 /nfs/dbraw/zinc/81/44/32/592814432.db2.gz WOXFORYNJXQNOL-UHFFFAOYSA-N 1 0 339.417 1.762 20 5 EDBDRO C[C@@H](C[NH3+])NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000834608639 592916607 /nfs/dbraw/zinc/91/66/07/592916607.db2.gz JZBWTYMOYAULLO-LURJTMIESA-N 1 0 349.128 1.276 20 5 EDBDRO C[NH+](C)CC1CCN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000738076511 593079254 /nfs/dbraw/zinc/07/92/54/593079254.db2.gz MPHPKWOUAGPXFN-UHFFFAOYSA-N 1 0 346.387 1.422 20 5 EDBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000808783001 593287852 /nfs/dbraw/zinc/28/78/52/593287852.db2.gz HSGXROROEOARFD-LEUOFYLZSA-N 1 0 347.415 1.865 20 5 EDBDRO CO[C@H]1CCCN(CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000839988362 593298707 /nfs/dbraw/zinc/29/87/07/593298707.db2.gz NNJHTAAPGZIYQA-GOEBONIOSA-N 1 0 335.360 1.600 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OCCn2ccc([N+](=O)[O-])n2)C1 ZINC000811448057 593470830 /nfs/dbraw/zinc/47/08/30/593470830.db2.gz SHJCBXNWLMVTCO-AWEZNQCLSA-N 1 0 328.344 1.547 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCCCS2(=O)=O)cc1 ZINC000819221752 593745135 /nfs/dbraw/zinc/74/51/35/593745135.db2.gz NSYVKNVMBQBWEF-KGLIPLIRSA-N 1 0 328.390 1.185 20 5 EDBDRO C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000819265891 593747676 /nfs/dbraw/zinc/74/76/76/593747676.db2.gz UBQXCNDDRDKMBY-PBHICJAKSA-N 1 0 337.420 1.719 20 5 EDBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1(S(C)(=O)=O)CC1 ZINC000819304909 593749585 /nfs/dbraw/zinc/74/95/85/593749585.db2.gz KILMPRFFRIRMEV-GWCFXTLKSA-N 1 0 328.390 1.184 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CC[C@H]21 ZINC000821625106 593885978 /nfs/dbraw/zinc/88/59/78/593885978.db2.gz FWMKIMYPCVTROE-SMDDNHRTSA-N 1 0 343.391 1.695 20 5 EDBDRO Nc1ccc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000824008067 593906591 /nfs/dbraw/zinc/90/65/91/593906591.db2.gz DDTSQARVKJFRRU-UHFFFAOYSA-N 1 0 342.359 1.926 20 5 EDBDRO Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc4c(c3)C[NH2+]C4)n2)n1C ZINC000823094910 594152765 /nfs/dbraw/zinc/15/27/65/594152765.db2.gz UZADBQMWKKJTAB-UHFFFAOYSA-N 1 0 326.316 1.957 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1[C@H](C)CCC[C@H]1CC[NH+](C)C ZINC000825586097 594203484 /nfs/dbraw/zinc/20/34/84/594203484.db2.gz FYRQEWVGIRKBNE-OCCSQVGLSA-N 1 0 337.424 1.821 20 5 EDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000823619902 594221977 /nfs/dbraw/zinc/22/19/77/594221977.db2.gz CUGCUYXMIUARNP-LLVKDONJSA-N 1 0 344.379 1.235 20 5 EDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826635612 594544749 /nfs/dbraw/zinc/54/47/49/594544749.db2.gz QWMVIFFYVHYZED-XJKSGUPXSA-N 1 0 335.404 1.819 20 5 EDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc([N+](=O)[O-])cc1Cl ZINC000826678035 594553223 /nfs/dbraw/zinc/55/32/23/594553223.db2.gz USVVEGSJFDXJLB-JTQLQIEISA-N 1 0 326.784 1.804 20 5 EDBDRO [NH3+]CCCCCCNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000831281245 594598806 /nfs/dbraw/zinc/59/88/06/594598806.db2.gz QITFMBSWOGTVKE-UHFFFAOYSA-N 1 0 338.412 1.657 20 5 EDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826938166 594605686 /nfs/dbraw/zinc/60/56/86/594605686.db2.gz RXXVXCCRDQRDFO-KBMXLJTQSA-N 1 0 333.388 1.713 20 5 EDBDRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000829573382 594643086 /nfs/dbraw/zinc/64/30/86/594643086.db2.gz XRUWIPGSASZZFL-UHFFFAOYSA-N 1 0 337.424 1.618 20 5 EDBDRO CCCN(CC[NH+](C)C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000104531414 594967894 /nfs/dbraw/zinc/96/78/94/594967894.db2.gz YNRPEUXEHLSIEK-UHFFFAOYSA-N 1 0 327.356 1.913 20 5 EDBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000845672714 595041967 /nfs/dbraw/zinc/04/19/67/595041967.db2.gz MJHYVJGKIWTYGK-LBPRGKRZSA-N 1 0 332.360 1.972 20 5 EDBDRO C[NH2+]C[C@@H](C)c1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1 ZINC000843224906 595043452 /nfs/dbraw/zinc/04/34/52/595043452.db2.gz ALXPYHGULMNXEY-SECBINFHSA-N 1 0 336.348 1.909 20 5 EDBDRO C[NH+](C)CC(C)(C)NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000837239538 595064842 /nfs/dbraw/zinc/06/48/42/595064842.db2.gz USYYVMXMKXOKSR-CQSZACIVSA-N 1 0 334.376 1.544 20 5 EDBDRO CN(C)c1cc(F)c(C(=O)NC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000837245343 595065353 /nfs/dbraw/zinc/06/53/53/595065353.db2.gz GKEVBSXEBUGHCE-UHFFFAOYSA-N 1 0 326.372 1.870 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000843356365 595086166 /nfs/dbraw/zinc/08/61/66/595086166.db2.gz VPTCAEIUPXNQBS-NOZJJQNGSA-N 1 0 342.783 1.235 20 5 EDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843427587 595107716 /nfs/dbraw/zinc/10/77/16/595107716.db2.gz AGAGDZDJISDHBR-NSHDSACASA-N 1 0 340.811 1.800 20 5 EDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843428567 595108958 /nfs/dbraw/zinc/10/89/58/595108958.db2.gz KQNZEIHCICHIRZ-NSHDSACASA-N 1 0 340.811 1.800 20 5 EDBDRO C[C@@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000842474138 595114314 /nfs/dbraw/zinc/11/43/14/595114314.db2.gz GNGQCHWVWRVKQB-ZJUUUORDSA-N 1 0 326.784 1.869 20 5 EDBDRO [NH3+]C[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCCO1 ZINC000842479437 595116360 /nfs/dbraw/zinc/11/63/60/595116360.db2.gz SJFQSNCUNKSHAU-LBPRGKRZSA-N 1 0 340.355 1.112 20 5 EDBDRO C[NH2+]CCC1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000834426301 595119855 /nfs/dbraw/zinc/11/98/55/595119855.db2.gz OABNVKMKTUTDQO-UHFFFAOYSA-N 1 0 345.403 1.793 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[N@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000843809814 595191716 /nfs/dbraw/zinc/19/17/16/595191716.db2.gz ARHQJVAKVDQZHX-JTQLQIEISA-N 1 0 336.348 1.883 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000842790038 595199864 /nfs/dbraw/zinc/19/98/64/595199864.db2.gz BXCAMPOHMDVHDK-VHSXEESVSA-N 1 0 347.824 1.914 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC[C@H]1[NH3+] ZINC000842798329 595202769 /nfs/dbraw/zinc/20/27/69/595202769.db2.gz PZSNFZOJCDBQKH-CMPLNLGQSA-N 1 0 343.405 1.351 20 5 EDBDRO COC[C@]1(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000834763682 595206582 /nfs/dbraw/zinc/20/65/82/595206582.db2.gz DTWJROQTHITRKJ-CQSZACIVSA-N 1 0 327.768 1.747 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000842836588 595213415 /nfs/dbraw/zinc/21/34/15/595213415.db2.gz SSJIUKHAEZUCHS-NXEZZACHSA-N 1 0 347.824 1.928 20 5 EDBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)CCCO2 ZINC000852782807 595541037 /nfs/dbraw/zinc/54/10/37/595541037.db2.gz TXDUDVGKPPGNLN-WBMJQRKESA-N 1 0 346.387 1.828 20 5 EDBDRO CC[N@H+](CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C(C)C ZINC000112928550 595571152 /nfs/dbraw/zinc/57/11/52/595571152.db2.gz JZYOKGQFXHFTBS-UHFFFAOYSA-N 1 0 337.376 1.633 20 5 EDBDRO [NH3+]C[C@@H]1CCCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857764013 595599737 /nfs/dbraw/zinc/59/97/37/595599737.db2.gz DMIYTLOWCOHHOY-JTQLQIEISA-N 1 0 329.303 1.764 20 5 EDBDRO C[C@H]1CN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000857764782 595599831 /nfs/dbraw/zinc/59/98/31/595599831.db2.gz AKBFCBKLUZJWEP-JOYOIKCWSA-N 1 0 329.303 1.762 20 5 EDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000853645992 595845434 /nfs/dbraw/zinc/84/54/34/595845434.db2.gz LARIGCIONXGOBR-JQWIXIFHSA-N 1 0 327.406 1.527 20 5 EDBDRO Cc1c(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000851649026 595868104 /nfs/dbraw/zinc/86/81/04/595868104.db2.gz SKWHRNOZFAJDKY-GHMZBOCLSA-N 1 0 340.311 1.631 20 5 EDBDRO CN(CCC[NH+](C)C)CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000853800061 595884417 /nfs/dbraw/zinc/88/44/17/595884417.db2.gz YRIHGJPBWSMUNR-UHFFFAOYSA-N 1 0 325.369 1.798 20 5 EDBDRO C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[NH2+]1 ZINC000861524028 596013726 /nfs/dbraw/zinc/01/37/26/596013726.db2.gz QAODXSYAVVIRQJ-WCBMZHEXSA-N 1 0 340.767 1.443 20 5 EDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000854650741 596149896 /nfs/dbraw/zinc/14/98/96/596149896.db2.gz UBJSIEFDRLEIGH-GWCFXTLKSA-N 1 0 338.383 1.965 20 5 EDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000862215165 596277118 /nfs/dbraw/zinc/27/71/18/596277118.db2.gz FBRLGEXUFBZOGW-UTCJRWHESA-N 1 0 345.399 1.931 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[NH2+]CCC2(C)C)cc1[N+](=O)[O-] ZINC000866802377 596354144 /nfs/dbraw/zinc/35/41/44/596354144.db2.gz CWCMMLXVHZVKLP-UHFFFAOYSA-N 1 0 341.433 1.974 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC000866831343 596370248 /nfs/dbraw/zinc/37/02/48/596370248.db2.gz JNDQZICQPOMTHM-KBPBESRZSA-N 1 0 325.390 1.251 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866832074 596371216 /nfs/dbraw/zinc/37/12/16/596371216.db2.gz XZDFIDRIQIYTHC-CHWSQXEVSA-N 1 0 325.390 1.418 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000867815135 596566916 /nfs/dbraw/zinc/56/69/16/596566916.db2.gz XNTHYSJBQSIVRR-JSGCOSHPSA-N 1 0 339.417 1.618 20 5 EDBDRO O=[N+]([O-])c1cc(CO)c(NCCCC[NH+]2CCOCC2)cc1F ZINC000865446454 596577494 /nfs/dbraw/zinc/57/74/94/596577494.db2.gz UGYFUHCAXXYMCB-UHFFFAOYSA-N 1 0 327.356 1.751 20 5 EDBDRO O=[N+]([O-])c1cc(CO)c(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1F ZINC000865484758 596587840 /nfs/dbraw/zinc/58/78/40/596587840.db2.gz IPUSCPLUPPKLCP-RYUDHWBXSA-N 1 0 325.340 1.501 20 5 EDBDRO COC(=O)C1=CC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000863572281 596622806 /nfs/dbraw/zinc/62/28/06/596622806.db2.gz MUHSWIXVIIKJQO-CHWSQXEVSA-N 1 0 336.344 1.186 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869779055 596631267 /nfs/dbraw/zinc/63/12/67/596631267.db2.gz SLYBINHDGTWKEN-VOMSXAGXSA-N 1 0 347.415 1.960 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000871764581 596688699 /nfs/dbraw/zinc/68/86/99/596688699.db2.gz IFRWCXDCUYAVKN-UONOGXRCSA-N 1 0 332.360 1.228 20 5 EDBDRO COc1cc(F)c([N+](=O)[O-])c(N2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000865925164 596723835 /nfs/dbraw/zinc/72/38/35/596723835.db2.gz ZMGOWDBMXDODHP-OAHLLOKOSA-N 1 0 327.356 1.635 20 5 EDBDRO C[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000119952107 596797456 /nfs/dbraw/zinc/79/74/56/596797456.db2.gz WJQRAQTVSBBUAH-VIFPVBQESA-N 1 0 335.451 1.911 20 5 EDBDRO C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872020802 596797472 /nfs/dbraw/zinc/79/74/72/596797472.db2.gz LFMZNDALDRWUPV-JTQLQIEISA-N 1 0 345.396 1.809 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1F ZINC000866372262 596868759 /nfs/dbraw/zinc/86/87/59/596868759.db2.gz FJYSJRJHYMXIAC-UHFFFAOYSA-N 1 0 345.396 1.757 20 5 EDBDRO CC[C@H]1CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000125512424 596922256 /nfs/dbraw/zinc/92/22/56/596922256.db2.gz LCVYVUQKFRZKQK-HNNXBMFYSA-N 1 0 346.431 1.975 20 5 EDBDRO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872786522 597067254 /nfs/dbraw/zinc/06/72/54/597067254.db2.gz HVJFIFCFFGQLIJ-IJEWVQPXSA-N 1 0 331.372 1.446 20 5 EDBDRO CC[C@@H]1COCCN1CCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000874703212 597146846 /nfs/dbraw/zinc/14/68/46/597146846.db2.gz OSFSYWOQFITJFD-CYBMUJFWSA-N 1 0 337.376 1.444 20 5 EDBDRO CC[C@@H]1COCCN1CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000874702810 597146888 /nfs/dbraw/zinc/14/68/88/597146888.db2.gz KGSKAGHYFWGYCF-LLVKDONJSA-N 1 0 325.340 1.575 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO1 ZINC000876544814 597235139 /nfs/dbraw/zinc/23/51/39/597235139.db2.gz YIAUHFXXMHXSFB-MEDUHNTESA-N 1 0 329.356 1.936 20 5 EDBDRO CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000876550686 597236633 /nfs/dbraw/zinc/23/66/33/597236633.db2.gz BCQBEXQZMBKFFM-WBVHZDCISA-N 1 0 348.403 1.010 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C3CCN(C[C@H]4CCCO4)CC3)C2)c1 ZINC000877030519 597416415 /nfs/dbraw/zinc/41/64/15/597416415.db2.gz FCYOFEFCUYURJA-VMBOVVBDSA-N 1 0 349.435 1.728 20 5 EDBDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877045480 597420867 /nfs/dbraw/zinc/42/08/67/597420867.db2.gz WUDHRPSTCDWYMX-KBHBFKLGSA-N 1 0 335.408 1.731 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCc3cn4c(n3)SCC4)C2)c1 ZINC000877392205 597508186 /nfs/dbraw/zinc/50/81/86/597508186.db2.gz FTIXCDQOHZAHIW-UHFFFAOYSA-N 1 0 334.405 1.629 20 5 EDBDRO COC(=O)[C@H]1CN(Cc2c(C)ccc([N+](=O)[O-])c2C)CC[N@H+](C)C1 ZINC000877587103 597539523 /nfs/dbraw/zinc/53/95/23/597539523.db2.gz DVYSFIQUROEHIS-CQSZACIVSA-N 1 0 335.404 1.748 20 5 EDBDRO C[C@@H](CSCCF)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877830620 597560853 /nfs/dbraw/zinc/56/08/53/597560853.db2.gz JIQHPTVUYQFHQH-ZLKJLUDKSA-N 1 0 332.397 1.670 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]CCC12CCC2 ZINC000883477412 597766203 /nfs/dbraw/zinc/76/62/03/597766203.db2.gz BZMHQLHXXZXRJK-UHFFFAOYSA-N 1 0 339.417 1.810 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCCO2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000884275938 598051088 /nfs/dbraw/zinc/05/10/88/598051088.db2.gz AMBSHPNXRKIUIC-PHIMTYICSA-N 1 0 333.344 1.048 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H](C[NH3+])C2CC2)c1 ZINC000193294272 695689282 /nfs/dbraw/zinc/68/92/82/695689282.db2.gz WVLXCXZZEPCOLZ-VIFPVBQESA-N 1 0 333.797 1.572 20 5 EDBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000915625514 695958978 /nfs/dbraw/zinc/95/89/78/695958978.db2.gz XQODKDAQDKOYMM-INIZCTEOSA-N 1 0 333.388 1.968 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CC1CCN(C(=O)CC2CC2)CC1 ZINC000997464816 703674179 /nfs/dbraw/zinc/67/41/79/703674179.db2.gz BAVKQKQHKFNYEY-UHFFFAOYSA-N 1 0 335.408 1.457 20 5 EDBDRO O=C(c1cn[nH]c1)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997576242 703856943 /nfs/dbraw/zinc/85/69/43/703856943.db2.gz WOBTWZINXZOAQP-UHFFFAOYSA-N 1 0 343.387 1.960 20 5 EDBDRO CN1CCOC[C@]1(CO)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000922535846 703939155 /nfs/dbraw/zinc/93/91/55/703939155.db2.gz MORCWWNUZHSULN-CQSZACIVSA-N 1 0 329.784 1.031 20 5 EDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001005376262 708781386 /nfs/dbraw/zinc/78/13/86/708781386.db2.gz RMZSAIPQQQEQKX-HZPDHXFCSA-N 1 0 335.379 1.914 20 5 EDBDRO O=C(NC1CC[NH+](CCCC2CCOCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002787316 709393236 /nfs/dbraw/zinc/39/32/36/709393236.db2.gz IYOWSTZSAKCILJ-HZPDHXFCSA-N 1 0 339.436 1.439 20 5 EDBDRO COc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1C ZINC001002787131 709393296 /nfs/dbraw/zinc/39/32/96/709393296.db2.gz FUFHIGODVPIOCH-HZPDHXFCSA-N 1 0 347.415 1.749 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CC[C@H](NC(=O)C=C2CCC2)CC1 ZINC001034623382 710297033 /nfs/dbraw/zinc/29/70/33/710297033.db2.gz FFCMRYRERBJNDM-HDJSIYSDSA-N 1 0 347.419 1.956 20 5 EDBDRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000558035924 306235169 /nfs/dbraw/zinc/23/51/69/306235169.db2.gz SOUHHBSZRFYIAM-HNNXBMFYSA-N 1 0 339.779 1.435 20 5 EDBDRO CC[C@]1(CO)CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000187555163 529424627 /nfs/dbraw/zinc/42/46/27/529424627.db2.gz JYDWSRZHROOIQH-RDJZCZTQSA-N 1 0 338.404 1.819 20 5 EDBDRO CCc1ccc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000184317145 529608139 /nfs/dbraw/zinc/60/81/39/529608139.db2.gz UAUNCGKJTKIXKL-CQSZACIVSA-N 1 0 348.447 1.913 20 5 EDBDRO C[C@@H]1CCCN(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000558750828 306246442 /nfs/dbraw/zinc/24/64/42/306246442.db2.gz SQZSBVPPTNLBLY-GDBMZVCRSA-N 1 0 337.420 1.656 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H](C)CC[NH+](C)C)c1F ZINC000412149599 303977662 /nfs/dbraw/zinc/97/76/62/303977662.db2.gz QIDGKWSQXPAFBV-SNVBAGLBSA-N 1 0 327.356 1.741 20 5 EDBDRO CNS(=O)(=O)CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000190313833 530018138 /nfs/dbraw/zinc/01/81/38/530018138.db2.gz OSJAPMYRXKTRCH-UHFFFAOYSA-N 1 0 339.373 1.494 20 5 EDBDRO Cc1cc(C)n(CCC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000560279853 306263458 /nfs/dbraw/zinc/26/34/58/306263458.db2.gz MLMZLNOTTXGCHR-MRXNPFEDSA-N 1 0 348.403 1.828 20 5 EDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000561239448 306285332 /nfs/dbraw/zinc/28/53/32/306285332.db2.gz VYXAUSGFGQOIOC-AWEZNQCLSA-N 1 0 336.392 1.043 20 5 EDBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)CC1 ZINC000272709907 282720729 /nfs/dbraw/zinc/72/07/29/282720729.db2.gz XRKYHYBPJPYQKU-ZDUSSCGKSA-N 1 0 332.404 1.981 20 5 EDBDRO CCCNc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000562996301 306315069 /nfs/dbraw/zinc/31/50/69/306315069.db2.gz AIJNKFNUCBNGLE-INIZCTEOSA-N 1 0 333.392 1.764 20 5 EDBDRO COC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000183482348 235102602 /nfs/dbraw/zinc/10/26/02/235102602.db2.gz QQGBLVFQIXEIPY-CQSZACIVSA-N 1 0 337.376 1.947 20 5 EDBDRO COc1cc(CN(C)[C@@H]2CCC(=O)N(C)C2)c([N+](=O)[O-])cc1F ZINC000563363186 306330037 /nfs/dbraw/zinc/33/00/37/306330037.db2.gz FHYJDQUOQJRDTI-LLVKDONJSA-N 1 0 325.340 1.795 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C[C@@H]12 ZINC000185195708 235611567 /nfs/dbraw/zinc/61/15/67/235611567.db2.gz YPDSIIBTJMKLLD-OWYVNGRQSA-N 1 0 342.355 1.246 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000079047351 138259958 /nfs/dbraw/zinc/25/99/58/138259958.db2.gz CLKQZANGMGBIJJ-INIZCTEOSA-N 1 0 343.387 1.851 20 5 EDBDRO Cc1sc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000124045752 138323410 /nfs/dbraw/zinc/32/34/10/138323410.db2.gz ILEWHBKZABGPSD-NSHDSACASA-N 1 0 347.462 1.927 20 5 EDBDRO Cc1cc(Sc2nnnn2C[C@H]2CC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC000131935232 138368327 /nfs/dbraw/zinc/36/83/27/138368327.db2.gz XIJDMCWXJCAMPX-JTQLQIEISA-N 1 0 335.393 1.388 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CCNC(=O)C1 ZINC000563638652 306343426 /nfs/dbraw/zinc/34/34/26/306343426.db2.gz RWNQXBXEXHJKMQ-GXDHUFHOSA-N 1 0 332.404 1.410 20 5 EDBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCS(=O)(=O)CC1 ZINC000187164186 236134363 /nfs/dbraw/zinc/13/43/63/236134363.db2.gz YQMUSTPUZZLVCC-GFCCVEGCSA-N 1 0 326.418 1.940 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000071310244 202345809 /nfs/dbraw/zinc/34/58/09/202345809.db2.gz YLBMHDLXEHZTAQ-SECBINFHSA-N 1 0 333.797 1.539 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000564953410 306371178 /nfs/dbraw/zinc/37/11/78/306371178.db2.gz DHUQLVKPOMYCFT-CABCVRRESA-N 1 0 334.376 1.267 20 5 EDBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000565224071 306379455 /nfs/dbraw/zinc/37/94/55/306379455.db2.gz ZMJNZQLAASCCOS-UHFFFAOYSA-N 1 0 326.372 1.934 20 5 EDBDRO COc1cccc([N+](=O)[O-])c1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000565489694 306385121 /nfs/dbraw/zinc/38/51/21/306385121.db2.gz BTYHALVNJZBZSI-AWEZNQCLSA-N 1 0 348.403 1.346 20 5 EDBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000049131512 201112586 /nfs/dbraw/zinc/11/25/86/201112586.db2.gz IVXKVBXDJODQMQ-ZDUSSCGKSA-N 1 0 348.403 1.914 20 5 EDBDRO Nc1cc(N)[nH+]c(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)n1 ZINC000071834832 201171246 /nfs/dbraw/zinc/17/12/46/201171246.db2.gz JFUMNTUJCYYQIL-UHFFFAOYSA-N 1 0 345.344 1.892 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC2([NH+](C)C)CCC2)cc([N+](=O)[O-])c1F ZINC000275470177 201283152 /nfs/dbraw/zinc/28/31/52/201283152.db2.gz LPOHNUPDFQJTNR-UHFFFAOYSA-N 1 0 345.396 1.805 20 5 EDBDRO CC[NH+](CC)CCNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000154226995 201396244 /nfs/dbraw/zinc/39/62/44/201396244.db2.gz GIODIQFGKNABHM-UHFFFAOYSA-N 1 0 333.385 1.662 20 5 EDBDRO COc1cc(C[NH2+]CCC(C)(C)S(C)(=O)=O)c([N+](=O)[O-])cc1O ZINC000414516686 304121707 /nfs/dbraw/zinc/12/17/07/304121707.db2.gz PSBSOYONUPBJOX-UHFFFAOYSA-N 1 0 346.405 1.612 20 5 EDBDRO CCC[C@H]1C[NH2+]CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420243566 283984323 /nfs/dbraw/zinc/98/43/23/283984323.db2.gz XXLMYRZSUFRFSA-NSHDSACASA-N 1 0 327.406 1.577 20 5 EDBDRO COCCCN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000071118368 203086795 /nfs/dbraw/zinc/08/67/95/203086795.db2.gz QBPXIDVOPLNNFQ-OAHLLOKOSA-N 1 0 342.417 1.620 20 5 EDBDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090538844 203616701 /nfs/dbraw/zinc/61/67/01/203616701.db2.gz VJRMKCBUMQKHFM-VIFPVBQESA-N 1 0 343.185 1.429 20 5 EDBDRO C[NH+]1CCN(CCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000104211062 204101169 /nfs/dbraw/zinc/10/11/69/204101169.db2.gz IQPNSZDBXBQQPD-UHFFFAOYSA-N 1 0 345.403 1.443 20 5 EDBDRO Cc1nn(C)c(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1[N+](=O)[O-] ZINC000116125398 204521194 /nfs/dbraw/zinc/52/11/94/204521194.db2.gz YFYXIFAVRDPSQE-NSHDSACASA-N 1 0 325.413 1.733 20 5 EDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000236654193 139027669 /nfs/dbraw/zinc/02/76/69/139027669.db2.gz NLKYKNATIUQMND-NSHDSACASA-N 1 0 343.405 1.102 20 5 EDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000236661282 139027997 /nfs/dbraw/zinc/02/79/97/139027997.db2.gz OOGUKJKCOLSVDN-ZBEGNZNMSA-N 1 0 336.392 1.203 20 5 EDBDRO COc1cc(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)ccc1[N+](=O)[O-] ZINC000237087945 139040307 /nfs/dbraw/zinc/04/03/07/139040307.db2.gz HBIRCWSWJFSKEN-CQSZACIVSA-N 1 0 345.421 1.645 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000237190822 139043404 /nfs/dbraw/zinc/04/34/04/139043404.db2.gz RCVCAZNOVHOYQA-MNOVXSKESA-N 1 0 343.405 1.351 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000567409087 306450881 /nfs/dbraw/zinc/45/08/81/306450881.db2.gz QIGSJVJLPUYMSE-CHWSQXEVSA-N 1 0 339.417 1.442 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000130279342 205231146 /nfs/dbraw/zinc/23/11/46/205231146.db2.gz ONUBCDGPFMNRJV-OCCSQVGLSA-N 1 0 338.412 1.163 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CCC(CCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000132360029 205322043 /nfs/dbraw/zinc/32/20/43/205322043.db2.gz CFERFAYROMIOCI-UHFFFAOYSA-N 1 0 337.424 1.831 20 5 EDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000237894924 139063135 /nfs/dbraw/zinc/06/31/35/139063135.db2.gz WXFYJJHDAYACTP-STQMWFEESA-N 1 0 344.375 1.423 20 5 EDBDRO C[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000155812439 206037085 /nfs/dbraw/zinc/03/70/85/206037085.db2.gz VIEBSOGTKDPVNO-GFCCVEGCSA-N 1 0 343.449 1.991 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000156201306 206061797 /nfs/dbraw/zinc/06/17/97/206061797.db2.gz DTQCGELBFUACMD-OUCADQQQSA-N 1 0 348.403 1.299 20 5 EDBDRO C[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[N@@H+]1CCC[C@H](C)C1 ZINC000102331987 206302002 /nfs/dbraw/zinc/30/20/02/206302002.db2.gz BRFYSAUNASLNOH-STQMWFEESA-N 1 0 337.424 1.763 20 5 EDBDRO C[C@@]1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]C1 ZINC000160913620 206318837 /nfs/dbraw/zinc/31/88/37/206318837.db2.gz CJYQABBXTJQLNF-QGZVFWFLSA-N 1 0 333.388 1.964 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000415365555 304205029 /nfs/dbraw/zinc/20/50/29/304205029.db2.gz UPARGDHABBZLAZ-GFCCVEGCSA-N 1 0 334.376 1.306 20 5 EDBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158279317 284640319 /nfs/dbraw/zinc/64/03/19/284640319.db2.gz FTNVRKAEIGITGZ-KRWDZBQOSA-N 1 0 341.371 1.606 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248467461 139165515 /nfs/dbraw/zinc/16/55/15/139165515.db2.gz STUDXHNJTZOHLM-HOTGVXAUSA-N 1 0 349.431 1.752 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000248654297 139170471 /nfs/dbraw/zinc/17/04/71/139170471.db2.gz COPFKLNFSIYGJL-JHJVBQTASA-N 1 0 337.424 1.907 20 5 EDBDRO COC(=O)COc1ccc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000261795956 139226786 /nfs/dbraw/zinc/22/67/86/139226786.db2.gz GNUMERHJTQSZEQ-WCQYABFASA-N 1 0 337.376 1.316 20 5 EDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000261878016 139233444 /nfs/dbraw/zinc/23/34/44/139233444.db2.gz TXXRMEYYPJHYGC-VXGBXAGGSA-N 1 0 329.360 1.590 20 5 EDBDRO C[C@H]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[C@H]1C[NH3+] ZINC000262008919 139243455 /nfs/dbraw/zinc/24/34/55/139243455.db2.gz SOEXCMJDEVLTTK-LRDDRELGSA-N 1 0 343.387 1.980 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000415503412 304224979 /nfs/dbraw/zinc/22/49/79/304224979.db2.gz OGXBAZDFIPGKDM-CQSZACIVSA-N 1 0 333.392 1.415 20 5 EDBDRO COC(=O)COc1ccc(CN2CC[NH2+][C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262029451 139245131 /nfs/dbraw/zinc/24/51/31/139245131.db2.gz XBHAEAXGWRNUNO-RYUDHWBXSA-N 1 0 337.376 1.329 20 5 EDBDRO CC(C)C[C@H]([NH3+])CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000414752089 250862361 /nfs/dbraw/zinc/86/23/61/250862361.db2.gz TVTDLMMCZINNHK-LBPRGKRZSA-N 1 0 340.449 1.788 20 5 EDBDRO CC[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000262127780 139253308 /nfs/dbraw/zinc/25/33/08/139253308.db2.gz NSPKIMFRHDHUPR-ZFWWWQNUSA-N 1 0 336.392 1.262 20 5 EDBDRO CC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(OC)cc1 ZINC000174663929 207043597 /nfs/dbraw/zinc/04/35/97/207043597.db2.gz CXZJRFYEUPIIJW-GOEBONIOSA-N 1 0 334.376 1.902 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000415544627 251000041 /nfs/dbraw/zinc/00/00/41/251000041.db2.gz UOUXHDLPMRMLNV-GHMZBOCLSA-N 1 0 334.376 1.291 20 5 EDBDRO C[C@@H](NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000418774640 251428555 /nfs/dbraw/zinc/42/85/55/251428555.db2.gz DHKBJTHJTGLWAB-DGCLKSJQSA-N 1 0 334.376 1.030 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1OC(F)F ZINC000420271160 251663364 /nfs/dbraw/zinc/66/33/64/251663364.db2.gz ZQIIKWADLPYYBS-GFCCVEGCSA-N 1 0 342.346 1.680 20 5 EDBDRO CC(C)(C)[C@@H](CN)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000420357906 251697894 /nfs/dbraw/zinc/69/78/94/251697894.db2.gz ICDKJTDEVCDQKD-CQSZACIVSA-N 1 0 336.392 1.856 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000262736142 139299993 /nfs/dbraw/zinc/29/99/93/139299993.db2.gz GZVPDBCQJBCWCT-SECBINFHSA-N 1 0 333.797 1.526 20 5 EDBDRO COC(=O)c1cc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc([N+](=O)[O-])c1 ZINC000422899734 252016935 /nfs/dbraw/zinc/01/69/35/252016935.db2.gz PBFMWRGRHWYBMF-AWEZNQCLSA-N 1 0 337.376 1.827 20 5 EDBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CNCCN1C ZINC000423509199 252055805 /nfs/dbraw/zinc/05/58/05/252055805.db2.gz IXGKWKDBTJCYOL-UONOGXRCSA-N 1 0 338.477 1.959 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000423949018 252106950 /nfs/dbraw/zinc/10/69/50/252106950.db2.gz GPOYUYRNVNNFSX-ZDUSSCGKSA-N 1 0 337.376 1.875 20 5 EDBDRO Cc1nn(Cc2ccc(C(=O)N(C)CC[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000424004646 252112991 /nfs/dbraw/zinc/11/29/91/252112991.db2.gz NCCAIEPREYGLTO-UHFFFAOYSA-N 1 0 331.376 1.487 20 5 EDBDRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000424364276 252200169 /nfs/dbraw/zinc/20/01/69/252200169.db2.gz QFMKMDVQPHHGTN-ZIAGYGMSSA-N 1 0 327.406 1.327 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000424361964 252200223 /nfs/dbraw/zinc/20/02/23/252200223.db2.gz YFGPKJMYDYIVJO-GWCFXTLKSA-N 1 0 348.359 1.049 20 5 EDBDRO C[NH+](C)C[C@H]1CCc2ccccc2N1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000425627605 252307971 /nfs/dbraw/zinc/30/79/71/252307971.db2.gz OXMIOMMYOKQVGB-CYBMUJFWSA-N 1 0 344.375 1.096 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000415648432 304247149 /nfs/dbraw/zinc/24/71/49/304247149.db2.gz BWZLRYBQHPIDIS-GFCCVEGCSA-N 1 0 337.380 1.019 20 5 EDBDRO C[C@@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000178980476 296361171 /nfs/dbraw/zinc/36/11/71/296361171.db2.gz OYSJNRNVOOXUPZ-BXUZGUMPSA-N 1 0 327.406 1.781 20 5 EDBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000112364083 220314462 /nfs/dbraw/zinc/31/44/62/220314462.db2.gz GVSHYAADWDWMEA-UHFFFAOYSA-N 1 0 345.421 1.614 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](O)C2CCOCC2)n1 ZINC000570126907 306530773 /nfs/dbraw/zinc/53/07/73/306530773.db2.gz NWJVBVGEQNQRHS-RRFJBIMHSA-N 1 0 338.408 1.652 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)CCCC[NH3+] ZINC000415743642 304263579 /nfs/dbraw/zinc/26/35/79/304263579.db2.gz OLWQQAQXBYBUCN-LLVKDONJSA-N 1 0 336.392 1.784 20 5 EDBDRO Cc1nc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000450351276 254661976 /nfs/dbraw/zinc/66/19/76/254661976.db2.gz SDMOWNCMQOUJJU-KRWDZBQOSA-N 1 0 343.387 1.742 20 5 EDBDRO CC(C)OCC[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000489003394 255062149 /nfs/dbraw/zinc/06/21/49/255062149.db2.gz ADBLMFWKTDXPGP-CQSZACIVSA-N 1 0 326.397 1.604 20 5 EDBDRO CC(C)[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000488012140 255040232 /nfs/dbraw/zinc/04/02/32/255040232.db2.gz SPMDYCKYTMKUMQ-KRWDZBQOSA-N 1 0 346.431 1.756 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000490029009 255075952 /nfs/dbraw/zinc/07/59/52/255075952.db2.gz FIKUZJICEYUXJC-SECBINFHSA-N 1 0 349.384 1.219 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NCC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000494418601 255250224 /nfs/dbraw/zinc/25/02/24/255250224.db2.gz OQFUAUDIAFRUQV-UHFFFAOYSA-N 1 0 341.433 1.974 20 5 EDBDRO C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000494900369 255264289 /nfs/dbraw/zinc/26/42/89/255264289.db2.gz JJIGGCZAFWIVCT-GYSYKLTISA-N 1 0 327.406 1.507 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000415826501 304277934 /nfs/dbraw/zinc/27/79/34/304277934.db2.gz BJEUVEURUVUDOL-PWSUYJOCSA-N 1 0 334.376 1.339 20 5 EDBDRO Cc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)c1[N+](=O)[O-] ZINC000264103727 139380647 /nfs/dbraw/zinc/38/06/47/139380647.db2.gz AVAKKUOEWVUBSD-UHFFFAOYSA-N 1 0 349.366 1.969 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000420417142 291977987 /nfs/dbraw/zinc/97/79/87/291977987.db2.gz DHDQWFKDZXHKHE-CMPLNLGQSA-N 1 0 327.406 1.651 20 5 EDBDRO COc1cc(OCC(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000266150197 139517447 /nfs/dbraw/zinc/51/74/47/139517447.db2.gz HAWGFBDXAKQNOZ-BXUZGUMPSA-N 1 0 337.376 1.391 20 5 EDBDRO CS[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000270441389 140100727 /nfs/dbraw/zinc/10/07/27/140100727.db2.gz HWONDNLBSDOKPH-KBPBESRZSA-N 1 0 339.417 1.478 20 5 EDBDRO COc1cc(CCNC(=O)NCC[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000270550309 140122087 /nfs/dbraw/zinc/12/20/87/140122087.db2.gz AVPPLUHQKXUNPM-UHFFFAOYSA-N 1 0 340.380 1.015 20 5 EDBDRO C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000271428894 140294849 /nfs/dbraw/zinc/29/48/49/140294849.db2.gz RIOUHFAYEGEQPD-GFCCVEGCSA-N 1 0 331.376 1.579 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[NH+]2CCCC2)n1 ZINC000271469931 140300063 /nfs/dbraw/zinc/30/00/63/140300063.db2.gz YLCNHMCWNVTDBW-UHFFFAOYSA-N 1 0 343.387 1.854 20 5 EDBDRO COCCC[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000271509324 140304949 /nfs/dbraw/zinc/30/49/49/140304949.db2.gz SDEXKEQWVQANHS-GFCCVEGCSA-N 1 0 345.421 1.278 20 5 EDBDRO C[C@](O)(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000330377654 140843479 /nfs/dbraw/zinc/84/34/79/140843479.db2.gz FJYGUIWERWFNHI-CABZTGNLSA-N 1 0 334.298 1.789 20 5 EDBDRO C[C@@]1(CO)CCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331634572 141059702 /nfs/dbraw/zinc/05/97/02/141059702.db2.gz IXCHZCJNKCDVLI-WBVHZDCISA-N 1 0 333.388 1.625 20 5 EDBDRO C[C@@]1(CO)CCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000331659711 141063609 /nfs/dbraw/zinc/06/36/09/141063609.db2.gz OAMCXSXPUUJRJY-WBVHZDCISA-N 1 0 333.388 1.625 20 5 EDBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000332362963 141169283 /nfs/dbraw/zinc/16/92/83/141169283.db2.gz XAFKKYPXXNECIF-XNJGSVPQSA-N 1 0 347.415 1.965 20 5 EDBDRO CC[NH+]1CCC(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000339667822 142113366 /nfs/dbraw/zinc/11/33/66/142113366.db2.gz WHYCKLSWOFPONF-UHFFFAOYSA-N 1 0 348.403 1.120 20 5 EDBDRO Cc1cnc(N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000340081065 142259933 /nfs/dbraw/zinc/25/99/33/142259933.db2.gz ZYCZVRZDHDKXMV-ZDUSSCGKSA-N 1 0 337.424 1.803 20 5 EDBDRO O=[N+]([O-])c1cc2c(ncnc2NCC2CC[NH+](CCO)CC2)s1 ZINC000342217409 142698306 /nfs/dbraw/zinc/69/83/06/142698306.db2.gz FBLADJZGWNXHIQ-UHFFFAOYSA-N 1 0 337.405 1.716 20 5 EDBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000345043851 143042861 /nfs/dbraw/zinc/04/28/61/143042861.db2.gz KHTKYKFLYIOSRY-CYBMUJFWSA-N 1 0 332.404 1.981 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000345873692 143142043 /nfs/dbraw/zinc/14/20/43/143142043.db2.gz IAWUKACGZKPNGE-STQMWFEESA-N 1 0 337.424 1.869 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1-c1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000347325614 143308943 /nfs/dbraw/zinc/30/89/43/143308943.db2.gz HEKSMXIFOUQBJE-HZMBPMFUSA-N 1 0 334.336 1.304 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CSc3ccccc32)c1 ZINC000572870657 306601981 /nfs/dbraw/zinc/60/19/81/306601981.db2.gz YISKPYCVZXWQGW-AAEUAGOBSA-N 1 0 334.401 1.631 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000352581587 149073344 /nfs/dbraw/zinc/07/33/44/149073344.db2.gz XITVEBRUTTVCQK-UHFFFAOYSA-N 1 0 336.392 1.497 20 5 EDBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)[C@@H]1COC[C@@H]1O ZINC000352817036 149178611 /nfs/dbraw/zinc/17/86/11/149178611.db2.gz QGGXCGPFELMCEZ-WQAKAFBOSA-N 1 0 334.332 1.397 20 5 EDBDRO Cc1c(Br)c(=O)n(C[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000352916803 149214915 /nfs/dbraw/zinc/21/49/15/149214915.db2.gz SDHYLDJQZYFSRQ-SECBINFHSA-N 1 0 330.182 1.779 20 5 EDBDRO CC(C)[C@@H]1CC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000353403323 149393034 /nfs/dbraw/zinc/39/30/34/149393034.db2.gz LTVOUGRKABYYBD-LSDHHAIUSA-N 1 0 341.433 1.897 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc([N+](=O)[O-])cnc3C)[C@@H]2C1 ZINC000355383266 150246065 /nfs/dbraw/zinc/24/60/65/150246065.db2.gz YSFZFHAJZLQLNK-CABCVRRESA-N 1 0 334.376 1.233 20 5 EDBDRO CCn1cc(CN(CCO)Cc2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000355525898 150302535 /nfs/dbraw/zinc/30/25/35/150302535.db2.gz FYQSCTPQGIIVGI-UHFFFAOYSA-N 1 0 334.376 1.814 20 5 EDBDRO COc1cc(C(=O)NC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OC(F)F ZINC000269143350 286201523 /nfs/dbraw/zinc/20/15/23/286201523.db2.gz CUENTLYYELOSQW-MRVPVSSYSA-N 1 0 345.302 1.687 20 5 EDBDRO O=C(CN1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000357072778 150912842 /nfs/dbraw/zinc/91/28/42/150912842.db2.gz HPPKOCRPNJXIQK-MNOVXSKESA-N 1 0 338.795 1.728 20 5 EDBDRO C[NH+]1CCC(CCO)(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000357529953 151057731 /nfs/dbraw/zinc/05/77/31/151057731.db2.gz YKDUKSUFSOXGSL-UHFFFAOYSA-N 1 0 346.387 1.653 20 5 EDBDRO C[C@@H](O)C[N@H+](C)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000357633737 151094385 /nfs/dbraw/zinc/09/43/85/151094385.db2.gz FDAIXKPSISJCLD-CQSZACIVSA-N 1 0 337.420 1.751 20 5 EDBDRO Cn1c(-c2nc(CC3=[NH+][C@@H]4CCCC[C@@H]4N3)no2)ccc1[N+](=O)[O-] ZINC000357939855 151203440 /nfs/dbraw/zinc/20/34/40/151203440.db2.gz VHIWUIWEDOCVGL-AOOOYVTPSA-N 1 0 330.348 1.839 20 5 EDBDRO COc1cc(CN2CCO[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000358132476 151282885 /nfs/dbraw/zinc/28/28/85/151282885.db2.gz XJUUDXRKINUURB-SNVBAGLBSA-N 1 0 347.318 1.364 20 5 EDBDRO CO[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H](C[NH3+])C1 ZINC000359041047 151575838 /nfs/dbraw/zinc/57/58/38/151575838.db2.gz MAMBAXHUZJRXST-ZIAGYGMSSA-N 1 0 347.375 1.583 20 5 EDBDRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000370104519 155325479 /nfs/dbraw/zinc/32/54/79/155325479.db2.gz JEJSWYWMMJUJRA-OWCLPIDISA-N 1 0 333.388 1.059 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000360004055 151882347 /nfs/dbraw/zinc/88/23/47/151882347.db2.gz FPIPJMHQDMYUEU-KGLIPLIRSA-N 1 0 339.417 1.570 20 5 EDBDRO CC(=O)N[C@@H](C)C1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000360627737 152129440 /nfs/dbraw/zinc/12/94/40/152129440.db2.gz CONXJNFYTTYIBB-NSHDSACASA-N 1 0 348.403 1.430 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000360664801 152144445 /nfs/dbraw/zinc/14/44/45/152144445.db2.gz IHCDXGROVGIOKR-VXGBXAGGSA-N 1 0 327.406 1.664 20 5 EDBDRO C[C@@H](NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000417140115 304376769 /nfs/dbraw/zinc/37/67/69/304376769.db2.gz PJZZDOWMKJESCT-CZUORRHYSA-N 1 0 347.419 1.345 20 5 EDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000370149005 155348448 /nfs/dbraw/zinc/34/84/48/155348448.db2.gz DKXBUQPRWGTBAP-XJKCOSOUSA-N 1 0 332.404 1.948 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363834914 153070077 /nfs/dbraw/zinc/07/00/77/153070077.db2.gz RRDDXURLYFKFSZ-MQZKNQHPSA-N 1 0 345.399 1.978 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])c1 ZINC000262058921 286351480 /nfs/dbraw/zinc/35/14/80/286351480.db2.gz DSZCIPIOQGJIQW-LBPRGKRZSA-N 1 0 331.394 1.255 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000364114472 153148814 /nfs/dbraw/zinc/14/88/14/153148814.db2.gz LEBAEDYSYDYBCP-OAHLLOKOSA-N 1 0 348.403 1.832 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@]12CCN(S(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000364203947 153173322 /nfs/dbraw/zinc/17/33/22/153173322.db2.gz ZUPONOACJZAATI-KGLIPLIRSA-N 1 0 325.390 1.487 20 5 EDBDRO NC(=O)c1ncn([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000364532300 153260613 /nfs/dbraw/zinc/26/06/13/153260613.db2.gz SNKMXDLWMPGFDF-ZDUSSCGKSA-N 1 0 330.348 1.122 20 5 EDBDRO COc1ccc(CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000417200427 304384187 /nfs/dbraw/zinc/38/41/87/304384187.db2.gz UFAJGAAOSRNCJL-BETUJISGSA-N 1 0 334.376 1.639 20 5 EDBDRO O=C(C[N@@H+]1CC[C@@]2(C1)CCCOC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000367451794 154126559 /nfs/dbraw/zinc/12/65/59/154126559.db2.gz RSQTYVNDUCOLGK-GOSISDBHSA-N 1 0 345.399 1.986 20 5 EDBDRO O=C1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](C2CC2)N1 ZINC000367456896 154131245 /nfs/dbraw/zinc/13/12/45/154131245.db2.gz DGQAOASHVDRQHL-ZBEGNZNMSA-N 1 0 330.344 1.883 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000367473810 154139502 /nfs/dbraw/zinc/13/95/02/154139502.db2.gz IYNJALCXURWZRH-CQSZACIVSA-N 1 0 325.390 1.359 20 5 EDBDRO CCc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000371844090 156136509 /nfs/dbraw/zinc/13/65/09/156136509.db2.gz IRKHOPXSCCRTDZ-HUUCEWRRSA-N 1 0 333.388 1.750 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000352526404 162230747 /nfs/dbraw/zinc/23/07/47/162230747.db2.gz NGHYEPDNHKVHKC-LBPRGKRZSA-N 1 0 331.419 1.421 20 5 EDBDRO CCCC[N@H+](C)CC1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000353880263 162263908 /nfs/dbraw/zinc/26/39/08/162263908.db2.gz JGUYIHJPIFWBLR-UHFFFAOYSA-N 1 0 338.412 1.157 20 5 EDBDRO COCC[NH2+]CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417983971 304442285 /nfs/dbraw/zinc/44/22/85/304442285.db2.gz GBFSAIYCUXFLBI-UHFFFAOYSA-N 1 0 344.799 1.326 20 5 EDBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1cccc(O)c1 ZINC000080931432 287309545 /nfs/dbraw/zinc/30/95/45/287309545.db2.gz NVABUKAZLDQLGW-BLLLJJGKSA-N 1 0 334.376 1.941 20 5 EDBDRO COc1ccccc1CC[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090526376 287330652 /nfs/dbraw/zinc/33/06/52/287330652.db2.gz RYOKFWIHPNMRKK-UHFFFAOYSA-N 1 0 331.372 1.940 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171442875 227081317 /nfs/dbraw/zinc/08/13/17/227081317.db2.gz LLOJRGNYAOLGNG-LBPRGKRZSA-N 1 0 334.332 1.813 20 5 EDBDRO O=C(N[C@H]1CC[NH2+]C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418395557 304490812 /nfs/dbraw/zinc/49/08/12/304490812.db2.gz YXSFTFCUJDMYKW-LBPRGKRZSA-N 1 0 334.376 1.510 20 5 EDBDRO CCC[NH2+]CCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418472603 304499830 /nfs/dbraw/zinc/49/98/30/304499830.db2.gz MEAZPFXNGIXRGU-UHFFFAOYSA-N 1 0 335.408 1.426 20 5 EDBDRO C[C@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000420177973 299854069 /nfs/dbraw/zinc/85/40/69/299854069.db2.gz AIUITQQKJFWONN-WCBMZHEXSA-N 1 0 333.435 1.623 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC000191759855 272981245 /nfs/dbraw/zinc/98/12/45/272981245.db2.gz RPWGHNJOIOTMMS-CYBMUJFWSA-N 1 0 349.366 1.983 20 5 EDBDRO C[C@H]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@H]1C[NH3+] ZINC000237661212 273011802 /nfs/dbraw/zinc/01/18/02/273011802.db2.gz KGEFHWAPNQQMES-LRDDRELGSA-N 1 0 343.387 1.980 20 5 EDBDRO O=C(CC[NH+]1CCC2(CNC(=O)C2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000267832541 273021216 /nfs/dbraw/zinc/02/12/16/273021216.db2.gz RNTUAELYVPXMPH-UHFFFAOYSA-N 1 0 346.387 1.526 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273698512 268073151 /nfs/dbraw/zinc/07/31/51/268073151.db2.gz NHDIQPKPQBGZHK-BXUZGUMPSA-N 1 0 339.417 1.497 20 5 EDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000275625707 268366119 /nfs/dbraw/zinc/36/61/19/268366119.db2.gz IZPXBOUYMNRITD-MRVPVSSYSA-N 1 0 346.156 1.978 20 5 EDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279040110 268774064 /nfs/dbraw/zinc/77/40/64/268774064.db2.gz QMWQYGXVPUOOQB-NSHDSACASA-N 1 0 344.375 1.237 20 5 EDBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176501883 272938156 /nfs/dbraw/zinc/93/81/56/272938156.db2.gz SPVFNEHZZATPSB-LBPRGKRZSA-N 1 0 336.392 1.360 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000277000191 273175381 /nfs/dbraw/zinc/17/53/81/273175381.db2.gz DAATWDJLJXFHQX-UHFFFAOYSA-N 1 0 337.376 1.180 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277017009 273176432 /nfs/dbraw/zinc/17/64/32/273176432.db2.gz ASNVNGKGBUVOGK-CYBMUJFWSA-N 1 0 348.403 1.784 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000277945247 273236733 /nfs/dbraw/zinc/23/67/33/273236733.db2.gz RFWDVARHRVPFBS-GMXVVIOVSA-N 1 0 337.376 1.945 20 5 EDBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000280615655 273378023 /nfs/dbraw/zinc/37/80/23/273378023.db2.gz WFMJHCIEQWNPGM-DYVFJYSZSA-N 1 0 349.387 1.803 20 5 EDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)COc2ccccc2[N+](=O)[O-])[N@H+](C)C1 ZINC000284481264 274217800 /nfs/dbraw/zinc/21/78/00/274217800.db2.gz BIUUHCVIXNFABL-STQMWFEESA-N 1 0 337.376 1.151 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000284533025 274235885 /nfs/dbraw/zinc/23/58/85/274235885.db2.gz ADBGBLQUHBOQST-KGLIPLIRSA-N 1 0 345.359 1.016 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000284775258 274326899 /nfs/dbraw/zinc/32/68/99/274326899.db2.gz AKJIJPPBPJOEOZ-KGLIPLIRSA-N 1 0 339.779 1.793 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000153180334 274330879 /nfs/dbraw/zinc/33/08/79/274330879.db2.gz YVUAUAWFFOKUJS-VXGBXAGGSA-N 1 0 329.360 1.603 20 5 EDBDRO O=C1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C2CC2)N1 ZINC000375275629 275017977 /nfs/dbraw/zinc/01/79/77/275017977.db2.gz DQWDDWUFONJYEH-DOMZBBRYSA-N 1 0 334.332 1.650 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000267097890 275036270 /nfs/dbraw/zinc/03/62/70/275036270.db2.gz WCMOBWBLFZSBLM-UHFFFAOYSA-N 1 0 336.348 1.804 20 5 EDBDRO CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000269609904 276040438 /nfs/dbraw/zinc/04/04/38/276040438.db2.gz QVXZQYGIHHXNAL-NEPJUHHUSA-N 1 0 335.408 1.998 20 5 EDBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285853265 287873372 /nfs/dbraw/zinc/87/33/72/287873372.db2.gz UNBRCOVURVQCCS-LLVKDONJSA-N 1 0 344.375 1.668 20 5 EDBDRO C[NH+](C)CC1(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCC1 ZINC000281576645 276758395 /nfs/dbraw/zinc/75/83/95/276758395.db2.gz PVSDQLVVDBFALQ-UHFFFAOYSA-N 1 0 331.369 1.497 20 5 EDBDRO CS[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@@H]1[NH+](C)C ZINC000286121062 287940494 /nfs/dbraw/zinc/94/04/94/287940494.db2.gz FGUAIFPZZDPIOC-STQMWFEESA-N 1 0 349.416 1.725 20 5 EDBDRO CNc1c(C(=O)N(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000346700408 277301303 /nfs/dbraw/zinc/30/13/03/277301303.db2.gz PSEXBMJHURUGNB-RYUDHWBXSA-N 1 0 336.392 1.428 20 5 EDBDRO COCC[C@]1([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCOC1 ZINC000447074404 277557123 /nfs/dbraw/zinc/55/71/23/277557123.db2.gz FPORJNYCYIQEKI-INIZCTEOSA-N 1 0 338.360 1.747 20 5 EDBDRO CC(C)NC(=O)c1ccc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000420266315 277661433 /nfs/dbraw/zinc/66/14/33/277661433.db2.gz VSJBZZGTPCRXNH-KBPBESRZSA-N 1 0 332.404 1.779 20 5 EDBDRO C[N@@H+]1CCO[C@@H]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000286604160 288043923 /nfs/dbraw/zinc/04/39/23/288043923.db2.gz XVQRTPRVZKAXEN-WDEREUQCSA-N 1 0 335.389 1.509 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351826391 288093076 /nfs/dbraw/zinc/09/30/76/288093076.db2.gz GTMGEDBOUGQLMJ-DLOVCJGASA-N 1 0 338.412 1.023 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC(C)(C)[NH+](C)C ZINC000350075748 280198652 /nfs/dbraw/zinc/19/86/52/280198652.db2.gz LXRFUXDJQUEOTD-LLVKDONJSA-N 1 0 340.428 1.284 20 5 EDBDRO CC(C)c1ccc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000423654720 280593889 /nfs/dbraw/zinc/59/38/89/280593889.db2.gz TVVDKKZMPCPSII-HNNXBMFYSA-N 1 0 346.431 1.838 20 5 EDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000287519352 288256301 /nfs/dbraw/zinc/25/63/01/288256301.db2.gz ZUTVYJINCBAQNE-LLVKDONJSA-N 1 0 349.416 1.758 20 5 EDBDRO O=C([C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000287496766 288251017 /nfs/dbraw/zinc/25/10/17/288251017.db2.gz TVAJVZYERUKHAP-ZBFHGGJFSA-N 1 0 333.388 1.573 20 5 EDBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000290068897 288832976 /nfs/dbraw/zinc/83/29/76/288832976.db2.gz VFTIWGYKTMWLCA-JKSUJKDBSA-N 1 0 332.404 1.632 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290213411 288858908 /nfs/dbraw/zinc/85/89/08/288858908.db2.gz SITDDUZXPVOICE-GFCCVEGCSA-N 1 0 348.359 1.965 20 5 EDBDRO O=[N+]([O-])c1ccc(Br)cc1N1CCC([NH2+]CCO)CC1 ZINC000290942534 288978494 /nfs/dbraw/zinc/97/84/94/288978494.db2.gz LPHCAONZRKJLPW-UHFFFAOYSA-N 1 0 344.209 1.908 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000291179824 289013346 /nfs/dbraw/zinc/01/33/46/289013346.db2.gz FAZQIBXGGJEXAD-GFCCVEGCSA-N 1 0 348.403 1.506 20 5 EDBDRO C[NH+](C)C1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000123710087 289069630 /nfs/dbraw/zinc/06/96/30/289069630.db2.gz NUUQVYVQNLDWLE-UHFFFAOYSA-N 1 0 331.369 1.449 20 5 EDBDRO C[C@H]1[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000291702866 289155654 /nfs/dbraw/zinc/15/56/54/289155654.db2.gz FNWIFVZVHSNUGA-AAEUAGOBSA-N 1 0 329.360 1.711 20 5 EDBDRO O=C(CC[C@H]1CCC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000291938533 289220598 /nfs/dbraw/zinc/22/05/98/289220598.db2.gz UDSPQBABSZLSQY-CQSZACIVSA-N 1 0 332.404 1.776 20 5 EDBDRO Cc1cc(OCC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292359914 289325446 /nfs/dbraw/zinc/32/54/46/289325446.db2.gz WAQZDDFBEMTWSO-QGZVFWFLSA-N 1 0 333.388 1.836 20 5 EDBDRO C[C@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000292486549 289360759 /nfs/dbraw/zinc/36/07/59/289360759.db2.gz CEJYFTCBERZWTE-GFCCVEGCSA-N 1 0 329.422 1.254 20 5 EDBDRO CN(C(=O)C[N@@H+]1CC[C@H](O)C12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000292603468 289392821 /nfs/dbraw/zinc/39/28/21/289392821.db2.gz DWARSNIPLGJVMM-HNNXBMFYSA-N 1 0 333.388 1.937 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000237318491 295189162 /nfs/dbraw/zinc/18/91/62/295189162.db2.gz UBVOINCXDASEAO-PWSUYJOCSA-N 1 0 343.405 1.494 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000419168681 304573565 /nfs/dbraw/zinc/57/35/65/304573565.db2.gz QNAFDMORJVHVNQ-VHDGCEQUSA-N 1 0 348.403 1.406 20 5 EDBDRO Cc1c(CNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000419764253 304681906 /nfs/dbraw/zinc/68/19/06/304681906.db2.gz VZDWYJNEZALWCG-UHFFFAOYSA-N 1 0 348.403 1.025 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000193451092 301199642 /nfs/dbraw/zinc/19/96/42/301199642.db2.gz JVEJUAKGECJWLT-RYUDHWBXSA-N 1 0 327.406 1.630 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]12 ZINC000420311363 304748857 /nfs/dbraw/zinc/74/88/57/304748857.db2.gz QYVMDKNSJFIHNI-UFGOTCBOSA-N 1 0 338.795 1.856 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000248652904 302046436 /nfs/dbraw/zinc/04/64/36/302046436.db2.gz VKOHTXWJSUMIHR-QJPTWQEYSA-N 1 0 325.390 1.261 20 5 EDBDRO Cc1ccnc(N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000127050592 302269817 /nfs/dbraw/zinc/26/98/17/302269817.db2.gz UREZJEAHSIAIIN-OAHLLOKOSA-N 1 0 333.436 1.905 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC(C)(C)CCC[NH3+] ZINC000293752325 303013150 /nfs/dbraw/zinc/01/31/50/303013150.db2.gz WLIPKEDCODBZEW-NSHDSACASA-N 1 0 336.392 1.347 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3c(N)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000293813335 303022884 /nfs/dbraw/zinc/02/28/84/303022884.db2.gz FKHSIWILNNDOHI-UONOGXRCSA-N 1 0 334.376 1.112 20 5 EDBDRO Cc1ccc(NC(=O)NCCC[N@@H+](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000294148811 303069837 /nfs/dbraw/zinc/06/98/37/303069837.db2.gz HCOFNSWNQKNKPN-UHFFFAOYSA-N 1 0 337.424 1.908 20 5 EDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000294577979 303126412 /nfs/dbraw/zinc/12/64/12/303126412.db2.gz PQZLBPMPUJVHCX-NSHDSACASA-N 1 0 329.360 1.666 20 5 EDBDRO C[NH+]1CCN(c2ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])nc2)CC1 ZINC000294624083 303129764 /nfs/dbraw/zinc/12/97/64/303129764.db2.gz WRNYCSSJJZYMEJ-UHFFFAOYSA-N 1 0 335.408 1.607 20 5 EDBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000295368230 303210215 /nfs/dbraw/zinc/21/02/15/303210215.db2.gz GEPNXAISRLUCKF-GFCCVEGCSA-N 1 0 341.795 1.825 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)[C@@H](C)CO ZINC000295759533 303263024 /nfs/dbraw/zinc/26/30/24/303263024.db2.gz OUBBMHDVRFJGAQ-WDEREUQCSA-N 1 0 325.365 1.539 20 5 EDBDRO C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000295778518 303265361 /nfs/dbraw/zinc/26/53/61/303265361.db2.gz XUCDNBWECGRYGJ-GXTWGEPZSA-N 1 0 348.403 1.182 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000296003353 303288854 /nfs/dbraw/zinc/28/88/54/303288854.db2.gz MZXBBUXWWNBTTH-NUEKZKHPSA-N 1 0 333.388 1.694 20 5 EDBDRO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000327221762 303770414 /nfs/dbraw/zinc/77/04/14/303770414.db2.gz JFMCJSRDSQOBHO-AWEZNQCLSA-N 1 0 345.403 1.028 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cccc3cccnc32)c1 ZINC000391695243 303851401 /nfs/dbraw/zinc/85/14/01/303851401.db2.gz MKXZOEBEUAQHIC-OAHLLOKOSA-N 1 0 327.344 1.490 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000170736686 304797925 /nfs/dbraw/zinc/79/79/25/304797925.db2.gz KGQJHRQIICTFPO-NSHDSACASA-N 1 0 343.380 1.593 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000368639110 304805455 /nfs/dbraw/zinc/80/54/55/304805455.db2.gz SBXOHEMXHIRWQF-KOLCDFICSA-N 1 0 345.808 1.621 20 5 EDBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1CCn2ccnc2C1 ZINC000427992757 305003240 /nfs/dbraw/zinc/00/32/40/305003240.db2.gz MVXNUEXGDIWOJP-ZDUSSCGKSA-N 1 0 339.355 1.877 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1[NH3+] ZINC000429146517 305024533 /nfs/dbraw/zinc/02/45/33/305024533.db2.gz ZZALQJZBOVPWQV-SMDDNHRTSA-N 1 0 329.360 1.590 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430589493 305057635 /nfs/dbraw/zinc/05/76/35/305057635.db2.gz IDMQIJOYVUDIIK-NSHDSACASA-N 1 0 326.784 1.871 20 5 EDBDRO COc1ccc(NC(=O)CCN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000430597001 305057692 /nfs/dbraw/zinc/05/76/92/305057692.db2.gz KRQKYMVXGGCPMB-OLZOCXBDSA-N 1 0 348.403 1.758 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000430620400 305059655 /nfs/dbraw/zinc/05/96/55/305059655.db2.gz HRKUWBDGUTULMU-WFASDCNBSA-N 1 0 332.404 1.686 20 5 EDBDRO CCc1nn(C)c(N2CCC([N@H+](C)C[C@H](C)O)CC2)c1[N+](=O)[O-] ZINC000436443776 305157346 /nfs/dbraw/zinc/15/73/46/305157346.db2.gz WQOTWEATGCDRRY-NSHDSACASA-N 1 0 325.413 1.172 20 5 EDBDRO Cn1c(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000437737374 305178888 /nfs/dbraw/zinc/17/88/88/305178888.db2.gz PAJGXMIWZCZRFT-MBNYWOFBSA-N 1 0 336.392 1.257 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000440405937 305205834 /nfs/dbraw/zinc/20/58/34/305205834.db2.gz KZULVIHCTSTHGF-YPMHNXCESA-N 1 0 327.406 1.569 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000440437342 305206794 /nfs/dbraw/zinc/20/67/94/305206794.db2.gz CEANHPOGNRHXCQ-ZWNOBZJWSA-N 1 0 327.406 1.515 20 5 EDBDRO C[C@@H]1C[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000443789122 305241439 /nfs/dbraw/zinc/24/14/39/305241439.db2.gz XWORSKOSBPTGPK-DGCLKSJQSA-N 1 0 327.406 1.497 20 5 EDBDRO COCCOCCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447514171 305281058 /nfs/dbraw/zinc/28/10/58/305281058.db2.gz BQLMIEPITPXDOX-ZIAGYGMSSA-N 1 0 326.397 1.918 20 5 EDBDRO COCCN(C)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447544923 305281921 /nfs/dbraw/zinc/28/19/21/305281921.db2.gz VXDANIWCKQOWJZ-KBPBESRZSA-N 1 0 325.413 1.443 20 5 EDBDRO Cc1c(NC(=O)CC[NH2+][C@H](CO)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000447910809 305288699 /nfs/dbraw/zinc/28/86/99/305288699.db2.gz DIVABLZIKATOSC-UKRRQHHQSA-N 1 0 337.376 1.361 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCC[NH+]1CCCC1 ZINC000448602540 305299280 /nfs/dbraw/zinc/29/92/80/305299280.db2.gz BCYFMYKITIIMHZ-UHFFFAOYSA-N 1 0 344.371 1.734 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000448923248 305304236 /nfs/dbraw/zinc/30/42/36/305304236.db2.gz VEDNCCFFJMUPGY-CQSZACIVSA-N 1 0 341.371 1.701 20 5 EDBDRO COc1cc(CCNC(=O)[C@H](C)[NH2+]C2CC2)c([N+](=O)[O-])cc1OC ZINC000449072225 305305784 /nfs/dbraw/zinc/30/57/84/305305784.db2.gz PFQLIFKTVUVXEB-JTQLQIEISA-N 1 0 337.376 1.411 20 5 EDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 ZINC000449328951 305311708 /nfs/dbraw/zinc/31/17/08/305311708.db2.gz LXDMBYDLNGYWHS-CAGXHZNZSA-N 1 0 347.415 1.942 20 5 EDBDRO COCC(COC)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449548128 305313350 /nfs/dbraw/zinc/31/33/50/305313350.db2.gz ZNMBLTKHZSKMMA-NSHDSACASA-N 1 0 325.365 1.563 20 5 EDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000449701880 305317486 /nfs/dbraw/zinc/31/74/86/305317486.db2.gz CPWSKRCYFXHMGY-WCQYABFASA-N 1 0 339.417 1.570 20 5 EDBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000452373150 305394276 /nfs/dbraw/zinc/39/42/76/305394276.db2.gz GEKRLLWPBZAQPL-CYBMUJFWSA-N 1 0 325.340 1.311 20 5 EDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCCCC[NH+]1CCOCC1 ZINC000491151565 305569707 /nfs/dbraw/zinc/56/97/07/305569707.db2.gz MRZHIHKQMBQMOV-FPLPWBNLSA-N 1 0 333.388 1.837 20 5 EDBDRO O=C(CC[NH2+][C@@H]1C[C@H](O)[C@@H]1n1cccn1)Nc1ccccc1[N+](=O)[O-] ZINC000517372149 305751970 /nfs/dbraw/zinc/75/19/70/305751970.db2.gz VVTCEEAKOZFJSB-IVMMDQJWSA-N 1 0 345.359 1.084 20 5 EDBDRO COc1cc(CCNc2cc[nH+]cc2C(N)=O)c([N+](=O)[O-])cc1OC ZINC000546574176 306093185 /nfs/dbraw/zinc/09/31/85/306093185.db2.gz LAUMVGYUSXLIFM-UHFFFAOYSA-N 1 0 346.343 1.182 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000555028484 306199795 /nfs/dbraw/zinc/19/97/95/306199795.db2.gz NOFJJBKRYRDZGE-LBPRGKRZSA-N 1 0 348.403 1.554 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000414948293 447368453 /nfs/dbraw/zinc/36/84/53/447368453.db2.gz MAKUWISWORPDOA-SECBINFHSA-N 1 0 346.290 1.388 20 5 EDBDRO C[C@H](NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000449208525 447370442 /nfs/dbraw/zinc/37/04/42/447370442.db2.gz POGCMHNHTDTVMQ-AAEUAGOBSA-N 1 0 344.375 1.429 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000493812657 447401273 /nfs/dbraw/zinc/40/12/73/447401273.db2.gz CCAFGWNUZXWUED-YVACAVLKSA-N 1 0 345.399 1.822 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC1([NH+](C)C)CC1 ZINC000419812927 447426900 /nfs/dbraw/zinc/42/69/00/447426900.db2.gz JENDDFQYAPPDMM-UHFFFAOYSA-N 1 0 334.376 1.361 20 5 EDBDRO C[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[N@H+](C)C1CC1 ZINC000057708915 441129042 /nfs/dbraw/zinc/12/90/42/441129042.db2.gz AKSPSURAUSWPCC-GFCCVEGCSA-N 1 0 343.387 1.993 20 5 EDBDRO C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000097617194 441142979 /nfs/dbraw/zinc/14/29/79/441142979.db2.gz OJDBZFSZZGEPBS-UHFFFAOYSA-N 1 0 332.404 1.973 20 5 EDBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCC1 ZINC000104755268 441205061 /nfs/dbraw/zinc/20/50/61/441205061.db2.gz YDBMZTQMZUGZNO-UHFFFAOYSA-N 1 0 333.435 1.809 20 5 EDBDRO Cn1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1=O ZINC000072665097 441247570 /nfs/dbraw/zinc/24/75/70/441247570.db2.gz KVXBKRPJKYPXPD-CYBMUJFWSA-N 1 0 329.360 1.375 20 5 EDBDRO C[NH+](C)C1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000073082989 441291763 /nfs/dbraw/zinc/29/17/63/441291763.db2.gz OUHJFJJAUWLOPW-UHFFFAOYSA-N 1 0 349.387 1.461 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000074315626 441419676 /nfs/dbraw/zinc/41/96/76/441419676.db2.gz ZVFVCJMWOVOPAG-OAHLLOKOSA-N 1 0 349.435 1.680 20 5 EDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000108339732 441448038 /nfs/dbraw/zinc/44/80/38/441448038.db2.gz RGMISYWZXMUSCH-CYBMUJFWSA-N 1 0 343.387 1.852 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000108618637 441470063 /nfs/dbraw/zinc/47/00/63/441470063.db2.gz ZQDCNTHEWVXWRD-CYBMUJFWSA-N 1 0 346.387 1.442 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000030496586 441494389 /nfs/dbraw/zinc/49/43/89/441494389.db2.gz VZTUGCWXNRVSPJ-UHFFFAOYSA-N 1 0 348.384 1.501 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1NCc1cccnc1N1CC[NH+](C)CC1 ZINC000066372795 441526145 /nfs/dbraw/zinc/52/61/45/441526145.db2.gz MQGGBOZQHWPSGS-UHFFFAOYSA-N 1 0 331.380 1.087 20 5 EDBDRO CC[NH+]1CCN(CCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000112918013 441567532 /nfs/dbraw/zinc/56/75/32/441567532.db2.gz IGCAEWLGTMJGEW-UHFFFAOYSA-N 1 0 340.811 1.616 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH+](C)C)cc1OC ZINC000033093792 441588015 /nfs/dbraw/zinc/58/80/15/441588015.db2.gz RYWLJTANZQXKGS-SNVBAGLBSA-N 1 0 325.365 1.682 20 5 EDBDRO C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000173295811 441706400 /nfs/dbraw/zinc/70/64/00/441706400.db2.gz GDCHNVRPXNECQC-OAHLLOKOSA-N 1 0 346.431 1.837 20 5 EDBDRO C[C@H]([NH2+]CCCN1C(=O)NC(C)(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000173417897 441743342 /nfs/dbraw/zinc/74/33/42/441743342.db2.gz IENQFEGWJYEFJZ-NSHDSACASA-N 1 0 334.376 1.966 20 5 EDBDRO CCc1ccc([C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)[NH+](C)C)cc1 ZINC000043271969 441827498 /nfs/dbraw/zinc/82/74/98/441827498.db2.gz NFCCCEYWCWQZNU-OAHLLOKOSA-N 1 0 345.403 1.773 20 5 EDBDRO C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000122055248 441833142 /nfs/dbraw/zinc/83/31/42/441833142.db2.gz QWZIUGHKFYTSFL-AWEZNQCLSA-N 1 0 334.420 1.137 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000174025384 441879794 /nfs/dbraw/zinc/87/97/94/441879794.db2.gz CYWYDWIHNRXNBL-NSHDSACASA-N 1 0 345.396 1.696 20 5 EDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000174127868 441891096 /nfs/dbraw/zinc/89/10/96/441891096.db2.gz BFXHBPNJQXHTBU-CQSZACIVSA-N 1 0 337.424 1.741 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000124461496 441928702 /nfs/dbraw/zinc/92/87/02/441928702.db2.gz QBMMENSGYGUNJN-UHFFFAOYSA-N 1 0 333.392 1.043 20 5 EDBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000078507352 441939692 /nfs/dbraw/zinc/93/96/92/441939692.db2.gz WIHRXFUQSOJPLM-CYBMUJFWSA-N 1 0 328.376 1.678 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1C[NH2+]C ZINC000124862133 441960203 /nfs/dbraw/zinc/96/02/03/441960203.db2.gz RRUQZAKOHLAIFI-ZDUSSCGKSA-N 1 0 327.406 1.530 20 5 EDBDRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000150879710 441966706 /nfs/dbraw/zinc/96/67/06/441966706.db2.gz YEXGBMUYHPRETM-ZDUSSCGKSA-N 1 0 345.421 1.230 20 5 EDBDRO C[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)C(C)(C)C[NH+](C)C ZINC000151327635 442043317 /nfs/dbraw/zinc/04/33/17/442043317.db2.gz CRAAGYDJPHTQRR-NSHDSACASA-N 1 0 326.401 1.067 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000175390260 442053308 /nfs/dbraw/zinc/05/33/08/442053308.db2.gz IOGNGXXBZIOTTL-ZDUSSCGKSA-N 1 0 327.406 1.700 20 5 EDBDRO CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@@H]1CCCCO1 ZINC000126030816 442070349 /nfs/dbraw/zinc/07/03/49/442070349.db2.gz FCMGQWRJZJJEOZ-HNNXBMFYSA-N 1 0 333.388 1.985 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175478345 442070846 /nfs/dbraw/zinc/07/08/46/442070846.db2.gz OGHUGIPIHBKYCE-UHFFFAOYSA-N 1 0 329.784 1.946 20 5 EDBDRO CN(CC(=O)N1CC[NH+](CC2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000079669282 442075201 /nfs/dbraw/zinc/07/52/01/442075201.db2.gz HLUUMXNLUTVCJK-UHFFFAOYSA-N 1 0 332.404 1.585 20 5 EDBDRO CSCC[C@H]([NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000165539247 442210368 /nfs/dbraw/zinc/21/03/68/442210368.db2.gz GCMXJCBBIPBSBX-AWEZNQCLSA-N 1 0 338.433 1.324 20 5 EDBDRO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152460197 442215883 /nfs/dbraw/zinc/21/58/83/442215883.db2.gz HQPWMUFHUQOWPA-CQSZACIVSA-N 1 0 334.420 1.831 20 5 EDBDRO CCS(=O)(=O)NCCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000127619207 442216059 /nfs/dbraw/zinc/21/60/59/442216059.db2.gz IYGFDYPLUCPVAD-GFCCVEGCSA-N 1 0 329.422 1.883 20 5 EDBDRO CCCc1[nH]nc(C(=O)Nc2cc(C[NH+](C)C)ccn2)c1[N+](=O)[O-] ZINC000176932843 442275741 /nfs/dbraw/zinc/27/57/41/442275741.db2.gz QIJABZJQTKEOFW-UHFFFAOYSA-N 1 0 332.364 1.979 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000154720308 442353126 /nfs/dbraw/zinc/35/31/26/442353126.db2.gz XTJUTYAMZVLYKK-UHFFFAOYSA-N 1 0 348.403 1.233 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000171720045 442374274 /nfs/dbraw/zinc/37/42/74/442374274.db2.gz FCSWRNILUWMSSJ-ZDUSSCGKSA-N 1 0 335.408 1.030 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000171903303 442389670 /nfs/dbraw/zinc/38/96/70/442389670.db2.gz PZKHQBKVTGKYPC-OAHLLOKOSA-N 1 0 336.392 1.505 20 5 EDBDRO CC(C)C[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178000152 442400259 /nfs/dbraw/zinc/40/02/59/442400259.db2.gz SWOQUQOGENTXRT-GFCCVEGCSA-N 1 0 329.422 1.897 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)n1 ZINC000177584531 442359911 /nfs/dbraw/zinc/35/99/11/442359911.db2.gz BQHCDZAVZFCTBO-HNNXBMFYSA-N 1 0 338.408 1.841 20 5 EDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000178521885 442441303 /nfs/dbraw/zinc/44/13/03/442441303.db2.gz SIBKEQMQOBBCOI-QMMMGPOBSA-N 1 0 328.166 1.778 20 5 EDBDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1csc([N+](=O)[O-])c1 ZINC000172378185 442452257 /nfs/dbraw/zinc/45/22/57/442452257.db2.gz RCLJNXFQXVEHMG-LLVKDONJSA-N 1 0 339.417 1.887 20 5 EDBDRO CCc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000178679923 442455638 /nfs/dbraw/zinc/45/56/38/442455638.db2.gz XUMUUFQICQTRRQ-SMDDNHRTSA-N 1 0 347.419 1.969 20 5 EDBDRO CCc1n[nH]c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000178679937 442455832 /nfs/dbraw/zinc/45/58/32/442455832.db2.gz XUMUUFQICQTRRQ-FZMZJTMJSA-N 1 0 347.419 1.969 20 5 EDBDRO CCOC(=O)CNC(=O)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000134529587 442491479 /nfs/dbraw/zinc/49/14/79/442491479.db2.gz XCYRABVNQSAJQG-UHFFFAOYSA-N 1 0 349.387 1.486 20 5 EDBDRO O=C1CCCN1C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000179548848 442473927 /nfs/dbraw/zinc/47/39/27/442473927.db2.gz XBDVHGXWJQNGCD-OAHLLOKOSA-N 1 0 343.387 1.745 20 5 EDBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC000178935022 442530202 /nfs/dbraw/zinc/53/02/02/442530202.db2.gz VWAXBHUQIGYZCV-AWEZNQCLSA-N 1 0 341.433 1.920 20 5 EDBDRO O=C(NC[C@@H]1C[NH2+]CCO1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000157354738 442575368 /nfs/dbraw/zinc/57/53/68/442575368.db2.gz XJGJWMNXVCWIID-NSHDSACASA-N 1 0 344.165 1.076 20 5 EDBDRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135537268 442609394 /nfs/dbraw/zinc/60/93/94/442609394.db2.gz WUDLSJMMHVOSDS-ZFWWWQNUSA-N 1 0 347.419 1.877 20 5 EDBDRO CC(C)C[C@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)[NH+](C)C ZINC000181350174 442691578 /nfs/dbraw/zinc/69/15/78/442691578.db2.gz GHYUXKBGJIPERG-GFCCVEGCSA-N 1 0 344.437 1.630 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000181889683 442720641 /nfs/dbraw/zinc/72/06/41/442720641.db2.gz ORRUGTYGZCBKPL-QYCFJQJSSA-N 1 0 336.388 1.427 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000193244422 442725634 /nfs/dbraw/zinc/72/56/34/442725634.db2.gz PBGBEPOXDZPWIE-GFCCVEGCSA-N 1 0 327.406 1.490 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000193282631 442729217 /nfs/dbraw/zinc/72/92/17/442729217.db2.gz FZIFVVCFKWMUDG-VIFPVBQESA-N 1 0 349.384 1.394 20 5 EDBDRO [NH3+][C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C1CC1 ZINC000193313978 442732008 /nfs/dbraw/zinc/73/20/08/442732008.db2.gz ILQIMBUGYCWDBT-NSHDSACASA-N 1 0 336.373 1.159 20 5 EDBDRO Cc1nccn1CCC[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182227494 442747548 /nfs/dbraw/zinc/74/75/48/442747548.db2.gz XICXPJFQMIZUME-HNNXBMFYSA-N 1 0 348.403 1.862 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181701727 442711605 /nfs/dbraw/zinc/71/16/05/442711605.db2.gz IBFWQYKPYAKWDH-AWEZNQCLSA-N 1 0 341.433 1.395 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000265558400 442823793 /nfs/dbraw/zinc/82/37/93/442823793.db2.gz LLXCVZFKHOTAHB-GFCCVEGCSA-N 1 0 341.795 1.628 20 5 EDBDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000194104570 442846120 /nfs/dbraw/zinc/84/61/20/442846120.db2.gz PHDSVZJIIQHTGE-UHFFFAOYSA-N 1 0 347.824 1.963 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265797557 442924924 /nfs/dbraw/zinc/92/49/24/442924924.db2.gz MSUMGLBIPPBOHY-AWEZNQCLSA-N 1 0 348.447 1.625 20 5 EDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000183934033 442976113 /nfs/dbraw/zinc/97/61/13/442976113.db2.gz BGOYZJXLXAJMRZ-UHFFFAOYSA-N 1 0 347.419 1.956 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000194774179 442952329 /nfs/dbraw/zinc/95/23/29/442952329.db2.gz LREKNDNJSUQIPT-CQSZACIVSA-N 1 0 341.433 1.953 20 5 EDBDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000296586069 318708872 /nfs/dbraw/zinc/70/88/72/318708872.db2.gz URCPYNXWUOEBLR-WCQYABFASA-N 1 0 329.422 1.882 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)CC[NH+](C)C ZINC000266188510 443050689 /nfs/dbraw/zinc/05/06/89/443050689.db2.gz MOCGJBJXNWHWLC-JTQLQIEISA-N 1 0 331.394 1.222 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+]1CC(C)(C)O ZINC000190092907 443056484 /nfs/dbraw/zinc/05/64/84/443056484.db2.gz HHTBQMRPFNKWOK-LLVKDONJSA-N 1 0 336.392 1.094 20 5 EDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000255694362 443107997 /nfs/dbraw/zinc/10/79/97/443107997.db2.gz DANUVPBCAUTFEQ-JJEJIETFSA-N 1 0 347.415 1.961 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@H]1CO ZINC000190446651 443110713 /nfs/dbraw/zinc/11/07/13/443110713.db2.gz SSTVLNOKBLLKJA-BXUZGUMPSA-N 1 0 337.376 1.635 20 5 EDBDRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000298603871 318830888 /nfs/dbraw/zinc/83/08/88/318830888.db2.gz LIGKVGQEUHIENJ-UHFFFAOYSA-N 1 0 342.783 1.643 20 5 EDBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000262473729 443196252 /nfs/dbraw/zinc/19/62/52/443196252.db2.gz YNXSHGHSBHOLEJ-INIZCTEOSA-N 1 0 329.360 1.591 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000237320795 443168921 /nfs/dbraw/zinc/16/89/21/443168921.db2.gz HZBIACCSBCECIH-UWVGGRQHSA-N 1 0 329.378 1.104 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC2(CC[NH2+]C2)CC1 ZINC000261868022 443172679 /nfs/dbraw/zinc/17/26/79/443172679.db2.gz SAJCLUUYPPRAEK-UHFFFAOYSA-N 1 0 347.371 1.582 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262341752 443191150 /nfs/dbraw/zinc/19/11/50/443191150.db2.gz UKIKCHHTINHSRN-NEPJUHHUSA-N 1 0 325.390 1.418 20 5 EDBDRO CC(C)COC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304316532 318917744 /nfs/dbraw/zinc/91/77/44/318917744.db2.gz ONUQWMCJEOXNHM-AWEZNQCLSA-N 1 0 326.397 1.289 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000269104259 443197963 /nfs/dbraw/zinc/19/79/63/443197963.db2.gz IDECMLKBHLPTPU-LLVKDONJSA-N 1 0 337.376 1.684 20 5 EDBDRO CNC(=O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411228109 319172410 /nfs/dbraw/zinc/17/24/10/319172410.db2.gz QIGLUPKNFQXWQZ-AWEZNQCLSA-N 1 0 334.376 1.524 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](CO)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411650568 319192210 /nfs/dbraw/zinc/19/22/10/319192210.db2.gz BXRBHODLYZOUOT-RYUDHWBXSA-N 1 0 337.376 1.635 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@@]2(C)C(N)=O)cccc1[N+](=O)[O-] ZINC000185903100 443279664 /nfs/dbraw/zinc/27/96/64/443279664.db2.gz KDGKXKDUSXMRAN-KRWDZBQOSA-N 1 0 348.403 1.962 20 5 EDBDRO CCc1ccc(C(=O)N2CCC[N@H+](CCOC)CC2)cc1[N+](=O)[O-] ZINC000266923494 443291864 /nfs/dbraw/zinc/29/18/64/443291864.db2.gz LBMWXMZYBGIWOZ-UHFFFAOYSA-N 1 0 335.404 1.952 20 5 EDBDRO O=C(CN1CC[N@@H+]2CCC[C@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000269476986 443318856 /nfs/dbraw/zinc/31/88/56/443318856.db2.gz VSVLHSWTRYGWBM-NSHDSACASA-N 1 0 348.359 1.042 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000282563950 443375464 /nfs/dbraw/zinc/37/54/64/443375464.db2.gz RNEFTEQIQOFVTC-UHFFFAOYSA-N 1 0 338.339 1.191 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000419276566 319580699 /nfs/dbraw/zinc/58/06/99/319580699.db2.gz TWTULDOYRMLEFH-WCQYABFASA-N 1 0 334.376 1.030 20 5 EDBDRO CNC(=O)c1ccc(NCCN2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000267167472 443365156 /nfs/dbraw/zinc/36/51/56/443365156.db2.gz HEDOGAVYTADBMG-UHFFFAOYSA-N 1 0 349.435 1.392 20 5 EDBDRO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[NH+]1CCCCCC1 ZINC000267171715 443366057 /nfs/dbraw/zinc/36/60/57/443366057.db2.gz CGRYAMIVRQLCAX-UHFFFAOYSA-N 1 0 342.421 1.530 20 5 EDBDRO C[NH2+]CC1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000420424023 319616555 /nfs/dbraw/zinc/61/65/55/319616555.db2.gz RYZQOTJKNADYTO-UHFFFAOYSA-N 1 0 341.433 1.399 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000420430891 319618060 /nfs/dbraw/zinc/61/80/60/319618060.db2.gz WPESETHFEDVBOD-AAEUAGOBSA-N 1 0 327.406 1.136 20 5 EDBDRO C[N@H+](CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000272867804 443472502 /nfs/dbraw/zinc/47/25/02/443472502.db2.gz RBPWGVKUSPRVEJ-UHFFFAOYSA-N 1 0 340.767 1.397 20 5 EDBDRO CON1CCC([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000421207735 319677418 /nfs/dbraw/zinc/67/74/18/319677418.db2.gz LHGPEIOFHGETTJ-HNNXBMFYSA-N 1 0 334.376 1.316 20 5 EDBDRO C[C@H](CN1CCOCC1)N(C)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000278854559 443462296 /nfs/dbraw/zinc/46/22/96/443462296.db2.gz MDBOFXJVYWQQDU-GFCCVEGCSA-N 1 0 348.403 1.636 20 5 EDBDRO O=C1CC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2(CCC2)N1 ZINC000282925095 443471218 /nfs/dbraw/zinc/47/12/18/443471218.db2.gz YPHMETFKSMUAOT-HIFRSBDPSA-N 1 0 349.387 1.125 20 5 EDBDRO C[C@@H](NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000271743065 443512327 /nfs/dbraw/zinc/51/23/27/443512327.db2.gz WTZOVGPQFBFYOI-UONOGXRCSA-N 1 0 349.435 1.591 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@@](C)(C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423607217 319791558 /nfs/dbraw/zinc/79/15/58/319791558.db2.gz JBMLKFBHAJDDOJ-INIZCTEOSA-N 1 0 335.360 1.582 20 5 EDBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H]1CC[NH2+]C1 ZINC000273052974 443529330 /nfs/dbraw/zinc/52/93/30/443529330.db2.gz RGEVABORWBOQOH-CQSZACIVSA-N 1 0 335.407 1.880 20 5 EDBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000264967811 443494307 /nfs/dbraw/zinc/49/43/07/443494307.db2.gz OTCWXNLLSUISON-RYUDHWBXSA-N 1 0 339.417 1.671 20 5 EDBDRO C[C@H](C[NH+]1CCCCC1)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000272936930 443495150 /nfs/dbraw/zinc/49/51/50/443495150.db2.gz URWRIWGSIBFRRL-LLVKDONJSA-N 1 0 342.421 1.529 20 5 EDBDRO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000423819504 319816360 /nfs/dbraw/zinc/81/63/60/319816360.db2.gz AERQFKIVZVYLCG-CFVMTHIKSA-N 1 0 347.419 1.876 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272219145 443560262 /nfs/dbraw/zinc/56/02/62/443560262.db2.gz KDPYWGISTVGEEA-SNVBAGLBSA-N 1 0 335.389 1.814 20 5 EDBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](C)C1 ZINC000265189983 443563996 /nfs/dbraw/zinc/56/39/96/443563996.db2.gz KNMVYRJIYPEHOO-STQMWFEESA-N 1 0 338.408 1.790 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000272257442 443570995 /nfs/dbraw/zinc/57/09/95/443570995.db2.gz MJVRYCQXJDYIEG-WCQYABFASA-N 1 0 329.360 1.590 20 5 EDBDRO Cc1n[nH]c(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000274297689 443602943 /nfs/dbraw/zinc/60/29/43/443602943.db2.gz PFAFWSVGJAFPAU-RISCZKNCSA-N 1 0 343.387 1.877 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC([C@H](C)[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000440356646 320073740 /nfs/dbraw/zinc/07/37/40/320073740.db2.gz JLTVNCRVKXATGA-NSHDSACASA-N 1 0 327.406 1.651 20 5 EDBDRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000440807851 320080979 /nfs/dbraw/zinc/08/09/79/320080979.db2.gz PCTOUCNRXRWDQD-LBPRGKRZSA-N 1 0 327.406 1.485 20 5 EDBDRO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H]1[NH3+] ZINC000440847374 320083392 /nfs/dbraw/zinc/08/33/92/320083392.db2.gz VUBKUGBLMRBZRE-ONGXEEELSA-N 1 0 336.373 1.111 20 5 EDBDRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000441967226 320104007 /nfs/dbraw/zinc/10/40/07/320104007.db2.gz FNQFBOKEYINFCY-UHFFFAOYSA-N 1 0 348.403 1.832 20 5 EDBDRO Cc1sc(C(=O)N2CCC([N@@H+](C)C[C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000444366886 320127759 /nfs/dbraw/zinc/12/77/59/320127759.db2.gz PYNQKJDFIWNMIN-SNVBAGLBSA-N 1 0 341.433 1.882 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCCCN1CCO ZINC000449390336 320187826 /nfs/dbraw/zinc/18/78/26/320187826.db2.gz GJGOUJQRXMMKGP-INIZCTEOSA-N 1 0 337.420 1.930 20 5 EDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000449642737 320196150 /nfs/dbraw/zinc/19/61/50/320196150.db2.gz XTXGPSMSMLXPIZ-OCCSQVGLSA-N 1 0 348.403 1.348 20 5 EDBDRO CC(C)(C(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000449662933 320197855 /nfs/dbraw/zinc/19/78/55/320197855.db2.gz HTWQDDAIXGRGDX-GFCCVEGCSA-N 1 0 327.331 1.986 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000449711093 320200856 /nfs/dbraw/zinc/20/08/56/320200856.db2.gz CNFAEWJBJWKVDY-VXGBXAGGSA-N 1 0 329.360 1.638 20 5 EDBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1ccc(F)cc1[N+](=O)[O-] ZINC000452390817 320248835 /nfs/dbraw/zinc/24/88/35/320248835.db2.gz OYSAHGHSYWWUDD-LBPRGKRZSA-N 1 0 325.340 1.311 20 5 EDBDRO CC(C)(C)OC(=O)NC1CC([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000497145165 320420266 /nfs/dbraw/zinc/42/02/66/320420266.db2.gz LEYZIEPNGVBDRD-UHFFFAOYSA-N 1 0 325.369 1.437 20 5 EDBDRO Cc1nn(C)c(NCc2ccncc2OCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000288266503 443825152 /nfs/dbraw/zinc/82/51/52/443825152.db2.gz QBEYNUKBKLQIHO-UHFFFAOYSA-N 1 0 348.407 1.974 20 5 EDBDRO O=c1nc(C2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)[nH][nH]1 ZINC000281052701 443805556 /nfs/dbraw/zinc/80/55/56/443805556.db2.gz QZKDXOMXULKUJX-UHFFFAOYSA-N 1 0 333.348 1.265 20 5 EDBDRO CC(C)NC(=O)NC(=O)[C@@H](C)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000285165533 443879804 /nfs/dbraw/zinc/87/98/04/443879804.db2.gz AUGLCDAEYDZPOJ-GFCCVEGCSA-N 1 0 336.392 1.692 20 5 EDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1 ZINC000292966779 443891065 /nfs/dbraw/zinc/89/10/65/443891065.db2.gz LYVXHIRVRSGOGF-HNNXBMFYSA-N 1 0 347.375 1.395 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281268655 443864078 /nfs/dbraw/zinc/86/40/78/443864078.db2.gz HWPWZUIOCVLMPD-RISCZKNCSA-N 1 0 348.359 1.272 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000285310896 443937350 /nfs/dbraw/zinc/93/73/50/443937350.db2.gz QMFNQTBZPCUTGK-YCZSJOHXSA-N 1 0 331.372 1.540 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000285260572 443916081 /nfs/dbraw/zinc/91/60/81/443916081.db2.gz MKQYPGVGOHQLDG-JKSUJKDBSA-N 1 0 349.387 1.539 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000299395402 444036107 /nfs/dbraw/zinc/03/61/07/444036107.db2.gz ULJGMLRBQIHUKS-JSGCOSHPSA-N 1 0 348.403 1.687 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)C[NH+](C)C ZINC000299474576 444056195 /nfs/dbraw/zinc/05/61/95/444056195.db2.gz YVBULUIESVCJHG-JTQLQIEISA-N 1 0 336.392 1.464 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2[C@H]3CCc4ccccc4[C@@H]23)c1 ZINC000564852913 321151410 /nfs/dbraw/zinc/15/14/10/321151410.db2.gz UNAKLABDPOAELR-XLNGHYISSA-N 1 0 328.372 1.470 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)c(C)cc1[N+](=O)[O-] ZINC000565243684 321178620 /nfs/dbraw/zinc/17/86/20/321178620.db2.gz CQGJQMMWDYAXDK-CYBMUJFWSA-N 1 0 327.406 1.569 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000565244891 321178943 /nfs/dbraw/zinc/17/89/43/321178943.db2.gz KKQMHQMQZZXMEZ-VXGBXAGGSA-N 1 0 327.406 1.712 20 5 EDBDRO C[C@@H]1C[C@H](Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[N@@H+]1C1CC1 ZINC000569058102 321316126 /nfs/dbraw/zinc/31/61/26/321316126.db2.gz DZNGMLIOBLTHSE-ZJUUUORDSA-N 1 0 340.405 1.279 20 5 EDBDRO COc1cccc([C@H]2C[C@@H](O)C[N@@H+]2CCn2ccc([N+](=O)[O-])n2)c1 ZINC000282160978 444101710 /nfs/dbraw/zinc/10/17/10/444101710.db2.gz LSJWFTTVRBVZKZ-UKRRQHHQSA-N 1 0 332.360 1.608 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(Oc2ncnc3c2C[N@H+](C)CC3)c1 ZINC000299644007 444104104 /nfs/dbraw/zinc/10/41/04/444104104.db2.gz WJUJLGMAOGCVQG-UHFFFAOYSA-N 1 0 344.327 1.952 20 5 EDBDRO Cn1ccnc1[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000571587364 321393367 /nfs/dbraw/zinc/39/33/67/321393367.db2.gz PUFZIOCEXKEDDB-KGLIPLIRSA-N 1 0 346.387 1.558 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000285869119 444135826 /nfs/dbraw/zinc/13/58/26/444135826.db2.gz IYBCPBWNOGNHAN-BBRMVZONSA-N 1 0 335.404 1.898 20 5 EDBDRO O=c1[nH]cnc2cc(N3CC[C@H]([NH+]4CC=CC4)C3)c([N+](=O)[O-])cc12 ZINC000301444193 444172453 /nfs/dbraw/zinc/17/24/53/444172453.db2.gz JNGDRBRRINULHC-NSHDSACASA-N 1 0 327.344 1.694 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301542873 444178866 /nfs/dbraw/zinc/17/88/66/444178866.db2.gz NZZPMCFYGWHGBR-RYUDHWBXSA-N 1 0 331.376 1.379 20 5 EDBDRO CC(C)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[NH+]1CCN(C)CC1 ZINC000301940512 444197390 /nfs/dbraw/zinc/19/73/90/444197390.db2.gz UILVAQTYIWWFEL-ZDUSSCGKSA-N 1 0 347.423 1.321 20 5 EDBDRO C[NH+](C)CCN1CCC(Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301936602 444197500 /nfs/dbraw/zinc/19/75/00/444197500.db2.gz RNADLDPBBUWTJZ-UHFFFAOYSA-N 1 0 333.396 1.075 20 5 EDBDRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000290200219 444253717 /nfs/dbraw/zinc/25/37/17/444253717.db2.gz PANLZJAEXUUCSI-DLBZAZTESA-N 1 0 346.431 1.878 20 5 EDBDRO CCC[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000290238835 444258042 /nfs/dbraw/zinc/25/80/42/444258042.db2.gz SKUCWBQANXWGDO-CQSZACIVSA-N 1 0 329.422 1.917 20 5 EDBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000302809802 444225281 /nfs/dbraw/zinc/22/52/81/444225281.db2.gz GSYLOSUTRUKDMR-UHFFFAOYSA-N 1 0 327.406 1.752 20 5 EDBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000290068891 444238305 /nfs/dbraw/zinc/23/83/05/444238305.db2.gz VFTIWGYKTMWLCA-HZPDHXFCSA-N 1 0 332.404 1.632 20 5 EDBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000296579494 444239527 /nfs/dbraw/zinc/23/95/27/444239527.db2.gz UFOGGMNHCWLFJR-NEPJUHHUSA-N 1 0 329.422 1.882 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000297635312 444311447 /nfs/dbraw/zinc/31/14/47/444311447.db2.gz XIYQCRUEBPLPKG-WCQYABFASA-N 1 0 341.433 1.775 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000319815959 444325893 /nfs/dbraw/zinc/32/58/93/444325893.db2.gz LFTNCPALPHQEMZ-LBPRGKRZSA-N 1 0 339.417 1.856 20 5 EDBDRO CS(=O)(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000577648811 321670847 /nfs/dbraw/zinc/67/08/47/321670847.db2.gz KLGFAIUFJJWZFX-SMDDNHRTSA-N 1 0 339.417 1.596 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000318905590 444321486 /nfs/dbraw/zinc/32/14/86/444321486.db2.gz KNWMAQLNBZDNAS-SNVBAGLBSA-N 1 0 329.378 1.024 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000577952322 321698899 /nfs/dbraw/zinc/69/88/99/321698899.db2.gz DBQMDUKOSXAVQM-JGVFFNPUSA-N 1 0 335.357 1.147 20 5 EDBDRO Cc1nn(C)c(C)c1CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000577980473 321702161 /nfs/dbraw/zinc/70/21/61/321702161.db2.gz JVJQKBWDLRVUCR-AWEZNQCLSA-N 1 0 348.403 1.517 20 5 EDBDRO Cc1ccncc1CCC[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000290558158 444294899 /nfs/dbraw/zinc/29/48/99/444294899.db2.gz ZMDIWCKFDSMRED-ZWKOTPCHSA-N 1 0 345.399 1.915 20 5 EDBDRO Cc1cccc(OC[C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000578521711 321789005 /nfs/dbraw/zinc/78/90/05/321789005.db2.gz JHJPRKDOGMGHQD-DZGCQCFKSA-N 1 0 334.376 1.518 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)N2CCCN(C=O)CC2)cccc1[N+](=O)[O-] ZINC000298014090 444387387 /nfs/dbraw/zinc/38/73/87/444387387.db2.gz CQEBZDDSGAGKLZ-ZDUSSCGKSA-N 1 0 334.376 1.394 20 5 EDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000331400562 444470945 /nfs/dbraw/zinc/47/09/45/444470945.db2.gz NPXXDLFIWBNBDC-JSGCOSHPSA-N 1 0 333.392 1.798 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[NH2+]C(C)C ZINC000579688094 321961180 /nfs/dbraw/zinc/96/11/80/321961180.db2.gz WOWSXPLQKXTTAB-UHFFFAOYSA-N 1 0 336.392 1.600 20 5 EDBDRO O=C(CCC1CC[NH2+]CC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000580549261 322065082 /nfs/dbraw/zinc/06/50/82/322065082.db2.gz GXKPPMCRVILPEK-UHFFFAOYSA-N 1 0 335.408 1.735 20 5 EDBDRO C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCc2ccccc21 ZINC000581050212 322128135 /nfs/dbraw/zinc/12/81/35/322128135.db2.gz FTIYZWQMOQOQBG-CZUORRHYSA-N 1 0 345.403 1.193 20 5 EDBDRO Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000581186286 322146300 /nfs/dbraw/zinc/14/63/00/322146300.db2.gz PKNDOPCXFPVCGX-BBRMVZONSA-N 1 0 346.387 1.735 20 5 EDBDRO CNc1ccc(C(=O)NCC2(COC)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000581428531 322176560 /nfs/dbraw/zinc/17/65/60/322176560.db2.gz MFSWFJUVHKKYTQ-UHFFFAOYSA-N 1 0 336.392 1.383 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000340872882 444553540 /nfs/dbraw/zinc/55/35/40/444553540.db2.gz PXVPKJAUBKWLQA-UHFFFAOYSA-N 1 0 346.391 1.850 20 5 EDBDRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000342209594 444566611 /nfs/dbraw/zinc/56/66/11/444566611.db2.gz SXEKQYHEEVFHPH-ZIAGYGMSSA-N 1 0 344.371 1.288 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H]1c1ncc[nH]1 ZINC000343722743 444546516 /nfs/dbraw/zinc/54/65/16/444546516.db2.gz MQHQVRDCCRGUON-GXTWGEPZSA-N 1 0 332.360 1.895 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+](C)C[C@@H]1C ZINC000343795665 444597116 /nfs/dbraw/zinc/59/71/16/444597116.db2.gz XVOXFHLOUMFDPS-LBPRGKRZSA-N 1 0 336.392 1.568 20 5 EDBDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000340972607 444608270 /nfs/dbraw/zinc/60/82/70/444608270.db2.gz XCRJSUOOUIIAFH-KBPBESRZSA-N 1 0 332.404 1.441 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@H]2C[C@H](OC)C[N@H+]2C)c1 ZINC000343880336 444642992 /nfs/dbraw/zinc/64/29/92/444642992.db2.gz QWHFXPUXXNVIBH-OLZOCXBDSA-N 1 0 337.376 1.537 20 5 EDBDRO COC(=O)c1cn(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])nn1 ZINC000341257265 444751596 /nfs/dbraw/zinc/75/15/96/444751596.db2.gz URUMUULYGKEUPC-XQRVVYSFSA-N 1 0 331.332 1.276 20 5 EDBDRO CC(C)[C@@H]([NH3+])CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000336852292 444802249 /nfs/dbraw/zinc/80/22/49/444802249.db2.gz NLOUWJIKOVWNLI-NSHDSACASA-N 1 0 330.410 1.240 20 5 EDBDRO CC(=O)NC1CCC([N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000344147853 444807565 /nfs/dbraw/zinc/80/75/65/444807565.db2.gz RFOAGKMAPWUHMV-UHFFFAOYSA-N 1 0 348.403 1.912 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000342753786 444849248 /nfs/dbraw/zinc/84/92/48/444849248.db2.gz QFOSJWWBJPSMRK-RRFJBIMHSA-N 1 0 336.388 1.693 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000341756320 444987488 /nfs/dbraw/zinc/98/74/88/444987488.db2.gz SEYGEXPKJBAKBA-HOTGVXAUSA-N 1 0 347.346 1.704 20 5 EDBDRO CC(=O)N1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000337326094 445034207 /nfs/dbraw/zinc/03/42/07/445034207.db2.gz VTINAGBGHDAFNH-UHFFFAOYSA-N 1 0 348.403 1.866 20 5 EDBDRO Cn1nccc1[C@H]1[C@H](CNc2ccncc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000344487833 445005042 /nfs/dbraw/zinc/00/50/42/445005042.db2.gz FYWBDRVQPCFJFP-BLLLJJGKSA-N 1 0 330.392 1.640 20 5 EDBDRO COc1ccc(NC(=O)CN2C[C@@H](C)[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000330600924 445055454 /nfs/dbraw/zinc/05/54/54/445055454.db2.gz VMIADCSPWRSWTH-VXGBXAGGSA-N 1 0 336.392 1.566 20 5 EDBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000344607424 445085371 /nfs/dbraw/zinc/08/53/71/445085371.db2.gz LBOBQICMJWVSCN-ZDUSSCGKSA-N 1 0 337.424 1.763 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCCC[C@H]1CCO ZINC000342031246 445133532 /nfs/dbraw/zinc/13/35/32/445133532.db2.gz KPPHEYVMXQTVGY-LSDHHAIUSA-N 1 0 338.404 1.962 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCCC[C@@H]1CCO ZINC000342031240 445134015 /nfs/dbraw/zinc/13/40/15/445134015.db2.gz KPPHEYVMXQTVGY-CABCVRRESA-N 1 0 338.404 1.962 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000341981028 445106440 /nfs/dbraw/zinc/10/64/40/445106440.db2.gz DPBQYBCPYJGYKD-DOTOQJQBSA-N 1 0 336.388 1.837 20 5 EDBDRO Cc1ccc(C[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000343417820 445218801 /nfs/dbraw/zinc/21/88/01/445218801.db2.gz FBEYUEKCTRCLTM-DYVFJYSZSA-N 1 0 343.387 1.698 20 5 EDBDRO C[C@H]1[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCC[N@@H+]1C ZINC000343473927 445229806 /nfs/dbraw/zinc/22/98/06/445229806.db2.gz CMQNVIOZAHMNAN-SWLSCSKDSA-N 1 0 343.387 1.993 20 5 EDBDRO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CCC[N@@H+]1C ZINC000343488949 445232797 /nfs/dbraw/zinc/23/27/97/445232797.db2.gz ZMMAHJLRSTWWQU-GXSJLCMTSA-N 1 0 328.394 1.137 20 5 EDBDRO C[C@@H]1[C@H](NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCC[N@@H+]1C ZINC000343561645 445244543 /nfs/dbraw/zinc/24/45/43/445244543.db2.gz QHIJLJZDTIKIFY-ZYHUDNBSSA-N 1 0 348.359 1.102 20 5 EDBDRO CS(=O)(=O)c1ccc(N(CC[NH3+])Cc2ccco2)c([N+](=O)[O-])c1 ZINC000348902432 445434740 /nfs/dbraw/zinc/43/47/40/445434740.db2.gz COELOVUCOGGILV-UHFFFAOYSA-N 1 0 339.373 1.557 20 5 EDBDRO CC[C@H](O)C[NH+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000352023989 445447021 /nfs/dbraw/zinc/44/70/21/445447021.db2.gz CAZNCYWWZXENAX-LBPRGKRZSA-N 1 0 329.347 1.762 20 5 EDBDRO Cc1cc([C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)[nH]n1 ZINC000362711153 445512542 /nfs/dbraw/zinc/51/25/42/445512542.db2.gz NZZSZSIATPWEGS-CYBMUJFWSA-N 1 0 331.376 1.668 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000362762527 445537965 /nfs/dbraw/zinc/53/79/65/445537965.db2.gz KBVGNQVOEBPQRC-SNVBAGLBSA-N 1 0 343.330 1.252 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CC2(O)CCC2)c([N+](=O)[O-])c1 ZINC000353485157 445623359 /nfs/dbraw/zinc/62/33/59/445623359.db2.gz STFYBTXFVJJSNV-NSHDSACASA-N 1 0 337.376 1.777 20 5 EDBDRO C[NH+](C)CCOc1cccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC000353830524 445775139 /nfs/dbraw/zinc/77/51/39/445775139.db2.gz ZMXPKXXSWQOUOW-UHFFFAOYSA-N 1 0 345.359 1.765 20 5 EDBDRO COC(=O)C1CC[NH+](CCCNc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000354076218 445888973 /nfs/dbraw/zinc/88/89/73/445888973.db2.gz RGPRKGKWAVCLQV-UHFFFAOYSA-N 1 0 336.392 1.985 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000359137307 445974438 /nfs/dbraw/zinc/97/44/38/445974438.db2.gz HPEVBYBLUUJBEI-UHFFFAOYSA-N 1 0 346.387 1.857 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000354190992 445984877 /nfs/dbraw/zinc/98/48/77/445984877.db2.gz MTGSPQAGVVKFNS-OAHLLOKOSA-N 1 0 348.403 1.552 20 5 EDBDRO Cc1c(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)cccc1[N+](=O)[O-] ZINC000361790386 445946763 /nfs/dbraw/zinc/94/67/63/445946763.db2.gz UGRZTRSNLKDRSC-UHFFFAOYSA-N 1 0 346.391 1.983 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000356703221 445951019 /nfs/dbraw/zinc/95/10/19/445951019.db2.gz AGFMMATVXOJWLB-UHFFFAOYSA-N 1 0 335.339 1.459 20 5 EDBDRO CO[C@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000359239709 446071091 /nfs/dbraw/zinc/07/10/91/446071091.db2.gz OCXOPISPKCJETQ-KGLIPLIRSA-N 1 0 348.403 1.747 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359305574 446137809 /nfs/dbraw/zinc/13/78/09/446137809.db2.gz LNZYAPNGLQQAHP-SRVKXCTJSA-N 1 0 334.376 1.082 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000362023089 446159496 /nfs/dbraw/zinc/15/94/96/446159496.db2.gz NRGROXNNIHEVFF-SWLSCSKDSA-N 1 0 339.417 1.618 20 5 EDBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000362030304 446167294 /nfs/dbraw/zinc/16/72/94/446167294.db2.gz VXVWEDFXPHPABH-OWCLPIDISA-N 1 0 349.387 1.484 20 5 EDBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000366478182 446231481 /nfs/dbraw/zinc/23/14/81/446231481.db2.gz DCOCFAJSMZHDPX-ZIAGYGMSSA-N 1 0 331.372 1.813 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000362186595 446251556 /nfs/dbraw/zinc/25/15/56/446251556.db2.gz ZQUYKKZQKXHQEF-ZDUSSCGKSA-N 1 0 325.365 1.539 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 ZINC000365673369 446296138 /nfs/dbraw/zinc/29/61/38/446296138.db2.gz QMBLPPQKOGDMNW-ZIAGYGMSSA-N 1 0 333.388 1.886 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000366632854 446286121 /nfs/dbraw/zinc/28/61/21/446286121.db2.gz RAAQZHCEXKQAJM-KGLIPLIRSA-N 1 0 332.404 1.997 20 5 EDBDRO O=C1CCCN1CC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000366710767 446318872 /nfs/dbraw/zinc/31/88/72/446318872.db2.gz OXTLKPUJBPPAOS-KRWDZBQOSA-N 1 0 347.415 1.963 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000370674383 446381314 /nfs/dbraw/zinc/38/13/14/446381314.db2.gz UYVGILIUTCNSNC-RYUDHWBXSA-N 1 0 325.390 1.133 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC[C@@H]2Cn2ccnn2)c1 ZINC000370706405 446395856 /nfs/dbraw/zinc/39/58/56/446395856.db2.gz BESFOPQQZXPPQU-HZPDHXFCSA-N 1 0 331.376 1.774 20 5 EDBDRO CC(C)NC(=O)c1ccc(N2CC[NH2+]C[C@@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000420260999 446436646 /nfs/dbraw/zinc/43/66/46/446436646.db2.gz JVVZDESWOHYBQY-MRXNPFEDSA-N 1 0 338.383 1.871 20 5 EDBDRO [NH3+]CCC[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1 ZINC000420271233 446441884 /nfs/dbraw/zinc/44/18/84/446441884.db2.gz HHGJAGYDRFEFHD-ZDUSSCGKSA-N 1 0 326.360 2.530 20 5 EDBDRO NC(=O)c1ccc(N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000420276755 446446830 /nfs/dbraw/zinc/44/68/30/446446830.db2.gz HDQDCRHMXARWGZ-BBRMVZONSA-N 1 0 348.403 1.416 20 5 EDBDRO C[C@@]1(F)C[NH2+]CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420342902 446516068 /nfs/dbraw/zinc/51/60/68/446516068.db2.gz VYQDDUWKWWTITC-CQSZACIVSA-N 1 0 344.774 1.820 20 5 EDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418483954 446561616 /nfs/dbraw/zinc/56/16/16/446561616.db2.gz ZMUSQPOCMGWJTN-UONOGXRCSA-N 1 0 347.419 1.554 20 5 EDBDRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418369937 446518533 /nfs/dbraw/zinc/51/85/33/446518533.db2.gz OBFVHSSDWZIOLN-ZDUSSCGKSA-N 1 0 348.403 1.900 20 5 EDBDRO C[C@H]1OCC[C@@H]1[N@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411665959 446638771 /nfs/dbraw/zinc/63/87/71/446638771.db2.gz UIFYHPAEJZBSIY-DOMZBBRYSA-N 1 0 337.376 1.395 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c1C ZINC000420461677 446640921 /nfs/dbraw/zinc/64/09/21/446640921.db2.gz OVWBNMGJZAPHGM-IAQYHMDHSA-N 1 0 341.433 1.817 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000420475432 446649084 /nfs/dbraw/zinc/64/90/84/446649084.db2.gz WRXBLFOIPWCHEW-TZMCWYRMSA-N 1 0 341.433 1.574 20 5 EDBDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000423706202 446650760 /nfs/dbraw/zinc/65/07/60/446650760.db2.gz QFMXGKZXPFIGFE-GXTWGEPZSA-N 1 0 348.403 1.106 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCCC[NH2+]C1CC1 ZINC000420448912 446625196 /nfs/dbraw/zinc/62/51/96/446625196.db2.gz MLWNOYMCEPYIGW-UHFFFAOYSA-N 1 0 327.406 1.199 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000420454562 446631411 /nfs/dbraw/zinc/63/14/11/446631411.db2.gz MQIZHIARGGRNII-JSGCOSHPSA-N 1 0 341.433 1.526 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420455632 446633959 /nfs/dbraw/zinc/63/39/59/446633959.db2.gz MNQWQNWMMUIPOI-CHWSQXEVSA-N 1 0 339.417 1.605 20 5 EDBDRO C[C@@H](NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000418780969 446699315 /nfs/dbraw/zinc/69/93/15/446699315.db2.gz LAIJDWUHVHKYSC-DGCLKSJQSA-N 1 0 334.376 1.030 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000371227978 446703779 /nfs/dbraw/zinc/70/37/79/446703779.db2.gz FPALYWNPOOGIKR-MRXNPFEDSA-N 1 0 333.388 1.964 20 5 EDBDRO Cc1ccc(C(=O)NC[C@H]2CN3CCCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000371277317 446734697 /nfs/dbraw/zinc/73/46/97/446734697.db2.gz IQCRSUZENRLDFH-GJZGRUSLSA-N 1 0 333.388 1.886 20 5 EDBDRO [NH3+]C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCC1 ZINC000423936345 446787851 /nfs/dbraw/zinc/78/78/51/446787851.db2.gz CTKZMDMGZDABAT-GFCCVEGCSA-N 1 0 335.360 1.613 20 5 EDBDRO Nc1nc(NCC[NH+]2CCC3(CCCCC3)CC2)ncc1[N+](=O)[O-] ZINC000440665172 446849910 /nfs/dbraw/zinc/84/99/10/446849910.db2.gz AYUVLVCTBINXQR-UHFFFAOYSA-N 1 0 334.424 1.847 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000424015611 446823980 /nfs/dbraw/zinc/82/39/80/446823980.db2.gz MXLRRUARYCYKOC-VXGBXAGGSA-N 1 0 337.376 1.426 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000375469045 446824794 /nfs/dbraw/zinc/82/47/94/446824794.db2.gz MOPQMDAFZIGESZ-QGZVFWFLSA-N 1 0 330.388 1.898 20 5 EDBDRO Cc1nn(CCC(=O)N2C[C@H]([NH3+])Cc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000424078261 446842910 /nfs/dbraw/zinc/84/29/10/446842910.db2.gz QDYOSIYUYXEQHL-CQSZACIVSA-N 1 0 343.387 1.715 20 5 EDBDRO Cc1c(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cccc1[N+](=O)[O-] ZINC000454193885 446803988 /nfs/dbraw/zinc/80/39/88/446803988.db2.gz FFZFFOXJNJITSB-ZDUSSCGKSA-N 1 0 336.392 1.872 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420769785 446807620 /nfs/dbraw/zinc/80/76/20/446807620.db2.gz PQZNXBDEFKQOKS-GFCCVEGCSA-N 1 0 327.406 1.618 20 5 EDBDRO C[C@H](NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000419154564 446971103 /nfs/dbraw/zinc/97/11/03/446971103.db2.gz RRWAOCKRYMEPCB-YVEFUNNKSA-N 1 0 348.403 1.278 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000419154830 446972067 /nfs/dbraw/zinc/97/20/67/446972067.db2.gz AHDALKOPFLMKAE-GUTXKFCHSA-N 1 0 348.403 1.548 20 5 EDBDRO CNc1nc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000455100649 447050125 /nfs/dbraw/zinc/05/01/25/447050125.db2.gz NVEFJBCSPPAPFM-GFCCVEGCSA-N 1 0 335.408 1.882 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000375831072 447087067 /nfs/dbraw/zinc/08/70/67/447087067.db2.gz MIDAXZPHKRTLJH-GOEBONIOSA-N 1 0 332.404 1.873 20 5 EDBDRO COC(=O)c1cn([C@@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000368856983 447163232 /nfs/dbraw/zinc/16/32/32/447163232.db2.gz RQXOXCLYMOBTEL-CQSZACIVSA-N 1 0 345.359 1.462 20 5 EDBDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000377523013 447179052 /nfs/dbraw/zinc/17/90/52/447179052.db2.gz HMGWMLRCGPRXRS-MBNYWOFBSA-N 1 0 333.392 1.391 20 5 EDBDRO Cn1cc([C@@H]2OCC[C@H]2[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000425524475 447211179 /nfs/dbraw/zinc/21/11/79/447211179.db2.gz FYYXKVUZAPQOBN-CJNGLKHVSA-N 1 0 345.359 1.387 20 5 EDBDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3N)C2)CC1 ZINC000372728698 447251567 /nfs/dbraw/zinc/25/15/67/447251567.db2.gz SJVSEWQIEMFGLI-GFCCVEGCSA-N 1 0 347.419 1.075 20 5 EDBDRO CCc1ccc(C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000372732860 447254657 /nfs/dbraw/zinc/25/46/57/447254657.db2.gz SJHZPKRANYFOKQ-CYBMUJFWSA-N 1 0 335.404 1.686 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000421709174 447228258 /nfs/dbraw/zinc/22/82/58/447228258.db2.gz CVPKPXQUDICVJA-CQSZACIVSA-N 1 0 343.387 1.947 20 5 EDBDRO CC1CC[NH+](C[C@@H](O)CN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CC1 ZINC000447681128 447286510 /nfs/dbraw/zinc/28/65/10/447286510.db2.gz WKHAACVOADDHMH-ZDUSSCGKSA-N 1 0 333.392 1.398 20 5 EDBDRO C[NH+](C)CCN1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000369028565 447275137 /nfs/dbraw/zinc/27/51/37/447275137.db2.gz XBRCATMAGKGCDL-UHFFFAOYSA-N 1 0 335.408 1.696 20 5 EDBDRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000415478406 447469174 /nfs/dbraw/zinc/46/91/74/447469174.db2.gz YMTSKXUELORAOL-UHFFFAOYSA-N 1 0 338.364 1.176 20 5 EDBDRO CC[C@H](C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[NH+](CC)CC ZINC000457129584 447530076 /nfs/dbraw/zinc/53/00/76/447530076.db2.gz WOEHLRPPQSOQHS-CQSZACIVSA-N 1 0 349.435 1.759 20 5 EDBDRO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000495639569 447538530 /nfs/dbraw/zinc/53/85/30/447538530.db2.gz JUBOTOCNYDTFLJ-CYBMUJFWSA-N 1 0 339.396 1.734 20 5 EDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H]2CCCC[C@H]2C[NH3+])s1 ZINC000420186719 447660591 /nfs/dbraw/zinc/66/05/91/447660591.db2.gz AXSRKBMNLCGZPV-IUCAKERBSA-N 1 0 333.435 1.989 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[NH2+]Cc2cccnc2)n1 ZINC000420190492 447663132 /nfs/dbraw/zinc/66/31/32/447663132.db2.gz VTTMHQYUQAJAIL-UHFFFAOYSA-N 1 0 345.359 1.763 20 5 EDBDRO O=C(c1ccc(NC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000420228217 447679443 /nfs/dbraw/zinc/67/94/43/447679443.db2.gz KSQUNECOXUVIAS-GFCCVEGCSA-N 1 0 334.376 1.089 20 5 EDBDRO CON1CCC([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000459583865 447713939 /nfs/dbraw/zinc/71/39/39/447713939.db2.gz UVUHTASHBIZIGD-UHFFFAOYSA-N 1 0 336.392 1.881 20 5 EDBDRO CC(C)c1ccc(C(=O)NCCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000422711325 447723794 /nfs/dbraw/zinc/72/37/94/447723794.db2.gz FTUFWLPQHQTIJB-UHFFFAOYSA-N 1 0 334.420 1.743 20 5 EDBDRO CC(C)[C@@H]([NH3+])CCN(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000430595025 447782757 /nfs/dbraw/zinc/78/27/57/447782757.db2.gz TUVBVMRMNJYASO-HNNXBMFYSA-N 1 0 334.420 1.789 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](O)C2CCOCC2)n1 ZINC000570126908 447948749 /nfs/dbraw/zinc/94/87/49/447948749.db2.gz NWJVBVGEQNQRHS-ZNMIVQPWSA-N 1 0 338.408 1.652 20 5 EDBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000530594345 447923446 /nfs/dbraw/zinc/92/34/46/447923446.db2.gz DFDZJQXZUDJRBD-CQSZACIVSA-N 1 0 338.408 1.506 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000525819456 448032091 /nfs/dbraw/zinc/03/20/91/448032091.db2.gz OILDAUIJZHAYKX-NSHDSACASA-N 1 0 327.406 1.523 20 5 EDBDRO C[C@H](Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O)C(C)(C)C[NH+](C)C ZINC000531582771 448111072 /nfs/dbraw/zinc/11/10/72/448111072.db2.gz HOSRJNWKGRRGEX-JTQLQIEISA-N 1 0 344.437 1.630 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000571155178 448111707 /nfs/dbraw/zinc/11/17/07/448111707.db2.gz WWJFBAMYVOSQLX-KCJUWKMLSA-N 1 0 327.182 1.893 20 5 EDBDRO COc1ccc(CC[C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000571276901 448124477 /nfs/dbraw/zinc/12/44/77/448124477.db2.gz AWTSVSVJVPYYPX-XJKSGUPXSA-N 1 0 348.403 1.772 20 5 EDBDRO CNc1nccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000557564405 448186175 /nfs/dbraw/zinc/18/61/75/448186175.db2.gz ITKQRRYAOQHPLA-LBPRGKRZSA-N 1 0 349.435 2.272 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@H]3OCC[NH2+][C@@H]3C2)cccc1[N+](=O)[O-] ZINC000515174677 448270058 /nfs/dbraw/zinc/27/00/58/448270058.db2.gz NHTQYRCTTGZKSK-JGGQBBKZSA-N 1 0 348.403 1.293 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000591302487 448313425 /nfs/dbraw/zinc/31/34/25/448313425.db2.gz LRPZOWAHXXTFMO-GFCCVEGCSA-N 1 0 334.376 1.354 20 5 EDBDRO C[NH+](C)C[C@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])c2ccccc2O1 ZINC000591319562 448319630 /nfs/dbraw/zinc/31/96/30/448319630.db2.gz GEQSTHLWVPTVFB-JTQLQIEISA-N 1 0 331.332 1.287 20 5 EDBDRO O=[N+]([O-])c1cncc(Br)c1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591437015 448363360 /nfs/dbraw/zinc/36/33/60/448363360.db2.gz DPIBSJZJOOOCSM-PSASIEDQSA-N 1 0 327.182 1.941 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@H]4CC[NH2+][C@H]4C3)n2)c1 ZINC000591448880 448367470 /nfs/dbraw/zinc/36/74/70/448367470.db2.gz PFXMEBOIFPUSFB-FZMZJTMJSA-N 1 0 329.360 1.829 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000591452217 448368748 /nfs/dbraw/zinc/36/87/48/448368748.db2.gz BPCIYGBZBLZPGR-WDEREUQCSA-N 1 0 343.405 1.209 20 5 EDBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000577844127 448400739 /nfs/dbraw/zinc/40/07/39/448400739.db2.gz CHHNUXXDJLCQMQ-CQSZACIVSA-N 1 0 347.419 1.620 20 5 EDBDRO CCC[C@H](C)[C@H](CO)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000583086959 448421929 /nfs/dbraw/zinc/42/19/29/448421929.db2.gz BOAQQPCYJSYCGB-WFASDCNBSA-N 1 0 335.404 1.871 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccnc(NC)c2[N+](=O)[O-])C[C@H]1C ZINC000566444170 448471747 /nfs/dbraw/zinc/47/17/47/448471747.db2.gz BHYTVBHBZYWTMM-NEPJUHHUSA-N 1 0 335.408 1.976 20 5 EDBDRO Cc1ccc2c(c1C)OC[C@H]2[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591733508 448474662 /nfs/dbraw/zinc/47/46/62/448474662.db2.gz ARYJAFUUTCLUQK-DZGCQCFKSA-N 1 0 332.360 1.492 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCN(CC3CC3)C2)c1 ZINC000591735087 448476894 /nfs/dbraw/zinc/47/68/94/448476894.db2.gz QHKRTLAJDRMNIE-GOEBONIOSA-N 1 0 335.404 1.408 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2OCCc3ccccc32)c1 ZINC000591739701 448477728 /nfs/dbraw/zinc/47/77/28/448477728.db2.gz UUBYSOFTGVSLQT-GOEBONIOSA-N 1 0 332.360 1.056 20 5 EDBDRO CC[N@H+](C)CCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572899430 448492737 /nfs/dbraw/zinc/49/27/37/448492737.db2.gz OAPCRXFJPQJPEO-UHFFFAOYSA-N 1 0 333.392 1.870 20 5 EDBDRO CCS(=O)(=O)CCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566673887 448534306 /nfs/dbraw/zinc/53/43/06/448534306.db2.gz FLYWMMAOUKQXEF-UHFFFAOYSA-N 1 0 343.405 1.338 20 5 EDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000567261808 448652526 /nfs/dbraw/zinc/65/25/26/448652526.db2.gz ONIHHFCAVQRPJM-STQMWFEESA-N 1 0 348.403 1.241 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000518307125 448662604 /nfs/dbraw/zinc/66/26/04/448662604.db2.gz NRXDFXKAAYIHML-CVEARBPZSA-N 1 0 348.403 1.900 20 5 EDBDRO COC[C@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131018 448700932 /nfs/dbraw/zinc/70/09/32/448700932.db2.gz PUAPBCNZZCDJKM-BZUAXINKSA-N 1 0 338.404 1.708 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]C[C@H]1C(F)F ZINC000579122695 448721591 /nfs/dbraw/zinc/72/15/91/448721591.db2.gz IQWOCCJFRXDQEC-NSHDSACASA-N 1 0 344.318 1.081 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000592245973 448761815 /nfs/dbraw/zinc/76/18/15/448761815.db2.gz KFLMEAOQHSTFAO-QMTHXVAHSA-N 1 0 333.344 1.205 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2SCCc3ccccc32)c1 ZINC000519141925 448745891 /nfs/dbraw/zinc/74/58/91/448745891.db2.gz TXFMVNHTNIQNLL-GDBMZVCRSA-N 1 0 348.428 1.772 20 5 EDBDRO CCc1ccc(S(=O)(=O)NC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000592366712 448806964 /nfs/dbraw/zinc/80/69/64/448806964.db2.gz JWSAYGFMOQJTHU-UHFFFAOYSA-N 1 0 327.406 1.705 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000592370508 448809302 /nfs/dbraw/zinc/80/93/02/448809302.db2.gz JEGDBCYJDBJGJB-GHMZBOCLSA-N 1 0 343.405 1.351 20 5 EDBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592375912 448811676 /nfs/dbraw/zinc/81/16/76/448811676.db2.gz PAZQSMMPXQHJPF-RYUDHWBXSA-N 1 0 340.405 1.143 20 5 EDBDRO O=C(C[C@H]1CSCC[NH2+]1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000579586372 448827093 /nfs/dbraw/zinc/82/70/93/448827093.db2.gz MCOMAFKEHOSTMR-NSHDSACASA-N 1 0 347.400 2.019 20 5 EDBDRO CN(CCN1CC[NH2+]CC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000592468043 448850734 /nfs/dbraw/zinc/85/07/34/448850734.db2.gz BBGDFMVDNDXOAC-UHFFFAOYSA-N 1 0 326.784 1.225 20 5 EDBDRO CC1(C)C[NH2+]CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592473966 448851772 /nfs/dbraw/zinc/85/17/72/448851772.db2.gz XXUCNVJUPYBHTB-UHFFFAOYSA-N 1 0 326.784 1.871 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+][C@@H](C(C)C)C1 ZINC000592484970 448857259 /nfs/dbraw/zinc/85/72/59/448857259.db2.gz LFTUKYIRSLLQAZ-CQSZACIVSA-N 1 0 336.392 1.472 20 5 EDBDRO CC(C)(C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)n1cc([N+](=O)[O-])cn1 ZINC000592555397 448897831 /nfs/dbraw/zinc/89/78/31/448897831.db2.gz YHDVJFZTRLFMHN-KGLIPLIRSA-N 1 0 349.435 1.765 20 5 EDBDRO CC(C)Oc1nc(N[C@H](CO)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000568782545 448919600 /nfs/dbraw/zinc/91/96/00/448919600.db2.gz TWWDFSNRNGFZIR-ZDUSSCGKSA-N 1 0 338.408 2.036 20 5 EDBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000547730511 448920628 /nfs/dbraw/zinc/92/06/28/448920628.db2.gz XATCOBIXTIYOKC-IJLUTSLNSA-N 1 0 335.408 1.668 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000548043283 448974307 /nfs/dbraw/zinc/97/43/07/448974307.db2.gz HRHRBCKHTNLHHB-GFCCVEGCSA-N 1 0 327.406 1.666 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000520953088 448940973 /nfs/dbraw/zinc/94/09/73/448940973.db2.gz SVBARBXKLHIWLX-HNNXBMFYSA-N 1 0 329.360 1.337 20 5 EDBDRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000521929401 449029268 /nfs/dbraw/zinc/02/92/68/449029268.db2.gz RHFQWFPEAZTASV-CYBMUJFWSA-N 1 0 341.433 1.399 20 5 EDBDRO CNc1ccc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000592898077 449041792 /nfs/dbraw/zinc/04/17/92/449041792.db2.gz BGWQMVUYXCQANY-UHFFFAOYSA-N 1 0 348.403 1.573 20 5 EDBDRO COC(=O)COc1ccc(CN2CC[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000575133908 449044120 /nfs/dbraw/zinc/04/41/20/449044120.db2.gz ANMQDURMIIEMLO-YPMHNXCESA-N 1 0 337.376 1.458 20 5 EDBDRO Nc1nccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000548742225 449093517 /nfs/dbraw/zinc/09/35/17/449093517.db2.gz TXPLQRLSTVAWBA-UHFFFAOYSA-N 1 0 333.392 1.520 20 5 EDBDRO CO[C@]1(CO)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000595657985 449101604 /nfs/dbraw/zinc/10/16/04/449101604.db2.gz GIPOMWRKLLRWFS-MRXNPFEDSA-N 1 0 337.376 1.397 20 5 EDBDRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593605690 449103166 /nfs/dbraw/zinc/10/31/66/449103166.db2.gz JOUXDDGGJCZYDS-LLVKDONJSA-N 1 0 328.394 1.000 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000599897274 449103669 /nfs/dbraw/zinc/10/36/69/449103669.db2.gz VOXXIKZWMVZFOI-JQWIXIFHSA-N 1 0 334.376 1.352 20 5 EDBDRO C[NH2+]CCOCCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000599937486 449116037 /nfs/dbraw/zinc/11/60/37/449116037.db2.gz VUZAZLQVZUAAGR-UHFFFAOYSA-N 1 0 336.392 1.505 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000590281836 449124083 /nfs/dbraw/zinc/12/40/83/449124083.db2.gz SEDABKKRSXXLOV-DOMZBBRYSA-N 1 0 346.387 1.258 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590282239 449124703 /nfs/dbraw/zinc/12/47/03/449124703.db2.gz UPPDUIOTYHGNPS-BXUZGUMPSA-N 1 0 332.360 1.004 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000595780826 449161846 /nfs/dbraw/zinc/16/18/46/449161846.db2.gz ITWFWICYPXIMDI-VQISRLSMSA-N 1 0 349.387 1.824 20 5 EDBDRO CCO[C@@H]1CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C[NH3+] ZINC000593737307 449172155 /nfs/dbraw/zinc/17/21/55/449172155.db2.gz UREWELFKXSHJQL-IUODEOHRSA-N 1 0 336.392 1.137 20 5 EDBDRO COc1ccc(S(=O)(=O)NCCC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000593733678 449169655 /nfs/dbraw/zinc/16/96/55/449169655.db2.gz YRDTZUVDSXGXGR-UHFFFAOYSA-N 1 0 343.405 1.271 20 5 EDBDRO COc1ccc(OCC[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595742101 449141783 /nfs/dbraw/zinc/14/17/83/449141783.db2.gz NWLKPZVIXNADSL-TZMCWYRMSA-N 1 0 349.387 1.583 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000597996327 449180872 /nfs/dbraw/zinc/18/08/72/449180872.db2.gz IQDVXNSHKXMKQQ-VXGBXAGGSA-N 1 0 336.392 1.170 20 5 EDBDRO O=C1CCCN1C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000595834069 449197137 /nfs/dbraw/zinc/19/71/37/449197137.db2.gz YDSVUZJMGVQOBR-AWEZNQCLSA-N 1 0 333.388 1.918 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCn1cncn1 ZINC000600130927 449206284 /nfs/dbraw/zinc/20/62/84/449206284.db2.gz ASRQQZDJTXXHCD-GFCCVEGCSA-N 1 0 332.364 1.583 20 5 EDBDRO C[N@@H+]1CCC[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000604199738 449190416 /nfs/dbraw/zinc/19/04/16/449190416.db2.gz UEGUJWJOJYUFNS-LBPRGKRZSA-N 1 0 329.360 1.605 20 5 EDBDRO O=C(C[N@@H+]1CC[C@@H]2COC[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595826925 449190889 /nfs/dbraw/zinc/19/08/89/449190889.db2.gz BDPLGQHLCZDFNG-KGLIPLIRSA-N 1 0 331.372 1.452 20 5 EDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000590752386 449272421 /nfs/dbraw/zinc/27/24/21/449272421.db2.gz MLFDUVZOXXFNHS-HONMWMINSA-N 1 0 335.360 1.853 20 5 EDBDRO CNc1ccc(C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000604511303 449240986 /nfs/dbraw/zinc/24/09/86/449240986.db2.gz RNLVYKXPNIKFCD-UHFFFAOYSA-N 1 0 332.364 1.647 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000604529849 449246733 /nfs/dbraw/zinc/24/67/33/449246733.db2.gz UPKJZYQCRPDRFE-UHFFFAOYSA-N 1 0 344.375 1.234 20 5 EDBDRO CC1(C)CC[NH2+][C@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595948492 449274418 /nfs/dbraw/zinc/27/44/18/449274418.db2.gz LPVZSMXXGLTVNY-RISCZKNCSA-N 1 0 333.392 1.391 20 5 EDBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000598193993 449289645 /nfs/dbraw/zinc/28/96/45/449289645.db2.gz CUHFHKILOYYRJC-AWEZNQCLSA-N 1 0 343.387 1.707 20 5 EDBDRO C[C@]1(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]C1 ZINC000595984858 449298139 /nfs/dbraw/zinc/29/81/39/449298139.db2.gz DKTHAOJGHRAYJM-KRWDZBQOSA-N 1 0 332.404 1.679 20 5 EDBDRO C[C@H]1C[NH+](CCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@H](C)O1 ZINC000611525400 449321747 /nfs/dbraw/zinc/32/17/47/449321747.db2.gz UCHITAUWVOCJFS-RYUDHWBXSA-N 1 0 338.408 1.581 20 5 EDBDRO Cc1c(C[NH3+])c(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)nn1C ZINC000595959133 449282007 /nfs/dbraw/zinc/28/20/07/449282007.db2.gz BOTDVESJAXHCEL-JTQLQIEISA-N 1 0 349.416 2.215 20 5 EDBDRO C[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCCCC2)O1 ZINC000594057708 449342474 /nfs/dbraw/zinc/34/24/74/449342474.db2.gz LVBYWHWTHGORHH-DZGCQCFKSA-N 1 0 338.408 1.576 20 5 EDBDRO C[C@@]1(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]C1 ZINC000596128311 449377329 /nfs/dbraw/zinc/37/73/29/449377329.db2.gz HLZSJOXMPYVWCI-CYBMUJFWSA-N 1 0 326.740 1.055 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600472047 449396897 /nfs/dbraw/zinc/39/68/97/449396897.db2.gz MJZBJDNJVAOFJT-AWEZNQCLSA-N 1 0 335.408 1.623 20 5 EDBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1(C)C ZINC000602168288 449399418 /nfs/dbraw/zinc/39/94/18/449399418.db2.gz BWXBJMVJOIRMIO-QWHCGFSZSA-N 1 0 335.360 1.782 20 5 EDBDRO C[C@H](C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000598450914 449401047 /nfs/dbraw/zinc/40/10/47/449401047.db2.gz JZLWSXAEIDFWKV-SUMWQHHRSA-N 1 0 347.415 1.756 20 5 EDBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000600537152 449430088 /nfs/dbraw/zinc/43/00/88/449430088.db2.gz YFVALOIJZNTZPZ-GFCCVEGCSA-N 1 0 347.293 1.410 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000596263510 449446067 /nfs/dbraw/zinc/44/60/67/449446067.db2.gz GEUBTJHVMNEARU-UHFFFAOYSA-N 1 0 337.424 1.451 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000598546438 449458998 /nfs/dbraw/zinc/45/89/98/449458998.db2.gz VRWNXIXIUOFYOR-AWEZNQCLSA-N 1 0 336.392 1.481 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c(C)c1[N+](=O)[O-] ZINC000598584071 449476034 /nfs/dbraw/zinc/47/60/34/449476034.db2.gz AXSIVMBAIHUHBP-OAHLLOKOSA-N 1 0 339.417 1.586 20 5 EDBDRO COC(=O)c1ccnc(NCCC[NH2+]C2CCCCC2)c1[N+](=O)[O-] ZINC000598586034 449476595 /nfs/dbraw/zinc/47/65/95/449476595.db2.gz COGAPNKBYBVKEH-UHFFFAOYSA-N 1 0 336.392 2.501 20 5 EDBDRO O=C1[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1C1CCC1 ZINC000600759448 449537356 /nfs/dbraw/zinc/53/73/56/449537356.db2.gz GPNKJGNFOHHECA-KBPBESRZSA-N 1 0 349.387 1.078 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000600768175 449540737 /nfs/dbraw/zinc/54/07/37/449540737.db2.gz DMCKANSOCVVBFP-UHFFFAOYSA-N 1 0 347.419 1.046 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000596539242 449545739 /nfs/dbraw/zinc/54/57/39/449545739.db2.gz NIYHAYNPKDXUEH-CQSZACIVSA-N 1 0 349.387 1.417 20 5 EDBDRO O=[N+]([O-])c1c(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)nc2sccn21 ZINC000596539238 449545913 /nfs/dbraw/zinc/54/59/13/449545913.db2.gz NFQAIJSSELLUIP-NSHDSACASA-N 1 0 337.405 1.339 20 5 EDBDRO O=[N+]([O-])c1cnccc1NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000596422794 449495911 /nfs/dbraw/zinc/49/59/11/449495911.db2.gz GKPYOZQVVZUJRE-OAHLLOKOSA-N 1 0 328.372 1.590 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602310538 449505181 /nfs/dbraw/zinc/50/51/81/449505181.db2.gz VUUQBRKEISYIKK-ZDUSSCGKSA-N 1 0 329.360 1.789 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(NC[C@H]3CCC[N@H+](CC4CC4)C3)nn21 ZINC000596570018 449556380 /nfs/dbraw/zinc/55/63/80/449556380.db2.gz GXJBKEOZOOGZJJ-CYBMUJFWSA-N 1 0 330.392 2.171 20 5 EDBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598716241 449559497 /nfs/dbraw/zinc/55/94/97/449559497.db2.gz DBSBXGVNHOJIIV-ZDUSSCGKSA-N 1 0 341.433 1.974 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598716928 449560528 /nfs/dbraw/zinc/56/05/28/449560528.db2.gz WGTVMGQPMWKQIV-ZYHUDNBSSA-N 1 0 327.406 1.569 20 5 EDBDRO C[NH2+]C1(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCC1 ZINC000600823614 449564429 /nfs/dbraw/zinc/56/44/29/449564429.db2.gz HEKSZTSLZMVDSL-UHFFFAOYSA-N 1 0 329.360 1.652 20 5 EDBDRO Cn1ccnc1[C@@H](NCC12CC(C1)C[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000596651203 449587638 /nfs/dbraw/zinc/58/76/38/449587638.db2.gz BIAKEGVGVPTKCJ-VXKCQOAXSA-N 1 0 327.388 1.759 20 5 EDBDRO NC(=O)c1ccc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000594598822 449588994 /nfs/dbraw/zinc/58/89/94/449588994.db2.gz KANKHYKAVJYMLT-AWEZNQCLSA-N 1 0 348.403 1.385 20 5 EDBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594601538 449590737 /nfs/dbraw/zinc/59/07/37/449590737.db2.gz CLACCAYKQOYYPH-NWDGAFQWSA-N 1 0 344.371 1.407 20 5 EDBDRO CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000602471752 449618820 /nfs/dbraw/zinc/61/88/20/449618820.db2.gz HNODTKPYIQEWOS-WBVHZDCISA-N 1 0 348.403 1.010 20 5 EDBDRO COC(=O)CCN1CC[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000594729075 449651963 /nfs/dbraw/zinc/65/19/63/449651963.db2.gz IYINHIWHYCYYTE-JSGCOSHPSA-N 1 0 349.387 1.718 20 5 EDBDRO COC(=O)c1ccnc(N2CCc3[nH+]ccc(N)c3C2)c1[N+](=O)[O-] ZINC000598942679 449661467 /nfs/dbraw/zinc/66/14/67/449661467.db2.gz OFEJXNOMHXWGLZ-UHFFFAOYSA-N 1 0 329.316 1.316 20 5 EDBDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000598994717 449686343 /nfs/dbraw/zinc/68/63/43/449686343.db2.gz HRQIECCMJZCICV-ZIAGYGMSSA-N 1 0 341.433 1.853 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@]1(CO)COCC2(CCC2)N1C ZINC000598991201 449683857 /nfs/dbraw/zinc/68/38/57/449683857.db2.gz WEMZXCYGHYRZDW-SFHVURJKSA-N 1 0 349.431 1.609 20 5 EDBDRO C[C@@H](CC[NH+](C)C)NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598899241 449636659 /nfs/dbraw/zinc/63/66/59/449636659.db2.gz ZHYQNMLTHPRFCO-NSHDSACASA-N 1 0 337.380 1.173 20 5 EDBDRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000598913282 449644522 /nfs/dbraw/zinc/64/45/22/449644522.db2.gz HUEWGFJFYKHTDM-CQSZACIVSA-N 1 0 345.363 1.514 20 5 EDBDRO CC(C)(CO)[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000612444736 449709623 /nfs/dbraw/zinc/70/96/23/449709623.db2.gz DGMOJDMMPXQRAH-UHFFFAOYSA-N 1 0 331.376 1.431 20 5 EDBDRO COC(=O)C[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CCO1 ZINC000599054190 449712262 /nfs/dbraw/zinc/71/22/62/449712262.db2.gz HFDUIJZUCNPKPT-LBPRGKRZSA-N 1 0 331.328 1.911 20 5 EDBDRO COC(=O)[C@@H]1C[C@H](O)CN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599093753 449728382 /nfs/dbraw/zinc/72/83/82/449728382.db2.gz RIDIBROXBFBUIG-NEPJUHHUSA-N 1 0 331.328 1.503 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1C ZINC000599102384 449733512 /nfs/dbraw/zinc/73/35/12/449733512.db2.gz DUVVNMSRHAFRAZ-VXGBXAGGSA-N 1 0 327.406 1.630 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000599103388 449735331 /nfs/dbraw/zinc/73/53/31/449735331.db2.gz PZYKMAUGCRXAFK-CQSZACIVSA-N 1 0 341.433 1.776 20 5 EDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000602583982 449687052 /nfs/dbraw/zinc/68/70/52/449687052.db2.gz UXXXRRPWYQFKAO-MRXNPFEDSA-N 1 0 347.415 1.754 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000602583056 449687357 /nfs/dbraw/zinc/68/73/57/449687357.db2.gz OTVKMLZNHUATNY-KRWDZBQOSA-N 1 0 347.415 1.754 20 5 EDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594777390 449689484 /nfs/dbraw/zinc/68/94/84/449689484.db2.gz DRFQIIKLAOBTDK-VXGBXAGGSA-N 1 0 340.405 1.237 20 5 EDBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602589549 449691372 /nfs/dbraw/zinc/69/13/72/449691372.db2.gz FDZVRIKUEQNWGH-GASCZTMLSA-N 1 0 344.415 1.774 20 5 EDBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594779911 449691738 /nfs/dbraw/zinc/69/17/38/449691738.db2.gz UKKVBUCUUWTFHW-NSHDSACASA-N 1 0 330.410 1.389 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599108050 449740641 /nfs/dbraw/zinc/74/06/41/449740641.db2.gz QIHATQNIPRTADE-ZDUSSCGKSA-N 1 0 339.417 1.775 20 5 EDBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000602709124 449761454 /nfs/dbraw/zinc/76/14/54/449761454.db2.gz BELQRFCGXYWMIK-CYBMUJFWSA-N 1 0 345.321 1.864 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCc4n[nH]cc4C3)CC2)cn1 ZINC000602719827 449766535 /nfs/dbraw/zinc/76/65/35/449766535.db2.gz AIONQGCWSSWWHC-UHFFFAOYSA-N 1 0 328.376 1.740 20 5 EDBDRO NS(=O)(=O)c1cccc(N[C@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000612657668 449818692 /nfs/dbraw/zinc/81/86/92/449818692.db2.gz QJUCACNOJOUROS-NSHDSACASA-N 1 0 340.405 1.138 20 5 EDBDRO COC[C@H](CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)OC ZINC000594956162 449819055 /nfs/dbraw/zinc/81/90/55/449819055.db2.gz VGPXIUKGOZQJNU-LBPRGKRZSA-N 1 0 326.349 1.507 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000602828811 449839484 /nfs/dbraw/zinc/83/94/84/449839484.db2.gz UZBIBFDWEWXONS-KRWDZBQOSA-N 1 0 343.431 1.958 20 5 EDBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC[C@H](O)C2)nc1-c1ccccc1 ZINC000599199666 449793593 /nfs/dbraw/zinc/79/35/93/449793593.db2.gz OWVODEIOEZTBCI-AWEZNQCLSA-N 1 0 328.372 2.135 20 5 EDBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CN(C)CCO1 ZINC000612616848 449800783 /nfs/dbraw/zinc/80/07/83/449800783.db2.gz OJZHKEBJOVEHDK-TVQRCGJNSA-N 1 0 326.328 1.575 20 5 EDBDRO O=[N+]([O-])c1cccc2c1CCN2S(=O)(=O)CCC[NH+]1CCCC1 ZINC000601350656 449863959 /nfs/dbraw/zinc/86/39/59/449863959.db2.gz UPUGDVGIEFQWDL-UHFFFAOYSA-N 1 0 339.417 1.773 20 5 EDBDRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000597190442 449865037 /nfs/dbraw/zinc/86/50/37/449865037.db2.gz JZUSXGRZEDXGJO-OSAQELSMSA-N 1 0 342.417 1.318 20 5 EDBDRO CCN(C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[C@H]1CC[N@H+](C)C1 ZINC000595101269 449868272 /nfs/dbraw/zinc/86/82/72/449868272.db2.gz CRULANVECVRANE-ZDUSSCGKSA-N 1 0 348.403 1.703 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)c(C)cc1[N+](=O)[O-] ZINC000595106404 449872433 /nfs/dbraw/zinc/87/24/33/449872433.db2.gz WLSIXHRJGCSJKF-GFCCVEGCSA-N 1 0 327.406 1.632 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)c(C)cc1[N+](=O)[O-] ZINC000595106405 449872534 /nfs/dbraw/zinc/87/25/34/449872534.db2.gz WLSIXHRJGCSJKF-LBPRGKRZSA-N 1 0 327.406 1.632 20 5 EDBDRO C[C@@H]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](CO)C1 ZINC000602932364 449932107 /nfs/dbraw/zinc/93/21/07/449932107.db2.gz VWNJEKXRVTUYMZ-DOMZBBRYSA-N 1 0 333.388 1.577 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000601420212 449937225 /nfs/dbraw/zinc/93/72/25/449937225.db2.gz CEGWFJRTRCUVHX-BXUZGUMPSA-N 1 0 341.433 1.870 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccccc2)[C@]2(CO)CCOC2)c1 ZINC000599395483 449940690 /nfs/dbraw/zinc/94/06/90/449940690.db2.gz DQVKLVQOAOMTDT-KRWDZBQOSA-N 1 0 346.387 1.445 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2c(C)cncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602951917 449954159 /nfs/dbraw/zinc/95/41/59/449954159.db2.gz LZUSNBWZBOCJQP-STQMWFEESA-N 1 0 335.408 1.914 20 5 EDBDRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000599415250 449961088 /nfs/dbraw/zinc/96/10/88/449961088.db2.gz LVYMQXLMFYAOCH-CQSZACIVSA-N 1 0 341.433 1.746 20 5 EDBDRO COc1ccc(OCC[N@H+]2C[C@@H](OC)C[C@@]2(C)CO)c([N+](=O)[O-])c1 ZINC000602964004 449965845 /nfs/dbraw/zinc/96/58/45/449965845.db2.gz LTIZFPBXMGJDDU-BBRMVZONSA-N 1 0 340.376 1.454 20 5 EDBDRO COc1ccc(C[NH2+]CCCN2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000609288331 449998282 /nfs/dbraw/zinc/99/82/82/449998282.db2.gz XQTLDJJUOMPVMV-UHFFFAOYSA-N 1 0 343.405 1.119 20 5 EDBDRO Cc1noc(CN2CCC(CC[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000595297642 450011742 /nfs/dbraw/zinc/01/17/42/450011742.db2.gz IEKKJBNIFVGKGV-UHFFFAOYSA-N 1 0 338.408 1.826 20 5 EDBDRO C[C@@]1(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC000597433254 450017003 /nfs/dbraw/zinc/01/70/03/450017003.db2.gz PZLBJDSARRHFBF-CQSZACIVSA-N 1 0 326.784 1.842 20 5 EDBDRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000609547884 450049003 /nfs/dbraw/zinc/04/90/03/450049003.db2.gz LMTWPUZMUMDCSL-CQSZACIVSA-N 1 0 333.392 1.123 20 5 EDBDRO CC[NH+](CC)CCO[C@H]1CCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595334936 450049659 /nfs/dbraw/zinc/04/96/59/450049659.db2.gz BRHIQUMEVHYCNV-ZDUSSCGKSA-N 1 0 326.397 1.824 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000615293334 450050521 /nfs/dbraw/zinc/05/05/21/450050521.db2.gz JRLKZXKOFSAUFO-HUUCEWRRSA-N 1 0 341.433 1.539 20 5 EDBDRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601612161 450111614 /nfs/dbraw/zinc/11/16/14/450111614.db2.gz JZDXHAAVWRJNBB-NSHDSACASA-N 1 0 325.340 1.311 20 5 EDBDRO Cc1noc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595406334 450117682 /nfs/dbraw/zinc/11/76/82/450117682.db2.gz CBXDMXVKHXLULL-JSGCOSHPSA-N 1 0 337.424 1.349 20 5 EDBDRO Cc1noc(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1[N+](=O)[O-] ZINC000595450191 450151558 /nfs/dbraw/zinc/15/15/58/450151558.db2.gz SEOPEVVXGOXGKE-INIZCTEOSA-N 1 0 328.328 1.987 20 5 EDBDRO C[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000597624356 450153804 /nfs/dbraw/zinc/15/38/04/450153804.db2.gz HQTBHDMCBUQDDG-XJKSGUPXSA-N 1 0 332.404 1.204 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H](CCO)C1 ZINC000610213830 450154569 /nfs/dbraw/zinc/15/45/69/450154569.db2.gz USEZOMPIRDVSJC-CYBMUJFWSA-N 1 0 349.387 1.987 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599669049 450140718 /nfs/dbraw/zinc/14/07/18/450140718.db2.gz ATQGMYBVMNQIGS-WZRBSPASSA-N 1 0 337.376 1.633 20 5 EDBDRO O=C(C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)NC1CCCC1 ZINC000618571663 450249387 /nfs/dbraw/zinc/24/93/87/450249387.db2.gz HDICOXOFKKMHLI-KGLIPLIRSA-N 1 0 335.408 1.923 20 5 EDBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619498444 450492324 /nfs/dbraw/zinc/49/23/24/450492324.db2.gz DSOONQDRNWMMBV-LLVKDONJSA-N 1 0 345.421 1.612 20 5 EDBDRO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000282255837 518180852 /nfs/dbraw/zinc/18/08/52/518180852.db2.gz GVWUXPKITWSXSW-WCBMZHEXSA-N 1 0 340.767 1.443 20 5 EDBDRO Nc1cc[nH+]cc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000188107220 534743659 /nfs/dbraw/zinc/74/36/59/534743659.db2.gz POQAAFBXSQBDAP-UHFFFAOYSA-N 1 0 327.344 1.534 20 5 EDBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000186802192 527030416 /nfs/dbraw/zinc/03/04/16/527030416.db2.gz XGFJSRYVLHHDEL-UHFFFAOYSA-N 1 0 337.424 1.952 20 5 EDBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000183339264 527500721 /nfs/dbraw/zinc/50/07/21/527500721.db2.gz LXABBWIMIPZEKM-VWILAXROSA-N 1 0 347.415 1.961 20 5 EDBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000184403585 529146989 /nfs/dbraw/zinc/14/69/89/529146989.db2.gz HZAPAXWRFOQRBJ-ZDUSSCGKSA-N 1 0 349.435 1.180 20 5 EDBDRO C[NH+](C)CCOCCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000345925602 535895757 /nfs/dbraw/zinc/89/57/57/535895757.db2.gz DHVXGZXMUCTLJG-UHFFFAOYSA-N 1 0 334.376 1.313 20 5 EDBDRO CN(CC[NH+]1CCCC1)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067300239 536371679 /nfs/dbraw/zinc/37/16/79/536371679.db2.gz NTFRENSSKZKBNZ-UHFFFAOYSA-N 1 0 344.375 1.343 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CC[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000353232767 536476587 /nfs/dbraw/zinc/47/65/87/536476587.db2.gz LULLUSJKUSGJHJ-CHWSQXEVSA-N 1 0 338.360 1.804 20 5 EDBDRO COC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000353149014 536637512 /nfs/dbraw/zinc/63/75/12/536637512.db2.gz HBOGUKHRVPUOKX-LLVKDONJSA-N 1 0 336.344 1.960 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2(O)CCS(=O)(=O)CC2)c1 ZINC000741261969 579406090 /nfs/dbraw/zinc/40/60/90/579406090.db2.gz SRVWPECXGVIEEI-UHFFFAOYSA-N 1 0 348.808 1.278 20 5 EDBDRO C[C@H](NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000729497271 578577834 /nfs/dbraw/zinc/57/78/34/578577834.db2.gz PYZKETXZIXDDIL-RCBQFDQVSA-N 1 0 348.403 1.818 20 5 EDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000734447432 578814772 /nfs/dbraw/zinc/81/47/72/578814772.db2.gz OKGJNOSCVQIXFS-AWEZNQCLSA-N 1 0 349.387 1.586 20 5 EDBDRO CC[C@H](C(=O)OCCn1cc([N+](=O)[O-])ccc1=O)[NH+](CC)CC ZINC000761403854 580056741 /nfs/dbraw/zinc/05/67/41/580056741.db2.gz MVXBYZCBCRVBRJ-CYBMUJFWSA-N 1 0 325.365 1.420 20 5 EDBDRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000745942247 579568064 /nfs/dbraw/zinc/56/80/64/579568064.db2.gz CAZJQHQMQUNNGW-SNVBAGLBSA-N 1 0 331.369 1.354 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000746883054 579614327 /nfs/dbraw/zinc/61/43/27/579614327.db2.gz PMNPNEVKMLIINW-LBPRGKRZSA-N 1 0 329.360 1.297 20 5 EDBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)c21 ZINC000754026874 579894265 /nfs/dbraw/zinc/89/42/65/579894265.db2.gz VVTWYCHTUGPCLC-VXGBXAGGSA-N 1 0 329.360 1.813 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000756797144 579957142 /nfs/dbraw/zinc/95/71/42/579957142.db2.gz CTKPWNOZSAXNGV-UHFFFAOYSA-N 1 0 325.413 1.656 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)OC[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC000765972788 580155509 /nfs/dbraw/zinc/15/55/09/580155509.db2.gz TUNSZVDTUOHARY-LBPRGKRZSA-N 1 0 334.332 1.592 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC[S@@](C)=O ZINC000766049989 580157594 /nfs/dbraw/zinc/15/75/94/580157594.db2.gz NUXYCAUBZVCSEY-RKFFSXRUSA-N 1 0 327.406 1.670 20 5 EDBDRO Cn1cc([C@@H](O)C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000766186921 580161246 /nfs/dbraw/zinc/16/12/46/580161246.db2.gz YWCFZTDKCYQWHK-KRWDZBQOSA-N 1 0 345.403 1.620 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCN(CC(F)F)CC2)cc1 ZINC000776597261 580423497 /nfs/dbraw/zinc/42/34/97/580423497.db2.gz IOJUSKRQFLEYRQ-AWEZNQCLSA-N 1 0 329.347 1.901 20 5 EDBDRO C[NH+](C)CCOCCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778423569 580464882 /nfs/dbraw/zinc/46/48/82/580464882.db2.gz SPWYDBBCMYLQQF-UHFFFAOYSA-N 1 0 331.319 1.381 20 5 EDBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000792019756 580807982 /nfs/dbraw/zinc/80/79/82/580807982.db2.gz HYCIKLUQWBBMEE-UHFFFAOYSA-N 1 0 336.392 1.563 20 5 EDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)NCCc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000893266848 590744614 /nfs/dbraw/zinc/74/46/14/590744614.db2.gz UVJPMSWICXDVLZ-PBHICJAKSA-N 1 0 332.404 1.730 20 5 EDBDRO CN1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@H+](C)CC1 ZINC000888998925 590753694 /nfs/dbraw/zinc/75/36/94/590753694.db2.gz RBBUIOUEWUWTDK-YVMONPNESA-N 1 0 332.404 1.314 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000892211683 590865863 /nfs/dbraw/zinc/86/58/63/590865863.db2.gz LBDYLTZEXRWARW-OCCSQVGLSA-N 1 0 334.376 1.449 20 5 EDBDRO COC(=O)[C@@H]1[C@H](CN(CC[NH3+])c2ccccc2[N+](=O)[O-])C1(F)F ZINC000894762305 591413489 /nfs/dbraw/zinc/41/34/89/591413489.db2.gz VKQINOCVBBABGF-CABZTGNLSA-N 1 0 329.303 1.414 20 5 EDBDRO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCN1C ZINC000896536071 591501045 /nfs/dbraw/zinc/50/10/45/591501045.db2.gz UXVFHBKPZHQWDZ-VJUNAUMWSA-N 1 0 346.431 1.449 20 5 EDBDRO C[C@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000896539224 591502120 /nfs/dbraw/zinc/50/21/20/591502120.db2.gz KRWAKHJGTCCHIH-XJKSGUPXSA-N 1 0 348.447 1.623 20 5 EDBDRO C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1C[N@H+](C)CCN1C ZINC000896570870 591531371 /nfs/dbraw/zinc/53/13/71/591531371.db2.gz FWDAMOVDYXDJJP-MEDUHNTESA-N 1 0 345.403 1.440 20 5 EDBDRO CCC1([NH+]2CCC2)CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000899559458 591850303 /nfs/dbraw/zinc/85/03/03/591850303.db2.gz SISOSYYIZZUCJJ-UHFFFAOYSA-N 1 0 334.376 1.786 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2ncn(CN3CCC[C@@H]3C3OCCO3)n2)c1 ZINC000902623302 592028454 /nfs/dbraw/zinc/02/84/54/592028454.db2.gz WYNROHRFADPWCQ-CQSZACIVSA-N 1 0 345.359 1.648 20 5 EDBDRO COc1cc([C@@H](C)[NH2+][C@H]2CCc3nnn(C)c3C2)cc([N+](=O)[O-])c1 ZINC000903224852 592136476 /nfs/dbraw/zinc/13/64/76/592136476.db2.gz BUQFNHLHKXNONU-PWSUYJOCSA-N 1 0 331.376 1.940 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000900801822 592143092 /nfs/dbraw/zinc/14/30/92/592143092.db2.gz DZDJDJZYLBEQSY-GXFFZTMASA-N 1 0 340.811 1.612 20 5 EDBDRO C[C@H](C[NH2+][C@H]1C(=O)NCC12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000903244682 592143652 /nfs/dbraw/zinc/14/36/52/592143652.db2.gz BCNTXZWTQAFQAS-DOMZBBRYSA-N 1 0 333.388 1.583 20 5 EDBDRO CN1CCOC[C@@]1(CO)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000903281670 592151800 /nfs/dbraw/zinc/15/18/00/592151800.db2.gz QKKSJBFLOPYVEP-AEFFLSMTSA-N 1 0 349.431 1.199 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c1C ZINC000908026684 592271985 /nfs/dbraw/zinc/27/19/85/592271985.db2.gz ATZGGZJQEXNQRF-CQSZACIVSA-N 1 0 332.404 1.331 20 5 EDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccnn1CC[NH+](C)C ZINC000908127040 592341755 /nfs/dbraw/zinc/34/17/55/592341755.db2.gz WMDPPSDZPPAJCH-UHFFFAOYSA-N 1 0 345.403 1.668 20 5 EDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000907113987 592517009 /nfs/dbraw/zinc/51/70/09/592517009.db2.gz GCBRHQJHTOFTEY-HNNXBMFYSA-N 1 0 343.811 1.610 20 5 EDBDRO CCN(c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000905673361 592608420 /nfs/dbraw/zinc/60/84/20/592608420.db2.gz GSBGZRNLDCLDRY-AWEZNQCLSA-N 1 0 348.403 1.255 20 5 EDBDRO O=C([C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000912001195 593047757 /nfs/dbraw/zinc/04/77/57/593047757.db2.gz OPMLZANOOLLUDW-DVOMOZLQSA-N 1 0 330.388 1.099 20 5 EDBDRO C[N@@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H]1C(C)(C)C ZINC000912031375 593050338 /nfs/dbraw/zinc/05/03/38/593050338.db2.gz UCNQHJPQCHTDKY-ZDUSSCGKSA-N 1 0 337.424 1.715 20 5 EDBDRO COC(=O)[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[N@H+](C)C1 ZINC000839630864 593355391 /nfs/dbraw/zinc/35/53/91/593355391.db2.gz QEGYIVYPJZDAKF-GFCCVEGCSA-N 1 0 341.795 1.785 20 5 EDBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000803858393 593369305 /nfs/dbraw/zinc/36/93/05/593369305.db2.gz FBZJIADARYNTBI-ZDUSSCGKSA-N 1 0 337.376 1.564 20 5 EDBDRO C[NH+](C)CCn1nnnc1SCc1cc(F)ccc1[N+](=O)[O-] ZINC000840191462 593378155 /nfs/dbraw/zinc/37/81/55/593378155.db2.gz FRAYISAAEJKWDN-UHFFFAOYSA-N 1 0 326.357 1.574 20 5 EDBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000811600672 593474956 /nfs/dbraw/zinc/47/49/56/593474956.db2.gz KNGRKWXKGZYQDL-BLLLJJGKSA-N 1 0 348.403 1.933 20 5 EDBDRO C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C[NH3+] ZINC000818009322 593656937 /nfs/dbraw/zinc/65/69/37/593656937.db2.gz POYXZSFFRVEXEA-GHMZBOCLSA-N 1 0 325.340 1.556 20 5 EDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000818563612 593704927 /nfs/dbraw/zinc/70/49/27/593704927.db2.gz PVWFFMMRXQDAOZ-CHWSQXEVSA-N 1 0 348.403 1.241 20 5 EDBDRO Cc1ncc2c(n1)CC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000818950415 593729866 /nfs/dbraw/zinc/72/98/66/593729866.db2.gz WOKWZFOZOSRBTC-YOEHRIQHSA-N 1 0 328.372 1.874 20 5 EDBDRO CC(C)(C)[S@](=O)CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819057364 593736159 /nfs/dbraw/zinc/73/61/59/593736159.db2.gz VSRXIBHVOFRAIZ-JCQPUDPBSA-N 1 0 344.433 1.471 20 5 EDBDRO CC(C)(C)[S@](=O)CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819056163 593736197 /nfs/dbraw/zinc/73/61/97/593736197.db2.gz JDNYTURPIUDGRP-DAOPMYJZSA-N 1 0 344.433 1.471 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H](O)COC2CCOCC2)c1 ZINC000819151446 593741618 /nfs/dbraw/zinc/74/16/18/593741618.db2.gz ZFPAAKRRQOHPPL-ZDUSSCGKSA-N 1 0 344.795 1.894 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCOC3(CCOCC3)C2)c1 ZINC000819177637 593743138 /nfs/dbraw/zinc/74/31/38/593743138.db2.gz VITXYTPXSZYNQL-HOCLYGCPSA-N 1 0 336.388 1.946 20 5 EDBDRO O=C1NCCc2ccc(C[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)cc21 ZINC000819228910 593745606 /nfs/dbraw/zinc/74/56/06/593745606.db2.gz LYZVZPMICROHEY-QGZVFWFLSA-N 1 0 341.367 1.704 20 5 EDBDRO COc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(OC)n1 ZINC000819321537 593750569 /nfs/dbraw/zinc/75/05/69/593750569.db2.gz IJXRHAQLIXZMBY-CQSZACIVSA-N 1 0 333.344 1.830 20 5 EDBDRO CC(C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1(O)CCOCC1 ZINC000819374485 593752472 /nfs/dbraw/zinc/75/24/72/593752472.db2.gz MCPAQJNOWYVUET-HNNXBMFYSA-N 1 0 338.404 1.786 20 5 EDBDRO CC(C)C[NH+]1CCC(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000820092839 593790455 /nfs/dbraw/zinc/79/04/55/593790455.db2.gz QGMATSQDHXHOCD-UHFFFAOYSA-N 1 0 346.395 1.702 20 5 EDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820426804 593818244 /nfs/dbraw/zinc/81/82/44/593818244.db2.gz NVJFMRUUKAXPHL-JTQLQIEISA-N 1 0 328.336 1.322 20 5 EDBDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000823728342 593843764 /nfs/dbraw/zinc/84/37/64/593843764.db2.gz XLSAPNMYQCDDGM-NSHDSACASA-N 1 0 341.795 1.825 20 5 EDBDRO CC[NH+](CC)CCCCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821189398 593986332 /nfs/dbraw/zinc/98/63/32/593986332.db2.gz LKTFGDWGUZUHPV-UHFFFAOYSA-N 1 0 334.384 1.704 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC000821231416 593993346 /nfs/dbraw/zinc/99/33/46/593993346.db2.gz CKKCMNOCQRZLRC-UHFFFAOYSA-N 1 0 335.408 1.577 20 5 EDBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NCC[NH+]1CCCC1 ZINC000822236936 594016737 /nfs/dbraw/zinc/01/67/37/594016737.db2.gz XOMLLDIZUPRNIW-UHFFFAOYSA-N 1 0 338.339 1.518 20 5 EDBDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000822998710 594134221 /nfs/dbraw/zinc/13/42/21/594134221.db2.gz UOWZMHSGEWJSKZ-GVDBMIGSSA-N 1 0 347.415 1.661 20 5 EDBDRO COCC(C)(C)[NH+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000823455000 594203812 /nfs/dbraw/zinc/20/38/12/594203812.db2.gz HLKWIVALRUUPDM-MRXNPFEDSA-N 1 0 337.420 1.671 20 5 EDBDRO CS[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000828372710 594404084 /nfs/dbraw/zinc/40/40/84/594404084.db2.gz LBBHRDFKNHQCID-OLZOCXBDSA-N 1 0 329.466 1.860 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000826673373 594551818 /nfs/dbraw/zinc/55/18/18/594551818.db2.gz JBPZXXAJZUSNBR-CQSZACIVSA-N 1 0 335.408 1.705 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)CC[C@@H]21 ZINC000827328295 594661572 /nfs/dbraw/zinc/66/15/72/594661572.db2.gz DPIKTAJALZKQFG-FZMZJTMJSA-N 1 0 347.371 1.532 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c(C)c1[N+](=O)[O-] ZINC000827330788 594661734 /nfs/dbraw/zinc/66/17/34/594661734.db2.gz RSLURLAWVKHSQP-ZIAGYGMSSA-N 1 0 335.408 1.351 20 5 EDBDRO CCc1ccc(S(=O)(=O)NCC[N@@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000827492492 594676999 /nfs/dbraw/zinc/67/69/99/594676999.db2.gz XZGAJSWXLJJLQF-GFCCVEGCSA-N 1 0 341.433 1.920 20 5 EDBDRO CCO[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C[NH+](C)C ZINC000831745607 594698832 /nfs/dbraw/zinc/69/88/32/594698832.db2.gz UFSXXKYLDMGWFP-CYBMUJFWSA-N 1 0 343.811 1.874 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c1 ZINC000832048651 594722104 /nfs/dbraw/zinc/72/21/04/594722104.db2.gz WPMXNGPMNKGARG-HIFRSBDPSA-N 1 0 336.392 1.799 20 5 EDBDRO C[C@H]1C[C@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c2nccn21 ZINC000832427093 594749622 /nfs/dbraw/zinc/74/96/22/594749622.db2.gz QNZYOVSYEKEHRD-WPRPVWTQSA-N 1 0 340.336 1.915 20 5 EDBDRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000841179808 594864410 /nfs/dbraw/zinc/86/44/10/594864410.db2.gz RYQYHUFVNLAPHV-KWQFWETISA-N 1 0 340.767 1.382 20 5 EDBDRO CCCC[C@@H](C[NH3+])NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841959670 594990213 /nfs/dbraw/zinc/99/02/13/594990213.db2.gz ZLDKTSXZVNLQDP-AWEZNQCLSA-N 1 0 349.435 1.944 20 5 EDBDRO C[C@H](CCCC[NH3+])NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841993291 594997369 /nfs/dbraw/zinc/99/73/69/594997369.db2.gz AROKNBLTBNAOGA-CQSZACIVSA-N 1 0 349.435 1.944 20 5 EDBDRO Cc1nc([N+](=O)[O-])c(-c2noc(C[C@@H](C)[C@@H]3CCC[NH2+]C3)n2)n1C ZINC000843222329 595042183 /nfs/dbraw/zinc/04/21/83/595042183.db2.gz PLWGSZJSOKTITM-MWLCHTKSSA-N 1 0 334.380 1.865 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000867324239 595061259 /nfs/dbraw/zinc/06/12/59/595061259.db2.gz VXPXJOVYBVKMTO-UHFFFAOYSA-N 1 0 347.824 1.739 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCO1 ZINC000843357101 595086285 /nfs/dbraw/zinc/08/62/85/595086285.db2.gz CJSCXMUWWPXUHM-MLGOLLRUSA-N 1 0 348.403 1.383 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843364616 595088593 /nfs/dbraw/zinc/08/85/93/595088593.db2.gz MPRJCUPWJQIEFC-UWVGGRQHSA-N 1 0 326.784 1.856 20 5 EDBDRO C[C@@]1(F)C[NH2+]CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843388426 595097446 /nfs/dbraw/zinc/09/74/46/595097446.db2.gz YWRHVQMPGPTDES-OAHLLOKOSA-N 1 0 342.346 1.696 20 5 EDBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000834382347 595107279 /nfs/dbraw/zinc/10/72/79/595107279.db2.gz LIWIVZOXGAJCNI-GFCCVEGCSA-N 1 0 335.320 1.192 20 5 EDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843428565 595108357 /nfs/dbraw/zinc/10/83/57/595108357.db2.gz KQNZEIHCICHIRZ-LLVKDONJSA-N 1 0 340.811 1.800 20 5 EDBDRO Cc1cc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)c(N)c([N+](=O)[O-])c1 ZINC000843455744 595116435 /nfs/dbraw/zinc/11/64/35/595116435.db2.gz VAKFNZUCNVWYKI-NSHDSACASA-N 1 0 341.371 1.949 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1F ZINC000842485826 595121127 /nfs/dbraw/zinc/12/11/27/595121127.db2.gz NFZAEALHYFRAHO-GXSJLCMTSA-N 1 0 345.396 1.648 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000843484053 595125999 /nfs/dbraw/zinc/12/59/99/595125999.db2.gz HSNUDDVZRTZFLV-NSHDSACASA-N 1 0 344.274 1.538 20 5 EDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000843798083 595189116 /nfs/dbraw/zinc/18/91/16/595189116.db2.gz PXLWSCPPNKAOCO-LLVKDONJSA-N 1 0 338.383 1.408 20 5 EDBDRO Cc1cc(S(=O)(=O)NC2CC3(CC([NH3+])C3)C2)ccc1[N+](=O)[O-] ZINC000842795748 595202135 /nfs/dbraw/zinc/20/21/35/595202135.db2.gz VPZOSKCUPVUBNP-UHFFFAOYSA-N 1 0 325.390 1.451 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc([N+](=O)[O-])c1F ZINC000842834733 595212208 /nfs/dbraw/zinc/21/22/08/595212208.db2.gz AIYKNDOBTUVIAQ-NXEZZACHSA-N 1 0 331.369 1.413 20 5 EDBDRO Cc1ccccc1[C@@H](O)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000843072938 595281306 /nfs/dbraw/zinc/28/13/06/595281306.db2.gz FILDBTXZRWUTIG-QAPCUYQASA-N 1 0 346.383 1.966 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](O)Cc2cccc(F)c2)c1 ZINC000843101609 595287723 /nfs/dbraw/zinc/28/77/23/595287723.db2.gz NHKYNAFDQXIJNC-SJORKVTESA-N 1 0 334.347 1.961 20 5 EDBDRO O=[N+]([O-])c1ccc2cnn(Cc3nc(CC4CC[NH2+]CC4)no3)c2c1 ZINC000843132694 595293975 /nfs/dbraw/zinc/29/39/75/595293975.db2.gz GQUKPXFHJHTVNT-UHFFFAOYSA-N 1 0 342.359 1.918 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(Cn3cnnc3)CC2)c1 ZINC000844412250 595340211 /nfs/dbraw/zinc/34/02/11/595340211.db2.gz OQKQYDLAWWHERI-INIZCTEOSA-N 1 0 331.376 1.632 20 5 EDBDRO COCC[N@@H+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000844431748 595342669 /nfs/dbraw/zinc/34/26/69/595342669.db2.gz NKKKQZQVEJBGPN-INIZCTEOSA-N 1 0 337.420 1.671 20 5 EDBDRO C[N@H+]1C[C@H]2CN(C(=O)C(F)(F)Oc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000848593144 595412524 /nfs/dbraw/zinc/41/25/24/595412524.db2.gz YWWIIEMKVHEYTA-PHIMTYICSA-N 1 0 341.314 1.586 20 5 EDBDRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848676338 595426540 /nfs/dbraw/zinc/42/65/40/595426540.db2.gz LDGFESNNBMTHJS-SZOQZIPDSA-N 1 0 337.420 1.716 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000850589081 595541035 /nfs/dbraw/zinc/54/10/35/595541035.db2.gz LAWRIYFWSXKBRZ-UHFFFAOYSA-N 1 0 335.813 1.914 20 5 EDBDRO CC(C)(CCC(=O)NCC1CC[NH+](C2CCOCC2)CC1)[N+](=O)[O-] ZINC000855201515 595623810 /nfs/dbraw/zinc/62/38/10/595623810.db2.gz VJWIEEZYAXZSKN-UHFFFAOYSA-N 1 0 341.452 1.829 20 5 EDBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000855361602 595685406 /nfs/dbraw/zinc/68/54/06/595685406.db2.gz BNWJYFMZGZFJAL-GFCCVEGCSA-N 1 0 336.348 1.978 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000856073182 595888131 /nfs/dbraw/zinc/88/81/31/595888131.db2.gz KSYSIBFHBBQBSW-WBMJQRKESA-N 1 0 346.387 1.688 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc([N+](=O)[O-])c1F ZINC000857235126 596194409 /nfs/dbraw/zinc/19/44/09/596194409.db2.gz OQYFWBZJNVNRPB-IINYFYTJSA-N 1 0 343.380 1.544 20 5 EDBDRO C[NH+](C)CC1CCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CC1 ZINC000870893627 596393363 /nfs/dbraw/zinc/39/33/63/596393363.db2.gz ZZLMVZRXHHMWEL-KRWDZBQOSA-N 1 0 334.420 1.569 20 5 EDBDRO O=[N+]([O-])c1ccc2nccc(NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)c2c1 ZINC000865484765 596588089 /nfs/dbraw/zinc/58/80/89/596588089.db2.gz ISILLXAVMVEBGI-KGLIPLIRSA-N 1 0 328.372 1.840 20 5 EDBDRO C[NH+]1CCC(N2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000863499555 596600816 /nfs/dbraw/zinc/60/08/16/596600816.db2.gz CJTGXZLKZBDUDX-MRXNPFEDSA-N 1 0 332.360 1.456 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868356070 596798917 /nfs/dbraw/zinc/79/89/17/596798917.db2.gz VIWYOEGVBNANLO-UHFFFAOYSA-N 1 0 338.408 1.671 20 5 EDBDRO CCOC1CC2(C[C@@H]2[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000872251658 596854311 /nfs/dbraw/zinc/85/43/11/596854311.db2.gz SIPJZJYCOGNWLM-VTPHTMIKSA-N 1 0 336.388 1.882 20 5 EDBDRO CC(C)[C@H]1CN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC[N@@H+]1C ZINC000872738079 597053435 /nfs/dbraw/zinc/05/34/35/597053435.db2.gz DJQMKOOZGYGZQO-CQSZACIVSA-N 1 0 346.387 1.420 20 5 EDBDRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000876551408 597236206 /nfs/dbraw/zinc/23/62/06/597236206.db2.gz QRVKXDDGVKARMW-GZTQLTBSSA-N 1 0 344.415 1.799 20 5 EDBDRO O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000876587004 597251488 /nfs/dbraw/zinc/25/14/88/597251488.db2.gz KGJNXZGBYTWERE-BOTMBNHJSA-N 1 0 345.403 1.194 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCCC[C@@H]3N3CCOCC3)C2)c1 ZINC000877111282 597435391 /nfs/dbraw/zinc/43/53/91/597435391.db2.gz IHFMZWNGQXVUHG-LCSXWQTCSA-N 1 0 349.435 1.728 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCN(c4ccccn4)C3)C2)c1 ZINC000877119848 597437142 /nfs/dbraw/zinc/43/71/42/597437142.db2.gz BBNSQQXQZUIUJR-HSBZDZAISA-N 1 0 328.376 1.758 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC[S@](=O)CC(F)(F)F)C2)c1 ZINC000877622346 597542110 /nfs/dbraw/zinc/54/21/10/597542110.db2.gz LINLAJFXYPWAKP-UEUSNMIZSA-N 1 0 340.327 1.395 20 5 EDBDRO CN(CCc1cccc([N+](=O)[O-])c1)CC(=O)NC1CC[NH+](C)CC1 ZINC000878565716 597637531 /nfs/dbraw/zinc/63/75/31/597637531.db2.gz OQABMKRJUUIUOH-UHFFFAOYSA-N 1 0 334.420 1.280 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879576461 597639227 /nfs/dbraw/zinc/63/92/27/597639227.db2.gz SKPAPRLSBKFFDR-UONOGXRCSA-N 1 0 332.404 1.868 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000879576903 597639886 /nfs/dbraw/zinc/63/98/86/597639886.db2.gz YUMHYSDFZGQTOZ-GDBMZVCRSA-N 1 0 344.415 1.510 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000879576907 597639955 /nfs/dbraw/zinc/63/99/55/597639955.db2.gz YUMHYSDFZGQTOZ-ZBFHGGJFSA-N 1 0 344.415 1.510 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC000879245262 597863782 /nfs/dbraw/zinc/86/37/82/597863782.db2.gz XCAWDLOLTLDQKC-SJLPKXTDSA-N 1 0 343.383 1.955 20 5 EDBDRO C[C@H]1CN(c2ccnc(F)c2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000882145419 597880996 /nfs/dbraw/zinc/88/09/96/597880996.db2.gz OFOMMMJNMBAWSW-QWHCGFSZSA-N 1 0 337.399 1.591 20 5 EDBDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000880328341 597902657 /nfs/dbraw/zinc/90/26/57/597902657.db2.gz ARGZTXQBWUCLBK-LXZKKBNFSA-N 1 0 334.372 1.903 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@@H]2CCOC[C@@H]2OC)c1 ZINC000880436458 597934257 /nfs/dbraw/zinc/93/42/57/597934257.db2.gz WKSHHARYQVENGU-CABCVRRESA-N 1 0 338.360 1.617 20 5 EDBDRO CC1(C)CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC[NH2+]1 ZINC000884305434 598060100 /nfs/dbraw/zinc/06/01/00/598060100.db2.gz WVWABAGCFVKFFI-UHFFFAOYSA-N 1 0 335.360 1.580 20 5 EDBDRO C[C@@H](NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000916842545 696797109 /nfs/dbraw/zinc/79/71/09/696797109.db2.gz NRIFCMFJWIPZDT-WQVCFCJDSA-N 1 0 348.403 1.818 20 5 EDBDRO C[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000917928502 697110479 /nfs/dbraw/zinc/11/04/79/697110479.db2.gz BFIUPUSXEDHZKW-CYBMUJFWSA-N 1 0 341.433 1.889 20 5 EDBDRO C/C=C(/C)C(=O)N1CCC(C)([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000940041114 700140990 /nfs/dbraw/zinc/14/09/90/700140990.db2.gz WUCFACRHGLDLNW-XGICHPGQSA-N 1 0 335.408 1.765 20 5 EDBDRO Cc1cncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000940108125 700220315 /nfs/dbraw/zinc/22/03/15/700220315.db2.gz VUFGWYBRMQGVRJ-HUUCEWRRSA-N 1 0 332.404 1.526 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)C2CC3(CC3)C2)CC1 ZINC000996991802 703253497 /nfs/dbraw/zinc/25/34/97/703253497.db2.gz UIDOTIAQDLTCDK-UHFFFAOYSA-N 1 0 347.419 1.599 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CC1CCN(C(=O)C2CC=CC2)CC1 ZINC000997637588 703939474 /nfs/dbraw/zinc/93/94/74/703939474.db2.gz KZUZZGBXUWKXBN-UHFFFAOYSA-N 1 0 347.419 1.623 20 5 EDBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cncc(F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034643415 710319412 /nfs/dbraw/zinc/31/94/12/710319412.db2.gz OOYBWDVXPDLLBU-KBUPBQIOSA-N 1 0 336.367 1.403 20 5 EDBDRO C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000041651410 138103835 /nfs/dbraw/zinc/10/38/35/138103835.db2.gz OANOOIUNBGNDBF-OLZOCXBDSA-N 1 0 348.403 1.770 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(CC(N)=O)CC1 ZINC000077168582 138251733 /nfs/dbraw/zinc/25/17/33/138251733.db2.gz AEMCAKARJZQGGN-UHFFFAOYSA-N 1 0 348.403 1.819 20 5 EDBDRO Cc1nn(C)c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000124247600 138325191 /nfs/dbraw/zinc/32/51/91/138325191.db2.gz JGHUEEZYDDVSEN-CQSZACIVSA-N 1 0 345.403 1.978 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC2CCC1(C[NH3+])CC2 ZINC000563638459 306343352 /nfs/dbraw/zinc/34/33/52/306343352.db2.gz ZQCUBXOWVJYOTQ-UHFFFAOYSA-N 1 0 348.403 1.745 20 5 EDBDRO CC(C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccc(F)cn2)n1 ZINC000563898776 306352066 /nfs/dbraw/zinc/35/20/66/306352066.db2.gz LMGGUSXTGZIUGN-LBPRGKRZSA-N 1 0 337.355 1.694 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000564028548 306354248 /nfs/dbraw/zinc/35/42/48/306354248.db2.gz IFLAXJDDJGSIJA-LLVKDONJSA-N 1 0 342.421 1.163 20 5 EDBDRO COc1cc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000564835837 306366262 /nfs/dbraw/zinc/36/62/62/306366262.db2.gz ATVCRZGVICZIER-NSHDSACASA-N 1 0 335.360 1.579 20 5 EDBDRO COC[C@H](O)C[NH2+]CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000564845413 306366825 /nfs/dbraw/zinc/36/68/25/306366825.db2.gz XTLPIGQPYHRVLA-SNVBAGLBSA-N 1 0 337.298 1.622 20 5 EDBDRO CN1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000564987816 306372231 /nfs/dbraw/zinc/37/22/31/306372231.db2.gz VMXKSMLSJNZERI-ZDUSSCGKSA-N 1 0 334.420 1.607 20 5 EDBDRO C[C@]1(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@H+](Cc2ccccc2)C1 ZINC000565062832 306374188 /nfs/dbraw/zinc/37/41/88/306374188.db2.gz ONZKYXKZGISKEZ-KRWDZBQOSA-N 1 0 343.387 1.572 20 5 EDBDRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000067394019 201160055 /nfs/dbraw/zinc/16/00/55/201160055.db2.gz BHSYPSDHMMDTLN-GFCCVEGCSA-N 1 0 334.376 1.381 20 5 EDBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000368386164 284019307 /nfs/dbraw/zinc/01/93/07/284019307.db2.gz UZBJFRFEQQXLMW-OAHLLOKOSA-N 1 0 341.371 1.652 20 5 EDBDRO Cn1cc(C[NH2+]C[C@@H]2CNCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415093161 304159203 /nfs/dbraw/zinc/15/92/03/304159203.db2.gz HOQWVAQYFRFTMU-HNNXBMFYSA-N 1 0 331.376 1.073 20 5 EDBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000103452077 204080754 /nfs/dbraw/zinc/08/07/54/204080754.db2.gz VKEHMIWYYRWEKD-UHFFFAOYSA-N 1 0 336.348 1.917 20 5 EDBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195257216 139011625 /nfs/dbraw/zinc/01/16/25/139011625.db2.gz MOJWKFLYUVRGPJ-OKILXGFUSA-N 1 0 330.388 1.486 20 5 EDBDRO CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]CC1 ZINC000229628054 139023866 /nfs/dbraw/zinc/02/38/66/139023866.db2.gz NEDSTEXOLBXASR-UHFFFAOYSA-N 1 0 333.797 1.669 20 5 EDBDRO Cc1c(Br)c(NC[C@@](C)(O)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC000230588373 139024464 /nfs/dbraw/zinc/02/44/64/139024464.db2.gz JXXZHBMYKKQUMP-GFCCVEGCSA-N 1 0 347.213 1.785 20 5 EDBDRO C[NH+]1CCN(CCNc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000231628811 139025280 /nfs/dbraw/zinc/02/52/80/139025280.db2.gz DZXJPSLRFBOXJY-UHFFFAOYSA-N 1 0 344.213 1.412 20 5 EDBDRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236680524 139028596 /nfs/dbraw/zinc/02/85/96/139028596.db2.gz PWYLMRZETGRAQE-CQSZACIVSA-N 1 0 348.403 1.253 20 5 EDBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000236712601 139029327 /nfs/dbraw/zinc/02/93/27/139029327.db2.gz HRWGEEBBLZSURZ-MRXNPFEDSA-N 1 0 346.391 1.669 20 5 EDBDRO COc1cc(OCC(=O)N[C@@H](C[NH3+])CC(C)C)ccc1[N+](=O)[O-] ZINC000237087297 139040153 /nfs/dbraw/zinc/04/01/53/139040153.db2.gz AOTSQAKWPOUXET-LLVKDONJSA-N 1 0 325.365 1.472 20 5 EDBDRO COc1ccc(CSCC(=O)N(C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000237248279 139045678 /nfs/dbraw/zinc/04/56/78/139045678.db2.gz HITVZHAKDJQJFE-SNVBAGLBSA-N 1 0 327.406 1.642 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000237315998 139047548 /nfs/dbraw/zinc/04/75/48/139047548.db2.gz YDWXJNJLYHXMQJ-CYBMUJFWSA-N 1 0 327.406 1.356 20 5 EDBDRO Cc1c(CC(=O)N2CC[NH+](C3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000127343145 205096877 /nfs/dbraw/zinc/09/68/77/205096877.db2.gz JFTNNNGRTVSHDU-UHFFFAOYSA-N 1 0 347.415 1.769 20 5 EDBDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000157808485 205257868 /nfs/dbraw/zinc/25/78/68/205257868.db2.gz CTEYSHXFQWPJOJ-ZNMIVQPWSA-N 1 0 337.424 1.365 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000131468941 205291177 /nfs/dbraw/zinc/29/11/77/205291177.db2.gz WXVAEMZGXLNJOE-CYBMUJFWSA-N 1 0 343.387 1.947 20 5 EDBDRO CCOC(=O)CNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000134535489 205412934 /nfs/dbraw/zinc/41/29/34/205412934.db2.gz CEABJAJZXAIQSK-UHFFFAOYSA-N 1 0 349.387 1.486 20 5 EDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000238051506 139067709 /nfs/dbraw/zinc/06/77/09/139067709.db2.gz RYZNRRDRDZTEOW-GXFFZTMASA-N 1 0 330.348 1.033 20 5 EDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000157254603 206124415 /nfs/dbraw/zinc/12/44/15/206124415.db2.gz CEIKNSAYYRKZDW-CZUORRHYSA-N 1 0 333.388 1.916 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000246501130 139111150 /nfs/dbraw/zinc/11/11/50/139111150.db2.gz BQTWEQXQWPHPCO-NWDGAFQWSA-N 1 0 327.406 1.651 20 5 EDBDRO O=C(CC[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000246802568 139122185 /nfs/dbraw/zinc/12/21/85/139122185.db2.gz DBGIOQGFJXFFCH-HZPDHXFCSA-N 1 0 349.387 1.803 20 5 EDBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415326110 304195081 /nfs/dbraw/zinc/19/50/81/304195081.db2.gz FOALZRPSJUMHTC-LLVKDONJSA-N 1 0 334.376 1.309 20 5 EDBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000160500856 206300169 /nfs/dbraw/zinc/30/01/69/206300169.db2.gz IKZTWANHRVKAIP-VIFPVBQESA-N 1 0 328.166 1.791 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000248374179 139161138 /nfs/dbraw/zinc/16/11/38/139161138.db2.gz OJDGFSQQBSAEFW-KGLIPLIRSA-N 1 0 346.387 1.937 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000248696924 139172079 /nfs/dbraw/zinc/17/20/79/139172079.db2.gz YXJAJXSXLRLKPN-RWMBFGLXSA-N 1 0 339.417 1.569 20 5 EDBDRO [NH3+]C1(c2noc(CN3C(=O)COc4ccc([N+](=O)[O-])cc43)n2)CCC1 ZINC000261611181 139210959 /nfs/dbraw/zinc/21/09/59/139210959.db2.gz AUPMBVQTGWGMNS-UHFFFAOYSA-N 1 0 345.315 1.241 20 5 EDBDRO C[NH2+][C@H](C)Cc1noc(-c2cn(-c3cccc([N+](=O)[O-])c3)nn2)n1 ZINC000261675413 139216448 /nfs/dbraw/zinc/21/64/48/139216448.db2.gz GOOXWXCYAWKKJR-SECBINFHSA-N 1 0 329.320 1.376 20 5 EDBDRO CC(C)OC(=O)C[C@H](NC(=O)C[C@H](C)[NH3+])c1ccccc1[N+](=O)[O-] ZINC000261710058 139219513 /nfs/dbraw/zinc/21/95/13/139219513.db2.gz DIZWPWHTHASKRH-AAEUAGOBSA-N 1 0 337.376 1.831 20 5 EDBDRO C[NH2+][C@@H](C)CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000261687834 139217739 /nfs/dbraw/zinc/21/77/39/139217739.db2.gz ICMMOFMIQVSSCY-ZETCQYMHSA-N 1 0 333.291 1.543 20 5 EDBDRO [NH3+]CCNC(=O)[C@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000261716821 139220091 /nfs/dbraw/zinc/22/00/91/139220091.db2.gz QEHKOFVWUKHBKF-ZDUSSCGKSA-N 1 0 343.387 1.434 20 5 EDBDRO [NH3+]CC1(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCOCC1 ZINC000261941092 139238844 /nfs/dbraw/zinc/23/88/44/139238844.db2.gz MVZBYVCAMROVDB-UHFFFAOYSA-N 1 0 327.768 1.620 20 5 EDBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000262142844 139254655 /nfs/dbraw/zinc/25/46/55/139254655.db2.gz ZFXWVNRWEBJMEY-BIENSFFJSA-N 1 0 346.431 1.928 20 5 EDBDRO CC[C@@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000174630827 207039072 /nfs/dbraw/zinc/03/90/72/207039072.db2.gz QFPNZHSFBGXZIB-UKRRQHHQSA-N 1 0 335.404 1.820 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000262169640 139257008 /nfs/dbraw/zinc/25/70/08/139257008.db2.gz HOYURVJDMKFKDU-UHFFFAOYSA-N 1 0 341.371 1.581 20 5 EDBDRO C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174664960 207043485 /nfs/dbraw/zinc/04/34/85/207043485.db2.gz DUHOPZJDFJLQBH-ZDUSSCGKSA-N 1 0 334.332 1.013 20 5 EDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](O)COCc1ccccc1 ZINC000174858811 207065104 /nfs/dbraw/zinc/06/51/04/207065104.db2.gz FLVFZQSNXSBBIJ-MRXNPFEDSA-N 1 0 334.376 1.301 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000175080703 207091365 /nfs/dbraw/zinc/09/13/65/207091365.db2.gz ONLRRURAQNMLJM-RYUDHWBXSA-N 1 0 327.406 1.746 20 5 EDBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262273949 139265574 /nfs/dbraw/zinc/26/55/74/139265574.db2.gz WDIVWZGVPSOVLG-ZDUSSCGKSA-N 1 0 343.387 1.900 20 5 EDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417717339 251241105 /nfs/dbraw/zinc/24/11/05/251241105.db2.gz KGAFUJPCHLHSNU-ZBFHGGJFSA-N 1 0 332.404 1.921 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC2(CC[NH2+]C2)CC1 ZINC000417772092 251264556 /nfs/dbraw/zinc/26/45/56/251264556.db2.gz VVSJSPBITPLYAH-UHFFFAOYSA-N 1 0 332.404 1.922 20 5 EDBDRO COCCOc1cc([N+](=O)[O-])c(C(=O)NCC[C@H](C)[NH3+])cc1OC ZINC000262534029 139284713 /nfs/dbraw/zinc/28/47/13/139284713.db2.gz LQGGKWFMZQIVQK-JTQLQIEISA-N 1 0 341.364 1.096 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262614249 139290102 /nfs/dbraw/zinc/29/01/02/139290102.db2.gz FHYGJRPEGFEMHP-YUTCNCBUSA-N 1 0 346.387 1.066 20 5 EDBDRO COCCOc1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH3+])cc1OC ZINC000262616972 139290424 /nfs/dbraw/zinc/29/04/24/139290424.db2.gz GUGOYQKLTFBPFX-UHFFFAOYSA-N 1 0 341.364 1.096 20 5 EDBDRO C[C@]1(C[NH3+])CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420324079 251671292 /nfs/dbraw/zinc/67/12/92/251671292.db2.gz YXBCQPMBTSMGDY-CQSZACIVSA-N 1 0 326.784 1.857 20 5 EDBDRO COC(=O)c1cc(NC(=O)NC[C@@H]2CC[NH2+]C2)c(C)c([N+](=O)[O-])c1 ZINC000415592780 304235027 /nfs/dbraw/zinc/23/50/27/304235027.db2.gz CNOUFKOTUWAITI-SNVBAGLBSA-N 1 0 336.348 1.421 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)c1 ZINC000262802176 139304703 /nfs/dbraw/zinc/30/47/03/139304703.db2.gz VVQAJWMXCVYGOY-ZJUUUORDSA-N 1 0 347.824 1.928 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[NH2+]1 ZINC000262854583 139308186 /nfs/dbraw/zinc/30/81/86/139308186.db2.gz KMHVSWKEJMHLNG-AAEUAGOBSA-N 1 0 329.360 1.651 20 5 EDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000423512208 252058359 /nfs/dbraw/zinc/05/83/59/252058359.db2.gz OIRRQWJSVKEQBV-CYBMUJFWSA-N 1 0 335.360 1.596 20 5 EDBDRO C[C@@H]1[NH2+]CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@H]1C ZINC000262917079 139312576 /nfs/dbraw/zinc/31/25/76/139312576.db2.gz ZADFOOCZMMMCRG-RYUDHWBXSA-N 1 0 329.360 1.603 20 5 EDBDRO Cn1cc([C@@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000424372001 252203369 /nfs/dbraw/zinc/20/33/69/252203369.db2.gz DZKCSYDLUFHIBD-INCBCAAFSA-N 1 0 327.388 1.768 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000424418052 252219996 /nfs/dbraw/zinc/21/99/96/252219996.db2.gz XUJOSXBRGNXENU-QWHCGFSZSA-N 1 0 345.359 1.046 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000375774594 285125620 /nfs/dbraw/zinc/12/56/20/285125620.db2.gz MPIKYBNJIVKMQF-UKRRQHHQSA-N 1 0 336.348 1.538 20 5 EDBDRO [NH3+][C@@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415690439 304256888 /nfs/dbraw/zinc/25/68/88/304256888.db2.gz DPYCDERRBHAABA-MRVPVSSYSA-N 1 0 329.154 1.922 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cnn(C)c1C ZINC000183344858 533138432 /nfs/dbraw/zinc/13/84/32/533138432.db2.gz QISWCROAYVANIE-JTQLQIEISA-N 1 0 347.375 1.935 20 5 EDBDRO CC[NH+]1CCN(CCCNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000490700707 255100577 /nfs/dbraw/zinc/10/05/77/255100577.db2.gz HTOLXJONYDJPNF-HJWRWDBZSA-N 1 0 346.431 1.752 20 5 EDBDRO COC(=O)[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000493329482 255204396 /nfs/dbraw/zinc/20/43/96/255204396.db2.gz YCPJEQMTEQYURD-DANTVBBOSA-N 1 0 347.371 1.171 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NCC2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000493946115 255227758 /nfs/dbraw/zinc/22/77/58/255227758.db2.gz XMJGMBRTOAKRKG-UHFFFAOYSA-N 1 0 339.417 1.752 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000493107789 255191657 /nfs/dbraw/zinc/19/16/57/255191657.db2.gz QMEQTLLCZKHWNL-VFQAQYNWSA-N 1 0 345.399 1.822 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)CCCC[NH3+] ZINC000494673423 255257150 /nfs/dbraw/zinc/25/71/50/255257150.db2.gz LEINOGAVYLECEQ-PWSUYJOCSA-N 1 0 340.428 1.461 20 5 EDBDRO NS(=O)(=O)c1cc(NCC[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000264051162 139377837 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1.964 20 5 EDBDRO C[N@@H+]1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000332227031 141143336 /nfs/dbraw/zinc/14/33/36/141143336.db2.gz MPYRRTPRDLQDIY-UHFFFAOYSA-N 1 0 329.303 1.974 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc([N+](=O)[O-])c(OC)c3)[C@@H]2C1 ZINC000339393277 142035474 /nfs/dbraw/zinc/03/54/74/142035474.db2.gz NUPKRKJLAAPFPS-HZPDHXFCSA-N 1 0 335.404 1.898 20 5 EDBDRO O=C(NCC1CC[NH+](CCO)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000340293975 142332062 /nfs/dbraw/zinc/33/20/62/142332062.db2.gz ZJTNQGJXDVQULC-UHFFFAOYSA-N 1 0 346.387 1.510 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000340415057 142383871 /nfs/dbraw/zinc/38/38/71/142383871.db2.gz JZYNUJNSNDCMMG-DFBGVHRSSA-N 1 0 337.376 1.441 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000342315087 142708657 /nfs/dbraw/zinc/70/86/57/142708657.db2.gz VXWDLEYHZNEWBP-LBPRGKRZSA-N 1 0 328.390 1.385 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(C(N)=O)CCOCC1 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WCOCVKGSJWOMEB-UHFFFAOYSA-N 1 0 341.433 1.889 20 5 EDBDRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000416559174 304331536 /nfs/dbraw/zinc/33/15/36/304331536.db2.gz JOPRUJKGPUXPOR-GFCCVEGCSA-N 1 0 327.406 1.605 20 5 EDBDRO C[C@H]1CCCCN1C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369695227 155139046 /nfs/dbraw/zinc/13/90/46/155139046.db2.gz PZIMNORFNRXLMY-ZDUSSCGKSA-N 1 0 335.408 1.829 20 5 EDBDRO CC[N@@H+]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H](C)C1 ZINC000352667544 149108883 /nfs/dbraw/zinc/10/88/83/149108883.db2.gz LEHCQYOGKSNLNR-CYBMUJFWSA-N 1 0 348.403 1.919 20 5 EDBDRO Cn1c(-c2nc(CC3=[NH+][C@H]4CCCC[C@@H]4N3)no2)ccc1[N+](=O)[O-] ZINC000357939858 151203493 /nfs/dbraw/zinc/20/34/93/151203493.db2.gz VHIWUIWEDOCVGL-UWVGGRQHSA-N 1 0 330.348 1.839 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1-c1nc(CC2=[NH+][C@@H]3CCCC[C@@H]3N2)no1 ZINC000357953535 151209327 /nfs/dbraw/zinc/20/93/27/151209327.db2.gz GGFRUKOAPIZADP-DTORHVGOSA-N 1 0 331.336 1.234 20 5 EDBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000358308362 151333014 /nfs/dbraw/zinc/33/30/14/151333014.db2.gz OQBPGVIIHOLGFA-GFCCVEGCSA-N 1 0 325.413 1.763 20 5 EDBDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000360353546 152004846 /nfs/dbraw/zinc/00/48/46/152004846.db2.gz HBMIMLCQWTZZEQ-NSHDSACASA-N 1 0 333.392 1.661 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(n3cccn3)CC2)c1 ZINC000361942606 152560736 /nfs/dbraw/zinc/56/07/36/152560736.db2.gz ICEZQQHQXQERTH-MRXNPFEDSA-N 1 0 346.387 1.868 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417181037 304381316 /nfs/dbraw/zinc/38/13/16/304381316.db2.gz NTQPMQJBNGYMRK-OUCADQQQSA-N 1 0 348.403 1.791 20 5 EDBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000363655420 153024413 /nfs/dbraw/zinc/02/44/13/153024413.db2.gz DNONQAYIXCJURY-INIZCTEOSA-N 1 0 332.404 1.447 20 5 EDBDRO CC(C)(NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)c1ccc([N+](=O)[O-])cc1 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CC(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000067419672 287245498 /nfs/dbraw/zinc/24/54/98/287245498.db2.gz XFVJGJUIMORNDP-AWEZNQCLSA-N 1 0 348.403 1.772 20 5 EDBDRO C[C@@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC000074137884 287268115 /nfs/dbraw/zinc/26/81/15/287268115.db2.gz BKUDZWURZPSNML-LFAOLKIESA-N 1 0 346.431 1.608 20 5 EDBDRO COc1ccc(NC(=O)CN(C)CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000089897932 287324460 /nfs/dbraw/zinc/32/44/60/287324460.db2.gz PSHUICCXMTVELV-UHFFFAOYSA-N 1 0 336.392 1.570 20 5 EDBDRO Cc1c(NC(=O)C(=O)N(C)CC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000124370175 287397642 /nfs/dbraw/zinc/39/76/42/287397642.db2.gz XLNLCUYDNJZLTM-UHFFFAOYSA-N 1 0 334.376 1.396 20 5 EDBDRO COc1ccc(-c2ccc(C[NH2+]CC3(CO)COC3)o2)c([N+](=O)[O-])c1 ZINC000123030726 222203952 /nfs/dbraw/zinc/20/39/52/222203952.db2.gz INKYCALSCVISTG-UHFFFAOYSA-N 1 0 348.355 1.962 20 5 EDBDRO [NH3+]CC1(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCC1 ZINC000238047346 273013904 /nfs/dbraw/zinc/01/39/04/273013904.db2.gz BRSJBIHKCXXLKY-LBPRGKRZSA-N 1 0 333.392 1.522 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000273295572 268017429 /nfs/dbraw/zinc/01/74/29/268017429.db2.gz DJWKSSLSENUGRI-BUHFOSPRSA-N 1 0 347.415 1.913 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273525145 268058398 /nfs/dbraw/zinc/05/83/98/268058398.db2.gz XMVIMMAWRLZQDD-CABZTGNLSA-N 1 0 340.405 1.137 20 5 EDBDRO C[C@H](C[NH3+])NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000274386567 268132866 /nfs/dbraw/zinc/13/28/66/268132866.db2.gz CBZPWZCSUQEIGD-MRVPVSSYSA-N 1 0 334.298 1.879 20 5 EDBDRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000275540967 268357512 /nfs/dbraw/zinc/35/75/12/268357512.db2.gz ZJWXDZKVXTXBIJ-SNVBAGLBSA-N 1 0 339.323 1.557 20 5 EDBDRO C[NH+](C)CCc1ccccc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000275839315 268376676 /nfs/dbraw/zinc/37/66/76/268376676.db2.gz MGVZXNWMSTXNGG-UHFFFAOYSA-N 1 0 344.371 1.499 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCSC2)cc1 ZINC000273442522 273040201 /nfs/dbraw/zinc/04/02/01/273040201.db2.gz NBPWLHNLNNMWFN-NSHDSACASA-N 1 0 330.431 1.854 20 5 EDBDRO C[C@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000273535450 273042260 /nfs/dbraw/zinc/04/22/60/273042260.db2.gz DBZGIQGSYSKWDW-SMDDNHRTSA-N 1 0 327.406 1.307 20 5 EDBDRO C[NH+](C)CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])[nH]3)n2)ccn1 ZINC000273829293 273055606 /nfs/dbraw/zinc/05/56/06/273055606.db2.gz DMVIQNRIWPKDKS-UHFFFAOYSA-N 1 0 344.331 1.975 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000274169528 273073885 /nfs/dbraw/zinc/07/38/85/273073885.db2.gz HZLMQAMZCCNWIQ-OCCSQVGLSA-N 1 0 343.387 1.579 20 5 EDBDRO CNC(=O)c1ccc(N[C@@H](C)CC[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000274419084 273089035 /nfs/dbraw/zinc/08/90/35/273089035.db2.gz BRSGVELAKSHCNV-ZDUSSCGKSA-N 1 0 349.435 1.392 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000277345056 273190635 /nfs/dbraw/zinc/19/06/35/273190635.db2.gz WIYJEERHDFMZLU-GOEBONIOSA-N 1 0 337.420 1.751 20 5 EDBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000278888142 273267720 /nfs/dbraw/zinc/26/77/20/273267720.db2.gz PZUKEKDPIWDOMV-NSHDSACASA-N 1 0 339.417 1.982 20 5 EDBDRO COc1cc(C[NH2+]CC2([S@@](C)=O)CCC2)c([N+](=O)[O-])cc1O ZINC000280607999 273377145 /nfs/dbraw/zinc/37/71/45/273377145.db2.gz JXEIZUDCGPVFTM-JOCHJYFZSA-N 1 0 328.390 1.700 20 5 EDBDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000159958028 273860887 /nfs/dbraw/zinc/86/08/87/273860887.db2.gz IIDFZBCJZTZHLI-NSHDSACASA-N 1 0 333.797 1.606 20 5 EDBDRO COCC[N@@H+]1CCCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347436687 274026977 /nfs/dbraw/zinc/02/69/77/274026977.db2.gz UJXLIHLQVBRYJJ-UHFFFAOYSA-N 1 0 331.376 1.697 20 5 EDBDRO CNC(=O)[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1cnn(C)c1 ZINC000284492345 274221779 /nfs/dbraw/zinc/22/17/79/274221779.db2.gz CSSIUUKMMNLHOD-CABCVRRESA-N 1 0 343.387 1.290 20 5 EDBDRO CN1CCO[C@H]2CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000284767339 274323937 /nfs/dbraw/zinc/32/39/37/274323937.db2.gz MLLICJZIDRCBBX-CVEARBPZSA-N 1 0 348.403 1.328 20 5 EDBDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000284849173 274358596 /nfs/dbraw/zinc/35/85/96/274358596.db2.gz XGGUKGAUASDYQR-LRDDRELGSA-N 1 0 332.360 1.957 20 5 EDBDRO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000378494228 275011897 /nfs/dbraw/zinc/01/18/97/275011897.db2.gz LJRQVSUOTJFVAG-UHFFFAOYSA-N 1 0 347.400 1.910 20 5 EDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000423962881 275526479 /nfs/dbraw/zinc/52/64/79/275526479.db2.gz VOKFQUYGDPYEGF-CQSZACIVSA-N 1 0 331.376 1.884 20 5 EDBDRO CC[NH+]1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000106479463 276199053 /nfs/dbraw/zinc/19/90/53/276199053.db2.gz PLVBYDZAWMDCMP-CQSZACIVSA-N 1 0 349.391 1.719 20 5 EDBDRO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)OCCO ZINC000352495726 277302991 /nfs/dbraw/zinc/30/29/91/277302991.db2.gz OEWYWQKGQAAMEI-CHWSQXEVSA-N 1 0 326.397 1.652 20 5 EDBDRO CS(=O)(=O)c1ccc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000262437236 278119910 /nfs/dbraw/zinc/11/99/10/278119910.db2.gz GLLHOUUTSFVNGP-JQWIXIFHSA-N 1 0 325.390 1.187 20 5 EDBDRO C[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000262522198 278250491 /nfs/dbraw/zinc/25/04/91/278250491.db2.gz JDIVEACNLACHNI-LURJTMIESA-N 1 0 349.128 1.276 20 5 EDBDRO CC(C)[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487040849 280016157 /nfs/dbraw/zinc/01/61/57/280016157.db2.gz DGMFZJUSUFBLJX-AWEZNQCLSA-N 1 0 342.421 1.019 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1C[N@H+](C)CCN1C ZINC000287453752 288241662 /nfs/dbraw/zinc/24/16/62/288241662.db2.gz RSBZKHSQMIJALX-LBPRGKRZSA-N 1 0 336.392 1.348 20 5 EDBDRO Cc1cnc(N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC000262175753 281601268 /nfs/dbraw/zinc/60/12/68/281601268.db2.gz IFTLDEYSKSYXHC-KBPBESRZSA-N 1 0 347.419 1.383 20 5 EDBDRO CCc1ccc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000289162228 288642595 /nfs/dbraw/zinc/64/25/95/288642595.db2.gz HARFPUYYJOHWKQ-OAHLLOKOSA-N 1 0 332.404 1.277 20 5 EDBDRO CCCC[N@H+](C)C[C@@H](C)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000291122763 289004308 /nfs/dbraw/zinc/00/43/08/289004308.db2.gz MILKDTXHNDMVSU-LLVKDONJSA-N 1 0 344.437 1.775 20 5 EDBDRO C[N@H+](Cc1ccccc1)C1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000291219062 289020408 /nfs/dbraw/zinc/02/04/08/289020408.db2.gz VUUKHAVPLRJCBT-UHFFFAOYSA-N 1 0 341.371 1.409 20 5 EDBDRO COC[C@@H](C)OC[C@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292208697 289289348 /nfs/dbraw/zinc/28/93/48/289289348.db2.gz TUDMQXKRVILKEH-CHWSQXEVSA-N 1 0 326.393 1.832 20 5 EDBDRO CCNC(=O)[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000293361513 289595184 /nfs/dbraw/zinc/59/51/84/289595184.db2.gz UOYLPWRSGJSFNG-HNNXBMFYSA-N 1 0 336.392 1.592 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000262643793 290181165 /nfs/dbraw/zinc/18/11/65/290181165.db2.gz UHGPBIZNSILYGV-ONGXEEELSA-N 1 0 327.768 1.836 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000261621281 295255392 /nfs/dbraw/zinc/25/53/92/295255392.db2.gz AWEXHTUTRTXDPP-CMPLNLGQSA-N 1 0 343.405 1.351 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418570961 304513875 /nfs/dbraw/zinc/51/38/75/304513875.db2.gz JFVHQNZAASSITG-XJKSGUPXSA-N 1 0 347.419 1.424 20 5 EDBDRO Cc1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000375089103 301095366 /nfs/dbraw/zinc/09/53/66/301095366.db2.gz HQVCGZRBORYBKI-GFCCVEGCSA-N 1 0 334.376 1.704 20 5 EDBDRO CCOc1cc(N2CCC[C@H](n3cc(C[NH3+])nn3)C2)ccc1[N+](=O)[O-] ZINC000420280912 304742996 /nfs/dbraw/zinc/74/29/96/304742996.db2.gz LSKFVUWIYRYMOV-AWEZNQCLSA-N 1 0 346.391 1.885 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000420401062 304755929 /nfs/dbraw/zinc/75/59/29/304755929.db2.gz GCXXNPROHWEZTN-ZDUSSCGKSA-N 1 0 341.433 1.399 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000420432490 304757613 /nfs/dbraw/zinc/75/76/13/304757613.db2.gz HFHQWDWKDRDTJL-OAHLLOKOSA-N 1 0 341.433 1.880 20 5 EDBDRO Cc1ccc(NCCCNC(=O)N[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000417721816 301646683 /nfs/dbraw/zinc/64/66/83/301646683.db2.gz UMHNKMSSNBWDRN-CYBMUJFWSA-N 1 0 335.408 1.756 20 5 EDBDRO COc1cc(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420467163 304761948 /nfs/dbraw/zinc/76/19/48/304761948.db2.gz NCMUCEHAMGADDU-GHMZBOCLSA-N 1 0 343.405 1.399 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@@H+](C2CC2)C1 ZINC000295791533 303267575 /nfs/dbraw/zinc/26/75/75/303267575.db2.gz YZPFKNUSIFZPJO-JTQLQIEISA-N 1 0 336.367 1.872 20 5 EDBDRO COC(=O)Cc1ccc(N2CCO[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000296913051 303346378 /nfs/dbraw/zinc/34/63/78/303346378.db2.gz AFMJCTIYWPJGFK-ZDUSSCGKSA-N 1 0 337.376 1.077 20 5 EDBDRO Cc1nn(C)c(C)c1CN1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000296982288 303351314 /nfs/dbraw/zinc/35/13/14/303351314.db2.gz DVVOMLQJVOJLTD-UHFFFAOYSA-N 1 0 345.407 1.366 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]21 ZINC000374625354 303461888 /nfs/dbraw/zinc/46/18/88/303461888.db2.gz SSGJNYXTNHABKR-RAIGVLPGSA-N 1 0 347.371 1.565 20 5 EDBDRO CNC(=O)c1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000301724678 303691717 /nfs/dbraw/zinc/69/17/17/303691717.db2.gz OZISIGWSPZQWFB-CQSZACIVSA-N 1 0 348.403 1.620 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC2(CC[NH2+]2)CC1 ZINC000422625080 304874961 /nfs/dbraw/zinc/87/49/61/304874961.db2.gz APQZHUXBIFLCMF-LBPRGKRZSA-N 1 0 348.403 1.758 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000422721058 304879294 /nfs/dbraw/zinc/87/92/94/304879294.db2.gz NIEXYUIDRFVAMU-ZDUSSCGKSA-N 1 0 348.403 1.091 20 5 EDBDRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CCCn1c2ccc([N+](=O)[O-])cc2oc1=O ZINC000423633353 304902649 /nfs/dbraw/zinc/90/26/49/304902649.db2.gz AZSXTGVUXFOAMU-ZYHUDNBSSA-N 1 0 348.359 1.231 20 5 EDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000423991136 304923252 /nfs/dbraw/zinc/92/32/52/304923252.db2.gz LFFDVDKUBPCHSB-ZYHUDNBSSA-N 1 0 325.390 1.180 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429235773 305026160 /nfs/dbraw/zinc/02/61/60/305026160.db2.gz RSOVOYIKSVPZQV-ZIAGYGMSSA-N 1 0 344.367 1.797 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000430612402 305058907 /nfs/dbraw/zinc/05/89/07/305058907.db2.gz REFFXFKLVKPCTA-CYBMUJFWSA-N 1 0 332.404 1.415 20 5 EDBDRO [NH3+]C[C@H]1CCCCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430641961 305061060 /nfs/dbraw/zinc/06/10/60/305061060.db2.gz NNGGPLNQQQYZGJ-CYBMUJFWSA-N 1 0 334.376 1.706 20 5 EDBDRO COc1ccc(NC(=O)CCN2C[C@@H](C)[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430944347 305069877 /nfs/dbraw/zinc/06/98/77/305069877.db2.gz STDBSUIOCRBALI-VXGBXAGGSA-N 1 0 336.392 1.614 20 5 EDBDRO Cc1cc([N+](=O)[O-])cnc1NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431507780 305078445 /nfs/dbraw/zinc/07/84/45/305078445.db2.gz VNSGKRZEERHQRE-UHFFFAOYSA-N 1 0 335.408 1.702 20 5 EDBDRO Cc1ccc(NC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000433386154 305107335 /nfs/dbraw/zinc/10/73/35/305107335.db2.gz GXLLWRCWYCSYOE-GFCCVEGCSA-N 1 0 330.348 1.672 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCN2CCOCC2)n1 ZINC000447513048 305280962 /nfs/dbraw/zinc/28/09/62/305280962.db2.gz SHNZZIBEBUVTSO-LSDHHAIUSA-N 1 0 337.424 1.587 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000447730929 305284599 /nfs/dbraw/zinc/28/45/99/305284599.db2.gz RBVWDILUHPUMTN-LBPRGKRZSA-N 1 0 345.359 1.966 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@]1(O)CC[N@H+](C)C1 ZINC000447817420 305286272 /nfs/dbraw/zinc/28/62/72/305286272.db2.gz OGRXKYGUEQXIHJ-CQSZACIVSA-N 1 0 343.767 1.513 20 5 EDBDRO C[NH+](C)C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448581189 305298833 /nfs/dbraw/zinc/29/88/33/305298833.db2.gz IZTXPWYFROTOHZ-UHFFFAOYSA-N 1 0 331.376 1.851 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448884208 305302897 /nfs/dbraw/zinc/30/28/97/305302897.db2.gz TURDUCUGKPIXHE-AWEZNQCLSA-N 1 0 343.387 1.947 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449565118 305313664 /nfs/dbraw/zinc/31/36/64/305313664.db2.gz GWMKZIGLZSGJCJ-UFAOYGAJSA-N 1 0 325.752 1.350 20 5 EDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449699446 305317380 /nfs/dbraw/zinc/31/73/80/305317380.db2.gz QTORHRUXEHKYDO-OAHLLOKOSA-N 1 0 343.387 1.898 20 5 EDBDRO O=C1CC[C@@H]([NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)CCN1 ZINC000449700565 305317557 /nfs/dbraw/zinc/31/75/57/305317557.db2.gz PVTRKDLGLJVYMN-OAHLLOKOSA-N 1 0 332.404 1.381 20 5 EDBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3COC[C@H]3O)o2)c([N+](=O)[O-])c1 ZINC000451227512 305334483 /nfs/dbraw/zinc/33/44/83/305334483.db2.gz FECRBWXMMAOMOR-UKRRQHHQSA-N 1 0 334.328 1.713 20 5 EDBDRO Cc1ccccc1O[C@@H](C)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000517128223 305748038 /nfs/dbraw/zinc/74/80/38/305748038.db2.gz YNOBHVZFMRYQTE-ZFWWWQNUSA-N 1 0 334.376 1.518 20 5 EDBDRO C[NH+](C)CCOc1cc(CNC(=O)c2ccc([N+](=O)[O-])cn2)ccn1 ZINC000534233863 306004462 /nfs/dbraw/zinc/00/44/62/306004462.db2.gz FSTADJJTRNUDHH-UHFFFAOYSA-N 1 0 345.359 1.255 20 5 EDBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000549759058 306148486 /nfs/dbraw/zinc/14/84/86/306148486.db2.gz QGIWWZNAXSLYRO-UHFFFAOYSA-N 1 0 347.375 1.531 20 5 EDBDRO COc1cc(C[NH2+]C[C@@H]2CCOC[C@@H]2OC)c([N+](=O)[O-])cc1OC ZINC000449455183 447374470 /nfs/dbraw/zinc/37/44/70/447374470.db2.gz LCBVFLFPYJUZCX-ZBEGNZNMSA-N 1 0 340.376 1.753 20 5 EDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000043901772 440809707 /nfs/dbraw/zinc/80/97/07/440809707.db2.gz OCPLWRKWCQCLOL-LSDHHAIUSA-N 1 0 347.419 1.933 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046036530 441072364 /nfs/dbraw/zinc/07/23/64/441072364.db2.gz OOXKSCDKSYGYCI-TZMCWYRMSA-N 1 0 339.417 1.808 20 5 EDBDRO C[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[N@H+](C)C1CC1 ZINC000057705959 441128103 /nfs/dbraw/zinc/12/81/03/441128103.db2.gz LBMXZFJZINAIRX-GFCCVEGCSA-N 1 0 343.387 1.993 20 5 EDBDRO CC[NH+](CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000012141031 441127006 /nfs/dbraw/zinc/12/70/06/441127006.db2.gz IULHUFWSYOEZFJ-UHFFFAOYSA-N 1 0 331.394 1.224 20 5 EDBDRO CCC[NH+]1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000014252416 441181090 /nfs/dbraw/zinc/18/10/90/441181090.db2.gz DZFHLXDRUMOEEE-UHFFFAOYSA-N 1 0 327.406 1.748 20 5 EDBDRO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000104747665 441203551 /nfs/dbraw/zinc/20/35/51/441203551.db2.gz WTAFVKLJUGXSGC-JTQLQIEISA-N 1 0 347.824 1.820 20 5 EDBDRO CNC(=O)[C@@H](C)C[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000081527746 441283063 /nfs/dbraw/zinc/28/30/63/441283063.db2.gz ZUSNGNGCZZTTCU-SMDDNHRTSA-N 1 0 334.376 1.014 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000081792394 441314021 /nfs/dbraw/zinc/31/40/21/441314021.db2.gz OJOBGTBZBPPVIT-ZDUSSCGKSA-N 1 0 348.403 1.125 20 5 EDBDRO C[NH+](C)C1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000073842839 441360801 /nfs/dbraw/zinc/36/08/01/441360801.db2.gz HGSNFCSDMNPTMW-UHFFFAOYSA-N 1 0 348.403 1.267 20 5 EDBDRO CC[N@H+](C)Cc1cccc(CNC(=O)Cn2cc([N+](=O)[O-])nc2C)c1 ZINC000065881151 441491570 /nfs/dbraw/zinc/49/15/70/441491570.db2.gz NQVLNOHOSNSTFL-UHFFFAOYSA-N 1 0 345.403 1.868 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000066050081 441501111 /nfs/dbraw/zinc/50/11/11/441501111.db2.gz RNCNEJQMQMAAEG-UHFFFAOYSA-N 1 0 337.424 1.679 20 5 EDBDRO CC[NH+](CC)[C@@H](C)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000029621729 441465923 /nfs/dbraw/zinc/46/59/23/441465923.db2.gz OMZFJUVPAAPQRG-JTQLQIEISA-N 1 0 330.410 1.384 20 5 EDBDRO CC[N@H+](C)CCNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000112926166 441569571 /nfs/dbraw/zinc/56/95/71/441569571.db2.gz LHAWJZMQCWUHSS-UHFFFAOYSA-N 1 0 332.364 1.165 20 5 EDBDRO CC[NH+]1CCN(CCCNC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000041444063 441655582 /nfs/dbraw/zinc/65/55/82/441655582.db2.gz XCLHGTBEPWACSN-UHFFFAOYSA-N 1 0 334.420 1.661 20 5 EDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[NH+](CC2CC2)CC1 ZINC000055672772 441660561 /nfs/dbraw/zinc/66/05/61/441660561.db2.gz DCHPOUFRXDIDRX-UHFFFAOYSA-N 1 0 332.404 1.951 20 5 EDBDRO COc1ccc(CC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000067914644 441695820 /nfs/dbraw/zinc/69/58/20/441695820.db2.gz CBHNVWIISGBYOA-CQSZACIVSA-N 1 0 335.404 1.992 20 5 EDBDRO COCCC[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000173430543 441747246 /nfs/dbraw/zinc/74/72/46/441747246.db2.gz HQRKAAAMNDZBNG-UHFFFAOYSA-N 1 0 345.421 1.150 20 5 EDBDRO CCc1ccc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000174230621 441905323 /nfs/dbraw/zinc/90/53/23/441905323.db2.gz FZJFMJVFUAZINZ-AWEZNQCLSA-N 1 0 348.447 1.771 20 5 EDBDRO C[C@H]1C[C@@H](N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000123351756 441884964 /nfs/dbraw/zinc/88/49/64/441884964.db2.gz NERCUBJEXGOOCM-ZFWWWQNUSA-N 1 0 346.431 1.898 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[N@H+](C)C1CC1 ZINC000069129211 441895553 /nfs/dbraw/zinc/89/55/53/441895553.db2.gz VDJVKWKKEFEPGK-VIFPVBQESA-N 1 0 331.369 1.495 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1C ZINC000069128971 441895900 /nfs/dbraw/zinc/89/59/00/441895900.db2.gz CRTYWZIJGVTBNA-GFCCVEGCSA-N 1 0 341.433 1.973 20 5 EDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000119759336 441949723 /nfs/dbraw/zinc/94/97/23/441949723.db2.gz WALMWBFVNIFRGA-HNNXBMFYSA-N 1 0 332.404 1.921 20 5 EDBDRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000161991755 442052864 /nfs/dbraw/zinc/05/28/64/442052864.db2.gz HVMJBTRXWAPLJR-UHFFFAOYSA-N 1 0 340.767 1.351 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000162200389 442073609 /nfs/dbraw/zinc/07/36/09/442073609.db2.gz XENHJOXQJHNLQB-CYBMUJFWSA-N 1 0 341.433 1.974 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000127162746 442177373 /nfs/dbraw/zinc/17/73/73/442177373.db2.gz LNDYHHAYQCRTEC-CQSZACIVSA-N 1 0 337.424 1.726 20 5 EDBDRO CCC[C@@H]([NH2+]CCCNS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000121218784 442193642 /nfs/dbraw/zinc/19/36/42/442193642.db2.gz ZXWVQOKYDGSMKF-CQSZACIVSA-N 1 0 329.422 1.965 20 5 EDBDRO Cn1cc(C(=O)N2CCC[N@H+](C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000097025382 442156207 /nfs/dbraw/zinc/15/62/07/442156207.db2.gz DOIDMLFPFXGBJY-UHFFFAOYSA-N 1 0 343.387 1.773 20 5 EDBDRO C[C@]([NH2+]CCOc1ccccc1[N+](=O)[O-])(C(N)=O)c1ccccc1 ZINC000170644580 442240503 /nfs/dbraw/zinc/24/05/03/442240503.db2.gz OTGCRZKAYXJETA-QGZVFWFLSA-N 1 0 329.356 1.964 20 5 EDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000153124722 442262760 /nfs/dbraw/zinc/26/27/60/442262760.db2.gz YPJPLEYTFJOOPA-QWHCGFSZSA-N 1 0 342.193 1.877 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CCN(C)C[C@@H]2C(C)C)cc([N+](=O)[O-])c1 ZINC000154117290 442322058 /nfs/dbraw/zinc/32/20/58/442322058.db2.gz PRVSYSMKZFPSHO-OAHLLOKOSA-N 1 0 349.387 1.794 20 5 EDBDRO CCc1n[nH]c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000171397555 442345525 /nfs/dbraw/zinc/34/55/25/442345525.db2.gz FDURDXBMYMGDKQ-JTQLQIEISA-N 1 0 337.405 1.975 20 5 EDBDRO CCOc1cc(C(=O)NC[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000130395606 442345940 /nfs/dbraw/zinc/34/59/40/442345940.db2.gz OCDHSIYTLFJPDW-NSHDSACASA-N 1 0 337.376 1.874 20 5 EDBDRO COCC[N@H+](C)CCNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000171070441 442306286 /nfs/dbraw/zinc/30/62/86/442306286.db2.gz PEBHFHLEERSNFN-FNORWQNLSA-N 1 0 337.376 1.771 20 5 EDBDRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000171628787 442364573 /nfs/dbraw/zinc/36/45/73/442364573.db2.gz SSJZJKANTIHYJE-VIFPVBQESA-N 1 0 347.824 1.996 20 5 EDBDRO C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1nnnn1-c1ccccc1 ZINC000131001812 442361874 /nfs/dbraw/zinc/36/18/74/442361874.db2.gz OSMMQKFKCFGXIG-NSHDSACASA-N 1 0 328.336 1.118 20 5 EDBDRO CCc1ccc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000178077111 442405739 /nfs/dbraw/zinc/40/57/39/442405739.db2.gz ZELOVIRJHZMITN-CQSZACIVSA-N 1 0 347.415 1.952 20 5 EDBDRO CCN1CC[NH+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000178199435 442414884 /nfs/dbraw/zinc/41/48/84/442414884.db2.gz LCEQGMQADWCZCT-UHFFFAOYSA-N 1 0 349.435 1.325 20 5 EDBDRO Cc1cc(NC(=O)CN(C)C[C@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000178569927 442444822 /nfs/dbraw/zinc/44/48/22/442444822.db2.gz WINUGSGYAAPLLX-ZDUSSCGKSA-N 1 0 334.332 1.495 20 5 EDBDRO COC[C@H](Cc1ccccc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000191510785 442456804 /nfs/dbraw/zinc/45/68/04/442456804.db2.gz BCCUBAKBOIHZIB-RDJZCZTQSA-N 1 0 348.403 1.342 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000178978141 442543331 /nfs/dbraw/zinc/54/33/31/442543331.db2.gz UTNGELHLHYHTFO-ZDUSSCGKSA-N 1 0 332.404 1.877 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC000191863100 442527319 /nfs/dbraw/zinc/52/73/19/442527319.db2.gz USLSONFCUQOXFM-ZDUSSCGKSA-N 1 0 337.424 1.909 20 5 EDBDRO Cc1cc(C)c2c(c1)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000186710728 442597585 /nfs/dbraw/zinc/59/75/85/442597585.db2.gz KHHPJRNCLSJKPF-MRXNPFEDSA-N 1 0 330.388 1.827 20 5 EDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]2C1 ZINC000192474650 442651442 /nfs/dbraw/zinc/65/14/42/442651442.db2.gz IDGNCCWEHXZQCY-BETUJISGSA-N 1 0 341.371 1.414 20 5 EDBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000180544921 442619961 /nfs/dbraw/zinc/61/99/61/442619961.db2.gz IADSKCOMPYOKRI-LLVKDONJSA-N 1 0 335.408 1.812 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000173223560 442627617 /nfs/dbraw/zinc/62/76/17/442627617.db2.gz IGXOPZVQZIGXMY-AWEZNQCLSA-N 1 0 344.371 1.314 20 5 EDBDRO C[NH+](C)CCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000192807250 442688040 /nfs/dbraw/zinc/68/80/40/442688040.db2.gz MKFLZCJTZFTPSJ-UHFFFAOYSA-N 1 0 334.420 1.879 20 5 EDBDRO CS(=O)(=O)CCOCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193008031 442705098 /nfs/dbraw/zinc/70/50/98/442705098.db2.gz KXJXXNSYJDMUJW-OAHLLOKOSA-N 1 0 342.417 1.623 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000192660849 442673925 /nfs/dbraw/zinc/67/39/25/442673925.db2.gz QXPZEOXVYWUSEI-ZDUSSCGKSA-N 1 0 327.406 1.666 20 5 EDBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000181818752 442718466 /nfs/dbraw/zinc/71/84/66/442718466.db2.gz WDRLBBYFHYYAPV-ZDUSSCGKSA-N 1 0 345.403 1.946 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000193535548 442751718 /nfs/dbraw/zinc/75/17/18/442751718.db2.gz XBVORHRMOIMGFZ-FZMZJTMJSA-N 1 0 329.360 1.651 20 5 EDBDRO Cc1nn(C)c(Sc2nnc(C3CC[NH2+]CC3)n2C)c1[N+](=O)[O-] ZINC000265482346 442790061 /nfs/dbraw/zinc/79/00/61/442790061.db2.gz SVGAQUKGEZORPD-UHFFFAOYSA-N 1 0 337.409 1.383 20 5 EDBDRO C[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000183476262 442933873 /nfs/dbraw/zinc/93/38/73/442933873.db2.gz ZXEGAGQEKUVXND-BMIGLBTASA-N 1 0 327.356 1.266 20 5 EDBDRO C[NH+]1CCN(c2ccc(CNC(=O)CCC(C)(C)[N+](=O)[O-])cn2)CC1 ZINC000294609348 318614176 /nfs/dbraw/zinc/61/41/76/318614176.db2.gz XXKWYRLMESHXDL-UHFFFAOYSA-N 1 0 349.435 1.285 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000296330482 318686766 /nfs/dbraw/zinc/68/67/66/318686766.db2.gz QRFACZAQXLERID-LYRGGWFBSA-N 1 0 349.387 1.945 20 5 EDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000184722946 443066461 /nfs/dbraw/zinc/06/64/61/443066461.db2.gz RADDWQNASUOUJI-UHFFFAOYSA-N 1 0 333.392 1.663 20 5 EDBDRO O=C(NCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000236567414 443139812 /nfs/dbraw/zinc/13/98/12/443139812.db2.gz FDBCYMZBHHBJBP-UHFFFAOYSA-N 1 0 328.166 1.839 20 5 EDBDRO CC[NH+]1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])c(OC)c3)C2)CC1 ZINC000266380658 443112180 /nfs/dbraw/zinc/11/21/80/443112180.db2.gz MXXFRQDQEAAWON-HNNXBMFYSA-N 1 0 334.420 1.820 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1C ZINC000261798557 443170255 /nfs/dbraw/zinc/17/02/55/443170255.db2.gz UQYCKEYXDFAATC-OLZOCXBDSA-N 1 0 341.433 1.878 20 5 EDBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000190853603 443196511 /nfs/dbraw/zinc/19/65/11/443196511.db2.gz WNPHFOAQRNNGEU-UHFFFAOYSA-N 1 0 345.421 1.566 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)c1C ZINC000237534560 443175724 /nfs/dbraw/zinc/17/57/24/443175724.db2.gz JCYPVMBXZJXPIW-JQWIXIFHSA-N 1 0 327.406 1.712 20 5 EDBDRO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H](O)CN1CCOCC1 ZINC000269043323 443181255 /nfs/dbraw/zinc/18/12/55/443181255.db2.gz KPRGTZZUNRWQPV-ZDUSSCGKSA-N 1 0 343.811 1.373 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266609555 443185177 /nfs/dbraw/zinc/18/51/77/443185177.db2.gz TXPCSBBLURVLQU-CQSZACIVSA-N 1 0 349.435 1.072 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185169683 443152622 /nfs/dbraw/zinc/15/26/22/443152622.db2.gz HSNYCEPXQMYQJC-LLVKDONJSA-N 1 0 327.356 1.532 20 5 EDBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000303043299 318915633 /nfs/dbraw/zinc/91/56/33/318915633.db2.gz WTATWLGUUWPXGL-UTUOFQBUSA-N 1 0 336.392 1.792 20 5 EDBDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000185198778 443159444 /nfs/dbraw/zinc/15/94/44/443159444.db2.gz PWZJCPGLZJWJMF-GFCCVEGCSA-N 1 0 339.396 1.684 20 5 EDBDRO CC[C@@](C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nccs1 ZINC000266746919 443227829 /nfs/dbraw/zinc/22/78/29/443227829.db2.gz ORSYUNBBCDXZKU-WCQYABFASA-N 1 0 325.394 1.524 20 5 EDBDRO C[NH+](C)CCCCCCCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269191123 443227833 /nfs/dbraw/zinc/22/78/33/443227833.db2.gz FKPYIUDNRQXOHK-UHFFFAOYSA-N 1 0 340.428 1.603 20 5 EDBDRO C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000269192319 443227933 /nfs/dbraw/zinc/22/79/33/443227933.db2.gz KQHSAMYESMCLMJ-WDEREUQCSA-N 1 0 325.340 1.617 20 5 EDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1COc2ccccc21 ZINC000185647997 443232778 /nfs/dbraw/zinc/23/27/78/443232778.db2.gz LAWYXWSFHOIWEM-IUODEOHRSA-N 1 0 329.356 1.911 20 5 EDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269139035 443209770 /nfs/dbraw/zinc/20/97/70/443209770.db2.gz ZQRYBIJCWUNTCS-ZIAGYGMSSA-N 1 0 334.376 1.101 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000262748820 443210167 /nfs/dbraw/zinc/21/01/67/443210167.db2.gz FPEJTCGBQJYHEG-WCBMZHEXSA-N 1 0 333.797 1.525 20 5 EDBDRO CCc1[nH]nc(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)c1[N+](=O)[O-] ZINC000351239970 319098024 /nfs/dbraw/zinc/09/80/24/319098024.db2.gz IBLOAIDCUFQSJA-ZUZCIYMTSA-N 1 0 348.363 1.856 20 5 EDBDRO Cc1ccc(C[NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)cc1[N+](=O)[O-] ZINC000360094211 319117034 /nfs/dbraw/zinc/11/70/34/319117034.db2.gz YYEXDAXQUGLVHB-CYBMUJFWSA-N 1 0 329.360 1.532 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000382527349 319123942 /nfs/dbraw/zinc/12/39/42/319123942.db2.gz VIXGFBSECDVXIP-PSASIEDQSA-N 1 0 333.797 1.654 20 5 EDBDRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000397253695 319133714 /nfs/dbraw/zinc/13/37/14/319133714.db2.gz DRBDSHAFKZMUKN-WOPDTQHZSA-N 1 0 327.406 1.589 20 5 EDBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1C ZINC000414074611 319315211 /nfs/dbraw/zinc/31/52/11/319315211.db2.gz NCGYKSPLIBYHLW-UHIISALHSA-N 1 0 327.406 1.507 20 5 EDBDRO Cc1ccc(N(C)C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)nn1 ZINC000267041269 443322040 /nfs/dbraw/zinc/32/20/40/443322040.db2.gz DCKQQRGLMHTRNB-UHFFFAOYSA-N 1 0 345.407 1.491 20 5 EDBDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269501793 443328374 /nfs/dbraw/zinc/32/83/74/443328374.db2.gz BFCBNUNLKZHAAZ-CQSZACIVSA-N 1 0 347.371 1.918 20 5 EDBDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000269372339 443296919 /nfs/dbraw/zinc/29/69/19/443296919.db2.gz UIFQYWREOAIORE-LLVKDONJSA-N 1 0 331.369 1.449 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000267189933 443372971 /nfs/dbraw/zinc/37/29/71/443372971.db2.gz OMMTXLOXJGNRAH-GFCCVEGCSA-N 1 0 329.422 1.830 20 5 EDBDRO CNC(=O)c1ccc(NC[C@@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000267127092 443350949 /nfs/dbraw/zinc/35/09/49/443350949.db2.gz VBDVIUUEASSNHU-HNNXBMFYSA-N 1 0 338.433 1.804 20 5 EDBDRO Cc1c(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000278518333 443351091 /nfs/dbraw/zinc/35/10/91/443351091.db2.gz CFYDKLJEHMXBGY-NWDGAFQWSA-N 1 0 336.392 1.822 20 5 EDBDRO C[NH2+][C@H]1CCCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000420438916 319619757 /nfs/dbraw/zinc/61/97/57/319619757.db2.gz RVNDSRPRSYLDGP-ZDUSSCGKSA-N 1 0 327.406 1.151 20 5 EDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000264938438 443484363 /nfs/dbraw/zinc/48/43/63/443484363.db2.gz VBJPBDJRCQWLGG-LLVKDONJSA-N 1 0 332.364 1.246 20 5 EDBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000264876828 443462792 /nfs/dbraw/zinc/46/27/92/443462792.db2.gz QCXOCNQDBNRZAR-DYEKYZERSA-N 1 0 348.403 1.358 20 5 EDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000423675418 319801002 /nfs/dbraw/zinc/80/10/02/319801002.db2.gz QDDCQCXUUFDUON-BXKDBHETSA-N 1 0 325.390 1.017 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000272289871 443581137 /nfs/dbraw/zinc/58/11/37/443581137.db2.gz PHPRUQOIGILNGM-RYUDHWBXSA-N 1 0 329.360 1.590 20 5 EDBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000265245181 443582103 /nfs/dbraw/zinc/58/21/03/443582103.db2.gz VBFUZKVWHOXFDD-LBPRGKRZSA-N 1 0 341.433 1.776 20 5 EDBDRO CC(C)OCCOC[C@@H](O)C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000265276490 443591909 /nfs/dbraw/zinc/59/19/09/443591909.db2.gz VZZQIHZBFKHJEG-KRWDZBQOSA-N 1 0 340.420 1.872 20 5 EDBDRO CC(C)CN(C(=O)CCn1cc([N+](=O)[O-])cn1)C1CC[NH+](C)CC1 ZINC000265140424 443547103 /nfs/dbraw/zinc/54/71/03/443547103.db2.gz VRCSSYPNIBAUEY-UHFFFAOYSA-N 1 0 337.424 1.760 20 5 EDBDRO CCOC(=O)c1ccnc(N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000272196674 443554447 /nfs/dbraw/zinc/55/44/47/443554447.db2.gz NTGOUVKFKFGYPS-WCQYABFASA-N 1 0 334.376 1.697 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000279778515 443626989 /nfs/dbraw/zinc/62/69/89/443626989.db2.gz NMECKZCVGGQBCS-AWEZNQCLSA-N 1 0 337.376 1.635 20 5 EDBDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000286065129 443638485 /nfs/dbraw/zinc/63/84/85/443638485.db2.gz RRGMMIVWLMQZBZ-UHFFFAOYSA-N 1 0 337.380 1.083 20 5 EDBDRO COc1ccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000286192107 443665324 /nfs/dbraw/zinc/66/53/24/443665324.db2.gz XPMYCOKBZSXNDJ-DZGCQCFKSA-N 1 0 335.404 1.898 20 5 EDBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000441353003 320094315 /nfs/dbraw/zinc/09/43/15/320094315.db2.gz FZYVXURNIDDSCD-YGRLFVJLSA-N 1 0 348.359 1.007 20 5 EDBDRO CNS(=O)(=O)c1ccc(NCC[N@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000280116928 443666728 /nfs/dbraw/zinc/66/67/28/443666728.db2.gz CEKUFKIRDZWCRX-UHFFFAOYSA-N 1 0 340.405 1.177 20 5 EDBDRO CSc1ccc(C(=O)NC[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000449703169 320200295 /nfs/dbraw/zinc/20/02/95/320200295.db2.gz FNDIYXQRDNWFRF-NSHDSACASA-N 1 0 325.390 1.425 20 5 EDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000449748267 320204630 /nfs/dbraw/zinc/20/46/30/320204630.db2.gz KYSKAPRNMVNCIE-CQSZACIVSA-N 1 0 329.360 1.651 20 5 EDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000492097362 320376068 /nfs/dbraw/zinc/37/60/68/320376068.db2.gz VVLUHMLAHRHYHA-UYZDIKGJSA-N 1 0 345.399 1.789 20 5 EDBDRO C[C@@H](O)C[NH+]1CCC(CN(C)c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000516957187 320443847 /nfs/dbraw/zinc/44/38/47/320443847.db2.gz PMKABPHEWLNPEC-LLVKDONJSA-N 1 0 326.372 1.658 20 5 EDBDRO CCN1CCN(c2nc(N3CC[NH+](CC)CC3)ccc2[N+](=O)[O-])CC1 ZINC000276581747 443754191 /nfs/dbraw/zinc/75/41/91/443754191.db2.gz OSCAZGUIECKLHB-UHFFFAOYSA-N 1 0 348.451 1.274 20 5 EDBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)CO ZINC000298459379 443773607 /nfs/dbraw/zinc/77/36/07/443773607.db2.gz ROEFWBXBUULMMO-NSHDSACASA-N 1 0 325.365 1.635 20 5 EDBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000298691596 443839855 /nfs/dbraw/zinc/83/98/55/443839855.db2.gz DOFSGQOKPAFEQY-RYUDHWBXSA-N 1 0 335.408 1.869 20 5 EDBDRO O=C(NCCNc1cc[nH+]cc1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000533811853 320695520 /nfs/dbraw/zinc/69/55/20/320695520.db2.gz UYPJYTBOFRBETQ-UHFFFAOYSA-N 1 0 344.327 1.025 20 5 EDBDRO COc1ccc(NC(=O)CC[NH2+][C@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000298763324 443861911 /nfs/dbraw/zinc/86/19/11/443861911.db2.gz CTDZVEWBHHBDBI-CYBMUJFWSA-N 1 0 325.365 1.539 20 5 EDBDRO Cc1cc(OCC(=O)N2CCO[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000281275765 443866571 /nfs/dbraw/zinc/86/65/71/443866571.db2.gz GIJLYYKEMOIHLK-CQSZACIVSA-N 1 0 337.376 1.071 20 5 EDBDRO CC(C)[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000299003934 443926608 /nfs/dbraw/zinc/92/66/08/443926608.db2.gz KSBYOXXVDQHTTE-ZDUSSCGKSA-N 1 0 340.449 1.658 20 5 EDBDRO Cn1nccc1C1=CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000285470610 443997134 /nfs/dbraw/zinc/99/71/34/443997134.db2.gz BYVFOSGZFRYCPT-UHFFFAOYSA-N 1 0 329.360 1.279 20 5 EDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000285693446 444074883 /nfs/dbraw/zinc/07/48/83/444074883.db2.gz KUBBLYCGUGOHGG-LBPRGKRZSA-N 1 0 331.376 1.884 20 5 EDBDRO Cc1cc(OCC(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000285714435 444082451 /nfs/dbraw/zinc/08/24/51/444082451.db2.gz JJPNJHINONABGM-JKSUJKDBSA-N 1 0 349.387 1.214 20 5 EDBDRO O=C(C[N@H+]1CCCC[C@H]1C1(O)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000562682285 321069792 /nfs/dbraw/zinc/06/97/92/321069792.db2.gz NLLBGDJIIWLIRB-INIZCTEOSA-N 1 0 345.399 1.863 20 5 EDBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000563068339 321092376 /nfs/dbraw/zinc/09/23/76/321092376.db2.gz ODLMQQWGGHYXFO-NSHDSACASA-N 1 0 346.391 1.707 20 5 EDBDRO C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)S(C)(=O)=O ZINC000564813404 321148450 /nfs/dbraw/zinc/14/84/50/321148450.db2.gz MRALHADLXASRFO-GRYCIOLGSA-N 1 0 330.410 1.298 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCOC(F)(F)F)cc1 ZINC000564863291 321152973 /nfs/dbraw/zinc/15/29/73/321152973.db2.gz IJDBKJQYOWPJLD-UHFFFAOYSA-N 1 0 342.295 1.495 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c(C)cc1[N+](=O)[O-] ZINC000565247487 321179442 /nfs/dbraw/zinc/17/94/42/321179442.db2.gz WYLFBBDNOSYPIH-STQMWFEESA-N 1 0 341.433 1.960 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000566215401 321223109 /nfs/dbraw/zinc/22/31/09/321223109.db2.gz JBGQGEGSLRUJJF-LBPRGKRZSA-N 1 0 327.406 1.571 20 5 EDBDRO COCC[C@@]1([NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])CCOC1 ZINC000569067988 321316826 /nfs/dbraw/zinc/31/68/26/321316826.db2.gz SATVWVJRYDBMRD-MRXNPFEDSA-N 1 0 340.376 1.767 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000570071670 321336560 /nfs/dbraw/zinc/33/65/60/321336560.db2.gz GPYMNBNQICZVQK-HZSPNIEDSA-N 1 0 348.403 1.661 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCC[C@@H]2CCCC[C@H]2O)c1 ZINC000570212528 321341185 /nfs/dbraw/zinc/34/11/85/321341185.db2.gz PIAXPQYXXAJGFB-NWANDNLSSA-N 1 0 326.397 1.073 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000571384858 321385378 /nfs/dbraw/zinc/38/53/78/321385378.db2.gz SFVFGEBWELFQRG-CQSZACIVSA-N 1 0 348.403 1.784 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[C@H]2C1 ZINC000285794923 444110327 /nfs/dbraw/zinc/11/03/27/444110327.db2.gz NSOXONOSLRPFOT-LSDHHAIUSA-N 1 0 344.371 1.621 20 5 EDBDRO CC(C)[C@](C)([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(N)=O ZINC000289349745 444114659 /nfs/dbraw/zinc/11/46/59/444114659.db2.gz MUVOHRXHXSWDBJ-AWEZNQCLSA-N 1 0 342.783 1.676 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000289425444 444139406 /nfs/dbraw/zinc/13/94/06/444139406.db2.gz CITFZJDKHLBMHY-LLVKDONJSA-N 1 0 329.422 1.910 20 5 EDBDRO C[NH+]1CCC(Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000301056223 444140817 /nfs/dbraw/zinc/14/08/17/444140817.db2.gz GCRFOUVJLNDBBJ-UHFFFAOYSA-N 1 0 348.403 1.573 20 5 EDBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CCC[N@@H+](CCCO)C2)s1 ZINC000294857435 444151249 /nfs/dbraw/zinc/15/12/49/444151249.db2.gz BUJVAADXPBDZFP-JTQLQIEISA-N 1 0 337.405 1.858 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC=C(c3cccnc3)C2)c1 ZINC000289470351 444152246 /nfs/dbraw/zinc/15/22/46/444152246.db2.gz YYROICXOYIEAIH-MRXNPFEDSA-N 1 0 329.360 1.337 20 5 EDBDRO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000301444264 444172204 /nfs/dbraw/zinc/17/22/04/444172204.db2.gz OSORGKWSCPYIMP-UHFFFAOYSA-N 1 0 327.356 1.635 20 5 EDBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000302160684 444206966 /nfs/dbraw/zinc/20/69/66/444206966.db2.gz GXUKZQVALDRGIV-WCQYABFASA-N 1 0 328.376 1.899 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](CO)C2CCCC2)cc1 ZINC000289571263 444174051 /nfs/dbraw/zinc/17/40/51/444174051.db2.gz POIKJRWAGREDGI-HNNXBMFYSA-N 1 0 342.417 1.509 20 5 EDBDRO C[C@@H](O)C[N@H+](CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000289939426 444221916 /nfs/dbraw/zinc/22/19/16/444221916.db2.gz VIAVQOSPVDPLGK-GFCCVEGCSA-N 1 0 335.360 1.467 20 5 EDBDRO COCCC[NH+]1CCC(Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301853571 444193675 /nfs/dbraw/zinc/19/36/75/444193675.db2.gz XYUWTBLECPNQCG-UHFFFAOYSA-N 1 0 334.380 1.550 20 5 EDBDRO CCc1nn(C)c(N2CC[N@H+](C[C@H](C)O)[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000301912509 444196505 /nfs/dbraw/zinc/19/65/05/444196505.db2.gz DDTLBBLLQQMORC-RYUDHWBXSA-N 1 0 325.413 1.172 20 5 EDBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000290260540 444260453 /nfs/dbraw/zinc/26/04/53/444260453.db2.gz SNLAPXNJTUEDOJ-GFCCVEGCSA-N 1 0 329.422 1.994 20 5 EDBDRO Cc1cnn([C@@H]2CC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000289970742 444225823 /nfs/dbraw/zinc/22/58/23/444225823.db2.gz RCISQWAEIGZHAE-CVEARBPZSA-N 1 0 346.387 1.786 20 5 EDBDRO CC(C)[C@H](C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[NH+](C)C ZINC000297085516 444272381 /nfs/dbraw/zinc/27/23/81/444272381.db2.gz XWROGQMHAIQAEF-CQSZACIVSA-N 1 0 335.408 1.225 20 5 EDBDRO Cc1cc(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc([N+](=O)[O-])c1 ZINC000304236817 444243865 /nfs/dbraw/zinc/24/38/65/444243865.db2.gz QGAWSAMQDBUSPW-INIZCTEOSA-N 1 0 335.404 1.726 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000290671673 444308840 /nfs/dbraw/zinc/30/88/40/444308840.db2.gz PKTZOEQJFZMXPM-UHFFFAOYSA-N 1 0 342.827 1.862 20 5 EDBDRO Cc1cnc([C@H](C)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000577503351 321658693 /nfs/dbraw/zinc/65/86/93/321658693.db2.gz ZHLPCLOFYMYEAH-BXKDBHETSA-N 1 0 325.394 1.310 20 5 EDBDRO C[C@H](c1cnn(C)c1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000305838498 444282689 /nfs/dbraw/zinc/28/26/89/444282689.db2.gz QPEWOSFSMHVJOY-IUODEOHRSA-N 1 0 334.376 1.761 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000297723836 444324416 /nfs/dbraw/zinc/32/44/16/444324416.db2.gz BPCRUGIKBSAZIP-ZDUSSCGKSA-N 1 0 348.403 1.690 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000323722462 444345985 /nfs/dbraw/zinc/34/59/85/444345985.db2.gz MUFVVWUIFQXOQH-WFASDCNBSA-N 1 0 339.417 1.653 20 5 EDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000330990421 444349209 /nfs/dbraw/zinc/34/92/09/444349209.db2.gz RPXUSIJLCRVSBH-INIZCTEOSA-N 1 0 334.420 1.830 20 5 EDBDRO CC[NH+]1CCC(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000337816834 444421136 /nfs/dbraw/zinc/42/11/36/444421136.db2.gz RFMTXWYPKJAWON-UHFFFAOYSA-N 1 0 327.406 1.666 20 5 EDBDRO COc1ccc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1[N+](=O)[O-] ZINC000327041860 444380125 /nfs/dbraw/zinc/38/01/25/444380125.db2.gz KWMXZPVELLVYRP-UHFFFAOYSA-N 1 0 346.347 1.372 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000331169997 444429183 /nfs/dbraw/zinc/42/91/83/444429183.db2.gz UHITUCVOZZWHMR-AWEZNQCLSA-N 1 0 337.424 1.597 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)C[C@H]21 ZINC000580946939 322115256 /nfs/dbraw/zinc/11/52/56/322115256.db2.gz NOOFXAVSTXTWFC-YUSALJHKSA-N 1 0 333.344 1.523 20 5 EDBDRO CCNC(=O)C(C)(C)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000581424491 322175610 /nfs/dbraw/zinc/17/56/10/322175610.db2.gz RUDBIBWZUMOMJB-CYBMUJFWSA-N 1 0 339.392 1.086 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000581459569 322179104 /nfs/dbraw/zinc/17/91/04/322179104.db2.gz YYJTUDXVFXDGNK-GFCCVEGCSA-N 1 0 348.403 1.554 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000581602793 322197525 /nfs/dbraw/zinc/19/75/25/322197525.db2.gz QOUYLDLUAORYMP-MRXNPFEDSA-N 1 0 335.404 1.551 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCN3C[C@H]4CC[C@@H](C3)O4)C2)nc1 ZINC000342476922 444707593 /nfs/dbraw/zinc/70/75/93/444707593.db2.gz DQROEJPEEMBEKE-CWRNSKLLSA-N 1 0 347.419 1.339 20 5 EDBDRO O=C(NCCNc1cc[nH+]cc1)NCCc1ccccc1[N+](=O)[O-] ZINC000341238841 444744172 /nfs/dbraw/zinc/74/41/72/444744172.db2.gz JRSXKZQZGNDXBY-UHFFFAOYSA-N 1 0 329.360 1.366 20 5 EDBDRO COc1ccc(CN2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cc1[N+](=O)[O-] ZINC000344084183 444772453 /nfs/dbraw/zinc/77/24/53/444772453.db2.gz GDLWOALNZSXUBB-NSHDSACASA-N 1 0 333.348 1.807 20 5 EDBDRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000341583065 444907117 /nfs/dbraw/zinc/90/71/17/444907117.db2.gz DFINPVAUNZLXPI-HNNXBMFYSA-N 1 0 339.367 1.557 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000330426629 444976809 /nfs/dbraw/zinc/97/68/09/444976809.db2.gz SWOPIAKJJZURIR-ZDUSSCGKSA-N 1 0 341.433 1.913 20 5 EDBDRO CN(C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C)c1ncc([N+](=O)[O-])cn1 ZINC000344463791 444991881 /nfs/dbraw/zinc/99/18/81/444991881.db2.gz ZJRAAEQPVSBGNI-WFASDCNBSA-N 1 0 345.407 1.638 20 5 EDBDRO CCn1cc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])n1 ZINC000339043590 445004906 /nfs/dbraw/zinc/00/49/06/445004906.db2.gz JFRNJVUQPBQZIJ-SNVBAGLBSA-N 1 0 347.441 1.066 20 5 EDBDRO COc1ccc(C(=O)N(C)C[C@H]2C[C@@H](OC)C[N@H+]2C)cc1[N+](=O)[O-] ZINC000344503572 445018454 /nfs/dbraw/zinc/01/84/54/445018454.db2.gz FJBPXTRXAIPERB-CHWSQXEVSA-N 1 0 337.376 1.395 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000345874590 445201207 /nfs/dbraw/zinc/20/12/07/445201207.db2.gz LVASULJVLATMMJ-GDLCADMTSA-N 1 0 334.376 1.426 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)[C@H](C(N)=O)C1 ZINC000346635131 445220636 /nfs/dbraw/zinc/22/06/36/445220636.db2.gz BBTHRJBPWGGAKX-WCQYABFASA-N 1 0 334.376 1.285 20 5 EDBDRO CC(C)([NH3+])CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000346641090 445220951 /nfs/dbraw/zinc/22/09/51/445220951.db2.gz WOSAJWRDFQYKHY-UHFFFAOYSA-N 1 0 342.421 1.529 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000347483134 445239467 /nfs/dbraw/zinc/23/94/67/445239467.db2.gz LRZSPZMAVIMYTG-UHFFFAOYSA-N 1 0 337.424 1.728 20 5 EDBDRO C[NH+](C)[C@@]1(CNc2ncnc3cccc([N+](=O)[O-])c32)CCSC1 ZINC000347466640 445239042 /nfs/dbraw/zinc/23/90/42/445239042.db2.gz SUGLFTKGBLOVCZ-OAHLLOKOSA-N 1 0 333.417 2.387 20 5 EDBDRO CCOC(=O)COCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000351711827 445286509 /nfs/dbraw/zinc/28/65/09/445286509.db2.gz KKLRXUXTOSEIAV-GFCCVEGCSA-N 1 0 338.364 1.056 20 5 EDBDRO CC(C)[C@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[NH+](C)C ZINC000362393296 445358738 /nfs/dbraw/zinc/35/87/38/445358738.db2.gz FLGPLKBIAKMWNT-OAHLLOKOSA-N 1 0 331.376 2.510 20 5 EDBDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000362510879 445418258 /nfs/dbraw/zinc/41/82/58/445418258.db2.gz MLJQUGSTPQOUPW-HUUCEWRRSA-N 1 0 328.340 1.644 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1[NH+](C)C ZINC000359778248 445423399 /nfs/dbraw/zinc/42/33/99/445423399.db2.gz NBDKGZWFMOCNIM-BLLLJJGKSA-N 1 0 343.387 1.803 20 5 EDBDRO COc1ccc(CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)cc1[N+](=O)[O-] ZINC000362546769 445432545 /nfs/dbraw/zinc/43/25/45/445432545.db2.gz BRVQVBGIHZAAMV-NSHDSACASA-N 1 0 345.359 1.333 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000360007904 445525403 /nfs/dbraw/zinc/52/54/03/445525403.db2.gz SKPKHOHKDPSDDV-QWHCGFSZSA-N 1 0 339.417 1.570 20 5 EDBDRO COc1cc(C(=O)NCCOCC[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000359941238 445497225 /nfs/dbraw/zinc/49/72/25/445497225.db2.gz JUPQGGWDLMXOFM-UHFFFAOYSA-N 1 0 325.365 1.220 20 5 EDBDRO CC(C)OCC[C@@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000349270138 445552026 /nfs/dbraw/zinc/55/20/26/445552026.db2.gz WVZWIPHBHGHQGS-QGZVFWFLSA-N 1 0 337.420 1.893 20 5 EDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000362827600 445569141 /nfs/dbraw/zinc/56/91/41/445569141.db2.gz AHGWMWWDXAJXKV-ZIAGYGMSSA-N 1 0 332.404 1.552 20 5 EDBDRO C[C@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1[NH+](C)C ZINC000362894402 445600073 /nfs/dbraw/zinc/60/00/73/445600073.db2.gz QJZZQQJQXUHWEX-XPTSAGLGSA-N 1 0 327.331 1.824 20 5 EDBDRO C[N@H+]1CC=C(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000362986953 445639399 /nfs/dbraw/zinc/63/93/99/445639399.db2.gz PCNMJFBANXUYNX-UHFFFAOYSA-N 1 0 325.315 1.794 20 5 EDBDRO O=C1[C@H]([NH2+][C@H]2CCc3nccn3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000363069738 445666700 /nfs/dbraw/zinc/66/67/00/445666700.db2.gz YOFJFJNXNJWNCV-SWLSCSKDSA-N 1 0 341.371 1.501 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000353733616 445730219 /nfs/dbraw/zinc/73/02/19/445730219.db2.gz ANDUNLKUHITKQX-RISCZKNCSA-N 1 0 338.360 1.804 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]CCc2ccncc2)cc1[N+](=O)[O-] ZINC000353758595 445741274 /nfs/dbraw/zinc/74/12/74/445741274.db2.gz MPPAHTUVWLZZPG-UHFFFAOYSA-N 1 0 345.355 1.874 20 5 EDBDRO Nc1c(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000356526100 445841742 /nfs/dbraw/zinc/84/17/42/445841742.db2.gz BESRUISLPLUUBK-CYBMUJFWSA-N 1 0 348.403 1.504 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000365134804 446047169 /nfs/dbraw/zinc/04/71/69/446047169.db2.gz QSQPGJVZBXYKHX-AWEZNQCLSA-N 1 0 335.408 1.495 20 5 EDBDRO CC1CCN(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000583376413 326061007 /nfs/dbraw/zinc/06/10/07/326061007.db2.gz MSAHNBVWHTVBRS-MRXNPFEDSA-N 1 0 337.420 1.656 20 5 EDBDRO C[NH+](C)CCOCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000359229118 446059125 /nfs/dbraw/zinc/05/91/25/446059125.db2.gz LECNLAUCFIKZLX-UHFFFAOYSA-N 1 0 337.423 1.050 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000583871509 326157507 /nfs/dbraw/zinc/15/75/07/326157507.db2.gz LTPZNKGFDWBWJN-TZMCWYRMSA-N 1 0 341.433 1.953 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1 ZINC000366218399 446088262 /nfs/dbraw/zinc/08/82/62/446088262.db2.gz LTOMBJFETGUOTD-OAHLLOKOSA-N 1 0 333.436 1.903 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)c1C ZINC000373175151 446076023 /nfs/dbraw/zinc/07/60/23/446076023.db2.gz YIQXXUFSXCQUFP-XYYAHUGASA-N 1 0 339.417 1.854 20 5 EDBDRO CC[N@@H+]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000369582770 446133821 /nfs/dbraw/zinc/13/38/21/446133821.db2.gz FBBAPIFMOJCFMP-INIZCTEOSA-N 1 0 332.404 1.728 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)C1 ZINC000359634592 446330306 /nfs/dbraw/zinc/33/03/06/446330306.db2.gz DMISPRFVOGPZDJ-RYUDHWBXSA-N 1 0 347.375 1.536 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418083247 446436707 /nfs/dbraw/zinc/43/67/07/446436707.db2.gz KRSVGNKUGGOQPM-INIZCTEOSA-N 1 0 344.375 1.366 20 5 EDBDRO NS(=O)(=O)c1cc(NC2[C@@H]3CC[C@H]2CC([NH3+])C3)cc([N+](=O)[O-])c1 ZINC000420268160 446440658 /nfs/dbraw/zinc/44/06/58/446440658.db2.gz ANSGDNKQOOAEBU-HZNSRWLBSA-N 1 0 340.405 1.170 20 5 EDBDRO Cc1cc(NC[C@H]2C[NH2+]CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420273256 446443809 /nfs/dbraw/zinc/44/38/09/446443809.db2.gz LWDHEEHUKXKRAH-OAHLLOKOSA-N 1 0 343.387 1.573 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000370718882 446401891 /nfs/dbraw/zinc/40/18/91/446401891.db2.gz GTRLFKRUIGDMSA-LBPRGKRZSA-N 1 0 337.376 1.132 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000411260657 446451570 /nfs/dbraw/zinc/45/15/70/446451570.db2.gz ZSZJXPLJTFCHPO-LBPRGKRZSA-N 1 0 346.387 1.503 20 5 EDBDRO [NH3+][C@@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC000423228609 446459422 /nfs/dbraw/zinc/45/94/22/446459422.db2.gz DIFSARDDUFCYQD-OAHLLOKOSA-N 1 0 346.387 1.007 20 5 EDBDRO CO[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420314042 446478112 /nfs/dbraw/zinc/47/81/12/446478112.db2.gz VDJBKVKDBOTADR-STQMWFEESA-N 1 0 336.392 1.362 20 5 EDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418314287 446495274 /nfs/dbraw/zinc/49/52/74/446495274.db2.gz JGIPWIHDALLRQF-GFCCVEGCSA-N 1 0 334.376 1.367 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000420334021 446504077 /nfs/dbraw/zinc/50/40/77/446504077.db2.gz KUKVWXKPHCSVAZ-DOMZBBRYSA-N 1 0 339.417 1.052 20 5 EDBDRO O=C(CN1CC[C@@H]2[NH2+]CC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420334826 446504367 /nfs/dbraw/zinc/50/43/67/446504367.db2.gz LJHAESGAKUAAOT-GWCFXTLKSA-N 1 0 338.795 1.871 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](NC[C@H]2C[NH2+]C[C@@H]2O)c2ccccc2)c1 ZINC000423396290 446516493 /nfs/dbraw/zinc/51/64/93/446516493.db2.gz BEIPWLURSMJEBN-BPQIPLTHSA-N 1 0 327.384 1.854 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000411573044 446609328 /nfs/dbraw/zinc/60/93/28/446609328.db2.gz RPASHEJTOGWDPG-LBPRGKRZSA-N 1 0 337.376 1.779 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](CC[NH3+])C(F)F ZINC000420462050 446640824 /nfs/dbraw/zinc/64/08/24/446640824.db2.gz MLPLUESHFLSUFE-JTQLQIEISA-N 1 0 337.348 1.472 20 5 EDBDRO CN(CC[NH3+])S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000420473035 446648536 /nfs/dbraw/zinc/64/85/36/446648536.db2.gz UUMHUAZZQAYYTL-UHFFFAOYSA-N 1 0 327.284 1.193 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000420481870 446651559 /nfs/dbraw/zinc/65/15/59/446651559.db2.gz SDZMWRUOYHWQHR-ZWNOBZJWSA-N 1 0 341.433 1.817 20 5 EDBDRO COc1ccc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000420447008 446623263 /nfs/dbraw/zinc/62/32/63/446623263.db2.gz PPVWDBPOOPGHMV-NSHDSACASA-N 1 0 343.405 1.414 20 5 EDBDRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000371092491 446623272 /nfs/dbraw/zinc/62/32/72/446623272.db2.gz FQEGXVINNHRYGA-LRDDRELGSA-N 1 0 332.360 1.405 20 5 EDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1ccn(-c3ccccc3[N+](=O)[O-])n1)C2 ZINC000619251878 450434727 /nfs/dbraw/zinc/43/47/27/450434727.db2.gz UGTRAZSCAQAXBQ-UHFFFAOYSA-N 1 0 341.371 1.558 20 5 EDBDRO Cn1ncc2c1CCC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000411847765 446695346 /nfs/dbraw/zinc/69/53/46/446695346.db2.gz MTIIKCMIJJDVHY-OAHLLOKOSA-N 1 0 346.387 1.516 20 5 EDBDRO C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000418782765 446699807 /nfs/dbraw/zinc/69/98/07/446699807.db2.gz NNNZQCSCDGYACJ-LLVKDONJSA-N 1 0 336.392 1.215 20 5 EDBDRO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000418784102 446701292 /nfs/dbraw/zinc/70/12/92/446701292.db2.gz PESDWBZTBUMTND-SGMGOOAPSA-N 1 0 348.403 1.276 20 5 EDBDRO NC(=O)c1ccc(C[NH+]2CCC([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000368236434 446729485 /nfs/dbraw/zinc/72/94/85/446729485.db2.gz UAVPAYBBUNETDN-HNNXBMFYSA-N 1 0 333.388 1.942 20 5 EDBDRO COc1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000420760956 446799121 /nfs/dbraw/zinc/79/91/21/446799121.db2.gz GRZVIVBUUBWJJW-NSHDSACASA-N 1 0 343.405 1.318 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000423943724 446791596 /nfs/dbraw/zinc/79/15/96/446791596.db2.gz GOIPFOGWMWJXIC-QMTHXVAHSA-N 1 0 329.360 1.415 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)c1 ZINC000412033499 446794329 /nfs/dbraw/zinc/79/43/29/446794329.db2.gz FMLNQNCHPZSISF-WMHQRMGPSA-N 1 0 336.388 1.427 20 5 EDBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368386764 446830148 /nfs/dbraw/zinc/83/01/48/446830148.db2.gz ZUWZJQMNAHTNIK-XJKSGUPXSA-N 1 0 330.388 1.629 20 5 EDBDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000377039006 446878535 /nfs/dbraw/zinc/87/85/35/446878535.db2.gz CWUXJLXDVQTRKF-MMVSWEMESA-N 1 0 335.326 1.573 20 5 EDBDRO CNc1nc(C(=O)N2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000454546526 446907961 /nfs/dbraw/zinc/90/79/61/446907961.db2.gz GGLUQKAZBZAUNQ-UHFFFAOYSA-N 1 0 333.392 1.732 20 5 EDBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000371542462 446924863 /nfs/dbraw/zinc/92/48/63/446924863.db2.gz KSPWXXRYXURZKV-QWRGUYRKSA-N 1 0 347.400 1.956 20 5 EDBDRO CCC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420976043 446947936 /nfs/dbraw/zinc/94/79/36/446947936.db2.gz SBKDIOXDAJHLHR-GFCCVEGCSA-N 1 0 329.422 1.994 20 5 EDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000419153627 446970046 /nfs/dbraw/zinc/97/00/46/446970046.db2.gz PSRVBDMEDPJVRT-STQMWFEESA-N 1 0 348.403 1.373 20 5 EDBDRO CNc1nc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000454983337 447019460 /nfs/dbraw/zinc/01/94/60/447019460.db2.gz AVAVICSPVWMTEN-NEPJUHHUSA-N 1 0 335.408 1.882 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000419159141 446975390 /nfs/dbraw/zinc/97/53/90/446975390.db2.gz FVMGKPBEABSAFV-HUBLWGQQSA-N 1 0 348.403 1.358 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000375695160 446983425 /nfs/dbraw/zinc/98/34/25/446983425.db2.gz ZVYFUSRGAXZMRC-AWEZNQCLSA-N 1 0 343.387 1.580 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000377197135 446985763 /nfs/dbraw/zinc/98/57/63/446985763.db2.gz PGZVXZYYMBHOJW-OAGGEKHMSA-N 1 0 336.388 1.965 20 5 EDBDRO [NH3+][C@H]1CCC[C@@]12CCN(S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C2 ZINC000377272695 447032409 /nfs/dbraw/zinc/03/24/09/447032409.db2.gz GFRZFRJCUKSRGJ-JSGCOSHPSA-N 1 0 343.380 1.626 20 5 EDBDRO C[C@H](O)C[N@H+](C)C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000444391153 447100743 /nfs/dbraw/zinc/10/07/43/447100743.db2.gz JHHUUJYGTUDNSG-JTQLQIEISA-N 1 0 327.406 1.574 20 5 EDBDRO CCOc1cc(CN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000419325740 447092001 /nfs/dbraw/zinc/09/20/01/447092001.db2.gz BGYVRYZHPUJHMQ-KGLIPLIRSA-N 1 0 337.420 1.880 20 5 EDBDRO COCC(C)(C)[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000425277573 447093559 /nfs/dbraw/zinc/09/35/59/447093559.db2.gz XXOKGQRRMOHDSF-UHFFFAOYSA-N 1 0 339.421 1.851 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(CC(N)=O)CC1 ZINC000421346659 447138476 /nfs/dbraw/zinc/13/84/76/447138476.db2.gz ABHPRMRIDVBZJT-LLVKDONJSA-N 1 0 334.376 1.557 20 5 EDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455891132 447251664 /nfs/dbraw/zinc/25/16/64/447251664.db2.gz YVBXWJLLJNTHGK-NSHDSACASA-N 1 0 339.396 1.118 20 5 EDBDRO COc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000368973247 447236231 /nfs/dbraw/zinc/23/62/31/447236231.db2.gz JEIFWZFEIBMHNP-DETPVDSQSA-N 1 0 349.387 1.568 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000421771483 447245547 /nfs/dbraw/zinc/24/55/47/447245547.db2.gz XAATTXQLRYZFFG-AWEZNQCLSA-N 1 0 348.403 1.281 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000447245673 447269631 /nfs/dbraw/zinc/26/96/31/447269631.db2.gz FGIWVPKAQDEOLL-BDAKNGLRSA-N 1 0 333.797 1.606 20 5 EDBDRO COc1cc(N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000420150922 447640036 /nfs/dbraw/zinc/64/00/36/447640036.db2.gz LPKJOWYVXNOUTP-CYBMUJFWSA-N 1 0 348.403 1.252 20 5 EDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC3(CC[NH2+]3)CC2)c1 ZINC000422554899 447641407 /nfs/dbraw/zinc/64/14/07/447641407.db2.gz NUPSKIWEWQFQJM-UHFFFAOYSA-N 1 0 325.390 1.253 20 5 EDBDRO [NH3+]C[C@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CCO1 ZINC000420236972 447682227 /nfs/dbraw/zinc/68/22/27/447682227.db2.gz JGOHZWYSWYJRSB-HNNXBMFYSA-N 1 0 341.367 1.990 20 5 EDBDRO Cc1ccc(C[NH2+]CC2(N3CCOCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000459719519 447751730 /nfs/dbraw/zinc/75/17/30/447751730.db2.gz TWPTUNOHPAJALO-UHFFFAOYSA-N 1 0 349.431 1.874 20 5 EDBDRO C[C@@H](C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000575975230 447940507 /nfs/dbraw/zinc/94/05/07/447940507.db2.gz FCLAXQWNZKBZAA-LSDHHAIUSA-N 1 0 348.447 1.698 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[N@@H+]1C1CC1 ZINC000530767564 447953234 /nfs/dbraw/zinc/95/32/34/447953234.db2.gz QGENBSLUEMYRHA-MNOVXSKESA-N 1 0 347.371 1.721 20 5 EDBDRO COc1ccc(S(=O)(=O)NCC[N@@H+]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000525307670 447994988 /nfs/dbraw/zinc/99/49/88/447994988.db2.gz FUIXNUGCPOHPRQ-NSHDSACASA-N 1 0 343.405 1.224 20 5 EDBDRO COc1ccc(CC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000525540228 448003676 /nfs/dbraw/zinc/00/36/76/448003676.db2.gz NCJWOUWIXGMGCI-GXTWGEPZSA-N 1 0 335.404 1.945 20 5 EDBDRO CC(C)(C)Oc1cccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000571634124 448183064 /nfs/dbraw/zinc/18/30/64/448183064.db2.gz IRJAVOZZWUZVDB-AWEZNQCLSA-N 1 0 349.391 1.514 20 5 EDBDRO CNc1nccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000557564404 448186811 /nfs/dbraw/zinc/18/68/11/448186811.db2.gz ITKQRRYAOQHPLA-GFCCVEGCSA-N 1 0 349.435 2.272 20 5 EDBDRO CC1([NH3+])CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000591302929 448313672 /nfs/dbraw/zinc/31/36/72/448313672.db2.gz GGISAYZCPNZDQY-UHFFFAOYSA-N 1 0 340.767 1.527 20 5 EDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[N@H+](C)C1 ZINC000492779268 448289952 /nfs/dbraw/zinc/28/99/52/448289952.db2.gz UXMIMCNKLBDVES-HABDOHHLSA-N 1 0 333.388 1.786 20 5 EDBDRO CCS(=O)(=O)CCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591265919 448300352 /nfs/dbraw/zinc/30/03/52/448300352.db2.gz BAFPACFNJHKVEP-UHFFFAOYSA-N 1 0 344.389 1.280 20 5 EDBDRO O=C(NCC[NH2+]C1CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000591359304 448341788 /nfs/dbraw/zinc/34/17/88/448341788.db2.gz OZAMZSHEYCTSCZ-UHFFFAOYSA-N 1 0 333.392 1.178 20 5 EDBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591437691 448362872 /nfs/dbraw/zinc/36/28/72/448362872.db2.gz IMXDLDMCOAPDLD-WCBMZHEXSA-N 1 0 327.182 1.941 20 5 EDBDRO COc1ccc(CC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000577843035 448399414 /nfs/dbraw/zinc/39/94/14/448399414.db2.gz WHXJPSZVMHKHCR-DZGCQCFKSA-N 1 0 333.388 1.699 20 5 EDBDRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)nn1 ZINC000577750423 448378783 /nfs/dbraw/zinc/37/87/83/448378783.db2.gz DBOYSCUGYLBXJQ-LBPRGKRZSA-N 1 0 330.348 1.122 20 5 EDBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000516087038 448381066 /nfs/dbraw/zinc/38/10/66/448381066.db2.gz ZLLXGQIJRATWCB-GFCCVEGCSA-N 1 0 337.424 2.272 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000533809693 448423326 /nfs/dbraw/zinc/42/33/26/448423326.db2.gz LLGKGSWBRARFFU-CQSZACIVSA-N 1 0 330.388 1.836 20 5 EDBDRO C[C@@H]1CC(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000516564430 448439078 /nfs/dbraw/zinc/43/90/78/448439078.db2.gz HCOWBHCGTIXRDZ-LALPHHSUSA-N 1 0 326.397 1.336 20 5 EDBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000572735536 448453609 /nfs/dbraw/zinc/45/36/09/448453609.db2.gz YHFGUVRNBQLPNH-GFCCVEGCSA-N 1 0 343.387 1.822 20 5 EDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000572748136 448455722 /nfs/dbraw/zinc/45/57/22/448455722.db2.gz AVNZPGYSLDWREG-AWEZNQCLSA-N 1 0 336.392 1.709 20 5 EDBDRO CC[C@@H](CN1CCCC1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591742994 448478892 /nfs/dbraw/zinc/47/88/92/448478892.db2.gz QRZOMHOLNGLWMU-LSDHHAIUSA-N 1 0 337.420 1.799 20 5 EDBDRO COc1ccc2c(c1)CC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000591759260 448483650 /nfs/dbraw/zinc/48/36/50/448483650.db2.gz IIGOCZAKKBFUGV-ZBFHGGJFSA-N 1 0 346.387 1.308 20 5 EDBDRO C[S@](=O)C1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000591765324 448486077 /nfs/dbraw/zinc/48/60/77/448486077.db2.gz PYIDYARUYIQNEQ-QFIPXVFZSA-N 1 0 325.390 1.424 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000591727724 448473219 /nfs/dbraw/zinc/47/32/19/448473219.db2.gz VDIWJQXWUBDGNR-CQSZACIVSA-N 1 0 340.376 1.250 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000573111357 448546286 /nfs/dbraw/zinc/54/62/86/448546286.db2.gz APMVSEQLHDYJRU-RYUDHWBXSA-N 1 0 332.360 1.205 20 5 EDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnc(NC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000573385255 448614421 /nfs/dbraw/zinc/61/44/21/448614421.db2.gz SQGYLKADNIRZGS-DGCLKSJQSA-N 1 0 335.408 1.834 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584593441 448582856 /nfs/dbraw/zinc/58/28/56/448582856.db2.gz AJUVITJIVNDXSD-HNNXBMFYSA-N 1 0 339.417 1.667 20 5 EDBDRO CCOC(=O)Cc1ccc(NC[C@](C)(O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000591924987 448584426 /nfs/dbraw/zinc/58/44/26/448584426.db2.gz NNUSPZKEZMWBME-INIZCTEOSA-N 1 0 339.392 1.425 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NCC[N@H+]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000541107620 448667240 /nfs/dbraw/zinc/66/72/40/448667240.db2.gz ZWXQGGIURFSVLQ-GFCCVEGCSA-N 1 0 348.403 1.091 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](CO)CC1CCCC1 ZINC000578770051 448634602 /nfs/dbraw/zinc/63/46/02/448634602.db2.gz JLGWWTUZYUELTB-HUUCEWRRSA-N 1 0 338.404 1.865 20 5 EDBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000592246937 448761438 /nfs/dbraw/zinc/76/14/38/448761438.db2.gz MZABNXLSIZFKFE-GXTWGEPZSA-N 1 0 341.371 1.605 20 5 EDBDRO C[N@H+](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCC1 ZINC000519115795 448743544 /nfs/dbraw/zinc/74/35/44/448743544.db2.gz OEKSXAVQURUNLP-UHFFFAOYSA-N 1 0 335.360 1.928 20 5 EDBDRO COc1cc(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000573912228 448744575 /nfs/dbraw/zinc/74/45/75/448744575.db2.gz XLSZCLMHZVCPMW-SNVBAGLBSA-N 1 0 325.340 1.814 20 5 EDBDRO CCc1ccc(S(=O)(=O)NCC2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000574157108 448804590 /nfs/dbraw/zinc/80/45/90/448804590.db2.gz PKTWYMUXNLYHSA-UHFFFAOYSA-N 1 0 325.390 1.355 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000592381019 448813422 /nfs/dbraw/zinc/81/34/22/448813422.db2.gz ZAQNPGRTVLWKJX-LLVKDONJSA-N 1 0 343.405 1.222 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000579422320 448785412 /nfs/dbraw/zinc/78/54/12/448785412.db2.gz YJYCAWOWNGZQHE-UHFFFAOYSA-N 1 0 330.388 1.967 20 5 EDBDRO CCCOc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000579702358 448856080 /nfs/dbraw/zinc/85/60/80/448856080.db2.gz TUHCEHQRWINASU-CQSZACIVSA-N 1 0 335.364 1.126 20 5 EDBDRO Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000568483906 448876933 /nfs/dbraw/zinc/87/69/33/448876933.db2.gz WWGOTQYCVJIFMC-GFCCVEGCSA-N 1 0 334.376 1.300 20 5 EDBDRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588020932 448858778 /nfs/dbraw/zinc/85/87/78/448858778.db2.gz ZYZGITIUJPTSPF-GFCCVEGCSA-N 1 0 337.424 1.107 20 5 EDBDRO C[C@@H](CCC[NH3+])NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000592554100 448896595 /nfs/dbraw/zinc/89/65/95/448896595.db2.gz CNACENPIMDJQQC-VIFPVBQESA-N 1 0 340.405 1.029 20 5 EDBDRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)NCCc3ccccc3[N+](=O)[O-])c21 ZINC000592539137 448888728 /nfs/dbraw/zinc/88/87/28/448888728.db2.gz VZWCZYPGLOWEJD-ZDUSSCGKSA-N 1 0 343.387 1.600 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000569075860 448956419 /nfs/dbraw/zinc/95/64/19/448956419.db2.gz PEERRFYXQDXQDY-RISCZKNCSA-N 1 0 325.390 1.228 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCOc3c(F)cccc32)c1 ZINC000569111988 448964064 /nfs/dbraw/zinc/96/40/64/448964064.db2.gz HQIHEZLMGWEGRE-RISCZKNCSA-N 1 0 336.323 1.405 20 5 EDBDRO C[C@@H]1C[N@@H+](CCCNc2c(Cl)cncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000589103481 448969637 /nfs/dbraw/zinc/96/96/37/448969637.db2.gz SIPZBZSZAPESIX-PHIMTYICSA-N 1 0 328.800 1.976 20 5 EDBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588860048 448941826 /nfs/dbraw/zinc/94/18/26/448941826.db2.gz BPDZMFIGDIABHJ-STQMWFEESA-N 1 0 344.371 1.357 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000548370391 449033524 /nfs/dbraw/zinc/03/35/24/449033524.db2.gz RDUSBSLCVVPKLY-GFCCVEGCSA-N 1 0 327.406 1.666 20 5 EDBDRO CS[C@@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)C[C@H]1[NH+]1CCCC1 ZINC000548448653 449047212 /nfs/dbraw/zinc/04/72/12/449047212.db2.gz WVROYBVBDSHFEP-VXGBXAGGSA-N 1 0 325.438 1.653 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[C@H]2C1 ZINC000590012026 449096852 /nfs/dbraw/zinc/09/68/52/449096852.db2.gz OATXZNFWFANRCX-OCCSQVGLSA-N 1 0 329.360 1.781 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590012332 449097010 /nfs/dbraw/zinc/09/70/10/449097010.db2.gz RDVYURBWYKIDIO-QMTHXVAHSA-N 1 0 338.795 1.823 20 5 EDBDRO C[NH+](C)C1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593610017 449106649 /nfs/dbraw/zinc/10/66/49/449106649.db2.gz UFNCTXIVJKHGLK-UHFFFAOYSA-N 1 0 328.394 1.141 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC(=O)N(C)CC1 ZINC000595772365 449157169 /nfs/dbraw/zinc/15/71/69/449157169.db2.gz KNAFZKVZZDPRGM-UHFFFAOYSA-N 1 0 334.376 1.396 20 5 EDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000593732670 449167980 /nfs/dbraw/zinc/16/79/80/449167980.db2.gz QQXOYCJBUYOORZ-AWEZNQCLSA-N 1 0 339.367 1.239 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H]1COCCO1 ZINC000595738085 449139955 /nfs/dbraw/zinc/13/99/55/449139955.db2.gz VZGCHRAWIOMRAI-AWEZNQCLSA-N 1 0 337.376 1.579 20 5 EDBDRO Cn1cc(C[NH2+]CC[C@@]2(O)CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593671821 449142191 /nfs/dbraw/zinc/14/21/91/449142191.db2.gz UPLWZNWGFQPDTQ-QGZVFWFLSA-N 1 0 346.387 1.626 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000597925451 449144935 /nfs/dbraw/zinc/14/49/35/449144935.db2.gz PSVGBQHWHAWINH-JTQLQIEISA-N 1 0 335.360 1.926 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000590399210 449147576 /nfs/dbraw/zinc/14/75/76/449147576.db2.gz JBWJYVRTEVVKDJ-IAGOWNOFSA-N 1 0 347.415 1.849 20 5 EDBDRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000590403235 449150013 /nfs/dbraw/zinc/15/00/13/449150013.db2.gz ZVLJTHDRKATFHR-HOTGVXAUSA-N 1 0 349.387 1.295 20 5 EDBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCO)[NH+](C)C ZINC000597993293 449177595 /nfs/dbraw/zinc/17/75/95/449177595.db2.gz QTGSILWYKTVUPY-LLVKDONJSA-N 1 0 341.433 1.749 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c1 ZINC000590602843 449216421 /nfs/dbraw/zinc/21/64/21/449216421.db2.gz YYGHKESAMOYROR-HIFRSBDPSA-N 1 0 331.376 1.427 20 5 EDBDRO Cc1c(CNC(=O)C(=O)NCCC2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000593772343 449189593 /nfs/dbraw/zinc/18/95/93/449189593.db2.gz BXQMIDGKEVCYKY-UHFFFAOYSA-N 1 0 348.403 1.025 20 5 EDBDRO COc1ccc(C[NH2+][C@H]2CCCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000602007140 449272468 /nfs/dbraw/zinc/27/24/68/449272468.db2.gz NCEOOFUQGCDGRQ-LBPRGKRZSA-N 1 0 328.390 1.660 20 5 EDBDRO COCCNC(=O)C1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000611253765 449238711 /nfs/dbraw/zinc/23/87/11/449238711.db2.gz SMYWCLMHOAPWOG-UHFFFAOYSA-N 1 0 335.404 1.878 20 5 EDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000595923072 449255581 /nfs/dbraw/zinc/25/55/81/449255581.db2.gz VKVOHSGEGQULCZ-LLVKDONJSA-N 1 0 344.375 1.237 20 5 EDBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000593882769 449261438 /nfs/dbraw/zinc/26/14/38/449261438.db2.gz INGDRYKKINHGMI-UHFFFAOYSA-N 1 0 335.360 1.881 20 5 EDBDRO C[NH2+]C[C@H](C)NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000595984071 449297595 /nfs/dbraw/zinc/29/75/95/449297595.db2.gz URUMRDNIGUKLLI-ZETCQYMHSA-N 1 0 333.291 1.543 20 5 EDBDRO CC(C)C[N@H+](C)CCCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000593481111 449303581 /nfs/dbraw/zinc/30/35/81/449303581.db2.gz WETGLFNYVCAEEG-UHFFFAOYSA-N 1 0 344.437 1.632 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000600271945 449284149 /nfs/dbraw/zinc/28/41/49/449284149.db2.gz ZTIAXSLBGFWTJO-GFCCVEGCSA-N 1 0 344.371 1.732 20 5 EDBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593552542 449343555 /nfs/dbraw/zinc/34/35/55/449343555.db2.gz RDGDOQGXNHNOFT-GFCCVEGCSA-N 1 0 342.421 1.342 20 5 EDBDRO C[NH+](C)CCCOc1ccc(CNc2ccc(N)c([N+](=O)[O-])n2)cc1 ZINC000596112922 449368205 /nfs/dbraw/zinc/36/82/05/449368205.db2.gz WZWMGEYRLBEDIU-UHFFFAOYSA-N 1 0 345.403 2.515 20 5 EDBDRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000611554487 449334886 /nfs/dbraw/zinc/33/48/86/449334886.db2.gz RUDGFANNPNQVQA-CKYFFXLPSA-N 1 0 336.314 1.815 20 5 EDBDRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000596053399 449338567 /nfs/dbraw/zinc/33/85/67/449338567.db2.gz ZTFIOJREQUSSQZ-RXMQYKEDSA-N 1 0 333.313 1.166 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000598449525 449400065 /nfs/dbraw/zinc/40/00/65/449400065.db2.gz SFRTZJAYAAOVDH-PXAZEXFGSA-N 1 0 344.371 1.871 20 5 EDBDRO CN1CC[NH+](CCC(C)(C)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596195848 449407555 /nfs/dbraw/zinc/40/75/55/449407555.db2.gz JANBJVLMTFKPOG-UHFFFAOYSA-N 1 0 349.435 1.522 20 5 EDBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600535604 449429615 /nfs/dbraw/zinc/42/96/15/449429615.db2.gz QWLZGEWFNDBZCA-LLVKDONJSA-N 1 0 327.768 1.353 20 5 EDBDRO CC[NH+](CC)CC(=O)N[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000600541165 449432749 /nfs/dbraw/zinc/43/27/49/449432749.db2.gz OLJBQKQTORPSGA-INIZCTEOSA-N 1 0 337.376 1.441 20 5 EDBDRO CC(C)[NH+]1CCC(N2CCN(c3ccc(N)c([N+](=O)[O-])n3)CC2)CC1 ZINC000596167984 449393281 /nfs/dbraw/zinc/39/32/81/449393281.db2.gz MQFSAGOYFLPCLS-UHFFFAOYSA-N 1 0 348.451 1.567 20 5 EDBDRO CCc1n[nH]c(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598562475 449467625 /nfs/dbraw/zinc/46/76/25/449467625.db2.gz UPZKMKCPIIZMOG-GFCCVEGCSA-N 1 0 335.408 1.732 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598605052 449488438 /nfs/dbraw/zinc/48/84/38/449488438.db2.gz XQDLSAYKCOBYLE-CYBMUJFWSA-N 1 0 341.433 1.784 20 5 EDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598664569 449526895 /nfs/dbraw/zinc/52/68/95/449526895.db2.gz GMYMCSKXMRLLPB-WDEREUQCSA-N 1 0 335.364 1.102 20 5 EDBDRO COC(=O)c1cc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000598669940 449531817 /nfs/dbraw/zinc/53/18/17/449531817.db2.gz OHDWWMRCKYUWFV-WBMJQRKESA-N 1 0 333.344 1.335 20 5 EDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600750463 449532934 /nfs/dbraw/zinc/53/29/34/449532934.db2.gz WPCPMHNEBIZTSW-AFAVFJNCSA-N 1 0 332.404 1.853 20 5 EDBDRO C[C@](CO)([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000612074404 449553750 /nfs/dbraw/zinc/55/37/50/449553750.db2.gz SJBXQPXHYKKQHU-MAUKXSAKSA-N 1 0 346.383 1.832 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](CN2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000600699985 449501070 /nfs/dbraw/zinc/50/10/70/449501070.db2.gz GMMPQDKJCIUBGR-HYSWKAIVSA-N 1 0 346.387 1.702 20 5 EDBDRO C[C@H]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598633841 449509353 /nfs/dbraw/zinc/50/93/53/449509353.db2.gz CMYFAVKXBLMFAO-GOEBONIOSA-N 1 0 349.431 1.882 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598725899 449564981 /nfs/dbraw/zinc/56/49/81/449564981.db2.gz QGPGZBVGQDJXEJ-YGRLFVJLSA-N 1 0 341.389 1.105 20 5 EDBDRO CCN(CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])S(C)(=O)=O ZINC000594504523 449558806 /nfs/dbraw/zinc/55/88/06/449558806.db2.gz OMYOFWAVQMVGKX-AWEZNQCLSA-N 1 0 341.433 1.843 20 5 EDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594524660 449561333 /nfs/dbraw/zinc/56/13/33/449561333.db2.gz LHTUQPOEUAGSAQ-LLVKDONJSA-N 1 0 334.298 1.668 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc1C ZINC000598720620 449561509 /nfs/dbraw/zinc/56/15/09/449561509.db2.gz PZUGQVAQTPHBDC-DOMZBBRYSA-N 1 0 339.417 1.714 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598722108 449562984 /nfs/dbraw/zinc/56/29/84/449562984.db2.gz ZCMZJHHZMZPQTJ-SMDDNHRTSA-N 1 0 325.390 1.405 20 5 EDBDRO CN(CC1C[NH+](C)C1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000596588128 449563910 /nfs/dbraw/zinc/56/39/10/449563910.db2.gz NTUHFLCBXNPPNN-UHFFFAOYSA-N 1 0 332.364 1.174 20 5 EDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000602527841 449651604 /nfs/dbraw/zinc/65/16/04/449651604.db2.gz MKDLQYADNHNHNU-MRXNPFEDSA-N 1 0 343.387 1.851 20 5 EDBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594753909 449668200 /nfs/dbraw/zinc/66/82/00/449668200.db2.gz WJWURGIXAIOPPK-UHFFFAOYSA-N 1 0 342.421 1.390 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ncccc2[N+](=O)[O-])C[C@@H]1C ZINC000594760791 449674355 /nfs/dbraw/zinc/67/43/55/449674355.db2.gz SYDRWXPJBNKTQG-RYUDHWBXSA-N 1 0 342.421 1.483 20 5 EDBDRO C[C@@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000598902467 449639072 /nfs/dbraw/zinc/63/90/72/449639072.db2.gz NFQXNGLYSIGODM-NEPJUHHUSA-N 1 0 349.391 1.267 20 5 EDBDRO COc1cc(C[NH2+]CCN(C)CC(F)F)c([N+](=O)[O-])cc1OC ZINC000599023448 449702007 /nfs/dbraw/zinc/70/20/07/449702007.db2.gz SMUSZQHYNOBJOV-UHFFFAOYSA-N 1 0 333.335 1.899 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000594800605 449712317 /nfs/dbraw/zinc/71/23/17/449712317.db2.gz HMKURQJGLYZQBQ-NSHDSACASA-N 1 0 327.406 1.746 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000599066062 449715531 /nfs/dbraw/zinc/71/55/31/449715531.db2.gz OYLDSFKKAGNSQO-DFBGVHRSSA-N 1 0 337.376 1.441 20 5 EDBDRO COC(=O)CCNC(=O)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000599088058 449724965 /nfs/dbraw/zinc/72/49/65/449724965.db2.gz IRCWEVRBILOTEX-GFCCVEGCSA-N 1 0 337.376 1.623 20 5 EDBDRO CN1CC[C@H]([NH+]2CCC(Nc3c(F)cccc3[N+](=O)[O-])CC2)C1=O ZINC000601178487 449735196 /nfs/dbraw/zinc/73/51/96/449735196.db2.gz SHFSGXHPMDSEMF-AWEZNQCLSA-N 1 0 336.367 1.841 20 5 EDBDRO COC[C@@H](O)CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602582959 449686776 /nfs/dbraw/zinc/68/67/76/449686776.db2.gz ZKFUKKBIFKOVAE-ZETCQYMHSA-N 1 0 339.211 1.906 20 5 EDBDRO CN1CC[NH+](CC2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000601108807 449693596 /nfs/dbraw/zinc/69/35/96/449693596.db2.gz PQRNRUJZXYMZSQ-UHFFFAOYSA-N 1 0 337.399 1.593 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000599107189 449740178 /nfs/dbraw/zinc/74/01/78/449740178.db2.gz KDNUZSUHNKTZMZ-NWDGAFQWSA-N 1 0 327.406 1.630 20 5 EDBDRO C[C@]12C[NH+](C/C=C\c3ccccc3[N+](=O)[O-])C[C@]1(C)C(=O)NC2=O ZINC000602731256 449772323 /nfs/dbraw/zinc/77/23/23/449772323.db2.gz LZMZNDJWYIHPRM-BJESKFFQSA-N 1 0 329.356 1.593 20 5 EDBDRO CN(C(=O)CN1CCC[C@@H]2C[NH2+]CC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000601334972 449843944 /nfs/dbraw/zinc/84/39/44/449843944.db2.gz PKHXEFOAGWGZBO-CZUORRHYSA-N 1 0 332.404 1.632 20 5 EDBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CN(C)CCO1 ZINC000612616845 449801033 /nfs/dbraw/zinc/80/10/33/449801033.db2.gz OJZHKEBJOVEHDK-RNCFNFMXSA-N 1 0 326.328 1.575 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601351261 449863921 /nfs/dbraw/zinc/86/39/21/449863921.db2.gz BUUGJLFLLNIDFJ-BXUZGUMPSA-N 1 0 325.390 1.357 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000595108740 449872754 /nfs/dbraw/zinc/87/27/54/449872754.db2.gz QPQGOSDCZNJUQA-QWHCGFSZSA-N 1 0 339.417 1.584 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000602864844 449872823 /nfs/dbraw/zinc/87/28/23/449872823.db2.gz KMMBUPPBNFBJSU-KRWDZBQOSA-N 1 0 343.431 1.958 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601359676 449872822 /nfs/dbraw/zinc/87/28/22/449872822.db2.gz LJFUEZOXXXEAIH-LLVKDONJSA-N 1 0 347.462 1.927 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000595108741 449872929 /nfs/dbraw/zinc/87/29/29/449872929.db2.gz QPQGOSDCZNJUQA-STQMWFEESA-N 1 0 339.417 1.584 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000595107980 449872953 /nfs/dbraw/zinc/87/29/53/449872953.db2.gz NUOZXABBUCMLQK-CABZTGNLSA-N 1 0 327.406 1.488 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](CCO)C(C)(C)C1 ZINC000614920169 449874609 /nfs/dbraw/zinc/87/46/09/449874609.db2.gz GCBVAABPPMZWOG-UHFFFAOYSA-N 1 0 337.420 1.882 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC2([NH3+])CCCC2)c(C)cc1[N+](=O)[O-] ZINC000595120858 449881461 /nfs/dbraw/zinc/88/14/61/449881461.db2.gz ZGTBFGVCZIAHSQ-UHFFFAOYSA-N 1 0 327.406 1.761 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601420724 449937336 /nfs/dbraw/zinc/93/73/36/449937336.db2.gz GIVGPKZSCQOWDA-PWSUYJOCSA-N 1 0 345.396 1.755 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000595195132 449937496 /nfs/dbraw/zinc/93/74/96/449937496.db2.gz ZSYCXUSGGUDANH-CYBMUJFWSA-N 1 0 348.403 1.751 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c1 ZINC000601420665 449937684 /nfs/dbraw/zinc/93/76/84/449937684.db2.gz FCHOOJUSKBXODN-STQMWFEESA-N 1 0 341.433 1.925 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000595219896 449955821 /nfs/dbraw/zinc/95/58/21/449955821.db2.gz BDQULASCOFEWFW-HUUCEWRRSA-N 1 0 343.387 1.443 20 5 EDBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000601428969 449949048 /nfs/dbraw/zinc/94/90/48/449949048.db2.gz QAZZVMLWMNNKLL-UHFFFAOYSA-N 1 0 341.433 1.841 20 5 EDBDRO COC(=O)c1cc(NC(=O)NCC23CC(C2)C[NH2+]3)c(C)c([N+](=O)[O-])c1 ZINC000595232011 449961739 /nfs/dbraw/zinc/96/17/39/449961739.db2.gz OAEWZGQPTNXWNA-UHFFFAOYSA-N 1 0 348.359 1.563 20 5 EDBDRO C[C@@H]1CN(CC[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000602962993 449963742 /nfs/dbraw/zinc/96/37/42/449963742.db2.gz QXKRQAVNGVPJFJ-JKIFEVAISA-N 1 0 337.420 1.501 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000609153870 449970162 /nfs/dbraw/zinc/97/01/62/449970162.db2.gz BZIZLEGSTZQBBA-CQSZACIVSA-N 1 0 349.387 1.938 20 5 EDBDRO COc1cc(C[NH+]2CCC(CCO)(CCO)CC2)ccc1[N+](=O)[O-] ZINC000602966950 449970273 /nfs/dbraw/zinc/97/02/73/449970273.db2.gz WZELQUMRBVXLEI-UHFFFAOYSA-N 1 0 338.404 1.950 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC1([NH+](C)C)CC1 ZINC000601449232 449972434 /nfs/dbraw/zinc/97/24/34/449972434.db2.gz XSWPKWITTWWASC-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000615187048 449994895 /nfs/dbraw/zinc/99/48/95/449994895.db2.gz DABYPKJKUPPAJK-GFCCVEGCSA-N 1 0 348.403 1.688 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000595353248 450067245 /nfs/dbraw/zinc/06/72/45/450067245.db2.gz DFVIYFFRKRMITL-GFCCVEGCSA-N 1 0 327.406 1.666 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000595353303 450067900 /nfs/dbraw/zinc/06/79/00/450067900.db2.gz DWDSRIGTZVLUDE-LLVKDONJSA-N 1 0 343.405 1.366 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000595353304 450068088 /nfs/dbraw/zinc/06/80/88/450068088.db2.gz DWDSRIGTZVLUDE-NSHDSACASA-N 1 0 343.405 1.366 20 5 EDBDRO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000609625451 450074938 /nfs/dbraw/zinc/07/49/38/450074938.db2.gz NEHYJYTUDUECQD-ZDUSSCGKSA-N 1 0 343.405 1.117 20 5 EDBDRO COc1ccc(CC(=O)N2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000609594561 450062482 /nfs/dbraw/zinc/06/24/82/450062482.db2.gz NKOXOQZKHIITNF-UHFFFAOYSA-N 1 0 333.388 1.843 20 5 EDBDRO CC[N@H+]1[C@H](C)CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@@H]1C ZINC000603141556 450089318 /nfs/dbraw/zinc/08/93/18/450089318.db2.gz FSPPUCIVYRRDKT-PHIMTYICSA-N 1 0 335.360 1.878 20 5 EDBDRO COC(=O)CCN1CC[C@H]([N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000595474867 450167599 /nfs/dbraw/zinc/16/75/99/450167599.db2.gz GGFQRIFJGWYHNL-HNNXBMFYSA-N 1 0 349.387 1.233 20 5 EDBDRO C[NH+](C)C[C@H](CO)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000597652408 450171901 /nfs/dbraw/zinc/17/19/01/450171901.db2.gz BFJSJYZXNLMTEY-LLVKDONJSA-N 1 0 345.783 1.056 20 5 EDBDRO CS[C@H]1CN(Cc2onc(C)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000595433847 450139834 /nfs/dbraw/zinc/13/98/34/450139834.db2.gz VFQCGXOCNZSZHA-YPMHNXCESA-N 1 0 326.422 1.903 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c1 ZINC000610447426 450222519 /nfs/dbraw/zinc/22/25/19/450222519.db2.gz GVZKXLROYZNCPF-HUUCEWRRSA-N 1 0 327.388 1.860 20 5 EDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC1CS(=O)(=O)C1 ZINC000615761599 450225090 /nfs/dbraw/zinc/22/50/90/450225090.db2.gz QZRWPMDEHMZGNG-LBPRGKRZSA-N 1 0 326.418 1.940 20 5 EDBDRO Cc1sc(S(=O)(=O)N(C)CCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000613476790 450194352 /nfs/dbraw/zinc/19/43/52/450194352.db2.gz LNRGORCMPTUNNB-UHFFFAOYSA-N 1 0 335.451 1.927 20 5 EDBDRO O=C(CC[N@@H+]1CC[C@@H](Cn2ccnn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595605722 450258445 /nfs/dbraw/zinc/25/84/45/450258445.db2.gz FMWHAJRUJLPTHN-CYBMUJFWSA-N 1 0 344.375 1.537 20 5 EDBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000610577017 450265866 /nfs/dbraw/zinc/26/58/66/450265866.db2.gz VTZOEYGATSSYLE-AWEZNQCLSA-N 1 0 341.433 1.889 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000618924095 450342361 /nfs/dbraw/zinc/34/23/61/450342361.db2.gz QUZSYILIADYCEC-HNNXBMFYSA-N 1 0 341.795 1.777 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000619871769 450349119 /nfs/dbraw/zinc/34/91/19/450349119.db2.gz XVINVAIDCXXLAR-ZDUSSCGKSA-N 1 0 348.403 1.504 20 5 EDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000619874089 450349388 /nfs/dbraw/zinc/34/93/88/450349388.db2.gz YPLPEBIGRHNNIK-INIZCTEOSA-N 1 0 332.404 1.034 20 5 EDBDRO O=C(C[NH2+][C@@H]1CCO[C@H]1C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000372797874 486883155 /nfs/dbraw/zinc/88/31/55/486883155.db2.gz DUSJKOZFDXJDNC-HWPZZCPQSA-N 1 0 349.343 1.419 20 5 EDBDRO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000188012534 533729451 /nfs/dbraw/zinc/72/94/51/533729451.db2.gz VLXWHGCIMJBCLO-SCLBCKFNSA-N 1 0 347.415 1.967 20 5 EDBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000370614004 523397959 /nfs/dbraw/zinc/39/79/59/523397959.db2.gz JFPCKWLIVLJMRU-OWCLPIDISA-N 1 0 332.404 1.560 20 5 EDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000247669779 536473291 /nfs/dbraw/zinc/47/32/91/536473291.db2.gz ZFWHBYMYIWHWFY-SWLSCSKDSA-N 1 0 339.417 1.700 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000183986931 528544412 /nfs/dbraw/zinc/54/44/12/528544412.db2.gz ULDBXBJWMQWITI-LBPRGKRZSA-N 1 0 341.433 1.506 20 5 EDBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000347876854 535549813 /nfs/dbraw/zinc/54/98/13/535549813.db2.gz PBSGAIRDMXPQEJ-CYBMUJFWSA-N 1 0 348.407 1.575 20 5 EDBDRO C[NH+](C)C(C)(C)CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000350078535 536110139 /nfs/dbraw/zinc/11/01/39/536110139.db2.gz PJIIICQIDHVEST-UHFFFAOYSA-N 1 0 337.376 1.365 20 5 EDBDRO C[NH+]1CCC(CC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000347516965 536335791 /nfs/dbraw/zinc/33/57/91/536335791.db2.gz HRZQXXFRVCSYHI-UHFFFAOYSA-N 1 0 346.431 1.975 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C[NH3+])CC(C)C ZINC000237206085 536957260 /nfs/dbraw/zinc/95/72/60/536957260.db2.gz OROLWVBUXQYXGP-JTQLQIEISA-N 1 0 331.394 1.255 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000743399861 579479110 /nfs/dbraw/zinc/47/91/10/579479110.db2.gz NZNAXGHNZNZEHG-SNVBAGLBSA-N 1 0 346.229 1.785 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000727703379 578537865 /nfs/dbraw/zinc/53/78/65/578537865.db2.gz OXADHSQWWAJYDL-CQSZACIVSA-N 1 0 338.433 1.992 20 5 EDBDRO CN(CC[NH+]1CCCC1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000728551014 578548804 /nfs/dbraw/zinc/54/88/04/578548804.db2.gz UIUCJDQKOTYFKA-UHFFFAOYSA-N 1 0 325.340 1.667 20 5 EDBDRO CCCN(CC[NH+](C)C)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000731632487 578677527 /nfs/dbraw/zinc/67/75/27/578677527.db2.gz IEEFOGPOVYZMBY-UHFFFAOYSA-N 1 0 337.376 1.586 20 5 EDBDRO CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000732159945 578695173 /nfs/dbraw/zinc/69/51/73/578695173.db2.gz LLWCRWWMDATBCF-CQSZACIVSA-N 1 0 334.332 1.669 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+](CCO)CC2)c(OC(F)F)c1 ZINC000760526847 580032847 /nfs/dbraw/zinc/03/28/47/580032847.db2.gz YERRRZDSLWGNOZ-UHFFFAOYSA-N 1 0 331.319 1.701 20 5 EDBDRO CC(C)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000735883043 578932723 /nfs/dbraw/zinc/93/27/23/578932723.db2.gz VLASYGORPDYMIS-UHFFFAOYSA-N 1 0 331.380 1.695 20 5 EDBDRO C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000761077376 580046948 /nfs/dbraw/zinc/04/69/48/580046948.db2.gz RTLLZWRZOWPTHO-SNVBAGLBSA-N 1 0 326.784 1.823 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000748843415 579703585 /nfs/dbraw/zinc/70/35/85/579703585.db2.gz BSCABEUMASAGGG-ZDUSSCGKSA-N 1 0 345.403 1.791 20 5 EDBDRO Cc1nn(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749799287 579740141 /nfs/dbraw/zinc/74/01/41/579740141.db2.gz WFDVEZVSHXOMRG-QWHCGFSZSA-N 1 0 331.376 1.964 20 5 EDBDRO CS(=O)(=O)N1CC(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000778209994 580458639 /nfs/dbraw/zinc/45/86/39/580458639.db2.gz CBKYJDDGNNXCRZ-UHFFFAOYSA-N 1 0 333.797 1.229 20 5 EDBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CC1 ZINC000763482777 580100796 /nfs/dbraw/zinc/10/07/96/580100796.db2.gz AVNNSAIGJRZGGM-UHFFFAOYSA-N 1 0 344.375 1.712 20 5 EDBDRO C[NH+]1CCC(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000778253209 580460029 /nfs/dbraw/zinc/46/00/29/580460029.db2.gz FFKKGXMIESPFSI-UHFFFAOYSA-N 1 0 335.389 1.671 20 5 EDBDRO CC(=O)N1CCC([NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000768164367 580208081 /nfs/dbraw/zinc/20/80/81/580208081.db2.gz ZCGSTDAKJNCAGL-UHFFFAOYSA-N 1 0 332.404 1.728 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000778939605 580476037 /nfs/dbraw/zinc/47/60/37/580476037.db2.gz VWEMTESMMGKNOW-ZDUSSCGKSA-N 1 0 335.404 1.785 20 5 EDBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000786783882 580679087 /nfs/dbraw/zinc/67/90/87/580679087.db2.gz XKXQFFRIRWVBLG-GFCCVEGCSA-N 1 0 341.433 1.965 20 5 EDBDRO C[NH+](C)Cc1ccc(S(=O)(=O)Oc2cccnc2[N+](=O)[O-])cc1 ZINC000788579776 580725016 /nfs/dbraw/zinc/72/50/16/580725016.db2.gz HDJVRHSWWXQLRT-UHFFFAOYSA-N 1 0 337.357 1.819 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]CCc2ccnn2C)cc1[N+](=O)[O-] ZINC000788967982 580733867 /nfs/dbraw/zinc/73/38/67/580733867.db2.gz VAGJYYOLVKJEBM-UHFFFAOYSA-N 1 0 348.359 1.212 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NCC[N@H+]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000790877490 580780430 /nfs/dbraw/zinc/78/04/30/580780430.db2.gz ROYJYETVPFIQKS-ZDUSSCGKSA-N 1 0 341.433 1.974 20 5 EDBDRO C[NH+](C)CCCOC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000792109934 580810465 /nfs/dbraw/zinc/81/04/65/580810465.db2.gz GSELAEZRMVSJEY-UHFFFAOYSA-N 1 0 337.376 1.540 20 5 EDBDRO COC(=O)[C@H]1[C@@H]2C[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21 ZINC000794983638 580909921 /nfs/dbraw/zinc/90/99/21/580909921.db2.gz MRDJNGVVIGPGEW-BARDWOONSA-N 1 0 345.355 1.051 20 5 EDBDRO C[NH+]1CCC2(CCCN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000799028187 581014591 /nfs/dbraw/zinc/01/45/91/581014591.db2.gz BBXBGSPAWRFVNU-UHFFFAOYSA-N 1 0 349.435 1.861 20 5 EDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891723117 591198716 /nfs/dbraw/zinc/19/87/16/591198716.db2.gz OISZRWHGVUODMZ-QDMKHBRRSA-N 1 0 332.404 1.967 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](O)Cc3ccc(F)cc3)C2)c1 ZINC000895752814 591266058 /nfs/dbraw/zinc/26/60/58/591266058.db2.gz LZQHAXPCIVYBMP-ZBCRRDGASA-N 1 0 334.351 1.827 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000895809569 591274457 /nfs/dbraw/zinc/27/44/57/591274457.db2.gz LKKGGNLYGZVJNY-UHFFFAOYSA-N 1 0 349.387 1.330 20 5 EDBDRO C[C@@H](CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[N@H+](C)C1CC1 ZINC000727742090 591319920 /nfs/dbraw/zinc/31/99/20/591319920.db2.gz DYKVORUGLVFCJD-NSHDSACASA-N 1 0 331.376 1.543 20 5 EDBDRO CCO[C@H](CNc1c(Br)cncc1[N+](=O)[O-])C[NH+](C)C ZINC000896114896 591348933 /nfs/dbraw/zinc/34/89/33/591348933.db2.gz GGRPMVOVHJIETN-SECBINFHSA-N 1 0 347.213 1.553 20 5 EDBDRO CCO[C@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])C[NH+](C)C ZINC000896116987 591349362 /nfs/dbraw/zinc/34/93/62/591349362.db2.gz JGOWWZLHSJYVKX-GFCCVEGCSA-N 1 0 348.403 1.825 20 5 EDBDRO CN(C)Cc1csc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)n1 ZINC000896310012 591411721 /nfs/dbraw/zinc/41/17/21/591411721.db2.gz ZKDFGWCZRXOAAH-UHFFFAOYSA-N 1 0 336.421 1.803 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(NC[C@H]3CC[N@@H+]3C3CCOCC3)nn21 ZINC000896521183 591490510 /nfs/dbraw/zinc/49/05/10/591490510.db2.gz HYPUNJXHJMOCNO-GFCCVEGCSA-N 1 0 332.364 1.303 20 5 EDBDRO C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1C[N@H+](C)CCN1C ZINC000896570871 591532045 /nfs/dbraw/zinc/53/20/45/591532045.db2.gz FWDAMOVDYXDJJP-ZBEGNZNMSA-N 1 0 345.403 1.440 20 5 EDBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000897220212 591775372 /nfs/dbraw/zinc/77/53/72/591775372.db2.gz UUFWYATYCFTCRP-SJORKVTESA-N 1 0 333.388 1.833 20 5 EDBDRO CC[NH+]1CCC(NC(=O)COc2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000902454980 591999568 /nfs/dbraw/zinc/99/95/68/591999568.db2.gz HPPHUOCQIYFFDJ-UHFFFAOYSA-N 1 0 337.376 1.583 20 5 EDBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000900393963 592005636 /nfs/dbraw/zinc/00/56/36/592005636.db2.gz DTXVKOQZRRGDTJ-JKSUJKDBSA-N 1 0 346.431 1.473 20 5 EDBDRO COC[C@@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])cc1Br ZINC000900451681 592021229 /nfs/dbraw/zinc/02/12/29/592021229.db2.gz VSGPFPGSSKBXDL-JTQLQIEISA-N 1 0 330.182 1.782 20 5 EDBDRO CC(C)[NH+]1CCN(CCC(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000900772283 592119835 /nfs/dbraw/zinc/11/98/35/592119835.db2.gz WOTIQFMQWRURFC-UHFFFAOYSA-N 1 0 346.431 1.900 20 5 EDBDRO CCC[C@@H]([NH2+]C[C@]1(CO)COCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000903285704 592148836 /nfs/dbraw/zinc/14/88/36/592148836.db2.gz RQCWDTMSPOAQNW-SJORKVTESA-N 1 0 337.420 1.719 20 5 EDBDRO C[N@@H+]1C[C@@H]2CN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C[C@]2(C)C1 ZINC000904437864 592254141 /nfs/dbraw/zinc/25/41/41/592254141.db2.gz VOHPXSLEEULVDH-PBHICJAKSA-N 1 0 342.403 1.694 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000906690977 592290847 /nfs/dbraw/zinc/29/08/47/592290847.db2.gz CCRDJPFAEVJJQM-VIFPVBQESA-N 1 0 326.784 1.854 20 5 EDBDRO [NH3+][C@]1(CO)CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000903788247 592322809 /nfs/dbraw/zinc/32/28/09/592322809.db2.gz HBLOVBPYMNNEJR-CYBMUJFWSA-N 1 0 344.209 1.643 20 5 EDBDRO [NH3+][C@@]1(CO)CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000903788248 592322840 /nfs/dbraw/zinc/32/28/40/592322840.db2.gz HBLOVBPYMNNEJR-ZDUSSCGKSA-N 1 0 344.209 1.643 20 5 EDBDRO COCC[C@H]1C[NH2+]CCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000903836225 592338837 /nfs/dbraw/zinc/33/88/37/592338837.db2.gz HJMGICXVTOQFTL-ZDUSSCGKSA-N 1 0 339.392 1.293 20 5 EDBDRO CN(CCc1cccc([N+](=O)[O-])c1)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903916298 592389006 /nfs/dbraw/zinc/38/90/06/592389006.db2.gz GSPYNYBNMRJROV-INIZCTEOSA-N 1 0 344.419 1.785 20 5 EDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000908414089 592486601 /nfs/dbraw/zinc/48/66/01/592486601.db2.gz JXIXFTVVYIYFNL-YPMHNXCESA-N 1 0 349.387 1.921 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@]23CCC[C@H]2OCC3)c1 ZINC000905569179 592568911 /nfs/dbraw/zinc/56/89/11/592568911.db2.gz VHJGEABJHHABEA-DJIMGWMZSA-N 1 0 336.388 1.883 20 5 EDBDRO Cc1cc(F)c(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(F)c1 ZINC000905617212 592595705 /nfs/dbraw/zinc/59/57/05/592595705.db2.gz OJWHNLIKYFXOAN-NSHDSACASA-N 1 0 326.303 1.529 20 5 EDBDRO C[C@@H](C[NH2+]C[C@@H](O)COC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000905644899 592603436 /nfs/dbraw/zinc/60/34/36/592603436.db2.gz TWMQWXLREIJKGF-UONOGXRCSA-N 1 0 338.404 1.844 20 5 EDBDRO Cc1nn(C)c(NCc2ccc(CN3CC[NH2+]CC3)cc2)c1[N+](=O)[O-] ZINC000905703445 592616258 /nfs/dbraw/zinc/61/62/58/592616258.db2.gz KBPGSNMUPXLUSH-UHFFFAOYSA-N 1 0 344.419 1.654 20 5 EDBDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000908969384 592686076 /nfs/dbraw/zinc/68/60/76/592686076.db2.gz TTZFEVRCBLRYEP-LESCRADOSA-N 1 0 347.415 1.756 20 5 EDBDRO O=C(NCC[N@H+]1CC=CCC1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000907885688 592829647 /nfs/dbraw/zinc/82/96/47/592829647.db2.gz MZUJAVVHMRDOJH-UHFFFAOYSA-N 1 0 347.371 1.748 20 5 EDBDRO CN(CC[NH+]1CCCC1)C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906559146 592844700 /nfs/dbraw/zinc/84/47/00/592844700.db2.gz VEZYPYWIGOJSPB-UHFFFAOYSA-N 1 0 349.387 1.924 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)C1 ZINC000911774123 593002454 /nfs/dbraw/zinc/00/24/54/593002454.db2.gz IPRCPKWTAWRKFT-AWEZNQCLSA-N 1 0 343.387 1.521 20 5 EDBDRO C[NH2+]CC1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC1 ZINC000911778313 593003348 /nfs/dbraw/zinc/00/33/48/593003348.db2.gz QSZUBSOTBWPOJE-UHFFFAOYSA-N 1 0 349.387 1.828 20 5 EDBDRO COc1ccc(C(=O)N(CCO)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000911937061 593039683 /nfs/dbraw/zinc/03/96/83/593039683.db2.gz IJAUAFYLTGTCLO-UHFFFAOYSA-N 1 0 337.376 1.132 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(Cn3c(=O)oc4cccc([N+](=O)[O-])c43)CC[C@H]21 ZINC000794635236 593184181 /nfs/dbraw/zinc/18/41/81/593184181.db2.gz VANWPYQZSURQBD-CHWSQXEVSA-N 1 0 346.387 1.876 20 5 EDBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000808160107 593231072 /nfs/dbraw/zinc/23/10/72/593231072.db2.gz NBZGUOYJPMTLQJ-RYUDHWBXSA-N 1 0 339.779 1.529 20 5 EDBDRO CC[N@H+](C[C@@H]1CCOC1)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839997574 593321169 /nfs/dbraw/zinc/32/11/69/593321169.db2.gz FGXIOHGIRAQZES-SUMWQHHRSA-N 1 0 349.387 1.848 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840001912 593330837 /nfs/dbraw/zinc/33/08/37/593330837.db2.gz FHHPCMWOEFFUKY-PBHICJAKSA-N 1 0 348.403 1.516 20 5 EDBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839707118 593372073 /nfs/dbraw/zinc/37/20/73/593372073.db2.gz SHZOLVDKJNLMJU-GHMZBOCLSA-N 1 0 325.331 1.774 20 5 EDBDRO CS[C@@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000804579559 593425788 /nfs/dbraw/zinc/42/57/88/593425788.db2.gz XUOOTPKUKIGBTP-NWDGAFQWSA-N 1 0 326.378 1.985 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@@H](C)C[NH+](C)C ZINC000813613995 593543544 /nfs/dbraw/zinc/54/35/44/593543544.db2.gz HQIIJOKTGCLNQR-SECBINFHSA-N 1 0 340.336 1.899 20 5 EDBDRO [NH3+]C[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000818002330 593655913 /nfs/dbraw/zinc/65/59/13/593655913.db2.gz WVFZTWQAQAWTDA-CQSZACIVSA-N 1 0 331.376 1.578 20 5 EDBDRO COC[C@@]1(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000818589943 593706130 /nfs/dbraw/zinc/70/61/30/593706130.db2.gz NGKYUIDYQUFUTG-AWEZNQCLSA-N 1 0 338.320 1.001 20 5 EDBDRO CS(=O)(=O)CC1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819130628 593740648 /nfs/dbraw/zinc/74/06/48/593740648.db2.gz CZEKJTDPSAYDDT-ZDUSSCGKSA-N 1 0 328.390 1.043 20 5 EDBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)c1ccco1 ZINC000821581562 593868008 /nfs/dbraw/zinc/86/80/08/593868008.db2.gz OXYACMVOAUVHKQ-NSHDSACASA-N 1 0 344.335 1.478 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000820752789 593881191 /nfs/dbraw/zinc/88/11/91/593881191.db2.gz RTODZHQDJHRBRJ-NOZJJQNGSA-N 1 0 329.364 1.670 20 5 EDBDRO C[NH+]1CCC(N(CCO)C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000824157852 593940608 /nfs/dbraw/zinc/94/06/08/593940608.db2.gz KHCAGWJPXZRHDL-DLBZAZTESA-N 1 0 347.415 1.613 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821165787 593981205 /nfs/dbraw/zinc/98/12/05/593981205.db2.gz WAQLJUPUOIAYIT-NSHDSACASA-N 1 0 331.380 1.553 20 5 EDBDRO C[C@@H]1CN(CCNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000824950501 594103188 /nfs/dbraw/zinc/10/31/88/594103188.db2.gz OXZSDYWIRMLSMK-NSNWQYSKSA-N 1 0 347.415 1.924 20 5 EDBDRO Cc1c(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000825197174 594146258 /nfs/dbraw/zinc/14/62/58/594146258.db2.gz UFLPTGRVKYTETC-MNOVXSKESA-N 1 0 336.348 1.977 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000823264469 594177687 /nfs/dbraw/zinc/17/76/87/594177687.db2.gz XUJHWPFIIADZPU-AWEZNQCLSA-N 1 0 335.404 1.788 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000829791715 594265368 /nfs/dbraw/zinc/26/53/68/594265368.db2.gz IYLRNYIKLRQFMP-LBPRGKRZSA-N 1 0 344.375 1.232 20 5 EDBDRO C[NH+](C)CCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000825886275 594268809 /nfs/dbraw/zinc/26/88/09/594268809.db2.gz DPKNZTMHTUVYMP-INIZCTEOSA-N 1 0 335.404 1.961 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)n1 ZINC000826669142 594550834 /nfs/dbraw/zinc/55/08/34/594550834.db2.gz ZGGQOFNKILMZBK-ZDUSSCGKSA-N 1 0 335.408 1.855 20 5 EDBDRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000829246707 594587248 /nfs/dbraw/zinc/58/72/48/594587248.db2.gz ADKYCBLFMCCGNO-UHFFFAOYSA-N 1 0 349.387 1.485 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000827321847 594661089 /nfs/dbraw/zinc/66/10/89/594661089.db2.gz WKNNWQRMANVZHA-KGLIPLIRSA-N 1 0 347.371 1.339 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000827340349 594662662 /nfs/dbraw/zinc/66/26/62/594662662.db2.gz ZGMHXGPZBMDIOZ-ZIAGYGMSSA-N 1 0 333.388 1.916 20 5 EDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827367361 594665390 /nfs/dbraw/zinc/66/53/90/594665390.db2.gz UTHLPYUBHAACOI-IUODEOHRSA-N 1 0 332.404 1.827 20 5 EDBDRO Cc1cc(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000827473353 594675456 /nfs/dbraw/zinc/67/54/56/594675456.db2.gz IHTOUKRKTOQHBN-UHFFFAOYSA-N 1 0 346.431 1.755 20 5 EDBDRO CCO[C@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000831756128 594699722 /nfs/dbraw/zinc/69/97/22/594699722.db2.gz BNMWCDWMSVOGHL-GFCCVEGCSA-N 1 0 325.365 1.300 20 5 EDBDRO C[C@H]([NH3+])C1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000832603243 594763268 /nfs/dbraw/zinc/76/32/68/594763268.db2.gz FMJTYXUIFXISQR-NSHDSACASA-N 1 0 331.376 1.530 20 5 EDBDRO C[C@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000833426860 594846320 /nfs/dbraw/zinc/84/63/20/594846320.db2.gz RNZFHSFXYDMLLW-DYVFJYSZSA-N 1 0 347.415 1.961 20 5 EDBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000841143862 594858244 /nfs/dbraw/zinc/85/82/44/594858244.db2.gz QZGMDDVTHWGUSN-LLVKDONJSA-N 1 0 348.403 1.781 20 5 EDBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000841147731 594858674 /nfs/dbraw/zinc/85/86/74/594858674.db2.gz NDLGNIJLDDPWHO-SNVBAGLBSA-N 1 0 334.376 1.390 20 5 EDBDRO CC[NH2+]CCCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841153070 594859453 /nfs/dbraw/zinc/85/94/53/594859453.db2.gz PZBLUKWRLKHSIF-UHFFFAOYSA-N 1 0 328.756 1.303 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000841176507 594864085 /nfs/dbraw/zinc/86/40/85/594864085.db2.gz BLODAEQZYQXZIO-SNVBAGLBSA-N 1 0 340.355 1.470 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCO1 ZINC000841233318 594873867 /nfs/dbraw/zinc/87/38/67/594873867.db2.gz QSNWLYGNCXQIFF-GZMMTYOYSA-N 1 0 328.756 1.828 20 5 EDBDRO CC[NH2+][C@H](C)CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841983696 594995144 /nfs/dbraw/zinc/99/51/44/594995144.db2.gz FTPOJTACLIBCDO-CYBMUJFWSA-N 1 0 335.408 1.424 20 5 EDBDRO Cc1cc(Cl)c(C(=O)NC[C@](C)(O)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000842251843 595055823 /nfs/dbraw/zinc/05/58/23/595055823.db2.gz RPNGTYOBZIGIKO-OAHLLOKOSA-N 1 0 343.811 1.989 20 5 EDBDRO O=C(CCN1CC[C@@H]2[NH2+]CC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000843386437 595096643 /nfs/dbraw/zinc/09/66/43/595096643.db2.gz IWJQKWJYDOWODR-RISCZKNCSA-N 1 0 336.367 1.746 20 5 EDBDRO Nc1ccc(C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000842510503 595123172 /nfs/dbraw/zinc/12/31/72/595123172.db2.gz SKHUERMZVBLNSM-CJNGLKHVSA-N 1 0 348.403 1.536 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+])c(C)c1[N+](=O)[O-] ZINC000842882767 595224094 /nfs/dbraw/zinc/22/40/94/595224094.db2.gz SXAAPJWTHLQQNB-IUCAKERBSA-N 1 0 346.365 1.134 20 5 EDBDRO Cc1cc(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(N)c([N+](=O)[O-])c1 ZINC000834854277 595231462 /nfs/dbraw/zinc/23/14/62/595231462.db2.gz UOWIBXCCUCAVGL-GFCCVEGCSA-N 1 0 348.403 1.313 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000106363978 595254248 /nfs/dbraw/zinc/25/42/48/595254248.db2.gz SRPIIYHVVIVUJX-NSHDSACASA-N 1 0 325.340 1.665 20 5 EDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000844040480 595254804 /nfs/dbraw/zinc/25/48/04/595254804.db2.gz NFMQEAKRDRMKAL-OYVUYXNMSA-N 1 0 346.387 1.186 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCCc3c2cnn3CCO)c1 ZINC000843066309 595279174 /nfs/dbraw/zinc/27/91/74/595279174.db2.gz UTCOUWUZAXVLFV-RDJZCZTQSA-N 1 0 346.387 1.484 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC2([NH+](C)C)CC2)c1 ZINC000867439594 595322911 /nfs/dbraw/zinc/32/29/11/595322911.db2.gz WPIQJVBXJNEGOI-UHFFFAOYSA-N 1 0 347.824 1.929 20 5 EDBDRO Cc1c(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000847183225 595373232 /nfs/dbraw/zinc/37/32/32/595373232.db2.gz FLGBBDMFKVGFNA-PHIMTYICSA-N 1 0 336.348 1.881 20 5 EDBDRO C[NH+](C)CCOCCNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848586035 595410405 /nfs/dbraw/zinc/41/04/05/595410405.db2.gz GSTKCMDPZZWTCU-UHFFFAOYSA-N 1 0 347.318 1.261 20 5 EDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000845344371 595482420 /nfs/dbraw/zinc/48/24/20/595482420.db2.gz VWQIJADOFCMVHZ-KGLIPLIRSA-N 1 0 337.351 1.256 20 5 EDBDRO COCC[NH+]1CCC(OC(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000847885169 595496500 /nfs/dbraw/zinc/49/65/00/595496500.db2.gz KDCUKSYCNUOBKI-UHFFFAOYSA-N 1 0 338.360 1.871 20 5 EDBDRO C[C@H](CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[NH+](C)C ZINC000850596466 595544490 /nfs/dbraw/zinc/54/44/90/595544490.db2.gz QCTMQVBPPDHEEQ-SECBINFHSA-N 1 0 342.783 1.643 20 5 EDBDRO C[C@@]1(C[NH3+])CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857768517 595601504 /nfs/dbraw/zinc/60/15/04/595601504.db2.gz SRUKWIACFSVBSF-ZDUSSCGKSA-N 1 0 329.303 1.764 20 5 EDBDRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000850831341 595646702 /nfs/dbraw/zinc/64/67/02/595646702.db2.gz XZYUNYHQWCPFPS-UHFFFAOYSA-N 1 0 328.756 1.382 20 5 EDBDRO CNc1ccc(C(=O)OC[C@@]2(C)C[C@H](OC)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC000861340532 595948393 /nfs/dbraw/zinc/94/83/93/595948393.db2.gz INIRHXPLXNCHNE-BLLLJJGKSA-N 1 0 337.376 1.903 20 5 EDBDRO COc1c(C(=O)OC[C@@]2(C)C[C@H](OC)C[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000861350581 595957282 /nfs/dbraw/zinc/95/72/82/595957282.db2.gz DSTXPUNUVINEIL-MEDUHNTESA-N 1 0 338.360 1.869 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)OCC12CCC[NH+](CCC1)C2 ZINC000861358961 595961814 /nfs/dbraw/zinc/96/18/14/595961814.db2.gz PLYRWPCHPVOXHO-UHFFFAOYSA-N 1 0 336.392 1.909 20 5 EDBDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCCOC1 ZINC000851947491 595981361 /nfs/dbraw/zinc/98/13/61/595981361.db2.gz TUQMXVHVIKLKBD-HNNXBMFYSA-N 1 0 326.324 1.936 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000861525372 596014372 /nfs/dbraw/zinc/01/43/72/596014372.db2.gz VHXXDJXRIMPIAV-PSASIEDQSA-N 1 0 338.339 1.238 20 5 EDBDRO CC1(N2CCOCC2)CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000859775936 596194472 /nfs/dbraw/zinc/19/44/72/596194472.db2.gz MERDBHWDDDYUOV-KRWDZBQOSA-N 1 0 349.431 1.815 20 5 EDBDRO CC1(N2CCOCC2)CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000859777740 596194992 /nfs/dbraw/zinc/19/49/92/596194992.db2.gz XBVBHDAWGZRPKN-QGZVFWFLSA-N 1 0 349.431 1.815 20 5 EDBDRO CN(CC1CC[NH+](C)CC1)C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000870881602 596388164 /nfs/dbraw/zinc/38/81/64/596388164.db2.gz CAFNMUJNJRCOEF-QGZVFWFLSA-N 1 0 334.420 1.569 20 5 EDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000870895134 596394009 /nfs/dbraw/zinc/39/40/09/596394009.db2.gz WNJGXTKFNZBWQK-KBXCAEBGSA-N 1 0 348.447 1.959 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+][C@H](C(C)C)C2)cc1F ZINC000867541280 596423087 /nfs/dbraw/zinc/42/30/87/596423087.db2.gz WVYNYGJWPKDFFV-LBPRGKRZSA-N 1 0 345.396 1.661 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000867811642 596563454 /nfs/dbraw/zinc/56/34/54/596563454.db2.gz FDFVSDFMAMWTIR-TZMCWYRMSA-N 1 0 339.417 1.451 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867814254 596566529 /nfs/dbraw/zinc/56/65/29/596566529.db2.gz MJZDLDJZVHDMIZ-STQMWFEESA-N 1 0 339.417 1.618 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000868081359 596679069 /nfs/dbraw/zinc/67/90/69/596679069.db2.gz UQWSANSQPCOGGJ-UONOGXRCSA-N 1 0 348.403 1.839 20 5 EDBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000868138107 596698835 /nfs/dbraw/zinc/69/88/35/596698835.db2.gz FBIGWWPDZWRMEG-IUCAKERBSA-N 1 0 341.165 1.935 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)CC[C@@H]21 ZINC000866208232 596827867 /nfs/dbraw/zinc/82/78/67/596827867.db2.gz LJFNMOOSGOLKLZ-HZMBPMFUSA-N 1 0 329.360 1.774 20 5 EDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000866220122 596831946 /nfs/dbraw/zinc/83/19/46/596831946.db2.gz DCLDKCUWRDFLGV-MNOVXSKESA-N 1 0 330.381 1.689 20 5 EDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000874844431 597196955 /nfs/dbraw/zinc/19/69/55/597196955.db2.gz RYTMDTGOSSSGGA-CABCVRRESA-N 1 0 337.351 1.808 20 5 EDBDRO Cc1ccc(NCCCNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000876676112 597283833 /nfs/dbraw/zinc/28/38/33/597283833.db2.gz LHXTWLIPOKPMOV-IUODEOHRSA-N 1 0 338.383 1.769 20 5 EDBDRO CC(C)CN1CCO[C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000876880669 597367966 /nfs/dbraw/zinc/36/79/66/597367966.db2.gz LSJJCBBHODARGL-XUJLQICISA-N 1 0 337.424 1.441 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877169051 597450550 /nfs/dbraw/zinc/45/05/50/597450550.db2.gz DUPIFHZMMTWXKF-BETUJISGSA-N 1 0 330.388 1.771 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000877357285 597500073 /nfs/dbraw/zinc/50/00/73/597500073.db2.gz WRLCZWRRUXHLGS-HTQZYQBOSA-N 1 0 335.257 1.943 20 5 EDBDRO COc1cccc(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000877359647 597500907 /nfs/dbraw/zinc/50/09/07/597500907.db2.gz HTNHRNNPEBBVIZ-WCBMZHEXSA-N 1 0 347.293 1.813 20 5 EDBDRO NC(=O)[C@@H](C1CC1)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000879491583 597606130 /nfs/dbraw/zinc/60/61/30/597606130.db2.gz JOCROILKMLSHGL-MRXNPFEDSA-N 1 0 333.388 1.950 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879574416 597637261 /nfs/dbraw/zinc/63/72/61/597637261.db2.gz CIGPLZGTQNZUQK-IUODEOHRSA-N 1 0 348.403 1.568 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879575778 597639182 /nfs/dbraw/zinc/63/91/82/597639182.db2.gz OVVBMZDGWFNTHX-HIFRSBDPSA-N 1 0 332.404 1.949 20 5 EDBDRO O=C1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CN1CC1CC1 ZINC000883394457 597730591 /nfs/dbraw/zinc/73/05/91/597730591.db2.gz AMIQHNUXZFNLLX-ZNMIVQPWSA-N 1 0 347.419 1.876 20 5 EDBDRO COc1cccc([C@H]2C[NH2+]CCN2Cc2cn(C)nc2[N+](=O)[O-])c1 ZINC000883454454 597754037 /nfs/dbraw/zinc/75/40/37/597754037.db2.gz BPQKKBADXHLULS-OAHLLOKOSA-N 1 0 331.376 1.483 20 5 EDBDRO CC(C)(O)[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000880146116 597856954 /nfs/dbraw/zinc/85/69/54/597856954.db2.gz KQBQKTPQSJDTPH-IUODEOHRSA-N 1 0 333.388 1.793 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880203165 597872668 /nfs/dbraw/zinc/87/26/68/597872668.db2.gz FEVKKEVIBMFLGA-SJLPKXTDSA-N 1 0 349.431 1.861 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880584180 597971028 /nfs/dbraw/zinc/97/10/28/597971028.db2.gz GEWDPMFWIXPHAM-OAHLLOKOSA-N 1 0 336.388 1.967 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000882503265 597979994 /nfs/dbraw/zinc/97/99/94/597979994.db2.gz PPDHCPFEBPMXBD-UHFFFAOYSA-N 1 0 335.408 1.577 20 5 EDBDRO CC[N@@H+]1CC[C@@H]1CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000882961201 598118122 /nfs/dbraw/zinc/11/81/22/598118122.db2.gz HSLZYKMCJXIFMM-CQSZACIVSA-N 1 0 348.403 1.573 20 5 EDBDRO CCc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC000940107343 700218710 /nfs/dbraw/zinc/21/87/10/700218710.db2.gz JEOMHGMKXZPTTF-CHWSQXEVSA-N 1 0 336.392 1.373 20 5 EDBDRO CC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN(C(=O)c2cnon2)CC1 ZINC000940384921 700559631 /nfs/dbraw/zinc/55/96/31/700559631.db2.gz DGSZVXLTCSMVMU-UHFFFAOYSA-N 1 0 345.359 1.762 20 5 EDBDRO O=C(c1cn[nH]n1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000996757739 703046516 /nfs/dbraw/zinc/04/65/16/703046516.db2.gz USOHOFAWCFVHQF-UHFFFAOYSA-N 1 0 330.348 1.107 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)C2(C)CCCC2)CC1 ZINC000996850848 703138428 /nfs/dbraw/zinc/13/84/28/703138428.db2.gz UWTWXZJKQOJOOF-UHFFFAOYSA-N 1 0 349.435 1.989 20 5 EDBDRO CO[C@@]1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCSC1 ZINC000922571219 704037767 /nfs/dbraw/zinc/03/77/67/704037767.db2.gz IRUCNQFNFBWZLX-OAHLLOKOSA-N 1 0 340.401 1.978 20 5 EDBDRO COc1cc(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c([N+](=O)[O-])cc1OC ZINC000922726667 704275031 /nfs/dbraw/zinc/27/50/31/704275031.db2.gz WOMDCVQHAGUSTC-WQGACYEGSA-N 1 0 338.360 1.506 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccc(F)cn2)CC1 ZINC000997772706 704674395 /nfs/dbraw/zinc/67/43/95/704674395.db2.gz QTODEJQUKYIPMG-HUUCEWRRSA-N 1 0 336.367 1.214 20 5 EDBDRO Cn1cnc(C(=O)NC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001002741539 709344034 /nfs/dbraw/zinc/34/40/34/709344034.db2.gz LKKLITRDKHXJQM-UHFFFAOYSA-N 1 0 344.375 1.118 20 5 EDBDRO Cc1c(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000052843815 214150723 /nfs/dbraw/zinc/15/07/23/214150723.db2.gz ASZRIKWGBJUTPR-UHFFFAOYSA-N 1 0 346.431 1.757 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000175084064 231381773 /nfs/dbraw/zinc/38/17/73/231381773.db2.gz DBEWKRWFYPCNHM-UWVGGRQHSA-N 1 0 333.435 1.807 20 5 EDBDRO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000170873429 282264241 /nfs/dbraw/zinc/26/42/41/282264241.db2.gz ITADQBIFTBKECO-VIFPVBQESA-N 1 0 333.797 1.573 20 5 EDBDRO C[N@H+](CCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000186795198 529891430 /nfs/dbraw/zinc/89/14/30/529891430.db2.gz VENBJDWKMUWCTR-UHFFFAOYSA-N 1 0 344.371 1.947 20 5 EDBDRO C[C@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)c1ccc([N+](=O)[O-])cc1 ZINC000560138464 306261755 /nfs/dbraw/zinc/26/17/55/306261755.db2.gz UMFINJKYLLCQQV-LWOUBBNUSA-N 1 0 332.360 1.766 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000562492771 306300319 /nfs/dbraw/zinc/30/03/19/306300319.db2.gz GUNBUSYBEBWJSU-AWEZNQCLSA-N 1 0 329.360 1.466 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000104496637 219390191 /nfs/dbraw/zinc/39/01/91/219390191.db2.gz TZIYHKMICCXOOL-STQMWFEESA-N 1 0 348.403 1.123 20 5 EDBDRO NC(=O)[C@]1(NCc2ccc(Br)cc2[N+](=O)[O-])CCOC1 ZINC000563357365 306329779 /nfs/dbraw/zinc/32/97/79/306329779.db2.gz JFFKXZBRVDLLGY-LBPRGKRZSA-N 1 0 344.165 1.091 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000087384349 138271850 /nfs/dbraw/zinc/27/18/50/138271850.db2.gz LREDYYTZMGEUJH-NSHDSACASA-N 1 0 333.797 1.572 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000186980306 236085637 /nfs/dbraw/zinc/08/56/37/236085637.db2.gz MNGMFDLGUUMJSQ-AWEZNQCLSA-N 1 0 348.334 1.867 20 5 EDBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000187004941 236092125 /nfs/dbraw/zinc/09/21/25/236092125.db2.gz WLONQZPXGVYKOH-NSHDSACASA-N 1 0 336.392 1.936 20 5 EDBDRO CC[N@@H+]1CC[C@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000413852923 304081326 /nfs/dbraw/zinc/08/13/26/304081326.db2.gz HCCUZMZSENPALR-ZDUSSCGKSA-N 1 0 334.376 1.593 20 5 EDBDRO O=C1C[C@@H]([NH2+]CC2(O)CCCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000565159371 306376719 /nfs/dbraw/zinc/37/67/19/306376719.db2.gz YYNJLHDHIAWZKX-CQSZACIVSA-N 1 0 347.371 1.512 20 5 EDBDRO Cc1c(C(=O)N2CCCC[C@H]2C[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000131079978 223203288 /nfs/dbraw/zinc/20/32/88/223203288.db2.gz BHYRQJQMGIFCKH-AWEZNQCLSA-N 1 0 344.375 1.437 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000072639688 216287049 /nfs/dbraw/zinc/28/70/49/216287049.db2.gz RKKOWZVQRRYZRJ-GXTWGEPZSA-N 1 0 346.387 1.537 20 5 EDBDRO CCS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000414334105 304107410 /nfs/dbraw/zinc/10/74/10/304107410.db2.gz GCDSBUKKDPRZSS-OLZOCXBDSA-N 1 0 344.437 1.689 20 5 EDBDRO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000414348053 304109471 /nfs/dbraw/zinc/10/94/71/304109471.db2.gz RSIKYKJZSRNIPM-NEPJUHHUSA-N 1 0 336.392 1.815 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000189318613 138867713 /nfs/dbraw/zinc/86/77/13/138867713.db2.gz FZWWXQOTGWOAIA-MWLCHTKSSA-N 1 0 329.378 1.022 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC1(C)CC[NH2+]CC1 ZINC000193376235 138967766 /nfs/dbraw/zinc/96/77/66/138967766.db2.gz QQIWLDXXELVFSZ-UHFFFAOYSA-N 1 0 341.433 1.880 20 5 EDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000567261805 306444755 /nfs/dbraw/zinc/44/47/55/306444755.db2.gz ONIHHFCAVQRPJM-CHWSQXEVSA-N 1 0 348.403 1.241 20 5 EDBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000236611749 139026897 /nfs/dbraw/zinc/02/68/97/139026897.db2.gz KXEVMQOBSQHVPO-GFCCVEGCSA-N 1 0 332.364 1.279 20 5 EDBDRO COc1ccc(-c2ccc(C[NH2+]CCOCCO)o2)c([N+](=O)[O-])c1 ZINC000237288101 139046631 /nfs/dbraw/zinc/04/66/31/139046631.db2.gz GSMMXWNZQWIBEJ-UHFFFAOYSA-N 1 0 336.344 1.962 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000237428215 139050843 /nfs/dbraw/zinc/05/08/43/139050843.db2.gz YHBHUXMHNYMBOW-UWVGGRQHSA-N 1 0 347.824 1.996 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000237550239 139053882 /nfs/dbraw/zinc/05/38/82/139053882.db2.gz FKJODOQFEGPHQK-BXUZGUMPSA-N 1 0 334.376 1.053 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000237580072 139054717 /nfs/dbraw/zinc/05/47/17/139054717.db2.gz MDIGHQPBAPXICH-UHFFFAOYSA-N 1 0 337.424 1.918 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CCC([NH3+])CC1 ZINC000237621070 139055931 /nfs/dbraw/zinc/05/59/31/139055931.db2.gz ZVPPLKYSKHTEEI-PKSQDBQZSA-N 1 0 334.376 1.099 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000237631103 139056377 /nfs/dbraw/zinc/05/63/77/139056377.db2.gz PWLHOTQKWGEVSA-GZMMTYOYSA-N 1 0 327.768 1.869 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2CCC([NH3+])CC2)cc1C ZINC000237666527 139057459 /nfs/dbraw/zinc/05/74/59/139057459.db2.gz PHRQLYVISZPUGP-UHFFFAOYSA-N 1 0 327.406 1.760 20 5 EDBDRO Cn1cc(C(=O)N[C@@H](C[NH3+])C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237887163 139062874 /nfs/dbraw/zinc/06/28/74/139062874.db2.gz TVQOTJXWOPPIKM-AWEZNQCLSA-N 1 0 329.360 1.462 20 5 EDBDRO [NH3+][C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000237805547 139060932 /nfs/dbraw/zinc/06/09/32/139060932.db2.gz MLSXBUVJAWQERL-CZUORRHYSA-N 1 0 341.371 1.703 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000415343743 304198614 /nfs/dbraw/zinc/19/86/14/304198614.db2.gz CCNHSGBTHPMZGJ-AAEUAGOBSA-N 1 0 348.403 1.600 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000415357083 304202666 /nfs/dbraw/zinc/20/26/66/304202666.db2.gz VXEVDLCJBJXQMQ-RYUDHWBXSA-N 1 0 334.376 1.346 20 5 EDBDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000415376502 304208022 /nfs/dbraw/zinc/20/80/22/304208022.db2.gz NBKDZZGVPJEQQY-VIFPVBQESA-N 1 0 340.767 1.397 20 5 EDBDRO COc1cc(CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000248639065 139169679 /nfs/dbraw/zinc/16/96/79/139169679.db2.gz WMDZTVNIMGSJSS-NEPJUHHUSA-N 1 0 341.383 1.629 20 5 EDBDRO COc1cc(C(=O)N2CCC3(CC[NH2+]C3)CC2)cc([N+](=O)[O-])c1OC ZINC000261698157 139218605 /nfs/dbraw/zinc/21/86/05/139218605.db2.gz FKKZBTPMSPDJDB-UHFFFAOYSA-N 1 0 349.387 1.828 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc1[N+](=O)[O-] ZINC000261811161 139228086 /nfs/dbraw/zinc/22/80/86/139228086.db2.gz ZSHXIMOQRAIFHL-LDYMZIIASA-N 1 0 333.797 1.667 20 5 EDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000261878012 139233328 /nfs/dbraw/zinc/23/33/28/139233328.db2.gz TXXRMEYYPJHYGC-NWDGAFQWSA-N 1 0 329.360 1.590 20 5 EDBDRO CN(C)S(=O)(=O)c1ccc(NC[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000261930284 139238005 /nfs/dbraw/zinc/23/80/05/139238005.db2.gz JLDQCJPTHPGJHU-JTQLQIEISA-N 1 0 328.394 1.009 20 5 EDBDRO Cc1c(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000261909745 139236021 /nfs/dbraw/zinc/23/60/21/139236021.db2.gz XXSQCOXVFUWKFN-CMPLNLGQSA-N 1 0 344.375 1.293 20 5 EDBDRO C[C@@]1(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]C1 ZINC000261949807 139239399 /nfs/dbraw/zinc/23/93/99/139239399.db2.gz FTEFFJPADCHPKO-QGZVFWFLSA-N 1 0 332.404 1.352 20 5 EDBDRO Cn1cc(C(=O)N2CC[C@](C)(C[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000261971861 139240985 /nfs/dbraw/zinc/24/09/85/139240985.db2.gz LPEMGFYROYIQHX-QGZVFWFLSA-N 1 0 343.387 1.806 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[C@H]1[NH3+] ZINC000261985475 139241775 /nfs/dbraw/zinc/24/17/75/139241775.db2.gz JUXPHKOAKLIIML-NWDGAFQWSA-N 1 0 329.360 1.590 20 5 EDBDRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000262003638 139243259 /nfs/dbraw/zinc/24/32/59/139243259.db2.gz VOEWKTZADFPJFF-JTQLQIEISA-N 1 0 347.824 1.998 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000415574555 304229454 /nfs/dbraw/zinc/22/94/54/304229454.db2.gz RWGVTNROFYGNTP-UHFFFAOYSA-N 1 0 334.376 1.348 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000417174288 251144672 /nfs/dbraw/zinc/14/46/72/251144672.db2.gz HYBJSCQMOIEBKA-ZLKJLUDKSA-N 1 0 334.376 1.482 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000417172452 251145434 /nfs/dbraw/zinc/14/54/34/251145434.db2.gz FWNBMNGGZCMZPV-RISCZKNCSA-N 1 0 336.392 1.872 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)NCCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000417846455 251295014 /nfs/dbraw/zinc/29/50/14/251295014.db2.gz JHZYWIWDABIAAK-CQSZACIVSA-N 1 0 349.435 1.559 20 5 EDBDRO CC[C@H](NC(=O)N1CCOC2(C[NH2+]C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000417852297 251298636 /nfs/dbraw/zinc/29/86/36/251298636.db2.gz NZUKYHWRTGYJNB-AWEZNQCLSA-N 1 0 334.376 1.430 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)N2CCOC3(C[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000417861088 251302496 /nfs/dbraw/zinc/30/24/96/251302496.db2.gz ZSUFIEKQDYWQBS-GFCCVEGCSA-N 1 0 334.376 1.348 20 5 EDBDRO CC[C@H](NC(=O)C(=O)NC1CCC([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000419162744 251491108 /nfs/dbraw/zinc/49/11/08/251491108.db2.gz KPISIIYBKANFOR-PIMMBPRGSA-N 1 0 348.403 1.548 20 5 EDBDRO COC(=O)c1cc(NC(=O)N2CC[C@H]([NH3+])[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000415592882 304234887 /nfs/dbraw/zinc/23/48/87/304234887.db2.gz CWRPSTSIOFWSHL-KOLCDFICSA-N 1 0 336.348 1.643 20 5 EDBDRO C[NH2+]C[C@H](C)CNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000415600703 304236488 /nfs/dbraw/zinc/23/64/88/304236488.db2.gz OGOPLUHHPIIRSE-VIFPVBQESA-N 1 0 338.364 1.667 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262895499 139311083 /nfs/dbraw/zinc/31/10/83/139311083.db2.gz XEQVNEBMGSXJQD-ZANVPECISA-N 1 0 330.344 1.576 20 5 EDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cn(CCC[NH3+])nn1 ZINC000423073372 252034921 /nfs/dbraw/zinc/03/49/21/252034921.db2.gz RFGZIROWMKNLTI-UHFFFAOYSA-N 1 0 346.391 1.586 20 5 EDBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000112363987 220314964 /nfs/dbraw/zinc/31/49/64/220314964.db2.gz WCSCEERTPDIOGN-UHFFFAOYSA-N 1 0 333.385 1.744 20 5 EDBDRO COc1cc(OCC(=O)NCC[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000152681306 533091173 /nfs/dbraw/zinc/09/11/73/533091173.db2.gz ZJLVVHLRVNVHBR-LBPRGKRZSA-N 1 0 337.376 1.488 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000447245731 254623034 /nfs/dbraw/zinc/62/30/34/254623034.db2.gz NPEQWULIMKIOTQ-NWDGAFQWSA-N 1 0 327.406 1.569 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C[C@H]21 ZINC000447248342 254623224 /nfs/dbraw/zinc/62/32/24/254623224.db2.gz SBSSDVHQIVCFGD-IVZWLZJFSA-N 1 0 331.419 1.404 20 5 EDBDRO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000449592916 254642566 /nfs/dbraw/zinc/64/25/66/254642566.db2.gz TWVDECDNNHKZTE-YWPYICTPSA-N 1 0 348.403 1.360 20 5 EDBDRO C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH+](C)CC1 ZINC000114384128 220675468 /nfs/dbraw/zinc/67/54/68/220675468.db2.gz XLHSLRFSDLWSIM-LBPRGKRZSA-N 1 0 345.403 1.442 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000263798217 139361164 /nfs/dbraw/zinc/36/11/64/139361164.db2.gz SFZSOJJQXKVMEH-UHFFFAOYSA-N 1 0 334.376 1.244 20 5 EDBDRO Cc1c(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000153745181 224151596 /nfs/dbraw/zinc/15/15/96/224151596.db2.gz QMCCGWZQBRVBDW-NSHDSACASA-N 1 0 336.348 1.978 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493145522 255193226 /nfs/dbraw/zinc/19/32/26/255193226.db2.gz DLXYIQSTBUSGJV-KTKRTIGZSA-N 1 0 334.420 1.608 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1ccccc1 ZINC000116922510 221010777 /nfs/dbraw/zinc/01/07/77/221010777.db2.gz YTAVOOPMMQZZPE-UHFFFAOYSA-N 1 0 335.385 1.663 20 5 EDBDRO COc1ccc(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000264313423 139396327 /nfs/dbraw/zinc/39/63/27/139396327.db2.gz RBLBCKWQKBZHDZ-CYBMUJFWSA-N 1 0 336.392 1.839 20 5 EDBDRO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000270625837 140136564 /nfs/dbraw/zinc/13/65/64/140136564.db2.gz HYAOHQIXNRDJMN-DOMZBBRYSA-N 1 0 329.360 1.802 20 5 EDBDRO CS[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000271182565 140252591 /nfs/dbraw/zinc/25/25/91/140252591.db2.gz UTFXYPAJVWBZJP-JSGCOSHPSA-N 1 0 339.417 1.478 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000571801865 306574902 /nfs/dbraw/zinc/57/49/02/306574902.db2.gz FLIGLDFNUFFLPC-ZDUSSCGKSA-N 1 0 347.371 1.928 20 5 EDBDRO CCCC[C@H](C[NH3+])Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000321218762 140660569 /nfs/dbraw/zinc/66/05/69/140660569.db2.gz YHEJFUNCUUPIST-LLVKDONJSA-N 1 0 344.437 1.775 20 5 EDBDRO C[NH+](C)[C@@H]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000332144657 141130415 /nfs/dbraw/zinc/13/04/15/141130415.db2.gz MZSRUDCVCKPTJY-GFCCVEGCSA-N 1 0 335.360 1.071 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(CCOc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000339393597 142035692 /nfs/dbraw/zinc/03/56/92/142035692.db2.gz KLWPYFRUMTVENE-WBVHZDCISA-N 1 0 335.404 1.769 20 5 EDBDRO C[C@H]1CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H](C)[NH+]1C ZINC000339622525 142098370 /nfs/dbraw/zinc/09/83/70/142098370.db2.gz ZUDMGIGHSLDLFL-STQMWFEESA-N 1 0 348.403 1.917 20 5 EDBDRO Cc1ccc(NCCCNC(=O)[C@H]([NH3+])CC(F)F)c([N+](=O)[O-])c1 ZINC000345722145 143125662 /nfs/dbraw/zinc/12/56/62/143125662.db2.gz WGITYJWCCZBXDF-SNVBAGLBSA-N 1 0 330.335 1.804 20 5 EDBDRO CCOc1cc(C(=O)N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000346177656 143175551 /nfs/dbraw/zinc/17/55/51/143175551.db2.gz GJVRKHCEGVHLEB-JTQLQIEISA-N 1 0 325.365 1.682 20 5 EDBDRO C[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C(N)=O ZINC000346655134 143227119 /nfs/dbraw/zinc/22/71/19/143227119.db2.gz KNJAOBLNJBREDH-CABZTGNLSA-N 1 0 331.332 1.198 20 5 EDBDRO COc1ccc(S(=O)(=O)NC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000416507617 304326567 /nfs/dbraw/zinc/32/65/67/304326567.db2.gz LHXDRLLVHUOMAN-UHFFFAOYSA-N 1 0 331.394 1.222 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000369854523 155205162 /nfs/dbraw/zinc/20/51/62/155205162.db2.gz XPEZPGDIFUNGAS-HUUCEWRRSA-N 1 0 347.350 1.192 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000573372715 306619502 /nfs/dbraw/zinc/61/95/02/306619502.db2.gz WOTJJZSTKWHDQF-GFCCVEGCSA-N 1 0 347.371 1.785 20 5 EDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(=O)n2nccc2[nH]1 ZINC000352571663 149068554 /nfs/dbraw/zinc/06/85/54/149068554.db2.gz XMICECJAYLWIIY-UHFFFAOYSA-N 1 0 327.344 1.605 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000369908661 155226314 /nfs/dbraw/zinc/22/63/14/155226314.db2.gz AJGIHLHFQIRGOD-HZSPNIEDSA-N 1 0 333.388 1.950 20 5 EDBDRO C[NH+](C)CC1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000352965866 149232808 /nfs/dbraw/zinc/23/28/08/149232808.db2.gz VBMLYZVEXITNFO-UHFFFAOYSA-N 1 0 341.433 1.698 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)COc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355313140 150212072 /nfs/dbraw/zinc/21/20/72/150212072.db2.gz GQUGOYKFAMSGRF-HZPDHXFCSA-N 1 0 349.387 1.295 20 5 EDBDRO Cc1nn(C)c(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000355713025 150370243 /nfs/dbraw/zinc/37/02/43/150370243.db2.gz FDMCYGXMVCHEAY-KRWDZBQOSA-N 1 0 345.403 1.686 20 5 EDBDRO Cn1cccc1C(=O)NC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000370002820 155277219 /nfs/dbraw/zinc/27/72/19/155277219.db2.gz SZDCWFSMBDUZOP-UHFFFAOYSA-N 1 0 346.391 1.024 20 5 EDBDRO COC(=O)CN1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000370027492 155288768 /nfs/dbraw/zinc/28/87/68/155288768.db2.gz QGBACGCEIWZELJ-UHFFFAOYSA-N 1 0 337.376 1.154 20 5 EDBDRO CSC1(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000357577108 151072943 /nfs/dbraw/zinc/07/29/43/151072943.db2.gz GHDGGGHZFBCTAM-UHFFFAOYSA-N 1 0 338.433 1.933 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H](CCO)C1 ZINC000357824423 151162569 /nfs/dbraw/zinc/16/25/69/151162569.db2.gz CKPNGFOFQCKWOA-LBPRGKRZSA-N 1 0 335.360 1.597 20 5 EDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CS(=O)(=O)CCO2)cc1[N+](=O)[O-] ZINC000358299870 151330454 /nfs/dbraw/zinc/33/04/54/151330454.db2.gz JXEPYEOZAACQSP-DGCLKSJQSA-N 1 0 328.390 1.367 20 5 EDBDRO COC[C@@H](C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)OC ZINC000358431130 151372242 /nfs/dbraw/zinc/37/22/42/151372242.db2.gz ILBUYQQUTYGZLY-BXUZGUMPSA-N 1 0 325.365 1.563 20 5 EDBDRO O=C1[C@H](N2CC[C@@]3(CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000360572657 152103675 /nfs/dbraw/zinc/10/36/75/152103675.db2.gz XYBJMHOEIROAQI-NVXWUHKLSA-N 1 0 330.388 1.386 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000360619429 152126693 /nfs/dbraw/zinc/12/66/93/152126693.db2.gz ZDJLOCWZEYHOGV-STQMWFEESA-N 1 0 348.403 1.184 20 5 EDBDRO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])nn2C)c(OCC[NH+](C)C)c1 ZINC000360757957 152190535 /nfs/dbraw/zinc/19/05/35/152190535.db2.gz ZNOFLVDHQSVPTP-UHFFFAOYSA-N 1 0 347.375 1.829 20 5 EDBDRO CC[C@H]1CN(c2c([N+](=O)[O-])nc(C)n2CC)CC[N@@H+]1C[C@H](C)O ZINC000360901377 152246689 /nfs/dbraw/zinc/24/66/89/152246689.db2.gz IQJDADNOZPBHOV-AAEUAGOBSA-N 1 0 325.413 1.401 20 5 EDBDRO COc1cc(C(=O)N[C@H]2C[C@H]2C2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000361094483 152300878 /nfs/dbraw/zinc/30/08/78/152300878.db2.gz GOKOFDQSHBBEMX-AAEUAGOBSA-N 1 0 349.387 1.730 20 5 EDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000370149002 155349377 /nfs/dbraw/zinc/34/93/77/155349377.db2.gz DKXBUQPRWGTBAP-IOASZLSFSA-N 1 0 332.404 1.948 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000417180511 304381106 /nfs/dbraw/zinc/38/11/06/304381106.db2.gz NFJDWTOSRYIZBL-UHFFFAOYSA-N 1 0 348.403 1.889 20 5 EDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000363688877 153030185 /nfs/dbraw/zinc/03/01/85/153030185.db2.gz DNUXLHHXURLNGR-VXGBXAGGSA-N 1 0 339.779 1.841 20 5 EDBDRO Nc1c(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000363695644 153032492 /nfs/dbraw/zinc/03/24/92/153032492.db2.gz BLHMUZYQVKYFMH-UONOGXRCSA-N 1 0 344.346 1.883 20 5 EDBDRO CNS(=O)(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000363717293 153038098 /nfs/dbraw/zinc/03/80/98/153038098.db2.gz RWJYYOHPEGRAGU-GFCCVEGCSA-N 1 0 347.824 1.762 20 5 EDBDRO Cc1nc2n(c1C)CCN(S(=O)(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000363900135 153090878 /nfs/dbraw/zinc/09/08/78/153090878.db2.gz WKZWXZYWLDWIRN-UHFFFAOYSA-N 1 0 336.373 1.613 20 5 EDBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000363936050 153101662 /nfs/dbraw/zinc/10/16/62/153101662.db2.gz DPXBXMLIVBUZSX-RYUDHWBXSA-N 1 0 349.387 1.969 20 5 EDBDRO COC(=O)c1cc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc(C)c1[N+](=O)[O-] ZINC000364033099 153128874 /nfs/dbraw/zinc/12/88/74/153128874.db2.gz FQVGWHNPAYOOGK-UONOGXRCSA-N 1 0 349.387 1.965 20 5 EDBDRO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000364342198 153210116 /nfs/dbraw/zinc/21/01/16/153210116.db2.gz IEUQBKDJRRARGE-HUUCEWRRSA-N 1 0 335.408 1.657 20 5 EDBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000364454872 153242710 /nfs/dbraw/zinc/24/27/10/153242710.db2.gz RQRQHFSMUDCBKG-SJORKVTESA-N 1 0 331.416 1.819 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000364914368 153368023 /nfs/dbraw/zinc/36/80/23/153368023.db2.gz IXVBHENVMLLOTQ-HFBAOOFYSA-N 1 0 348.403 1.501 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1C ZINC000262809196 292291882 /nfs/dbraw/zinc/29/18/82/292291882.db2.gz TUBDFPSGEHNQQP-CMPLNLGQSA-N 1 0 327.406 1.630 20 5 EDBDRO Cc1nc(C)n([C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000367142010 154021040 /nfs/dbraw/zinc/02/10/40/154021040.db2.gz SSLGIFHGGMNRNN-CQSZACIVSA-N 1 0 346.391 1.302 20 5 EDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCn2ccnc2C1 ZINC000367250992 154054235 /nfs/dbraw/zinc/05/42/35/154054235.db2.gz BJSOPIUCJYZKLW-VIFPVBQESA-N 1 0 333.323 1.505 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000367785493 154268790 /nfs/dbraw/zinc/26/87/90/154268790.db2.gz WPKZKJCZNYBHHS-ITGUQSILSA-N 1 0 335.360 1.102 20 5 EDBDRO CCc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000371844089 156136375 /nfs/dbraw/zinc/13/63/75/156136375.db2.gz IRKHOPXSCCRTDZ-GJZGRUSLSA-N 1 0 333.388 1.750 20 5 EDBDRO Cc1nn(CCC(=O)N2CCC[C@@H]3C[NH2+]CCC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000373558629 156902376 /nfs/dbraw/zinc/90/23/76/156902376.db2.gz CHPULFYIEMPEJG-CABCVRRESA-N 1 0 349.435 1.789 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000378237011 158118486 /nfs/dbraw/zinc/11/84/86/158118486.db2.gz ZFUGQMZUNOWLEY-UONOGXRCSA-N 1 0 335.408 1.480 20 5 EDBDRO COc1ccc(OCCN2CCCC[C@H]2C(=[NH2+])NO)c([N+](=O)[O-])c1 ZINC000364398283 162325126 /nfs/dbraw/zinc/32/51/26/162325126.db2.gz RWGKASGOMBEGHI-LBPRGKRZSA-N 1 0 338.364 1.793 20 5 EDBDRO O=C(NCC[C@H]1CC[NH2+]C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418329132 304480790 /nfs/dbraw/zinc/48/07/90/304480790.db2.gz APKLHCQVSBCXFZ-GFCCVEGCSA-N 1 0 334.376 1.498 20 5 EDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171442557 227081831 /nfs/dbraw/zinc/08/18/31/227081831.db2.gz IWSAAZICACMLNY-LBPRGKRZSA-N 1 0 329.360 1.781 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000122397579 222078873 /nfs/dbraw/zinc/07/88/73/222078873.db2.gz JNCLPBPARSLTQO-GFCCVEGCSA-N 1 0 348.403 1.690 20 5 EDBDRO Cc1sc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000123099619 222215300 /nfs/dbraw/zinc/21/53/00/222215300.db2.gz SNARSNUGYJTBOV-SNVBAGLBSA-N 1 0 345.446 1.727 20 5 EDBDRO Cc1cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000123175575 222228746 /nfs/dbraw/zinc/22/87/46/222228746.db2.gz JECSYYOSJCXCFQ-KRWDZBQOSA-N 1 0 348.447 1.905 20 5 EDBDRO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H]1CCC[NH2+]C1 ZINC000124101399 222376738 /nfs/dbraw/zinc/37/67/38/222376738.db2.gz XNLAYOVFPIECHH-NSHDSACASA-N 1 0 348.359 1.151 20 5 EDBDRO COC(=O)N1CCC([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000186387339 267709638 /nfs/dbraw/zinc/70/96/38/267709638.db2.gz CGNHSUZSWLQQGD-NSHDSACASA-N 1 0 325.369 1.248 20 5 EDBDRO NS(=O)(=O)c1cccc(NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000273480087 268048169 /nfs/dbraw/zinc/04/81/69/268048169.db2.gz MGLDRLJXDVWZFL-UHFFFAOYSA-N 1 0 328.394 1.140 20 5 EDBDRO C[C@@H](O)C[NH+]1CCC(CN(C)c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000274701761 268187389 /nfs/dbraw/zinc/18/73/89/268187389.db2.gz UXXAUNHNBDBYBV-LLVKDONJSA-N 1 0 340.399 1.845 20 5 EDBDRO O=C(CC[N@@H+](CCO)C1CCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000275795412 268373415 /nfs/dbraw/zinc/37/34/15/268373415.db2.gz FLGPMVLCSGIREL-UHFFFAOYSA-N 1 0 325.340 1.909 20 5 EDBDRO CC(C)c1ccc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000275902014 268383849 /nfs/dbraw/zinc/38/38/49/268383849.db2.gz RVYKWTZOSRCSBB-CQSZACIVSA-N 1 0 334.420 1.694 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCC1CC[NH+](C2CC2)CC1 ZINC000278501929 268671830 /nfs/dbraw/zinc/67/18/30/268671830.db2.gz IJLCGORIUFZPGO-UHFFFAOYSA-N 1 0 332.404 1.997 20 5 EDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000275756426 273125259 /nfs/dbraw/zinc/12/52/59/273125259.db2.gz DXYSQJOAXDHKAB-NSHDSACASA-N 1 0 338.364 1.784 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000277345054 273190623 /nfs/dbraw/zinc/19/06/23/273190623.db2.gz WIYJEERHDFMZLU-GDBMZVCRSA-N 1 0 337.420 1.751 20 5 EDBDRO C[C@@H](CC[NH+](C)C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277646540 273214242 /nfs/dbraw/zinc/21/42/42/273214242.db2.gz DJXPJCGGCKYYQJ-JTQLQIEISA-N 1 0 334.380 1.611 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000277945288 273236710 /nfs/dbraw/zinc/23/67/10/273236710.db2.gz RFWDVARHRVPFBS-NTZNESFSSA-N 1 0 337.376 1.945 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCCC[NH+]2CCOCC2)n1 ZINC000281052909 273430260 /nfs/dbraw/zinc/43/02/60/273430260.db2.gz XLJLCLAASNTSLP-UHFFFAOYSA-N 1 0 338.364 1.301 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000282280804 273621659 /nfs/dbraw/zinc/62/16/59/273621659.db2.gz KYZGZEIRPPBBHY-JTNHKYCSSA-N 1 0 334.376 1.569 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000282437045 273650881 /nfs/dbraw/zinc/65/08/81/273650881.db2.gz RRAANKGLMUVOTG-FZMZJTMJSA-N 1 0 334.376 1.489 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000266267341 274119056 /nfs/dbraw/zinc/11/90/56/274119056.db2.gz ATODWBGZERJLNP-SDDRHHMPSA-N 1 0 337.376 1.945 20 5 EDBDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C)c1ccccc1[N+](=O)[O-] ZINC000284919139 274386671 /nfs/dbraw/zinc/38/66/71/274386671.db2.gz UFCFDGZCVSKWJJ-CJBNDPTMSA-N 1 0 343.387 1.951 20 5 EDBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H]2CCCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000130651028 274664585 /nfs/dbraw/zinc/66/45/85/274664585.db2.gz FMLBLBLPOYZGJQ-DYEKYZERSA-N 1 0 348.403 1.864 20 5 EDBDRO Cn1cc([C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000424416466 274894036 /nfs/dbraw/zinc/89/40/36/274894036.db2.gz VEDBPZHYOPOAKM-UONOGXRCSA-N 1 0 338.371 1.808 20 5 EDBDRO [NH3+][C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000269123426 274956235 /nfs/dbraw/zinc/95/62/35/274956235.db2.gz VQPRQXASARUJHG-SECBINFHSA-N 1 0 328.166 1.921 20 5 EDBDRO O=C1C[C@@H]([N@@H+]2CC[C@@H](C3CC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000378304058 275019474 /nfs/dbraw/zinc/01/94/74/275019474.db2.gz FWROXSAVEFMIDT-IUODEOHRSA-N 1 0 329.356 1.959 20 5 EDBDRO Cn1c(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000340470029 276863785 /nfs/dbraw/zinc/86/37/85/276863785.db2.gz MIDYGRJONNRZBK-AWEZNQCLSA-N 1 0 330.388 1.836 20 5 EDBDRO CN(CC(=O)N1CC[NH2+]CC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000262133818 276914512 /nfs/dbraw/zinc/91/45/12/276914512.db2.gz LQOBHWMFLULYDD-UHFFFAOYSA-N 1 0 326.784 1.112 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000286117584 287939549 /nfs/dbraw/zinc/93/95/49/287939549.db2.gz OHPOSOTYWMXSQG-WCQYABFASA-N 1 0 329.360 1.508 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000367374465 277280329 /nfs/dbraw/zinc/28/03/29/277280329.db2.gz IOZOATPHGZIKIJ-RYUDHWBXSA-N 1 0 325.340 1.522 20 5 EDBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000351520462 278113839 /nfs/dbraw/zinc/11/38/39/278113839.db2.gz FGGRHAIYDGQSPY-UONOGXRCSA-N 1 0 327.406 1.545 20 5 EDBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270382669 278167826 /nfs/dbraw/zinc/16/78/26/278167826.db2.gz QCLNRIQUADIPKJ-STQMWFEESA-N 1 0 326.378 1.985 20 5 EDBDRO C[C@@H]1[NH2+]CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000262739907 279037978 /nfs/dbraw/zinc/03/79/78/279037978.db2.gz BQFSWBHJJPEGSK-IUCAKERBSA-N 1 0 333.797 1.619 20 5 EDBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000190856660 279179446 /nfs/dbraw/zinc/17/94/46/279179446.db2.gz ZMUUEEPILSJGQZ-UHFFFAOYSA-N 1 0 329.422 1.866 20 5 EDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000286973165 288128286 /nfs/dbraw/zinc/12/82/86/288128286.db2.gz PNOGWODZDYLWPE-BZUAXINKSA-N 1 0 349.431 1.893 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000332654424 280006140 /nfs/dbraw/zinc/00/61/40/280006140.db2.gz YYPYKSJRXYYPKD-WDEREUQCSA-N 1 0 335.360 1.579 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCO[C@H](C[NH+](C)C)C1 ZINC000287464373 288243671 /nfs/dbraw/zinc/24/36/71/288243671.db2.gz SEOUVHIUHGELNN-GFCCVEGCSA-N 1 0 337.376 1.457 20 5 EDBDRO C[NH+](C)C1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000158270211 282052079 /nfs/dbraw/zinc/05/20/79/282052079.db2.gz DZAQSZDCRRVMIA-UHFFFAOYSA-N 1 0 332.404 1.584 20 5 EDBDRO Cn1cc(C[NH2+]Cc2cnnn2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000288506923 288501802 /nfs/dbraw/zinc/50/18/02/288501802.db2.gz SOBLKYKNEXDFJO-UHFFFAOYSA-N 1 0 327.348 1.414 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C[NH3+])CC(C)C ZINC000124235890 288575571 /nfs/dbraw/zinc/57/55/71/288575571.db2.gz UXQWPVHTIFPHIE-LBPRGKRZSA-N 1 0 329.422 1.809 20 5 EDBDRO COC(=O)CC[C@H]([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000288840655 288579012 /nfs/dbraw/zinc/57/90/12/288579012.db2.gz VWHQPXQAESHJRC-NSHDSACASA-N 1 0 329.740 1.145 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000291608916 289123158 /nfs/dbraw/zinc/12/31/58/289123158.db2.gz AUUWDGRVDKFGPS-HNNXBMFYSA-N 1 0 339.417 1.620 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000292366163 289326639 /nfs/dbraw/zinc/32/66/39/289326639.db2.gz LYTOVFQPKQWXJL-LBPRGKRZSA-N 1 0 335.408 1.433 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000293241590 289558990 /nfs/dbraw/zinc/55/89/90/289558990.db2.gz RLCAKDPOVWSADS-SECBINFHSA-N 1 0 340.355 1.295 20 5 EDBDRO NC(=O)c1ccnc(N2CCC(C[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000357307405 295192153 /nfs/dbraw/zinc/19/21/53/295192153.db2.gz CHGHTWBZFOBWTG-UHFFFAOYSA-N 1 0 333.392 1.401 20 5 EDBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000261751519 295234439 /nfs/dbraw/zinc/23/44/39/295234439.db2.gz UUNIZBGZBPFHAL-GFCCVEGCSA-N 1 0 343.387 1.434 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000419169336 304573587 /nfs/dbraw/zinc/57/35/87/304573587.db2.gz RFECMEVJRQEGPW-CABCVRRESA-N 1 0 348.403 1.373 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000419282446 304585911 /nfs/dbraw/zinc/58/59/11/304585911.db2.gz YMNBRDBEFOTTIJ-JKOKRWQUSA-N 1 0 348.403 1.195 20 5 EDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420316215 304750605 /nfs/dbraw/zinc/75/06/05/304750605.db2.gz LRSIHYZVMGZWGB-ZJUUUORDSA-N 1 0 326.784 1.856 20 5 EDBDRO C[C@H]1[C@H]([NH3+])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000420424940 304756958 /nfs/dbraw/zinc/75/69/58/304756958.db2.gz IKPBIFDXGVZTLE-GXSJLCMTSA-N 1 0 336.373 1.253 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000420474951 304763216 /nfs/dbraw/zinc/76/32/16/304763216.db2.gz WEPMCCFBMAJPHD-NWDGAFQWSA-N 1 0 327.406 1.699 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1C ZINC000262809197 301861102 /nfs/dbraw/zinc/86/11/02/301861102.db2.gz TUBDFPSGEHNQQP-JQWIXIFHSA-N 1 0 327.406 1.630 20 5 EDBDRO CC[NH+]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)CC1 ZINC000456185204 447315748 /nfs/dbraw/zinc/31/57/48/447315748.db2.gz KOXHHMRBBUUOCD-UHFFFAOYSA-N 1 0 349.435 1.991 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)COc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000293914239 303037432 /nfs/dbraw/zinc/03/74/32/303037432.db2.gz NYXIMTFRFMYNNE-GOEBONIOSA-N 1 0 349.387 1.295 20 5 EDBDRO COc1ccc(C(=O)Nc2ccnn2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000294214549 303078367 /nfs/dbraw/zinc/07/83/67/303078367.db2.gz VWHDHSKHZPCETH-UHFFFAOYSA-N 1 0 333.348 1.614 20 5 EDBDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000295074614 303170401 /nfs/dbraw/zinc/17/04/01/303170401.db2.gz POEVLSVEBKQNMO-LLVKDONJSA-N 1 0 331.394 1.021 20 5 EDBDRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1ccc([N+](=O)[O-])cc1F ZINC000295372333 303210912 /nfs/dbraw/zinc/21/09/12/303210912.db2.gz GMAUVZSBOIJCSS-NSHDSACASA-N 1 0 325.340 1.311 20 5 EDBDRO COC(=O)Cc1ccc(N2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000297055093 303357040 /nfs/dbraw/zinc/35/70/40/303357040.db2.gz IQPLEOFYDUZSJE-UHFFFAOYSA-N 1 0 333.388 1.985 20 5 EDBDRO [NH3+][C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1c1ccc(F)cc1 ZINC000297200118 303371664 /nfs/dbraw/zinc/37/16/64/303371664.db2.gz MQOCJHOOTCDALF-CABCVRRESA-N 1 0 347.350 1.274 20 5 EDBDRO [NH3+]C[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCCCC1 ZINC000124238719 303417643 /nfs/dbraw/zinc/41/76/43/303417643.db2.gz OLMWAUOSZZMHSK-LBPRGKRZSA-N 1 0 345.396 1.920 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000123333995 304805475 /nfs/dbraw/zinc/80/54/75/304805475.db2.gz NPBXQRDKTXHNDL-ULKQDVFKSA-N 1 0 345.808 1.810 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](O)COCC2CC2)n1 ZINC000351515823 304811581 /nfs/dbraw/zinc/81/15/81/304811581.db2.gz HITRHHWJGBVPDQ-QLFBSQMISA-N 1 0 338.408 1.652 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)cccc1[N+](=O)[O-] ZINC000423563717 304898609 /nfs/dbraw/zinc/89/86/09/304898609.db2.gz OCGHZZJIUDFIHO-UHFFFAOYSA-N 1 0 332.360 1.196 20 5 EDBDRO C[C@@H]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C[NH3+] ZINC000424017100 304925408 /nfs/dbraw/zinc/92/54/08/304925408.db2.gz ORISKECJHXDREO-DGCLKSJQSA-N 1 0 349.387 1.352 20 5 EDBDRO O=C(CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000428033394 305004450 /nfs/dbraw/zinc/00/44/50/305004450.db2.gz MNPAOAZZAXCYDK-PWSUYJOCSA-N 1 0 338.795 1.871 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000428552118 305011624 /nfs/dbraw/zinc/01/16/24/305011624.db2.gz UNQVOQSUYGDPSF-ZDUSSCGKSA-N 1 0 345.359 1.147 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429770381 305036666 /nfs/dbraw/zinc/03/66/66/305036666.db2.gz KGJFPFLLXZPWNV-NEPJUHHUSA-N 1 0 334.376 1.428 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000430194965 305047276 /nfs/dbraw/zinc/04/72/76/305047276.db2.gz LTYTXCGZUHBOBJ-CYBMUJFWSA-N 1 0 337.420 1.880 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H](C[NH3+])C1 ZINC000430610700 305058784 /nfs/dbraw/zinc/05/87/84/305058784.db2.gz LKJYYLBNCBZVOI-RYUDHWBXSA-N 1 0 336.392 1.601 20 5 EDBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000444264694 305244792 /nfs/dbraw/zinc/24/47/92/305244792.db2.gz IPCKSMXEMVBXRB-LLVKDONJSA-N 1 0 330.348 1.047 20 5 EDBDRO Cc1c(C(=O)N2CCC([N@@H+](C)C[C@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000444350430 305246618 /nfs/dbraw/zinc/24/66/18/305246618.db2.gz HQCQEWNDKVNEKB-LBPRGKRZSA-N 1 0 335.404 1.820 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000445741694 305260100 /nfs/dbraw/zinc/26/01/00/305260100.db2.gz KQKGFOYDOGCVMQ-UHFFFAOYSA-N 1 0 327.406 1.666 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCS(=O)(=O)C2)n1 ZINC000447537221 305281617 /nfs/dbraw/zinc/28/16/17/305281617.db2.gz UDVRRLBHTARMFQ-JHJVBQTASA-N 1 0 342.421 1.299 20 5 EDBDRO CSC[C@H](CCO)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447539714 305281776 /nfs/dbraw/zinc/28/17/76/305281776.db2.gz AYVUFTOOHIWBBQ-RWMBFGLXSA-N 1 0 328.438 1.979 20 5 EDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO)[NH+](C)C ZINC000448680536 305301395 /nfs/dbraw/zinc/30/13/95/305301395.db2.gz IRRYPEWFOIFOSF-JTQLQIEISA-N 1 0 327.406 1.359 20 5 EDBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000449695186 305317258 /nfs/dbraw/zinc/31/72/58/305317258.db2.gz IAAITEMIQBOLPX-CYBMUJFWSA-N 1 0 334.420 1.526 20 5 EDBDRO COc1cc(OCC(=O)N[C@@H]2CC[NH2+]CC2(C)C)ccc1[N+](=O)[O-] ZINC000449700272 305317535 /nfs/dbraw/zinc/31/75/35/305317535.db2.gz SVONHITXGBVDRS-CQSZACIVSA-N 1 0 337.376 1.487 20 5 EDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000449704235 305317630 /nfs/dbraw/zinc/31/76/30/305317630.db2.gz YBTIVLWWROLEHS-AWEZNQCLSA-N 1 0 348.403 1.219 20 5 EDBDRO C[C@H]1[C@@H](O)CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000451465722 305348064 /nfs/dbraw/zinc/34/80/64/305348064.db2.gz XLSMCXRTNAZVCQ-FZMZJTMJSA-N 1 0 335.360 1.738 20 5 EDBDRO CCn1cc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000451889382 305372069 /nfs/dbraw/zinc/37/20/69/305372069.db2.gz MJIAPRRZPXJDAY-OCCSQVGLSA-N 1 0 334.376 1.902 20 5 EDBDRO COC(=O)C1(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000486927309 305546530 /nfs/dbraw/zinc/54/65/30/305546530.db2.gz RCXLQSDXCYDYFS-NSHDSACASA-N 1 0 335.360 1.855 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000548961766 306142771 /nfs/dbraw/zinc/14/27/71/306142771.db2.gz BYLSEIDPCSZFOO-YPMHNXCESA-N 1 0 329.360 1.711 20 5 EDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000552155306 306176335 /nfs/dbraw/zinc/17/63/35/306176335.db2.gz PJRAJHXPZALCJC-BPNCWPANSA-N 1 0 339.417 1.209 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)C[C@H]21 ZINC000378491051 447434286 /nfs/dbraw/zinc/43/42/86/447434286.db2.gz FHEPTLKNIRKKPS-GXFFZTMASA-N 1 0 333.344 1.490 20 5 EDBDRO CCNC(=O)C[N@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000063492353 441332636 /nfs/dbraw/zinc/33/26/36/441332636.db2.gz ZUSMUIYNKNZDJP-UHFFFAOYSA-N 1 0 336.392 1.690 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)s1 ZINC000064598140 441386707 /nfs/dbraw/zinc/38/67/07/441386707.db2.gz LUSJYUXULFDXFQ-LLVKDONJSA-N 1 0 345.446 1.905 20 5 EDBDRO O=[N+]([O-])c1ccc(OCCN2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000065222884 441408338 /nfs/dbraw/zinc/40/83/38/441408338.db2.gz BTONECQQBMPYGM-KRWDZBQOSA-N 1 0 335.404 1.770 20 5 EDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000107888371 441432609 /nfs/dbraw/zinc/43/26/09/441432609.db2.gz BAOJYFLZGYNRQC-LLVKDONJSA-N 1 0 337.376 1.684 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000065917300 441493851 /nfs/dbraw/zinc/49/38/51/441493851.db2.gz ZQLPXYYMZAQERD-UHFFFAOYSA-N 1 0 349.435 1.952 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c(F)c1 ZINC000108403750 441451498 /nfs/dbraw/zinc/45/14/98/441451498.db2.gz DSPNAKWUIACDMS-LLVKDONJSA-N 1 0 343.380 1.497 20 5 EDBDRO O=C(NC1CC1)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065535952 441454220 /nfs/dbraw/zinc/45/42/20/441454220.db2.gz LYMRCBSJLMLAEX-UHFFFAOYSA-N 1 0 333.388 1.964 20 5 EDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](CC2CC2)CC1 ZINC000053237267 441506685 /nfs/dbraw/zinc/50/66/85/441506685.db2.gz MPKZQYPKAZSNAL-CYBMUJFWSA-N 1 0 332.404 1.949 20 5 EDBDRO CC[NH+]1CCN(CCNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000112918001 441566903 /nfs/dbraw/zinc/56/69/03/441566903.db2.gz VGHCLEYINNVNAQ-UHFFFAOYSA-N 1 0 349.435 1.151 20 5 EDBDRO C[NH+]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cn2)CC1 ZINC000054910751 441606041 /nfs/dbraw/zinc/60/60/41/441606041.db2.gz XSJNDCBCSXEWQD-UHFFFAOYSA-N 1 0 330.348 1.322 20 5 EDBDRO CC1CC[NH+](C[C@@H]2CCCN(c3ncc([N+](=O)[O-])c(N)n3)C2)CC1 ZINC000076269510 441620190 /nfs/dbraw/zinc/62/01/90/441620190.db2.gz WYHNULXGTWGRDM-ZDUSSCGKSA-N 1 0 334.424 1.915 20 5 EDBDRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090538847 441633695 /nfs/dbraw/zinc/63/36/95/441633695.db2.gz VJRMKCBUMQKHFM-SECBINFHSA-N 1 0 343.185 1.429 20 5 EDBDRO COc1cc(C[NH2+][C@@H](C)CCN2CCOCC2)c([N+](=O)[O-])cc1O ZINC000076897774 441692481 /nfs/dbraw/zinc/69/24/81/441692481.db2.gz ZPNRAXIHAXUBQR-LBPRGKRZSA-N 1 0 339.392 1.509 20 5 EDBDRO COc1ccc(CC(=O)N2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000067908694 441695367 /nfs/dbraw/zinc/69/53/67/441695367.db2.gz AYLUORFYDZYSNO-UHFFFAOYSA-N 1 0 333.388 1.700 20 5 EDBDRO O=C([C@H]1CC12CC[NH2+]CC2)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000137256656 441759687 /nfs/dbraw/zinc/75/96/87/441759687.db2.gz XUKWLUXIEOXBDR-TZMCWYRMSA-N 1 0 345.403 1.392 20 5 EDBDRO Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCC(C)(C)[NH3+])ccc1[N+](=O)[O-] ZINC000160076077 441857805 /nfs/dbraw/zinc/85/78/05/441857805.db2.gz GXNHMGWWSQUCAA-AWEZNQCLSA-N 1 0 348.403 1.361 20 5 EDBDRO Cc1occc1C(=O)NC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174843771 441974450 /nfs/dbraw/zinc/97/44/50/441974450.db2.gz XSMVAMGYJZPPAN-UHFFFAOYSA-N 1 0 347.375 1.587 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@H](O)C1CC1 ZINC000160852526 441928641 /nfs/dbraw/zinc/92/86/41/441928641.db2.gz SIEBSNWKFQCJND-AWEZNQCLSA-N 1 0 337.376 1.635 20 5 EDBDRO C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[N@@H+]1CCc2ccccc2C1 ZINC000161571268 442013140 /nfs/dbraw/zinc/01/31/40/442013140.db2.gz GCYIIGAMVGSPBN-LBPRGKRZSA-N 1 0 343.387 1.505 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000161720013 442026655 /nfs/dbraw/zinc/02/66/55/442026655.db2.gz WFYDYELWOZJCGI-CQSZACIVSA-N 1 0 337.424 1.584 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000120551575 442092246 /nfs/dbraw/zinc/09/22/46/442092246.db2.gz BGVKXYDCMWUFGN-ZDUSSCGKSA-N 1 0 348.403 1.962 20 5 EDBDRO COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000126843756 442147714 /nfs/dbraw/zinc/14/77/14/442147714.db2.gz PLIQOGYWRBUZGV-ZFWWWQNUSA-N 1 0 346.339 1.963 20 5 EDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000176246791 442199753 /nfs/dbraw/zinc/19/97/53/442199753.db2.gz PWINCZPPKVMFGK-HNNXBMFYSA-N 1 0 343.387 1.919 20 5 EDBDRO NC(=O)CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000170734662 442253717 /nfs/dbraw/zinc/25/37/17/442253717.db2.gz PHADSJCJAAEDAP-ZDUSSCGKSA-N 1 0 348.403 1.901 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000170736692 442254785 /nfs/dbraw/zinc/25/47/85/442254785.db2.gz KGQJHRQIICTFPO-LLVKDONJSA-N 1 0 343.380 1.593 20 5 EDBDRO C[NH+](C)CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12 ZINC000169677315 442226448 /nfs/dbraw/zinc/22/64/48/442226448.db2.gz ZKBJJKRIMDDCOZ-RDJZCZTQSA-N 1 0 346.431 1.804 20 5 EDBDRO C[C@@]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)(C(N)=O)c1ccccc1 ZINC000170644379 442240367 /nfs/dbraw/zinc/24/03/67/442240367.db2.gz QUSUNEBOOSVMOZ-KRWDZBQOSA-N 1 0 329.356 1.964 20 5 EDBDRO CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2c[nH+]ccc21 ZINC000176977613 442279842 /nfs/dbraw/zinc/27/98/42/442279842.db2.gz QIYWRRMBKUOZOL-UHFFFAOYSA-N 1 0 334.357 1.635 20 5 EDBDRO Cc1c(CC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000134117412 442451746 /nfs/dbraw/zinc/45/17/46/442451746.db2.gz UGFUUPIUJGEOSE-MRXNPFEDSA-N 1 0 349.431 1.799 20 5 EDBDRO C[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000180430774 442601583 /nfs/dbraw/zinc/60/15/83/442601583.db2.gz DUBFOQCREPFYPF-STQMWFEESA-N 1 0 341.433 1.917 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000192925113 442698802 /nfs/dbraw/zinc/69/88/02/442698802.db2.gz ZGMUENHWOKHBOT-AWEZNQCLSA-N 1 0 335.404 1.990 20 5 EDBDRO COc1ccc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000193205793 442722104 /nfs/dbraw/zinc/72/21/04/442722104.db2.gz DXAYJNLGJFEZNE-UHFFFAOYSA-N 1 0 345.421 1.470 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000188214930 442725435 /nfs/dbraw/zinc/72/54/35/442725435.db2.gz HHWPJVWBIWTGDZ-UHFFFAOYSA-N 1 0 348.403 1.784 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000193239793 442725605 /nfs/dbraw/zinc/72/56/05/442725605.db2.gz WWBFLJWJUJDNJU-VXGBXAGGSA-N 1 0 327.406 1.760 20 5 EDBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1cnccn1 ZINC000189085396 442874570 /nfs/dbraw/zinc/87/45/70/442874570.db2.gz WGDKVCKKFPXITQ-UHFFFAOYSA-N 1 0 333.323 1.985 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000268187654 442889562 /nfs/dbraw/zinc/88/95/62/442889562.db2.gz DIXXYNFSWWIKPH-JQWIXIFHSA-N 1 0 343.405 1.174 20 5 EDBDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000182322725 318504135 /nfs/dbraw/zinc/50/41/35/318504135.db2.gz QNWNCIGIKWWANN-GJZGRUSLSA-N 1 0 342.417 1.916 20 5 EDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[C@H]1[NH+](C)C ZINC000268258556 442921543 /nfs/dbraw/zinc/92/15/43/442921543.db2.gz QUQJSMVWDUKAFV-IAQYHMDHSA-N 1 0 334.376 1.938 20 5 EDBDRO C[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000268284407 442931969 /nfs/dbraw/zinc/93/19/69/442931969.db2.gz XEKNHLMJLRZFPB-QMTHXVAHSA-N 1 0 327.406 1.385 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000248878827 442933957 /nfs/dbraw/zinc/93/39/57/442933957.db2.gz CUMKAXXLMVWODT-OLZOCXBDSA-N 1 0 339.392 1.295 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC[N@@H+]1CCCOCC1 ZINC000189394179 442938788 /nfs/dbraw/zinc/93/87/88/442938788.db2.gz FMFDVGJXWMOYDX-UHFFFAOYSA-N 1 0 341.795 1.629 20 5 EDBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000294944451 318631814 /nfs/dbraw/zinc/63/18/14/318631814.db2.gz ACAIZXJWNKFYQZ-NWDGAFQWSA-N 1 0 348.403 1.371 20 5 EDBDRO NC(=O)c1cc([C@@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000266123618 443025073 /nfs/dbraw/zinc/02/50/73/443025073.db2.gz CHJASBLPDRFJMN-CYBMUJFWSA-N 1 0 343.387 1.839 20 5 EDBDRO CC(C)S(=O)(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000266204340 443056571 /nfs/dbraw/zinc/05/65/71/443056571.db2.gz OXHAHJRTBMTDPV-UHFFFAOYSA-N 1 0 341.433 1.887 20 5 EDBDRO CCN1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000190189595 443068796 /nfs/dbraw/zinc/06/87/96/443068796.db2.gz BOPAHNPQRZHDPN-UHFFFAOYSA-N 1 0 334.376 1.478 20 5 EDBDRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000184803200 443078699 /nfs/dbraw/zinc/07/86/99/443078699.db2.gz VJTXKLTZPKEOSR-GRYCIOLGSA-N 1 0 334.376 1.556 20 5 EDBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)C[C@@H]12 ZINC000185099584 443136363 /nfs/dbraw/zinc/13/63/63/443136363.db2.gz NAZRCAIEFZDNJL-LYRGGWFBSA-N 1 0 341.371 1.590 20 5 EDBDRO Cc1c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000184945962 443103747 /nfs/dbraw/zinc/10/37/47/443103747.db2.gz XJUFQWDIQRQTSA-CYZMBNFOSA-N 1 0 348.359 1.929 20 5 EDBDRO C[C@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[NH2+]1 ZINC000237751362 443181254 /nfs/dbraw/zinc/18/12/54/443181254.db2.gz LTGHTFTWDHOFHW-AWEZNQCLSA-N 1 0 335.407 1.975 20 5 EDBDRO Cn1cc(C(=O)N2CCC[C@H](C[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237882073 443185728 /nfs/dbraw/zinc/18/57/28/443185728.db2.gz HUQJRWKPFMTDDF-GFCCVEGCSA-N 1 0 343.387 1.806 20 5 EDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000237903033 443187654 /nfs/dbraw/zinc/18/76/54/443187654.db2.gz IRWPVKFYOOLINF-JSGCOSHPSA-N 1 0 327.406 1.532 20 5 EDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237923213 443188650 /nfs/dbraw/zinc/18/86/50/443188650.db2.gz VTHUJMRHGDVMMN-LBPRGKRZSA-N 1 0 329.360 1.652 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000323347975 318942248 /nfs/dbraw/zinc/94/22/48/318942248.db2.gz ROLRRHLQZAMSIP-QMTHXVAHSA-N 1 0 343.405 1.209 20 5 EDBDRO CCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCCO1 ZINC000245458318 443229916 /nfs/dbraw/zinc/22/99/16/443229916.db2.gz UTSVMMLTMLOPCZ-CABCVRRESA-N 1 0 326.397 1.433 20 5 EDBDRO [NH3+][C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000269139102 443210059 /nfs/dbraw/zinc/21/00/59/443210059.db2.gz TYNLSABWYJSLEN-SSDOTTSWSA-N 1 0 332.129 1.670 20 5 EDBDRO O=[N+]([O-])c1cnn(CCc2nc(-c3ccn4c[nH+]cc4c3)no2)c1 ZINC000351112685 319093300 /nfs/dbraw/zinc/09/33/00/319093300.db2.gz XFDTYVZYRJNZBZ-UHFFFAOYSA-N 1 0 325.288 1.732 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000382435076 319123509 /nfs/dbraw/zinc/12/35/09/319123509.db2.gz VAKPRLGZYGAZET-UWVGGRQHSA-N 1 0 347.824 1.962 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000382497361 319124058 /nfs/dbraw/zinc/12/40/58/319124058.db2.gz JUQLLAXZTJYJOS-UWVGGRQHSA-N 1 0 329.378 1.009 20 5 EDBDRO CC[N@@H+]1CC[C@H](CNC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC000411558210 319184832 /nfs/dbraw/zinc/18/48/32/319184832.db2.gz SPQRORHIIVTIQY-LLVKDONJSA-N 1 0 339.367 1.743 20 5 EDBDRO C[C@H]([NH2+][C@@H](CO)[C@@H]1CCCOC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411995514 319219745 /nfs/dbraw/zinc/21/97/45/319219745.db2.gz QADSWGBSTLGNSW-ZOWXZIJZSA-N 1 0 337.376 1.299 20 5 EDBDRO C[NH+]1CCN(c2ccc(CNc3ncc([N+](=O)[O-])cc3F)cn2)CC1 ZINC000413042473 319259044 /nfs/dbraw/zinc/25/90/44/319259044.db2.gz LTAYGXGRPPOBHB-UHFFFAOYSA-N 1 0 346.366 1.888 20 5 EDBDRO Cc1ccc(N(C)C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)nn1 ZINC000266884346 443278897 /nfs/dbraw/zinc/27/88/97/443278897.db2.gz BRTMTBGJMJDQPR-UHFFFAOYSA-N 1 0 345.407 1.491 20 5 EDBDRO Cn1cc([C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@H]2CO)cn1 ZINC000282453835 443344606 /nfs/dbraw/zinc/34/46/06/443344606.db2.gz JBPZWJPEESQGCG-KBPBESRZSA-N 1 0 334.351 1.675 20 5 EDBDRO CC[N@H+](CCOCCO)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000282419842 443333986 /nfs/dbraw/zinc/33/39/86/443333986.db2.gz DRXGUALIOCNYFT-UHFFFAOYSA-N 1 0 348.403 1.826 20 5 EDBDRO COc1cc(C(=O)N(C)CC[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000267144185 443356255 /nfs/dbraw/zinc/35/62/55/443356255.db2.gz VCYDMVJLOZJNSN-UHFFFAOYSA-N 1 0 347.318 1.838 20 5 EDBDRO C[NH+]1CCN(CCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000267463525 443466491 /nfs/dbraw/zinc/46/64/91/443466491.db2.gz OVLGCHMHPWRWKX-UHFFFAOYSA-N 1 0 340.811 1.616 20 5 EDBDRO C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000273449449 443573923 /nfs/dbraw/zinc/57/39/23/443573923.db2.gz OMWUWBFIEHZAJM-OLZOCXBDSA-N 1 0 341.433 1.441 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272430569 443622971 /nfs/dbraw/zinc/62/29/71/443622971.db2.gz YWIDTHLXTLGCLG-UFBFGSQYSA-N 1 0 347.400 1.812 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000279851748 443632878 /nfs/dbraw/zinc/63/28/78/443632878.db2.gz SAVMVSPHJFBRGS-AWEZNQCLSA-N 1 0 337.376 1.635 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](CO)C(C)(C)C ZINC000265425244 443638287 /nfs/dbraw/zinc/63/82/87/443638287.db2.gz KURUYNDBQBQPKW-CQSZACIVSA-N 1 0 339.392 1.929 20 5 EDBDRO C[NH2+][C@H](C)CNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000283338061 443605690 /nfs/dbraw/zinc/60/56/90/443605690.db2.gz JXGKTQNDVNOHPR-SNVBAGLBSA-N 1 0 336.348 1.007 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000440809160 320080800 /nfs/dbraw/zinc/08/08/00/320080800.db2.gz RYHCBAPDCGXWRE-ZDUSSCGKSA-N 1 0 341.433 1.961 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000440845196 320083237 /nfs/dbraw/zinc/08/32/37/320083237.db2.gz OBVVQTSKSQSYHZ-NEPJUHHUSA-N 1 0 327.406 1.569 20 5 EDBDRO C[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[N@@H+]1CC(C)(C)O ZINC000443983130 320118049 /nfs/dbraw/zinc/11/80/49/320118049.db2.gz QWHSRHYMCGZYCH-GFCCVEGCSA-N 1 0 345.403 1.819 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000449727284 320202335 /nfs/dbraw/zinc/20/23/35/320202335.db2.gz PDSRNRCQKNNPRU-MNOVXSKESA-N 1 0 330.348 1.033 20 5 EDBDRO C[C@H](C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000459813189 320350041 /nfs/dbraw/zinc/35/00/41/320350041.db2.gz SDKTWMLEGWAPTK-YPMHNXCESA-N 1 0 342.396 1.062 20 5 EDBDRO CC(C)[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487983558 320357060 /nfs/dbraw/zinc/35/70/60/320357060.db2.gz VVWSKDHHNBAOCP-HOCLYGCPSA-N 1 0 337.420 1.607 20 5 EDBDRO C[C@@H](CO)[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000276487606 443723276 /nfs/dbraw/zinc/72/32/76/443723276.db2.gz UMQUIAGYBPZUSQ-BBRMVZONSA-N 1 0 338.404 1.960 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000298336137 443749936 /nfs/dbraw/zinc/74/99/36/443749936.db2.gz ZZZXOUUHCCSIRA-ZDUSSCGKSA-N 1 0 348.403 1.560 20 5 EDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000288126594 443779315 /nfs/dbraw/zinc/77/93/15/443779315.db2.gz KJXTULGMRYQZFO-DOMZBBRYSA-N 1 0 346.387 1.619 20 5 EDBDRO C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285173573 443882759 /nfs/dbraw/zinc/88/27/59/443882759.db2.gz MZWXCILIUYUREZ-CMPLNLGQSA-N 1 0 342.421 1.252 20 5 EDBDRO CC(C)(CO)[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000293180461 443945176 /nfs/dbraw/zinc/94/51/76/443945176.db2.gz VYEFCBPNGXNMSI-QGZVFWFLSA-N 1 0 347.415 1.871 20 5 EDBDRO COC(=O)CC[C@@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000288797486 443986314 /nfs/dbraw/zinc/98/63/14/443986314.db2.gz RIDZTMCVJWRRFH-CQSZACIVSA-N 1 0 337.376 1.612 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](O)CC2)c([N+](=O)[O-])c1 ZINC000293336578 443987369 /nfs/dbraw/zinc/98/73/69/443987369.db2.gz YLLPPGMFKFSWNM-LBPRGKRZSA-N 1 0 337.376 1.779 20 5 EDBDRO CCCN(CCn1cc([N+](=O)[O-])ccc1=O)CC[NH+]1CCCCC1 ZINC000285445827 443987550 /nfs/dbraw/zinc/98/75/50/443987550.db2.gz IQNBABKVOYJMPU-UHFFFAOYSA-N 1 0 336.436 1.954 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCOC[C@H]1C ZINC000277485162 443991950 /nfs/dbraw/zinc/99/19/50/443991950.db2.gz OLEPTHRLZGVYMU-YPMHNXCESA-N 1 0 337.376 1.947 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@H](C)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000548043284 320857889 /nfs/dbraw/zinc/85/78/89/320857889.db2.gz HRHRBCKHTNLHHB-LBPRGKRZSA-N 1 0 327.406 1.666 20 5 EDBDRO COCC[N@@H+]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000299247229 443995355 /nfs/dbraw/zinc/99/53/55/443995355.db2.gz PUSWYPCIODCDIQ-UHFFFAOYSA-N 1 0 337.376 1.154 20 5 EDBDRO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000285468626 443996268 /nfs/dbraw/zinc/99/62/68/443996268.db2.gz BVIRNZBWBXMHSL-OAHLLOKOSA-N 1 0 341.433 1.493 20 5 EDBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ncc([N+](=O)[O-])s1 ZINC000281798386 444008163 /nfs/dbraw/zinc/00/81/63/444008163.db2.gz FXCAVVYJHAMFDC-SNVBAGLBSA-N 1 0 327.410 1.406 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000299303627 444012010 /nfs/dbraw/zinc/01/20/10/444012010.db2.gz RWISEDBLYKSMEX-JHJVBQTASA-N 1 0 337.424 1.582 20 5 EDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000281865779 444027176 /nfs/dbraw/zinc/02/71/76/444027176.db2.gz DUQQVZUYMIEOQN-ZDUSSCGKSA-N 1 0 343.387 1.982 20 5 EDBDRO CN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000281876255 444029172 /nfs/dbraw/zinc/02/91/72/444029172.db2.gz NUOYIOZDFGDPTH-UHFFFAOYSA-N 1 0 342.421 1.164 20 5 EDBDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])nc2)C1 ZINC000554891310 320959849 /nfs/dbraw/zinc/95/98/49/320959849.db2.gz SHKXKFGOPRIHRA-LLVKDONJSA-N 1 0 345.363 1.106 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000299539009 444074230 /nfs/dbraw/zinc/07/42/30/444074230.db2.gz UBEDWAMZBXRVSM-STQMWFEESA-N 1 0 337.424 1.726 20 5 EDBDRO O=C1NC(=O)C2(CCC([NH2+]CCOc3ccc([N+](=O)[O-])cc3)CC2)N1 ZINC000556913988 320997010 /nfs/dbraw/zinc/99/70/10/320997010.db2.gz VUSCSPIAPXRMCK-UHFFFAOYSA-N 1 0 348.359 1.084 20 5 EDBDRO COc1cc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1C ZINC000564854926 321151845 /nfs/dbraw/zinc/15/18/45/321151845.db2.gz UGCKHVMPUSUQRU-HNNXBMFYSA-N 1 0 334.376 1.302 20 5 EDBDRO COc1ccc(CC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000566100007 321214427 /nfs/dbraw/zinc/21/44/27/321214427.db2.gz ORLRDKXBIUUWJE-IHRRRGAJSA-N 1 0 333.388 1.732 20 5 EDBDRO Cc1cc(C)n(CCC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000568787927 321306999 /nfs/dbraw/zinc/30/69/99/321306999.db2.gz TYMMENXXDGZCSJ-OAHLLOKOSA-N 1 0 348.403 1.828 20 5 EDBDRO Cc1nn(C)c(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000568984546 321312885 /nfs/dbraw/zinc/31/28/85/321312885.db2.gz NSVWJFDKMCZPDJ-QWHCGFSZSA-N 1 0 347.350 1.343 20 5 EDBDRO CCc1ccc(S(=O)(=O)N(C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000568999865 321314404 /nfs/dbraw/zinc/31/44/04/321314404.db2.gz WNRLNLVQPMCKQH-UHFFFAOYSA-N 1 0 327.406 1.530 20 5 EDBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000570570335 321348573 /nfs/dbraw/zinc/34/85/73/321348573.db2.gz VEQSHNKVCSGEKA-MFKMUULPSA-N 1 0 325.390 1.625 20 5 EDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000571321365 321382413 /nfs/dbraw/zinc/38/24/13/321382413.db2.gz HYXUCVAIZLMAOW-CHWSQXEVSA-N 1 0 335.408 1.552 20 5 EDBDRO CCC[NH+]1CCC(N(C)c2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1 ZINC000301109441 444145996 /nfs/dbraw/zinc/14/59/96/444145996.db2.gz JKBWNFKQSWCOBB-UHFFFAOYSA-N 1 0 345.403 1.913 20 5 EDBDRO CS[C@@H](CO)[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000574083662 321468608 /nfs/dbraw/zinc/46/86/08/321468608.db2.gz GGQRMNXFAIBWMO-MFKMUULPSA-N 1 0 327.406 1.625 20 5 EDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301299819 444162159 /nfs/dbraw/zinc/16/21/59/444162159.db2.gz QKZVMVLLPYESTE-GFCCVEGCSA-N 1 0 331.376 1.381 20 5 EDBDRO CC1=CC[N@H+](CCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000302150074 444206183 /nfs/dbraw/zinc/20/61/83/444206183.db2.gz LEADJTNFDKHJPC-UHFFFAOYSA-N 1 0 340.405 1.306 20 5 EDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@@H+]1CCO ZINC000302390965 444212528 /nfs/dbraw/zinc/21/25/28/444212528.db2.gz IIPIOFPDBHSLSR-SNVBAGLBSA-N 1 0 331.319 1.699 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000574916413 321507869 /nfs/dbraw/zinc/50/78/69/321507869.db2.gz OICHKDRTNMOKPN-OLZOCXBDSA-N 1 0 339.417 1.387 20 5 EDBDRO Cc1cccc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000302519115 444215559 /nfs/dbraw/zinc/21/55/59/444215559.db2.gz WUOMDGNVDLVMCW-UHFFFAOYSA-N 1 0 332.404 1.648 20 5 EDBDRO CCOC(=O)c1cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000301640610 444183241 /nfs/dbraw/zinc/18/32/41/444183241.db2.gz GKFBQDGSGDSSPX-CABCVRRESA-N 1 0 335.360 1.291 20 5 EDBDRO COc1ccc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000575981804 321538019 /nfs/dbraw/zinc/53/80/19/321538019.db2.gz YVLWNDRMABSQMF-CYBMUJFWSA-N 1 0 338.339 1.132 20 5 EDBDRO Cc1nc(C)c(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000576271984 321552300 /nfs/dbraw/zinc/55/23/00/321552300.db2.gz NMHURDXWSLUDHH-GFCCVEGCSA-N 1 0 325.394 1.058 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301921518 444196846 /nfs/dbraw/zinc/19/68/46/444196846.db2.gz JOGHPIXEYPOKOY-NXEZZACHSA-N 1 0 328.394 1.137 20 5 EDBDRO O=C1CCCN1C[C@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000305130782 444260034 /nfs/dbraw/zinc/26/00/34/444260034.db2.gz JTOAGRAHAORMNA-INIZCTEOSA-N 1 0 333.388 1.543 20 5 EDBDRO CC[N@H+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000302825241 444225993 /nfs/dbraw/zinc/22/59/93/444225993.db2.gz MHOJSUVCKQMHHP-LBPRGKRZSA-N 1 0 327.406 1.529 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000577172182 321629035 /nfs/dbraw/zinc/62/90/35/321629035.db2.gz LEWZRGLLKGABKN-QWHCGFSZSA-N 1 0 332.360 1.205 20 5 EDBDRO C[C@@H](c1cnn(C)c1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000305838500 444282925 /nfs/dbraw/zinc/28/29/25/444282925.db2.gz QPEWOSFSMHVJOY-WFASDCNBSA-N 1 0 334.376 1.761 20 5 EDBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000290605405 444300343 /nfs/dbraw/zinc/30/03/43/444300343.db2.gz AYVYNYKAYCYXNJ-LBPRGKRZSA-N 1 0 326.401 1.211 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000322420032 444339640 /nfs/dbraw/zinc/33/96/40/444339640.db2.gz LLKOVMIHOOOQHZ-CMPLNLGQSA-N 1 0 343.405 1.351 20 5 EDBDRO CC(C)([NH3+])c1noc(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000326107024 444372803 /nfs/dbraw/zinc/37/28/03/444372803.db2.gz CAMVWCLRJKLXER-UHFFFAOYSA-N 1 0 329.320 1.478 20 5 EDBDRO C[N@@H+]1CCCC[C@@H]1CCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298041455 444395282 /nfs/dbraw/zinc/39/52/82/444395282.db2.gz HIPVKPRZICWTHE-OAHLLOKOSA-N 1 0 333.436 1.986 20 5 EDBDRO [NH3+][C@@H]1C[C@@H]2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CCN2C1=O ZINC000579252681 321909656 /nfs/dbraw/zinc/90/96/56/321909656.db2.gz AHMNVTQQINTNLN-NXEZZACHSA-N 1 0 344.293 1.362 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CCC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000579830813 321975482 /nfs/dbraw/zinc/97/54/82/321975482.db2.gz UIXLLDWEPVUOMX-NSHDSACASA-N 1 0 335.360 1.582 20 5 EDBDRO C[N@H+]1C[C@H]2CN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)C[C@H]2C1 ZINC000580270921 322028732 /nfs/dbraw/zinc/02/87/32/322028732.db2.gz RCEVWCQIUGDASU-AOOOYVTPSA-N 1 0 325.315 1.436 20 5 EDBDRO Cc1nccn1C[C@@H](C)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580423251 322048550 /nfs/dbraw/zinc/04/85/50/322048550.db2.gz KVOLIIGSEPQJRU-XJKSGUPXSA-N 1 0 348.403 1.765 20 5 EDBDRO C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000580436851 322051075 /nfs/dbraw/zinc/05/10/75/322051075.db2.gz XDRIHNAKOZJXJA-UAKXVISKSA-N 1 0 336.323 1.403 20 5 EDBDRO CC(=O)N1CCC([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000338057984 444502499 /nfs/dbraw/zinc/50/24/99/444502499.db2.gz XNYJEWUSTALLCC-GFCCVEGCSA-N 1 0 348.403 1.912 20 5 EDBDRO C[C@H](CN1CCCCC1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000581963753 322238817 /nfs/dbraw/zinc/23/88/17/322238817.db2.gz LUDWRFNIUITANJ-GDBMZVCRSA-N 1 0 337.420 1.799 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000332654423 444524461 /nfs/dbraw/zinc/52/44/61/444524461.db2.gz YYPYKSJRXYYPKD-QWRGUYRKSA-N 1 0 335.360 1.579 20 5 EDBDRO CNC(=O)N[C@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000342365793 444658314 /nfs/dbraw/zinc/65/83/14/444658314.db2.gz VQUNLWCYXKRHAZ-LBPRGKRZSA-N 1 0 349.391 1.235 20 5 EDBDRO NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CCNc1ccccc1[N+](=O)[O-] ZINC000342408210 444679634 /nfs/dbraw/zinc/67/96/34/444679634.db2.gz IIPMMPNNCBLNNY-HNNXBMFYSA-N 1 0 346.362 1.832 20 5 EDBDRO O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000344052670 444751705 /nfs/dbraw/zinc/75/17/05/444751705.db2.gz IKKVZMIBYYZRPS-DUVNUKRYSA-N 1 0 331.372 1.187 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000341323112 444778428 /nfs/dbraw/zinc/77/84/28/444778428.db2.gz TVLPAGUYMNBOMQ-MLGOLLRUSA-N 1 0 347.419 1.789 20 5 EDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336787047 444795890 /nfs/dbraw/zinc/79/58/90/444795890.db2.gz DEIAYPCHPGWZLI-ZDUSSCGKSA-N 1 0 341.371 1.576 20 5 EDBDRO CCOC(=O)CN1CCCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000338661015 444796693 /nfs/dbraw/zinc/79/66/93/444796693.db2.gz AFMMTDPEGCZWOL-UHFFFAOYSA-N 1 0 337.376 1.679 20 5 EDBDRO C[C@H]1[C@@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000344132972 444799550 /nfs/dbraw/zinc/79/95/50/444799550.db2.gz XVUKHQRJBSSWMB-WFASDCNBSA-N 1 0 341.433 1.539 20 5 EDBDRO Cc1nn(CCC(=O)NCCC[N@@H+](C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000338680387 444805538 /nfs/dbraw/zinc/80/55/38/444805538.db2.gz XEGJGYXVMARHRV-UHFFFAOYSA-N 1 0 325.413 1.645 20 5 EDBDRO Cc1c(Br)c(=O)n(CCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000165418215 533706342 /nfs/dbraw/zinc/70/63/42/533706342.db2.gz YWDJDIBEILTZBQ-UHFFFAOYSA-N 1 0 330.182 1.970 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342922314 444943100 /nfs/dbraw/zinc/94/31/00/444943100.db2.gz WJLCLUGYCSJPFE-LLVKDONJSA-N 1 0 332.360 1.527 20 5 EDBDRO Cc1[nH]nc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)c1[N+](=O)[O-] ZINC000337242723 445000550 /nfs/dbraw/zinc/00/05/50/445000550.db2.gz HEFLAVAGAWGHAI-UHFFFAOYSA-N 1 0 332.364 1.225 20 5 EDBDRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000341815941 445014343 /nfs/dbraw/zinc/01/43/43/445014343.db2.gz SFWNEAUFRZZMAJ-LBPRGKRZSA-N 1 0 336.392 1.688 20 5 EDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC1(O)CCS(=O)(=O)CC1 ZINC000330603623 445055978 /nfs/dbraw/zinc/05/59/78/445055978.db2.gz HXKAJYVCLFVVOY-UHFFFAOYSA-N 1 0 342.417 1.009 20 5 EDBDRO CC(=O)N1CCC([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000330665344 445087029 /nfs/dbraw/zinc/08/70/29/445087029.db2.gz HBHWCPVMZOZOBJ-INIZCTEOSA-N 1 0 346.387 1.301 20 5 EDBDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000330719987 445111011 /nfs/dbraw/zinc/11/10/11/445111011.db2.gz WSFHVESYCBDOPO-QMTHXVAHSA-N 1 0 341.795 1.775 20 5 EDBDRO Cn1c(C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000342006072 445119787 /nfs/dbraw/zinc/11/97/87/445119787.db2.gz BQZREBDBHLAPPG-UHFFFAOYSA-N 1 0 346.387 1.843 20 5 EDBDRO Cn1nccc1[C@H]1[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCC[N@@H+]1C ZINC000343355169 445208507 /nfs/dbraw/zinc/20/85/07/445208507.db2.gz RBMDTHFUUQHTSZ-XHDPSFHLSA-N 1 0 346.391 1.469 20 5 EDBDRO Cn1nccc1[C@@H]1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC(=O)N1C ZINC000343445354 445224042 /nfs/dbraw/zinc/22/40/42/445224042.db2.gz DMFOHOBZSKEKMN-CJNGLKHVSA-N 1 0 329.360 1.390 20 5 EDBDRO CC1CC[NH+](C[C@H](O)CNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347461376 445239033 /nfs/dbraw/zinc/23/90/33/445239033.db2.gz JFDZDPLTRCBESI-CYBMUJFWSA-N 1 0 345.403 2.043 20 5 EDBDRO CCOC(=O)c1ccnc(N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000348175555 445304430 /nfs/dbraw/zinc/30/44/30/445304430.db2.gz OLYKGEHRTZDNMQ-GFCCVEGCSA-N 1 0 334.376 1.839 20 5 EDBDRO COc1ccc(NC(=O)CN(C)[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000348185868 445309853 /nfs/dbraw/zinc/30/98/53/445309853.db2.gz ABIGPAXMXCJNJB-ZDUSSCGKSA-N 1 0 348.403 1.710 20 5 EDBDRO Cn1cc(C[N@H+](C)[C@H]2COC[C@@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000348648130 445343901 /nfs/dbraw/zinc/34/39/01/445343901.db2.gz RIDRMYCUXPWUBM-GJZGRUSLSA-N 1 0 332.360 1.187 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000354716057 445349079 /nfs/dbraw/zinc/34/90/79/445349079.db2.gz UGTGZQSWGJVFPU-OCCSQVGLSA-N 1 0 348.403 1.339 20 5 EDBDRO Cc1ccc(CN2CCC(CNS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000348709012 445350398 /nfs/dbraw/zinc/35/03/98/445350398.db2.gz BAXITBQLMPZYNO-UHFFFAOYSA-N 1 0 341.433 1.664 20 5 EDBDRO CC[NH+](CC)CC1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000348754713 445363111 /nfs/dbraw/zinc/36/31/11/445363111.db2.gz KVHIVFNECLBZQL-UHFFFAOYSA-N 1 0 337.424 1.762 20 5 EDBDRO C[C@@H]1[C@H](C)N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000357002546 445370867 /nfs/dbraw/zinc/37/08/67/445370867.db2.gz NPASWXNVFSCZKY-OLZOCXBDSA-N 1 0 332.404 1.508 20 5 EDBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])nn1C)[N@H+](C)Cc1ccccc1 ZINC000357058783 445400764 /nfs/dbraw/zinc/40/07/64/445400764.db2.gz RYKCIOISXWJRER-ZDUSSCGKSA-N 1 0 345.403 1.969 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000357063630 445403282 /nfs/dbraw/zinc/40/32/82/445403282.db2.gz GGVDKWPVZJHHRD-NWDGAFQWSA-N 1 0 336.392 1.566 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccc(C)c3[N+](=O)[O-])[C@H]2C1 ZINC000355370798 445456399 /nfs/dbraw/zinc/45/63/99/445456399.db2.gz QSXZCMSKBYMRIK-GJZGRUSLSA-N 1 0 333.388 1.838 20 5 EDBDRO CCc1nc(CN2CCCN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CC2)cs1 ZINC000363491523 445828426 /nfs/dbraw/zinc/82/84/26/445828426.db2.gz XBXRYNJBNSCDML-OLZOCXBDSA-N 1 0 338.433 1.405 20 5 EDBDRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CC2)cc1 ZINC000361634395 445859567 /nfs/dbraw/zinc/85/95/67/445859567.db2.gz CSHAJPDORISCKK-CVEARBPZSA-N 1 0 333.388 1.395 20 5 EDBDRO CN(CC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000361813959 445967494 /nfs/dbraw/zinc/96/74/94/445967494.db2.gz LHJQIVQFQJZYSP-AWEZNQCLSA-N 1 0 332.404 1.726 20 5 EDBDRO C[C@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000582580647 325876551 /nfs/dbraw/zinc/87/65/51/325876551.db2.gz VCJHAZQPYIEART-LSDHHAIUSA-N 1 0 347.415 1.879 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000356749643 445986191 /nfs/dbraw/zinc/98/61/91/445986191.db2.gz XXNNTKYWUBDQMB-UHFFFAOYSA-N 1 0 335.339 1.329 20 5 EDBDRO CNS(=O)(=O)[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000369287700 446048927 /nfs/dbraw/zinc/04/89/27/446048927.db2.gz JZXSQFUWUKBOTB-ZDUSSCGKSA-N 1 0 327.406 1.417 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000373141674 446056087 /nfs/dbraw/zinc/05/60/87/446056087.db2.gz QHNRCHWPSZAERS-CABCVRRESA-N 1 0 335.404 1.895 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000584231156 326225058 /nfs/dbraw/zinc/22/50/58/326225058.db2.gz DAGWPHRRHPXFMK-CQSZACIVSA-N 1 0 333.388 1.351 20 5 EDBDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000369319918 446071882 /nfs/dbraw/zinc/07/18/82/446071882.db2.gz SBOWEXMMDLIZRC-NSHDSACASA-N 1 0 334.376 1.784 20 5 EDBDRO CSC1(CNC(=O)c2cccc([N+](=O)[O-])c2N)CC[NH+](C)CC1 ZINC000359258342 446093312 /nfs/dbraw/zinc/09/33/12/446093312.db2.gz ISTRGRUUCMTIHJ-UHFFFAOYSA-N 1 0 338.433 1.734 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000351494821 446097994 /nfs/dbraw/zinc/09/79/94/446097994.db2.gz ROFMLAXCRROFCK-CYBMUJFWSA-N 1 0 338.339 1.129 20 5 EDBDRO C[N@@H+]1CCC[C@H](N2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000369359140 446101339 /nfs/dbraw/zinc/10/13/39/446101339.db2.gz PHTDGIWTHUDWRD-KRWDZBQOSA-N 1 0 348.447 1.685 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1C ZINC000370170115 446187252 /nfs/dbraw/zinc/18/72/52/446187252.db2.gz BCQCEJNATROQBA-QWHCGFSZSA-N 1 0 339.417 1.584 20 5 EDBDRO CCO[C@H]1COCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000362019559 446157384 /nfs/dbraw/zinc/15/73/84/446157384.db2.gz VLIMTVNETRBEQV-ZBFHGGJFSA-N 1 0 349.387 1.268 20 5 EDBDRO Cc1c(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000362288563 446307640 /nfs/dbraw/zinc/30/76/40/446307640.db2.gz PZZCFMMRUAQJJK-IAQYHMDHSA-N 1 0 348.359 1.978 20 5 EDBDRO O=C1COc2cc([N+](=O)[O-])c(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2N1 ZINC000370538204 446323157 /nfs/dbraw/zinc/32/31/57/446323157.db2.gz FLDUYYLGZWXPOA-GHMZBOCLSA-N 1 0 332.360 1.964 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000365889347 446388809 /nfs/dbraw/zinc/38/88/09/446388809.db2.gz XDDBAVDNWVLNJK-LBPRGKRZSA-N 1 0 348.403 1.624 20 5 EDBDRO O=C(NCC[C@H]1CCC[NH2+]C1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418082041 446435010 /nfs/dbraw/zinc/43/50/10/446435010.db2.gz HWPHAPVXBBXJIW-LLVKDONJSA-N 1 0 346.391 1.660 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418083279 446435940 /nfs/dbraw/zinc/43/59/40/446435940.db2.gz LBXAQYDJHYJLSO-MNOVXSKESA-N 1 0 344.375 1.222 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418083281 446436177 /nfs/dbraw/zinc/43/61/77/446436177.db2.gz LBXAQYDJHYJLSO-WDEREUQCSA-N 1 0 344.375 1.222 20 5 EDBDRO CS(=O)(=O)c1ccc(NC[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420272116 446442936 /nfs/dbraw/zinc/44/29/36/446442936.db2.gz CXZLKTCEMDGYSE-MNOVXSKESA-N 1 0 327.406 1.928 20 5 EDBDRO C[C@H]1CCCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000420295318 446457025 /nfs/dbraw/zinc/45/70/25/446457025.db2.gz VFQOGDPQRZDUDE-SWLSCSKDSA-N 1 0 341.433 1.428 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420322822 446490148 /nfs/dbraw/zinc/49/01/48/446490148.db2.gz FNJBRTCXXLIWMU-AWEZNQCLSA-N 1 0 335.404 1.791 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000411351276 446503060 /nfs/dbraw/zinc/50/30/60/446503060.db2.gz FXVWWHWDXWZVCV-YPMHNXCESA-N 1 0 334.376 1.441 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCO[C@@H](C[NH3+])C1 ZINC000420390017 446565243 /nfs/dbraw/zinc/56/52/43/446565243.db2.gz MYRNVHDKEHIFMR-AWEZNQCLSA-N 1 0 336.392 1.281 20 5 EDBDRO CCCC[C@@H](C[NH3+])NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418456936 446550999 /nfs/dbraw/zinc/55/09/99/446550999.db2.gz DATWPKAXDHCASS-LBPRGKRZSA-N 1 0 336.392 1.885 20 5 EDBDRO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420429159 446604095 /nfs/dbraw/zinc/60/40/95/446604095.db2.gz UAARRUTXJSTPGW-NWDGAFQWSA-N 1 0 327.406 1.136 20 5 EDBDRO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420465617 446642974 /nfs/dbraw/zinc/64/29/74/446642974.db2.gz VXCJJSRYFXHFLP-GXTWGEPZSA-N 1 0 327.406 1.184 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420477950 446650799 /nfs/dbraw/zinc/65/07/99/446650799.db2.gz KJJAQFNOZUKSQO-AAEUAGOBSA-N 1 0 341.433 1.817 20 5 EDBDRO CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000423727291 446663348 /nfs/dbraw/zinc/66/33/48/446663348.db2.gz QYMDSDNBMSUXSG-WBMJQRKESA-N 1 0 347.375 1.942 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCC[NH2+]C2CC2)c1 ZINC000420453067 446630071 /nfs/dbraw/zinc/63/00/71/446630071.db2.gz UEXJOGJWTUHVSO-UHFFFAOYSA-N 1 0 327.406 1.632 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000411941549 446750420 /nfs/dbraw/zinc/75/04/20/446750420.db2.gz LQDUHZJRHMWLKG-STQMWFEESA-N 1 0 348.403 1.640 20 5 EDBDRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)CN1 ZINC000371308127 446762819 /nfs/dbraw/zinc/76/28/19/446762819.db2.gz LGUYAGXWOCKJOM-BBRMVZONSA-N 1 0 333.388 1.964 20 5 EDBDRO Cc1c(C(=O)N(C)[C@H](C[NH3+])C2CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000423940320 446790242 /nfs/dbraw/zinc/79/02/42/446790242.db2.gz AFGKTWGPYFJRDF-CQSZACIVSA-N 1 0 344.375 1.293 20 5 EDBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000375493264 446846275 /nfs/dbraw/zinc/84/62/75/446846275.db2.gz AXHLCCXWVWYZHB-LLVKDONJSA-N 1 0 341.795 1.777 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442769612 446959252 /nfs/dbraw/zinc/95/92/52/446959252.db2.gz VTXCJAFCWJBRFX-ONXXMXGDSA-N 1 0 348.403 1.757 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000419156475 446973992 /nfs/dbraw/zinc/97/39/92/446973992.db2.gz CATDUFLMGSKHCP-ZLDLUXBVSA-N 1 0 348.403 1.358 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000419162710 446980268 /nfs/dbraw/zinc/98/02/68/446980268.db2.gz KKKDDKRPAUPDIP-AWEZNQCLSA-N 1 0 348.403 1.373 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000444166647 447085202 /nfs/dbraw/zinc/08/52/02/447085202.db2.gz JRZLQRYMUNRWDZ-UHFFFAOYSA-N 1 0 329.422 1.745 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000421372718 447144767 /nfs/dbraw/zinc/14/47/67/447144767.db2.gz LPEXWATZBAELBQ-YPMHNXCESA-N 1 0 338.360 1.492 20 5 EDBDRO CCCCOC[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000375920373 447150301 /nfs/dbraw/zinc/15/03/01/447150301.db2.gz NJATYGVQCJPTER-AWEZNQCLSA-N 1 0 326.397 1.606 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000368816390 447130742 /nfs/dbraw/zinc/13/07/42/447130742.db2.gz KAJYYEYANVFHGB-HNNXBMFYSA-N 1 0 348.403 1.248 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000375961348 447176969 /nfs/dbraw/zinc/17/69/69/447176969.db2.gz BCQDMZUPCMAZEV-QGZVFWFLSA-N 1 0 341.367 1.977 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000421521862 447179625 /nfs/dbraw/zinc/17/96/25/447179625.db2.gz AQJUQRFLQPGRIF-HNNXBMFYSA-N 1 0 348.447 1.967 20 5 EDBDRO CCc1ccc(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000372732861 447254129 /nfs/dbraw/zinc/25/41/29/447254129.db2.gz SJHZPKRANYFOKQ-ZDUSSCGKSA-N 1 0 335.404 1.686 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000421800233 447254432 /nfs/dbraw/zinc/25/44/32/447254432.db2.gz GRGSSRFDDAUJCR-UHFFFAOYSA-N 1 0 335.404 1.788 20 5 EDBDRO CN1C(=O)NCC12CC[NH+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000425544102 447222123 /nfs/dbraw/zinc/22/21/23/447222123.db2.gz QFFLOWDWLJGRFS-UHFFFAOYSA-N 1 0 334.376 1.463 20 5 EDBDRO COC(=O)c1cc(C(=O)NCC[N@@H+]2CCCC2(C)C)cc([N+](=O)[O-])c1 ZINC000457081461 447510575 /nfs/dbraw/zinc/51/05/75/447510575.db2.gz VRYIKEJFNOOIKJ-UHFFFAOYSA-N 1 0 349.387 1.986 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415478493 447468453 /nfs/dbraw/zinc/46/84/53/447468453.db2.gz YXYUPATXCYJBIZ-OLZOCXBDSA-N 1 0 346.387 1.503 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000415486245 447474453 /nfs/dbraw/zinc/47/44/53/447474453.db2.gz KXTUZLIFJOIXQE-ZDUSSCGKSA-N 1 0 336.392 1.674 20 5 EDBDRO COc1cc(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000450790865 447577918 /nfs/dbraw/zinc/57/79/18/447577918.db2.gz HRTVEOWPWVOGOJ-SKDRFNHKSA-N 1 0 325.340 1.955 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000450798347 447580586 /nfs/dbraw/zinc/58/05/86/447580586.db2.gz YUGFVAPIDMVGRO-BETUJISGSA-N 1 0 334.376 1.230 20 5 EDBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000420014715 447545796 /nfs/dbraw/zinc/54/57/96/447545796.db2.gz LCDVOKRLFPMONB-CQSZACIVSA-N 1 0 329.784 1.681 20 5 EDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000416292125 447558141 /nfs/dbraw/zinc/55/81/41/447558141.db2.gz IJEBDINOYRSROX-VXGBXAGGSA-N 1 0 346.387 1.603 20 5 EDBDRO [NH3+]CCNC(=O)[C@H]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000420172437 447654073 /nfs/dbraw/zinc/65/40/73/447654073.db2.gz PKVMXBHYDGNKQN-ZDUSSCGKSA-N 1 0 343.387 1.434 20 5 EDBDRO Cn1ccnc1C(=O)c1ccc(NCC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420180592 447657852 /nfs/dbraw/zinc/65/78/52/447657852.db2.gz BSQQXLPJSRFCSL-LBPRGKRZSA-N 1 0 343.387 1.971 20 5 EDBDRO COCC[NH2+]CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000420227205 447677872 /nfs/dbraw/zinc/67/78/72/447677872.db2.gz NHJWCMVHIHCYNT-UHFFFAOYSA-N 1 0 347.375 1.207 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])C[C@@H]12 ZINC000420232522 447680910 /nfs/dbraw/zinc/68/09/10/447680910.db2.gz UQQCYJQEXMHBNO-MRVWCRGKSA-N 1 0 330.388 1.661 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000422841349 447766961 /nfs/dbraw/zinc/76/69/61/447766961.db2.gz CTMRQCHQSHLEAF-TZMCWYRMSA-N 1 0 348.403 1.219 20 5 EDBDRO COc1ccc(NC(=O)CN2CCC[C@@H](C)[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000430556091 447777350 /nfs/dbraw/zinc/77/73/50/447777350.db2.gz QAFOBAQLDSVGCD-ABAIWWIYSA-N 1 0 336.392 1.601 20 5 EDBDRO C[C@H](CO)CCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576030141 447953443 /nfs/dbraw/zinc/95/34/43/447953443.db2.gz OXXMLVAWAHWFLL-LBPRGKRZSA-N 1 0 330.406 1.367 20 5 EDBDRO CNc1nccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000575933699 447932371 /nfs/dbraw/zinc/93/23/71/447932371.db2.gz SODAPIPMONDXMY-DGCLKSJQSA-N 1 0 333.392 1.588 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000525602012 448005900 /nfs/dbraw/zinc/00/59/00/448005900.db2.gz DYJFBVDNKZSKPY-UHFFFAOYSA-N 1 0 339.348 1.022 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1(CF)CCOCC1 ZINC000576458960 448059995 /nfs/dbraw/zinc/05/99/95/448059995.db2.gz DWHQUBWIKURNPH-ZDUSSCGKSA-N 1 0 342.367 1.690 20 5 EDBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000556705033 448137938 /nfs/dbraw/zinc/13/79/38/448137938.db2.gz JPDSVCLYLPJVBO-UHFFFAOYSA-N 1 0 349.387 1.970 20 5 EDBDRO O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000571795591 448208245 /nfs/dbraw/zinc/20/82/45/448208245.db2.gz HDIUOUBHAGGNFQ-UHFFFAOYSA-N 1 0 340.286 1.047 20 5 EDBDRO Cc1cc([N+](=O)[O-])cn(C[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1=O ZINC000591241514 448296927 /nfs/dbraw/zinc/29/69/27/448296927.db2.gz VLJQRANIZQVWJI-INIZCTEOSA-N 1 0 331.372 1.558 20 5 EDBDRO C[NH+](C)CCc1ccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1 ZINC000563379578 448298365 /nfs/dbraw/zinc/29/83/65/448298365.db2.gz ZMPFXUFSNCWJMV-UHFFFAOYSA-N 1 0 329.360 1.928 20 5 EDBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000591377837 448350347 /nfs/dbraw/zinc/35/03/47/448350347.db2.gz IKVZZWKRVUUXOV-GJZGRUSLSA-N 1 0 337.420 1.751 20 5 EDBDRO O=c1[nH]c(N2CCC[C@]3(CC[NH2+]C3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000591440856 448364191 /nfs/dbraw/zinc/36/41/91/448364191.db2.gz RCMKTSQORVKGOB-MRXNPFEDSA-N 1 0 329.360 1.824 20 5 EDBDRO CC[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC[C@H]1[NH3+] ZINC000591346291 448333395 /nfs/dbraw/zinc/33/33/95/448333395.db2.gz PFEZWZRDBAIQOS-SMDDNHRTSA-N 1 0 336.392 1.872 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC000591560841 448391495 /nfs/dbraw/zinc/39/14/95/448391495.db2.gz MZYVPPOXOHOQDP-UHFFFAOYSA-N 1 0 325.390 1.420 20 5 EDBDRO COC(=O)c1cc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)cc([N+](=O)[O-])c1 ZINC000591672634 448442067 /nfs/dbraw/zinc/44/20/67/448442067.db2.gz RBYWKXSOPYBKLX-LLVKDONJSA-N 1 0 343.286 1.565 20 5 EDBDRO C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000578047195 448448932 /nfs/dbraw/zinc/44/89/32/448448932.db2.gz GOQFWQPXGBSBPB-NSHDSACASA-N 1 0 329.360 1.495 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)c1 ZINC000591754302 448481319 /nfs/dbraw/zinc/48/13/19/448481319.db2.gz IJKCDYWXLPAJGC-XBVQOTNRSA-N 1 0 336.388 1.882 20 5 EDBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000517004404 448519384 /nfs/dbraw/zinc/51/93/84/448519384.db2.gz IMIYIWUXLHNFQR-GJZGRUSLSA-N 1 0 348.447 1.841 20 5 EDBDRO CN(C)c1ncc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1C ZINC000578350682 448525550 /nfs/dbraw/zinc/52/55/50/448525550.db2.gz UDTYAOYCDRSLHW-UHFFFAOYSA-N 1 0 346.391 1.513 20 5 EDBDRO COc1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000578521992 448569389 /nfs/dbraw/zinc/56/93/89/448569389.db2.gz VXFNEMPQUPCULY-IUODEOHRSA-N 1 0 332.360 1.438 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000537940614 448575831 /nfs/dbraw/zinc/57/58/31/448575831.db2.gz QJWIVUDVZDSXLV-MNOVXSKESA-N 1 0 343.405 1.335 20 5 EDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000591985221 448611455 /nfs/dbraw/zinc/61/14/55/448611455.db2.gz MIMRLYRIHUGSNR-SNVBAGLBSA-N 1 0 326.784 1.804 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000567166486 448627680 /nfs/dbraw/zinc/62/76/80/448627680.db2.gz AZVYCNKAWQOHJU-JOCQHMNTSA-N 1 0 341.433 1.947 20 5 EDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000573683975 448689106 /nfs/dbraw/zinc/68/91/06/448689106.db2.gz DSDODUDYHAGNPQ-AWEZNQCLSA-N 1 0 346.431 1.927 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H](O)C2CCCCC2)c1 ZINC000518534348 448689601 /nfs/dbraw/zinc/68/96/01/448689601.db2.gz FSJPYHLUOMPEEA-RDJZCZTQSA-N 1 0 338.404 1.865 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000592382273 448814927 /nfs/dbraw/zinc/81/49/27/448814927.db2.gz MLTMQQKVYPAVCI-OCCSQVGLSA-N 1 0 341.433 1.905 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000592363150 448806739 /nfs/dbraw/zinc/80/67/39/448806739.db2.gz FXGHBLKBWHNWNW-LLVKDONJSA-N 1 0 343.405 1.224 20 5 EDBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000592368149 448807978 /nfs/dbraw/zinc/80/79/78/448807978.db2.gz XUJCEJUWKFWSNS-NSHDSACASA-N 1 0 343.405 1.366 20 5 EDBDRO Cn1cc(C(=O)N[C@H]2CCC[NH2+]CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592329882 448793464 /nfs/dbraw/zinc/79/34/64/448793464.db2.gz ATEYDXIQHQHNDI-ZDUSSCGKSA-N 1 0 343.387 1.867 20 5 EDBDRO CC[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1[NH3+] ZINC000592331051 448794514 /nfs/dbraw/zinc/79/45/14/448794514.db2.gz HQHQXWYNGYYMIL-CMPLNLGQSA-N 1 0 335.360 1.565 20 5 EDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2O1 ZINC000574150551 448801312 /nfs/dbraw/zinc/80/13/12/448801312.db2.gz CYCRGMHPLCDFDF-OSAQELSMSA-N 1 0 332.360 1.654 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000592387515 448819813 /nfs/dbraw/zinc/81/98/13/448819813.db2.gz OCCOCUZTZJRUSL-HNNXBMFYSA-N 1 0 339.417 1.667 20 5 EDBDRO C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000574271638 448832896 /nfs/dbraw/zinc/83/28/96/448832896.db2.gz WFEUZMHYQBNVTJ-WDEREUQCSA-N 1 0 330.431 1.852 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC2(CO)CCC2)cc1 ZINC000592430442 448833039 /nfs/dbraw/zinc/83/30/39/448833039.db2.gz OZUNZBSPZKQQAQ-UHFFFAOYSA-N 1 0 328.390 1.121 20 5 EDBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000592431333 448833193 /nfs/dbraw/zinc/83/31/93/448833193.db2.gz TVCDUTKKEROKLQ-AUTRQRHGSA-N 1 0 338.282 1.236 20 5 EDBDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(C)C ZINC000592432741 448834518 /nfs/dbraw/zinc/83/45/18/448834518.db2.gz UQTMGESNWONIIJ-CABCVRRESA-N 1 0 344.433 1.754 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000546626582 448834601 /nfs/dbraw/zinc/83/46/01/448834601.db2.gz NCZOYSIKFUSATF-GFCCVEGCSA-N 1 0 348.403 1.751 20 5 EDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000592442336 448838982 /nfs/dbraw/zinc/83/89/82/448838982.db2.gz MQRQSFRNBFZDSD-RYUDHWBXSA-N 1 0 348.403 1.328 20 5 EDBDRO Cn1c2cc([N+](=O)[O-])c(N3CC[NH+](C4CCC4)CC3)cc2n(C)c1=O ZINC000587977887 448849433 /nfs/dbraw/zinc/84/94/33/448849433.db2.gz RONXIXYVYSUFDH-UHFFFAOYSA-N 1 0 345.403 1.460 20 5 EDBDRO C[C@H]1COCC[N@@H+]1C1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000579728706 448867134 /nfs/dbraw/zinc/86/71/34/448867134.db2.gz IOUSQOBVWVVSKD-ZDUSSCGKSA-N 1 0 335.404 1.986 20 5 EDBDRO NS(=O)(=O)c1cccc(NC[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000568684581 448904696 /nfs/dbraw/zinc/90/46/96/448904696.db2.gz XJENJKVKILRHFG-SNVBAGLBSA-N 1 0 340.405 1.138 20 5 EDBDRO O=C(CC[NH+]1CCN(c2ncc[nH]2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000520700393 448923939 /nfs/dbraw/zinc/92/39/39/448923939.db2.gz FBBIIOHSEOHADB-UHFFFAOYSA-N 1 0 344.375 1.469 20 5 EDBDRO CC1CCC([NH+]2CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC2)CC1 ZINC000580723792 448955666 /nfs/dbraw/zinc/95/56/66/448955666.db2.gz KJHUMIDYQAZODU-UHFFFAOYSA-N 1 0 347.419 1.909 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCCC2(O)CCC2)cc1 ZINC000574802952 448959493 /nfs/dbraw/zinc/95/94/93/448959493.db2.gz DKLLSNLOAHEFCW-UHFFFAOYSA-N 1 0 342.417 1.653 20 5 EDBDRO C[N@@H+]1CC[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000581149070 448968127 /nfs/dbraw/zinc/96/81/27/448968127.db2.gz SWDZQFSHPBLRCK-KBPBESRZSA-N 1 0 341.371 1.747 20 5 EDBDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000569213866 448980591 /nfs/dbraw/zinc/98/05/91/448980591.db2.gz GQKYJNGVQPQICW-BLLLJJGKSA-N 1 0 334.376 1.469 20 5 EDBDRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000588869932 448943024 /nfs/dbraw/zinc/94/30/24/448943024.db2.gz QPPZOKSKXWQXHS-LLVKDONJSA-N 1 0 332.360 1.263 20 5 EDBDRO Cc1c(CC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000592870450 449028116 /nfs/dbraw/zinc/02/81/16/449028116.db2.gz FBWSKYUZIXAGIZ-ZDUSSCGKSA-N 1 0 348.403 1.024 20 5 EDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595608386 449075968 /nfs/dbraw/zinc/07/59/68/449075968.db2.gz OSLPOOWMFRFMGS-STQMWFEESA-N 1 0 344.375 1.535 20 5 EDBDRO O=C(NCCC[C@H]1CCC[NH2+]1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000575108338 449037616 /nfs/dbraw/zinc/03/76/16/449037616.db2.gz WDMPRTJJMZLWTL-CYBMUJFWSA-N 1 0 336.392 1.805 20 5 EDBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1ccc(F)cc1[N+](=O)[O-])CCO2 ZINC000592898610 449042927 /nfs/dbraw/zinc/04/29/27/449042927.db2.gz JOOATYYIBGYREH-UHFFFAOYSA-N 1 0 337.351 1.671 20 5 EDBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593583152 449089882 /nfs/dbraw/zinc/08/98/82/449089882.db2.gz ZLPZJXRJFDJNFM-NWDGAFQWSA-N 1 0 342.421 1.389 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590280593 449123766 /nfs/dbraw/zinc/12/37/66/449123766.db2.gz IKLGUQBDGUXIJV-BXUZGUMPSA-N 1 0 332.360 1.004 20 5 EDBDRO Cc1sc(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000597942942 449152836 /nfs/dbraw/zinc/15/28/36/449152836.db2.gz QMOPOUWTQVALHU-NSHDSACASA-N 1 0 342.465 1.967 20 5 EDBDRO Cn1c(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccn2)ccc1[N+](=O)[O-] ZINC000601804372 449162449 /nfs/dbraw/zinc/16/24/49/449162449.db2.gz KLTGAVNIDHJUIK-UHFFFAOYSA-N 1 0 344.375 1.332 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590442351 449163604 /nfs/dbraw/zinc/16/36/04/449163604.db2.gz FMOSZNOYPALVDQ-XJKSGUPXSA-N 1 0 341.371 1.557 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000590446409 449167107 /nfs/dbraw/zinc/16/71/07/449167107.db2.gz VBSVAMOMWBBQDI-LRDDRELGSA-N 1 0 341.371 1.557 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000590590468 449207021 /nfs/dbraw/zinc/20/70/21/449207021.db2.gz XMLNVKRISPAQOC-TZMCWYRMSA-N 1 0 341.433 1.925 20 5 EDBDRO COCC1([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000590601248 449215222 /nfs/dbraw/zinc/21/52/22/449215222.db2.gz PUZHKJOBBFTFCP-UHFFFAOYSA-N 1 0 337.376 1.343 20 5 EDBDRO O=[N+]([O-])c1cc(F)c(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(F)c1 ZINC000595865131 449217486 /nfs/dbraw/zinc/21/74/86/449217486.db2.gz ZQCGUEMYWLQBML-CYBMUJFWSA-N 1 0 341.358 1.904 20 5 EDBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000590555547 449189190 /nfs/dbraw/zinc/18/91/90/449189190.db2.gz PXUAARREIIEGQB-LBPRGKRZSA-N 1 0 348.403 1.502 20 5 EDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)c1cc(C2CC[NH2+]CC2)no1 ZINC000595925307 449257437 /nfs/dbraw/zinc/25/74/37/449257437.db2.gz YEPVLDNMIHGSOK-UHFFFAOYSA-N 1 0 330.344 1.980 20 5 EDBDRO Cc1c([C@@H](C)[NH2+]CCCN2CCCS2(=O)=O)cccc1[N+](=O)[O-] ZINC000611335552 449265360 /nfs/dbraw/zinc/26/53/60/449265360.db2.gz GDPDDDSATLRISA-CYBMUJFWSA-N 1 0 341.433 1.979 20 5 EDBDRO CCn1cnnc1CC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000611336048 449265667 /nfs/dbraw/zinc/26/56/67/449265667.db2.gz YBPIPFCRDDUNLO-GFCCVEGCSA-N 1 0 346.391 1.756 20 5 EDBDRO [NH3+]CC12CC(C1)CN2C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000595942092 449269178 /nfs/dbraw/zinc/26/91/78/449269178.db2.gz GNMFLIWBUXEOKW-UHFFFAOYSA-N 1 0 328.328 1.412 20 5 EDBDRO Cc1n[nH]c(C(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1[N+](=O)[O-] ZINC000593918460 449286423 /nfs/dbraw/zinc/28/64/23/449286423.db2.gz DUGMHGUVFQNBLY-IJLUTSLNSA-N 1 0 337.380 1.127 20 5 EDBDRO C[C@H](CCCCO)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611520925 449318188 /nfs/dbraw/zinc/31/81/88/449318188.db2.gz QTSBYZMNAWVJBX-GFCCVEGCSA-N 1 0 345.421 1.014 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NC[C@@H](C)C[NH3+])c1 ZINC000593905373 449275738 /nfs/dbraw/zinc/27/57/38/449275738.db2.gz DMSLZELXAMQUJJ-NSHDSACASA-N 1 0 331.376 1.473 20 5 EDBDRO COc1ccc(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000602078859 449327671 /nfs/dbraw/zinc/32/76/71/449327671.db2.gz AHXQPULTJIHPNE-IUODEOHRSA-N 1 0 335.360 1.083 20 5 EDBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)C1 ZINC000593911992 449280233 /nfs/dbraw/zinc/28/02/33/449280233.db2.gz LRRULESSYXVMCO-IOASZLSFSA-N 1 0 333.388 1.953 20 5 EDBDRO CC1(C)OCC[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000596065342 449343673 /nfs/dbraw/zinc/34/36/73/449343673.db2.gz FCUBDJFBOVDYGH-GFCCVEGCSA-N 1 0 342.417 1.773 20 5 EDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000602112495 449355195 /nfs/dbraw/zinc/35/51/95/449355195.db2.gz QTUQFFNHZNGGHS-SJORKVTESA-N 1 0 347.415 1.897 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000598343123 449357992 /nfs/dbraw/zinc/35/79/92/449357992.db2.gz SWMJIAGHQBCAMM-NSHDSACASA-N 1 0 335.360 1.580 20 5 EDBDRO O=C([C@H]1C[N@@H+]2CCC[C@@H]2CO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602125984 449365362 /nfs/dbraw/zinc/36/53/62/449365362.db2.gz UUQUOCASRHPAKI-NVXWUHKLSA-N 1 0 345.399 1.949 20 5 EDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3c(Cl)cncc3[N+](=O)[O-])CC2)C1 ZINC000596128304 449377510 /nfs/dbraw/zinc/37/75/10/449377510.db2.gz HHKBTWUQFBVDGI-LBPRGKRZSA-N 1 0 339.827 1.859 20 5 EDBDRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000596048539 449335787 /nfs/dbraw/zinc/33/57/87/449335787.db2.gz BFNBPEAIRMDGBA-SECBINFHSA-N 1 0 327.284 1.105 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000596051314 449337383 /nfs/dbraw/zinc/33/73/83/449337383.db2.gz MSAZXIIHELOKHI-JTQLQIEISA-N 1 0 341.311 1.413 20 5 EDBDRO C[N@@H+]1CC[C@](O)(CNc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596198850 449409530 /nfs/dbraw/zinc/40/95/30/449409530.db2.gz XIZZBNRRCBOXTQ-LBPRGKRZSA-N 1 0 330.182 1.836 20 5 EDBDRO CN(CCC[NH+](C)C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000596209661 449417088 /nfs/dbraw/zinc/41/70/88/449417088.db2.gz AYHIEHFODVBZNV-UHFFFAOYSA-N 1 0 337.424 1.278 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596214606 449420642 /nfs/dbraw/zinc/42/06/42/449420642.db2.gz XFJJZTWIHZLNPJ-GFCCVEGCSA-N 1 0 348.403 1.383 20 5 EDBDRO CCC[N@H+](C)CC(=O)N[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000600539835 449431336 /nfs/dbraw/zinc/43/13/36/449431336.db2.gz BXDZJRGOGXNKFL-INIZCTEOSA-N 1 0 337.376 1.441 20 5 EDBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596236891 449432265 /nfs/dbraw/zinc/43/22/65/449432265.db2.gz OCZMQSDWGAJPAA-NSHDSACASA-N 1 0 344.437 1.775 20 5 EDBDRO NC(=O)c1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000596167831 449394006 /nfs/dbraw/zinc/39/40/06/449394006.db2.gz NPXLMXOOJVRERT-CYBMUJFWSA-N 1 0 334.376 1.359 20 5 EDBDRO CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000600621168 449462551 /nfs/dbraw/zinc/46/25/51/449462551.db2.gz ZHOCKJQQOWURCH-IXDOHACOSA-N 1 0 347.415 1.895 20 5 EDBDRO COC(=O)c1ccnc(Nc2cnn(CC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000598591464 449479928 /nfs/dbraw/zinc/47/99/28/449479928.db2.gz BMWHAXPDGLKYNI-UHFFFAOYSA-N 1 0 334.336 1.278 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)CC[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000598602289 449487062 /nfs/dbraw/zinc/48/70/62/449487062.db2.gz RZYFRFGSWGCMPJ-UHFFFAOYSA-N 1 0 341.433 1.928 20 5 EDBDRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000600682882 449490508 /nfs/dbraw/zinc/49/05/08/449490508.db2.gz OKGDUWHZSUAFFD-UHFFFAOYSA-N 1 0 348.403 1.707 20 5 EDBDRO C[N@@H+]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC12CCCCC2 ZINC000596251733 449439770 /nfs/dbraw/zinc/43/97/70/449439770.db2.gz XTMHCBMEHSXBIW-UHFFFAOYSA-N 1 0 333.392 1.543 20 5 EDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598665691 449527989 /nfs/dbraw/zinc/52/79/89/449527989.db2.gz XUMXTXJZCJLXQS-OAHLLOKOSA-N 1 0 337.380 1.206 20 5 EDBDRO NC(=O)c1ccnc(NCC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000596561944 449553130 /nfs/dbraw/zinc/55/31/30/449553130.db2.gz IMJHDXUOCBAVIG-UHFFFAOYSA-N 1 0 333.392 1.623 20 5 EDBDRO CN(CC1C[NH+](C)C1)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000596454976 449511052 /nfs/dbraw/zinc/51/10/52/449511052.db2.gz XQCHZICVNOCBPJ-UHFFFAOYSA-N 1 0 332.404 1.829 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598726719 449566186 /nfs/dbraw/zinc/56/61/86/449566186.db2.gz VCCHTXMAKIXGLK-IUODEOHRSA-N 1 0 339.417 1.714 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)CC[NH2+]1 ZINC000602434227 449584484 /nfs/dbraw/zinc/58/44/84/449584484.db2.gz OAFXUKYBODDMHX-JTQLQIEISA-N 1 0 333.323 1.354 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000598715017 449558490 /nfs/dbraw/zinc/55/84/90/449558490.db2.gz LPLXFHCLVNGCGW-CHWSQXEVSA-N 1 0 339.417 1.584 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@H](C)N[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598716892 449560549 /nfs/dbraw/zinc/56/05/49/449560549.db2.gz UWVKEFNRAKWEKC-QWRGUYRKSA-N 1 0 327.406 1.583 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598716924 449560836 /nfs/dbraw/zinc/56/08/36/449560836.db2.gz WGTVMGQPMWKQIV-JQWIXIFHSA-N 1 0 327.406 1.569 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCCC2(C[NH3+])CC2)c(C)c1[N+](=O)[O-] ZINC000598721581 449562962 /nfs/dbraw/zinc/56/29/62/449562962.db2.gz XRBICZUVBLKAMT-UHFFFAOYSA-N 1 0 327.406 1.619 20 5 EDBDRO C[C@H](CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+](C)C ZINC000596588353 449563999 /nfs/dbraw/zinc/56/39/99/449563999.db2.gz PTMUFCOPSRKYMV-SNVBAGLBSA-N 1 0 334.380 1.611 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602444473 449592478 /nfs/dbraw/zinc/59/24/78/449592478.db2.gz NPAMMECDXIPBIE-HSZRJFAPSA-N 1 0 339.417 1.054 20 5 EDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000594612898 449594079 /nfs/dbraw/zinc/59/40/79/449594079.db2.gz OTVJNGBLMZWGER-QWHCGFSZSA-N 1 0 343.330 1.447 20 5 EDBDRO C[NH2+]CCOCCN(C)c1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000600954285 449615489 /nfs/dbraw/zinc/61/54/89/449615489.db2.gz WEMCVXIHBBXOEZ-UHFFFAOYSA-N 1 0 338.408 1.405 20 5 EDBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[C@@H]1C[NH3+] ZINC000600961483 449616701 /nfs/dbraw/zinc/61/67/01/449616701.db2.gz RMUMVLMNZSQVNI-STQMWFEESA-N 1 0 332.404 1.862 20 5 EDBDRO [NH3+][C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC000602481210 449623427 /nfs/dbraw/zinc/62/34/27/449623427.db2.gz BBGCTHKYTOZLHB-SECBINFHSA-N 1 0 328.166 1.824 20 5 EDBDRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594746092 449662925 /nfs/dbraw/zinc/66/29/25/449662925.db2.gz YQNURMUVYNBJLD-GFCCVEGCSA-N 1 0 342.421 1.533 20 5 EDBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1COCC[NH2+]1 ZINC000602551111 449667616 /nfs/dbraw/zinc/66/76/16/449667616.db2.gz MJGQQGZEKPVGLZ-JTQLQIEISA-N 1 0 345.808 1.445 20 5 EDBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000598894684 449634854 /nfs/dbraw/zinc/63/48/54/449634854.db2.gz RJMWYXXBNBYSEU-GFCCVEGCSA-N 1 0 347.375 1.069 20 5 EDBDRO O=[N+]([O-])c1sc(C[NH2+]CCCOCCO)cc1Br ZINC000602598549 449696736 /nfs/dbraw/zinc/69/67/36/449696736.db2.gz WLZVNSSBJDBGNP-UHFFFAOYSA-N 1 0 339.211 1.907 20 5 EDBDRO Cn1cc(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c([N+](=O)[O-])n1 ZINC000602620366 449710928 /nfs/dbraw/zinc/71/09/28/449710928.db2.gz BDSZRMWYZWYIGU-INIZCTEOSA-N 1 0 327.344 1.424 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)c(C)cc1[N+](=O)[O-] ZINC000599100887 449731980 /nfs/dbraw/zinc/73/19/80/449731980.db2.gz JGBYURRMODXGJA-AWEZNQCLSA-N 1 0 339.417 1.775 20 5 EDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000601178624 449735914 /nfs/dbraw/zinc/73/59/14/449735914.db2.gz AGDZHVVOTRWMKD-DTWKUNHWSA-N 1 0 333.314 1.878 20 5 EDBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@]2(O)CCOC2)cc1Br ZINC000602581914 449687396 /nfs/dbraw/zinc/68/73/96/449687396.db2.gz LBLRDIKXWNYDSZ-SNVBAGLBSA-N 1 0 337.195 1.660 20 5 EDBDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](CCn1c(C)ncc1[N+](=O)[O-])CC2 ZINC000602778144 449802215 /nfs/dbraw/zinc/80/22/15/449802215.db2.gz BYHDIKSALBMBAK-UONOGXRCSA-N 1 0 338.408 1.352 20 5 EDBDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](CCn1c(C)ncc1[N+](=O)[O-])CC2 ZINC000602778143 449802310 /nfs/dbraw/zinc/80/23/10/449802310.db2.gz BYHDIKSALBMBAK-KGLIPLIRSA-N 1 0 338.408 1.352 20 5 EDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)CCC2 ZINC000595078619 449857548 /nfs/dbraw/zinc/85/75/48/449857548.db2.gz PQTGWALYIUHAMD-SJORKVTESA-N 1 0 336.388 1.730 20 5 EDBDRO COc1cc(CN2CCC[C@@](CO)(OC)C2)c([N+](=O)[O-])cc1OC ZINC000597187837 449862829 /nfs/dbraw/zinc/86/28/29/449862829.db2.gz QEUYAZNVZZFXMJ-MRXNPFEDSA-N 1 0 340.376 1.585 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601357790 449870597 /nfs/dbraw/zinc/87/05/97/449870597.db2.gz WUZUTVCYYBQXEU-MNOVXSKESA-N 1 0 345.396 1.803 20 5 EDBDRO CCN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)[C@H]1CC[N@H+](C)C1 ZINC000595110178 449874273 /nfs/dbraw/zinc/87/42/73/449874273.db2.gz JAPOAONVEYPUDM-ZDUSSCGKSA-N 1 0 334.376 1.394 20 5 EDBDRO CN(CC(C)(C)[NH3+])S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000595115127 449876575 /nfs/dbraw/zinc/87/65/75/449876575.db2.gz AFCVZDLXWSFUKX-UHFFFAOYSA-N 1 0 338.389 1.501 20 5 EDBDRO COc1ccc(S(=O)(=O)NCC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000595121293 449882804 /nfs/dbraw/zinc/88/28/04/449882804.db2.gz NOQIXONIYCRLRB-LLVKDONJSA-N 1 0 331.394 1.255 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])s1 ZINC000601384043 449900691 /nfs/dbraw/zinc/90/06/91/449900691.db2.gz YJKHWFJTXYPDGE-UHFFFAOYSA-N 1 0 347.462 1.927 20 5 EDBDRO CN(CCc1ccccc1[N+](=O)[O-])S(=O)(=O)CCC[NH+](C)C ZINC000601414451 449931548 /nfs/dbraw/zinc/93/15/48/449931548.db2.gz YVRKKESLJQVKIL-UHFFFAOYSA-N 1 0 329.422 1.351 20 5 EDBDRO CS[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H]1[NH+]1CCCC1 ZINC000614978252 449901680 /nfs/dbraw/zinc/90/16/80/449901680.db2.gz RBCQWAZTQJOWTE-RYUDHWBXSA-N 1 0 348.432 1.654 20 5 EDBDRO COC(=O)[C@@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000602917244 449920206 /nfs/dbraw/zinc/92/02/06/449920206.db2.gz ZRBGLBTZZVGLSA-MGPQQGTHSA-N 1 0 336.392 1.763 20 5 EDBDRO CC(C)(C)C[N@H+](CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609316852 450005156 /nfs/dbraw/zinc/00/51/56/450005156.db2.gz AJAYLRCWZGBKFV-AWEZNQCLSA-N 1 0 326.393 1.675 20 5 EDBDRO CO[C@@H](C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@H]1CCOC1 ZINC000595291984 450006746 /nfs/dbraw/zinc/00/67/46/450006746.db2.gz YYWBTCMYAQQLBH-YOEHRIQHSA-N 1 0 335.404 1.768 20 5 EDBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000609347059 450017750 /nfs/dbraw/zinc/01/77/50/450017750.db2.gz MICTXHOLYJPAPP-UHFFFAOYSA-N 1 0 338.408 1.553 20 5 EDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601556585 450071752 /nfs/dbraw/zinc/07/17/52/450071752.db2.gz LZGBXYQANBDSTD-HIFRSBDPSA-N 1 0 332.404 1.997 20 5 EDBDRO Cc1noc(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000595315033 450029734 /nfs/dbraw/zinc/02/97/34/450029734.db2.gz WPFRQLIPWNLIAI-CQSZACIVSA-N 1 0 337.424 1.493 20 5 EDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000615312965 450059079 /nfs/dbraw/zinc/05/90/79/450059079.db2.gz KGKOPVABODONTE-CYBMUJFWSA-N 1 0 348.403 1.832 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](c2ccccn2)C2CCC2)c1 ZINC000599574039 450076790 /nfs/dbraw/zinc/07/67/90/450076790.db2.gz MPTLASATLGCSOT-GOEBONIOSA-N 1 0 331.376 1.678 20 5 EDBDRO C[N@@H+]1CCC[C@H](N2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)C1 ZINC000609672937 450082296 /nfs/dbraw/zinc/08/22/96/450082296.db2.gz YYAYQKCSKQUHTJ-AWEZNQCLSA-N 1 0 336.411 1.946 20 5 EDBDRO COc1cc(OCC(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC000597532935 450088336 /nfs/dbraw/zinc/08/83/36/450088336.db2.gz OVEOJQYFDSRJAF-CHWSQXEVSA-N 1 0 337.376 1.581 20 5 EDBDRO Cc1noc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1[N+](=O)[O-] ZINC000595392493 450106606 /nfs/dbraw/zinc/10/66/06/450106606.db2.gz HRPVDCSYIDIVTM-YIONKMFJSA-N 1 0 349.435 1.634 20 5 EDBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597606963 450143466 /nfs/dbraw/zinc/14/34/66/450143466.db2.gz ZNZIRWGGXFGOQX-LBPRGKRZSA-N 1 0 335.360 1.880 20 5 EDBDRO C[C@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000597693102 450201375 /nfs/dbraw/zinc/20/13/75/450201375.db2.gz AWVOWIACCPICMQ-AWEZNQCLSA-N 1 0 346.431 1.404 20 5 EDBDRO C[NH+](C)CC1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000597709440 450212889 /nfs/dbraw/zinc/21/28/89/450212889.db2.gz VLWYUPWIUGGPTA-UHFFFAOYSA-N 1 0 346.431 1.831 20 5 EDBDRO CCCc1n[nH]c(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597715605 450217260 /nfs/dbraw/zinc/21/72/60/450217260.db2.gz NPOLGCJKYIYZBV-INIZCTEOSA-N 1 0 335.408 1.828 20 5 EDBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000597716679 450217664 /nfs/dbraw/zinc/21/76/64/450217664.db2.gz RPIQOHLSLUZTFO-KRWDZBQOSA-N 1 0 333.388 1.918 20 5 EDBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000595505828 450192432 /nfs/dbraw/zinc/19/24/32/450192432.db2.gz ZCWSWESBCYZBMK-YJBOKZPZSA-N 1 0 349.431 1.752 20 5 EDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](CO)Cc1ccccc1 ZINC000595599519 450256351 /nfs/dbraw/zinc/25/63/51/450256351.db2.gz XKHLDGJBHWVWOP-INIZCTEOSA-N 1 0 331.372 1.292 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CC(C3CCOCC3)C2)c1 ZINC000619706024 450311720 /nfs/dbraw/zinc/31/17/20/450311720.db2.gz FHFXLVMGIQTCII-INIZCTEOSA-N 1 0 336.388 1.693 20 5 EDBDRO C[NH+](C)CCO[C@@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000610764478 450327289 /nfs/dbraw/zinc/32/72/89/450327289.db2.gz WXJXWCQARURZSW-SNVBAGLBSA-N 1 0 325.394 1.461 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CCC3(C[NH+](C)C3)C2)cc([N+](=O)[O-])c1 ZINC000618921264 450341836 /nfs/dbraw/zinc/34/18/36/450341836.db2.gz RTVAYNNGOOUCFM-UHFFFAOYSA-N 1 0 347.371 1.549 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000619873336 450349335 /nfs/dbraw/zinc/34/93/35/450349335.db2.gz DWJFOYCPUIQHMC-HNNXBMFYSA-N 1 0 346.431 1.640 20 5 EDBDRO CN1CCN(C(=O)C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000618983572 450361050 /nfs/dbraw/zinc/36/10/50/450361050.db2.gz XVYFPJSQYAURHZ-MRXNPFEDSA-N 1 0 346.431 1.681 20 5 EDBDRO CC(C)c1[nH]nc(C(=O)Nc2cnn(CC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000610921394 450380569 /nfs/dbraw/zinc/38/05/69/450380569.db2.gz CLECMSOQAFYMCC-UHFFFAOYSA-N 1 0 335.368 1.452 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000452073509 486238205 /nfs/dbraw/zinc/23/82/05/486238205.db2.gz ZBDKRKOXHGMKRU-NEPJUHHUSA-N 1 0 337.376 1.635 20 5 EDBDRO C[C@@H](C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nccs1 ZINC000183975922 533739488 /nfs/dbraw/zinc/73/94/88/533739488.db2.gz SBUKYCCOUDXSAQ-JQWIXIFHSA-N 1 0 325.394 1.344 20 5 EDBDRO COc1cc(CCNC(=O)[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OC ZINC000177946048 533765445 /nfs/dbraw/zinc/76/54/45/533765445.db2.gz VZTNUUYPZVACKB-AWEZNQCLSA-N 1 0 325.365 1.254 20 5 EDBDRO C[C@H](CC1CC1)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178005586 533765639 /nfs/dbraw/zinc/76/56/39/533765639.db2.gz ANBUTFPOUCDEQN-LLVKDONJSA-N 1 0 327.406 1.651 20 5 EDBDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000184269698 534228493 /nfs/dbraw/zinc/22/84/93/534228493.db2.gz FAKAQMLMXKJMOP-RULNZOCKSA-N 1 0 336.417 1.852 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000184517152 534319601 /nfs/dbraw/zinc/31/96/01/534319601.db2.gz UGTRUQWYCWZGQZ-GFCCVEGCSA-N 1 0 334.376 1.218 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000159736104 534321035 /nfs/dbraw/zinc/32/10/35/534321035.db2.gz GKFSBUWDJBFCHD-UHFFFAOYSA-N 1 0 342.399 1.574 20 5 EDBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(CCO)CCOCC1 ZINC000353035784 536466710 /nfs/dbraw/zinc/46/67/10/536466710.db2.gz IETWGMBJGZYZJC-UHFFFAOYSA-N 1 0 337.376 1.057 20 5 EDBDRO CCC[NH+]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000171867002 528241729 /nfs/dbraw/zinc/24/17/29/528241729.db2.gz URTIFXJNSAWLIR-UHFFFAOYSA-N 1 0 344.371 1.604 20 5 EDBDRO CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174664871 528800971 /nfs/dbraw/zinc/80/09/71/528800971.db2.gz SLDSFRCLIMTABS-AWEZNQCLSA-N 1 0 348.359 1.403 20 5 EDBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000347746474 536347298 /nfs/dbraw/zinc/34/72/98/536347298.db2.gz WGZGTWNBJVOHEY-UHFFFAOYSA-N 1 0 338.383 1.443 20 5 EDBDRO COc1cc(CCNC(=O)C2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000195139903 536736010 /nfs/dbraw/zinc/73/60/10/536736010.db2.gz VADVBBDMIWUSLO-UHFFFAOYSA-N 1 0 337.376 1.270 20 5 EDBDRO COc1cc(CCNC(=O)CC[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000193182625 536737354 /nfs/dbraw/zinc/73/73/54/536737354.db2.gz RJBZOAUOFCNJRP-JTQLQIEISA-N 1 0 325.365 1.398 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+]1C ZINC000741725597 579426205 /nfs/dbraw/zinc/42/62/05/579426205.db2.gz QBFMSFMWPPKHHK-MNOVXSKESA-N 1 0 325.340 1.712 20 5 EDBDRO COC(=O)c1cc(C(=O)NCC[N@@H+]2CCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000742241222 579444783 /nfs/dbraw/zinc/44/47/83/579444783.db2.gz TWUMQKWPQXRZLF-NSHDSACASA-N 1 0 335.360 1.596 20 5 EDBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1OC ZINC000743259812 579474230 /nfs/dbraw/zinc/47/42/30/579474230.db2.gz NQLFTNWSXCNZDX-HIFRSBDPSA-N 1 0 334.376 1.902 20 5 EDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000737745038 578281287 /nfs/dbraw/zinc/28/12/87/578281287.db2.gz YSFRSMIYRNMFJB-INIZCTEOSA-N 1 0 345.403 1.743 20 5 EDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000734446701 578814629 /nfs/dbraw/zinc/81/46/29/578814629.db2.gz BKWOYNJXFKBJJE-LBPRGKRZSA-N 1 0 339.367 1.913 20 5 EDBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736247408 578968033 /nfs/dbraw/zinc/96/80/33/578968033.db2.gz CQHASEPGATZZNU-PHIMTYICSA-N 1 0 346.395 1.845 20 5 EDBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CCCC1 ZINC000736756470 579017097 /nfs/dbraw/zinc/01/70/97/579017097.db2.gz JAQTZGUCGSTACA-UHFFFAOYSA-N 1 0 332.368 1.456 20 5 EDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000747230530 579634541 /nfs/dbraw/zinc/63/45/41/579634541.db2.gz TYUIFIBWXLTCIC-OLZOCXBDSA-N 1 0 344.371 1.669 20 5 EDBDRO CC(C)C(=O)N1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000749673431 579734334 /nfs/dbraw/zinc/73/43/34/579734334.db2.gz VCBOKDCPTBZSHO-INIZCTEOSA-N 1 0 335.404 1.865 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NCC[N@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000755135456 579920953 /nfs/dbraw/zinc/92/09/53/579920953.db2.gz CONONOYEMLPUPS-CYBMUJFWSA-N 1 0 341.433 1.974 20 5 EDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000778246124 580459901 /nfs/dbraw/zinc/45/99/01/580459901.db2.gz QCGKEIVOFXDZJX-SECBINFHSA-N 1 0 335.389 1.671 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000758332477 579980126 /nfs/dbraw/zinc/98/01/26/579980126.db2.gz CAKCSXOBXDMCPM-BXUZGUMPSA-N 1 0 347.371 1.385 20 5 EDBDRO CO[C@@]1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCOC1 ZINC000763575299 580101955 /nfs/dbraw/zinc/10/19/55/580101955.db2.gz SQUHTWXMQIVACM-QGZVFWFLSA-N 1 0 335.404 1.959 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3csc([N+](=O)[O-])c3)CC[C@H]21 ZINC000768862237 580222868 /nfs/dbraw/zinc/22/28/68/580222868.db2.gz JKEBDMPKDXHSNY-ZYHUDNBSSA-N 1 0 345.446 1.761 20 5 EDBDRO C[C@H]([NH2+][C@@H](CO)C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000771815462 580295327 /nfs/dbraw/zinc/29/53/27/580295327.db2.gz VBBMSAMJLJYMJQ-SDBXPKJASA-N 1 0 327.768 1.936 20 5 EDBDRO CC(C)(CO)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774886843 580376556 /nfs/dbraw/zinc/37/65/56/580376556.db2.gz XFNQOVSCSWRLPE-UHFFFAOYSA-N 1 0 338.364 1.392 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1 ZINC000776277422 580413722 /nfs/dbraw/zinc/41/37/22/580413722.db2.gz PCFGDYWPQGQMBX-ZBFHGGJFSA-N 1 0 343.387 1.677 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H]2C)cc([N+](=O)[O-])c1F ZINC000780867034 580536005 /nfs/dbraw/zinc/53/60/05/580536005.db2.gz JGKBTYCAIYHYMY-LLVKDONJSA-N 1 0 345.396 1.805 20 5 EDBDRO C[NH+](C)CCCCNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781616532 580553359 /nfs/dbraw/zinc/55/33/59/580553359.db2.gz JLWFSVZAQPJRAC-UHFFFAOYSA-N 1 0 338.364 1.894 20 5 EDBDRO C[C@@H](CC[NH+](C)C)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781615430 580553392 /nfs/dbraw/zinc/55/33/92/580553392.db2.gz WKJVNTSVMIBHCZ-NSHDSACASA-N 1 0 338.364 1.892 20 5 EDBDRO CCNC(=O)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782482047 580575736 /nfs/dbraw/zinc/57/57/36/580575736.db2.gz KNNPKHHGAFBODR-UHFFFAOYSA-N 1 0 326.328 1.130 20 5 EDBDRO C[C@@H]1OCC[C@]1(O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000788622343 580726108 /nfs/dbraw/zinc/72/61/08/580726108.db2.gz AQNIHHDWZPKHNB-GUYCJALGSA-N 1 0 335.404 1.693 20 5 EDBDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](CCOc3ccc(OC)cc3[N+](=O)[O-])C[C@@H]21 ZINC000794963905 580909025 /nfs/dbraw/zinc/90/90/25/580909025.db2.gz MVRPNNQBJWXQCC-JYAVWHMHSA-N 1 0 336.344 1.333 20 5 EDBDRO CC1(C)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000796559863 580956456 /nfs/dbraw/zinc/95/64/56/580956456.db2.gz DRGYBCPEIDFYEI-WBVHZDCISA-N 1 0 336.388 1.898 20 5 EDBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])NCC1C[NH2+]C1 ZINC000892049789 590772175 /nfs/dbraw/zinc/77/21/75/590772175.db2.gz ZPFAPGSZLGJLKC-UHFFFAOYSA-N 1 0 343.181 1.376 20 5 EDBDRO C[N@H+]1C[C@H]2CN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)C[C@H]2C1 ZINC000893603180 591002675 /nfs/dbraw/zinc/00/26/75/591002675.db2.gz UDXZJDAVKVOXRB-TXEJJXNPSA-N 1 0 338.795 1.951 20 5 EDBDRO COCCC[N@H+](C)CCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892675453 591124515 /nfs/dbraw/zinc/12/45/15/591124515.db2.gz RJLVIFFVJLREDK-UHFFFAOYSA-N 1 0 348.403 1.827 20 5 EDBDRO CN(c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000892677021 591125182 /nfs/dbraw/zinc/12/51/82/591125182.db2.gz SNQXAQDUYNQDIZ-LBPRGKRZSA-N 1 0 330.388 1.977 20 5 EDBDRO C[N@@H+]1CC[C@@H]1CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000895771864 591270264 /nfs/dbraw/zinc/27/02/64/591270264.db2.gz RLNLWZABTSLUAY-CYBMUJFWSA-N 1 0 334.376 1.183 20 5 EDBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1C ZINC000894430602 591310331 /nfs/dbraw/zinc/31/03/31/591310331.db2.gz ZVAWNNDNHSFTHE-QWHCGFSZSA-N 1 0 349.387 1.335 20 5 EDBDRO C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCN1C ZINC000896553411 591518204 /nfs/dbraw/zinc/51/82/04/591518204.db2.gz AGNURPLMEMUYEQ-CZUORRHYSA-N 1 0 348.447 1.623 20 5 EDBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ccc2nonc2c1[N+](=O)[O-] ZINC000895036641 591531116 /nfs/dbraw/zinc/53/11/16/591531116.db2.gz YZGGFXCOJLSOSG-UHFFFAOYSA-N 1 0 347.375 1.680 20 5 EDBDRO O=C(C1C[NH+]([C@H]2CCOC2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000897139271 591752148 /nfs/dbraw/zinc/75/21/48/591752148.db2.gz JVYIBSZEXNYLNC-INIZCTEOSA-N 1 0 345.399 1.807 20 5 EDBDRO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000897219982 591774406 /nfs/dbraw/zinc/77/44/06/591774406.db2.gz QYDUSEOLNIGDCH-ZIAGYGMSSA-N 1 0 333.388 1.833 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000897221866 591776654 /nfs/dbraw/zinc/77/66/54/591776654.db2.gz PPUNBKKTXPHKJM-NWDGAFQWSA-N 1 0 326.784 1.679 20 5 EDBDRO CC1(C)C[NH2+]C[C@@H]1Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000900421788 592014755 /nfs/dbraw/zinc/01/47/55/592014755.db2.gz SHSRMAKZSYCDHA-HNNXBMFYSA-N 1 0 348.403 1.477 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000902709153 592048584 /nfs/dbraw/zinc/04/85/84/592048584.db2.gz VCOIFYLVXGGQER-SMDDNHRTSA-N 1 0 334.376 1.393 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000900810368 592132439 /nfs/dbraw/zinc/13/24/39/592132439.db2.gz HHYWLAWKNIHOQL-HUUCEWRRSA-N 1 0 348.447 1.884 20 5 EDBDRO CN1CCOC[C@]1(CO)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000903278717 592150470 /nfs/dbraw/zinc/15/04/70/592150470.db2.gz NIGLFZKQHRKNQQ-ZWKOTPCHSA-N 1 0 349.431 1.645 20 5 EDBDRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000903574260 592226212 /nfs/dbraw/zinc/22/62/12/592226212.db2.gz YLOCXGIUEOTQME-NSHDSACASA-N 1 0 345.396 1.805 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000903596808 592238724 /nfs/dbraw/zinc/23/87/24/592238724.db2.gz TVIHRJAVGZWEDH-AWEZNQCLSA-N 1 0 325.390 1.420 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903734630 592298000 /nfs/dbraw/zinc/29/80/00/592298000.db2.gz UDNJUVVIACJNFI-HNNXBMFYSA-N 1 0 346.431 1.742 20 5 EDBDRO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000903882015 592361968 /nfs/dbraw/zinc/36/19/68/592361968.db2.gz JFSGPNRSDLSGPT-HKUYNNGSSA-N 1 0 341.411 1.884 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCCO4)[C@@H]2C1 ZINC000908348396 592455702 /nfs/dbraw/zinc/45/57/02/592455702.db2.gz OBDLKNSIFPMEFC-BXUZGUMPSA-N 1 0 347.371 1.532 20 5 EDBDRO C[C@H](NC(=O)c1ccnn1CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000908512638 592526268 /nfs/dbraw/zinc/52/62/68/592526268.db2.gz OXSXPDAAHFBEDX-LBPRGKRZSA-N 1 0 331.376 1.844 20 5 EDBDRO C[C@H](C[NH2+]C[C@H](O)COC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000905644898 592603493 /nfs/dbraw/zinc/60/34/93/592603493.db2.gz TWMQWXLREIJKGF-KGLIPLIRSA-N 1 0 338.404 1.844 20 5 EDBDRO [NH3+][C@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000905717922 592622830 /nfs/dbraw/zinc/62/28/30/592622830.db2.gz LQEAPJMFMBBHQM-BDAKNGLRSA-N 1 0 329.282 1.958 20 5 EDBDRO [NH3+][C@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000905717924 592622963 /nfs/dbraw/zinc/62/29/63/592622963.db2.gz LQEAPJMFMBBHQM-IUCAKERBSA-N 1 0 329.282 1.958 20 5 EDBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905926989 592685346 /nfs/dbraw/zinc/68/53/46/592685346.db2.gz XUOWETHHMROVGY-DLBZAZTESA-N 1 0 338.404 1.708 20 5 EDBDRO CC[N@H+](CCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)C1CC1 ZINC000906556385 592843906 /nfs/dbraw/zinc/84/39/06/592843906.db2.gz XWQMPSDIVMDGEJ-UHFFFAOYSA-N 1 0 349.387 1.970 20 5 EDBDRO C[N@@H+]1CCC[C@](O)(CC(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC000911469105 592922009 /nfs/dbraw/zinc/92/20/09/592922009.db2.gz AJPIRSLNDRAYSC-HNNXBMFYSA-N 1 0 343.330 1.336 20 5 EDBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000911499273 592932371 /nfs/dbraw/zinc/93/23/71/592932371.db2.gz AWXTXWSDQPPKJG-UHFFFAOYSA-N 1 0 334.376 1.686 20 5 EDBDRO CCN1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000734789839 592968855 /nfs/dbraw/zinc/96/88/55/592968855.db2.gz JYMFDKIWPBSCMZ-CYBMUJFWSA-N 1 0 336.392 1.111 20 5 EDBDRO C[N@@H+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC000912033076 593050504 /nfs/dbraw/zinc/05/05/04/593050504.db2.gz NHPNXWJKLJPSSP-CABCVRRESA-N 1 0 335.404 1.817 20 5 EDBDRO CC[NH+](CC)CCOC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000912578216 593106266 /nfs/dbraw/zinc/10/62/66/593106266.db2.gz REJDPTQLJCLTPV-UHFFFAOYSA-N 1 0 349.343 1.076 20 5 EDBDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000805825908 593150227 /nfs/dbraw/zinc/15/02/27/593150227.db2.gz KELLZJJEZYEKIU-LSDHHAIUSA-N 1 0 337.376 1.839 20 5 EDBDRO CS[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000867020291 593182291 /nfs/dbraw/zinc/18/22/91/593182291.db2.gz GXNGCKDQOWXMSP-CHWSQXEVSA-N 1 0 341.408 1.780 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCN3CCCOCC3)CC2)cc1 ZINC000809750685 593357951 /nfs/dbraw/zinc/35/79/51/593357951.db2.gz DOAGXCCKMVDAOR-UHFFFAOYSA-N 1 0 348.447 1.876 20 5 EDBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812850743 593510772 /nfs/dbraw/zinc/51/07/72/593510772.db2.gz OKCRIHKJDGAHFK-XOKHGSTOSA-N 1 0 348.403 1.596 20 5 EDBDRO Cc1cc(F)cc(C(=O)NCCC[N@@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000813853118 593558412 /nfs/dbraw/zinc/55/84/12/593558412.db2.gz AZGOIXYTCBJQLD-UHFFFAOYSA-N 1 0 340.399 1.656 20 5 EDBDRO CC(C)(C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000814109975 593573661 /nfs/dbraw/zinc/57/36/61/593573661.db2.gz ZUEWNTNVJRJLCI-KGLIPLIRSA-N 1 0 347.415 1.852 20 5 EDBDRO C[C@](C[NH3+])(NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C1CC1 ZINC000818554986 593704529 /nfs/dbraw/zinc/70/45/29/593704529.db2.gz SGNXRDZUDDMZSV-QGZVFWFLSA-N 1 0 348.403 1.289 20 5 EDBDRO CCn1c(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)nc2ccccc21 ZINC000818941176 593729040 /nfs/dbraw/zinc/72/90/40/593729040.db2.gz QCTOHMFCSCULFH-CYBMUJFWSA-N 1 0 344.375 1.312 20 5 EDBDRO CN(C)[C@]1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000819130024 593740379 /nfs/dbraw/zinc/74/03/79/593740379.db2.gz DZHNHVRZZZKEDB-GJZGRUSLSA-N 1 0 325.434 1.655 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCC2CCS(=O)(=O)CC2)cc1 ZINC000819200544 593743961 /nfs/dbraw/zinc/74/39/61/593743961.db2.gz ZGKXNIQRBUUSDR-HNNXBMFYSA-N 1 0 342.417 1.433 20 5 EDBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1(S(C)(=O)=O)CC1 ZINC000819305080 593749583 /nfs/dbraw/zinc/74/95/83/593749583.db2.gz LWPIXFHOXCKUHA-GWCFXTLKSA-N 1 0 328.390 1.184 20 5 EDBDRO CS(=O)(=O)CC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819376959 593752574 /nfs/dbraw/zinc/75/25/74/593752574.db2.gz LAUWUPTWGWXOFA-CQSZACIVSA-N 1 0 342.417 1.433 20 5 EDBDRO C[NH+](C)C1CC(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000819680514 593763061 /nfs/dbraw/zinc/76/30/61/593763061.db2.gz NCZHYMMHYCTTCO-UHFFFAOYSA-N 1 0 329.360 1.603 20 5 EDBDRO C[NH+]1CCC2(CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C2)CC1 ZINC000819926800 593777536 /nfs/dbraw/zinc/77/75/36/593777536.db2.gz SXKNDKJSTNQKEO-UHFFFAOYSA-N 1 0 336.367 1.874 20 5 EDBDRO C[C@H]1C[C@H](N(C)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000820658297 593856038 /nfs/dbraw/zinc/85/60/38/593856038.db2.gz RGTWOXGXNVKCAM-CMPLNLGQSA-N 1 0 331.380 1.694 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC[C@H]21 ZINC000821624969 593886284 /nfs/dbraw/zinc/88/62/84/593886284.db2.gz BLWNUXMRVXPZKM-ZWNOBZJWSA-N 1 0 344.379 1.090 20 5 EDBDRO CC[NH+](CC)C[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821189640 593986025 /nfs/dbraw/zinc/98/60/25/593986025.db2.gz QYCQKHPBGXHWDH-GFCCVEGCSA-N 1 0 345.407 1.943 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821266678 594002079 /nfs/dbraw/zinc/00/20/79/594002079.db2.gz GDIPBXKMJMNMPS-LBPRGKRZSA-N 1 0 331.380 1.695 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000822933534 594124566 /nfs/dbraw/zinc/12/45/66/594124566.db2.gz JTEKQTQIZYDVRH-KGLIPLIRSA-N 1 0 333.388 1.493 20 5 EDBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825505592 594193973 /nfs/dbraw/zinc/19/39/73/594193973.db2.gz NELXPWFYULVWPP-BBRMVZONSA-N 1 0 335.404 1.865 20 5 EDBDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000828097523 594340351 /nfs/dbraw/zinc/34/03/51/594340351.db2.gz CYVGFSAOTKXVET-WBVHZDCISA-N 1 0 335.404 1.791 20 5 EDBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831158895 594571900 /nfs/dbraw/zinc/57/19/00/594571900.db2.gz NHLWZXFONMCGPY-HZPDHXFCSA-N 1 0 333.388 1.761 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000827335826 594662179 /nfs/dbraw/zinc/66/21/79/594662179.db2.gz ACMBGSAUZGBMDC-ZFWWWQNUSA-N 1 0 343.387 1.497 20 5 EDBDRO O=C(NC1CC([NH+]2CCCCC2)C1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831588264 594685717 /nfs/dbraw/zinc/68/57/17/594685717.db2.gz VGFAELOTMZNDKE-AVVWSFFYSA-N 1 0 333.388 1.761 20 5 EDBDRO CCO[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C[NH+](C)C ZINC000831730310 594697026 /nfs/dbraw/zinc/69/70/26/594697026.db2.gz BJJMYLSJKLBTLV-LLVKDONJSA-N 1 0 329.784 1.945 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000832217434 594736149 /nfs/dbraw/zinc/73/61/49/594736149.db2.gz GBHVWNKQWCFKIN-LBPRGKRZSA-N 1 0 331.376 1.403 20 5 EDBDRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841191602 594866152 /nfs/dbraw/zinc/86/61/52/594866152.db2.gz CBLWOVZJJVZPSX-UHFFFAOYSA-N 1 0 342.783 1.630 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000841201133 594867330 /nfs/dbraw/zinc/86/73/30/594867330.db2.gz QZBBSFHPHCKPNG-WCBMZHEXSA-N 1 0 338.339 1.177 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000841207996 594868369 /nfs/dbraw/zinc/86/83/69/594868369.db2.gz JZZGVQJUVWAVPY-BDAKNGLRSA-N 1 0 338.339 1.190 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841216502 594870223 /nfs/dbraw/zinc/87/02/23/594870223.db2.gz HJXLBGRTMWOVFA-UFBFGSQYSA-N 1 0 340.767 1.301 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCC1([NH+](C)C)CC1 ZINC000842046600 595009411 /nfs/dbraw/zinc/00/94/11/595009411.db2.gz DXMUOZXMLAPMOX-UHFFFAOYSA-N 1 0 338.320 1.796 20 5 EDBDRO CN(CC[NH+]1CCCCC1)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000845761437 595058720 /nfs/dbraw/zinc/05/87/20/595058720.db2.gz ORDOIGBGLBOHPH-UHFFFAOYSA-N 1 0 347.419 1.707 20 5 EDBDRO O=C(O[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842332597 595078697 /nfs/dbraw/zinc/07/86/97/595078697.db2.gz XYAFIOGRFLPCCS-GVDBMIGSSA-N 1 0 330.384 1.958 20 5 EDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000834296288 595084119 /nfs/dbraw/zinc/08/41/19/595084119.db2.gz VFJXDOXHUXCGQE-AWEZNQCLSA-N 1 0 333.392 1.776 20 5 EDBDRO CN1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000843357575 595085971 /nfs/dbraw/zinc/08/59/71/595085971.db2.gz LCTBJPQOFCQCDK-JTQLQIEISA-N 1 0 344.774 1.031 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCO1 ZINC000843356889 595086112 /nfs/dbraw/zinc/08/61/12/595086112.db2.gz GMKKFWKJQSKJNU-ISVAXAHUSA-N 1 0 345.758 1.504 20 5 EDBDRO O=C(CN1CC[C@@]2(CC[NH2+]C2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843368921 595089724 /nfs/dbraw/zinc/08/97/24/595089724.db2.gz SUDHCJRRRNCGBN-OAHLLOKOSA-N 1 0 338.795 1.872 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1F ZINC000842480345 595116959 /nfs/dbraw/zinc/11/69/59/595116959.db2.gz VDDKVXHFIMGVMC-NXEZZACHSA-N 1 0 331.369 1.448 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000843500886 595133085 /nfs/dbraw/zinc/13/30/85/595133085.db2.gz BXARCUYAIOEPIT-HNNXBMFYSA-N 1 0 334.332 1.780 20 5 EDBDRO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000842625861 595148010 /nfs/dbraw/zinc/14/80/10/595148010.db2.gz QDWFUUCUMMBSAT-YGRLFVJLSA-N 1 0 331.328 1.259 20 5 EDBDRO Cc1cc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1F ZINC000842894469 595228397 /nfs/dbraw/zinc/22/83/97/595228397.db2.gz HJGIKCTUVJUYHM-LLVKDONJSA-N 1 0 345.396 1.853 20 5 EDBDRO Cc1cc(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c(N)c([N+](=O)[O-])c1 ZINC000834854278 595231365 /nfs/dbraw/zinc/23/13/65/595231365.db2.gz UOWIBXCCUCAVGL-LBPRGKRZSA-N 1 0 348.403 1.313 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000843093306 595285736 /nfs/dbraw/zinc/28/57/36/595285736.db2.gz GIAAPDIDJVZXLL-WBVHZDCISA-N 1 0 334.347 1.961 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2COc3ccccc3[C@H]2O)c1 ZINC000843117600 595290936 /nfs/dbraw/zinc/29/09/36/595290936.db2.gz QZFSBENLLAPGGC-ZMSDIMECSA-N 1 0 330.340 1.712 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@]34C[NH2+]C[C@H]3COC4)n2)c1 ZINC000844917571 595413670 /nfs/dbraw/zinc/41/36/70/595413670.db2.gz SELBUHVQDKIVPI-ZBEGNZNMSA-N 1 0 346.343 1.065 20 5 EDBDRO C[NH+](C)CC(=O)N1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845466400 595502439 /nfs/dbraw/zinc/50/24/39/595502439.db2.gz YADAKZJVMJGPPQ-UHFFFAOYSA-N 1 0 344.774 1.598 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000849420380 595524200 /nfs/dbraw/zinc/52/42/00/595524200.db2.gz TYFHZNXCTPRHDT-SECBINFHSA-N 1 0 333.435 1.807 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCC2=C(CCC(=O)N2)C1 ZINC000853519940 595780445 /nfs/dbraw/zinc/78/04/45/595780445.db2.gz KVPNXMPMMWWECN-UHFFFAOYSA-N 1 0 344.327 1.330 20 5 EDBDRO O=C1CC[C@H]2C[N@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@@H]2N1 ZINC000853554849 595799300 /nfs/dbraw/zinc/79/93/00/595799300.db2.gz DQVDIKRHHOFOGP-FZMZJTMJSA-N 1 0 329.360 1.503 20 5 EDBDRO Cc1nn(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000853560177 595804528 /nfs/dbraw/zinc/80/45/28/595804528.db2.gz WFIFORCWFFOWDY-DOMZBBRYSA-N 1 0 343.387 1.811 20 5 EDBDRO C[C@]12COC[C@@H]1C[N@H+](Cn1cnc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000853567171 595807262 /nfs/dbraw/zinc/80/72/62/595807262.db2.gz ULVJAVACMUFIGV-BBRMVZONSA-N 1 0 329.360 1.779 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CCC[N@@H+]2CCOC)n1 ZINC000861036947 595873679 /nfs/dbraw/zinc/87/36/79/595873679.db2.gz UKOWJORKUPNQOL-NSHDSACASA-N 1 0 326.353 1.079 20 5 EDBDRO CC[C@@H]1CN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C[C@H](C)[NH2+]1 ZINC000856408122 595979696 /nfs/dbraw/zinc/97/96/96/595979696.db2.gz FRCVJDCYTJMLQT-OZVIIMIRSA-N 1 0 346.387 1.687 20 5 EDBDRO C[N@@H+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2F)CC1(C)C ZINC000854336804 596040459 /nfs/dbraw/zinc/04/04/59/596040459.db2.gz OOCSXLMRTDCZRX-UHFFFAOYSA-N 1 0 338.383 1.490 20 5 EDBDRO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)N1CC[NH+](C)CC1 ZINC000859364070 596066924 /nfs/dbraw/zinc/06/69/24/596066924.db2.gz FVOOGSWNIFIKTL-NSHDSACASA-N 1 0 340.811 1.614 20 5 EDBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CC(C[NH+](C)C)C1 ZINC000854722323 596174898 /nfs/dbraw/zinc/17/48/98/596174898.db2.gz SVFDGTJVQSHULV-UHFFFAOYSA-N 1 0 338.339 1.326 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1F ZINC000866762936 596328447 /nfs/dbraw/zinc/32/84/47/596328447.db2.gz AFMBINODMQWSSU-LLVKDONJSA-N 1 0 345.396 1.757 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c(C)cc1[N+](=O)[O-] ZINC000866824848 596366458 /nfs/dbraw/zinc/36/64/58/596366458.db2.gz UZYNCKJBWBRFOG-STQMWFEESA-N 1 0 339.417 1.727 20 5 EDBDRO COc1cc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000123415163 596421520 /nfs/dbraw/zinc/42/15/20/596421520.db2.gz IEUPJALYBHYZFD-JTQLQIEISA-N 1 0 329.378 1.024 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865170646 596498610 /nfs/dbraw/zinc/49/86/10/596498610.db2.gz GUGFTQYGJLXKPL-ZDUSSCGKSA-N 1 0 339.367 1.503 20 5 EDBDRO C[N@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322823 596550698 /nfs/dbraw/zinc/55/06/98/596550698.db2.gz QXGQHQZZEKJMNQ-BJHJDKERSA-N 1 0 330.348 1.007 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)NCCc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000868448261 596841474 /nfs/dbraw/zinc/84/14/74/596841474.db2.gz HHWXXNYOAWEOSZ-GOEBONIOSA-N 1 0 332.404 1.873 20 5 EDBDRO CC1(C)CO[C@@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000872243602 596850966 /nfs/dbraw/zinc/85/09/66/596850966.db2.gz QRTJOFSSPHAEPK-CYBMUJFWSA-N 1 0 342.417 1.773 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@H]21 ZINC000872726971 597048387 /nfs/dbraw/zinc/04/83/87/597048387.db2.gz XOWRYMUVWVBLLH-GDBMZVCRSA-N 1 0 342.403 1.837 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000872779059 597063595 /nfs/dbraw/zinc/06/35/95/597063595.db2.gz DKHNFKVXKNJJNB-ZIAGYGMSSA-N 1 0 329.360 1.917 20 5 EDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000874843563 597195786 /nfs/dbraw/zinc/19/57/86/597195786.db2.gz PWLNSYRKIFTWPJ-KGLIPLIRSA-N 1 0 329.360 1.780 20 5 EDBDRO C[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000126057713 597261546 /nfs/dbraw/zinc/26/15/46/597261546.db2.gz FUFJGWRRBUPVNV-SNVBAGLBSA-N 1 0 347.412 1.989 20 5 EDBDRO COc1cc(OCC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)ccc1[N+](=O)[O-] ZINC000877278898 597485715 /nfs/dbraw/zinc/48/57/15/597485715.db2.gz ATDOIWSBCMOBSS-QWHCGFSZSA-N 1 0 335.360 1.335 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C(F)(F)F ZINC000877369529 597503194 /nfs/dbraw/zinc/50/31/94/597503194.db2.gz VVZSLEMXMKNHNM-XCBNKYQSSA-N 1 0 335.257 1.943 20 5 EDBDRO COC(=O)[C@@H]1CN(Cc2c(C)ccc([N+](=O)[O-])c2C)CC[N@H+](C)C1 ZINC000877587102 597539394 /nfs/dbraw/zinc/53/93/94/597539394.db2.gz DVYSFIQUROEHIS-AWEZNQCLSA-N 1 0 335.404 1.748 20 5 EDBDRO CC(C)(C)N1C[C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1=O ZINC000877636042 597543203 /nfs/dbraw/zinc/54/32/03/597543203.db2.gz LCKIYUGDEHFWFP-HIFPTAJRSA-N 1 0 335.408 1.731 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000877720933 597551024 /nfs/dbraw/zinc/55/10/24/597551024.db2.gz XGHKOBWLQPNLTQ-BKHYPVAUSA-N 1 0 329.356 1.545 20 5 EDBDRO CN1CC[NH+](C2CCN(Cc3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000879594302 597650129 /nfs/dbraw/zinc/65/01/29/597650129.db2.gz DPYQZLRRNBIUHH-UHFFFAOYSA-N 1 0 336.411 1.946 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000881635480 597667320 /nfs/dbraw/zinc/66/73/20/597667320.db2.gz JHFQWFHWKTYVIZ-NSHDSACASA-N 1 0 344.375 1.383 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000881634867 597667403 /nfs/dbraw/zinc/66/74/03/597667403.db2.gz GDYRGACJVORJAG-GFCCVEGCSA-N 1 0 344.375 1.232 20 5 EDBDRO Cc1cncc([C@@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000879750794 597710739 /nfs/dbraw/zinc/71/07/39/597710739.db2.gz WDTGKRALGZVUPA-CVEARBPZSA-N 1 0 331.376 1.693 20 5 EDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000880135670 597852697 /nfs/dbraw/zinc/85/26/97/597852697.db2.gz YQUFSWKKITWPOD-IRXDYDNUSA-N 1 0 344.415 1.652 20 5 EDBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCN(CCc2cnccn2)CC1 ZINC000879420905 597912652 /nfs/dbraw/zinc/91/26/52/597912652.db2.gz RNYGLYLFTVWYFD-UHFFFAOYSA-N 1 0 345.378 1.884 20 5 EDBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000738358083 598469153 /nfs/dbraw/zinc/46/91/53/598469153.db2.gz KSFMIOZCVJUCCC-CYBMUJFWSA-N 1 0 343.391 1.840 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)c(-c2nn[nH]n2)c1 ZINC000738370014 598469236 /nfs/dbraw/zinc/46/92/36/598469236.db2.gz MINFWINJUNDGHW-CYBMUJFWSA-N 1 0 343.391 1.840 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000193248691 695667870 /nfs/dbraw/zinc/66/78/70/695667870.db2.gz ABOJGADSIIEOSP-UHFFFAOYSA-N 1 0 327.406 1.760 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(C)CCN(C(=O)c2ccoc2)CC1 ZINC000939950119 700065174 /nfs/dbraw/zinc/06/51/74/700065174.db2.gz FSPWAAZSTXWWQS-UHFFFAOYSA-N 1 0 347.375 1.706 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000918465504 697169484 /nfs/dbraw/zinc/16/94/84/697169484.db2.gz OSZOIXGZNPLHLB-ZDUSSCGKSA-N 1 0 348.403 1.832 20 5 EDBDRO O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCC[NH+]1CCCCC1 ZINC000919557820 697296672 /nfs/dbraw/zinc/29/66/72/697296672.db2.gz BAPXYASYPAYZNN-UHFFFAOYSA-N 1 0 349.343 1.532 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2nc3c(o2)CCCC3)CC1 ZINC000996441326 702770781 /nfs/dbraw/zinc/77/07/81/702770781.db2.gz PWUGCXHYLKMEII-TZMCWYRMSA-N 1 0 348.403 1.299 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2ccnc(Cl)c2)CC1 ZINC000996429885 702783857 /nfs/dbraw/zinc/78/38/57/702783857.db2.gz WPSSGDCRFURXDJ-CHWSQXEVSA-N 1 0 338.795 1.481 20 5 EDBDRO O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000996899270 703169718 /nfs/dbraw/zinc/16/97/18/703169718.db2.gz IKKKBJLLRDKCGN-FVQHAEBGSA-N 1 0 345.399 1.568 20 5 EDBDRO Cn1ccc(C(=O)N2CCC([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000997303177 703563356 /nfs/dbraw/zinc/56/33/56/703563356.db2.gz QQJNAMLSBLKOLI-UHFFFAOYSA-N 1 0 343.387 1.723 20 5 EDBDRO CCO[C@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)C[NH+](C)C ZINC000922757959 704317490 /nfs/dbraw/zinc/31/74/90/704317490.db2.gz YCZRQUDQKVBOQA-CYBMUJFWSA-N 1 0 339.392 1.422 20 5 EDBDRO Cc1nc(C)c(C[N@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001000673673 708060807 /nfs/dbraw/zinc/06/08/07/708060807.db2.gz IUMNRMGRFGQQID-ZIAGYGMSSA-N 1 0 334.376 1.205 20 5 EDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000921838301 708149094 /nfs/dbraw/zinc/14/90/94/708149094.db2.gz UADYAUIZIVLSEP-GFCCVEGCSA-N 1 0 326.784 1.794 20 5 EDBDRO O=C(NC1CC[NH+](CCc2ccccc2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002789967 709384541 /nfs/dbraw/zinc/38/45/41/709384541.db2.gz ZBPFDRBOYCXHGW-GDBMZVCRSA-N 1 0 335.379 1.614 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CC[C@H](NC(=O)C2(C)CC2)CC1 ZINC001034653947 710328871 /nfs/dbraw/zinc/32/88/71/710328871.db2.gz SSLOLQLOKRAKGI-HAQNSBGRSA-N 1 0 335.408 1.645 20 5 EDBDRO O=C(NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001003460646 710357472 /nfs/dbraw/zinc/35/74/72/710357472.db2.gz KJFPFYGICLYDAK-QLPKVWCKSA-N 1 0 345.399 1.568 20 5 EDBDRO O=[N+]([O-])c1c(NC[C@@H](O)C[NH+]2CCCCC2)nc2sccn21 ZINC000052131455 214119414 /nfs/dbraw/zinc/11/94/14/214119414.db2.gz GPWMJRZIBFSGOA-SNVBAGLBSA-N 1 0 325.394 1.563 20 5 EDBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000053303830 214176849 /nfs/dbraw/zinc/17/68/49/214176849.db2.gz RSWCMGVCLUPFHW-BETUJISGSA-N 1 0 337.424 1.664 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174529476 231233128 /nfs/dbraw/zinc/23/31/28/231233128.db2.gz KGXWOWFPCBCKEE-CQSZACIVSA-N 1 0 335.408 1.434 20 5 EDBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])C[C@@H]21 ZINC000153130229 529791415 /nfs/dbraw/zinc/79/14/15/529791415.db2.gz WUCNRPDSEWUEMM-HOTGVXAUSA-N 1 0 346.387 1.006 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066105878 215013185 /nfs/dbraw/zinc/01/31/85/215013185.db2.gz JYSOIPKNPDBNIR-AWEZNQCLSA-N 1 0 339.417 1.762 20 5 EDBDRO Cc1nn(C)c(C(=O)Nc2ccc(CC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000102731566 219226318 /nfs/dbraw/zinc/22/63/18/219226318.db2.gz RLWWEBXCMBYTBD-UHFFFAOYSA-N 1 0 331.376 1.993 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)CC)cc1OC ZINC000066958913 215099046 /nfs/dbraw/zinc/09/90/46/215099046.db2.gz FAKCZQHLMCTFMN-UHFFFAOYSA-N 1 0 325.365 1.684 20 5 EDBDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000103162211 219263716 /nfs/dbraw/zinc/26/37/16/219263716.db2.gz OPQZUENVXTUELQ-UHFFFAOYSA-N 1 0 331.369 1.450 20 5 EDBDRO CC[NH+](CC)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)CC(C)C ZINC000042547215 213513746 /nfs/dbraw/zinc/51/37/46/213513746.db2.gz LRGMPDUYIATEAA-ZDUSSCGKSA-N 1 0 325.413 1.664 20 5 EDBDRO CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000041277484 213438880 /nfs/dbraw/zinc/43/88/80/213438880.db2.gz NTYZZDKCQKNMPQ-UHFFFAOYSA-N 1 0 348.403 1.770 20 5 EDBDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000104076230 219346180 /nfs/dbraw/zinc/34/61/80/219346180.db2.gz LDHDSMAXWRCJPD-ZYHUDNBSSA-N 1 0 345.359 1.731 20 5 EDBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C2)CC1 ZINC000270272605 282720417 /nfs/dbraw/zinc/72/04/17/282720417.db2.gz UXWUXFTYZFNMRK-LBPRGKRZSA-N 1 0 334.376 1.499 20 5 EDBDRO C[C@H]1CCC[N@H+](CCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000069006806 215352102 /nfs/dbraw/zinc/35/21/02/215352102.db2.gz JZLSTKPYPPUFKF-LBPRGKRZSA-N 1 0 339.367 1.961 20 5 EDBDRO CCCC[N@H+](CCCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000271724689 535254545 /nfs/dbraw/zinc/25/45/45/535254545.db2.gz LRJHQOFJASIVGR-OAHLLOKOSA-N 1 0 326.393 1.819 20 5 EDBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000563166904 306321286 /nfs/dbraw/zinc/32/12/86/306321286.db2.gz WUBGCMSBHLLBBU-UHFFFAOYSA-N 1 0 344.371 1.134 20 5 EDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000563399781 306331828 /nfs/dbraw/zinc/33/18/28/306331828.db2.gz UVQDYBIBRKQTOU-UHFFFAOYSA-N 1 0 345.403 1.668 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)N3)c(C)cc1[N+](=O)[O-] ZINC000563445574 306333486 /nfs/dbraw/zinc/33/34/86/306333486.db2.gz HRIPTDYWCOHRHO-BETUJISGSA-N 1 0 339.417 1.727 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C[NH+]1CCCC1 ZINC000066333658 138176743 /nfs/dbraw/zinc/17/67/43/138176743.db2.gz XFAIEJLIILGDNR-JTQLQIEISA-N 1 0 333.435 1.667 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCOCC2)CC1 ZINC000082991792 138268475 /nfs/dbraw/zinc/26/84/75/138268475.db2.gz ZDQAPTJRLGOPDL-UHFFFAOYSA-N 1 0 348.403 1.330 20 5 EDBDRO C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cn(-c2ccccc2)nn1 ZINC000130993689 138351042 /nfs/dbraw/zinc/35/10/42/138351042.db2.gz GLJVJGFVVFORPW-GFCCVEGCSA-N 1 0 327.348 1.723 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000186734683 236001346 /nfs/dbraw/zinc/00/13/46/236001346.db2.gz BLHVFSXFERHCTC-XHDPSFHLSA-N 1 0 329.360 1.508 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@@H]12 ZINC000186920122 236064731 /nfs/dbraw/zinc/06/47/31/236064731.db2.gz WBKYVBCBZRQRKF-LERXQTSPSA-N 1 0 326.356 1.952 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150885613 283367727 /nfs/dbraw/zinc/36/77/27/283367727.db2.gz RLVBKAVDKFSWGQ-GFCCVEGCSA-N 1 0 333.392 1.543 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000564802692 306365661 /nfs/dbraw/zinc/36/56/61/306365661.db2.gz LBNJHWUJTYCVRR-UHFFFAOYSA-N 1 0 329.784 1.898 20 5 EDBDRO O=C(CC[NH2+]CCCN1C(=O)CCC1=O)Nc1ccccc1[N+](=O)[O-] ZINC000564844185 306366711 /nfs/dbraw/zinc/36/67/11/306366711.db2.gz JOKNNTFEJWNHRF-UHFFFAOYSA-N 1 0 348.359 1.052 20 5 EDBDRO CNC(=O)c1ccc(N2CC[NH+](C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000363658189 283477125 /nfs/dbraw/zinc/47/71/25/283477125.db2.gz MXJHOZUAJLSFFK-UHFFFAOYSA-N 1 0 348.403 1.255 20 5 EDBDRO O=C([C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000420155702 296014813 /nfs/dbraw/zinc/01/48/13/296014813.db2.gz UTJYPOURDOJHBS-GFCCVEGCSA-N 1 0 336.367 1.382 20 5 EDBDRO O=C(NCC[N@@H+]1CCCOCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000565523337 306385631 /nfs/dbraw/zinc/38/56/31/306385631.db2.gz VVJXIFPEWCJONQ-UHFFFAOYSA-N 1 0 348.403 1.385 20 5 EDBDRO C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000261665071 283652108 /nfs/dbraw/zinc/65/21/08/283652108.db2.gz GGYWSSMJDCAWAQ-WFASDCNBSA-N 1 0 348.403 1.232 20 5 EDBDRO CN(C)c1cccnc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000565829546 306392603 /nfs/dbraw/zinc/39/26/03/306392603.db2.gz XZRSLXYTPHXNLC-CYBMUJFWSA-N 1 0 346.387 1.585 20 5 EDBDRO COC(=O)[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000414483932 304118560 /nfs/dbraw/zinc/11/85/60/304118560.db2.gz GCSUUOQNLQJWNP-KEDPEKRHSA-N 1 0 333.388 1.645 20 5 EDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000193505540 138971189 /nfs/dbraw/zinc/97/11/89/138971189.db2.gz SKHJQCGMQGCKNH-RNCFNFMXSA-N 1 0 330.344 1.307 20 5 EDBDRO COc1cc(CN2CCCO[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000415115100 304160823 /nfs/dbraw/zinc/16/08/23/304160823.db2.gz UCLYZOQWCHERQR-GFCCVEGCSA-N 1 0 325.365 1.162 20 5 EDBDRO COc1ccc(CN2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1[N+](=O)[O-] ZINC000415119962 304161126 /nfs/dbraw/zinc/16/11/26/304161126.db2.gz FOVTZQVTFYCGQE-AWEZNQCLSA-N 1 0 346.391 1.491 20 5 EDBDRO CC(=O)NCCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236647825 139027570 /nfs/dbraw/zinc/02/75/70/139027570.db2.gz MPUFUNREVUEHNW-UHFFFAOYSA-N 1 0 331.376 1.611 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000237084595 139040199 /nfs/dbraw/zinc/04/01/99/139040199.db2.gz VAFRQDALWIYXBA-CYBMUJFWSA-N 1 0 343.387 1.852 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]([NH3+])C2CC2)cc1SC ZINC000237121452 139041326 /nfs/dbraw/zinc/04/13/26/139041326.db2.gz QRJFMFOOCIQCOO-SNVBAGLBSA-N 1 0 325.390 1.792 20 5 EDBDRO C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000237142645 139042039 /nfs/dbraw/zinc/04/20/39/139042039.db2.gz FQUPZDCICRXQIM-UHFFFAOYSA-N 1 0 327.284 1.111 20 5 EDBDRO COc1cc(OCC(=O)NCC2([NH3+])CCCCC2)ccc1[N+](=O)[O-] ZINC000237226191 139045083 /nfs/dbraw/zinc/04/50/83/139045083.db2.gz QJKJFASBKJYRRG-UHFFFAOYSA-N 1 0 337.376 1.760 20 5 EDBDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000111221278 220114361 /nfs/dbraw/zinc/11/43/61/220114361.db2.gz DGIIXHPPDFFAMU-DGCLKSJQSA-N 1 0 346.387 1.070 20 5 EDBDRO Cc1c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnn1C1CC[NH2+]CC1 ZINC000237728936 139058907 /nfs/dbraw/zinc/05/89/07/139058907.db2.gz CQYPWWXTQVCGEQ-UHFFFAOYSA-N 1 0 344.375 1.980 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000245837098 139086900 /nfs/dbraw/zinc/08/69/00/139086900.db2.gz WMELCHKAOIEZGE-OLZOCXBDSA-N 1 0 348.403 1.818 20 5 EDBDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000246099294 139094809 /nfs/dbraw/zinc/09/48/09/139094809.db2.gz ASHMCYWVGJUVAB-QLFBSQMISA-N 1 0 337.424 1.365 20 5 EDBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415317580 304193136 /nfs/dbraw/zinc/19/31/36/304193136.db2.gz PPCXLIWUCGBXDJ-LBPRGKRZSA-N 1 0 348.403 1.699 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c1 ZINC000251889084 139203181 /nfs/dbraw/zinc/20/31/81/139203181.db2.gz WTHAYUAKAMZFKV-RBSFLKMASA-N 1 0 334.380 1.122 20 5 EDBDRO C[NH2+][C@H](C)CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000261687829 139217700 /nfs/dbraw/zinc/21/77/00/139217700.db2.gz ICMMOFMIQVSSCY-SSDOTTSWSA-N 1 0 333.291 1.543 20 5 EDBDRO C[C@]1(C[NH3+])CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000261726219 139220991 /nfs/dbraw/zinc/22/09/91/139220991.db2.gz CPLAQYWWDBYLBM-MRXNPFEDSA-N 1 0 335.360 1.106 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000261811159 139228009 /nfs/dbraw/zinc/22/80/09/139228009.db2.gz ZSHXIMOQRAIFHL-KWQFWETISA-N 1 0 333.797 1.667 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000261840049 139230480 /nfs/dbraw/zinc/23/04/80/139230480.db2.gz YMYIKUAKYYGYCA-JQWIXIFHSA-N 1 0 343.405 1.494 20 5 EDBDRO COc1cc(CN2C[C@@H](C)[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000261926686 139237784 /nfs/dbraw/zinc/23/77/84/139237784.db2.gz CHWVOBNSTKLRLB-PSASIEDQSA-N 1 0 331.319 1.984 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000415564907 251017561 /nfs/dbraw/zinc/01/75/61/251017561.db2.gz CSQQYTBWWYHBIV-QGZVFWFLSA-N 1 0 348.403 1.602 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(c3cc(CN4CCOCC4)ccc3[N+](=O)[O-])C[C@H]12 ZINC000420228008 251649877 /nfs/dbraw/zinc/64/98/77/251649877.db2.gz KBDNMQVMFFSAKP-HRCADAONSA-N 1 0 346.431 1.601 20 5 EDBDRO C[NH2+][C@H]1CCN(c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)C1 ZINC000420156862 251621158 /nfs/dbraw/zinc/62/11/58/251621158.db2.gz GMTSTTKAXUIBJB-JTQLQIEISA-N 1 0 349.778 1.592 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000422871044 252006838 /nfs/dbraw/zinc/00/68/38/252006838.db2.gz ZPNRLSTZVKWLBS-QMTHXVAHSA-N 1 0 335.360 1.629 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415641300 304244917 /nfs/dbraw/zinc/24/49/17/304244917.db2.gz FVNQHIVDIZMQKB-NEPJUHHUSA-N 1 0 334.376 1.482 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000153533132 224118758 /nfs/dbraw/zinc/11/87/58/224118758.db2.gz XOSRQBQDYKUJSH-GFCCVEGCSA-N 1 0 336.348 1.978 20 5 EDBDRO C[C@@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000443455865 254581572 /nfs/dbraw/zinc/58/15/72/254581572.db2.gz RPOZRKNITXTXCV-RISCZKNCSA-N 1 0 327.406 1.484 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000415755424 304266175 /nfs/dbraw/zinc/26/61/75/304266175.db2.gz CXKHLOXAIKKIEA-CYBMUJFWSA-N 1 0 346.387 1.381 20 5 EDBDRO C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCN1CCO ZINC000490072890 255077508 /nfs/dbraw/zinc/07/75/08/255077508.db2.gz OKSZGGWXSCAVEN-NSHDSACASA-N 1 0 333.348 1.148 20 5 EDBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000495517597 255292860 /nfs/dbraw/zinc/29/28/60/255292860.db2.gz UEJNTURCOCIQGI-RYUDHWBXSA-N 1 0 325.369 1.248 20 5 EDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000118118303 221123244 /nfs/dbraw/zinc/12/32/44/221123244.db2.gz YSELOZHXVLTMGE-LBPRGKRZSA-N 1 0 336.392 1.688 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000415852243 304281965 /nfs/dbraw/zinc/28/19/65/304281965.db2.gz JHDNLPJYSFMWHG-QWHCGFSZSA-N 1 0 346.387 1.381 20 5 EDBDRO COc1ccc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000178106985 533304651 /nfs/dbraw/zinc/30/46/51/533304651.db2.gz CGLJNMXYWMYTNR-CYBMUJFWSA-N 1 0 349.387 1.398 20 5 EDBDRO Cc1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c(OCC[NH+](C)C)c1 ZINC000265624121 139491895 /nfs/dbraw/zinc/49/18/95/139491895.db2.gz KXGQXEMAKPZLQO-UHFFFAOYSA-N 1 0 347.375 1.679 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000270329334 140080177 /nfs/dbraw/zinc/08/01/77/140080177.db2.gz HOMOADCSJGJQNJ-CQSZACIVSA-N 1 0 336.392 1.157 20 5 EDBDRO COc1ccc(OCCN2CC[NH2+]C[C@H]2C(F)F)c([N+](=O)[O-])c1 ZINC000571762951 306573989 /nfs/dbraw/zinc/57/39/89/306573989.db2.gz WHKPWVDWDNWYHC-LBPRGKRZSA-N 1 0 331.319 1.521 20 5 EDBDRO Cc1n[nH]cc1CCC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571994398 306578805 /nfs/dbraw/zinc/57/88/05/306578805.db2.gz PWDZWVMENUZPJP-AWEZNQCLSA-N 1 0 334.376 1.588 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000331514453 141041155 /nfs/dbraw/zinc/04/11/55/141041155.db2.gz MSEQMAAYGIAHQH-LBPRGKRZSA-N 1 0 336.392 1.529 20 5 EDBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000331782752 141080514 /nfs/dbraw/zinc/08/05/14/141080514.db2.gz SMZOGTJECHPIPS-MGPQQGTHSA-N 1 0 335.408 1.655 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)cccc1[N+](=O)[O-] ZINC000331884204 141093712 /nfs/dbraw/zinc/09/37/12/141093712.db2.gz FLTJVYGYTHVXID-CVEARBPZSA-N 1 0 348.403 1.247 20 5 EDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000332241962 141145753 /nfs/dbraw/zinc/14/57/53/141145753.db2.gz JJNVQLAZICIUGS-QWHCGFSZSA-N 1 0 332.404 1.508 20 5 EDBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000332368284 141169956 /nfs/dbraw/zinc/16/99/56/141169956.db2.gz XYWIYNCXKCDRLW-WWGRRREGSA-N 1 0 347.415 1.965 20 5 EDBDRO CCOc1ccc(C(=O)NCC[N@H+](C)CCOC)cc1[N+](=O)[O-] ZINC000339299825 142007334 /nfs/dbraw/zinc/00/73/34/142007334.db2.gz ZJSIHOXYMFXLFS-UHFFFAOYSA-N 1 0 325.365 1.302 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cnn(C)c1 ZINC000341461152 142568382 /nfs/dbraw/zinc/56/83/82/142568382.db2.gz PHHQZHHFORIRMV-LBPRGKRZSA-N 1 0 331.376 1.878 20 5 EDBDRO CC[NH+]1C[C@H](C)N(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000344419476 142964522 /nfs/dbraw/zinc/96/45/22/142964522.db2.gz JHYNZUZPBFAXMG-RYUDHWBXSA-N 1 0 337.424 1.739 20 5 EDBDRO CCS(=O)(=O)NCCC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344882745 143023440 /nfs/dbraw/zinc/02/34/40/143023440.db2.gz XVCUCQSETJSDAL-JLHYYAGUSA-N 1 0 341.433 1.917 20 5 EDBDRO O=C(c1ccc(NCC[NH+]2CCCC2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000345326484 143078175 /nfs/dbraw/zinc/07/81/75/143078175.db2.gz HOFRVRBYBQQEJE-UHFFFAOYSA-N 1 0 348.403 1.575 20 5 EDBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cs1 ZINC000345691619 143122074 /nfs/dbraw/zinc/12/20/74/143122074.db2.gz JGENFGMAFIXHOP-YPMHNXCESA-N 1 0 346.430 1.482 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000347317264 143307607 /nfs/dbraw/zinc/30/76/07/143307607.db2.gz JDVGFUGBJQRCMN-YGRLFVJLSA-N 1 0 334.336 1.304 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000572596296 306594158 /nfs/dbraw/zinc/59/41/58/306594158.db2.gz WDVGOIRXCKOTGT-DJIMGWMZSA-N 1 0 346.387 1.662 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000360746776 292184803 /nfs/dbraw/zinc/18/48/03/292184803.db2.gz QCZKHWANJMMDLM-STQMWFEESA-N 1 0 341.433 1.910 20 5 EDBDRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000353108023 149289617 /nfs/dbraw/zinc/28/96/17/149289617.db2.gz GMPSYZHHAXFKSV-CYBMUJFWSA-N 1 0 345.396 1.638 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc([N+](=O)[O-])ccc3OC)[C@H]2C1 ZINC000355379356 150243284 /nfs/dbraw/zinc/24/32/84/150243284.db2.gz IHMHEZHPZYCHBT-HOCLYGCPSA-N 1 0 349.387 1.539 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3nnc4n3CCC4)CC2)n1 ZINC000370025455 155287281 /nfs/dbraw/zinc/28/72/81/155287281.db2.gz FGFXDOBJJHZRSJ-UHFFFAOYSA-N 1 0 331.380 1.209 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000357072084 150911895 /nfs/dbraw/zinc/91/18/95/150911895.db2.gz DFWIKFQFYWEGOC-QWHCGFSZSA-N 1 0 348.403 1.473 20 5 EDBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357504791 151050405 /nfs/dbraw/zinc/05/04/05/151050405.db2.gz QJOPZAHKWKXHCS-LBPRGKRZSA-N 1 0 333.392 1.257 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H](CCO)C1 ZINC000357824421 151162962 /nfs/dbraw/zinc/16/29/62/151162962.db2.gz CKPNGFOFQCKWOA-GFCCVEGCSA-N 1 0 335.360 1.597 20 5 EDBDRO C[C@H](CCNC(=O)c1nn(C)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000357915403 151194113 /nfs/dbraw/zinc/19/41/13/151194113.db2.gz UKVUXDJHPXEFHI-CYBMUJFWSA-N 1 0 345.403 1.969 20 5 EDBDRO Cc1nn(C)c(-c2nc(CC3=[NH+][C@@H]4CCCC[C@H]4N3)no2)c1[N+](=O)[O-] ZINC000357948329 151207192 /nfs/dbraw/zinc/20/71/92/151207192.db2.gz MLTHVMWVTAXQQO-NXEZZACHSA-N 1 0 345.363 1.542 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC[N@@H+]1C ZINC000357974051 151217781 /nfs/dbraw/zinc/21/77/81/151217781.db2.gz LSCZVPQXMVIIDP-GXTWGEPZSA-N 1 0 348.403 1.982 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000370090459 155318167 /nfs/dbraw/zinc/31/81/67/155318167.db2.gz GRNLXPJBIPAZJL-CLLJXQQHSA-N 1 0 339.417 1.854 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000360651717 152138999 /nfs/dbraw/zinc/13/89/99/152138999.db2.gz IMKFIEOZSBHDDR-NEPJUHHUSA-N 1 0 327.406 1.664 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000360958723 152264484 /nfs/dbraw/zinc/26/44/84/152264484.db2.gz DGGSUCUFOHCNMP-CYBMUJFWSA-N 1 0 338.456 1.805 20 5 EDBDRO O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000361102624 152305378 /nfs/dbraw/zinc/30/53/78/152305378.db2.gz ABQSJCQBVLINDO-BXUZGUMPSA-N 1 0 329.360 1.589 20 5 EDBDRO CC[NH+]1CCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2NC)CC1 ZINC000361141451 152318388 /nfs/dbraw/zinc/31/83/88/152318388.db2.gz IKQZKPLOYHMSEO-UHFFFAOYSA-N 1 0 349.435 1.394 20 5 EDBDRO C[NH2+]CCN(C)C(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000362088795 152610615 /nfs/dbraw/zinc/61/06/15/152610615.db2.gz YKBWQKPYQOKJLF-DOTOQJQBSA-N 1 0 346.431 1.804 20 5 EDBDRO CCCN(C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000417178490 304381188 /nfs/dbraw/zinc/38/11/88/304381188.db2.gz DUNBRIUOIIOANJ-CYBMUJFWSA-N 1 0 336.392 1.887 20 5 EDBDRO COCCC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000363635443 153019015 /nfs/dbraw/zinc/01/90/15/153019015.db2.gz WUHRLLTXZCVOSR-UHFFFAOYSA-N 1 0 339.367 1.918 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000364114506 153148224 /nfs/dbraw/zinc/14/82/24/153148224.db2.gz LOSSBBGEWZUCDM-OAHLLOKOSA-N 1 0 348.403 1.832 20 5 EDBDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000364599757 153283380 /nfs/dbraw/zinc/28/33/80/153283380.db2.gz ANHINSBLKVZXPS-CMDGGOBGSA-N 1 0 347.415 1.913 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000364675005 153300764 /nfs/dbraw/zinc/30/07/64/153300764.db2.gz RBMBJHVLGIORFP-DRPJVOAASA-N 1 0 349.435 1.317 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)n1 ZINC000366223261 292286481 /nfs/dbraw/zinc/28/64/81/292286481.db2.gz RRGTWOWGKZAWDD-OAHLLOKOSA-N 1 0 333.436 1.762 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)n1 ZINC000367557724 154175234 /nfs/dbraw/zinc/17/52/34/154175234.db2.gz SSUWJUWOAKVVBG-AWEZNQCLSA-N 1 0 343.387 1.675 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000367824305 154285669 /nfs/dbraw/zinc/28/56/69/154285669.db2.gz QPEXLTWLPXEOGB-CYBMUJFWSA-N 1 0 341.389 1.024 20 5 EDBDRO C[C@@H](CO)[N@@H+]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000367827799 154288091 /nfs/dbraw/zinc/28/80/91/154288091.db2.gz YJZMCRVCBKRSRZ-JTQLQIEISA-N 1 0 337.405 1.492 20 5 EDBDRO CN1C(=O)[C@@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000369452200 155040284 /nfs/dbraw/zinc/04/02/84/155040284.db2.gz NQLZFQFKSZNBHU-LBPRGKRZSA-N 1 0 338.751 1.326 20 5 EDBDRO Cc1cc(N2CCC(N3CCN(C)CC3=O)CC2)ncc1[N+](=O)[O-] ZINC000371600008 156023779 /nfs/dbraw/zinc/02/37/79/156023779.db2.gz ZRVYXWZMHIEEHT-UHFFFAOYSA-N 1 0 333.392 1.041 20 5 EDBDRO C[NH2+]CCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000372025772 156214883 /nfs/dbraw/zinc/21/48/83/156214883.db2.gz LUPLIFJHCYGRMI-DOTOQJQBSA-N 1 0 346.431 1.852 20 5 EDBDRO Cc1c(CC(=O)N2CCCN(CC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000372178864 156258301 /nfs/dbraw/zinc/25/83/01/156258301.db2.gz BTGVKAVKMWSZPI-UHFFFAOYSA-N 1 0 348.447 1.542 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000374183580 157184504 /nfs/dbraw/zinc/18/45/04/157184504.db2.gz OTXWSLHOLPGURZ-SECBINFHSA-N 1 0 347.368 1.163 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000378396612 158163748 /nfs/dbraw/zinc/16/37/48/158163748.db2.gz OUXDGVNELSOYID-UHFFFAOYSA-N 1 0 328.328 1.653 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000261950896 286919121 /nfs/dbraw/zinc/91/91/21/286919121.db2.gz MXCRGANMLCCKAC-GHMZBOCLSA-N 1 0 327.406 1.562 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360928055 162299548 /nfs/dbraw/zinc/29/95/48/162299548.db2.gz QOLDHEBVWHIPQY-ZLKJLUDKSA-N 1 0 332.360 1.252 20 5 EDBDRO CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)N1CC[NH+](C)CC1 ZINC000075850734 287279307 /nfs/dbraw/zinc/27/93/07/287279307.db2.gz QHMKHFKFLSLDCQ-LBPRGKRZSA-N 1 0 340.449 1.658 20 5 EDBDRO Cc1c(NC(=O)CC[N@H+](C)CCN2CCCC2=O)cccc1[N+](=O)[O-] ZINC000112703659 287341392 /nfs/dbraw/zinc/34/13/92/287341392.db2.gz SUKQOUNUNDVWAF-UHFFFAOYSA-N 1 0 348.403 1.786 20 5 EDBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCC3C[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000261996497 287360507 /nfs/dbraw/zinc/36/05/07/287360507.db2.gz ZHILWDQZGUJOJZ-GFCCVEGCSA-N 1 0 332.404 1.780 20 5 EDBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000126166993 287417104 /nfs/dbraw/zinc/41/71/04/287417104.db2.gz CUUXXCVPGLWTKH-TZMCWYRMSA-N 1 0 332.404 1.923 20 5 EDBDRO COc1ccc(NC(=O)C[N@H+](C)CCCn2ccnc2)c([N+](=O)[O-])c1 ZINC000124208559 222391187 /nfs/dbraw/zinc/39/11/87/222391187.db2.gz GJHXWMNHZCABLU-UHFFFAOYSA-N 1 0 347.375 1.761 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)n1 ZINC000191756779 272981364 /nfs/dbraw/zinc/98/13/64/272981364.db2.gz DNVVCEXYECSQLC-SNVBAGLBSA-N 1 0 337.405 1.905 20 5 EDBDRO CC1(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000193377517 272991938 /nfs/dbraw/zinc/99/19/38/272991938.db2.gz HNPUIQBOHWQCGJ-UHFFFAOYSA-N 1 0 327.406 1.404 20 5 EDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000237328307 267928715 /nfs/dbraw/zinc/92/87/15/267928715.db2.gz DMFDLGDOKCAWMN-MRVPVSSYSA-N 1 0 330.182 1.943 20 5 EDBDRO O=C(NC[C@H]1CC[NH2+]C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000273079705 267974250 /nfs/dbraw/zinc/97/42/50/267974250.db2.gz XHZMXKNOPWQCJQ-QMMMGPOBSA-N 1 0 328.166 1.697 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]12 ZINC000273367147 268036489 /nfs/dbraw/zinc/03/64/89/268036489.db2.gz CFFNTWLGQWYIBM-MVWJERBFSA-N 1 0 333.344 1.175 20 5 EDBDRO COCCO[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000275553547 268359646 /nfs/dbraw/zinc/35/96/46/268359646.db2.gz NBQPUSTUXITXGD-GDBMZVCRSA-N 1 0 340.376 1.072 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000273466407 273041717 /nfs/dbraw/zinc/04/17/17/273041717.db2.gz WTTJHYLQXWYFMC-ACCUITESSA-N 1 0 333.388 1.571 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000156212219 272928815 /nfs/dbraw/zinc/92/88/15/272928815.db2.gz OZUYDHBVATVSAC-NEPJUHHUSA-N 1 0 327.406 1.583 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000277746260 273222324 /nfs/dbraw/zinc/22/23/24/273222324.db2.gz YMLSKZLEOUDCHS-IUODEOHRSA-N 1 0 332.404 1.923 20 5 EDBDRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000278016704 273240969 /nfs/dbraw/zinc/24/09/69/273240969.db2.gz ADUCATSZFAOLFW-NVXWUHKLSA-N 1 0 338.404 1.483 20 5 EDBDRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000278908423 273270330 /nfs/dbraw/zinc/27/03/30/273270330.db2.gz ZDYBLGKNPDJUAD-CQDKDKBSSA-N 1 0 337.376 1.705 20 5 EDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000279224788 273285693 /nfs/dbraw/zinc/28/56/93/273285693.db2.gz PLHVUCSSLXWMNY-SNVBAGLBSA-N 1 0 326.372 1.870 20 5 EDBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000279761100 273324460 /nfs/dbraw/zinc/32/44/60/273324460.db2.gz MEUVLQPUYLSRGQ-LZWOXQAQSA-N 1 0 338.404 1.960 20 5 EDBDRO C[C@H]1OCC[C@@]12C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCO2 ZINC000280324012 273356951 /nfs/dbraw/zinc/35/69/51/273356951.db2.gz GXGIKAUCEDUFPX-CXAGYDPISA-N 1 0 349.387 1.803 20 5 EDBDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000282391677 273642254 /nfs/dbraw/zinc/64/22/54/273642254.db2.gz OZTTVVJVJDAZTN-QPUJVOFHSA-N 1 0 342.193 1.972 20 5 EDBDRO C[NH+](C)[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@H]1O ZINC000359952391 273811099 /nfs/dbraw/zinc/81/10/99/273811099.db2.gz LZWTVPMMDSZMCO-HUUCEWRRSA-N 1 0 328.372 1.768 20 5 EDBDRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC(=O)N1C ZINC000284429439 274198830 /nfs/dbraw/zinc/19/88/30/274198830.db2.gz DMFOHOBZSKEKMN-CZUORRHYSA-N 1 0 329.360 1.390 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)[C@H]2C1 ZINC000284462746 274210979 /nfs/dbraw/zinc/21/09/79/274210979.db2.gz AOHMWNSZYQUFME-JKSUJKDBSA-N 1 0 349.387 1.366 20 5 EDBDRO Cc1c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000186709030 274660081 /nfs/dbraw/zinc/66/00/81/274660081.db2.gz MWXLYSXISNZAPF-QPUJVOFHSA-N 1 0 336.348 1.848 20 5 EDBDRO [NH3+]CC[C@@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(F)F ZINC000420452754 274946353 /nfs/dbraw/zinc/94/63/53/274946353.db2.gz CLJQFDIMWFLJIC-SNVBAGLBSA-N 1 0 337.348 1.039 20 5 EDBDRO CC[NH+]1CCN([C@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000122979379 276202237 /nfs/dbraw/zinc/20/22/37/276202237.db2.gz UMJYYVSDJCELAI-LBPRGKRZSA-N 1 0 339.827 1.859 20 5 EDBDRO CN1CC[NH+](C[C@@H]2CCCN(c3ccc(N)cc3[N+](=O)[O-])C2)CC1 ZINC000376184961 276927493 /nfs/dbraw/zinc/92/74/93/276927493.db2.gz DBANMYXJQMCAAS-AWEZNQCLSA-N 1 0 333.436 1.641 20 5 EDBDRO C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000261665069 277293589 /nfs/dbraw/zinc/29/35/89/277293589.db2.gz GGYWSSMJDCAWAQ-SWLSCSKDSA-N 1 0 348.403 1.232 20 5 EDBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000249180420 278260126 /nfs/dbraw/zinc/26/01/26/278260126.db2.gz NBTZURGZISWNGR-STQMWFEESA-N 1 0 341.433 1.994 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000122127734 279403843 /nfs/dbraw/zinc/40/38/43/279403843.db2.gz AHMSBXCBBXVDGL-BONVTDFDSA-N 1 0 344.371 1.778 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000428524952 280198651 /nfs/dbraw/zinc/19/86/51/280198651.db2.gz XSZRVYBJRKTXOU-VXGBXAGGSA-N 1 0 338.412 1.025 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000353493416 288575226 /nfs/dbraw/zinc/57/52/26/288575226.db2.gz NDELOLRIWKKPJT-WDEREUQCSA-N 1 0 327.406 1.528 20 5 EDBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290144291 288847730 /nfs/dbraw/zinc/84/77/30/288847730.db2.gz MRRZWNAMAUKPCY-CABCVRRESA-N 1 0 344.415 1.877 20 5 EDBDRO O=C(CC[N@@H+]1CCC(F)(F)[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000291771306 289175899 /nfs/dbraw/zinc/17/58/99/289175899.db2.gz LSGVWOOYPVCRCQ-NSHDSACASA-N 1 0 343.330 1.873 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000292456079 289352487 /nfs/dbraw/zinc/35/24/87/289352487.db2.gz LJGRDSOGJAAGMC-JQWIXIFHSA-N 1 0 334.332 1.635 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418597976 304516644 /nfs/dbraw/zinc/51/66/44/304516644.db2.gz QCUPJLMBDPQALQ-CZUORRHYSA-N 1 0 347.419 1.424 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000419271027 304584862 /nfs/dbraw/zinc/58/48/62/304584862.db2.gz OGFQPBNVBOTREZ-SCRDCRAPSA-N 1 0 348.403 1.324 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000447245675 299000122 /nfs/dbraw/zinc/00/01/22/299000122.db2.gz FGIWVPKAQDEOLL-IUCAKERBSA-N 1 0 333.797 1.606 20 5 EDBDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000419762078 304681484 /nfs/dbraw/zinc/68/14/84/304681484.db2.gz RHXDWTLKJHAMEL-ZDUSSCGKSA-N 1 0 336.392 1.153 20 5 EDBDRO Cc1cc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000375089105 301098352 /nfs/dbraw/zinc/09/83/52/301098352.db2.gz HQVCGZRBORYBKI-LBPRGKRZSA-N 1 0 334.376 1.704 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420299741 304746018 /nfs/dbraw/zinc/74/60/18/304746018.db2.gz BPIMXLPYRUZPAT-HNNXBMFYSA-N 1 0 339.417 1.054 20 5 EDBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420432899 304757605 /nfs/dbraw/zinc/75/76/05/304757605.db2.gz BZPSTPUDYMCDGL-QMMMGPOBSA-N 1 0 341.311 1.629 20 5 EDBDRO C[C@H](CCC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000420448250 304759705 /nfs/dbraw/zinc/75/97/05/304759705.db2.gz WHGGXHLGJGBGOR-SNVBAGLBSA-N 1 0 338.389 1.549 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)c([N+](=O)[O-])c1 ZINC000420449852 304760283 /nfs/dbraw/zinc/76/02/83/304760283.db2.gz TXRDGUWJJCXQGZ-NSHDSACASA-N 1 0 335.332 1.179 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420477955 304763720 /nfs/dbraw/zinc/76/37/20/304763720.db2.gz KJJAQFNOZUKSQO-YPMHNXCESA-N 1 0 341.433 1.817 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420485310 304764439 /nfs/dbraw/zinc/76/44/39/304764439.db2.gz ZQGKEXUPFGDEGL-RYUDHWBXSA-N 1 0 327.406 1.509 20 5 EDBDRO CCc1n[nH]c(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000293666478 303000539 /nfs/dbraw/zinc/00/05/39/303000539.db2.gz JVNNMCXOSCQQRI-NSHDSACASA-N 1 0 335.408 1.827 20 5 EDBDRO O=C(NCCCCC[NH+]1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000293720298 303009124 /nfs/dbraw/zinc/00/91/24/303009124.db2.gz OFININBZZMUSLJ-UHFFFAOYSA-N 1 0 348.403 1.916 20 5 EDBDRO CN(CC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccccc1[N+](=O)[O-] ZINC000294157779 303070701 /nfs/dbraw/zinc/07/07/01/303070701.db2.gz NWTZWTJMTWJYEW-GOSISDBHSA-N 1 0 346.431 1.975 20 5 EDBDRO Cc1cnccc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000295407953 303215124 /nfs/dbraw/zinc/21/51/24/303215124.db2.gz MVDZKPRBFLXNFA-UHFFFAOYSA-N 1 0 335.385 1.862 20 5 EDBDRO C[C@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295484463 303225463 /nfs/dbraw/zinc/22/54/63/303225463.db2.gz ZIKUIABDVBDMOF-CQSZACIVSA-N 1 0 346.431 1.974 20 5 EDBDRO [NH3+][C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[C@H]1c1ccc(F)cc1 ZINC000297110902 303360480 /nfs/dbraw/zinc/36/04/80/303360480.db2.gz FVYIVWCELXJITK-UONOGXRCSA-N 1 0 347.350 1.274 20 5 EDBDRO Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000297705627 303431573 /nfs/dbraw/zinc/43/15/73/303431573.db2.gz BBDMQHJQYKBIOF-UHFFFAOYSA-N 1 0 348.403 1.834 20 5 EDBDRO CS[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1[NH+](C)C ZINC000330644126 303771842 /nfs/dbraw/zinc/77/18/42/303771842.db2.gz FIWNCTLVBHMLGP-RYUDHWBXSA-N 1 0 341.437 1.030 20 5 EDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000423953489 304920754 /nfs/dbraw/zinc/92/07/54/304920754.db2.gz MHGOVYQIJTVVSK-CQSZACIVSA-N 1 0 337.376 1.398 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@@]1(C)C[NH3+] ZINC000423977256 304921911 /nfs/dbraw/zinc/92/19/11/304921911.db2.gz VBWHUDXYIXXJMN-SJKOYZFVSA-N 1 0 343.387 1.837 20 5 EDBDRO Nc1c(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000424002882 304924464 /nfs/dbraw/zinc/92/44/64/304924464.db2.gz OUISSZOPCCMTFZ-XJKSGUPXSA-N 1 0 348.403 1.536 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000428679924 305014463 /nfs/dbraw/zinc/01/44/63/305014463.db2.gz LZPSFIFJSZSUAZ-GFCCVEGCSA-N 1 0 341.433 1.919 20 5 EDBDRO COc1cc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1OC ZINC000428975950 305021364 /nfs/dbraw/zinc/02/13/64/305021364.db2.gz KNQHBXVEGJAYRA-WDEREUQCSA-N 1 0 337.376 1.730 20 5 EDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000429013206 305022327 /nfs/dbraw/zinc/02/23/27/305022327.db2.gz WDOVVOKPKNMTDM-LBPRGKRZSA-N 1 0 335.360 1.248 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CO)CC(F)F ZINC000429463982 305030305 /nfs/dbraw/zinc/03/03/05/305030305.db2.gz UYLHBJGEZLWKCI-MWLCHTKSSA-N 1 0 331.319 1.918 20 5 EDBDRO O=C1[C@H]([NH2+][C@@H]2CCC[C@@H]2CCO)CCN1c1cccc([N+](=O)[O-])c1 ZINC000429772783 305036865 /nfs/dbraw/zinc/03/68/65/305036865.db2.gz YAABBECFZOAQBP-DAXOMENPSA-N 1 0 333.388 1.841 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430644787 305061009 /nfs/dbraw/zinc/06/10/09/305061009.db2.gz ZHMKXISYTVNEKB-RYUDHWBXSA-N 1 0 336.392 1.601 20 5 EDBDRO COc1cc(C(=O)N(C)[C@H]2CCC[NH2+]CC2)cc([N+](=O)[O-])c1OC ZINC000435742630 305146703 /nfs/dbraw/zinc/14/67/03/305146703.db2.gz WFRJIYOMNFHZMW-LBPRGKRZSA-N 1 0 337.376 1.826 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1C ZINC000440443807 305207009 /nfs/dbraw/zinc/20/70/09/305207009.db2.gz RJPJJUQLPWYKCP-CYBMUJFWSA-N 1 0 339.417 1.727 20 5 EDBDRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000440506146 305208524 /nfs/dbraw/zinc/20/85/24/305208524.db2.gz DEFPRRHHXWAYCI-QGZVFWFLSA-N 1 0 344.371 1.290 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000440766807 305212507 /nfs/dbraw/zinc/21/25/07/305212507.db2.gz ZDEBZNOGEBSELY-QWHCGFSZSA-N 1 0 341.433 1.878 20 5 EDBDRO COc1cc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000440819949 305212975 /nfs/dbraw/zinc/21/29/75/305212975.db2.gz NGPMFCUMTSJQNQ-SNVBAGLBSA-N 1 0 329.378 1.024 20 5 EDBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000443222885 305237037 /nfs/dbraw/zinc/23/70/37/305237037.db2.gz YTNLUGRKLJFQKI-CQSZACIVSA-N 1 0 341.433 1.994 20 5 EDBDRO Cn1c(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000443805935 305241614 /nfs/dbraw/zinc/24/16/14/305241614.db2.gz NGQBPVAMRCQUOA-ZDUSSCGKSA-N 1 0 336.392 1.260 20 5 EDBDRO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000444378138 305247740 /nfs/dbraw/zinc/24/77/40/305247740.db2.gz ZOWTXWIXYBGBAQ-SNVBAGLBSA-N 1 0 327.406 1.574 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446898412 305271741 /nfs/dbraw/zinc/27/17/41/305271741.db2.gz BLEKRJHRUOHEHV-NSHDSACASA-N 1 0 346.391 1.564 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000447250313 305276172 /nfs/dbraw/zinc/27/61/72/305276172.db2.gz WBLHUMOKCFKSMP-NEPJUHHUSA-N 1 0 327.406 1.569 20 5 EDBDRO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1CC[NH+](C)CC1 ZINC000448553558 305298181 /nfs/dbraw/zinc/29/81/81/305298181.db2.gz CHQOOHFXJVAZAQ-UHFFFAOYSA-N 1 0 343.387 1.947 20 5 EDBDRO CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449133508 305307329 /nfs/dbraw/zinc/30/73/29/305307329.db2.gz YSCQOEJEXCXXIW-LBPRGKRZSA-N 1 0 329.422 1.443 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000449670107 305316634 /nfs/dbraw/zinc/31/66/34/305316634.db2.gz ONWSGYIEDDBCBC-ZBFHGGJFSA-N 1 0 333.388 1.872 20 5 EDBDRO CNc1c(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cccc1[N+](=O)[O-] ZINC000452372091 305394381 /nfs/dbraw/zinc/39/43/81/305394381.db2.gz UOTFMUNAXZVDRC-LBPRGKRZSA-N 1 0 336.392 1.213 20 5 EDBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000452394521 305397804 /nfs/dbraw/zinc/39/78/04/305397804.db2.gz VJDVTQLFQRPOLA-LBPRGKRZSA-N 1 0 341.795 1.825 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)Cn3ccnn3)o2)cc1 ZINC000459686909 305523104 /nfs/dbraw/zinc/52/31/04/305523104.db2.gz BEOVKTPXWAZJIX-CQSZACIVSA-N 1 0 343.343 1.597 20 5 EDBDRO O=C(NCCC[NH+]1CCCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000517999995 305758058 /nfs/dbraw/zinc/75/80/58/305758058.db2.gz JTVUDKYUOMWLFX-UHFFFAOYSA-N 1 0 335.360 1.929 20 5 EDBDRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])[C@H](C)C2)s1 ZINC000377793462 447359856 /nfs/dbraw/zinc/35/98/56/447359856.db2.gz SHFAUIDSIMCZMC-QQUHWDOBSA-N 1 0 338.433 1.443 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000521005413 305784468 /nfs/dbraw/zinc/78/44/68/305784468.db2.gz ZDIPGMQIGFGVOG-CHWSQXEVSA-N 1 0 336.392 1.790 20 5 EDBDRO CN(C)c1cc[nH+]cc1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000545379218 306084768 /nfs/dbraw/zinc/08/47/68/306084768.db2.gz ZHFKDLVWGVDQTI-UHFFFAOYSA-N 1 0 330.344 1.865 20 5 EDBDRO C[NH+]1CCN(Cc2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2)CC1 ZINC000046933831 441137870 /nfs/dbraw/zinc/13/78/70/441137870.db2.gz ROVPHAAZACISHQ-UHFFFAOYSA-N 1 0 343.387 1.923 20 5 EDBDRO CN(CC[NH+](C)C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000080684770 441189149 /nfs/dbraw/zinc/18/91/49/441189149.db2.gz NWKTYLQOKMWFNI-UHFFFAOYSA-N 1 0 331.376 1.557 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC000104747744 441203589 /nfs/dbraw/zinc/20/35/89/441203589.db2.gz XHMGZCGHHRAKOB-CYBMUJFWSA-N 1 0 341.433 1.784 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CCC([NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000072027699 441203877 /nfs/dbraw/zinc/20/38/77/441203877.db2.gz DYAGBAPRTKGXPA-UHFFFAOYSA-N 1 0 349.387 1.938 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000104748250 441204339 /nfs/dbraw/zinc/20/43/39/441204339.db2.gz GXAAMUOJSLWDCW-LLVKDONJSA-N 1 0 343.405 1.176 20 5 EDBDRO COCC[N@H+](C)CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000061379507 441270911 /nfs/dbraw/zinc/27/09/11/441270911.db2.gz ASNRGTMKRXDIRW-UHFFFAOYSA-N 1 0 333.186 1.742 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000023617875 441297406 /nfs/dbraw/zinc/29/74/06/441297406.db2.gz LPALXMSBITVRNE-UHFFFAOYSA-N 1 0 331.380 1.087 20 5 EDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000083199794 441354731 /nfs/dbraw/zinc/35/47/31/441354731.db2.gz YPZQTKANAMUEGM-UHFFFAOYSA-N 1 0 348.403 1.601 20 5 EDBDRO CC(=O)N1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000026339920 441375380 /nfs/dbraw/zinc/37/53/80/441375380.db2.gz LOVSNRLEMDYXFZ-UHFFFAOYSA-N 1 0 334.376 1.478 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CC[NH+](C2CC2)CC1 ZINC000030330811 441490629 /nfs/dbraw/zinc/49/06/29/441490629.db2.gz PUODOSIDUSYJOF-UHFFFAOYSA-N 1 0 339.417 1.808 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000108450884 441454414 /nfs/dbraw/zinc/45/44/14/441454414.db2.gz TVWJUSOWFZQHSO-GFCCVEGCSA-N 1 0 334.376 1.786 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000053583420 441531529 /nfs/dbraw/zinc/53/15/29/441531529.db2.gz ARDDZXDLAFANMD-NSHDSACASA-N 1 0 342.421 1.386 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066660202 441558749 /nfs/dbraw/zinc/55/87/49/441558749.db2.gz FHWWPPSCPRJRKY-GFCCVEGCSA-N 1 0 347.371 1.676 20 5 EDBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000090015461 441614306 /nfs/dbraw/zinc/61/43/06/441614306.db2.gz JSXSMFUFKMGYJJ-NSHDSACASA-N 1 0 327.406 1.651 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000041890028 441681707 /nfs/dbraw/zinc/68/17/07/441681707.db2.gz GVYUOCHZSWDPSV-LBPRGKRZSA-N 1 0 346.387 1.442 20 5 EDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000121668604 441754601 /nfs/dbraw/zinc/75/46/01/441754601.db2.gz MVGMDLDLWBEJJB-UHFFFAOYSA-N 1 0 327.406 1.451 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CCCN2CC[NH+](C)CC2)c1 ZINC000173651315 441815224 /nfs/dbraw/zinc/81/52/24/441815224.db2.gz RHWUOOZDESOWNV-UHFFFAOYSA-N 1 0 334.420 1.613 20 5 EDBDRO NS(=O)(=O)c1ccc(NCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000116883726 441857995 /nfs/dbraw/zinc/85/79/95/441857995.db2.gz ZZBIFQAUUIPOTQ-UHFFFAOYSA-N 1 0 328.394 1.140 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000068575679 441826749 /nfs/dbraw/zinc/82/67/49/441826749.db2.gz GDHWVHXXQXOYMJ-QWHCGFSZSA-N 1 0 337.424 1.726 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000069119361 441893975 /nfs/dbraw/zinc/89/39/75/441893975.db2.gz QGMHFWUTOVHAHA-LLVKDONJSA-N 1 0 327.356 1.959 20 5 EDBDRO O=C(C[C@H]1C[NH2+]CCO1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160918485 441935417 /nfs/dbraw/zinc/93/54/17/441935417.db2.gz IBCFMSOMZGUXAC-INIZCTEOSA-N 1 0 349.387 1.343 20 5 EDBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000124843091 441957522 /nfs/dbraw/zinc/95/75/22/441957522.db2.gz GDSMIWLZXFOJID-SECBINFHSA-N 1 0 333.797 1.621 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000125109094 441984487 /nfs/dbraw/zinc/98/44/87/441984487.db2.gz XTJJDFKXPCEQSD-BDAKNGLRSA-N 1 0 333.797 1.796 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000161999652 442054137 /nfs/dbraw/zinc/05/41/37/442054137.db2.gz BKZMOKZHCBOXBQ-VXGBXAGGSA-N 1 0 330.348 1.175 20 5 EDBDRO O=C(CC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1)N1CCCC1 ZINC000176210008 442191430 /nfs/dbraw/zinc/19/14/30/442191430.db2.gz KWPNYKIXMALQDZ-UHFFFAOYSA-N 1 0 335.408 1.516 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000127735480 442222658 /nfs/dbraw/zinc/22/26/58/442222658.db2.gz PKGCPDRKONGKSB-CYBMUJFWSA-N 1 0 349.435 1.969 20 5 EDBDRO CC[NH+]1CCN([C@H](C)CNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000153828251 442305613 /nfs/dbraw/zinc/30/56/13/442305613.db2.gz SRYWBVLPGBBUDO-OAHLLOKOSA-N 1 0 348.447 1.670 20 5 EDBDRO O=C1[C@@H](N2CC[N@@H+]3CCCC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000177760075 442380937 /nfs/dbraw/zinc/38/09/37/442380937.db2.gz WGTRCVXMDYQEJQ-SJORKVTESA-N 1 0 344.415 1.870 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178087730 442406995 /nfs/dbraw/zinc/40/69/95/442406995.db2.gz AVOGUYAVAADIJA-CYBMUJFWSA-N 1 0 349.387 1.398 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172414369 442457536 /nfs/dbraw/zinc/45/75/36/442457536.db2.gz QUIMMLHKJUHEAE-UHFFFAOYSA-N 1 0 335.408 1.577 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CCCO)c2ccccc2)c1 ZINC000179760731 442498975 /nfs/dbraw/zinc/49/89/75/442498975.db2.gz IPSVDIKNORQTHC-CVEARBPZSA-N 1 0 334.376 1.256 20 5 EDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000172836178 442551187 /nfs/dbraw/zinc/55/11/87/442551187.db2.gz IMFCDVBEIQLPPQ-ZDUSSCGKSA-N 1 0 336.392 1.089 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000180356228 442586292 /nfs/dbraw/zinc/58/62/92/442586292.db2.gz UZXLDDVMNDEFRJ-UHFFFAOYSA-N 1 0 348.403 1.831 20 5 EDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000157571733 442593547 /nfs/dbraw/zinc/59/35/47/442593547.db2.gz FBOZTJALLJKLOZ-NEPJUHHUSA-N 1 0 330.348 1.033 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CCO)C2CCCCC2)c1 ZINC000181509319 442700863 /nfs/dbraw/zinc/70/08/63/442700863.db2.gz MZYMFLRIHJKNGB-GJZGRUSLSA-N 1 0 326.397 1.073 20 5 EDBDRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000193269096 442727856 /nfs/dbraw/zinc/72/78/56/442727856.db2.gz LBSUHLFFXJCWGM-SNVBAGLBSA-N 1 0 336.373 1.125 20 5 EDBDRO NC(=O)C1([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000182198367 442744443 /nfs/dbraw/zinc/74/44/43/442744443.db2.gz RPPCKOHQAOKEAQ-LBPRGKRZSA-N 1 0 337.376 1.112 20 5 EDBDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000182322761 442757147 /nfs/dbraw/zinc/75/71/47/442757147.db2.gz QNWNCIGIKWWANN-LSDHHAIUSA-N 1 0 342.417 1.916 20 5 EDBDRO C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000182632343 442798210 /nfs/dbraw/zinc/79/82/10/442798210.db2.gz YMKUTDRNCBTRQA-HNNXBMFYSA-N 1 0 348.403 1.792 20 5 EDBDRO NC(=O)c1ccc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000265526442 442809721 /nfs/dbraw/zinc/80/97/21/442809721.db2.gz SUPLRMYMYYODKL-GFCCVEGCSA-N 1 0 348.403 1.607 20 5 EDBDRO Cc1c(CC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000194010388 442827508 /nfs/dbraw/zinc/82/75/08/442827508.db2.gz MMDPHUTYOXELAD-CHWSQXEVSA-N 1 0 335.404 1.359 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268158767 442876142 /nfs/dbraw/zinc/87/61/42/442876142.db2.gz IVDFTSCRIYJCQV-BXUZGUMPSA-N 1 0 346.387 1.441 20 5 EDBDRO Cc1nn(CCC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000268191140 442891590 /nfs/dbraw/zinc/89/15/90/442891590.db2.gz HSCLEPPPVSXKQM-IINYFYTJSA-N 1 0 335.408 1.397 20 5 EDBDRO COC[C@@H](CCO)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000265762260 442911956 /nfs/dbraw/zinc/91/19/56/442911956.db2.gz KHJGJRDYPQJXMY-CQSZACIVSA-N 1 0 334.376 1.482 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000268278861 442928588 /nfs/dbraw/zinc/92/85/88/442928588.db2.gz VDRAJCVMNQGBBR-SMDDNHRTSA-N 1 0 341.433 1.728 20 5 EDBDRO CC(C)[NH+]1CCC(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000194813616 442957381 /nfs/dbraw/zinc/95/73/81/442957381.db2.gz PYKRZMZKCDURDG-UHFFFAOYSA-N 1 0 348.403 1.314 20 5 EDBDRO C[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000194907652 442966834 /nfs/dbraw/zinc/96/68/34/442966834.db2.gz KQNSXSKPTFKFQI-LURJTMIESA-N 1 0 349.128 1.276 20 5 EDBDRO COc1cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1OC ZINC000265930391 442972749 /nfs/dbraw/zinc/97/27/49/442972749.db2.gz FVWRBLBHMWILEU-LBPRGKRZSA-N 1 0 337.376 1.778 20 5 EDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000184295112 443008976 /nfs/dbraw/zinc/00/89/76/443008976.db2.gz UYHUFJJJICWFPH-LBPRGKRZSA-N 1 0 333.392 1.663 20 5 EDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184494915 443028882 /nfs/dbraw/zinc/02/88/82/443028882.db2.gz LMWNVZBWHCBPAH-CYBMUJFWSA-N 1 0 341.433 1.698 20 5 EDBDRO NC(=O)c1cc([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000266216902 443061859 /nfs/dbraw/zinc/06/18/59/443061859.db2.gz RAEUBBGFURQKEF-GFCCVEGCSA-N 1 0 329.360 1.796 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000255440370 443099123 /nfs/dbraw/zinc/09/91/23/443099123.db2.gz KRKXXQKAUKNKFM-AJHXJQRKSA-N 1 0 346.431 1.750 20 5 EDBDRO COc1cc(OCC(=O)N2CCC[C@H](C)[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000237225544 443165558 /nfs/dbraw/zinc/16/55/58/443165558.db2.gz ILTZIMMXEAHTMS-SMDDNHRTSA-N 1 0 337.376 1.568 20 5 EDBDRO CNS(=O)(=O)c1ccc(N2CCC[C@H](C)[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000261733594 443166544 /nfs/dbraw/zinc/16/65/44/443166544.db2.gz NEJOQBIVCABDHX-HZMBPMFUSA-N 1 0 342.421 1.067 20 5 EDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1OCCc2ccccc21 ZINC000266553913 443167171 /nfs/dbraw/zinc/16/71/71/443167171.db2.gz VAXLJIMLVBTCHF-NVXWUHKLSA-N 1 0 346.387 1.398 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000299495399 318908187 /nfs/dbraw/zinc/90/81/87/318908187.db2.gz JNIZQVCVPDDWQB-UHFFFAOYSA-N 1 0 335.408 1.577 20 5 EDBDRO CC[NH2+]CCNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000236991331 443154820 /nfs/dbraw/zinc/15/48/20/443154820.db2.gz KQWRCVWCWIOLAH-UHFFFAOYSA-N 1 0 345.403 1.796 20 5 EDBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](OCCO)C2)c([N+](=O)[O-])c1 ZINC000266526967 443157691 /nfs/dbraw/zinc/15/76/91/443157691.db2.gz KSVQUQLHBAXDRR-AWEZNQCLSA-N 1 0 340.376 1.456 20 5 EDBDRO O=C(NC[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1)[C@@H]1CCC[NH2+]1 ZINC000261636376 443162023 /nfs/dbraw/zinc/16/20/23/443162023.db2.gz HWLKEZAUPUTBJZ-OCCSQVGLSA-N 1 0 333.392 1.074 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000266667470 443202281 /nfs/dbraw/zinc/20/22/81/443202281.db2.gz MCTLNJZHXQRTIG-ZDUSSCGKSA-N 1 0 332.404 1.921 20 5 EDBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000185546430 443216955 /nfs/dbraw/zinc/21/69/55/443216955.db2.gz VORHKIZNKMYBJW-CQSZACIVSA-N 1 0 349.435 1.420 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1C ZINC000382425260 319123547 /nfs/dbraw/zinc/12/35/47/319123547.db2.gz MDYSBIASNWHDAC-NEPJUHHUSA-N 1 0 327.406 1.617 20 5 EDBDRO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000191176627 443253362 /nfs/dbraw/zinc/25/33/62/443253362.db2.gz BKHVDNZWIZDJEA-KYOSRNDESA-N 1 0 335.360 1.030 20 5 EDBDRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185780003 443255802 /nfs/dbraw/zinc/25/58/02/443255802.db2.gz WPJUGJOMZXZDML-CYBMUJFWSA-N 1 0 327.406 1.748 20 5 EDBDRO COc1cc(C[NH2+]C[C@@H]2CCNCC2(F)F)c([N+](=O)[O-])cc1OC ZINC000415011039 319345505 /nfs/dbraw/zinc/34/55/05/319345505.db2.gz VSDYLUMNZQUCJV-NSHDSACASA-N 1 0 345.346 1.946 20 5 EDBDRO CCc1ccc(C(=O)NCCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000266960141 443304365 /nfs/dbraw/zinc/30/43/65/443304365.db2.gz UCYZJLCCNXIYDH-UHFFFAOYSA-N 1 0 335.404 1.734 20 5 EDBDRO CC[NH+]1CCN([C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000267000259 443311175 /nfs/dbraw/zinc/31/11/75/443311175.db2.gz CNBWUSNDVNFZOH-MRXNPFEDSA-N 1 0 336.411 1.946 20 5 EDBDRO CCc1n[nH]c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1[N+](=O)[O-] ZINC000267109242 443344725 /nfs/dbraw/zinc/34/47/25/443344725.db2.gz MYQVETFDGPPBTJ-ZDUSSCGKSA-N 1 0 327.410 1.047 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000264610386 443346765 /nfs/dbraw/zinc/34/67/65/443346765.db2.gz JGPWVLQLWPDSHG-ZDUSSCGKSA-N 1 0 327.406 1.618 20 5 EDBDRO CCCN(C(=O)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000419159838 319564594 /nfs/dbraw/zinc/56/45/94/319564594.db2.gz ZTNQDBPVHGTPRS-STQMWFEESA-N 1 0 348.403 1.373 20 5 EDBDRO C[C@H]([NH2+][C@H]1CCC(=O)NC12CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282750593 443423907 /nfs/dbraw/zinc/42/39/07/443423907.db2.gz KDMUQDVEANNCDZ-FZMZJTMJSA-N 1 0 346.387 1.713 20 5 EDBDRO C[N@H+](CCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000264814251 443436925 /nfs/dbraw/zinc/43/69/25/443436925.db2.gz GRXCJVVAWKWIMX-UHFFFAOYSA-N 1 0 347.419 1.521 20 5 EDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000264909899 443472445 /nfs/dbraw/zinc/47/24/45/443472445.db2.gz NEJJTVOHYZLZDD-GFCCVEGCSA-N 1 0 331.376 1.851 20 5 EDBDRO CS[C@H]1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270967747 443485230 /nfs/dbraw/zinc/48/52/30/443485230.db2.gz BHHWYQCXLHXHTK-UWVGGRQHSA-N 1 0 341.437 1.559 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2CCC3(CC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC000422642307 319724489 /nfs/dbraw/zinc/72/44/89/319724489.db2.gz ZDYKCTKPAQIOHE-LBPRGKRZSA-N 1 0 348.403 1.758 20 5 EDBDRO Cn1cc(C(=O)NCc2ccccc2[N+](=O)[O-])c([C@H]2CCC[NH2+]C2)n1 ZINC000422967318 319742614 /nfs/dbraw/zinc/74/26/14/319742614.db2.gz OXDOZTHESSJWRH-ZDUSSCGKSA-N 1 0 343.387 1.725 20 5 EDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000283090852 443519349 /nfs/dbraw/zinc/51/93/49/443519349.db2.gz FMBFBRGZSHOPSW-JTQLQIEISA-N 1 0 343.405 1.068 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000423585248 319788025 /nfs/dbraw/zinc/78/80/25/319788025.db2.gz ASEAXUTUFICPHS-HZMBPMFUSA-N 1 0 335.360 1.499 20 5 EDBDRO C[C@]1(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000273033081 443524865 /nfs/dbraw/zinc/52/48/65/443524865.db2.gz SNXTXJUIQJQBCI-KRWDZBQOSA-N 1 0 343.387 1.900 20 5 EDBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000423617153 319793304 /nfs/dbraw/zinc/79/33/04/319793304.db2.gz XAXKELRLAVZALL-AWEZNQCLSA-N 1 0 343.387 1.677 20 5 EDBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H]1CC[NH2+]C1 ZINC000273052970 443529204 /nfs/dbraw/zinc/52/92/04/443529204.db2.gz RGEVABORWBOQOH-AWEZNQCLSA-N 1 0 335.407 1.880 20 5 EDBDRO C[C@@H](Cn1cccn1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272941649 443496029 /nfs/dbraw/zinc/49/60/29/443496029.db2.gz NOPZBYGLKDYKLZ-LBPRGKRZSA-N 1 0 338.389 1.243 20 5 EDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(CCC(N)=O)CC1 ZINC000271236736 443497221 /nfs/dbraw/zinc/49/72/21/443497221.db2.gz NGDHAAZENRLTPR-LBPRGKRZSA-N 1 0 348.403 1.899 20 5 EDBDRO C[C@@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000273463763 443575813 /nfs/dbraw/zinc/57/58/13/443575813.db2.gz IXRRHUVTKLCXIH-NSHDSACASA-N 1 0 342.421 1.386 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CCC[C@@H]2C[NH2+]C)c([N+](=O)[O-])c1 ZINC000430549441 319932638 /nfs/dbraw/zinc/93/26/38/319932638.db2.gz XQERWWAKTLLNGR-GFCCVEGCSA-N 1 0 336.392 1.616 20 5 EDBDRO COc1cc(CCNC(=O)[C@@H](C[NH3+])C(C)C)c([N+](=O)[O-])cc1OC ZINC000433164873 319973130 /nfs/dbraw/zinc/97/31/30/319973130.db2.gz ASBVXNFVTNPPAM-LBPRGKRZSA-N 1 0 339.392 1.502 20 5 EDBDRO O=c1[nH]c(NC[C@H](O)C[NH+]2CCCCC2)nc2ccc([N+](=O)[O-])cc12 ZINC000283536909 443656668 /nfs/dbraw/zinc/65/66/68/443656668.db2.gz LLTBVAFGQBMQSF-LBPRGKRZSA-N 1 0 347.375 1.502 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000276177782 443662620 /nfs/dbraw/zinc/66/26/20/443662620.db2.gz SXEUKPFGXCKZSG-GFCCVEGCSA-N 1 0 346.387 1.608 20 5 EDBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000440587698 320074770 /nfs/dbraw/zinc/07/47/70/320074770.db2.gz IZAKRZHMYICATN-LBPRGKRZSA-N 1 0 328.319 1.625 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000440753573 320079206 /nfs/dbraw/zinc/07/92/06/320079206.db2.gz ZTDWBBVKYRKOCP-CYBMUJFWSA-N 1 0 339.417 1.727 20 5 EDBDRO CO[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000440851593 320083909 /nfs/dbraw/zinc/08/39/09/320083909.db2.gz VWBYGYLHHMUCIS-RYUDHWBXSA-N 1 0 343.405 1.030 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c1C ZINC000447251824 320140242 /nfs/dbraw/zinc/14/02/42/320140242.db2.gz ZBLBWEPMCYBJCE-JQWIXIFHSA-N 1 0 327.406 1.569 20 5 EDBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449745423 320204073 /nfs/dbraw/zinc/20/40/73/320204073.db2.gz BXDHFMQXHSSHOT-ABAIWWIYSA-N 1 0 327.344 1.214 20 5 EDBDRO CC1(C)CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000454067367 320281477 /nfs/dbraw/zinc/28/14/77/320281477.db2.gz JOIZNQIEJWLTAP-UHFFFAOYSA-N 1 0 334.376 1.524 20 5 EDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCC[C@H]2n2cc(CO)nn2)cc1 ZINC000276390018 443696017 /nfs/dbraw/zinc/69/60/17/443696017.db2.gz IFGNMWOQMZGUSH-DLBZAZTESA-N 1 0 345.403 1.995 20 5 EDBDRO NC(=O)c1ccnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000290926618 443712568 /nfs/dbraw/zinc/71/25/68/443712568.db2.gz JARTZQSZNMXLCM-SMDDNHRTSA-N 1 0 345.403 1.542 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@H]1C ZINC000281105343 443820280 /nfs/dbraw/zinc/82/02/80/443820280.db2.gz FSVOLEDMFGYXTO-MNOVXSKESA-N 1 0 347.375 1.135 20 5 EDBDRO O=C(C[N@H+]1CC[C@@H](O)C12CCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000292747207 443833081 /nfs/dbraw/zinc/83/30/81/443833081.db2.gz NOOSPLGEOQRQLT-MRXNPFEDSA-N 1 0 345.399 1.863 20 5 EDBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285179284 443885863 /nfs/dbraw/zinc/88/58/63/443885863.db2.gz NVMVRXPYWLGZAO-UHFFFAOYSA-N 1 0 329.360 1.496 20 5 EDBDRO CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCCS(=O)(=O)C1 ZINC000285273013 443921335 /nfs/dbraw/zinc/92/13/35/443921335.db2.gz ITKSXIPJPYAETA-ZDUSSCGKSA-N 1 0 326.418 1.894 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000548369172 320877665 /nfs/dbraw/zinc/87/76/65/320877665.db2.gz AKGCRXFCYBEEMO-LLVKDONJSA-N 1 0 327.406 1.666 20 5 EDBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000299398108 444037523 /nfs/dbraw/zinc/03/75/23/444037523.db2.gz JQDPVOIQKHOGSD-OAHLLOKOSA-N 1 0 328.372 1.856 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000299415680 444040823 /nfs/dbraw/zinc/04/08/23/444040823.db2.gz WKVLWYUEUORQJZ-JSGCOSHPSA-N 1 0 348.403 1.831 20 5 EDBDRO CCOc1cc(CN2CC[N@H+](C[C@@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000281941895 444045072 /nfs/dbraw/zinc/04/50/72/444045072.db2.gz FAXHOKQFVPURGS-ZIAGYGMSSA-N 1 0 337.420 1.880 20 5 EDBDRO CN(CCC[NH+]1CCCC1)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000281954983 444047909 /nfs/dbraw/zinc/04/79/09/444047909.db2.gz SLPUTKPUBYWYIR-UHFFFAOYSA-N 1 0 342.421 1.164 20 5 EDBDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000293643325 444077853 /nfs/dbraw/zinc/07/78/53/444077853.db2.gz JYHQMUCALMSYHS-CZUORRHYSA-N 1 0 335.404 1.441 20 5 EDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c1 ZINC000563121938 321097777 /nfs/dbraw/zinc/09/77/77/321097777.db2.gz IVFHXDXPVRQIGR-AWEZNQCLSA-N 1 0 348.380 1.919 20 5 EDBDRO CC(C)([NH3+])c1nocc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000564471289 321134221 /nfs/dbraw/zinc/13/42/21/321134221.db2.gz RRZRLXLHCZJKPA-UHFFFAOYSA-N 1 0 333.348 1.619 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1cccc(O)c1 ZINC000566114555 321216985 /nfs/dbraw/zinc/21/69/85/321216985.db2.gz JEFSBFGYYOMYAS-HNNXBMFYSA-N 1 0 332.356 1.872 20 5 EDBDRO COc1cccc(C(C)(C)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000566114549 321217046 /nfs/dbraw/zinc/21/70/46/321217046.db2.gz JDRZJZGLFCGNHO-HNNXBMFYSA-N 1 0 348.403 1.728 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1C ZINC000568475340 321292724 /nfs/dbraw/zinc/29/27/24/321292724.db2.gz PEJCCAOILDIUDF-OCCSQVGLSA-N 1 0 339.417 1.536 20 5 EDBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C2)C1 ZINC000294090320 444101570 /nfs/dbraw/zinc/10/15/70/444101570.db2.gz KDBOZUCBWCEFRV-INIZCTEOSA-N 1 0 336.367 1.874 20 5 EDBDRO CC[C@H](C)[C@H](O)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570515417 321344161 /nfs/dbraw/zinc/34/41/61/321344161.db2.gz HGLWWXVANJRHAW-SMDDNHRTSA-N 1 0 330.406 1.365 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(OCC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000573323069 321448632 /nfs/dbraw/zinc/44/86/32/321448632.db2.gz UPZUUEGLINZDOQ-UHFFFAOYSA-N 1 0 349.387 1.725 20 5 EDBDRO Cc1c(CC(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000285989918 444170200 /nfs/dbraw/zinc/17/02/00/444170200.db2.gz YIFIHLKXJBZYAB-HOTGVXAUSA-N 1 0 333.388 1.377 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000302139590 444205778 /nfs/dbraw/zinc/20/57/78/444205778.db2.gz OGOWVYSMMGLIQO-JTQLQIEISA-N 1 0 328.394 1.137 20 5 EDBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000289591899 444177935 /nfs/dbraw/zinc/17/79/35/444177935.db2.gz GSVOQUCKTDZKLB-LBPRGKRZSA-N 1 0 325.413 1.726 20 5 EDBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301593056 444181587 /nfs/dbraw/zinc/18/15/87/444181587.db2.gz RDSHEKSRJFJVKG-OLZOCXBDSA-N 1 0 343.387 1.666 20 5 EDBDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000289773828 444201641 /nfs/dbraw/zinc/20/16/41/444201641.db2.gz ZYQPAEQXZHSIBP-CYBMUJFWSA-N 1 0 343.449 1.785 20 5 EDBDRO CN(C)c1ncccc1O[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000296068356 444202432 /nfs/dbraw/zinc/20/24/32/444202432.db2.gz VDHSPZBOIHODGC-CQSZACIVSA-N 1 0 346.391 1.406 20 5 EDBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000289795576 444204663 /nfs/dbraw/zinc/20/46/63/444204663.db2.gz PRBVICZOBOHJPR-UHFFFAOYSA-N 1 0 337.424 1.942 20 5 EDBDRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)NC(=O)NC1=O ZINC000289985362 444227202 /nfs/dbraw/zinc/22/72/02/444227202.db2.gz ZYBBTGRRRNZLEK-BBRMVZONSA-N 1 0 332.360 1.547 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H](C)[C@H]([NH3+])[C@@H]1C ZINC000297426191 444286117 /nfs/dbraw/zinc/28/61/17/444286117.db2.gz SKEJWWDIVDJSFP-ASHKBJFXSA-N 1 0 348.403 1.297 20 5 EDBDRO [NH3+]C[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CCCO1 ZINC000313363890 444296310 /nfs/dbraw/zinc/29/63/10/444296310.db2.gz ULVGIIPZYXQUAE-QMMMGPOBSA-N 1 0 331.170 1.306 20 5 EDBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290623090 444302784 /nfs/dbraw/zinc/30/27/84/444302784.db2.gz LQUUDTWBAUJMCM-GRYCIOLGSA-N 1 0 335.408 1.867 20 5 EDBDRO COCC1(CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000326331638 444373972 /nfs/dbraw/zinc/37/39/72/444373972.db2.gz RTDNDNIXGGDFHV-WAYWQWQTSA-N 1 0 333.388 1.740 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@](C)(C(N)=O)C(C)C ZINC000297752504 444329137 /nfs/dbraw/zinc/32/91/37/444329137.db2.gz ULHGPGYESGZFPI-HNNXBMFYSA-N 1 0 338.364 1.032 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000579142589 321891793 /nfs/dbraw/zinc/89/17/93/321891793.db2.gz FNRPDOVLDLCZDR-CYBMUJFWSA-N 1 0 341.433 1.832 20 5 EDBDRO Cc1ccc(SCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000579430762 321932094 /nfs/dbraw/zinc/93/20/94/321932094.db2.gz HDUWANCLUZOHSW-CQSZACIVSA-N 1 0 336.417 1.843 20 5 EDBDRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000331195538 444439645 /nfs/dbraw/zinc/43/96/45/444439645.db2.gz SBDHNPOCQLEFCJ-STQMWFEESA-N 1 0 327.406 1.545 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@@H]1C1(O)CC1 ZINC000581296111 322159807 /nfs/dbraw/zinc/15/98/07/322159807.db2.gz GBAQDBRFXSUZBR-OAHLLOKOSA-N 1 0 349.387 1.921 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000343776730 444583919 /nfs/dbraw/zinc/58/39/19/444583919.db2.gz GFMWFIYZCGJWCX-BBRMVZONSA-N 1 0 332.404 1.470 20 5 EDBDRO CCc1nn(C)c(NCc2ccncc2OCC[NH+](C)C)c1[N+](=O)[O-] ZINC000341053029 444653860 /nfs/dbraw/zinc/65/38/60/444653860.db2.gz PSVURIADGVXSOA-UHFFFAOYSA-N 1 0 348.407 1.838 20 5 EDBDRO CCN1CCC([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000342361270 444654865 /nfs/dbraw/zinc/65/48/65/444654865.db2.gz SLOFWKRIENOWPJ-OAHLLOKOSA-N 1 0 337.420 1.751 20 5 EDBDRO NC(=O)c1cccc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000342412710 444680862 /nfs/dbraw/zinc/68/08/62/444680862.db2.gz JVBXFEAOFAEKFQ-LBPRGKRZSA-N 1 0 348.403 1.607 20 5 EDBDRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000343950781 444689388 /nfs/dbraw/zinc/68/93/88/444689388.db2.gz HZCNEZKGKXTFMA-DZGCQCFKSA-N 1 0 344.371 1.807 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344027398 444737305 /nfs/dbraw/zinc/73/73/05/444737305.db2.gz LGOPOAHUOJQJBO-BJJXKVORSA-N 1 0 333.388 1.935 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000344543358 445047423 /nfs/dbraw/zinc/04/74/23/445047423.db2.gz VXWDFMMPFIXJJZ-STQMWFEESA-N 1 0 337.376 1.395 20 5 EDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337546199 445130366 /nfs/dbraw/zinc/13/03/66/445130366.db2.gz MMNKBHJIQADZBW-KBPBESRZSA-N 1 0 347.419 1.933 20 5 EDBDRO C[NH+](C)CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000330731209 445116026 /nfs/dbraw/zinc/11/60/26/445116026.db2.gz QGUCUEQQPPMRQR-UHFFFAOYSA-N 1 0 327.406 1.839 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346174326 445207265 /nfs/dbraw/zinc/20/72/65/445207265.db2.gz YDVPZCLERFKSHE-NQBHXWOUSA-N 1 0 335.408 1.439 20 5 EDBDRO C[C@H]1[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343483373 445231592 /nfs/dbraw/zinc/23/15/92/445231592.db2.gz DRFZTRLVBUGIHE-GXTWGEPZSA-N 1 0 343.387 1.993 20 5 EDBDRO C[C@H]1[C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343533284 445239670 /nfs/dbraw/zinc/23/96/70/445239670.db2.gz WPPJUAVMSVRUSZ-WCQYABFASA-N 1 0 344.375 1.388 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000351872419 445349120 /nfs/dbraw/zinc/34/91/20/445349120.db2.gz AUSFVGGTBMDHLR-NSHDSACASA-N 1 0 341.433 1.973 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[N@H+](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000356973090 445354974 /nfs/dbraw/zinc/35/49/74/445354974.db2.gz HYZMLIMHOFEIEP-NEPJUHHUSA-N 1 0 336.392 1.566 20 5 EDBDRO COC1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000359668735 445366035 /nfs/dbraw/zinc/36/60/35/445366035.db2.gz CRFSPFZJYFDXQJ-UHFFFAOYSA-N 1 0 342.417 1.917 20 5 EDBDRO O=C1[C@H](N2CC[C@@H]3C[NH2+]C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000357070323 445406247 /nfs/dbraw/zinc/40/62/47/445406247.db2.gz ATINOBDPSOFFNZ-DVOMOZLQSA-N 1 0 330.388 1.241 20 5 EDBDRO COc1cc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000351998587 445427448 /nfs/dbraw/zinc/42/74/48/445427448.db2.gz WLDZKYCVOSKMDH-DZGCQCFKSA-N 1 0 335.404 1.898 20 5 EDBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000352125638 445509359 /nfs/dbraw/zinc/50/93/59/445509359.db2.gz KAIDGHSGYSPCQS-AWEZNQCLSA-N 1 0 329.784 1.681 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000360002256 445521843 /nfs/dbraw/zinc/52/18/43/445521843.db2.gz AUJYYLNDIPHWOL-ZDUSSCGKSA-N 1 0 327.406 1.569 20 5 EDBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000357249276 445506673 /nfs/dbraw/zinc/50/66/73/445506673.db2.gz RNJRMTJFILYFCL-CYBMUJFWSA-N 1 0 341.371 1.747 20 5 EDBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000362818856 445564118 /nfs/dbraw/zinc/56/41/18/445564118.db2.gz WNIBAQAVGOODDD-YRGRVCCFSA-N 1 0 333.392 1.200 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCCC[NH+]2CCOCC2)c1 ZINC000360157652 445600190 /nfs/dbraw/zinc/60/01/90/445600190.db2.gz OLFHGVLFHWEZDD-UHFFFAOYSA-N 1 0 337.376 1.906 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c1C ZINC000353492963 445628075 /nfs/dbraw/zinc/62/80/75/445628075.db2.gz MSMYZKCPADMQRK-GHMZBOCLSA-N 1 0 327.406 1.583 20 5 EDBDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cn1 ZINC000363134500 445690577 /nfs/dbraw/zinc/69/05/77/445690577.db2.gz HXRJRNJVNYYJBW-LBPRGKRZSA-N 1 0 343.387 1.492 20 5 EDBDRO COc1cc(OCC(=O)N(CC[NH+](C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000356269777 445709627 /nfs/dbraw/zinc/70/96/27/445709627.db2.gz AULJBDJIACFKOM-UHFFFAOYSA-N 1 0 337.376 1.535 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000353756110 445740735 /nfs/dbraw/zinc/74/07/35/445740735.db2.gz FLCCTQIMXRGNCE-ZDUSSCGKSA-N 1 0 349.387 1.473 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]CCn2cccn2)cc1[N+](=O)[O-] ZINC000353766699 445745434 /nfs/dbraw/zinc/74/54/34/445745434.db2.gz KVJMPOFDHONMQW-UHFFFAOYSA-N 1 0 334.332 1.133 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000353779730 445751558 /nfs/dbraw/zinc/75/15/58/445751558.db2.gz PAJACIPSFOVJQH-JSGCOSHPSA-N 1 0 338.360 1.397 20 5 EDBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356469636 445808396 /nfs/dbraw/zinc/80/83/96/445808396.db2.gz UZNXDBBYKSEBFZ-TZMCWYRMSA-N 1 0 343.387 1.894 20 5 EDBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000363663920 445866335 /nfs/dbraw/zinc/86/63/35/445866335.db2.gz VKBBADWLDBXWJU-INIZCTEOSA-N 1 0 346.431 1.376 20 5 EDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000350779636 445903707 /nfs/dbraw/zinc/90/37/07/445903707.db2.gz AHDHYCDFJUXNRK-DXTPNHAXSA-N 1 0 326.374 1.011 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000369067972 445907685 /nfs/dbraw/zinc/90/76/85/445907685.db2.gz WPHHOJRQENBGJK-SNVBAGLBSA-N 1 0 347.824 1.977 20 5 EDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000372924083 445923715 /nfs/dbraw/zinc/92/37/15/445923715.db2.gz ACEYVHXBDXVMMW-QOCAVEGASA-N 1 0 345.399 1.666 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000359108798 445952891 /nfs/dbraw/zinc/95/28/91/445952891.db2.gz MRUPUVICCQMWKX-ZDUSSCGKSA-N 1 0 335.408 1.606 20 5 EDBDRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000373114226 446036320 /nfs/dbraw/zinc/03/63/20/446036320.db2.gz ZHSLLKUMHAEZAZ-LBPRGKRZSA-N 1 0 347.379 1.352 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2cc(F)ccc2F)c1 ZINC000584167674 326212293 /nfs/dbraw/zinc/21/22/93/326212293.db2.gz CWYRQZLTMACKNB-ZDUSSCGKSA-N 1 0 326.303 1.263 20 5 EDBDRO CN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000584280937 326233882 /nfs/dbraw/zinc/23/38/82/326233882.db2.gz NUGPDYBKCXAPTG-NNQSOWQGSA-N 1 0 348.403 1.898 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000361941229 446090738 /nfs/dbraw/zinc/09/07/38/446090738.db2.gz ROONSPFQIXAPFC-HOTGVXAUSA-N 1 0 335.404 1.634 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000369352089 446094077 /nfs/dbraw/zinc/09/40/77/446094077.db2.gz BZCVEAKDLYWFCO-CYBMUJFWSA-N 1 0 339.417 1.762 20 5 EDBDRO NC(=O)c1cccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000373228351 446106016 /nfs/dbraw/zinc/10/60/16/446106016.db2.gz HWKGRAYAWOBFTG-UHFFFAOYSA-N 1 0 329.360 1.727 20 5 EDBDRO CCO[C@H]1COCC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000362024277 446160929 /nfs/dbraw/zinc/16/09/29/446160929.db2.gz JJFTZCMWIXKHQZ-CABCVRRESA-N 1 0 337.376 1.341 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000366358465 446172886 /nfs/dbraw/zinc/17/28/86/446172886.db2.gz RUWSHYUIBJUQOI-YPMHNXCESA-N 1 0 325.390 1.276 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2nn[nH]c2C1 ZINC000351593702 446189190 /nfs/dbraw/zinc/18/91/90/446189190.db2.gz FFJWRPTWPVQJMZ-UHFFFAOYSA-N 1 0 330.348 1.408 20 5 EDBDRO O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12)N1CC[NH2+]CC1 ZINC000370368469 446249720 /nfs/dbraw/zinc/24/97/20/446249720.db2.gz UJEPJJVSAFFCKZ-NVXWUHKLSA-N 1 0 344.415 1.558 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000365636256 446282435 /nfs/dbraw/zinc/28/24/35/446282435.db2.gz RJHMYOKTBUVKAC-NWDGAFQWSA-N 1 0 343.387 1.962 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000370453079 446285240 /nfs/dbraw/zinc/28/52/40/446285240.db2.gz PTUAFYNNVHQLTF-QWHCGFSZSA-N 1 0 335.360 1.196 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC(CC[NH+]2CCOCC2)CC1 ZINC000376229151 446391114 /nfs/dbraw/zinc/39/11/14/446391114.db2.gz WVILCJQUSJKCMO-UHFFFAOYSA-N 1 0 337.424 1.263 20 5 EDBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1CC[NH2+]C1 ZINC000418085583 446436615 /nfs/dbraw/zinc/43/66/15/446436615.db2.gz ASXHGYIREGESOZ-SNVBAGLBSA-N 1 0 332.282 1.775 20 5 EDBDRO COc1ccc(NC(=O)CC[NH2+][C@](C)(CN)C2CC2)c([N+](=O)[O-])c1 ZINC000420287667 446453323 /nfs/dbraw/zinc/45/33/23/446453323.db2.gz IILPCKUGHHHIBV-MRXNPFEDSA-N 1 0 336.392 1.649 20 5 EDBDRO O=C(CC[N@@H+]1CCC[C@@H]1C(=O)NC1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411273217 446459212 /nfs/dbraw/zinc/45/92/12/446459212.db2.gz UWHACZFJASILKT-OAHLLOKOSA-N 1 0 346.387 1.666 20 5 EDBDRO O=C(NC[C@H]1CCC[NH2+]C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418314289 446495756 /nfs/dbraw/zinc/49/57/56/446495756.db2.gz JGIPWIHDALLRQF-LBPRGKRZSA-N 1 0 334.376 1.367 20 5 EDBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](CN)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000420352444 446532269 /nfs/dbraw/zinc/53/22/69/446532269.db2.gz AHFDDJNIIREMCJ-AWEZNQCLSA-N 1 0 338.408 1.895 20 5 EDBDRO CCOC(=O)c1ccnc(N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000375049781 446544901 /nfs/dbraw/zinc/54/49/01/446544901.db2.gz OVDSNZLWSPBKDR-AAEUAGOBSA-N 1 0 334.376 1.697 20 5 EDBDRO CC(C)C[C@H](C[NH3+])NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418448316 446545184 /nfs/dbraw/zinc/54/51/84/446545184.db2.gz RPSUBHJDKXHART-GFCCVEGCSA-N 1 0 336.392 1.741 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000420437439 446612568 /nfs/dbraw/zinc/61/25/68/446612568.db2.gz CMGCYJXTHLTZEM-NSHDSACASA-N 1 0 335.332 1.179 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000423739508 446669524 /nfs/dbraw/zinc/66/95/24/446669524.db2.gz IHIMPHGSAZTOIA-OLZOCXBDSA-N 1 0 348.403 1.289 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000423739507 446670059 /nfs/dbraw/zinc/67/00/59/446670059.db2.gz IHIMPHGSAZTOIA-CHWSQXEVSA-N 1 0 348.403 1.289 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000420455001 446632450 /nfs/dbraw/zinc/63/24/50/446632450.db2.gz LVXRYTNCNSCHEB-CHWSQXEVSA-N 1 0 327.406 1.184 20 5 EDBDRO C[NH+]1CC2(C1)CCN(C(=O)Cc1c[nH]c3ccc([N+](=O)[O-])cc13)C2 ZINC000619251892 450434575 /nfs/dbraw/zinc/43/45/75/450434575.db2.gz VHUPAWAVZFTXEZ-UHFFFAOYSA-N 1 0 328.372 1.783 20 5 EDBDRO CCCN(C(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000418781446 446698659 /nfs/dbraw/zinc/69/86/59/446698659.db2.gz MFWIVZDHVYRXDA-IUODEOHRSA-N 1 0 348.403 1.373 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411940853 446751222 /nfs/dbraw/zinc/75/12/22/446751222.db2.gz KTGGWHPMYSSUHN-ZDUSSCGKSA-N 1 0 348.403 1.642 20 5 EDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000424037605 446828851 /nfs/dbraw/zinc/82/88/51/446828851.db2.gz KALUEZHKQGNDIT-CABCVRRESA-N 1 0 349.362 1.575 20 5 EDBDRO CC(C)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000412080892 446839274 /nfs/dbraw/zinc/83/92/74/446839274.db2.gz OCODDOCBTDQHTO-ZDUSSCGKSA-N 1 0 348.403 1.912 20 5 EDBDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000419148270 446962911 /nfs/dbraw/zinc/96/29/11/446962911.db2.gz KEJRNEJYHKFYKO-RYUDHWBXSA-N 1 0 336.392 1.406 20 5 EDBDRO CC[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000419170505 446986215 /nfs/dbraw/zinc/98/62/15/446986215.db2.gz SMQZFSYQASNGLD-GXTWGEPZSA-N 1 0 334.376 1.112 20 5 EDBDRO COc1ccc(NC(=O)CN(C)C[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000421016638 446988616 /nfs/dbraw/zinc/98/86/16/446988616.db2.gz YNQZRLOVFTYAHN-GFCCVEGCSA-N 1 0 336.392 1.568 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368639111 446999539 /nfs/dbraw/zinc/99/95/39/446999539.db2.gz SBXOHEMXHIRWQF-MWLCHTKSSA-N 1 0 345.808 1.621 20 5 EDBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000455330093 447109614 /nfs/dbraw/zinc/10/96/14/447109614.db2.gz JVNAQARNYLZDHL-CYBMUJFWSA-N 1 0 340.355 1.702 20 5 EDBDRO COc1cc(CN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000419344025 447111037 /nfs/dbraw/zinc/11/10/37/447111037.db2.gz RMRYWDPDMYLEDR-RYUDHWBXSA-N 1 0 341.383 1.629 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000368793726 447111219 /nfs/dbraw/zinc/11/12/19/447111219.db2.gz ZIBNYDWNAVOYGV-CQSZACIVSA-N 1 0 335.360 1.389 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)C(C)C ZINC000444163218 447083953 /nfs/dbraw/zinc/08/39/53/447083953.db2.gz CPDLEXHOZMMVOG-UHFFFAOYSA-N 1 0 329.422 1.912 20 5 EDBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000368855354 447161985 /nfs/dbraw/zinc/16/19/85/447161985.db2.gz JWSDTMYVWLLUJZ-CQSZACIVSA-N 1 0 339.417 1.595 20 5 EDBDRO CC(C)(O)C[N@@H+]1CCCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000372548627 447129505 /nfs/dbraw/zinc/12/95/05/447129505.db2.gz UHPMNSLRTYQQOX-UHFFFAOYSA-N 1 0 337.420 1.752 20 5 EDBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000368818536 447131977 /nfs/dbraw/zinc/13/19/77/447131977.db2.gz QEIQRXZYJOVTDE-UBSAEIQESA-N 1 0 341.371 1.875 20 5 EDBDRO O=C1NCCN1[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372728781 447251513 /nfs/dbraw/zinc/25/15/13/447251513.db2.gz RVVVIFRHHSSFCO-CABCVRRESA-N 1 0 334.376 1.118 20 5 EDBDRO C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N(C)Cc1ccccc1 ZINC000390633266 447497031 /nfs/dbraw/zinc/49/70/31/447497031.db2.gz AYCHVQDYEHIZAA-WMLDXEAASA-N 1 0 347.419 1.262 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000416558435 447648156 /nfs/dbraw/zinc/64/81/56/447648156.db2.gz OYBUYSHTRPOMIQ-ZDUSSCGKSA-N 1 0 341.433 1.913 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000416512012 447631954 /nfs/dbraw/zinc/63/19/54/447631954.db2.gz ZZWHIMJIQDIKBH-UHFFFAOYSA-N 1 0 329.422 1.830 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000427683009 447633100 /nfs/dbraw/zinc/63/31/00/447633100.db2.gz QBHIDXBFEYBSSR-KGLIPLIRSA-N 1 0 343.387 1.639 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000420205259 447668973 /nfs/dbraw/zinc/66/89/73/447668973.db2.gz IQXSOQHLVHWTJC-ZDUSSCGKSA-N 1 0 343.387 1.748 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CCC3(CC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC000422639247 447683894 /nfs/dbraw/zinc/68/38/94/447683894.db2.gz SLTUXOOTLXMJAY-UHFFFAOYSA-N 1 0 348.403 1.760 20 5 EDBDRO CN1C[C@@H](C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)OC1=O ZINC000496097499 447710993 /nfs/dbraw/zinc/71/09/93/447710993.db2.gz FOOYRFWCCUHYBC-HNNXBMFYSA-N 1 0 335.360 1.889 20 5 EDBDRO CCCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000422799847 447753326 /nfs/dbraw/zinc/75/33/26/447753326.db2.gz AAUIGOJSQRDEPT-CYBMUJFWSA-N 1 0 335.360 1.596 20 5 EDBDRO [NH3+][C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000479771944 447824543 /nfs/dbraw/zinc/82/45/43/447824543.db2.gz NVMIXWAWLZGVQQ-LJGSYFOKSA-N 1 0 339.295 1.382 20 5 EDBDRO C[C@@H]1CC[N@H+](CCNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000524720472 447942904 /nfs/dbraw/zinc/94/29/04/447942904.db2.gz SEQIBCDMLUENLJ-GFCCVEGCSA-N 1 0 349.387 1.367 20 5 EDBDRO CNc1nccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000569986711 447931031 /nfs/dbraw/zinc/93/10/31/447931031.db2.gz FOOOFGWWNIYINE-RYUDHWBXSA-N 1 0 333.392 1.730 20 5 EDBDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[N@@H+]1C ZINC000525189922 447975702 /nfs/dbraw/zinc/97/57/02/447975702.db2.gz KLEBEJHBVVMONU-MNOVXSKESA-N 1 0 328.394 1.093 20 5 EDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000525805591 448027836 /nfs/dbraw/zinc/02/78/36/448027836.db2.gz SXVOLLRXSMMFSH-GFCCVEGCSA-N 1 0 344.375 1.247 20 5 EDBDRO COCC[N@@H+]1CCCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000576535097 448078766 /nfs/dbraw/zinc/07/87/66/448078766.db2.gz MQWKCKJTJDEMED-CQSZACIVSA-N 1 0 335.404 1.879 20 5 EDBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H]1CC12CC[NH2+]CC2 ZINC000571043911 448097425 /nfs/dbraw/zinc/09/74/25/448097425.db2.gz NTXRDRXIIVBVJM-ZDUSSCGKSA-N 1 0 341.371 2.313 20 5 EDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])C1 ZINC000514613242 448173921 /nfs/dbraw/zinc/17/39/21/448173921.db2.gz DBFLPAQGCZYSSL-GFCCVEGCSA-N 1 0 335.408 1.835 20 5 EDBDRO CC[C@H]1CN(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000591304439 448316107 /nfs/dbraw/zinc/31/61/07/448316107.db2.gz ZJFLPQJZZXUSTI-STQMWFEESA-N 1 0 348.403 1.736 20 5 EDBDRO CS(=O)(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000577648810 448351495 /nfs/dbraw/zinc/35/14/95/448351495.db2.gz KLGFAIUFJJWZFX-RISCZKNCSA-N 1 0 339.417 1.596 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000591450064 448368493 /nfs/dbraw/zinc/36/84/93/448368493.db2.gz XJZDQKMKDQQETF-UWVGGRQHSA-N 1 0 329.378 1.009 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000591672937 448441616 /nfs/dbraw/zinc/44/16/16/448441616.db2.gz XLHUPCXAVLVIRB-NSHDSACASA-N 1 0 329.303 1.464 20 5 EDBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000591685974 448451132 /nfs/dbraw/zinc/45/11/32/448451132.db2.gz GBGLRAFXJJGIGJ-CYBMUJFWSA-N 1 0 333.344 1.238 20 5 EDBDRO CC(C)(C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000591749797 448479870 /nfs/dbraw/zinc/47/98/70/448479870.db2.gz QVPWZAWJTOVCSR-UHFFFAOYSA-N 1 0 343.405 1.336 20 5 EDBDRO C[C@@H]1CN(C[C@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000591744679 448479949 /nfs/dbraw/zinc/47/99/49/448479949.db2.gz WUMBVBPRROOEDF-IIAWOOMASA-N 1 0 337.420 1.197 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000591763550 448484713 /nfs/dbraw/zinc/48/47/13/448484713.db2.gz BSHWMBFQSBDWRZ-JKSUJKDBSA-N 1 0 349.431 1.941 20 5 EDBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCOCC[NH+](C)C ZINC000566541972 448501677 /nfs/dbraw/zinc/50/16/77/448501677.db2.gz ZNUNAPBSTRDCHS-UHFFFAOYSA-N 1 0 329.784 1.865 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCN(S(C)(=O)=O)C1 ZINC000516974401 448514234 /nfs/dbraw/zinc/51/42/34/448514234.db2.gz CMDBTGDBTVNGDB-LBPRGKRZSA-N 1 0 343.405 1.117 20 5 EDBDRO CNc1nccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000578377061 448531250 /nfs/dbraw/zinc/53/12/50/448531250.db2.gz FHSSAOFVSGJYPY-ZDUSSCGKSA-N 1 0 349.435 2.272 20 5 EDBDRO C[C@H](CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[C@@H]1CCC[NH2+]C1 ZINC000517148125 448543725 /nfs/dbraw/zinc/54/37/25/448543725.db2.gz CQBFDSLLNCEPAL-CHWSQXEVSA-N 1 0 332.404 1.900 20 5 EDBDRO COc1cc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])ccn1 ZINC000584715229 448604822 /nfs/dbraw/zinc/60/48/22/448604822.db2.gz MQKVIGXFOCUJFN-CYBMUJFWSA-N 1 0 333.344 1.528 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000592053936 448650672 /nfs/dbraw/zinc/65/06/72/448650672.db2.gz LQCHXURAAKXRMI-SWLSCSKDSA-N 1 0 339.417 1.482 20 5 EDBDRO COc1cc(C(=O)N2CCC(CC[NH3+])CC2)cc([N+](=O)[O-])c1OC ZINC000518391267 448672469 /nfs/dbraw/zinc/67/24/69/448672469.db2.gz TYOLLHBHQAPTTF-UHFFFAOYSA-N 1 0 337.376 1.813 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CCn1cncn1)[C@H]1CC[C@H](O)CC1 ZINC000592130988 448700431 /nfs/dbraw/zinc/70/04/31/448700431.db2.gz OAPYVTUHDNSZEG-WKILWMFISA-N 1 0 345.403 1.992 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccccc2-n2ccnc2)c1 ZINC000579103336 448714728 /nfs/dbraw/zinc/71/47/28/448714728.db2.gz IWSCRHWSIUVOBP-OAHLLOKOSA-N 1 0 342.359 1.128 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1C ZINC000592379859 448812479 /nfs/dbraw/zinc/81/24/79/448812479.db2.gz PYNJUCODNLLZKP-CYBMUJFWSA-N 1 0 341.433 1.830 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCN(c3ccccc3F)C2)c1 ZINC000579344746 448771209 /nfs/dbraw/zinc/77/12/09/448771209.db2.gz JKAVESHYUSQKNL-GXTWGEPZSA-N 1 0 349.366 1.160 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000592381579 448813647 /nfs/dbraw/zinc/81/36/47/448813647.db2.gz XIOYFLYIRIMUSA-TZMCWYRMSA-N 1 0 339.417 1.530 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCO1 ZINC000592310824 448787413 /nfs/dbraw/zinc/78/74/13/448787413.db2.gz YTESCKLIQSUFHZ-MEBBXXQBSA-N 1 0 334.376 1.357 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592382460 448815700 /nfs/dbraw/zinc/81/57/00/448815700.db2.gz OFWGXMUFWNJQJV-TZMCWYRMSA-N 1 0 341.433 1.526 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000592475941 448852650 /nfs/dbraw/zinc/85/26/50/448852650.db2.gz WNOIDGHLROCSDP-RNCFNFMXSA-N 1 0 342.783 1.235 20 5 EDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1C[NH2+]CCC1(F)F ZINC000592483052 448855589 /nfs/dbraw/zinc/85/55/89/448855589.db2.gz UYLHSRXUXDVQDU-GFCCVEGCSA-N 1 0 328.319 1.368 20 5 EDBDRO Nc1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000588002774 448854537 /nfs/dbraw/zinc/85/45/37/448854537.db2.gz JSJNBSDLINGKLM-CQSZACIVSA-N 1 0 336.392 1.335 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000574410216 448867886 /nfs/dbraw/zinc/86/78/86/448867886.db2.gz BZIDABOSYAHJLB-ZIAGYGMSSA-N 1 0 337.376 1.681 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592537483 448887565 /nfs/dbraw/zinc/88/75/65/448887565.db2.gz GAMUFDITLQNZQX-AAEUAGOBSA-N 1 0 347.371 1.928 20 5 EDBDRO C[C@@H]1[C@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[N@@H+]1C ZINC000592746274 448966739 /nfs/dbraw/zinc/96/67/39/448966739.db2.gz RJHIXEJKFTVFCG-ZIAGYGMSSA-N 1 0 332.404 1.584 20 5 EDBDRO COCc1cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1F ZINC000521862917 449020047 /nfs/dbraw/zinc/02/00/47/449020047.db2.gz NIFHBQHSIMITEF-AWEZNQCLSA-N 1 0 338.339 1.228 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000589924703 449081729 /nfs/dbraw/zinc/08/17/29/449081729.db2.gz IHLZUTAZYAEMSV-YPMHNXCESA-N 1 0 325.390 1.228 20 5 EDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548387530 449036692 /nfs/dbraw/zinc/03/66/92/449036692.db2.gz KYUUKPDDGVZGHE-CHWSQXEVSA-N 1 0 349.435 2.060 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000589930123 449083990 /nfs/dbraw/zinc/08/39/90/449083990.db2.gz STDWPWGCBLZGNA-SMDDNHRTSA-N 1 0 325.390 1.061 20 5 EDBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582296670 449059702 /nfs/dbraw/zinc/05/97/02/449059702.db2.gz QVAYTNQJXXKOJZ-YUELXQCFSA-N 1 0 335.404 1.407 20 5 EDBDRO C[NH+](C)CCc1ccccc1NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000582310512 449064415 /nfs/dbraw/zinc/06/44/15/449064415.db2.gz KXFKGQYIOUNIBU-UHFFFAOYSA-N 1 0 329.360 1.928 20 5 EDBDRO CC[N@@H+]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000589843027 449068179 /nfs/dbraw/zinc/06/81/79/449068179.db2.gz RULDLFGOMRPYKS-JTQLQIEISA-N 1 0 327.331 1.968 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000590012470 449096756 /nfs/dbraw/zinc/09/67/56/449096756.db2.gz SRYWOJKQQUANOJ-QMTHXVAHSA-N 1 0 338.795 1.823 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)[C@@H]2C1 ZINC000590012823 449098650 /nfs/dbraw/zinc/09/86/50/449098650.db2.gz ZFOHESSJZRIQOC-TZMCWYRMSA-N 1 0 329.360 1.781 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000599897265 449103604 /nfs/dbraw/zinc/10/36/04/449103604.db2.gz VOXXIKZWMVZFOI-CMPLNLGQSA-N 1 0 334.376 1.352 20 5 EDBDRO C[C@H](C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000599938070 449116785 /nfs/dbraw/zinc/11/67/85/449116785.db2.gz LPZKQLFRYTWTAS-APHBMKBZSA-N 1 0 333.388 1.366 20 5 EDBDRO CCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CC[N@H+](C)C1 ZINC000597945001 449154308 /nfs/dbraw/zinc/15/43/08/449154308.db2.gz GFHZMABDWBFIKL-HNNXBMFYSA-N 1 0 343.387 1.947 20 5 EDBDRO CC[N@@H+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000611092073 449166022 /nfs/dbraw/zinc/16/60/22/449166022.db2.gz IEIMVZXEAXNKBW-CYBMUJFWSA-N 1 0 332.404 1.510 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000590446446 449167231 /nfs/dbraw/zinc/16/72/31/449167231.db2.gz TZJDZZMEVKLMLZ-CJNGLKHVSA-N 1 0 332.404 1.949 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590446456 449167296 /nfs/dbraw/zinc/16/72/96/449167296.db2.gz TZJDZZMEVKLMLZ-XJKSGUPXSA-N 1 0 332.404 1.949 20 5 EDBDRO COC(=O)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@H]12 ZINC000595738363 449140370 /nfs/dbraw/zinc/14/03/70/449140370.db2.gz RECXDVAUYYKSTP-KFWWJZLASA-N 1 0 336.392 1.845 20 5 EDBDRO COC(=O)[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593130749 449146801 /nfs/dbraw/zinc/14/68/01/449146801.db2.gz JEXYNBVSARZLJL-QWHCGFSZSA-N 1 0 347.371 1.664 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC2(COC2)C1 ZINC000595835973 449197310 /nfs/dbraw/zinc/19/73/10/449197310.db2.gz XTKPDCKUXYLRHR-UHFFFAOYSA-N 1 0 335.360 1.654 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3COC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595834902 449197653 /nfs/dbraw/zinc/19/76/53/449197653.db2.gz SXOZZZPONKGQOV-CHWSQXEVSA-N 1 0 349.387 1.900 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000590587983 449204231 /nfs/dbraw/zinc/20/42/31/449204231.db2.gz DMHYAWFXCIVPCB-ZYHUDNBSSA-N 1 0 343.405 1.317 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000590590464 449206713 /nfs/dbraw/zinc/20/67/13/449206713.db2.gz XMLNVKRISPAQOC-GXTWGEPZSA-N 1 0 341.433 1.925 20 5 EDBDRO CC[N@H+](CCCNC(=O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000593248926 449187204 /nfs/dbraw/zinc/18/72/04/449187204.db2.gz HGDGJLAZNPVVHZ-UHFFFAOYSA-N 1 0 337.424 1.952 20 5 EDBDRO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595825745 449188439 /nfs/dbraw/zinc/18/84/39/449188439.db2.gz GDMGLBOQMZRTEZ-CQSZACIVSA-N 1 0 336.392 1.661 20 5 EDBDRO COC(=O)c1cnc(N2CCC3(C2)CC[NH+](C)CC3)c([N+](=O)[O-])c1 ZINC000590568151 449195090 /nfs/dbraw/zinc/19/50/90/449195090.db2.gz XLGNBTHFRNTHTJ-UHFFFAOYSA-N 1 0 334.376 1.699 20 5 EDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CCc2ccccc21 ZINC000595876167 449226130 /nfs/dbraw/zinc/22/61/30/449226130.db2.gz FAAFKIMBZZKGIB-HOCLYGCPSA-N 1 0 330.388 1.814 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000593337763 449231349 /nfs/dbraw/zinc/23/13/49/449231349.db2.gz RUHXEZQYZAZOHF-KRWDZBQOSA-N 1 0 343.387 1.723 20 5 EDBDRO NC(=O)C[C@@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274951 449245117 /nfs/dbraw/zinc/24/51/17/449245117.db2.gz FEIAFZGTWWCGEP-NSHDSACASA-N 1 0 335.360 1.453 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC000595909345 449247935 /nfs/dbraw/zinc/24/79/35/449247935.db2.gz LSLPTLHGNCDPCN-HRCADAONSA-N 1 0 336.392 1.045 20 5 EDBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000604539951 449249664 /nfs/dbraw/zinc/24/96/64/449249664.db2.gz OQXCTPVXEDPBMM-LLVKDONJSA-N 1 0 342.421 1.209 20 5 EDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000595922751 449255575 /nfs/dbraw/zinc/25/55/75/449255575.db2.gz JSMUYMSESSVGTR-ZDUSSCGKSA-N 1 0 346.309 1.665 20 5 EDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000595924970 449256864 /nfs/dbraw/zinc/25/68/64/449256864.db2.gz LHVHHZLVRAPDFX-CYBMUJFWSA-N 1 0 344.375 1.431 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000595937488 449267026 /nfs/dbraw/zinc/26/70/26/449267026.db2.gz VHCATFXCMZJQPR-ZDUSSCGKSA-N 1 0 347.293 1.632 20 5 EDBDRO O=C(N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000595942539 449269418 /nfs/dbraw/zinc/26/94/18/449269418.db2.gz JULIXXWACQQZMP-UHFFFAOYSA-N 1 0 344.415 1.918 20 5 EDBDRO O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000593907516 449277157 /nfs/dbraw/zinc/27/71/57/449277157.db2.gz REEPTKJZLUKMQN-ZIAGYGMSSA-N 1 0 333.392 1.485 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000590765378 449285605 /nfs/dbraw/zinc/28/56/05/449285605.db2.gz SUMXUWHWPSIQBA-ZFWWWQNUSA-N 1 0 331.372 1.720 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000594106186 449356873 /nfs/dbraw/zinc/35/68/73/449356873.db2.gz PHZBNWBBVFYQNK-DRQUAOQDSA-N 1 0 343.387 1.851 20 5 EDBDRO CC1([NH+]2CCOCC2)CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000600411688 449362812 /nfs/dbraw/zinc/36/28/12/449362812.db2.gz UKVFLZJIMBYYPR-UHFFFAOYSA-N 1 0 339.417 1.983 20 5 EDBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596109765 449365531 /nfs/dbraw/zinc/36/55/31/449365531.db2.gz INLJVWOFLMNOCB-LBPRGKRZSA-N 1 0 337.380 1.050 20 5 EDBDRO CCCC[N@H+](C)CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596122508 449374168 /nfs/dbraw/zinc/37/41/68/449374168.db2.gz JZIVGNLXWCQJCF-UHFFFAOYSA-N 1 0 330.410 1.386 20 5 EDBDRO C[NH+](C)CCOC1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596122740 449374217 /nfs/dbraw/zinc/37/42/17/449374217.db2.gz CFSXKEKBPCCXQW-UHFFFAOYSA-N 1 0 336.392 1.241 20 5 EDBDRO Cc1cc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc([N+](=O)[O-])c1 ZINC000598452806 449402259 /nfs/dbraw/zinc/40/22/59/449402259.db2.gz MJUSJMQBHXUYLW-MRXNPFEDSA-N 1 0 333.388 1.574 20 5 EDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000598452911 449402329 /nfs/dbraw/zinc/40/23/29/449402329.db2.gz NQWLTMSIRIJQJP-LBPRGKRZSA-N 1 0 325.390 1.328 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000598452229 449402514 /nfs/dbraw/zinc/40/25/14/449402514.db2.gz HQBQYBLLSGKIPJ-MRXNPFEDSA-N 1 0 333.388 1.195 20 5 EDBDRO COc1ccc(CC(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)cc1[N+](=O)[O-] ZINC000602175187 449405356 /nfs/dbraw/zinc/40/53/56/449405356.db2.gz WTCYVIPSCIODBJ-LSDHHAIUSA-N 1 0 335.404 1.991 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000598610183 449492016 /nfs/dbraw/zinc/49/20/16/449492016.db2.gz FNNBFPKJUFHYGI-SNVBAGLBSA-N 1 0 329.422 1.688 20 5 EDBDRO Cc1nn(C)c(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598563003 449467158 /nfs/dbraw/zinc/46/71/58/449467158.db2.gz YWYJEBUUAXHYKQ-ZDUSSCGKSA-N 1 0 335.408 1.489 20 5 EDBDRO CC(C)(C)c1ccc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594391756 449488166 /nfs/dbraw/zinc/48/81/66/449488166.db2.gz DFMQZXWTLWMBAS-UONOGXRCSA-N 1 0 347.415 1.783 20 5 EDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1ccn(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000598669302 449530855 /nfs/dbraw/zinc/53/08/55/449530855.db2.gz GZPVTRNNVGYTMW-SJKOYZFVSA-N 1 0 341.371 1.734 20 5 EDBDRO [NH3+]C[C@H](CO)Cc1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1 ZINC000600793414 449547765 /nfs/dbraw/zinc/54/77/65/449547765.db2.gz OHWBXRZRQWUFEK-CQSZACIVSA-N 1 0 330.384 1.906 20 5 EDBDRO C[NH2+]C1(CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCC1 ZINC000600826091 449567762 /nfs/dbraw/zinc/56/77/62/449567762.db2.gz XZSYOXOBIKKHNL-UHFFFAOYSA-N 1 0 330.348 1.047 20 5 EDBDRO CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)C1CC[NH2+]CC1 ZINC000602423736 449576606 /nfs/dbraw/zinc/57/66/06/449576606.db2.gz FDWHTPRUQJTTIC-UHFFFAOYSA-N 1 0 347.350 1.744 20 5 EDBDRO C[C@H]1C[NH2+]CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000602428586 449578620 /nfs/dbraw/zinc/57/86/20/449578620.db2.gz AZONEWWFGVZFPK-JTQLQIEISA-N 1 0 333.323 1.354 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]CC2(C)C)c(C)c1[N+](=O)[O-] ZINC000598713914 449559112 /nfs/dbraw/zinc/55/91/12/449559112.db2.gz FBMZUWBTDFNIFI-CYBMUJFWSA-N 1 0 341.433 1.878 20 5 EDBDRO [NH3+]C[C@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000594523947 449560963 /nfs/dbraw/zinc/56/09/63/449560963.db2.gz FOIARHRPCMDZRS-NSHDSACASA-N 1 0 348.281 1.257 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCc4n[nH]cc4C3)CC2)cn1 ZINC000602551390 449668996 /nfs/dbraw/zinc/66/89/96/449668996.db2.gz JIONZYVCCUNFOW-CQSZACIVSA-N 1 0 342.403 1.829 20 5 EDBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H](C)N1CCOCC1 ZINC000602567153 449677927 /nfs/dbraw/zinc/67/79/27/449677927.db2.gz VGFHMRBNFWNXEC-RYUDHWBXSA-N 1 0 334.376 1.935 20 5 EDBDRO Cn1cc(C[NH2+]CCN2CC[C@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599020030 449700214 /nfs/dbraw/zinc/70/02/14/449700214.db2.gz VTAFDBIVLNUWEQ-INIZCTEOSA-N 1 0 345.403 1.152 20 5 EDBDRO C[C@@H]1CC[C@@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000599104030 449735149 /nfs/dbraw/zinc/73/51/49/449735149.db2.gz KZRCNVKFGFIVJS-DGCLKSJQSA-N 1 0 327.406 1.197 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599103717 449735389 /nfs/dbraw/zinc/73/53/89/449735389.db2.gz JXULWDHONSGSPZ-NWDGAFQWSA-N 1 0 327.406 1.630 20 5 EDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594775267 449687979 /nfs/dbraw/zinc/68/79/79/449687979.db2.gz JDIWJMXDSDXFDP-RYUDHWBXSA-N 1 0 340.405 1.095 20 5 EDBDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000598996912 449688059 /nfs/dbraw/zinc/68/80/59/449688059.db2.gz RRBUFPAUHFKLLN-ZBFHGGJFSA-N 1 0 338.360 1.804 20 5 EDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594775266 449688298 /nfs/dbraw/zinc/68/82/98/449688298.db2.gz JDIWJMXDSDXFDP-NWDGAFQWSA-N 1 0 340.405 1.095 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)c(Cl)c1 ZINC000599107490 449739943 /nfs/dbraw/zinc/73/99/43/449739943.db2.gz MHKHILCJAAGXBI-LBPRGKRZSA-N 1 0 345.808 1.811 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])s1 ZINC000601310619 449820725 /nfs/dbraw/zinc/82/07/25/449820725.db2.gz RGUAYISBHCFEEO-SNVBAGLBSA-N 1 0 347.462 1.975 20 5 EDBDRO CS[C@@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000602809843 449825563 /nfs/dbraw/zinc/82/55/63/449825563.db2.gz QVHXMZBEUJQNQD-UONOGXRCSA-N 1 0 339.465 1.611 20 5 EDBDRO Cc1cccc(CC2C[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000612676858 449828685 /nfs/dbraw/zinc/82/86/85/449828685.db2.gz ILTICDWHGUCAQR-KRWDZBQOSA-N 1 0 330.388 1.635 20 5 EDBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602764623 449790790 /nfs/dbraw/zinc/79/07/90/449790790.db2.gz FAJZKQIRRXVWBC-CQSZACIVSA-N 1 0 337.424 1.728 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601351659 449864917 /nfs/dbraw/zinc/86/49/17/449864917.db2.gz LIEUKRTWPBOEOC-STQMWFEESA-N 1 0 339.417 1.666 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c(C)cc1[N+](=O)[O-] ZINC000595103070 449869646 /nfs/dbraw/zinc/86/96/46/449869646.db2.gz WGXUKLCDSMOEEV-HZMBPMFUSA-N 1 0 341.433 1.960 20 5 EDBDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1CCC[NH3+] ZINC000595117983 449878873 /nfs/dbraw/zinc/87/88/73/449878873.db2.gz JZRQDTJYBISETO-DGCLKSJQSA-N 1 0 342.421 1.518 20 5 EDBDRO CO[C@@]1(C(F)(F)F)CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000614923453 449879239 /nfs/dbraw/zinc/87/92/39/449879239.db2.gz AIUIVQLFFKPHKO-ZDUSSCGKSA-N 1 0 349.309 1.800 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[C@@H]([NH3+])C(C)C)c1C ZINC000595119966 449880902 /nfs/dbraw/zinc/88/09/02/449880902.db2.gz CSMKSKGJFYNQKR-GFCCVEGCSA-N 1 0 329.422 1.863 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1C ZINC000595123271 449883906 /nfs/dbraw/zinc/88/39/06/449883906.db2.gz VMCHPLUEPXLFAZ-GHMZBOCLSA-N 1 0 331.369 1.271 20 5 EDBDRO CCN(C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000595130011 449888483 /nfs/dbraw/zinc/88/84/83/449888483.db2.gz IHKKGBRIKIEFMJ-AWEZNQCLSA-N 1 0 348.403 1.784 20 5 EDBDRO CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CC[N@H+](CC)C1 ZINC000595132093 449890128 /nfs/dbraw/zinc/89/01/28/449890128.db2.gz RSIUYNKZOZKETM-AWEZNQCLSA-N 1 0 348.403 1.784 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000602842641 449849323 /nfs/dbraw/zinc/84/93/23/449849323.db2.gz ZDIKSGCGOGYZTK-NSHDSACASA-N 1 0 349.357 1.916 20 5 EDBDRO COC[C@H](CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)OC ZINC000595060647 449852197 /nfs/dbraw/zinc/85/21/97/449852197.db2.gz NGGYGKQZXUJFTI-MJBXVCDLSA-N 1 0 326.397 1.916 20 5 EDBDRO Cn1cc(C(=O)NC[C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000602941213 449943427 /nfs/dbraw/zinc/94/34/27/449943427.db2.gz HHQJUQPFOAJNRA-INIZCTEOSA-N 1 0 343.387 1.723 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3ccccc3)[C@H]([NH3+])C2)n1 ZINC000595222775 449957974 /nfs/dbraw/zinc/95/79/74/449957974.db2.gz XWLDAGDNEUUUIE-CHWSQXEVSA-N 1 0 329.360 1.285 20 5 EDBDRO CC[N@@H+]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000601440382 449962336 /nfs/dbraw/zinc/96/23/36/449962336.db2.gz QKHDEKNUHSTFNR-LBPRGKRZSA-N 1 0 327.406 1.700 20 5 EDBDRO Cc1ccc(C[NH2+]CCCN2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000609223527 449979114 /nfs/dbraw/zinc/97/91/14/449979114.db2.gz CRPFIQYXWZBHFX-UHFFFAOYSA-N 1 0 327.406 1.418 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595353610 450067871 /nfs/dbraw/zinc/06/78/71/450067871.db2.gz IJWDIYFBTZTWFF-NSHDSACASA-N 1 0 343.405 1.366 20 5 EDBDRO CC[C@@H]1[C@@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC[N@@H+]1C ZINC000601519597 450041327 /nfs/dbraw/zinc/04/13/27/450041327.db2.gz CIVOSJSKJSKATR-JKSUJKDBSA-N 1 0 333.388 1.915 20 5 EDBDRO CC(C)[NH2+][C@H]1CCCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000609595499 450062227 /nfs/dbraw/zinc/06/22/27/450062227.db2.gz CTAWXZMSVWNQPP-NSHDSACASA-N 1 0 342.421 1.209 20 5 EDBDRO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@@H]1CCOC1 ZINC000609631775 450077374 /nfs/dbraw/zinc/07/73/74/450077374.db2.gz WHRHBSAMCQCCAN-ZDUSSCGKSA-N 1 0 333.388 1.842 20 5 EDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000601572647 450082653 /nfs/dbraw/zinc/08/26/53/450082653.db2.gz ZURGXAFVWASFAK-UHFFFAOYSA-N 1 0 345.403 1.668 20 5 EDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000609675390 450083907 /nfs/dbraw/zinc/08/39/07/450083907.db2.gz PVZNSWUBWHVFNZ-SNVBAGLBSA-N 1 0 333.435 1.619 20 5 EDBDRO C[C@@H]1CN(CC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C[C@H](C)O1 ZINC000595374609 450087474 /nfs/dbraw/zinc/08/74/74/450087474.db2.gz HPTRFVZWKNEWCQ-ZNMIVQPWSA-N 1 0 349.435 1.585 20 5 EDBDRO CN(CCOCC[NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000599595904 450091074 /nfs/dbraw/zinc/09/10/74/450091074.db2.gz MTODNIOTYMZLRF-UHFFFAOYSA-N 1 0 348.306 1.635 20 5 EDBDRO C[C@@H](C(=O)N1CCC[C@](O)(C[NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000597574046 450117863 /nfs/dbraw/zinc/11/78/63/450117863.db2.gz MDHSMRHITBWLTH-DYVFJYSZSA-N 1 0 335.404 1.613 20 5 EDBDRO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1C[C@@H](O)C1 ZINC000599672328 450142660 /nfs/dbraw/zinc/14/26/60/450142660.db2.gz LGYSUJZCIAJYGS-JGZJWPJOSA-N 1 0 327.768 1.889 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000603213832 450147797 /nfs/dbraw/zinc/14/77/97/450147797.db2.gz AJCPSIWWZGYVMR-UHFFFAOYSA-N 1 0 336.783 1.293 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@H]4CC[C@@H](O)[C@@H]43)n2)c1 ZINC000599681398 450149172 /nfs/dbraw/zinc/14/91/72/450149172.db2.gz PXEYCVJLJKSFSK-PSOPSSQASA-N 1 0 330.344 1.990 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000610264719 450174889 /nfs/dbraw/zinc/17/48/89/450174889.db2.gz MJLGODPNAMYBEY-NEPJUHHUSA-N 1 0 342.421 1.483 20 5 EDBDRO C[NH+]1CCC2(CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)C2)CC1 ZINC000597662827 450178404 /nfs/dbraw/zinc/17/84/04/450178404.db2.gz AIQUAUYDWQHBKC-UHFFFAOYSA-N 1 0 347.371 1.881 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[NH+](CCCF)CC1 ZINC000599666673 450139945 /nfs/dbraw/zinc/13/99/45/450139945.db2.gz AVXRMFKQRPJOHY-CQSZACIVSA-N 1 0 341.383 1.312 20 5 EDBDRO Cc1ccc(C[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000610272542 450179499 /nfs/dbraw/zinc/17/94/99/450179499.db2.gz YPXZXXONKSPPQM-WFASDCNBSA-N 1 0 343.387 1.920 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000597694025 450201012 /nfs/dbraw/zinc/20/10/12/450201012.db2.gz IJGOXUDKJGQQET-UHFFFAOYSA-N 1 0 346.431 1.531 20 5 EDBDRO C[NH+](C)CC1CN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000597707896 450211940 /nfs/dbraw/zinc/21/19/40/450211940.db2.gz IKUAKQSKLAGSDP-UHFFFAOYSA-N 1 0 348.403 1.065 20 5 EDBDRO CC[N@@H+]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000595535786 450213929 /nfs/dbraw/zinc/21/39/29/450213929.db2.gz QJMKPARUYRBTPM-GDBMZVCRSA-N 1 0 337.420 1.751 20 5 EDBDRO O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1CSCC[NH2+]1 ZINC000603419639 450292249 /nfs/dbraw/zinc/29/22/49/450292249.db2.gz OSBYOJUNXOZSQV-QMMMGPOBSA-N 1 0 333.211 1.869 20 5 EDBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000603460846 450305906 /nfs/dbraw/zinc/30/59/06/450305906.db2.gz DUFWKUMUNWBFNB-UHFFFAOYSA-N 1 0 333.344 1.680 20 5 EDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158564444 533929965 /nfs/dbraw/zinc/92/99/65/533929965.db2.gz KXJXJTOZMWAGIC-KOLCDFICSA-N 1 0 327.768 1.965 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000171718253 534060479 /nfs/dbraw/zinc/06/04/79/534060479.db2.gz VBYLKJGMNVDULB-KGLIPLIRSA-N 1 0 349.435 1.591 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178087146 534628158 /nfs/dbraw/zinc/62/81/58/534628158.db2.gz SRANYWJGHVAAQL-CQSZACIVSA-N 1 0 349.387 1.154 20 5 EDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NCCCN1CC[NH2+]CC1 ZINC000158820742 534671978 /nfs/dbraw/zinc/67/19/78/534671978.db2.gz NRUXIMCMWFAVDL-UHFFFAOYSA-N 1 0 338.433 1.098 20 5 EDBDRO O=C(NCC1=CC[NH2+]CC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186297923 534813975 /nfs/dbraw/zinc/81/39/75/534813975.db2.gz JQWIXBXVYFYPNA-UHFFFAOYSA-N 1 0 327.344 1.430 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261996204 535809297 /nfs/dbraw/zinc/80/92/97/535809297.db2.gz NEBAHGVZHRETII-IAQYHMDHSA-N 1 0 338.412 1.025 20 5 EDBDRO C[NH+](C)CCn1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1=O ZINC000270134661 535934046 /nfs/dbraw/zinc/93/40/46/535934046.db2.gz YMDYRVVGGSLPQT-UHFFFAOYSA-N 1 0 345.359 1.962 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000195188433 536368522 /nfs/dbraw/zinc/36/85/22/536368522.db2.gz JOYBUTGMHGKBEH-MRXNPFEDSA-N 1 0 332.404 1.333 20 5 EDBDRO C[N@@H+]1CCC[C@]2(CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)C1 ZINC000339426952 536394757 /nfs/dbraw/zinc/39/47/57/536394757.db2.gz DEUUYEYLTICIAI-QAPCUYQASA-N 1 0 349.431 1.752 20 5 EDBDRO COC(=O)c1cc(NC(=O)[C@H]([NH3+])C2CCOCC2)cc([N+](=O)[O-])c1 ZINC000261764141 536554852 /nfs/dbraw/zinc/55/48/52/536554852.db2.gz LYFITYBAQREBAU-CYBMUJFWSA-N 1 0 337.332 1.074 20 5 EDBDRO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)S(C)(=O)=O ZINC000783596992 578293202 /nfs/dbraw/zinc/29/32/02/578293202.db2.gz PECXTHHWPXTTEK-UHFFFAOYSA-N 1 0 335.813 1.619 20 5 EDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000726165200 578335307 /nfs/dbraw/zinc/33/53/07/578335307.db2.gz WXBZQBRGYDLGOS-STQMWFEESA-N 1 0 344.371 1.669 20 5 EDBDRO CC[NH+]1CCN(c2ccc(Nc3ncc([N+](=O)[O-])c(N)n3)cc2)CC1 ZINC000728049329 578542630 /nfs/dbraw/zinc/54/26/30/578542630.db2.gz OWWUUBQTNWLMFQ-UHFFFAOYSA-N 1 0 343.391 1.853 20 5 EDBDRO C[C@H](NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000729497269 578577807 /nfs/dbraw/zinc/57/78/07/578577807.db2.gz PYZKETXZIXDDIL-APHBMKBZSA-N 1 0 348.403 1.818 20 5 EDBDRO C[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000729919447 578599050 /nfs/dbraw/zinc/59/90/50/578599050.db2.gz JBJDIQZHIGJTNY-ZDUSSCGKSA-N 1 0 348.403 1.255 20 5 EDBDRO Cc1nn(C[NH+]2CCC3(CNC(=O)C3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000761294093 580054184 /nfs/dbraw/zinc/05/41/84/580054184.db2.gz YBJFLHOQWXCHRP-UHFFFAOYSA-N 1 0 343.387 1.813 20 5 EDBDRO CC(C)(C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000739708034 579239324 /nfs/dbraw/zinc/23/93/24/579239324.db2.gz CRWAPWRZWGFVER-HOTGVXAUSA-N 1 0 347.415 1.852 20 5 EDBDRO C[C@@H]1CN(CCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000749664494 579733881 /nfs/dbraw/zinc/73/38/81/579733881.db2.gz RKMXIMVCLTVTTF-CKEIUWERSA-N 1 0 337.420 1.717 20 5 EDBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000751254314 579799276 /nfs/dbraw/zinc/79/92/76/579799276.db2.gz QHEXZGZWPKYYGZ-LLVKDONJSA-N 1 0 345.396 1.887 20 5 EDBDRO Cc1cc(F)cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000753094910 579872470 /nfs/dbraw/zinc/87/24/70/579872470.db2.gz RRVCDABFSTZCBO-CHWSQXEVSA-N 1 0 337.351 1.635 20 5 EDBDRO Cn1c(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000756257119 579946833 /nfs/dbraw/zinc/94/68/33/579946833.db2.gz MNOAYZXIBPKWLL-UHFFFAOYSA-N 1 0 343.387 1.937 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000766650043 580171169 /nfs/dbraw/zinc/17/11/69/580171169.db2.gz QUNNLHZTCUDJIO-ZDUSSCGKSA-N 1 0 330.344 1.760 20 5 EDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cs1 ZINC000768807974 580220790 /nfs/dbraw/zinc/22/07/90/580220790.db2.gz BDQDSSMHILXPEA-LLVKDONJSA-N 1 0 345.446 1.905 20 5 EDBDRO CCc1nn(C)c(NC2CC[NH+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000769842957 580246978 /nfs/dbraw/zinc/24/69/78/580246978.db2.gz SYWHJGSFTOWABK-CYBMUJFWSA-N 1 0 337.424 1.946 20 5 EDBDRO COCCS(=O)(=O)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000775185587 580384963 /nfs/dbraw/zinc/38/49/63/580384963.db2.gz DCMWMUZGUBLSBV-GFCCVEGCSA-N 1 0 330.406 1.697 20 5 EDBDRO CC(C)[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000775424764 580390593 /nfs/dbraw/zinc/39/05/93/580390593.db2.gz TWYOXFBAEYKWLG-CVEARBPZSA-N 1 0 335.404 1.865 20 5 EDBDRO COCCS(=O)(=O)CCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000775575599 580394059 /nfs/dbraw/zinc/39/40/59/580394059.db2.gz DKKBPTPTEFUUPT-GFCCVEGCSA-N 1 0 330.406 1.697 20 5 EDBDRO CN(C)c1ncc(C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000780324849 580518621 /nfs/dbraw/zinc/51/86/21/580518621.db2.gz AHGANEVVQCPHEG-HNNXBMFYSA-N 1 0 331.376 1.616 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000785991579 580657739 /nfs/dbraw/zinc/65/77/39/580657739.db2.gz FFCKAUBRVBKXJB-KDOFPFPSSA-N 1 0 349.431 1.813 20 5 EDBDRO O=C(CC[N@@H+]1CCc2ccccc2C1)OCCn1ccc([N+](=O)[O-])n1 ZINC000786830770 580680565 /nfs/dbraw/zinc/68/05/65/580680565.db2.gz XVVFJBSNSNPQCI-UHFFFAOYSA-N 1 0 344.371 1.783 20 5 EDBDRO C[C@]12CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]1C2(Cl)Cl ZINC000792910745 580830644 /nfs/dbraw/zinc/83/06/44/580830644.db2.gz WBWNHWFSIMTIJE-UTUOFQBUSA-N 1 0 349.218 1.668 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000800478014 581053803 /nfs/dbraw/zinc/05/38/03/581053803.db2.gz RUNOKFRBJFQCSZ-MAUKXSAKSA-N 1 0 349.431 1.672 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000892145492 590821616 /nfs/dbraw/zinc/82/16/16/590821616.db2.gz SJBZXPLJLQFCGG-QWHCGFSZSA-N 1 0 346.362 1.979 20 5 EDBDRO COc1ccc(C(=O)OCCC[N@@H+]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000893391762 590831307 /nfs/dbraw/zinc/83/13/07/590831307.db2.gz ATJDRXQUBWTWNI-GFCCVEGCSA-N 1 0 338.360 1.871 20 5 EDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891723110 591198672 /nfs/dbraw/zinc/19/86/72/591198672.db2.gz NQCVKSVRRASZAD-LBPRGKRZSA-N 1 0 342.346 1.681 20 5 EDBDRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000895772299 591270377 /nfs/dbraw/zinc/27/03/77/591270377.db2.gz CSNDKQSEZVWQRN-UYWPIULCSA-N 1 0 331.372 1.493 20 5 EDBDRO C[C@@H](CNC(=O)NCCOCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000894367336 591291474 /nfs/dbraw/zinc/29/14/74/591291474.db2.gz SLAMAXBEWBLQGQ-ZDUSSCGKSA-N 1 0 338.408 1.576 20 5 EDBDRO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2COCCN2C)cc1C ZINC000894758209 591409792 /nfs/dbraw/zinc/40/97/92/591409792.db2.gz DMOPWOGGZIJMQJ-GFCCVEGCSA-N 1 0 337.376 1.822 20 5 EDBDRO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC([NH+]2CCCC2)C1 ZINC000898611534 591438000 /nfs/dbraw/zinc/43/80/00/591438000.db2.gz VQQWFNPFNYROSX-UHFFFAOYSA-N 1 0 342.359 1.096 20 5 EDBDRO C[NH+](C)CCOCCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000788018517 591679275 /nfs/dbraw/zinc/67/92/75/591679275.db2.gz PIRVWRJUXMPSMV-UHFFFAOYSA-N 1 0 344.799 1.626 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)cnc1NCCN1CCC2(C1)OCCO2 ZINC000895253693 591682845 /nfs/dbraw/zinc/68/28/45/591682845.db2.gz JVTFYEMQYDYUTI-UHFFFAOYSA-N 1 0 328.756 1.504 20 5 EDBDRO CNC(=O)c1ccc(NCCCCCN2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000900358527 591994303 /nfs/dbraw/zinc/99/43/03/591994303.db2.gz XGDRPYMEUSEDKJ-UHFFFAOYSA-N 1 0 349.435 1.442 20 5 EDBDRO [NH3+]C[C@@H]1CC2(CO1)CCN(c1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC000900362982 591995671 /nfs/dbraw/zinc/99/56/71/591995671.db2.gz JGJOZBGEANEZPB-NSHDSACASA-N 1 0 326.784 1.977 20 5 EDBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000900369179 591998790 /nfs/dbraw/zinc/99/87/90/591998790.db2.gz HXIASRMIFXOEHZ-WCQYABFASA-N 1 0 332.360 1.740 20 5 EDBDRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000900488900 592032206 /nfs/dbraw/zinc/03/22/06/592032206.db2.gz RYVCFTNOLNZJGC-SNVBAGLBSA-N 1 0 328.756 1.700 20 5 EDBDRO [NH3+]CCCc1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900641137 592070556 /nfs/dbraw/zinc/07/05/56/592070556.db2.gz LHIKXKRFSABGRN-UHFFFAOYSA-N 1 0 340.181 1.888 20 5 EDBDRO C[NH+](C)C[C@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CCO1 ZINC000900740300 592114185 /nfs/dbraw/zinc/11/41/85/592114185.db2.gz VMEWUTSCKAZBSE-JTQLQIEISA-N 1 0 345.758 1.790 20 5 EDBDRO CO[C@]1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CCS(=O)(=O)C1 ZINC000903367751 592161354 /nfs/dbraw/zinc/16/13/54/592161354.db2.gz KJOLPXXFRRFYDT-DOMZBBRYSA-N 1 0 342.417 1.758 20 5 EDBDRO O=C(NC12CC[NH+](CC1)C2)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000906634288 592243474 /nfs/dbraw/zinc/24/34/74/592243474.db2.gz XOLUIJNGNURPMB-UHFFFAOYSA-N 1 0 341.371 1.418 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C[C@H]1[NH+](C)C ZINC000906840374 592364382 /nfs/dbraw/zinc/36/43/82/592364382.db2.gz FKEWQNBUBPIGFS-WCQYABFASA-N 1 0 349.387 1.778 20 5 EDBDRO CCN([C@H]1CCC[NH2+]CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000905350086 592502370 /nfs/dbraw/zinc/50/23/70/592502370.db2.gz QISJLPYPIGBTOK-LBPRGKRZSA-N 1 0 327.406 1.748 20 5 EDBDRO CC(C)N1CC(NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000907514351 592697852 /nfs/dbraw/zinc/69/78/52/592697852.db2.gz FJYHTBZGMIUCND-UHFFFAOYSA-N 1 0 335.360 1.579 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910283910 592820909 /nfs/dbraw/zinc/82/09/09/592820909.db2.gz KALXZZLGXAERCM-ZDUSSCGKSA-N 1 0 349.387 1.729 20 5 EDBDRO C[NH2+]C1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000911787242 593008479 /nfs/dbraw/zinc/00/84/79/593008479.db2.gz PFXGVPXGVVBKQA-HNNXBMFYSA-N 1 0 332.360 1.298 20 5 EDBDRO C[NH+]1CCC(N(CCO)C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000911944589 593037436 /nfs/dbraw/zinc/03/74/36/593037436.db2.gz ALFNBGYVUYGATF-DLBZAZTESA-N 1 0 347.415 1.613 20 5 EDBDRO C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000803339318 593320789 /nfs/dbraw/zinc/32/07/89/593320789.db2.gz KBANNEFDURHBEG-KRWDZBQOSA-N 1 0 343.387 1.960 20 5 EDBDRO O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N1c1ccc([N+](=O)[O-])cc1F ZINC000813355942 593529136 /nfs/dbraw/zinc/52/91/36/593529136.db2.gz RFHWDZZGMWYWOF-LBPRGKRZSA-N 1 0 336.323 1.645 20 5 EDBDRO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815599069 593644024 /nfs/dbraw/zinc/64/40/24/593644024.db2.gz KHFPDAXPQGGPKC-JTQLQIEISA-N 1 0 327.406 1.652 20 5 EDBDRO C[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815615696 593644470 /nfs/dbraw/zinc/64/44/70/593644470.db2.gz VGZKRRFKCDVWLC-ZYHUDNBSSA-N 1 0 327.406 1.795 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000818576066 593705270 /nfs/dbraw/zinc/70/52/70/593705270.db2.gz OXISYNUHEXKSGM-VHDGCEQUSA-N 1 0 343.387 1.530 20 5 EDBDRO COC[C@@]1(CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])CCC[NH2+]1 ZINC000818589773 593706081 /nfs/dbraw/zinc/70/60/81/593706081.db2.gz KKAVWCZUTXMQOI-HNNXBMFYSA-N 1 0 325.340 1.541 20 5 EDBDRO CC(C)(C)[S@@](=O)CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819056166 593736253 /nfs/dbraw/zinc/73/62/53/593736253.db2.gz JDNYTURPIUDGRP-SPSFWMDKSA-N 1 0 344.433 1.471 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCOc2cccnc2)c1 ZINC000819067846 593737073 /nfs/dbraw/zinc/73/70/73/593737073.db2.gz CNOJHDIMBRPQJQ-AWEZNQCLSA-N 1 0 333.344 1.398 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CSCCS2)c1 ZINC000819142687 593741058 /nfs/dbraw/zinc/74/10/58/593741058.db2.gz SZYOPHFJJLUKIH-OCCSQVGLSA-N 1 0 344.458 1.773 20 5 EDBDRO Cc1ncc(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000819179289 593743024 /nfs/dbraw/zinc/74/30/24/593743024.db2.gz LEYUWKHQTIUIGY-CYBMUJFWSA-N 1 0 337.401 1.932 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2cn3c(n2)SCC3)cc1 ZINC000819232157 593745826 /nfs/dbraw/zinc/74/58/26/593745826.db2.gz IIEDTPPBBYVTOF-CQSZACIVSA-N 1 0 334.401 1.763 20 5 EDBDRO C[N@@H+]1CCN(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000819286053 593748490 /nfs/dbraw/zinc/74/84/90/593748490.db2.gz DUUMDCVVJONAJK-INIZCTEOSA-N 1 0 336.436 1.244 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000820752038 593880782 /nfs/dbraw/zinc/88/07/82/593880782.db2.gz JSUXYZJEUBBZES-PWSUYJOCSA-N 1 0 331.380 1.551 20 5 EDBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000821051669 593953841 /nfs/dbraw/zinc/95/38/41/593953841.db2.gz FQLMKGKAUGFQFL-YESZJQIVSA-N 1 0 347.415 1.661 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000822038377 593986414 /nfs/dbraw/zinc/98/64/14/593986414.db2.gz TUBSWTMVNKENTB-AWEZNQCLSA-N 1 0 348.447 1.967 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000822651554 594079628 /nfs/dbraw/zinc/07/96/28/594079628.db2.gz DYEMOFPEGJPRAI-UHFFFAOYSA-N 1 0 335.339 1.939 20 5 EDBDRO C[C@@H]1CN(CCNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000824950503 594103508 /nfs/dbraw/zinc/10/35/08/594103508.db2.gz OXZSDYWIRMLSMK-UTJXIGIESA-N 1 0 347.415 1.924 20 5 EDBDRO CC(C)(CCC(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1)[N+](=O)[O-] ZINC000822836552 594109245 /nfs/dbraw/zinc/10/92/45/594109245.db2.gz HRMBHIMJMCEPRC-CQSZACIVSA-N 1 0 327.425 1.535 20 5 EDBDRO C[C@H]([NH3+])[C@H](C)c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000823114647 594155459 /nfs/dbraw/zinc/15/54/59/594155459.db2.gz FUPVRJLEADNVSP-UWVGGRQHSA-N 1 0 333.348 1.287 20 5 EDBDRO C[C@H]1[NH2+]CC[C@@H]1c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000823116007 594155665 /nfs/dbraw/zinc/15/56/65/594155665.db2.gz OVGSSOIUHPAKMP-MFKMUULPSA-N 1 0 345.359 1.302 20 5 EDBDRO O=[N+]([O-])c1cc(-c2noc(C[C@H]3CC[NH2+]C3)n2)ccc1-n1cncn1 ZINC000823260230 594177129 /nfs/dbraw/zinc/17/71/29/594177129.db2.gz UXSLDVAWVHFRJC-SNVBAGLBSA-N 1 0 341.331 1.378 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CC3)CC2)cc1-c1nn[nH]n1 ZINC000826499135 594502497 /nfs/dbraw/zinc/50/24/97/594502497.db2.gz WWILDMAXGNTRQM-UHFFFAOYSA-N 1 0 329.364 1.307 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)cc1-c1nn[nH]n1 ZINC000826498482 594502988 /nfs/dbraw/zinc/50/29/88/594502988.db2.gz WZKLWQXYMDAVSJ-GFCCVEGCSA-N 1 0 329.364 1.449 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000829216455 594582854 /nfs/dbraw/zinc/58/28/54/594582854.db2.gz YFOPXKQKYLQVMD-LBPRGKRZSA-N 1 0 344.375 1.232 20 5 EDBDRO [NH3+]CCCCCCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000831248166 594591477 /nfs/dbraw/zinc/59/14/77/594591477.db2.gz BLTIEEBROFKTTB-UHFFFAOYSA-N 1 0 349.435 1.946 20 5 EDBDRO CN1CC[NH+](C2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)CC1 ZINC000827473487 594675575 /nfs/dbraw/zinc/67/55/75/594675575.db2.gz KGJZSGKRYBDANW-UHFFFAOYSA-N 1 0 347.419 1.029 20 5 EDBDRO CCO[C@@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])C[NH+](C)C ZINC000831725260 594696563 /nfs/dbraw/zinc/69/65/63/594696563.db2.gz XDSUDEYNKQQTFZ-NSHDSACASA-N 1 0 325.365 1.300 20 5 EDBDRO CCO[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC)C[NH+](C)C ZINC000831771142 594701443 /nfs/dbraw/zinc/70/14/43/594701443.db2.gz IXIKGYXDPWQLNW-GFCCVEGCSA-N 1 0 325.365 1.300 20 5 EDBDRO C[NH+]1CCC(CCO)(NC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000831783762 594702756 /nfs/dbraw/zinc/70/27/56/594702756.db2.gz CRPZZZKMFHTHOS-UHFFFAOYSA-N 1 0 325.340 1.311 20 5 EDBDRO O=C(NCCCN1CC[NH2+]CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000832217427 594736145 /nfs/dbraw/zinc/73/61/45/594736145.db2.gz FQYMBTCCSWDWMN-UHFFFAOYSA-N 1 0 326.784 1.273 20 5 EDBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000841161549 594861042 /nfs/dbraw/zinc/86/10/42/594861042.db2.gz NDLGNIJLDDPWHO-JTQLQIEISA-N 1 0 334.376 1.390 20 5 EDBDRO [NH3+]C1CCC(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000841944732 594987236 /nfs/dbraw/zinc/98/72/36/594987236.db2.gz CLNAFAMDBYZRNO-UHFFFAOYSA-N 1 0 347.419 1.696 20 5 EDBDRO CC(C)(C[NH+]1CCCC1)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000837172723 595049784 /nfs/dbraw/zinc/04/97/84/595049784.db2.gz QLDFFENFSZCGMG-UHFFFAOYSA-N 1 0 349.387 1.777 20 5 EDBDRO CN(CCN1CC[NH2+]CC1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843338169 595079178 /nfs/dbraw/zinc/07/91/78/595079178.db2.gz KGTNXYSMMRWGJT-UHFFFAOYSA-N 1 0 326.784 1.225 20 5 EDBDRO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842483286 595118726 /nfs/dbraw/zinc/11/87/26/595118726.db2.gz HUIUTLORRIQISD-LLVKDONJSA-N 1 0 335.813 1.900 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000843479395 595124738 /nfs/dbraw/zinc/12/47/38/595124738.db2.gz PBBLPYOWUAFQRJ-ZDUSSCGKSA-N 1 0 334.332 1.683 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@@H]4OCC[C@@H]4C3)n2)c1 ZINC000842626085 595148708 /nfs/dbraw/zinc/14/87/08/595148708.db2.gz NCQLCLUWWFPDOR-HIFRSBDPSA-N 1 0 329.360 1.922 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC1CC[NH2+]CC1 ZINC000842686006 595170241 /nfs/dbraw/zinc/17/02/41/595170241.db2.gz BXOHIRHIELLGGK-UHFFFAOYSA-N 1 0 347.824 1.835 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000842790037 595199801 /nfs/dbraw/zinc/19/98/01/595199801.db2.gz BXCAMPOHMDVHDK-UWVGGRQHSA-N 1 0 347.824 1.914 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)c2ccsc2)c1 ZINC000843081320 595282284 /nfs/dbraw/zinc/28/22/84/595282284.db2.gz BEOGQCVODQZQHG-UKRRQHHQSA-N 1 0 338.385 1.719 20 5 EDBDRO CCc1ccc([C@@H](O)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000843091280 595285244 /nfs/dbraw/zinc/28/52/44/595285244.db2.gz BNDNWWYCQSUBIL-HOTGVXAUSA-N 1 0 334.376 1.038 20 5 EDBDRO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000848481320 595390756 /nfs/dbraw/zinc/39/07/56/595390756.db2.gz AVINURFBHRQBAV-AEFFLSMTSA-N 1 0 345.399 1.981 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848490273 595394467 /nfs/dbraw/zinc/39/44/67/595394467.db2.gz YITQRSBDYWBDJW-IAGOWNOFSA-N 1 0 346.431 1.894 20 5 EDBDRO COCC[NH+]1CCC(OC(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000847882500 595496062 /nfs/dbraw/zinc/49/60/62/595496062.db2.gz LQDARKYXOXQRNZ-UHFFFAOYSA-N 1 0 338.360 1.871 20 5 EDBDRO Cc1cc(S(=O)(=O)NC2CC3(CC([NH3+])C3)C2)c(C)cc1[N+](=O)[O-] ZINC000850586873 595538996 /nfs/dbraw/zinc/53/89/96/595538996.db2.gz JEJBHRTVBCNRMN-UHFFFAOYSA-N 1 0 339.417 1.760 20 5 EDBDRO [NH3+]CC12CC(C1)CN2S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000850590788 595541651 /nfs/dbraw/zinc/54/16/51/595541651.db2.gz BYTMFXWISGBIOR-UHFFFAOYSA-N 1 0 331.781 1.360 20 5 EDBDRO Cc1ccc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000850363994 595820166 /nfs/dbraw/zinc/82/01/66/595820166.db2.gz NNUPOKVZIRPNCQ-UHFFFAOYSA-N 1 0 340.323 1.970 20 5 EDBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cccc([N+](=O)[O-])c1Cl ZINC000861862429 596128893 /nfs/dbraw/zinc/12/88/93/596128893.db2.gz QRGUPQQQIGNPLN-LLVKDONJSA-N 1 0 341.795 1.825 20 5 EDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000854650928 596150800 /nfs/dbraw/zinc/15/08/00/596150800.db2.gz AVPNKLBNJBSATF-ZWNOBZJWSA-N 1 0 325.340 1.664 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c(Cl)c1 ZINC000866827429 596368519 /nfs/dbraw/zinc/36/85/19/596368519.db2.gz MPRVZVCIUGFNQW-NWDGAFQWSA-N 1 0 345.808 1.763 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc([N+](=O)[O-])c1F ZINC000866827930 596368627 /nfs/dbraw/zinc/36/86/27/596368627.db2.gz TXWLCYHPUOCMCC-VXGBXAGGSA-N 1 0 343.380 1.557 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000867815137 596566956 /nfs/dbraw/zinc/56/69/56/596566956.db2.gz XNTHYSJBQSIVRR-TZMCWYRMSA-N 1 0 339.417 1.618 20 5 EDBDRO C[C@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)CC[N@@H+]1CC(C)(C)O ZINC000865710246 596657176 /nfs/dbraw/zinc/65/71/76/596657176.db2.gz NWSJGNABKCMPPP-NSHDSACASA-N 1 0 341.383 1.508 20 5 EDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC1CS(=O)(=O)C1 ZINC000866344897 596862856 /nfs/dbraw/zinc/86/28/56/596862856.db2.gz BLJGSRYMNCVYPP-SNVBAGLBSA-N 1 0 330.381 1.689 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000872278011 596865779 /nfs/dbraw/zinc/86/57/79/596865779.db2.gz DJSTWYJKSKKBEU-GDBMZVCRSA-N 1 0 338.408 1.576 20 5 EDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000866384509 596872124 /nfs/dbraw/zinc/87/21/24/596872124.db2.gz ZFMIXUVEFYYATM-GWCFXTLKSA-N 1 0 345.396 1.288 20 5 EDBDRO O=C(NCCN1CC[NH2+]CC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876510699 597225254 /nfs/dbraw/zinc/22/52/54/597225254.db2.gz PLNZHYWWGVVXRT-UHFFFAOYSA-N 1 0 328.372 1.383 20 5 EDBDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000876702863 597294294 /nfs/dbraw/zinc/29/42/94/597294294.db2.gz GFFJDMPYXDXJIU-BXUZGUMPSA-N 1 0 327.768 1.631 20 5 EDBDRO COc1cccc(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000877359646 597500950 /nfs/dbraw/zinc/50/09/50/597500950.db2.gz HTNHRNNPEBBVIZ-SCZZXKLOSA-N 1 0 347.293 1.813 20 5 EDBDRO O=C1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CN1CC1CC1 ZINC000883394454 597730706 /nfs/dbraw/zinc/73/07/06/597730706.db2.gz AMIQHNUXZFNLLX-KKUMJFAQSA-N 1 0 347.419 1.876 20 5 EDBDRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000883474029 597764805 /nfs/dbraw/zinc/76/48/05/597764805.db2.gz XTIBLZITUOUOMV-CYBMUJFWSA-N 1 0 341.433 1.974 20 5 EDBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2CCn1ccc([N+](=O)[O-])n1 ZINC000879219799 597854722 /nfs/dbraw/zinc/85/47/22/597854722.db2.gz XCDBWJVNEAMNSR-RYUDHWBXSA-N 1 0 337.380 1.485 20 5 EDBDRO O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000882381279 597951420 /nfs/dbraw/zinc/95/14/20/597951420.db2.gz UPQBNHCUHVZGBK-HZPDHXFCSA-N 1 0 347.415 1.185 20 5 EDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000882490694 597975890 /nfs/dbraw/zinc/97/58/90/597975890.db2.gz UKKAOMXBYAONGC-GFCCVEGCSA-N 1 0 329.360 1.605 20 5 EDBDRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000882767221 598050495 /nfs/dbraw/zinc/05/04/95/598050495.db2.gz GHIIYIUZXGEHAS-UHFFFAOYSA-N 1 0 340.405 1.239 20 5 EDBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@H](O)C1CC1 ZINC000128855490 598096270 /nfs/dbraw/zinc/09/62/70/598096270.db2.gz AJSOFOBUIXVROM-AWEZNQCLSA-N 1 0 325.340 1.765 20 5 EDBDRO CCC[NH+]1CCC(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000915293651 695783928 /nfs/dbraw/zinc/78/39/28/695783928.db2.gz VYDJNLMPRRMEIL-UHFFFAOYSA-N 1 0 345.403 1.935 20 5 EDBDRO CC(C)Oc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001031661855 697435955 /nfs/dbraw/zinc/43/59/55/697435955.db2.gz KTYQOPKJJJLKIS-IAGOWNOFSA-N 1 0 347.415 1.687 20 5 EDBDRO Cn1ccc(C(=O)N2CCC([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000997304177 703563803 /nfs/dbraw/zinc/56/38/03/703563803.db2.gz YDMUJGYQVRSYSW-UHFFFAOYSA-N 1 0 343.387 1.723 20 5 EDBDRO Cc1nc(C)c(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001005382839 708816897 /nfs/dbraw/zinc/81/68/97/708816897.db2.gz QXGMOEBYZUFTRN-ZIAGYGMSSA-N 1 0 336.392 1.379 20 5 EDBDRO Cn1nccc1C(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001002432466 708951648 /nfs/dbraw/zinc/95/16/48/708951648.db2.gz RLBHKFYYQTVTGZ-UHFFFAOYSA-N 1 0 343.387 1.723 20 5 EDBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1cocn1 ZINC001002440627 708976446 /nfs/dbraw/zinc/97/64/46/708976446.db2.gz LPWOQHJTBCGOHL-UHFFFAOYSA-N 1 0 330.344 1.977 20 5 EDBDRO Cc1conc1CNCc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001034816970 711199782 /nfs/dbraw/zinc/19/97/82/711199782.db2.gz XSCYERUEHXSHAB-GDBMZVCRSA-N 1 0 344.371 1.554 20 5 EDBDRO CNC(=O)CCC[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000155017477 529851898 /nfs/dbraw/zinc/85/18/98/529851898.db2.gz GIITYHHPJPAPGG-UHFFFAOYSA-N 1 0 325.365 1.440 20 5 EDBDRO CNS(=O)(=O)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000187177061 530018685 /nfs/dbraw/zinc/01/86/85/530018685.db2.gz QANCNGRGTRCFGD-OCCSQVGLSA-N 1 0 341.433 1.445 20 5 EDBDRO CC[N@H+](CCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)C(C)C ZINC000102479568 219207551 /nfs/dbraw/zinc/20/75/51/219207551.db2.gz YGEGRHQFDLRCBL-UHFFFAOYSA-N 1 0 339.392 1.829 20 5 EDBDRO CC(C)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)[NH+]1CCC(C)CC1 ZINC000041401104 213444184 /nfs/dbraw/zinc/44/41/84/213444184.db2.gz CEWBTBVPLVMABW-OAHLLOKOSA-N 1 0 337.424 1.664 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cc3c(s2)CCCC3)c1 ZINC000562492490 306300284 /nfs/dbraw/zinc/30/02/84/306300284.db2.gz QTXDLCDCCWLUOM-ZDUSSCGKSA-N 1 0 336.417 1.882 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000563133958 306319818 /nfs/dbraw/zinc/31/98/18/306319818.db2.gz WDOKKEAQVVRKKK-AWEZNQCLSA-N 1 0 327.406 1.517 20 5 EDBDRO O=[N+]([O-])c1cnc(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c(F)c1 ZINC000413055040 304053135 /nfs/dbraw/zinc/05/31/35/304053135.db2.gz SGHIYUVYRVZWLR-HNNXBMFYSA-N 1 0 346.362 1.960 20 5 EDBDRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000184827407 235503623 /nfs/dbraw/zinc/50/36/23/235503623.db2.gz MPHBBLBABFIJMG-STQMWFEESA-N 1 0 345.359 1.779 20 5 EDBDRO COc1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000069902223 138201999 /nfs/dbraw/zinc/20/19/99/138201999.db2.gz KDZCCANXQVSQTD-UHFFFAOYSA-N 1 0 343.405 1.368 20 5 EDBDRO Cc1nn(C)c(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000132933834 138385512 /nfs/dbraw/zinc/38/55/12/138385512.db2.gz IYEUYHHITSGHMP-UONOGXRCSA-N 1 0 337.424 1.817 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000186683435 235981625 /nfs/dbraw/zinc/98/16/25/235981625.db2.gz QFVFRBCUDXFCRJ-WFASDCNBSA-N 1 0 332.404 1.923 20 5 EDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC000564216421 306357309 /nfs/dbraw/zinc/35/73/09/306357309.db2.gz UWXOROBQDNRGMP-PBHICJAKSA-N 1 0 347.415 1.904 20 5 EDBDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413833254 304079435 /nfs/dbraw/zinc/07/94/35/304079435.db2.gz KGNAUYMLKBCDJF-VJUNAUMWSA-N 1 0 347.415 1.612 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000564838437 306366376 /nfs/dbraw/zinc/36/63/76/306366376.db2.gz SZDGPGPYYUWKRT-OLZOCXBDSA-N 1 0 348.403 1.241 20 5 EDBDRO COc1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000129479084 223060094 /nfs/dbraw/zinc/06/00/94/223060094.db2.gz DTHXPYMYPBQNDW-HNNXBMFYSA-N 1 0 335.404 1.758 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000367067658 283573945 /nfs/dbraw/zinc/57/39/45/283573945.db2.gz OEXZSGIUVZMKNP-QWRGUYRKSA-N 1 0 331.369 1.224 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000129946502 223106652 /nfs/dbraw/zinc/10/66/52/223106652.db2.gz ARGZLNNXLGAISV-BLLLJJGKSA-N 1 0 338.408 1.576 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000129946320 223106845 /nfs/dbraw/zinc/10/68/45/223106845.db2.gz ARGZLNNXLGAISV-MLGOLLRUSA-N 1 0 338.408 1.576 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H]1CO ZINC000190446668 138891276 /nfs/dbraw/zinc/89/12/76/138891276.db2.gz SSTVLNOKBLLKJA-SMDDNHRTSA-N 1 0 337.376 1.635 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000237205286 139044141 /nfs/dbraw/zinc/04/41/41/139044141.db2.gz SHPPFXICDSVRST-MNOVXSKESA-N 1 0 343.405 1.351 20 5 EDBDRO Cc1c(C(=O)NC[C@H]2CC[N@@H+](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000110652113 220052391 /nfs/dbraw/zinc/05/23/91/220052391.db2.gz IYBYMGFOOGMYEH-GFCCVEGCSA-N 1 0 344.375 1.165 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000110797557 220067520 /nfs/dbraw/zinc/06/75/20/220067520.db2.gz DPOSWOBIOYYOPB-SECBINFHSA-N 1 0 333.797 1.526 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000237550274 139053867 /nfs/dbraw/zinc/05/38/67/139053867.db2.gz FKJODOQFEGPHQK-RISCZKNCSA-N 1 0 334.376 1.053 20 5 EDBDRO Cc1c(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000237833546 139061515 /nfs/dbraw/zinc/06/15/15/139061515.db2.gz LBBGCQIGDYFWOF-CMPLNLGQSA-N 1 0 336.348 1.977 20 5 EDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000245381210 139071226 /nfs/dbraw/zinc/07/12/26/139071226.db2.gz AWSSRHIXFIAZCW-RYUDHWBXSA-N 1 0 342.421 1.161 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000415283177 304184724 /nfs/dbraw/zinc/18/47/24/304184724.db2.gz SBBXKITUFMWJJK-UHFFFAOYSA-N 1 0 334.376 1.620 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C[C@H]12 ZINC000248666344 139170821 /nfs/dbraw/zinc/17/08/21/139170821.db2.gz WPNFVGLUUYDEQH-PTOFAABTSA-N 1 0 345.808 1.606 20 5 EDBDRO Cc1ccc(CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000093821046 218252065 /nfs/dbraw/zinc/25/20/65/218252065.db2.gz GAFMRZSEOZAVMW-INIZCTEOSA-N 1 0 346.431 1.642 20 5 EDBDRO NC(=O)c1ccc(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000261629659 139212714 /nfs/dbraw/zinc/21/27/14/139212714.db2.gz DUNRPZUWNNADLR-JKSUJKDBSA-N 1 0 340.383 1.620 20 5 EDBDRO O=C(NCc1ccccc1[N+](=O)[O-])C1(n2cccn2)CC[NH2+]CC1 ZINC000261852084 139231442 /nfs/dbraw/zinc/23/14/42/139231442.db2.gz BFYWARIMMINIIR-UHFFFAOYSA-N 1 0 329.360 1.186 20 5 EDBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261854548 139231611 /nfs/dbraw/zinc/23/16/11/139231611.db2.gz JTLGWKJPLBRSCR-GFCCVEGCSA-N 1 0 338.795 1.368 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)c1C ZINC000261879233 139233508 /nfs/dbraw/zinc/23/35/08/139233508.db2.gz MGWVVDLQRDBRAF-HNNXBMFYSA-N 1 0 341.433 1.880 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000262009122 139243483 /nfs/dbraw/zinc/24/34/83/139243483.db2.gz WFBCNROGEJZOSV-SNVBAGLBSA-N 1 0 329.378 1.024 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000415571646 304228387 /nfs/dbraw/zinc/22/83/87/304228387.db2.gz MWASJJVGJOFONF-PWSUYJOCSA-N 1 0 334.376 1.291 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000417174287 251145011 /nfs/dbraw/zinc/14/50/11/251145011.db2.gz HYBJSCQMOIEBKA-LEWSCRJBSA-N 1 0 334.376 1.482 20 5 EDBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC1CC[NH2+]CC1 ZINC000262522329 139284108 /nfs/dbraw/zinc/28/41/08/139284108.db2.gz XZWUTRXFSKEPGN-UHFFFAOYSA-N 1 0 327.768 1.885 20 5 EDBDRO CC[C@@H](NC(=O)NC[C@H]1C[NH2+]CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000417849203 251296858 /nfs/dbraw/zinc/29/68/58/251296858.db2.gz LIVMAWAHJNTAAC-HUUCEWRRSA-N 1 0 336.392 1.724 20 5 EDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] ZINC000262496351 139282460 /nfs/dbraw/zinc/28/24/60/139282460.db2.gz WREUUEPOFLMKMF-SNVBAGLBSA-N 1 0 325.365 1.730 20 5 EDBDRO CNC(=O)c1ccc(N(CC[NH3+])CCc2ccccc2)c([N+](=O)[O-])c1 ZINC000420236126 251653186 /nfs/dbraw/zinc/65/31/86/251653186.db2.gz FXGGONKPEZHTJA-UHFFFAOYSA-N 1 0 342.399 1.962 20 5 EDBDRO O=c1c(Cl)c(N[C@H]2CC[NH2+]C2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000420155625 251621832 /nfs/dbraw/zinc/62/18/32/251621832.db2.gz UNRRMZSIBGSYDW-VIFPVBQESA-N 1 0 335.751 1.568 20 5 EDBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@@H]1C[NH2+]CCN1C ZINC000420263059 251663123 /nfs/dbraw/zinc/66/31/23/251663123.db2.gz BKJANHAPCCULJW-NSHDSACASA-N 1 0 340.355 1.226 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000415588305 304233792 /nfs/dbraw/zinc/23/37/92/304233792.db2.gz XPWNCMYITRYOFG-XQQFMLRXSA-N 1 0 346.387 1.428 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC2CC[NH2+]CC2)c1 ZINC000262796648 139304254 /nfs/dbraw/zinc/30/42/54/139304254.db2.gz UFFQSPSBPLJPIM-UHFFFAOYSA-N 1 0 333.797 1.587 20 5 EDBDRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)c2[nH]ncc2[N+](=O)[O-])cc1 ZINC000423514458 252057550 /nfs/dbraw/zinc/05/75/50/252057550.db2.gz SGCPAGARVYWCEQ-QWHCGFSZSA-N 1 0 345.359 1.202 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000423995348 252111176 /nfs/dbraw/zinc/11/11/76/252111176.db2.gz JIZBNXSAHXAKHG-OAHLLOKOSA-N 1 0 343.387 1.663 20 5 EDBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000424005431 252112153 /nfs/dbraw/zinc/11/21/53/252112153.db2.gz RWAYJKBZCKOQGP-WMZOPIPTSA-N 1 0 347.415 1.882 20 5 EDBDRO Cc1c(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)cccc1[N+](=O)[O-] ZINC000423808322 252084981 /nfs/dbraw/zinc/08/49/81/252084981.db2.gz KROFXCDNDZBFQY-ZDUSSCGKSA-N 1 0 344.375 1.177 20 5 EDBDRO O=[N+]([O-])c1cncc(Br)c1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261591821 285187174 /nfs/dbraw/zinc/18/71/74/285187174.db2.gz MBYNOKMZHWJFRR-SCZZXKLOSA-N 1 0 327.182 1.941 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000162674757 533137786 /nfs/dbraw/zinc/13/77/86/533137786.db2.gz MDMJZERKFMDGED-NWDGAFQWSA-N 1 0 337.376 1.947 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415769503 304267319 /nfs/dbraw/zinc/26/73/19/304267319.db2.gz PPLMBELYQCJOAO-STQMWFEESA-N 1 0 346.387 1.361 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000154345129 224240901 /nfs/dbraw/zinc/24/09/01/224240901.db2.gz IJGHFARMSDAQLL-CQSZACIVSA-N 1 0 325.390 1.277 20 5 EDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000493492530 255211881 /nfs/dbraw/zinc/21/18/81/255211881.db2.gz SJVFNGYXEGXTBT-FUTAKVPZSA-N 1 0 331.372 1.181 20 5 EDBDRO Cn1cc([C@@H]2CN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000493828050 255223364 /nfs/dbraw/zinc/22/33/64/255223364.db2.gz UGYGDWZXIYWGLI-MFHOCJEASA-N 1 0 341.371 1.295 20 5 EDBDRO CN(CCC[N@H+](C)CCn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000496331787 255382276 /nfs/dbraw/zinc/38/22/76/255382276.db2.gz SGNRSFZRBCATRA-UHFFFAOYSA-N 1 0 341.412 1.980 20 5 EDBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000117232303 221038601 /nfs/dbraw/zinc/03/86/01/221038601.db2.gz RUNBNRCFJRGMMN-UHFFFAOYSA-N 1 0 332.360 1.506 20 5 EDBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000177999974 533398285 /nfs/dbraw/zinc/39/82/85/533398285.db2.gz QQFMMWLQWPRANG-LLVKDONJSA-N 1 0 327.406 1.651 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)c1C ZINC000262790504 291994497 /nfs/dbraw/zinc/99/44/97/291994497.db2.gz RNOSVNKVPFWSAX-VXGBXAGGSA-N 1 0 327.406 1.583 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000261980979 291997636 /nfs/dbraw/zinc/99/76/36/291997636.db2.gz RJQWTMMTWLIKNV-NEPJUHHUSA-N 1 0 327.406 1.570 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000450796524 292017910 /nfs/dbraw/zinc/01/79/10/292017910.db2.gz QWNJBDYACUDCLZ-TXEJJXNPSA-N 1 0 337.376 1.273 20 5 EDBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000271304485 140274547 /nfs/dbraw/zinc/27/45/47/140274547.db2.gz LBYHZESIESNFQZ-OAHLLOKOSA-N 1 0 343.387 1.895 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000572158572 306582414 /nfs/dbraw/zinc/58/24/14/306582414.db2.gz ZYXOROSAGPTMSN-JOCQHMNTSA-N 1 0 341.433 1.947 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(CCOc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000339393594 142035418 /nfs/dbraw/zinc/03/54/18/142035418.db2.gz KLWPYFRUMTVENE-RDJZCZTQSA-N 1 0 335.404 1.769 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000339668087 142113444 /nfs/dbraw/zinc/11/34/44/142113444.db2.gz ZZOADDZZHRXOBT-KBPBESRZSA-N 1 0 347.371 1.738 20 5 EDBDRO O=C(C[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000339762134 142148262 /nfs/dbraw/zinc/14/82/62/142148262.db2.gz JGKJWOQLTBBVAG-IRXDYDNUSA-N 1 0 349.387 1.443 20 5 EDBDRO NS(=O)(=O)c1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000339952925 142211200 /nfs/dbraw/zinc/21/12/00/142211200.db2.gz LKJWZSKQMATXDY-CMPLNLGQSA-N 1 0 340.405 1.281 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cnccn1 ZINC000341871425 142660009 /nfs/dbraw/zinc/66/00/09/142660009.db2.gz FRCCIAFCEOKVAL-GFCCVEGCSA-N 1 0 329.360 1.934 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000345321712 143077696 /nfs/dbraw/zinc/07/76/96/143077696.db2.gz OKZQRKNLCLBOJJ-JSGCOSHPSA-N 1 0 348.403 1.232 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+](C)CCN(C)C ZINC000345400362 143086711 /nfs/dbraw/zinc/08/67/11/143086711.db2.gz JVXXVTGMCOMEGG-UHFFFAOYSA-N 1 0 338.408 1.217 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)[C@H](C(N)=O)C1 ZINC000346660572 143227989 /nfs/dbraw/zinc/22/79/89/143227989.db2.gz MJWVSZISWTXFPN-WCQYABFASA-N 1 0 334.376 1.285 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3[C@H](CO)CC[C@H]3CO)o2)c1 ZINC000347283456 143303686 /nfs/dbraw/zinc/30/36/86/143303686.db2.gz BUOWKVRROXIDOL-GJZGRUSLSA-N 1 0 347.371 1.610 20 5 EDBDRO CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347462508 143324597 /nfs/dbraw/zinc/32/45/97/143324597.db2.gz MZVNXDKELUTANE-CQSZACIVSA-N 1 0 343.387 1.675 20 5 EDBDRO Cc1nn(Cc2ccc(C(=O)N[C@@H](C)C[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000347652653 143345663 /nfs/dbraw/zinc/34/56/63/143345663.db2.gz KCSRIIUGKPFIML-JTQLQIEISA-N 1 0 331.376 1.533 20 5 EDBDRO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1nnc2ccccn21 ZINC000347678087 143348678 /nfs/dbraw/zinc/34/86/78/143348678.db2.gz SFSUFYCSMVNNEO-AWEZNQCLSA-N 1 0 329.364 1.821 20 5 EDBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)CCn3cc([N+](=O)[O-])cn3)cc2C1 ZINC000349006286 143473269 /nfs/dbraw/zinc/47/32/69/143473269.db2.gz UBMLBVBTCAYHPP-LLVKDONJSA-N 1 0 330.348 1.031 20 5 EDBDRO O=C(CC[NH2+]CCCO[C@@H]1CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000573199201 306614803 /nfs/dbraw/zinc/61/48/03/306614803.db2.gz OLGLTHOJKCESCK-CYBMUJFWSA-N 1 0 337.376 1.709 20 5 EDBDRO C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000369880422 155216469 /nfs/dbraw/zinc/21/64/69/155216469.db2.gz ALXWUOXTRVJQCD-NVXWUHKLSA-N 1 0 348.447 1.652 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CSC[C@@H]1C ZINC000352818010 149180118 /nfs/dbraw/zinc/18/01/18/149180118.db2.gz SGYZNHTWUCNXNF-JOYOIKCWSA-N 1 0 325.390 1.883 20 5 EDBDRO C[C@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000352996419 149245423 /nfs/dbraw/zinc/24/54/23/149245423.db2.gz GZNAHKUZIMNNID-LRDDRELGSA-N 1 0 348.403 1.375 20 5 EDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCC[C@H]2n2cc(CO)nn2)c1 ZINC000353224440 149330401 /nfs/dbraw/zinc/33/04/01/149330401.db2.gz LMIXYKQNHQMLNV-HZPDHXFCSA-N 1 0 331.376 1.952 20 5 EDBDRO COc1cc[nH+]c(N2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)c1 ZINC000354967912 150058566 /nfs/dbraw/zinc/05/85/66/150058566.db2.gz BLBLTLSSFQWDRY-UHFFFAOYSA-N 1 0 331.332 1.289 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])[C@@H]2C1 ZINC000355328889 150220236 /nfs/dbraw/zinc/22/02/36/150220236.db2.gz YUNBBVJJVPSVGD-OCCSQVGLSA-N 1 0 335.360 1.236 20 5 EDBDRO C[C@@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000356046187 150486352 /nfs/dbraw/zinc/48/63/52/150486352.db2.gz MKXWPVFHMITJBH-BZNIZROVSA-N 1 0 346.387 1.603 20 5 EDBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000357361260 151007400 /nfs/dbraw/zinc/00/74/00/151007400.db2.gz FJRRWWLRNVGSAT-GFCCVEGCSA-N 1 0 344.375 1.519 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1C ZINC000357412757 151024604 /nfs/dbraw/zinc/02/46/04/151024604.db2.gz BFIAIFPCYKVGOW-QWHCGFSZSA-N 1 0 343.387 1.993 20 5 EDBDRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000358312529 151333592 /nfs/dbraw/zinc/33/35/92/151333592.db2.gz RERISFOMQFWUPX-UHFFFAOYSA-N 1 0 345.359 1.299 20 5 EDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360560895 152096016 /nfs/dbraw/zinc/09/60/16/152096016.db2.gz HEFJTHUQCZMAKE-AWEZNQCLSA-N 1 0 325.390 1.110 20 5 EDBDRO Cc1c([C@@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cnn1C ZINC000360847046 152228444 /nfs/dbraw/zinc/22/84/44/152228444.db2.gz GPJSSPLHTOOWKF-HIFRSBDPSA-N 1 0 334.380 1.031 20 5 EDBDRO COc1cc(OCC(=O)N[C@H]2C[C@@H]2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000361078129 152296672 /nfs/dbraw/zinc/29/66/72/152296672.db2.gz GENZZMZNVUFFAS-KGLIPLIRSA-N 1 0 349.387 1.487 20 5 EDBDRO C[C@H]1C[C@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000361084868 152298606 /nfs/dbraw/zinc/29/86/06/152298606.db2.gz RUJCTCCIZJXHAA-VHSXEESVSA-N 1 0 328.394 1.137 20 5 EDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCCc2nc[nH]c21 ZINC000370139555 155345023 /nfs/dbraw/zinc/34/50/23/155345023.db2.gz GBCYISBPXBDBIQ-LLVKDONJSA-N 1 0 329.360 1.966 20 5 EDBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3nn(C)cc3[N+](=O)[O-])C2)CC1 ZINC000363947006 153105408 /nfs/dbraw/zinc/10/54/08/153105408.db2.gz HGIYPWVQAZPYNF-AWEZNQCLSA-N 1 0 349.435 1.912 20 5 EDBDRO C[N@H+](CCNC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000364376084 153220954 /nfs/dbraw/zinc/22/09/54/153220954.db2.gz COIPSNPHJIBDNI-CYBMUJFWSA-N 1 0 336.396 1.232 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000417202392 304384427 /nfs/dbraw/zinc/38/44/27/304384427.db2.gz XNZLPDNLUAJXGB-QWHCGFSZSA-N 1 0 334.376 1.354 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000367581675 154186036 /nfs/dbraw/zinc/18/60/36/154186036.db2.gz FCXCIKBCYWMUQQ-OCCSQVGLSA-N 1 0 339.417 1.618 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](CC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000367981975 154353458 /nfs/dbraw/zinc/35/34/58/154353458.db2.gz GOBMRBRDNLNWKJ-GFCCVEGCSA-N 1 0 334.376 1.429 20 5 EDBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368369626 154527892 /nfs/dbraw/zinc/52/78/92/154527892.db2.gz KAWQGBGRPLHZAF-XHDPSFHLSA-N 1 0 327.344 1.214 20 5 EDBDRO NC(=O)c1ccc(NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000368998043 154818078 /nfs/dbraw/zinc/81/80/78/154818078.db2.gz CXCPFSGTOKFDHS-DZGCQCFKSA-N 1 0 348.403 1.607 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000369096109 154869456 /nfs/dbraw/zinc/86/94/56/154869456.db2.gz GWKHJYLNLMYJKO-CQSZACIVSA-N 1 0 335.408 1.658 20 5 EDBDRO Cn1ccnc(N2CCC([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)c1=O ZINC000369504536 155062394 /nfs/dbraw/zinc/06/23/94/155062394.db2.gz UQEGYGPMJDQIMD-UHFFFAOYSA-N 1 0 343.387 1.447 20 5 EDBDRO O=C(N[C@H]1CC[NH2+]C1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000372023145 156214216 /nfs/dbraw/zinc/21/42/16/156214216.db2.gz HYFBLLUVFPBQAJ-JLJPHGGASA-N 1 0 344.415 1.604 20 5 EDBDRO Cc1cncn1C1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000372267352 156295957 /nfs/dbraw/zinc/29/59/57/156295957.db2.gz KMVRPSPLNBJJPC-UHFFFAOYSA-N 1 0 345.359 1.125 20 5 EDBDRO Nc1ccc([N+](=O)[O-])c(NC2CC[NH+](CC(=O)N3CCCC3)CC2)c1 ZINC000373871031 157042428 /nfs/dbraw/zinc/04/24/28/157042428.db2.gz CGUOZZMVEJQFIW-UHFFFAOYSA-N 1 0 347.419 1.676 20 5 EDBDRO COc1cc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c([N+](=O)[O-])cc1O ZINC000374272847 157223082 /nfs/dbraw/zinc/22/30/82/157223082.db2.gz RMJBPQJHYKDIIX-BLLLJJGKSA-N 1 0 338.360 1.737 20 5 EDBDRO CCOc1ccc(C(=O)N2C[C@@H](F)C[C@H]2C[NH2+]C)cc1[N+](=O)[O-] ZINC000375069646 157486958 /nfs/dbraw/zinc/48/69/58/157486958.db2.gz BYPCBYCISJXSKN-RYUDHWBXSA-N 1 0 325.340 1.766 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000407974809 158231681 /nfs/dbraw/zinc/23/16/81/158231681.db2.gz VFGNBPVVDJLWFQ-QWHCGFSZSA-N 1 0 339.417 1.808 20 5 EDBDRO CC(C)[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nncn1C ZINC000352467662 162197825 /nfs/dbraw/zinc/19/78/25/162197825.db2.gz MFVLPBGTIOCRMQ-DZGCQCFKSA-N 1 0 349.391 1.450 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000360667712 162296849 /nfs/dbraw/zinc/29/68/49/162296849.db2.gz ZLBGYRJRYXETHN-RYUDHWBXSA-N 1 0 327.406 1.664 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000364952828 162345740 /nfs/dbraw/zinc/34/57/40/162345740.db2.gz JVINOHFWBDQJFO-ZDUSSCGKSA-N 1 0 336.392 1.824 20 5 EDBDRO O=C(NCCC1=CC[NH2+]CC1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418083277 304455794 /nfs/dbraw/zinc/45/57/94/304455794.db2.gz LBWQMEOLGKYNNP-UHFFFAOYSA-N 1 0 344.375 1.580 20 5 EDBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418092130 304457392 /nfs/dbraw/zinc/45/73/92/304457392.db2.gz QSONIRIEFIUTJF-GDNZZTSVSA-N 1 0 344.293 1.631 20 5 EDBDRO [NH3+]C1(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCCC1 ZINC000169191826 226235568 /nfs/dbraw/zinc/23/55/68/226235568.db2.gz RZPVHYHYXLTCOJ-GFCCVEGCSA-N 1 0 333.392 1.664 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)c1C ZINC000123398916 222270137 /nfs/dbraw/zinc/27/01/37/222270137.db2.gz OFQRWNUFIGFURJ-GFCCVEGCSA-N 1 0 327.406 1.490 20 5 EDBDRO C[NH2+]C[C@H](C)CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418396146 304490738 /nfs/dbraw/zinc/49/07/38/304490738.db2.gz SWOGTAPPZUANAX-ZDUSSCGKSA-N 1 0 335.408 1.282 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000194322717 273002434 /nfs/dbraw/zinc/00/24/34/273002434.db2.gz HHLDJFDPVJUXNS-CQSZACIVSA-N 1 0 335.339 1.350 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1C ZINC000262752842 273017845 /nfs/dbraw/zinc/01/78/45/273017845.db2.gz GUTBZVORZVFKLI-JQWIXIFHSA-N 1 0 327.406 1.488 20 5 EDBDRO COc1cc(OCC(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000237225315 267926567 /nfs/dbraw/zinc/92/65/67/267926567.db2.gz ILTZIMMXEAHTMS-BXUZGUMPSA-N 1 0 337.376 1.568 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000274057487 268103187 /nfs/dbraw/zinc/10/31/87/268103187.db2.gz ZOUAFOJSSWJHBK-WFASDCNBSA-N 1 0 341.433 1.946 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@]1(O)CCO[C@H]1C ZINC000278851549 268749607 /nfs/dbraw/zinc/74/96/07/268749607.db2.gz QJAQQYLQGNKOLT-BFQNTYOBSA-N 1 0 337.376 1.441 20 5 EDBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1[NH+]1CCCC1 ZINC000273456331 273041025 /nfs/dbraw/zinc/04/10/25/273041025.db2.gz DPMUEGCRFOFKKJ-JQWIXIFHSA-N 1 0 325.390 1.840 20 5 EDBDRO CN(CC(=O)N1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000277262134 273184487 /nfs/dbraw/zinc/18/44/87/273184487.db2.gz LORQXPQIIAMEFT-CQSZACIVSA-N 1 0 334.420 1.974 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000277345058 273190631 /nfs/dbraw/zinc/19/06/31/273190631.db2.gz WIYJEERHDFMZLU-HOCLYGCPSA-N 1 0 337.420 1.751 20 5 EDBDRO CC[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C[C@H](C)O ZINC000277903277 273233195 /nfs/dbraw/zinc/23/31/95/273233195.db2.gz RMDSUTXWKJWQOQ-NWDGAFQWSA-N 1 0 333.392 1.753 20 5 EDBDRO CN(C)C(=O)CC[NH+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278415469 273263335 /nfs/dbraw/zinc/26/33/35/273263335.db2.gz ODUDKFFJCBQDQD-UHFFFAOYSA-N 1 0 347.419 1.163 20 5 EDBDRO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000278956704 273276150 /nfs/dbraw/zinc/27/61/50/273276150.db2.gz HQCGFIMFGFLCOA-JTQLQIEISA-N 1 0 327.344 1.598 20 5 EDBDRO O=Cc1ccc(OCC(=O)NCC[N@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000280193332 273350261 /nfs/dbraw/zinc/35/02/61/273350261.db2.gz JGULUYYYXFZHIX-UHFFFAOYSA-N 1 0 333.344 1.164 20 5 EDBDRO CO[C@@H]1C[C@H](CN(C)c2ncnc3cccc([N+](=O)[O-])c32)[N@H+](C)C1 ZINC000343884094 274071474 /nfs/dbraw/zinc/07/14/74/274071474.db2.gz CGFMRCMBZMUAPB-VXGBXAGGSA-N 1 0 331.376 1.693 20 5 EDBDRO CN1CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000284254964 274134805 /nfs/dbraw/zinc/13/48/05/274134805.db2.gz LSRNCNQBYATIOD-YESZJQIVSA-N 1 0 345.403 1.187 20 5 EDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000284491319 274221448 /nfs/dbraw/zinc/22/14/48/274221448.db2.gz GJQXLZVEQLOIDD-XJKSGUPXSA-N 1 0 331.376 1.774 20 5 EDBDRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000097092983 274285934 /nfs/dbraw/zinc/28/59/34/274285934.db2.gz WJBIXBBDGPIIND-CYBMUJFWSA-N 1 0 341.433 1.889 20 5 EDBDRO Cc1cc(N2CCC[C@](O)(C(N)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000284715635 274305474 /nfs/dbraw/zinc/30/54/74/274305474.db2.gz ULYJTQXTPHEBIY-MRXNPFEDSA-N 1 0 330.344 1.268 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000284734247 274312546 /nfs/dbraw/zinc/31/25/46/274312546.db2.gz KMFPKJCRUHEERC-PVAVHDDUSA-N 1 0 336.388 1.978 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(c3c(Br)cncc3[N+](=O)[O-])C[C@@H]12 ZINC000261583233 274959636 /nfs/dbraw/zinc/95/96/36/274959636.db2.gz HCQWMWBKJJVEJS-QXFUBDJGSA-N 1 0 327.182 1.926 20 5 EDBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262093330 275011605 /nfs/dbraw/zinc/01/16/05/275011605.db2.gz SAWBMVSQAIZUFV-CQSZACIVSA-N 1 0 344.371 1.461 20 5 EDBDRO O=[N+]([O-])c1ccc(Br)cc1N1CCC[N@@H+](CCO)CC1 ZINC000087835089 275035100 /nfs/dbraw/zinc/03/51/00/275035100.db2.gz YIIGFEUYZDTION-UHFFFAOYSA-N 1 0 344.209 1.862 20 5 EDBDRO CC1(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC000420233734 275897931 /nfs/dbraw/zinc/89/79/31/275897931.db2.gz WOIVPDHGONEEQG-UHFFFAOYSA-N 1 0 328.394 1.044 20 5 EDBDRO CC[NH+](CC)CC(=O)N1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000178211338 276093713 /nfs/dbraw/zinc/09/37/13/276093713.db2.gz ITBXBPKGRVFFEL-UHFFFAOYSA-N 1 0 335.408 1.289 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C1CC1 ZINC000077389275 276131107 /nfs/dbraw/zinc/13/11/07/276131107.db2.gz FTGMUFUPDNQEMO-UHFFFAOYSA-N 1 0 341.433 1.974 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000106483133 277255935 /nfs/dbraw/zinc/25/59/35/277255935.db2.gz WXCQZYWNYNXGPK-LBPRGKRZSA-N 1 0 335.408 1.002 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000286548138 288032132 /nfs/dbraw/zinc/03/21/32/288032132.db2.gz USPFIVTZOIYAEI-MNOVXSKESA-N 1 0 329.347 1.760 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420188679 278313304 /nfs/dbraw/zinc/31/33/04/278313304.db2.gz OMBQBZSALJNZOQ-GDBMZVCRSA-N 1 0 348.447 1.991 20 5 EDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C(N)=O)[C@@H](c2cnn(C)c2)C1 ZINC000346921081 278313413 /nfs/dbraw/zinc/31/34/13/278313413.db2.gz JZFRTVSWBSNDQD-KCPJHIHWSA-N 1 0 343.387 1.590 20 5 EDBDRO C[C@@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000261980412 278484226 /nfs/dbraw/zinc/48/42/26/278484226.db2.gz AHOSDKGUNVMEGU-SKDRFNHKSA-N 1 0 331.369 1.482 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000261949550 278866398 /nfs/dbraw/zinc/86/63/98/278866398.db2.gz MSKMNIGQTMKMIE-ZWNOBZJWSA-N 1 0 327.406 1.651 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@H](C)C1 ZINC000286789982 288088203 /nfs/dbraw/zinc/08/82/03/288088203.db2.gz JQXOKSDTOQKOGZ-MNOVXSKESA-N 1 0 347.375 1.135 20 5 EDBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000286843110 288102315 /nfs/dbraw/zinc/10/23/15/288102315.db2.gz YJEHJVJNVPQPNG-UHFFFAOYSA-N 1 0 349.391 1.755 20 5 EDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000449186381 279382097 /nfs/dbraw/zinc/38/20/97/279382097.db2.gz OYBLXXNMKRDPGV-GFCCVEGCSA-N 1 0 326.418 1.940 20 5 EDBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000262171653 279628635 /nfs/dbraw/zinc/62/86/35/279628635.db2.gz HVFOCIKHDVEADG-GFCCVEGCSA-N 1 0 343.387 1.434 20 5 EDBDRO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000362564437 280167430 /nfs/dbraw/zinc/16/74/30/280167430.db2.gz KSZVFCBFFGDBIZ-NSHDSACASA-N 1 0 327.344 1.598 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000262403212 280259634 /nfs/dbraw/zinc/25/96/34/280259634.db2.gz CMFOVPYJOMIQRR-PWSUYJOCSA-N 1 0 327.406 1.651 20 5 EDBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261765907 280355352 /nfs/dbraw/zinc/35/53/52/280355352.db2.gz WHPHJKSMBOYUJC-CYBMUJFWSA-N 1 0 327.388 1.627 20 5 EDBDRO Cn1cc(C[N@@H+]2CCCN(c3ccc(N)cc3[N+](=O)[O-])CC2)cn1 ZINC000287423793 288234927 /nfs/dbraw/zinc/23/49/27/288234927.db2.gz QJQKZPDNXXSDIP-UHFFFAOYSA-N 1 0 330.392 1.623 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262266682 281259083 /nfs/dbraw/zinc/25/90/83/281259083.db2.gz RYKCSBJSDKECID-CABCVRRESA-N 1 0 346.431 1.988 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000450894200 281259794 /nfs/dbraw/zinc/25/97/94/281259794.db2.gz ULPDWYJJPZFDIK-CQSZACIVSA-N 1 0 332.404 1.694 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000262748810 288324870 /nfs/dbraw/zinc/32/48/70/288324870.db2.gz FPEJTCGBQJYHEG-PSASIEDQSA-N 1 0 333.797 1.525 20 5 EDBDRO Cc1cnc(N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC000262175763 281602009 /nfs/dbraw/zinc/60/20/09/281602009.db2.gz IFTLDEYSKSYXHC-ZIAGYGMSSA-N 1 0 347.419 1.383 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000290686327 288936620 /nfs/dbraw/zinc/93/66/20/288936620.db2.gz FAHBRVHEYGKTRP-AWEZNQCLSA-N 1 0 348.403 1.648 20 5 EDBDRO C[NH+](C)C(C)(C)CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272969905 289035792 /nfs/dbraw/zinc/03/57/92/289035792.db2.gz IZCLJEOZSOISLH-CQSZACIVSA-N 1 0 334.376 1.544 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291679403 289148499 /nfs/dbraw/zinc/14/84/99/289148499.db2.gz FAKUWCFMBJZAHI-UHFFFAOYSA-N 1 0 338.408 1.707 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](CS(C)(=O)=O)C1 ZINC000292380518 289330280 /nfs/dbraw/zinc/33/02/80/289330280.db2.gz XKYHDFDLJJXHSF-GFCCVEGCSA-N 1 0 342.417 1.860 20 5 EDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000216056502 297250309 /nfs/dbraw/zinc/25/03/09/297250309.db2.gz QEDMMFWXEXDAGD-BDAKNGLRSA-N 1 0 333.797 1.606 20 5 EDBDRO C[C@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420277350 304742310 /nfs/dbraw/zinc/74/23/10/304742310.db2.gz HWDTVLSMDRUTLA-IUCAKERBSA-N 1 0 333.435 1.481 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000420432489 304757659 /nfs/dbraw/zinc/75/76/59/304757659.db2.gz HFHQWDWKDRDTJL-HNNXBMFYSA-N 1 0 341.433 1.880 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420476364 304763524 /nfs/dbraw/zinc/76/35/24/304763524.db2.gz YAKXQVLRCCRCLJ-RYUDHWBXSA-N 1 0 327.406 1.699 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000361858027 303044593 /nfs/dbraw/zinc/04/45/93/303044593.db2.gz NRECMRKGMFOPMM-ZDUSSCGKSA-N 1 0 341.371 1.953 20 5 EDBDRO C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000295356403 303208547 /nfs/dbraw/zinc/20/85/47/303208547.db2.gz NQZTYZIPUKYOOM-CYBMUJFWSA-N 1 0 333.388 1.916 20 5 EDBDRO C[C@@H]1CSC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000296349960 303312403 /nfs/dbraw/zinc/31/24/03/303312403.db2.gz IYIKFXBJOVRYEC-MFKMUULPSA-N 1 0 345.446 1.214 20 5 EDBDRO Nc1nc(N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000301556461 303684077 /nfs/dbraw/zinc/68/40/77/303684077.db2.gz IVDXJKXOAMZAMC-CYBMUJFWSA-N 1 0 328.376 1.726 20 5 EDBDRO Cc1nc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301658410 303688060 /nfs/dbraw/zinc/68/80/60/303688060.db2.gz SRKWAJKFUKHVOU-UHFFFAOYSA-N 1 0 333.392 1.043 20 5 EDBDRO Cc1cc(NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000302547047 303725843 /nfs/dbraw/zinc/72/58/43/303725843.db2.gz HHGYYZBCQJVLFA-UHFFFAOYSA-N 1 0 336.373 1.689 20 5 EDBDRO COc1ccc(NC(=O)CCN2CCC3(CC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC000422638474 304875551 /nfs/dbraw/zinc/87/55/51/304875551.db2.gz QINDOKBCRGKURT-UHFFFAOYSA-N 1 0 348.403 1.760 20 5 EDBDRO C[C@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C[NH3+] ZINC000424008681 304924900 /nfs/dbraw/zinc/92/49/00/304924900.db2.gz HJXBHNGYHKAGEG-STQMWFEESA-N 1 0 343.387 1.837 20 5 EDBDRO CSC1(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000427147082 304985993 /nfs/dbraw/zinc/98/59/93/304985993.db2.gz ITVIZTHDQFDPBQ-UHFFFAOYSA-N 1 0 338.433 1.734 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000427933206 305001533 /nfs/dbraw/zinc/00/15/33/305001533.db2.gz IGAGGSQBVWFADX-NEPJUHHUSA-N 1 0 325.390 1.276 20 5 EDBDRO Cc1c(NC(=O)CCN2CC[C@@H]3[NH2+]CC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000428030307 305004308 /nfs/dbraw/zinc/00/43/08/305004308.db2.gz HRUXYNJFCJLBHA-ZFWWWQNUSA-N 1 0 332.404 1.916 20 5 EDBDRO CN1CCN(C(=O)CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429236179 305026202 /nfs/dbraw/zinc/02/62/02/305026202.db2.gz LKNPRRVJHLHJHZ-UHFFFAOYSA-N 1 0 334.420 1.584 20 5 EDBDRO CCS(=O)(=O)NCCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429249015 305026695 /nfs/dbraw/zinc/02/66/95/305026695.db2.gz PSVIZBYIJUSOLR-UHFFFAOYSA-N 1 0 329.422 1.749 20 5 EDBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1 ZINC000429480614 305030699 /nfs/dbraw/zinc/03/06/99/305030699.db2.gz JHSUGFASRVJGGY-LLVKDONJSA-N 1 0 331.376 1.863 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000430938014 305069357 /nfs/dbraw/zinc/06/93/57/305069357.db2.gz GLTCGUPFRZNKKC-GRYCIOLGSA-N 1 0 336.392 1.613 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@]1(O)CCO[C@H]1C ZINC000432993812 305098891 /nfs/dbraw/zinc/09/88/91/305098891.db2.gz DQSOFXLXUSBKIF-WQGACYEGSA-N 1 0 337.376 1.441 20 5 EDBDRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 ZINC000434447232 305122744 /nfs/dbraw/zinc/12/27/44/305122744.db2.gz YNSUQUIZTFHQHC-UHFFFAOYSA-N 1 0 349.435 1.554 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435234698 305137504 /nfs/dbraw/zinc/13/75/04/305137504.db2.gz JJPVOQXJGWQPDH-ABAIWWIYSA-N 1 0 346.387 1.066 20 5 EDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000436482616 305158582 /nfs/dbraw/zinc/15/85/82/305158582.db2.gz IKGFUEPDCDPAEX-HOCLYGCPSA-N 1 0 337.420 1.607 20 5 EDBDRO O=C(NCC[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000448605319 305299350 /nfs/dbraw/zinc/29/93/50/305299350.db2.gz KZOGGXKBQTVZQQ-UHFFFAOYSA-N 1 0 339.417 1.505 20 5 EDBDRO COc1cc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc([N+](=O)[O-])c1OC ZINC000449729816 305318158 /nfs/dbraw/zinc/31/81/58/305318158.db2.gz BPZPDWIPMHGSRM-GXFFZTMASA-N 1 0 335.360 1.436 20 5 EDBDRO O=[N+]([O-])c1c(NC[C@@H]2CCCC[N@H+]2CCO)nc2sccn21 ZINC000450610155 305330795 /nfs/dbraw/zinc/33/07/95/305330795.db2.gz GPPDMNWOXVZDJS-JTQLQIEISA-N 1 0 325.394 1.563 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000451637633 305358212 /nfs/dbraw/zinc/35/82/12/305358212.db2.gz XWRSXODTBJORMS-YGRLFVJLSA-N 1 0 338.795 1.823 20 5 EDBDRO CCOc1cc(CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000451668889 305360947 /nfs/dbraw/zinc/36/09/47/305360947.db2.gz XCYRIAKIZCKOTJ-OKILXGFUSA-N 1 0 337.420 1.880 20 5 EDBDRO C[C@@H]1C[N@H+](CCO)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000452132389 305384721 /nfs/dbraw/zinc/38/47/21/305384721.db2.gz QNALWPUMNFQTLL-CYBMUJFWSA-N 1 0 346.387 1.748 20 5 EDBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000456584977 305467643 /nfs/dbraw/zinc/46/76/43/305467643.db2.gz QIPAOXMGSOKDHX-HNNXBMFYSA-N 1 0 349.431 1.736 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NC(C)(C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000457225964 305484741 /nfs/dbraw/zinc/48/47/41/305484741.db2.gz SZQBAFMAPHJGIW-UHFFFAOYSA-N 1 0 337.376 1.842 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2SCCc3ccccc32)c1 ZINC000519141929 305767109 /nfs/dbraw/zinc/76/71/09/305767109.db2.gz TXFMVNHTNIQNLL-ZBFHGGJFSA-N 1 0 348.428 1.772 20 5 EDBDRO CC(C)N(CC[NH+](C)C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000532698582 305989544 /nfs/dbraw/zinc/98/95/44/305989544.db2.gz DZJDIVDUUWRXDU-UHFFFAOYSA-N 1 0 338.408 1.955 20 5 EDBDRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000534579632 306008077 /nfs/dbraw/zinc/00/80/77/306008077.db2.gz YQVIVZAOZGHPIR-CYBMUJFWSA-N 1 0 329.360 1.417 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449201107 447368364 /nfs/dbraw/zinc/36/83/64/447368364.db2.gz HZIZKGIDJVNNAF-KGLIPLIRSA-N 1 0 333.388 1.822 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000057720789 441131365 /nfs/dbraw/zinc/13/13/65/441131365.db2.gz GDUNUXWMOUDKKB-VXGBXAGGSA-N 1 0 348.403 1.312 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000015164125 441196884 /nfs/dbraw/zinc/19/68/84/441196884.db2.gz SKJLOHOXGYGVQW-JTQLQIEISA-N 1 0 328.394 1.138 20 5 EDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605259 441281125 /nfs/dbraw/zinc/28/11/25/441281125.db2.gz ZUPYFMGLDFMOKF-UHFFFAOYSA-N 1 0 332.404 1.971 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3nccs3)CCCC2)c1 ZINC000081577878 441293151 /nfs/dbraw/zinc/29/31/51/441293151.db2.gz VCGNQXWRXXPFAG-GFCCVEGCSA-N 1 0 337.405 1.668 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000048481096 441308464 /nfs/dbraw/zinc/30/84/64/441308464.db2.gz MWBQPFHAUVCXNJ-UHFFFAOYSA-N 1 0 348.403 1.483 20 5 EDBDRO O=[N+]([O-])c1ccc2oc(CN3CC[NH+](C[C@@H]4CCOC4)CC3)nc2c1 ZINC000083250094 441359800 /nfs/dbraw/zinc/35/98/00/441359800.db2.gz OEQHXLPTFWLYFN-ZDUSSCGKSA-N 1 0 346.387 1.890 20 5 EDBDRO CC1(C)C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000088139262 441494610 /nfs/dbraw/zinc/49/46/10/441494610.db2.gz KBLLQRIVPHDJIA-UHFFFAOYSA-N 1 0 333.797 1.621 20 5 EDBDRO CC(C)[N@H+](C)CCCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067136888 441609199 /nfs/dbraw/zinc/60/91/99/441609199.db2.gz AXOBFQSGGWOCPB-UHFFFAOYSA-N 1 0 346.391 1.636 20 5 EDBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C(C)C ZINC000067173266 441614660 /nfs/dbraw/zinc/61/46/60/441614660.db2.gz OQXICADRUICKEU-UHFFFAOYSA-N 1 0 337.376 1.826 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000114199990 441641866 /nfs/dbraw/zinc/64/18/66/441641866.db2.gz VRGHKZPVFJEZKO-LBPRGKRZSA-N 1 0 336.392 1.425 20 5 EDBDRO Cc1cc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000114380993 441650634 /nfs/dbraw/zinc/65/06/34/441650634.db2.gz BPEMSLMVFMHMJH-UHFFFAOYSA-N 1 0 348.447 1.907 20 5 EDBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000076776106 441684687 /nfs/dbraw/zinc/68/46/87/441684687.db2.gz PXSMTCUXJGNKTG-LLVKDONJSA-N 1 0 342.421 1.529 20 5 EDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000158223345 441707700 /nfs/dbraw/zinc/70/77/00/441707700.db2.gz VKCCPFUXYSPMCG-INIZCTEOSA-N 1 0 331.376 1.884 20 5 EDBDRO Cc1c(CC(=O)N[C@H](C)CN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000121472351 441712016 /nfs/dbraw/zinc/71/20/16/441712016.db2.gz FEKWUWGRRHZSBG-CYBMUJFWSA-N 1 0 334.420 1.198 20 5 EDBDRO Nc1nc(NCCC[N@@H+]2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000076675860 441674887 /nfs/dbraw/zinc/67/48/87/441674887.db2.gz AVTGTNYANIROCE-UHFFFAOYSA-N 1 0 328.376 1.827 20 5 EDBDRO CC[NH+]1CCC(NC(=O)Cn2cc(Cl)cc([N+](=O)[O-])c2=O)CC1 ZINC000158684420 441755577 /nfs/dbraw/zinc/75/55/77/441755577.db2.gz OSZRVAQZONVKBC-UHFFFAOYSA-N 1 0 342.783 1.010 20 5 EDBDRO COc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000068341066 441778094 /nfs/dbraw/zinc/77/80/94/441778094.db2.gz KTZJHUSEYLSPQE-LLVKDONJSA-N 1 0 337.376 1.778 20 5 EDBDRO COc1cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000068341067 441778126 /nfs/dbraw/zinc/77/81/26/441778126.db2.gz KTZJHUSEYLSPQE-NSHDSACASA-N 1 0 337.376 1.778 20 5 EDBDRO C[C@H]1C[N@@H+](C2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000173626155 441807567 /nfs/dbraw/zinc/80/75/67/441807567.db2.gz BTVRCJADGSEJKH-AWEZNQCLSA-N 1 0 347.415 1.849 20 5 EDBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000160800536 441923106 /nfs/dbraw/zinc/92/31/06/441923106.db2.gz LLIAYANMNBDJLW-BMIGLBTASA-N 1 0 337.376 1.633 20 5 EDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](C2CCOCC2)CC1 ZINC000150733712 441939667 /nfs/dbraw/zinc/93/96/67/441939667.db2.gz GVJNMIGQIBCBBI-UHFFFAOYSA-N 1 0 337.351 1.671 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000069528965 441964671 /nfs/dbraw/zinc/96/46/71/441964671.db2.gz APDZHIIYVOQFEW-CYBMUJFWSA-N 1 0 337.376 1.201 20 5 EDBDRO O=C1CC[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@H]2N1C1CC1 ZINC000125336819 442011784 /nfs/dbraw/zinc/01/17/84/442011784.db2.gz UNIAKQGQDCMDLA-IUODEOHRSA-N 1 0 333.392 1.267 20 5 EDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000175317541 442040029 /nfs/dbraw/zinc/04/00/29/442040029.db2.gz KGFLRVCISQFIKV-NSHDSACASA-N 1 0 336.348 1.883 20 5 EDBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175360577 442047906 /nfs/dbraw/zinc/04/79/06/442047906.db2.gz HZZADVRABQTFDO-UHFFFAOYSA-N 1 0 329.422 1.913 20 5 EDBDRO COC[C@@](C)(O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000069911853 442072013 /nfs/dbraw/zinc/07/20/13/442072013.db2.gz SVYDWCUQKPZKNX-INIZCTEOSA-N 1 0 334.376 1.482 20 5 EDBDRO CC(C)[NH2+]CCCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000151798685 442121683 /nfs/dbraw/zinc/12/16/83/442121683.db2.gz XVGJOMDJXMGPQE-UHFFFAOYSA-N 1 0 331.376 1.898 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126610878 442126394 /nfs/dbraw/zinc/12/63/94/442126394.db2.gz MZIXIQAVGKEUBS-CJNGLKHVSA-N 1 0 347.419 1.657 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000151851418 442129610 /nfs/dbraw/zinc/12/96/10/442129610.db2.gz KHAJFQBGDGYITK-YPMHNXCESA-N 1 0 346.387 1.583 20 5 EDBDRO COc1ccc(OCC[N@H+](C)[C@@H](C)C[S@@](C)=O)c([N+](=O)[O-])c1 ZINC000126328735 442100326 /nfs/dbraw/zinc/10/03/26/442100326.db2.gz GCFPBHVZHHBYSB-SAHAZLINSA-N 1 0 330.406 1.681 20 5 EDBDRO C[N@H+](CC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[C@H]1CCSC1 ZINC000128213386 442252469 /nfs/dbraw/zinc/25/24/69/442252469.db2.gz ZIGIQVPMXQUQAP-ZDUSSCGKSA-N 1 0 335.429 1.917 20 5 EDBDRO CC(C)(O)C[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000170686116 442248373 /nfs/dbraw/zinc/24/83/73/442248373.db2.gz XSPIVJCDCPVJLN-UHFFFAOYSA-N 1 0 325.394 1.197 20 5 EDBDRO Cc1c(C(=O)N2CC[C@@H]([NH+](C)C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000170867558 442280494 /nfs/dbraw/zinc/28/04/94/442280494.db2.gz AFRTYQLSJLLPOM-CQSZACIVSA-N 1 0 344.375 1.260 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CC(C)(C)O ZINC000177726602 442376648 /nfs/dbraw/zinc/37/66/48/442376648.db2.gz LAESCUCJXLAVFP-JTQLQIEISA-N 1 0 325.365 1.633 20 5 EDBDRO Cc1c(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000178558542 442443953 /nfs/dbraw/zinc/44/39/53/442443953.db2.gz DRXHULSKMLLWPC-MRXNPFEDSA-N 1 0 349.431 1.919 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)[C@H](C)OC ZINC000191719155 442497868 /nfs/dbraw/zinc/49/78/68/442497868.db2.gz HHKGCJQFKMNSQG-AXFHLTTASA-N 1 0 325.365 1.943 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000186704395 442595473 /nfs/dbraw/zinc/59/54/73/442595473.db2.gz WDGCZQUFTDZGIH-ABAIWWIYSA-N 1 0 329.360 1.508 20 5 EDBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(C(N)=O)CC1 ZINC000180453320 442604304 /nfs/dbraw/zinc/60/43/04/442604304.db2.gz IGBGXMAIGYGBJE-VXGBXAGGSA-N 1 0 348.403 1.358 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000192525283 442658078 /nfs/dbraw/zinc/65/80/78/442658078.db2.gz RROXXUQVUXWRCP-LBPRGKRZSA-N 1 0 337.376 1.444 20 5 EDBDRO COc1ccnc(NC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000192861982 442693450 /nfs/dbraw/zinc/69/34/50/442693450.db2.gz VMFBWAXRJCGFJJ-UHFFFAOYSA-N 1 0 347.379 1.166 20 5 EDBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000192919342 442698396 /nfs/dbraw/zinc/69/83/96/442698396.db2.gz MNLGMRFQTDWDAV-PHIMTYICSA-N 1 0 343.380 1.224 20 5 EDBDRO CC(C)C[NH+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181499858 442700347 /nfs/dbraw/zinc/70/03/47/442700347.db2.gz FXWIJLVBGBKANT-HNNXBMFYSA-N 1 0 337.420 1.608 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000192536358 442660148 /nfs/dbraw/zinc/66/01/48/442660148.db2.gz MBUQEKPOUCRXHY-OKILXGFUSA-N 1 0 347.371 1.405 20 5 EDBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000193264117 442727168 /nfs/dbraw/zinc/72/71/68/442727168.db2.gz VKWOKFVCLPZMOV-ZDUSSCGKSA-N 1 0 341.433 1.974 20 5 EDBDRO CN(CCC[NH+](C)C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000182020462 442728962 /nfs/dbraw/zinc/72/89/62/442728962.db2.gz HRKQKYLXAMCTKB-UHFFFAOYSA-N 1 0 331.376 1.804 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000193282643 442729182 /nfs/dbraw/zinc/72/91/82/442729182.db2.gz FZIFVVCFKWMUDG-SECBINFHSA-N 1 0 349.384 1.394 20 5 EDBDRO O=C1NC(=O)[C@]2(CCC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)N1 ZINC000193463998 442745306 /nfs/dbraw/zinc/74/53/06/442745306.db2.gz VJEJJSZDIUBVMF-WUTVXBCWSA-N 1 0 330.344 1.282 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000193804683 442789626 /nfs/dbraw/zinc/78/96/26/442789626.db2.gz GNSAIABGMDPKFU-CYBMUJFWSA-N 1 0 341.433 1.974 20 5 EDBDRO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CC(C)(C)O ZINC000188607911 442767848 /nfs/dbraw/zinc/76/78/48/442767848.db2.gz XACCUTKQUWQUBA-ZDUSSCGKSA-N 1 0 335.404 1.441 20 5 EDBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)Cc1ccccc1 ZINC000193704799 442770609 /nfs/dbraw/zinc/77/06/09/442770609.db2.gz MSVXLTNLGMQHGM-UHFFFAOYSA-N 1 0 330.344 1.557 20 5 EDBDRO Cc1nn(C)c(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000194118415 442848207 /nfs/dbraw/zinc/84/82/07/442848207.db2.gz BMRODSGADMHRAH-UHFFFAOYSA-N 1 0 347.375 1.829 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000268128504 442860234 /nfs/dbraw/zinc/86/02/34/442860234.db2.gz DVSZEURPMIRQJA-XHDPSFHLSA-N 1 0 339.417 1.497 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183195730 442900823 /nfs/dbraw/zinc/90/08/23/442900823.db2.gz IXPQXKTUHQVMIR-NEPJUHHUSA-N 1 0 337.376 1.635 20 5 EDBDRO C[NH+](C)[C@]1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCSC1 ZINC000268179772 442886329 /nfs/dbraw/zinc/88/63/29/442886329.db2.gz WDYSXGYOZDJSAL-AWEZNQCLSA-N 1 0 327.381 1.901 20 5 EDBDRO CCc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000194396902 442888814 /nfs/dbraw/zinc/88/88/14/442888814.db2.gz NGBWNTNXBPFDIA-NSHDSACASA-N 1 0 346.347 1.762 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]C[C@H]1CCC=CO1 ZINC000194441719 442897131 /nfs/dbraw/zinc/89/71/31/442897131.db2.gz YCUFWTDDKKPFCT-GFCCVEGCSA-N 1 0 341.389 1.155 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000268248203 442917419 /nfs/dbraw/zinc/91/74/19/442917419.db2.gz WLWIALCUSIZSHQ-YGRLFVJLSA-N 1 0 337.351 1.712 20 5 EDBDRO CC[NH+](CC)CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000183352512 442923524 /nfs/dbraw/zinc/92/35/24/442923524.db2.gz GUWMZXTWIXVRKM-UHFFFAOYSA-N 1 0 329.422 1.399 20 5 EDBDRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000183456319 318524530 /nfs/dbraw/zinc/52/45/30/318524530.db2.gz MPGXIOWXQLRVLV-YGRLFVJLSA-N 1 0 337.376 1.945 20 5 EDBDRO C[NH+](C)CCn1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])n1 ZINC000194679070 442936197 /nfs/dbraw/zinc/93/61/97/442936197.db2.gz YZVBAVJDLIGREJ-UHFFFAOYSA-N 1 0 347.375 1.761 20 5 EDBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000189555915 442978174 /nfs/dbraw/zinc/97/81/74/442978174.db2.gz CAESEDRWAXNQOQ-LBPRGKRZSA-N 1 0 344.371 1.946 20 5 EDBDRO CN1CC[NH+](CCC(C)(C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000184180289 442999670 /nfs/dbraw/zinc/99/96/70/442999670.db2.gz DLWFUWZHWGFBJH-UHFFFAOYSA-N 1 0 334.420 1.741 20 5 EDBDRO CC[N@@H+]1CCC[C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184254951 443006185 /nfs/dbraw/zinc/00/61/85/443006185.db2.gz TWVXJUUOWWAUGN-ZDUSSCGKSA-N 1 0 327.406 1.499 20 5 EDBDRO COc1cc(CN2CC[N@H+](CCO)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000190249999 443076511 /nfs/dbraw/zinc/07/65/11/443076511.db2.gz DFIFFWNHVFSRFM-GFCCVEGCSA-N 1 0 339.392 1.110 20 5 EDBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000236721625 443145160 /nfs/dbraw/zinc/14/51/60/443145160.db2.gz HKWJJPJCJIXRBJ-AWEZNQCLSA-N 1 0 331.376 1.731 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000261991396 443178385 /nfs/dbraw/zinc/17/83/85/443178385.db2.gz SZUDAXPXJNQNSO-WCQYABFASA-N 1 0 327.406 1.794 20 5 EDBDRO Cc1ccc(C)n1C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000266741372 443226165 /nfs/dbraw/zinc/22/61/65/443226165.db2.gz NOSANLNPFTTXNP-QGZVFWFLSA-N 1 0 347.419 1.908 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1OC ZINC000269187627 443226454 /nfs/dbraw/zinc/22/64/54/443226454.db2.gz GKTUXBHNFYSFKA-ZYHUDNBSSA-N 1 0 337.376 1.811 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000323292966 318941993 /nfs/dbraw/zinc/94/19/93/318941993.db2.gz MFCHCKNPRDVFLV-NSHDSACASA-N 1 0 343.405 1.366 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000262546877 443199852 /nfs/dbraw/zinc/19/98/52/443199852.db2.gz RVTNYXBZHHLIQZ-KOLCDFICSA-N 1 0 345.808 1.621 20 5 EDBDRO CC(C)(C)c1ccc(NC(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC000415693186 319364646 /nfs/dbraw/zinc/36/46/46/319364646.db2.gz HRPKBQHMMWXESR-QMTHXVAHSA-N 1 0 336.392 1.594 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000269344863 443288408 /nfs/dbraw/zinc/28/84/08/443288408.db2.gz HVHRDZXDWXLSLY-JTQLQIEISA-N 1 0 347.824 1.963 20 5 EDBDRO COCCN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccnc1 ZINC000191244268 443265009 /nfs/dbraw/zinc/26/50/09/443265009.db2.gz GSGMWOJGJUKDIT-UHFFFAOYSA-N 1 0 332.360 1.300 20 5 EDBDRO NC(=O)c1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000264542151 443319690 /nfs/dbraw/zinc/31/96/90/443319690.db2.gz AXEHPUOUJUMBMB-OAHLLOKOSA-N 1 0 332.404 1.754 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000267197065 443374391 /nfs/dbraw/zinc/37/43/91/443374391.db2.gz FBTVPOQLTGRPBT-NSHDSACASA-N 1 0 342.421 1.020 20 5 EDBDRO CC[NH+](CC)CCN(CCOC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269663552 443385325 /nfs/dbraw/zinc/38/53/25/443385325.db2.gz REHODPFSZXNLSC-KRWDZBQOSA-N 1 0 339.436 1.918 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+]C3(CO)CCOCC3)o2)c1 ZINC000264709591 443385590 /nfs/dbraw/zinc/38/55/90/443385590.db2.gz LYGRHXRGPYFCLL-UHFFFAOYSA-N 1 0 347.371 1.923 20 5 EDBDRO COC[C@@H](C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)OC ZINC000272632466 443389400 /nfs/dbraw/zinc/38/94/00/443389400.db2.gz AZNACCKFJQXCJA-BXUZGUMPSA-N 1 0 325.365 1.563 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCC1CC[NH+](C2CC2)CC1 ZINC000278571233 443364331 /nfs/dbraw/zinc/36/43/31/443364331.db2.gz RTFRHHBNCUPQGY-UHFFFAOYSA-N 1 0 333.388 1.964 20 5 EDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000269615639 443365497 /nfs/dbraw/zinc/36/54/97/443365497.db2.gz SCLIARPDXUQDQD-NWDGAFQWSA-N 1 0 335.408 1.998 20 5 EDBDRO C[C@@H]([NH2+][C@H]1CCC(=O)NC12CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282750596 443424235 /nfs/dbraw/zinc/42/42/35/443424235.db2.gz KDMUQDVEANNCDZ-RISCZKNCSA-N 1 0 346.387 1.713 20 5 EDBDRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000272861305 443470921 /nfs/dbraw/zinc/47/09/21/443470921.db2.gz PSWWSAMVQWMKDE-SECBINFHSA-N 1 0 342.783 1.643 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])cc([N+](=O)[O-])c1C ZINC000423503184 319779622 /nfs/dbraw/zinc/77/96/22/319779622.db2.gz FPOSSIHEQCUNTI-STQMWFEESA-N 1 0 337.376 1.490 20 5 EDBDRO COc1ccc(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000265096090 443531861 /nfs/dbraw/zinc/53/18/61/443531861.db2.gz RRGICCWUNAPMAO-OCCSQVGLSA-N 1 0 348.403 1.982 20 5 EDBDRO C[C@@H](Cn1cccn1)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000273193912 443559461 /nfs/dbraw/zinc/55/94/61/443559461.db2.gz OLUGYIZUZXGQEC-NSHDSACASA-N 1 0 335.339 1.937 20 5 EDBDRO C[NH+](C)C[C@@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCO1 ZINC000265403085 443630626 /nfs/dbraw/zinc/63/06/26/443630626.db2.gz XZSALEJDHGWKSP-GFCCVEGCSA-N 1 0 332.360 1.479 20 5 EDBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000275606056 443633640 /nfs/dbraw/zinc/63/36/40/443633640.db2.gz SSINSAHTOXTNGW-NSHDSACASA-N 1 0 338.364 1.784 20 5 EDBDRO COCCC[NH+]1CCC(NC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272380119 443608005 /nfs/dbraw/zinc/60/80/05/443608005.db2.gz FOOZBSDPTYXXPS-UHFFFAOYSA-N 1 0 336.392 1.408 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276156931 443657404 /nfs/dbraw/zinc/65/74/04/443657404.db2.gz FKSODNSKKRDAKS-GFCCVEGCSA-N 1 0 341.433 1.776 20 5 EDBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435244799 320013506 /nfs/dbraw/zinc/01/35/06/320013506.db2.gz IBIGCAJOUNUKFO-OAHLLOKOSA-N 1 0 341.371 1.747 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000440357147 320073747 /nfs/dbraw/zinc/07/37/47/320073747.db2.gz LQGGGVOXOAXYRP-UHFFFAOYSA-N 1 0 327.406 1.571 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000449723832 320201932 /nfs/dbraw/zinc/20/19/32/320201932.db2.gz MJFXLEQPSOMYME-VXGBXAGGSA-N 1 0 329.360 1.638 20 5 EDBDRO Cc1c(C(=O)N[C@H]2CC[NH2+]C2(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000449749041 320204584 /nfs/dbraw/zinc/20/45/84/320204584.db2.gz OITCCPQTHMZOFJ-ZDUSSCGKSA-N 1 0 344.375 1.354 20 5 EDBDRO CC(C)(C[NH+]1CCCC1)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000452097608 320241324 /nfs/dbraw/zinc/24/13/24/320241324.db2.gz REIFDNXCZHXEOA-UHFFFAOYSA-N 1 0 346.431 1.948 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000457089865 320319207 /nfs/dbraw/zinc/31/92/07/320319207.db2.gz LQJHDVASIIITLE-GFCCVEGCSA-N 1 0 335.360 1.878 20 5 EDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@H+]1CCCO ZINC000493661683 320396920 /nfs/dbraw/zinc/39/69/20/320396920.db2.gz OOELFJDOQGPTNS-KXPUMZMLSA-N 1 0 333.388 1.571 20 5 EDBDRO CCc1ccc(S(=O)(=O)NC[C@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000516647359 320439590 /nfs/dbraw/zinc/43/95/90/320439590.db2.gz DLLAVDZQQUWNFU-LBPRGKRZSA-N 1 0 341.433 1.920 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000298324347 443746775 /nfs/dbraw/zinc/74/67/75/443746775.db2.gz ZJJSCDZXWWUZJY-GFCCVEGCSA-N 1 0 334.376 1.313 20 5 EDBDRO C[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000298498988 443784332 /nfs/dbraw/zinc/78/43/32/443784332.db2.gz LVQBNMYFUOXTOC-CHWSQXEVSA-N 1 0 341.433 1.994 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000276786510 443827134 /nfs/dbraw/zinc/82/71/34/443827134.db2.gz IVLNWNMDOXEEEQ-STQMWFEESA-N 1 0 341.433 1.782 20 5 EDBDRO C[NH+]1CCN(CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000298696998 443841546 /nfs/dbraw/zinc/84/15/46/443841546.db2.gz FZSOEHOSNXPWSZ-UHFFFAOYSA-N 1 0 333.392 1.139 20 5 EDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000292989666 443897062 /nfs/dbraw/zinc/89/70/62/443897062.db2.gz BYIXVSHYJWDPBY-HZPDHXFCSA-N 1 0 333.388 1.656 20 5 EDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000298771634 443863603 /nfs/dbraw/zinc/86/36/03/443863603.db2.gz TVTAKMOXTXVBGN-OLZOCXBDSA-N 1 0 341.433 1.917 20 5 EDBDRO Cc1cc(OCC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000281551849 443941449 /nfs/dbraw/zinc/94/14/49/443941449.db2.gz XSJRIVKLXKHVFV-ZIAGYGMSSA-N 1 0 333.388 1.977 20 5 EDBDRO COc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000298921655 443903090 /nfs/dbraw/zinc/90/30/90/443903090.db2.gz IQAGGBXOCQYPJH-ZDUSSCGKSA-N 1 0 348.403 1.887 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000277485156 443991973 /nfs/dbraw/zinc/99/19/73/443991973.db2.gz OLEPTHRLZGVYMU-WCQYABFASA-N 1 0 337.376 1.947 20 5 EDBDRO NC(=O)[C@H]1CCO[C@@H]1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000285582433 444036786 /nfs/dbraw/zinc/03/67/86/444036786.db2.gz SRKCTDDSCRKPSJ-DLBZAZTESA-N 1 0 347.415 1.740 20 5 EDBDRO C[N@H+](CCOCCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000281909498 444037128 /nfs/dbraw/zinc/03/71/28/444037128.db2.gz ATNLEXUSBQZRCG-UHFFFAOYSA-N 1 0 335.360 1.733 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293550163 444051169 /nfs/dbraw/zinc/05/11/69/444051169.db2.gz DXFXIRMGNVTOMF-INIZCTEOSA-N 1 0 331.376 1.824 20 5 EDBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293467319 444025913 /nfs/dbraw/zinc/02/59/13/444025913.db2.gz QLMWPZIXSDZIEL-MLGOLLRUSA-N 1 0 341.371 1.605 20 5 EDBDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])nc2)C1 ZINC000554891311 320959892 /nfs/dbraw/zinc/95/98/92/320959892.db2.gz SHKXKFGOPRIHRA-NSHDSACASA-N 1 0 345.363 1.106 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293574906 444058465 /nfs/dbraw/zinc/05/84/65/444058465.db2.gz YGJFWTZTSYQTMH-JQWIXIFHSA-N 1 0 333.344 1.190 20 5 EDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000285648641 444060791 /nfs/dbraw/zinc/06/07/91/444060791.db2.gz ZUGDQAOBEZLFKE-ZDUSSCGKSA-N 1 0 333.310 1.948 20 5 EDBDRO CC(C)(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000289144892 444062939 /nfs/dbraw/zinc/06/29/39/444062939.db2.gz FVZQMKDTDZKKAG-INIZCTEOSA-N 1 0 346.431 1.379 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC[C@@H](O)C(F)(F)F)c1 ZINC000563888138 321114839 /nfs/dbraw/zinc/11/48/39/321114839.db2.gz MYPNUHHPDZFTOG-CMPLNLGQSA-N 1 0 338.282 1.237 20 5 EDBDRO O=C(CC[N@@H+](CCO)C1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000282118211 444090658 /nfs/dbraw/zinc/09/06/58/444090658.db2.gz QLFLRYXHWACESV-UHFFFAOYSA-N 1 0 337.376 1.397 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000564958289 321160628 /nfs/dbraw/zinc/16/06/28/321160628.db2.gz ZFVPYKWYLNVNIR-NSHDSACASA-N 1 0 327.406 1.517 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000565244889 321178905 /nfs/dbraw/zinc/17/89/05/321178905.db2.gz KKQMHQMQZZXMEZ-NWDGAFQWSA-N 1 0 327.406 1.712 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000565597095 321192541 /nfs/dbraw/zinc/19/25/41/321192541.db2.gz MXBSKJULQWNKPC-LBPRGKRZSA-N 1 0 337.351 1.561 20 5 EDBDRO CCn1cccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1=O ZINC000566123738 321218295 /nfs/dbraw/zinc/21/82/95/321218295.db2.gz DOYPJBXJZPQYRC-HNNXBMFYSA-N 1 0 347.371 1.306 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)c1 ZINC000568970665 321312582 /nfs/dbraw/zinc/31/25/82/321312582.db2.gz AASADZRUQSYCPH-KRWDZBQOSA-N 1 0 349.387 1.180 20 5 EDBDRO CCS(=O)(=O)N(C)CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571224931 321378400 /nfs/dbraw/zinc/37/84/00/321378400.db2.gz ONGHTTXZYVNUAB-AWEZNQCLSA-N 1 0 341.433 1.843 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000299708707 444121501 /nfs/dbraw/zinc/12/15/01/444121501.db2.gz PYRXPUSWYRZCBZ-GXTWGEPZSA-N 1 0 348.403 1.783 20 5 EDBDRO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C2=O ZINC000574516426 321487262 /nfs/dbraw/zinc/48/72/62/321487262.db2.gz BPGHPKAKZNUFBO-BLLLJJGKSA-N 1 0 332.360 1.534 20 5 EDBDRO C[N@H+](CCOCCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000282249091 444126347 /nfs/dbraw/zinc/12/63/47/444126347.db2.gz AZUXJTSGKGQYCM-UHFFFAOYSA-N 1 0 333.182 1.798 20 5 EDBDRO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000282255834 444127776 /nfs/dbraw/zinc/12/77/76/444127776.db2.gz GVWUXPKITWSXSW-SCZZXKLOSA-N 1 0 340.767 1.443 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000289879310 444214485 /nfs/dbraw/zinc/21/44/85/444214485.db2.gz SHBQSRKJTMAKSZ-CYBMUJFWSA-N 1 0 349.435 1.915 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CN(C)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301485370 444174484 /nfs/dbraw/zinc/17/44/84/444174484.db2.gz WOCRAKMVGHOWBD-LBPRGKRZSA-N 1 0 331.376 1.523 20 5 EDBDRO CC[NH2+]CCCNC(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-] ZINC000575921252 321534781 /nfs/dbraw/zinc/53/47/81/321534781.db2.gz NOBMDSBLHIVANG-UHFFFAOYSA-N 1 0 325.365 1.732 20 5 EDBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000296017228 444199422 /nfs/dbraw/zinc/19/94/22/444199422.db2.gz MXDOSGHUQGIUAN-AVRGHOLYSA-N 1 0 338.404 1.984 20 5 EDBDRO COCC[NH+]1CCC(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000576800094 321596946 /nfs/dbraw/zinc/59/69/46/321596946.db2.gz FAABYHYNNISXBX-ZDUSSCGKSA-N 1 0 335.404 1.925 20 5 EDBDRO CCC[C@@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000296596308 444242271 /nfs/dbraw/zinc/24/22/71/444242271.db2.gz VHDQTLLHJNBWOM-HUUCEWRRSA-N 1 0 342.417 1.575 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000317255486 444314620 /nfs/dbraw/zinc/31/46/20/444314620.db2.gz PMJOJDGZPBUJMP-AAEUAGOBSA-N 1 0 327.406 1.651 20 5 EDBDRO CS(=O)(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000577648808 321670888 /nfs/dbraw/zinc/67/08/88/321670888.db2.gz KLGFAIUFJJWZFX-BXUZGUMPSA-N 1 0 339.417 1.596 20 5 EDBDRO CNS(=O)(=O)c1ccc(N(C)CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000322610819 444340634 /nfs/dbraw/zinc/34/06/34/444340634.db2.gz ONAYUAHDZROXTA-GFCCVEGCSA-N 1 0 344.437 1.313 20 5 EDBDRO CCC(CC)(C[NH3+])NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000320550913 444330953 /nfs/dbraw/zinc/33/09/53/444330953.db2.gz IIWHODYQEMWBFM-UHFFFAOYSA-N 1 0 325.365 1.859 20 5 EDBDRO CC(C)[C@H](O)C(C)(C)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578651965 321810469 /nfs/dbraw/zinc/81/04/69/321810469.db2.gz SAXCPPNXKWWWOK-HOCLYGCPSA-N 1 0 340.420 1.967 20 5 EDBDRO Cc1nccnc1CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000579345020 321921792 /nfs/dbraw/zinc/92/17/92/321921792.db2.gz SYMXDQYORMKTKM-UHFFFAOYSA-N 1 0 329.360 1.854 20 5 EDBDRO O=C([C@H]1CCC[N@@H+]1C1CC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000580929108 322112712 /nfs/dbraw/zinc/11/27/12/322112712.db2.gz DRWCBLWDVIWAPC-IUODEOHRSA-N 1 0 345.403 1.629 20 5 EDBDRO Cn1cc([C@@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2(C)C)cn1 ZINC000581109969 322136179 /nfs/dbraw/zinc/13/61/79/322136179.db2.gz AFXOZGPSSRYSGI-GJZGRUSLSA-N 1 0 348.407 1.011 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000340877824 444555341 /nfs/dbraw/zinc/55/53/41/444555341.db2.gz CVRIMRCYBBFKRT-YPMHNXCESA-N 1 0 327.406 1.474 20 5 EDBDRO COC(=O)c1cc(C)nc(N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000342198602 444559691 /nfs/dbraw/zinc/55/96/91/444559691.db2.gz HHDUNUFUVXSSCI-GFCCVEGCSA-N 1 0 334.376 1.758 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000340862015 444548804 /nfs/dbraw/zinc/54/88/04/444548804.db2.gz FLDOFMPAJXCWJC-NSHDSACASA-N 1 0 325.413 1.401 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000342244756 444585850 /nfs/dbraw/zinc/58/58/50/444585850.db2.gz GMSZIYAKAOHJDG-CQSZACIVSA-N 1 0 348.403 1.315 20 5 EDBDRO CC[N@H+](CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000338453148 444702790 /nfs/dbraw/zinc/70/27/90/444702790.db2.gz FYVRQQDBNVGGSQ-UHFFFAOYSA-N 1 0 343.387 1.995 20 5 EDBDRO C[NH+](C)Cc1ccccc1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000342851467 444892990 /nfs/dbraw/zinc/89/29/90/444892990.db2.gz GWWULLFMWFMPTI-UHFFFAOYSA-N 1 0 344.371 1.135 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000330426628 444976614 /nfs/dbraw/zinc/97/66/14/444976614.db2.gz SWOPIAKJJZURIR-CYBMUJFWSA-N 1 0 341.433 1.913 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN(CCO)[C@H](C)C1 ZINC000343035702 445020142 /nfs/dbraw/zinc/02/01/42/445020142.db2.gz TWNUABBHSLQGQC-GFCCVEGCSA-N 1 0 337.376 1.193 20 5 EDBDRO COCCN1C(=O)N[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)CC[C@H]21 ZINC000344597206 445080175 /nfs/dbraw/zinc/08/01/75/445080175.db2.gz XQSRAOJXZMCALK-JKSUJKDBSA-N 1 0 348.403 1.518 20 5 EDBDRO O=C(NCCNc1cc[nH+]cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000341871621 445046074 /nfs/dbraw/zinc/04/60/74/445046074.db2.gz ODDDYVXGNDIUAN-UHFFFAOYSA-N 1 0 344.327 1.025 20 5 EDBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346224505 445208842 /nfs/dbraw/zinc/20/88/42/445208842.db2.gz NWKUNOOZBJQGQO-SLEUVZQESA-N 1 0 332.404 1.979 20 5 EDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1C[C@H](F)CN1c1ccncn1 ZINC000348183656 445308757 /nfs/dbraw/zinc/30/87/57/445308757.db2.gz SXWGWRXBPQSHLB-QWHCGFSZSA-N 1 0 349.370 1.130 20 5 EDBDRO COc1cc(C(=O)NC[C@H](C2CC2)[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000356987875 445363424 /nfs/dbraw/zinc/36/34/24/445363424.db2.gz SBGSJURWSRXECI-CYBMUJFWSA-N 1 0 337.376 1.682 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357077308 445411129 /nfs/dbraw/zinc/41/11/29/445411129.db2.gz ARPYMJWFPIRGNM-CHWSQXEVSA-N 1 0 346.387 1.434 20 5 EDBDRO COC(=O)CN1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000354905004 445432380 /nfs/dbraw/zinc/43/23/80/445432380.db2.gz SREMIGXKCPENHE-ZDUSSCGKSA-N 1 0 349.387 1.518 20 5 EDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000362594278 445454846 /nfs/dbraw/zinc/45/48/46/445454846.db2.gz ZWHQQSFUXNGRTM-JTQLQIEISA-N 1 0 327.331 1.874 20 5 EDBDRO COC[C@@]1(CNC(=O)CCOc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000357291667 445529180 /nfs/dbraw/zinc/52/91/80/445529180.db2.gz REKMMABHEHYTAR-INIZCTEOSA-N 1 0 337.376 1.249 20 5 EDBDRO COC(=O)COc1ccc(CN2CC[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000349317107 445561334 /nfs/dbraw/zinc/56/13/34/445561334.db2.gz PAHRIPWTBBKTPR-UHFFFAOYSA-N 1 0 349.387 1.427 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000349419373 445583054 /nfs/dbraw/zinc/58/30/54/445583054.db2.gz PINBSJNFEBLPQE-FZMZJTMJSA-N 1 0 338.360 1.349 20 5 EDBDRO NC(=O)c1ccnc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000357328135 445549826 /nfs/dbraw/zinc/54/98/26/445549826.db2.gz WMTFOJKMGAOSPF-ZDUSSCGKSA-N 1 0 341.371 1.775 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000353425442 445595561 /nfs/dbraw/zinc/59/55/61/445595561.db2.gz JYXKBRPNGSMPCS-UHFFFAOYSA-N 1 0 329.422 1.769 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N(C)CC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000360298638 445684610 /nfs/dbraw/zinc/68/46/10/445684610.db2.gz MZDMGXHRJQJULZ-UHFFFAOYSA-N 1 0 348.403 1.187 20 5 EDBDRO CN(CCC[NH+]1CCCC1)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000358660657 445699967 /nfs/dbraw/zinc/69/99/67/445699967.db2.gz GVXKDEHHPQQDJG-UHFFFAOYSA-N 1 0 341.433 1.920 20 5 EDBDRO O=C([C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1)N1CCOCC1 ZINC000363387170 445782800 /nfs/dbraw/zinc/78/28/00/445782800.db2.gz AJXXYQBWBFKWMW-INIZCTEOSA-N 1 0 347.415 1.708 20 5 EDBDRO C[NH+]1CCC(CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000365966281 445932923 /nfs/dbraw/zinc/93/29/23/445932923.db2.gz FXHMFESKNWECPB-UHFFFAOYSA-N 1 0 333.388 1.916 20 5 EDBDRO COc1cccc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000364944002 445971020 /nfs/dbraw/zinc/97/10/20/445971020.db2.gz MRTLVKGMWIFHTC-CQSZACIVSA-N 1 0 334.420 1.820 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000354175417 445971976 /nfs/dbraw/zinc/97/19/76/445971976.db2.gz SWNXRVGCEPSZDF-GFCCVEGCSA-N 1 0 348.403 1.506 20 5 EDBDRO O=[N+]([O-])c1ccc(OCCCN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000369247473 446020266 /nfs/dbraw/zinc/02/02/66/446020266.db2.gz BRFHGPCGHXYJMJ-QZTJIDSGSA-N 1 0 349.431 1.895 20 5 EDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000359202909 446032354 /nfs/dbraw/zinc/03/23/54/446032354.db2.gz SJHVGJJPDKSRMO-CYBMUJFWSA-N 1 0 349.387 1.509 20 5 EDBDRO CC(C)[C@H](CO)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000584291898 326236946 /nfs/dbraw/zinc/23/69/46/326236946.db2.gz MDTWTHFGAXBWEG-LBPRGKRZSA-N 1 0 330.406 1.223 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N(CC[NH+](C)C)C2CC2)cc([N+](=O)[O-])c1 ZINC000356879286 446091141 /nfs/dbraw/zinc/09/11/41/446091141.db2.gz SDRJJJXQOUKPTR-UHFFFAOYSA-N 1 0 349.387 1.938 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CCC([NH2+]C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000373198768 446092098 /nfs/dbraw/zinc/09/20/98/446092098.db2.gz SRBLPSJMRQHBPJ-UHFFFAOYSA-N 1 0 335.408 1.774 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000351490440 446092613 /nfs/dbraw/zinc/09/26/13/446092613.db2.gz FDDUAAWEPKZZIK-ONGXEEELSA-N 1 0 338.339 1.271 20 5 EDBDRO C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000359313999 446142244 /nfs/dbraw/zinc/14/22/44/446142244.db2.gz ONDNJKKNFJDZFB-NWDGAFQWSA-N 1 0 343.405 1.030 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cccc([N+](=O)[O-])c1 ZINC000369778943 446153710 /nfs/dbraw/zinc/15/37/10/446153710.db2.gz TWIIYWVOEQEIAY-VNQPRFMTSA-N 1 0 333.388 1.919 20 5 EDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C2)C1 ZINC000366560946 446262404 /nfs/dbraw/zinc/26/24/04/446262404.db2.gz SNRPWOBGOIEABF-KRWDZBQOSA-N 1 0 332.404 1.951 20 5 EDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000370435664 446278809 /nfs/dbraw/zinc/27/88/09/446278809.db2.gz BRPXQLPWCNQITQ-FZMZJTMJSA-N 1 0 344.375 1.683 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000366609884 446280149 /nfs/dbraw/zinc/28/01/49/446280149.db2.gz QQNIKZXSXUWESV-QGZVFWFLSA-N 1 0 348.447 1.815 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000420262670 446438629 /nfs/dbraw/zinc/43/86/29/446438629.db2.gz AZXRIPANZBKNBZ-QWHCGFSZSA-N 1 0 348.403 1.911 20 5 EDBDRO NS(=O)(=O)c1cc(NCCC[C@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000420267799 446440504 /nfs/dbraw/zinc/44/05/04/446440504.db2.gz HBTKXDJBTGVEMK-SNVBAGLBSA-N 1 0 328.394 1.186 20 5 EDBDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000431976261 446448024 /nfs/dbraw/zinc/44/80/24/446448024.db2.gz BLWVSNHZKFRWTJ-FZMZJTMJSA-N 1 0 334.380 1.298 20 5 EDBDRO NS(=O)(=O)c1cccc(NC[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420284309 446449518 /nfs/dbraw/zinc/44/95/18/446449518.db2.gz OKXRIASTVDTKKL-UWVGGRQHSA-N 1 0 328.394 1.172 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@](C)(CN)C(C)C ZINC000420315299 446479838 /nfs/dbraw/zinc/47/98/38/446479838.db2.gz LNVOSTPLOASCGF-MRXNPFEDSA-N 1 0 338.408 1.895 20 5 EDBDRO CC(C)[C@@](C)(C[NH3+])NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420315260 446480142 /nfs/dbraw/zinc/48/01/42/446480142.db2.gz LKMZVEOKQWJPEX-CQSZACIVSA-N 1 0 329.422 1.332 20 5 EDBDRO CO[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000420314739 446480364 /nfs/dbraw/zinc/48/03/64/446480364.db2.gz WFKIECOOIKMNIJ-HUUCEWRRSA-N 1 0 336.392 1.362 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420346033 446518646 /nfs/dbraw/zinc/51/86/46/446518646.db2.gz XEQSMJREQYRUSG-RISCZKNCSA-N 1 0 334.376 1.226 20 5 EDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418399628 446530057 /nfs/dbraw/zinc/53/00/57/446530057.db2.gz DXWXTBWVNIKQBB-SMDDNHRTSA-N 1 0 334.376 1.626 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc([N+](=O)[O-])c1 ZINC000423632202 446617889 /nfs/dbraw/zinc/61/78/89/446617889.db2.gz IUJSOWPMRUBKKP-PKFCDNJMSA-N 1 0 335.360 1.498 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420416645 446590189 /nfs/dbraw/zinc/59/01/89/446590189.db2.gz GPGGFDSSQAEAIX-HNNXBMFYSA-N 1 0 339.417 1.586 20 5 EDBDRO CC[NH2+][C@H](C)CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418596217 446608407 /nfs/dbraw/zinc/60/84/07/446608407.db2.gz YFZHIMUEJNYUCA-CYBMUJFWSA-N 1 0 335.408 1.424 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000420468771 446644209 /nfs/dbraw/zinc/64/42/09/446644209.db2.gz YGCCOMJTPZRDAF-RISCZKNCSA-N 1 0 327.406 1.136 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CC[C@H]3CC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000375232212 446659476 /nfs/dbraw/zinc/65/94/76/446659476.db2.gz DALYDCBPHUSQKR-YPMHNXCESA-N 1 0 334.376 1.615 20 5 EDBDRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2ccccc2[N+](=O)[O-])C1=O ZINC000371092144 446623510 /nfs/dbraw/zinc/62/35/10/446623510.db2.gz ZFFKNBWKWKVXRB-MLGOLLRUSA-N 1 0 332.360 1.405 20 5 EDBDRO CC(C)c1ccc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000423654721 446627349 /nfs/dbraw/zinc/62/73/49/446627349.db2.gz TVVDKKZMPCPSII-OAHLLOKOSA-N 1 0 346.431 1.838 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000368082404 446628509 /nfs/dbraw/zinc/62/85/09/446628509.db2.gz FIPXWKVWDRYMBT-STQMWFEESA-N 1 0 346.387 1.300 20 5 EDBDRO C[C@@H](NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000418777997 446695316 /nfs/dbraw/zinc/69/53/16/446695316.db2.gz IFCRAXUGWHQIQP-OLZOCXBDSA-N 1 0 348.403 1.278 20 5 EDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000423963338 446799513 /nfs/dbraw/zinc/79/95/13/446799513.db2.gz VWTKVEKPRZNWOK-CYBMUJFWSA-N 1 0 332.364 1.279 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000420730462 446776174 /nfs/dbraw/zinc/77/61/74/446776174.db2.gz DGABMJUPXVYMJZ-ZDUSSCGKSA-N 1 0 341.433 1.926 20 5 EDBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000368370033 446816066 /nfs/dbraw/zinc/81/60/66/446816066.db2.gz MWHLERMUMBHJRX-QWHCGFSZSA-N 1 0 341.371 1.605 20 5 EDBDRO CNC(=O)NC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000412052962 446816565 /nfs/dbraw/zinc/81/65/65/446816565.db2.gz GYROWACBEIQTGS-UHFFFAOYSA-N 1 0 349.391 1.317 20 5 EDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000424019581 446827267 /nfs/dbraw/zinc/82/72/67/446827267.db2.gz KIPXMNFTKAGUPW-GFCCVEGCSA-N 1 0 339.417 1.897 20 5 EDBDRO C[C@@H]1C[C@H](C)N(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424068991 446838830 /nfs/dbraw/zinc/83/88/30/446838830.db2.gz ILHLJMHBUFYFPU-RDBSUJKOSA-N 1 0 334.420 1.863 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000421022856 446992691 /nfs/dbraw/zinc/99/26/91/446992691.db2.gz PEUXLQXMHWRKOJ-DGCLKSJQSA-N 1 0 337.376 1.777 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000419278595 447052427 /nfs/dbraw/zinc/05/24/27/447052427.db2.gz VPIDMHVANZTJPC-AVGNSLFASA-N 1 0 348.403 1.276 20 5 EDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000455330316 447109564 /nfs/dbraw/zinc/10/95/64/447109564.db2.gz JYWZRAGQAVVHPS-LBPRGKRZSA-N 1 0 340.355 1.702 20 5 EDBDRO CN1CCC[C@@]2(CC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)C1=O ZINC000372493754 447087203 /nfs/dbraw/zinc/08/72/03/447087203.db2.gz IJUQLAPPRKQUMW-WBVHZDCISA-N 1 0 333.388 1.573 20 5 EDBDRO C[C@@H](O)C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@H](C)CO ZINC000425446954 447166893 /nfs/dbraw/zinc/16/68/93/447166893.db2.gz PPZOLXFETCMMRF-NXEZZACHSA-N 1 0 347.209 1.921 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000421784011 447249854 /nfs/dbraw/zinc/24/98/54/447249854.db2.gz HCHXAGWXMVSHNJ-UHFFFAOYSA-N 1 0 335.404 1.646 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000377607390 447241022 /nfs/dbraw/zinc/24/10/22/447241022.db2.gz PAKFPHNWDMJSDK-RYUDHWBXSA-N 1 0 334.376 1.428 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000372803869 447293228 /nfs/dbraw/zinc/29/32/28/447293228.db2.gz DNWVOAUUMLVGFI-CJNGLKHVSA-N 1 0 335.360 1.699 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000425663685 447258950 /nfs/dbraw/zinc/25/89/50/447258950.db2.gz REIOGQYLENPCPM-GOEBONIOSA-N 1 0 332.404 1.873 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)N(CCO)C[C@@H]1C ZINC000421901482 447272522 /nfs/dbraw/zinc/27/25/22/447272522.db2.gz RYNMNMAVZLHQKF-KBPBESRZSA-N 1 0 335.404 1.739 20 5 EDBDRO CNc1nc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000455999715 447281984 /nfs/dbraw/zinc/28/19/84/447281984.db2.gz XXVZROFLNQEWAJ-WCQYABFASA-N 1 0 333.392 1.588 20 5 EDBDRO C[NH+](C)C[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)c2ccccc2O1 ZINC000372783296 447283227 /nfs/dbraw/zinc/28/32/27/447283227.db2.gz IUGMITXARHUMAY-LBPRGKRZSA-N 1 0 345.359 1.147 20 5 EDBDRO CC[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000422395034 447525151 /nfs/dbraw/zinc/52/51/51/447525151.db2.gz DWQIFLJFMAUFMR-DZGCQCFKSA-N 1 0 348.403 1.373 20 5 EDBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000416292120 447556866 /nfs/dbraw/zinc/55/68/66/447556866.db2.gz IJEBDINOYRSROX-NWDGAFQWSA-N 1 0 346.387 1.603 20 5 EDBDRO Cc1cc(N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450779009 447572943 /nfs/dbraw/zinc/57/29/43/447572943.db2.gz MNOIJVARLYBIPW-TXEJJXNPSA-N 1 0 326.312 1.160 20 5 EDBDRO COc1cc(N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000420150924 447639630 /nfs/dbraw/zinc/63/96/30/447639630.db2.gz LPKJOWYVXNOUTP-ZDUSSCGKSA-N 1 0 348.403 1.252 20 5 EDBDRO C[C@H]1C[C@@H](C[NH3+])CN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000420222229 447676320 /nfs/dbraw/zinc/67/63/20/447676320.db2.gz WBQMBDSNWVTRPD-RYUDHWBXSA-N 1 0 343.387 1.733 20 5 EDBDRO Cc1cc(N2CCC[C@H](N3CCNCC3=O)C2)c(F)cc1[N+](=O)[O-] ZINC000420239638 447682553 /nfs/dbraw/zinc/68/25/53/447682553.db2.gz MJROVZZLLWKCFN-LBPRGKRZSA-N 1 0 336.367 1.443 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@H]1Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000420240460 447684067 /nfs/dbraw/zinc/68/40/67/447684067.db2.gz NLWAKJDGRYSDMJ-IUODEOHRSA-N 1 0 348.403 1.477 20 5 EDBDRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000459752961 447756722 /nfs/dbraw/zinc/75/67/22/447756722.db2.gz CMEPJRYNTURDEA-LRDDRELGSA-N 1 0 336.367 1.854 20 5 EDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000422823236 447760824 /nfs/dbraw/zinc/76/08/24/447760824.db2.gz CWEIDXLENNTCQO-GFCCVEGCSA-N 1 0 336.392 1.017 20 5 EDBDRO O=C1OCCN1CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000496500795 447791470 /nfs/dbraw/zinc/79/14/70/447791470.db2.gz OFESMZLKKXAEAL-STQMWFEESA-N 1 0 337.380 1.707 20 5 EDBDRO COC(=O)[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1c1ccccc1 ZINC000452006431 447800914 /nfs/dbraw/zinc/80/09/14/447800914.db2.gz OHMWCGAUXJWSCM-ZIAGYGMSSA-N 1 0 344.371 1.717 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000423104890 447806071 /nfs/dbraw/zinc/80/60/71/447806071.db2.gz QLCBILIYWCCBPL-OLZOCXBDSA-N 1 0 348.403 1.139 20 5 EDBDRO CC(C)[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000487964619 447839595 /nfs/dbraw/zinc/83/95/95/447839595.db2.gz PTVFERDRNWMNDJ-MRXNPFEDSA-N 1 0 334.420 1.830 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(NCC3CC[NH+](CCO)CC3)n2)cc1 ZINC000486954061 447826756 /nfs/dbraw/zinc/82/67/56/447826756.db2.gz HXZRRHWCWNCDPI-UHFFFAOYSA-N 1 0 347.375 1.761 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486948001 447826801 /nfs/dbraw/zinc/82/68/01/447826801.db2.gz SRYQZPOXJNOCSD-LBPRGKRZSA-N 1 0 346.391 1.693 20 5 EDBDRO COCCN(CCOc1ccccc1[N+](=O)[O-])Cc1ccnn1C ZINC000489893184 447878507 /nfs/dbraw/zinc/87/85/07/447878507.db2.gz WAAXFMICOZAQDM-UHFFFAOYSA-N 1 0 334.376 1.856 20 5 EDBDRO CC[N@H+]1C[C@@H](C)N(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000570059188 447941780 /nfs/dbraw/zinc/94/17/80/447941780.db2.gz IPIALBCLTGMGIN-BETUJISGSA-N 1 0 348.403 1.266 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000491222456 447964497 /nfs/dbraw/zinc/96/44/97/447964497.db2.gz HVXMVPUUQRTHAT-ZDUSSCGKSA-N 1 0 341.433 1.974 20 5 EDBDRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000525307529 447994758 /nfs/dbraw/zinc/99/47/58/447994758.db2.gz QGSSTEDASKXYAY-JTQLQIEISA-N 1 0 347.824 1.868 20 5 EDBDRO COc1ccc(C[N@@H+]2CC[C@H](CN3CCOC3=O)C2)cc1[N+](=O)[O-] ZINC000497215922 447968915 /nfs/dbraw/zinc/96/89/15/447968915.db2.gz TYHGWHFTYBLSFB-ZDUSSCGKSA-N 1 0 335.360 1.878 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C[C@H]21 ZINC000571779801 448205263 /nfs/dbraw/zinc/20/52/63/448205263.db2.gz UTPSXUPRXKYMAX-ZWKOPEQDSA-N 1 0 329.360 1.807 20 5 EDBDRO CC(C)(C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000514796105 448206153 /nfs/dbraw/zinc/20/61/53/448206153.db2.gz CIKQSYXJRAKAOC-GOSISDBHSA-N 1 0 347.415 1.445 20 5 EDBDRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)nc2)CC1 ZINC000532153589 448209691 /nfs/dbraw/zinc/20/96/91/448209691.db2.gz JOPJWMYVTIZNHM-UHFFFAOYSA-N 1 0 342.359 1.389 20 5 EDBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531885388 448166120 /nfs/dbraw/zinc/16/61/20/448166120.db2.gz UXGBLBLGWPWWPB-CQSZACIVSA-N 1 0 328.372 1.893 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N(C)CCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000591021626 448236136 /nfs/dbraw/zinc/23/61/36/448236136.db2.gz WDBMHWKIEVLLJL-UHFFFAOYSA-N 1 0 336.392 1.642 20 5 EDBDRO CC(=O)N1CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000582856892 448362800 /nfs/dbraw/zinc/36/28/00/448362800.db2.gz UJTPGNMSKOCPNN-UHFFFAOYSA-N 1 0 334.376 1.524 20 5 EDBDRO COCC1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000566179601 448405520 /nfs/dbraw/zinc/40/55/20/448405520.db2.gz RRUSITAOIRHLNH-UHFFFAOYSA-N 1 0 337.376 1.106 20 5 EDBDRO C[C@@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000516290745 448408861 /nfs/dbraw/zinc/40/88/61/448408861.db2.gz UTWKUFGHTQAKHI-ZWNOBZJWSA-N 1 0 328.394 1.176 20 5 EDBDRO NC(=O)c1ccc(CN2CCc3ccccc3[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000516292919 448409870 /nfs/dbraw/zinc/40/98/70/448409870.db2.gz LFGKRFCTCCJCEN-KRWDZBQOSA-N 1 0 340.383 1.752 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000577952321 448424617 /nfs/dbraw/zinc/42/46/17/448424617.db2.gz DBQMDUKOSXAVQM-HTQZYQBOSA-N 1 0 335.357 1.147 20 5 EDBDRO C[C@H](CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)C1CC[NH2+]CC1 ZINC000566249353 448430386 /nfs/dbraw/zinc/43/03/86/448430386.db2.gz UQOUGJCPFGPPNP-GFCCVEGCSA-N 1 0 332.404 1.900 20 5 EDBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000583449295 448434702 /nfs/dbraw/zinc/43/47/02/448434702.db2.gz GZJIANCXSWQXNR-GFCCVEGCSA-N 1 0 335.408 1.812 20 5 EDBDRO COc1ccc(CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000591669678 448441309 /nfs/dbraw/zinc/44/13/09/448441309.db2.gz URRJPWRRPWXGQT-JTQLQIEISA-N 1 0 329.303 1.464 20 5 EDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000566412443 448464371 /nfs/dbraw/zinc/46/43/71/448464371.db2.gz WCHWFJHEWKESEK-YPMHNXCESA-N 1 0 329.360 1.732 20 5 EDBDRO CN1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000591733994 448476534 /nfs/dbraw/zinc/47/65/34/448476534.db2.gz TWPDDBRWWJZKJQ-LBPRGKRZSA-N 1 0 327.406 1.052 20 5 EDBDRO CN(C)[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000516843358 448479030 /nfs/dbraw/zinc/47/90/30/448479030.db2.gz UMOXSOMVHRAZSZ-STQMWFEESA-N 1 0 339.421 1.106 20 5 EDBDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591744204 448480210 /nfs/dbraw/zinc/48/02/10/448480210.db2.gz CRPURRFBZJVAQD-DOMZBBRYSA-N 1 0 348.359 1.274 20 5 EDBDRO Cc1n[nH]cc1CCC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591771823 448488467 /nfs/dbraw/zinc/48/84/67/448488467.db2.gz UAMWMYWYHPTEQV-OAHLLOKOSA-N 1 0 334.376 1.588 20 5 EDBDRO O=C(c1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000584712782 448603936 /nfs/dbraw/zinc/60/39/36/448603936.db2.gz SYSMJRBCRBFKMT-UONOGXRCSA-N 1 0 344.415 1.877 20 5 EDBDRO COCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCc3c1cccc3[N+](=O)[O-])CC2 ZINC000518215742 448655336 /nfs/dbraw/zinc/65/53/36/448655336.db2.gz ZRJOGHIKHWMECI-RISCZKNCSA-N 1 0 343.387 1.925 20 5 EDBDRO O=C1[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]2CCCCN12 ZINC000573835423 448727304 /nfs/dbraw/zinc/72/73/04/448727304.db2.gz OPYXIQREPBTPIE-DUVNUKRYSA-N 1 0 349.387 1.078 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](CO)C1CCCCC1 ZINC000544118852 448753392 /nfs/dbraw/zinc/75/33/92/448753392.db2.gz GMZGOXFNTLSACK-CABCVRRESA-N 1 0 338.404 1.865 20 5 EDBDRO O=C(CC[NH2+]C[C@H](CO)[C@H]1CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000579474639 448802892 /nfs/dbraw/zinc/80/28/92/448802892.db2.gz GUINELWFBWBUAJ-QWHCGFSZSA-N 1 0 337.376 1.158 20 5 EDBDRO CC1([NH3+])CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000592380752 448812598 /nfs/dbraw/zinc/81/25/98/448812598.db2.gz XSDZSXFRAMGUJQ-UHFFFAOYSA-N 1 0 333.797 1.750 20 5 EDBDRO C[C@@]1(CO)CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000545398709 448794089 /nfs/dbraw/zinc/79/40/89/448794089.db2.gz ZYKAMWVNVRHQDE-INIZCTEOSA-N 1 0 335.360 1.740 20 5 EDBDRO CC1([NH3+])CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000592331606 448794240 /nfs/dbraw/zinc/79/42/40/448794240.db2.gz XYIBSBLTINRNQI-UHFFFAOYSA-N 1 0 329.360 1.734 20 5 EDBDRO CC[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592331678 448794670 /nfs/dbraw/zinc/79/46/70/448794670.db2.gz MZMWZEKMEPKQHU-DGCLKSJQSA-N 1 0 344.375 1.375 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)C1CCCCC1 ZINC000592429578 448831356 /nfs/dbraw/zinc/83/13/56/448831356.db2.gz OELHSTFIHMFTGP-GOEBONIOSA-N 1 0 338.404 1.865 20 5 EDBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000592430717 448832611 /nfs/dbraw/zinc/83/26/11/448832611.db2.gz CJDCQYRIVBYFQF-XRNSZHNASA-N 1 0 338.282 1.236 20 5 EDBDRO CC(C)[NH2+][C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1 ZINC000587630678 448839452 /nfs/dbraw/zinc/83/94/52/448839452.db2.gz XQRMSTRFPZHXLI-LBPRGKRZSA-N 1 0 347.419 1.752 20 5 EDBDRO [NH3+]C1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC000592482995 448855922 /nfs/dbraw/zinc/85/59/22/448855922.db2.gz QMWDGLVMJDFQLA-UHFFFAOYSA-N 1 0 340.383 1.619 20 5 EDBDRO [NH3+]C[C@H]1CCCn2ncc(C(=O)NCCc3ccc([N+](=O)[O-])cc3)c21 ZINC000592500692 448866489 /nfs/dbraw/zinc/86/64/89/448866489.db2.gz MCSMPKVJOTVRQF-CYBMUJFWSA-N 1 0 343.387 1.600 20 5 EDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000592487178 448858006 /nfs/dbraw/zinc/85/80/06/448858006.db2.gz QBTYEYUICCQRMM-SUMWQHHRSA-N 1 0 332.404 1.997 20 5 EDBDRO COc1ccc(CC(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000592569035 448905111 /nfs/dbraw/zinc/90/51/11/448905111.db2.gz WGTSDAHFNAGOAF-CYBMUJFWSA-N 1 0 333.388 1.937 20 5 EDBDRO CC(C)(C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)n1cc([N+](=O)[O-])cn1 ZINC000592538431 448887508 /nfs/dbraw/zinc/88/75/08/448887508.db2.gz RYLSIIWVKVKSGT-GXTWGEPZSA-N 1 0 335.408 1.517 20 5 EDBDRO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C2=O ZINC000574516427 448891510 /nfs/dbraw/zinc/89/15/10/448891510.db2.gz BPGHPKAKZNUFBO-LRDDRELGSA-N 1 0 332.360 1.534 20 5 EDBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588860502 448941525 /nfs/dbraw/zinc/94/15/25/448941525.db2.gz GLWJJXYQPLTCEJ-STQMWFEESA-N 1 0 344.371 1.357 20 5 EDBDRO COc1ccc(CC(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000521897902 449026264 /nfs/dbraw/zinc/02/62/64/449026264.db2.gz KZWAXTMPLIQUPU-UONOGXRCSA-N 1 0 333.388 1.841 20 5 EDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589508362 449026752 /nfs/dbraw/zinc/02/67/52/449026752.db2.gz JIYVQVJEJDCFGU-QWHCGFSZSA-N 1 0 335.360 1.386 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000589929580 449082876 /nfs/dbraw/zinc/08/28/76/449082876.db2.gz KOTPJCKOPJSQAG-WCQYABFASA-N 1 0 325.390 1.228 20 5 EDBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548388155 449037497 /nfs/dbraw/zinc/03/74/97/449037497.db2.gz OPCGTVPNJINCOP-VXGBXAGGSA-N 1 0 349.435 2.058 20 5 EDBDRO C[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1CCO ZINC000595706087 449126266 /nfs/dbraw/zinc/12/62/66/449126266.db2.gz XJRHGBFZEDGQBT-CJNGLKHVSA-N 1 0 347.415 1.967 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)[C@H]2C1 ZINC000590012822 449097851 /nfs/dbraw/zinc/09/78/51/449097851.db2.gz ZFOHESSJZRIQOC-OCCSQVGLSA-N 1 0 329.360 1.781 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000599900699 449105359 /nfs/dbraw/zinc/10/53/59/449105359.db2.gz UYSKXPRODQXRON-CALCHBBNSA-N 1 0 346.387 1.300 20 5 EDBDRO C[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1CCO ZINC000595701173 449124742 /nfs/dbraw/zinc/12/47/42/449124742.db2.gz QXBWHTBATKIDCX-UNEWFSDZSA-N 1 0 338.404 1.817 20 5 EDBDRO CCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H]1CC[N@H+](C)C1 ZINC000597945542 449154140 /nfs/dbraw/zinc/15/41/40/449154140.db2.gz HVVKMTPFTGMSHG-CYBMUJFWSA-N 1 0 343.387 1.947 20 5 EDBDRO O=C(C[NH2+][C@@H]1C[C@@H](O)C12CCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595780794 449162635 /nfs/dbraw/zinc/16/26/35/449162635.db2.gz IHPJCKPOZQXREK-HUUCEWRRSA-N 1 0 331.372 1.377 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000593733001 449168197 /nfs/dbraw/zinc/16/81/97/449168197.db2.gz SDEGEXWIORJMMQ-UHFFFAOYSA-N 1 0 343.405 1.271 20 5 EDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)C[C@H]21 ZINC000599992566 449141066 /nfs/dbraw/zinc/14/10/66/449141066.db2.gz WIRSJIFPZGLQBC-VIKVFOODSA-N 1 0 341.371 1.617 20 5 EDBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000590390430 449145064 /nfs/dbraw/zinc/14/50/64/449145064.db2.gz ZPBVUBJJSBJBJP-ZDUSSCGKSA-N 1 0 333.388 1.920 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000600006769 449146001 /nfs/dbraw/zinc/14/60/01/449146001.db2.gz FQEJKNQODBLDNS-UHFFFAOYSA-N 1 0 347.415 1.851 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000590399609 449148105 /nfs/dbraw/zinc/14/81/05/449148105.db2.gz KYLYWUNCRZSOAO-CABCVRRESA-N 1 0 337.351 1.669 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000590401461 449149068 /nfs/dbraw/zinc/14/90/68/449149068.db2.gz KQSULCAKHOECBP-GHMZBOCLSA-N 1 0 325.390 1.592 20 5 EDBDRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000597989280 449173311 /nfs/dbraw/zinc/17/33/11/449173311.db2.gz FCHIATRSHAYTNS-AWEZNQCLSA-N 1 0 344.371 1.420 20 5 EDBDRO CNc1c(C(=O)NCCN(C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000597990457 449174704 /nfs/dbraw/zinc/17/47/04/449174704.db2.gz WLXHCNLXQLTPRR-UHFFFAOYSA-N 1 0 337.424 1.250 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000590589912 449205616 /nfs/dbraw/zinc/20/56/16/449205616.db2.gz STGFCSZPUZGKAJ-DGCLKSJQSA-N 1 0 327.406 1.616 20 5 EDBDRO O=C(C[N@@H+]1CC[C@H]2COC[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595826926 449190518 /nfs/dbraw/zinc/19/05/18/449190518.db2.gz BDPLGQHLCZDFNG-UONOGXRCSA-N 1 0 331.372 1.452 20 5 EDBDRO COc1cc(CCNC(=O)[C@H]([NH3+])CC(C)C)c([N+](=O)[O-])cc1OC ZINC000604496096 449238901 /nfs/dbraw/zinc/23/89/01/449238901.db2.gz YPMVIOVPAOGZQF-GFCCVEGCSA-N 1 0 339.392 1.644 20 5 EDBDRO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611265616 449241879 /nfs/dbraw/zinc/24/18/79/449241879.db2.gz MPAHOWAKCKMZHG-LBPRGKRZSA-N 1 0 335.360 1.596 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000595916460 449252065 /nfs/dbraw/zinc/25/20/65/449252065.db2.gz UMPYZUFAMBQGPI-NSHDSACASA-N 1 0 329.360 1.667 20 5 EDBDRO COc1ccc(CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595920578 449254581 /nfs/dbraw/zinc/25/45/81/449254581.db2.gz VOIHPYLGLLNREQ-NSHDSACASA-N 1 0 345.359 1.333 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000604563739 449258522 /nfs/dbraw/zinc/25/85/22/449258522.db2.gz DNVIBEBPVRTARN-UHFFFAOYSA-N 1 0 327.344 1.656 20 5 EDBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1nnnn1C ZINC000611327770 449263542 /nfs/dbraw/zinc/26/35/42/449263542.db2.gz SWBGFCFMFHMVBZ-LLVKDONJSA-N 1 0 336.421 1.821 20 5 EDBDRO O=C(NCCC1CC[NH2+]CC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000593919005 449285950 /nfs/dbraw/zinc/28/59/50/449285950.db2.gz LVAZQKTWEOWFDR-UHFFFAOYSA-N 1 0 344.375 1.295 20 5 EDBDRO C[N@@H+]1CC[C@@H](CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000602032955 449288490 /nfs/dbraw/zinc/28/84/90/449288490.db2.gz BYBUGISHPLQSTB-AWEZNQCLSA-N 1 0 332.404 1.585 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598221484 449297449 /nfs/dbraw/zinc/29/74/49/449297449.db2.gz VZWJHYPXDMKKEH-CYBMUJFWSA-N 1 0 335.408 1.623 20 5 EDBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC(N2CC[C@@H](O)C2)C1 ZINC000593503340 449311889 /nfs/dbraw/zinc/31/18/89/449311889.db2.gz IGJZVFDRPKTXSK-SNVBAGLBSA-N 1 0 343.181 1.008 20 5 EDBDRO COc1cc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000611515876 449317958 /nfs/dbraw/zinc/31/79/58/449317958.db2.gz PSSNLKRJAWIEIX-GOEBONIOSA-N 1 0 335.404 1.634 20 5 EDBDRO O=C([C@@H]1CCC[NH2+]CC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593905255 449275893 /nfs/dbraw/zinc/27/58/93/449275893.db2.gz BMDKZTWWRAVVBT-OLZOCXBDSA-N 1 0 333.392 1.392 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595951799 449276708 /nfs/dbraw/zinc/27/67/08/449276708.db2.gz RSIHUPYEJMQHII-NEPJUHHUSA-N 1 0 340.428 1.317 20 5 EDBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)C1 ZINC000593911993 449280687 /nfs/dbraw/zinc/28/06/87/449280687.db2.gz LRRULESSYXVMCO-WOSRLPQWSA-N 1 0 333.388 1.953 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000593918033 449284605 /nfs/dbraw/zinc/28/46/05/449284605.db2.gz AABGQEKVYDYIML-MAZHCROVSA-N 1 0 348.403 1.799 20 5 EDBDRO C[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)[N@@H+]1CCc2ccccc2C1 ZINC000596077902 449352756 /nfs/dbraw/zinc/35/27/56/449352756.db2.gz ZKILJMRFNJISTO-GFCCVEGCSA-N 1 0 327.388 2.431 20 5 EDBDRO Nc1ccc(N2CCC(CC[NH+]3CCOCC3)CC2)nc1[N+](=O)[O-] ZINC000596098837 449361044 /nfs/dbraw/zinc/36/10/44/449361044.db2.gz URJVBYXUQIBNKQ-UHFFFAOYSA-N 1 0 335.408 1.511 20 5 EDBDRO CC(C)NC(=O)CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000611560267 449336779 /nfs/dbraw/zinc/33/67/79/449336779.db2.gz INAXEJNXSYOHKB-OAHLLOKOSA-N 1 0 331.376 1.532 20 5 EDBDRO CNc1nccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000594281982 449427342 /nfs/dbraw/zinc/42/73/42/449427342.db2.gz LOAGENBPWVFVCI-GFCCVEGCSA-N 1 0 333.392 1.732 20 5 EDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600529111 449427818 /nfs/dbraw/zinc/42/78/18/449427818.db2.gz WIFFQHBMBVKFST-WCQYABFASA-N 1 0 339.417 1.258 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000596262691 449444845 /nfs/dbraw/zinc/44/48/45/449444845.db2.gz AEVGJWWCZFNZJY-UHFFFAOYSA-N 1 0 337.424 1.451 20 5 EDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000594353707 449463934 /nfs/dbraw/zinc/46/39/34/449463934.db2.gz DAFWMLKRRFPQQZ-AWEZNQCLSA-N 1 0 341.383 1.485 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC(n3ccnc3)C2)c(C)c1[N+](=O)[O-] ZINC000598605440 449488648 /nfs/dbraw/zinc/48/86/48/449488648.db2.gz BZWIDPVRIRZPNO-UHFFFAOYSA-N 1 0 336.373 1.654 20 5 EDBDRO CC[C@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000598665250 449526884 /nfs/dbraw/zinc/52/68/84/449526884.db2.gz NUCIVWKFDWXAAN-SMDDNHRTSA-N 1 0 349.391 1.302 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000594474562 449540349 /nfs/dbraw/zinc/54/03/49/449540349.db2.gz IUKXQMYHILXZMV-XBXGTLAGSA-N 1 0 327.406 1.354 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000594476700 449541196 /nfs/dbraw/zinc/54/11/96/449541196.db2.gz XFYRBOULYPVDLR-XBXGTLAGSA-N 1 0 327.406 1.354 20 5 EDBDRO CC(C)[N@@H+]1CCO[C@@H](Cn2cc(-c3ccc([N+](=O)[O-])nc3)cn2)C1 ZINC000600789936 449546620 /nfs/dbraw/zinc/54/66/20/449546620.db2.gz UUNCHWHEONRUSH-OAHLLOKOSA-N 1 0 331.376 1.963 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)nc1 ZINC000594484592 449548413 /nfs/dbraw/zinc/54/84/13/449548413.db2.gz VHYLLRPHRPWSNT-STQMWFEESA-N 1 0 340.405 1.285 20 5 EDBDRO C[C@@H]1CN(CCNc2nc3sccn3c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596426865 449497376 /nfs/dbraw/zinc/49/73/76/449497376.db2.gz CHLXDLQSSGJDRZ-VHSXEESVSA-N 1 0 325.394 1.825 20 5 EDBDRO CC(C)[C@H]1C[NH2+]CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000600713763 449511956 /nfs/dbraw/zinc/51/19/56/449511956.db2.gz DZUGEUQXCWDBLD-MRXNPFEDSA-N 1 0 332.404 1.414 20 5 EDBDRO C[NH+](C)C1CC(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000600826183 449567328 /nfs/dbraw/zinc/56/73/28/449567328.db2.gz QQOVFHAOTMEYBX-UHFFFAOYSA-N 1 0 347.350 1.742 20 5 EDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCN1CCCS1(=O)=O ZINC000594503534 449558338 /nfs/dbraw/zinc/55/83/38/449558338.db2.gz XZWIRMGEDLWCHL-CQSZACIVSA-N 1 0 339.417 1.597 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598713847 449558696 /nfs/dbraw/zinc/55/86/96/449558696.db2.gz DOUHAEXSIVDYJO-NEPJUHHUSA-N 1 0 327.406 1.569 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2csc(N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)n2)cc1 ZINC000594604278 449590460 /nfs/dbraw/zinc/59/04/60/449590460.db2.gz VZFWPWMIYNEGAM-UONOGXRCSA-N 1 0 346.412 1.974 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602535054 449657462 /nfs/dbraw/zinc/65/74/62/449657462.db2.gz MFUMYPJUMVRMDU-CYBMUJFWSA-N 1 0 334.376 1.936 20 5 EDBDRO O=[N+]([O-])c1sc(C[NH2+]CC2(CO)COC2)cc1Br ZINC000602580200 449685662 /nfs/dbraw/zinc/68/56/62/449685662.db2.gz FAAYYYOCKDVXOM-UHFFFAOYSA-N 1 0 337.195 1.517 20 5 EDBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000600981417 449631726 /nfs/dbraw/zinc/63/17/26/449631726.db2.gz KOVJOMVXQMIHQB-TXEJJXNPSA-N 1 0 339.367 1.963 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000600993834 449639808 /nfs/dbraw/zinc/63/98/08/449639808.db2.gz OBSWCGGVYGVNLG-UHFFFAOYSA-N 1 0 331.376 1.625 20 5 EDBDRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915442 449645850 /nfs/dbraw/zinc/64/58/50/449645850.db2.gz LYWRLKDRIJWISH-UFBFGSQYSA-N 1 0 326.328 1.968 20 5 EDBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602598414 449696646 /nfs/dbraw/zinc/69/66/46/449696646.db2.gz YQJGHHAQUYZVAO-PHIMTYICSA-N 1 0 345.334 1.496 20 5 EDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)c21 ZINC000612444750 449709716 /nfs/dbraw/zinc/70/97/16/449709716.db2.gz MRGDUSINTSHHOU-HIFRSBDPSA-N 1 0 343.387 1.573 20 5 EDBDRO COc1c[nH+]ccc1N1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601158955 449724484 /nfs/dbraw/zinc/72/44/84/449724484.db2.gz GZXVNLIUPJDXTI-UHFFFAOYSA-N 1 0 333.323 1.859 20 5 EDBDRO COCC[N@H+](C)CCN1C[C@H](Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000601177924 449735222 /nfs/dbraw/zinc/73/52/22/449735222.db2.gz DWYURYSADIHYQP-CQSZACIVSA-N 1 0 336.392 1.186 20 5 EDBDRO Cn1cc(C[NH2+]C[C@@H]2COCCN2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599004257 449691984 /nfs/dbraw/zinc/69/19/84/449691984.db2.gz RMWQIQDSTIUCPD-MRXNPFEDSA-N 1 0 345.403 1.416 20 5 EDBDRO C[C@]1(CO)CN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@@]1(C)CO ZINC000599163297 449772431 /nfs/dbraw/zinc/77/24/31/449772431.db2.gz FZQQZTFXLFHXGA-CALCHBBNSA-N 1 0 331.372 1.960 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])s1 ZINC000601307766 449818129 /nfs/dbraw/zinc/81/81/29/449818129.db2.gz HBQLXZWTYAPRCE-MNOVXSKESA-N 1 0 345.446 1.870 20 5 EDBDRO O=[N+]([O-])c1ccc(CCNS(=O)(=O)CCC[NH+]2CCCC2)cc1 ZINC000601314772 449825251 /nfs/dbraw/zinc/82/52/51/449825251.db2.gz QHTYCIAXUNYKPX-UHFFFAOYSA-N 1 0 341.433 1.543 20 5 EDBDRO Cc1c(NC(=O)CCN[C@]23CCC[C@@H]2C[NH2+]C3)cccc1[N+](=O)[O-] ZINC000601328333 449836608 /nfs/dbraw/zinc/83/66/08/449836608.db2.gz MCHUBOHQTUWIQH-DYVFJYSZSA-N 1 0 332.404 1.964 20 5 EDBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1c(F)cccc1[N+](=O)[O-] ZINC000601345002 449854766 /nfs/dbraw/zinc/85/47/66/449854766.db2.gz KDVRDOIVVMDCNH-GFCCVEGCSA-N 1 0 339.367 1.701 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c([N+](=O)[O-])s1 ZINC000601344835 449855211 /nfs/dbraw/zinc/85/52/11/449855211.db2.gz GFCIULLPQXAWMI-MWLCHTKSSA-N 1 0 345.446 1.822 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601346853 449857338 /nfs/dbraw/zinc/85/73/38/449857338.db2.gz AHSICABMOFVLNJ-TXEJJXNPSA-N 1 0 325.390 1.337 20 5 EDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000595080402 449858715 /nfs/dbraw/zinc/85/87/15/449858715.db2.gz WINVCFFEDGBQTI-YOEHRIQHSA-N 1 0 338.404 1.674 20 5 EDBDRO Cc1cc(S(=O)(=O)NC2CCC([NH3+])CC2)c(C)cc1[N+](=O)[O-] ZINC000595106423 449872539 /nfs/dbraw/zinc/87/25/39/449872539.db2.gz WYASHAZHPLNQSS-UHFFFAOYSA-N 1 0 327.406 1.760 20 5 EDBDRO C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1CC[NH3+] ZINC000595114296 449877040 /nfs/dbraw/zinc/87/70/40/449877040.db2.gz VPJIVYKELNCRNR-CMPLNLGQSA-N 1 0 328.394 1.128 20 5 EDBDRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000614852895 449847419 /nfs/dbraw/zinc/84/74/19/449847419.db2.gz RJDJIBDPJRIFCN-CYBMUJFWSA-N 1 0 339.395 1.334 20 5 EDBDRO CO[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[C@@H]1CCOC1 ZINC000595060735 449852312 /nfs/dbraw/zinc/85/23/12/449852312.db2.gz ORGARXLZHQZJMQ-APIJFGDWSA-N 1 0 338.408 1.916 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(C)C)c(F)cc1[N+](=O)[O-] ZINC000601342899 449852590 /nfs/dbraw/zinc/85/25/90/449852590.db2.gz IQQKKEOCJUMXCT-CYBMUJFWSA-N 1 0 345.396 1.661 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000601422205 449940540 /nfs/dbraw/zinc/94/05/40/449940540.db2.gz PQTXEUKIEQCCET-GHMZBOCLSA-N 1 0 343.405 1.317 20 5 EDBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000609143475 449967709 /nfs/dbraw/zinc/96/77/09/449967709.db2.gz YXGUMZGZCJIGNW-UHFFFAOYSA-N 1 0 349.387 1.780 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC2([NH+](C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000601450333 449973427 /nfs/dbraw/zinc/97/34/27/449973427.db2.gz SBUGEURQFVJGBL-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000601465819 449989226 /nfs/dbraw/zinc/98/92/26/449989226.db2.gz ZNWOFBVTIJGCJF-SNVBAGLBSA-N 1 0 333.385 1.661 20 5 EDBDRO CC(C)[C@H]([NH3+])CCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000595275552 449994155 /nfs/dbraw/zinc/99/41/55/449994155.db2.gz OBVRBZHQJROLGB-MRXNPFEDSA-N 1 0 349.435 1.800 20 5 EDBDRO C[C@@H]1C[NH+](CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000595289394 450005606 /nfs/dbraw/zinc/00/56/06/450005606.db2.gz DHFPOVYXAAMDCJ-HZPDHXFCSA-N 1 0 348.447 1.826 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601560380 450073249 /nfs/dbraw/zinc/07/32/49/450073249.db2.gz WZIKFHGCQWPDDD-RISCZKNCSA-N 1 0 347.371 1.580 20 5 EDBDRO COc1cccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000618175661 450040986 /nfs/dbraw/zinc/04/09/86/450040986.db2.gz ZGGKLLOCMSXXTR-UHFFFAOYSA-N 1 0 342.355 1.961 20 5 EDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000597571372 450115438 /nfs/dbraw/zinc/11/54/38/450115438.db2.gz HKTXBXZRESXMDI-UHFFFAOYSA-N 1 0 341.314 1.974 20 5 EDBDRO CNc1ccc(C(=O)N2CC[C@H](N3CCC3)[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000597576698 450120279 /nfs/dbraw/zinc/12/02/79/450120279.db2.gz XTEQELNYFAHQMP-JSGCOSHPSA-N 1 0 336.367 1.895 20 5 EDBDRO CC(C)[C@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000595412536 450124300 /nfs/dbraw/zinc/12/43/00/450124300.db2.gz MTKDYFLTILBWSL-CYBMUJFWSA-N 1 0 327.406 1.354 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000610177407 450150395 /nfs/dbraw/zinc/15/03/95/450150395.db2.gz KEXLRLVJSMZEKY-SMDDNHRTSA-N 1 0 349.387 1.778 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H](CCO)C1 ZINC000610213831 450153641 /nfs/dbraw/zinc/15/36/41/450153641.db2.gz USEZOMPIRDVSJC-ZDUSSCGKSA-N 1 0 349.387 1.987 20 5 EDBDRO C[NH+]1CCC(CC(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)CC1 ZINC000601775621 450231909 /nfs/dbraw/zinc/23/19/09/450231909.db2.gz GOCMQECYMRQLJD-KRWDZBQOSA-N 1 0 335.404 1.650 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)CCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000610519074 450252149 /nfs/dbraw/zinc/25/21/49/450252149.db2.gz GWCWHFBCYUJTHS-UHFFFAOYSA-N 1 0 329.422 1.866 20 5 EDBDRO Cc1cnc(OCC(=O)NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000610541390 450257471 /nfs/dbraw/zinc/25/74/71/450257471.db2.gz FWSJEHYPSWOJQN-UHFFFAOYSA-N 1 0 334.376 1.420 20 5 EDBDRO C[C@@H]1CC[C@H](C[NH3+])N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000603431218 450300282 /nfs/dbraw/zinc/30/02/82/450300282.db2.gz FOJGVCPVEIVPQL-XJKCOSOUSA-N 1 0 346.431 1.932 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CC(C2CCOCC2)C1 ZINC000619706026 450311981 /nfs/dbraw/zinc/31/19/81/450311981.db2.gz GWUKULAOOVSNCG-HNNXBMFYSA-N 1 0 336.388 1.693 20 5 EDBDRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000130661557 534445260 /nfs/dbraw/zinc/44/52/60/534445260.db2.gz IHOOWMOXOZYJPV-UONOGXRCSA-N 1 0 346.387 1.118 20 5 EDBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000158985432 534573765 /nfs/dbraw/zinc/57/37/65/534573765.db2.gz ZPAUMKDGXYOXOK-ZDUSSCGKSA-N 1 0 329.360 1.712 20 5 EDBDRO CC(C)(C)[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000195351242 534667135 /nfs/dbraw/zinc/66/71/35/534667135.db2.gz IZIRLUPYNRGDMB-UHFFFAOYSA-N 1 0 336.392 1.136 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC(F)F ZINC000237268093 536504523 /nfs/dbraw/zinc/50/45/23/536504523.db2.gz VZHOAPIDCMYXTB-MRVPVSSYSA-N 1 0 345.302 1.687 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000186900176 528143754 /nfs/dbraw/zinc/14/37/54/528143754.db2.gz JNHAOKVWNIGMPA-VCTAVGKDSA-N 1 0 347.371 1.581 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1OC ZINC000153495347 528335520 /nfs/dbraw/zinc/33/55/20/528335520.db2.gz XVXPBPPKFDPQIB-QWRGUYRKSA-N 1 0 337.376 1.825 20 5 EDBDRO CCCc1n[nH]c(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000160041857 528545700 /nfs/dbraw/zinc/54/57/00/528545700.db2.gz NQUZWXZLZDOUDK-LLVKDONJSA-N 1 0 325.413 1.977 20 5 EDBDRO CC[N@@H+]1CCC[C@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000183529049 529092265 /nfs/dbraw/zinc/09/22/65/529092265.db2.gz BSDNECFRMDSYLM-AWEZNQCLSA-N 1 0 341.433 1.541 20 5 EDBDRO CC[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000174626779 529259996 /nfs/dbraw/zinc/25/99/96/529259996.db2.gz DTNFUONPSAGZAR-RIEFBQKVSA-N 1 0 347.415 1.912 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000345152070 535966962 /nfs/dbraw/zinc/96/69/62/535966962.db2.gz RMASZDOUTRGNMC-LLVKDONJSA-N 1 0 327.406 1.386 20 5 EDBDRO C[NH+](C)C[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000269866869 535974286 /nfs/dbraw/zinc/97/42/86/535974286.db2.gz LTSQHLVXHLPXCG-OAHLLOKOSA-N 1 0 338.364 1.276 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)[C@H](C)OC)cc1[N+](=O)[O-] ZINC000353132581 536476448 /nfs/dbraw/zinc/47/64/48/536476448.db2.gz WDFPZYGWDUUHRK-MNOVXSKESA-N 1 0 326.349 1.660 20 5 EDBDRO COc1cc(CN2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000261719884 536760386 /nfs/dbraw/zinc/76/03/86/536760386.db2.gz FQWMLYACIXQHLX-SECBINFHSA-N 1 0 331.319 1.999 20 5 EDBDRO C[C@@H]1C[C@H](C)[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000740881571 579388059 /nfs/dbraw/zinc/38/80/59/579388059.db2.gz BVPWEYLRUVZAKS-CABCVRRESA-N 1 0 346.431 1.974 20 5 EDBDRO C[NH+]1CCC(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000725728476 578278319 /nfs/dbraw/zinc/27/83/19/578278319.db2.gz KNSGHAMDZWNJQI-UHFFFAOYSA-N 1 0 331.376 1.403 20 5 EDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729496374 578577630 /nfs/dbraw/zinc/57/76/30/578577630.db2.gz ACSDZFGAYZVTBH-GJZGRUSLSA-N 1 0 334.376 1.257 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000730077934 578615822 /nfs/dbraw/zinc/61/58/22/578615822.db2.gz JNAOKIQLMLBBFB-AWEZNQCLSA-N 1 0 331.376 1.497 20 5 EDBDRO CC(C)OCC[NH+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000746391100 579591378 /nfs/dbraw/zinc/59/13/78/579591378.db2.gz VWSGYWWERYHVQK-UHFFFAOYSA-N 1 0 335.364 1.678 20 5 EDBDRO Cc1c(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000746883818 579614279 /nfs/dbraw/zinc/61/42/79/579614279.db2.gz VDLXKBAZXDCBFU-JTQLQIEISA-N 1 0 334.332 1.778 20 5 EDBDRO COC(=O)C[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000754516524 579905090 /nfs/dbraw/zinc/90/50/90/579905090.db2.gz KJXRNZDHRLOPEO-ZWNOBZJWSA-N 1 0 335.360 1.853 20 5 EDBDRO CCOc1cc(CN2CC[NH+](CCCCO)CC2)ccc1[N+](=O)[O-] ZINC000755062048 579919120 /nfs/dbraw/zinc/91/91/20/579919120.db2.gz BUMNGDBBJKHVQK-UHFFFAOYSA-N 1 0 337.420 1.884 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C1 ZINC000758470574 579983344 /nfs/dbraw/zinc/98/33/44/579983344.db2.gz BABNGEOHAUBBKB-CYBMUJFWSA-N 1 0 339.367 1.883 20 5 EDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000771398501 580285881 /nfs/dbraw/zinc/28/58/81/580285881.db2.gz UIVDWTAHPOSKEM-RYUDHWBXSA-N 1 0 331.376 1.496 20 5 EDBDRO Cn1cc(C[C@H]2CC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000776591273 580423074 /nfs/dbraw/zinc/42/30/74/580423074.db2.gz IRSMELSFZHNFTK-DYVFJYSZSA-N 1 0 330.388 1.926 20 5 EDBDRO CC(C)[C@H]1C[N@H+](C)CCN1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794634031 580900922 /nfs/dbraw/zinc/90/09/22/580900922.db2.gz QTIRQUNUFKGVOA-CYBMUJFWSA-N 1 0 334.376 1.732 20 5 EDBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000797418608 580975216 /nfs/dbraw/zinc/97/52/16/580975216.db2.gz ZIGMIMRJLKBIPN-KRWDZBQOSA-N 1 0 343.387 1.874 20 5 EDBDRO CCOC[C@@H](O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000801516377 581078849 /nfs/dbraw/zinc/07/88/49/581078849.db2.gz FLPJPECAEOQBHE-AWEZNQCLSA-N 1 0 341.383 1.249 20 5 EDBDRO Cn1c2ccccc2c(N2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1=O ZINC000892288113 590916575 /nfs/dbraw/zinc/91/65/75/590916575.db2.gz GKTCKTAQFJSAFU-LBPRGKRZSA-N 1 0 330.388 1.977 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000891753138 591210820 /nfs/dbraw/zinc/21/08/20/591210820.db2.gz SOOWXWFHCIGMPX-CQSZACIVSA-N 1 0 331.376 1.159 20 5 EDBDRO O=C(NCC[NH2+]C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841166549 591232276 /nfs/dbraw/zinc/23/22/76/591232276.db2.gz UXAMANOYOAZYDK-UHFFFAOYSA-N 1 0 326.740 1.055 20 5 EDBDRO Cn1c2ccccc2c(N2CC[N@H+](C)C(C)(C)C2)c([N+](=O)[O-])c1=O ZINC000894418039 591306865 /nfs/dbraw/zinc/30/68/65/591306865.db2.gz YWBAYEJJXDZVSX-UHFFFAOYSA-N 1 0 330.388 1.977 20 5 EDBDRO CC(C)(O)C[N@@H+]1CC[C@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC000894861755 591448550 /nfs/dbraw/zinc/44/85/50/591448550.db2.gz ADLXOSWGBXDRPT-LBPRGKRZSA-N 1 0 348.378 1.961 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000841226121 591459973 /nfs/dbraw/zinc/45/99/73/591459973.db2.gz SQFVUKPWNOTMPQ-RKDXNWHRSA-N 1 0 340.767 1.573 20 5 EDBDRO Cn1c2ccccc2c(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1=O ZINC000895021580 591527451 /nfs/dbraw/zinc/52/74/51/591527451.db2.gz HJBRZWNWDAOBGA-JSGCOSHPSA-N 1 0 342.399 1.977 20 5 EDBDRO C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1C[N@H+](C)CCN1C ZINC000896570868 591531908 /nfs/dbraw/zinc/53/19/08/591531908.db2.gz FWDAMOVDYXDJJP-BDJLRTHQSA-N 1 0 345.403 1.440 20 5 EDBDRO Cn1c2cc([N+](=O)[O-])c(N3C[C@H]4C[N@H+](C)C[C@@]4(C)C3)cc2n(C)c1=O ZINC000896912889 591677443 /nfs/dbraw/zinc/67/74/43/591677443.db2.gz ICILOXDNBCTDFY-DIFFPNOSSA-N 1 0 345.403 1.173 20 5 EDBDRO C[C@@H](CNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)C[NH+](C)C ZINC000899137773 591705735 /nfs/dbraw/zinc/70/57/35/591705735.db2.gz CSARJYXHCRMVAA-ZDUSSCGKSA-N 1 0 345.403 1.767 20 5 EDBDRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000895369000 591731173 /nfs/dbraw/zinc/73/11/73/591731173.db2.gz LYRYFMHXIKMLAE-UHFFFAOYSA-N 1 0 342.827 1.700 20 5 EDBDRO Cc1cc(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)cc([N+](=O)[O-])c1 ZINC000898121623 591789102 /nfs/dbraw/zinc/78/91/02/591789102.db2.gz SHNVKNFBIYKGQD-UHFFFAOYSA-N 1 0 347.415 1.870 20 5 EDBDRO O=[N+]([O-])c1ccccc1-c1cnn(CN2CCO[C@@H]3COCC[C@@H]32)c1 ZINC000902628683 592031368 /nfs/dbraw/zinc/03/13/68/592031368.db2.gz BQQNJEFISJIYCN-DLBZAZTESA-N 1 0 344.371 1.906 20 5 EDBDRO CN1CCOC[C@@]1(CO)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000903281673 592151607 /nfs/dbraw/zinc/15/16/07/592151607.db2.gz QKKSJBFLOPYVEP-WMZOPIPTSA-N 1 0 349.431 1.199 20 5 EDBDRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000903574243 592226331 /nfs/dbraw/zinc/22/63/31/592226331.db2.gz XTIBLZITUOUOMV-ZDUSSCGKSA-N 1 0 341.433 1.974 20 5 EDBDRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000903576030 592227100 /nfs/dbraw/zinc/22/71/00/592227100.db2.gz YXYQCCIVERPDIM-HNNXBMFYSA-N 1 0 341.433 1.541 20 5 EDBDRO C[N@@H+]1C[C@@H]2CN(Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C[C@]2(C)C1 ZINC000904437384 592257721 /nfs/dbraw/zinc/25/77/21/592257721.db2.gz REOKCZOYSBVWJA-PBHICJAKSA-N 1 0 342.403 1.694 20 5 EDBDRO [NH3+]C[C@]12CC[C@H]1CCN2CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000903855588 592347208 /nfs/dbraw/zinc/34/72/08/592347208.db2.gz OWUQJOBRMXTUHK-SUMWQHHRSA-N 1 0 330.388 1.297 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCC[C@@]23CC[NH2+]C3)cc1 ZINC000903869879 592353721 /nfs/dbraw/zinc/35/37/21/592353721.db2.gz JVPYOFWWWNDZEN-HNNXBMFYSA-N 1 0 339.417 1.196 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000905446296 592528217 /nfs/dbraw/zinc/52/82/17/592528217.db2.gz FOYMQJRSELLYEL-ZJUUUORDSA-N 1 0 344.236 1.776 20 5 EDBDRO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)O2)CO1 ZINC000905484140 592539435 /nfs/dbraw/zinc/53/94/35/592539435.db2.gz GNVWKVYDBFEQKV-VJUNAUMWSA-N 1 0 336.388 1.944 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000907193683 592553263 /nfs/dbraw/zinc/55/32/63/592553263.db2.gz SFSFCTBSHKTWPG-BDAKNGLRSA-N 1 0 326.784 1.995 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000905572922 592570591 /nfs/dbraw/zinc/57/05/91/592570591.db2.gz ROGAWSKPXZVMQX-YJNKXOJESA-N 1 0 334.372 1.515 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910282192 592819996 /nfs/dbraw/zinc/81/99/96/592819996.db2.gz DLIPMLHMIHVDHT-AWEZNQCLSA-N 1 0 334.420 1.974 20 5 EDBDRO C[NH+]1CCC(CCNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736850006 593041862 /nfs/dbraw/zinc/04/18/62/593041862.db2.gz XNHKKXBILJVYTA-UHFFFAOYSA-N 1 0 332.368 1.314 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](CCCO)Cc2ccccn2)cc1 ZINC000805754920 593137715 /nfs/dbraw/zinc/13/77/15/593137715.db2.gz IFRXSUXQCUAJQX-QGZVFWFLSA-N 1 0 331.372 1.908 20 5 EDBDRO CC(C)[N@@H+]1CCO[C@H](COC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000802141707 593223914 /nfs/dbraw/zinc/22/39/14/593223914.db2.gz LIUZDQUOVAKLQR-HNNXBMFYSA-N 1 0 338.360 1.626 20 5 EDBDRO O=C([C@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1)N1CCCC1 ZINC000808207533 593239584 /nfs/dbraw/zinc/23/95/84/593239584.db2.gz IKJIZJFZIONDMZ-AWEZNQCLSA-N 1 0 343.387 1.846 20 5 EDBDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000816567478 593531924 /nfs/dbraw/zinc/53/19/24/593531924.db2.gz BUTQKGXJRSDDBU-LLVKDONJSA-N 1 0 341.795 1.825 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2(N3CCCC3)CCOCC2)cc1 ZINC000819021613 593734261 /nfs/dbraw/zinc/73/42/61/593734261.db2.gz UINYRRXIGPLFCE-KRWDZBQOSA-N 1 0 349.431 1.863 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000819061417 593736670 /nfs/dbraw/zinc/73/66/70/593736670.db2.gz LLQJXWVUFTZQPC-QZTJIDSGSA-N 1 0 349.431 1.861 20 5 EDBDRO CN(C)[C@]1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000819130022 593740365 /nfs/dbraw/zinc/74/03/65/593740365.db2.gz DZHNHVRZZZKEDB-CABCVRRESA-N 1 0 325.434 1.655 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc1 ZINC000819176182 593743009 /nfs/dbraw/zinc/74/30/09/593743009.db2.gz HRDKPECUVMGNLC-ZBFHGGJFSA-N 1 0 336.388 1.946 20 5 EDBDRO CN(C)c1ccc(NC(=O)CC[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000819175979 593743012 /nfs/dbraw/zinc/74/30/12/593743012.db2.gz FOBZYDSOOWGUDL-UHFFFAOYSA-N 1 0 346.391 1.476 20 5 EDBDRO CC(C)[N@@H+]1CCC[C@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820133393 593793982 /nfs/dbraw/zinc/79/39/82/593793982.db2.gz QRTLNIJVQWEFLG-LLVKDONJSA-N 1 0 346.395 1.702 20 5 EDBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000820135150 593794161 /nfs/dbraw/zinc/79/41/61/593794161.db2.gz ZBKKSVYNKNVMET-LBPRGKRZSA-N 1 0 348.403 1.502 20 5 EDBDRO CC[NH+](CC)C[C@H]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821189741 593986120 /nfs/dbraw/zinc/98/61/20/593986120.db2.gz RVMMGMISZSOWSS-LLVKDONJSA-N 1 0 346.395 1.338 20 5 EDBDRO C[C@@H](CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)[NH+]1CCCCC1 ZINC000824407058 594004329 /nfs/dbraw/zinc/00/43/29/594004329.db2.gz UWNWFXSJIWYYFT-NSHDSACASA-N 1 0 346.395 1.846 20 5 EDBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000822190221 594005254 /nfs/dbraw/zinc/00/52/54/594005254.db2.gz ZMEXLWNHBXEDCJ-UHFFFAOYSA-N 1 0 338.339 1.470 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000825215316 594150073 /nfs/dbraw/zinc/15/00/73/594150073.db2.gz MDLLYTCJALOJIB-XHDPSFHLSA-N 1 0 329.360 1.155 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(C2C[C@H]3CCC[C@@H](C2)C3[NH3+])n1 ZINC000823087623 594151048 /nfs/dbraw/zinc/15/10/48/594151048.db2.gz CYTJVPRKHBJFNJ-IXBNRNDTSA-N 1 0 332.364 1.999 20 5 EDBDRO COCC[N@H+]1[C@H](C)CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000830070591 594329928 /nfs/dbraw/zinc/32/99/28/594329928.db2.gz WQCMXMSUQDTRQV-VBQJREDUSA-N 1 0 337.420 1.669 20 5 EDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826965916 594612671 /nfs/dbraw/zinc/61/26/71/594612671.db2.gz DUQZAXDEFGOIDW-CABCVRRESA-N 1 0 339.392 1.101 20 5 EDBDRO CCO[C@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000831731097 594697231 /nfs/dbraw/zinc/69/72/31/594697231.db2.gz LMNHSJHESDWKCF-CYBMUJFWSA-N 1 0 345.346 1.770 20 5 EDBDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841178151 594864156 /nfs/dbraw/zinc/86/41/56/594864156.db2.gz OIIFLSIGKMCEFC-SNVBAGLBSA-N 1 0 342.783 1.676 20 5 EDBDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000841193588 594866237 /nfs/dbraw/zinc/86/62/37/594866237.db2.gz BANUEHPWGBRRKM-SNVBAGLBSA-N 1 0 340.355 1.615 20 5 EDBDRO CC[N@H+](CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000102479655 594969051 /nfs/dbraw/zinc/96/90/51/594969051.db2.gz HSCODTZHAJBIEE-UHFFFAOYSA-N 1 0 327.356 1.959 20 5 EDBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000836948569 595016928 /nfs/dbraw/zinc/01/69/28/595016928.db2.gz RNXUVFCYYGTSFC-CQSZACIVSA-N 1 0 349.387 1.729 20 5 EDBDRO COc1ccc([C@H]2[C@@H](COC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[N@@H+]2C)cc1 ZINC000842305697 595072638 /nfs/dbraw/zinc/07/26/38/595072638.db2.gz AGVYEJNWVZPWQG-MIGQKNRLSA-N 1 0 334.372 1.896 20 5 EDBDRO C[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 ZINC000843339145 595080037 /nfs/dbraw/zinc/08/00/37/595080037.db2.gz QHJQXKQGCYBIQW-UHFFFAOYSA-N 1 0 336.348 1.883 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000843356287 595085928 /nfs/dbraw/zinc/08/59/28/595085928.db2.gz SSZPMXULITWWIJ-TVQRCGJNSA-N 1 0 342.783 1.235 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000845891669 595089785 /nfs/dbraw/zinc/08/97/85/595089785.db2.gz WRXWOQQSWVYRLL-MNOVXSKESA-N 1 0 328.394 1.141 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)cc([N+](=O)[O-])c1F ZINC000842483558 595119488 /nfs/dbraw/zinc/11/94/88/595119488.db2.gz MDMLRPVBKHRXCB-LBPRGKRZSA-N 1 0 345.396 1.709 20 5 EDBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842514034 595124667 /nfs/dbraw/zinc/12/46/67/595124667.db2.gz ZJMFDOZPLAANAW-QGZVFWFLSA-N 1 0 342.355 1.817 20 5 EDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843488179 595127489 /nfs/dbraw/zinc/12/74/89/595127489.db2.gz XGTRUHBHWJMHEH-RITPCOANSA-N 1 0 334.145 1.962 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC1([NH3+])CCC1 ZINC000842757738 595189777 /nfs/dbraw/zinc/18/97/77/595189777.db2.gz AMGUMNSHRKQOBM-UHFFFAOYSA-N 1 0 333.797 1.716 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2([C@H](O)c3ccccc3)CC2)c1 ZINC000843101645 595287688 /nfs/dbraw/zinc/28/76/88/595287688.db2.gz NTZWZHNHYUDUCT-JKSUJKDBSA-N 1 0 346.387 1.256 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c1 ZINC000843117596 595290828 /nfs/dbraw/zinc/29/08/28/595290828.db2.gz QZFSBENLLAPGGC-INMHGKMJSA-N 1 0 330.340 1.712 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000847183205 595373089 /nfs/dbraw/zinc/37/30/89/595373089.db2.gz DZICDVCAAYPJLA-VDISTLRHSA-N 1 0 331.376 1.401 20 5 EDBDRO C[C@H](CNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000848590354 595411461 /nfs/dbraw/zinc/41/14/61/595411461.db2.gz MCBPAEPVFSVLDG-SNVBAGLBSA-N 1 0 331.319 1.880 20 5 EDBDRO C[C@H](C[N@H+](C)CCn1ccc([N+](=O)[O-])n1)NC(=O)OC(C)(C)C ZINC000860093488 595575850 /nfs/dbraw/zinc/57/58/50/595575850.db2.gz CCTVLYAZNNPEIC-LLVKDONJSA-N 1 0 327.385 1.636 20 5 EDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857765441 595599731 /nfs/dbraw/zinc/59/97/31/595599731.db2.gz GRMYRAYMJNOFPL-UWVGGRQHSA-N 1 0 329.303 1.810 20 5 EDBDRO O=C(NCC[C@H]1CC[NH2+]C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764892 595600078 /nfs/dbraw/zinc/60/00/78/595600078.db2.gz DDYDVKJMXUDSIY-SNVBAGLBSA-N 1 0 329.303 1.682 20 5 EDBDRO C[C@H]1CN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000857765944 595600642 /nfs/dbraw/zinc/60/06/42/595600642.db2.gz VIFGVLYTLTUENF-JOYOIKCWSA-N 1 0 329.303 1.762 20 5 EDBDRO O=C(N1CC[C@@]2(CC[NH2+]C2)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857768114 595601544 /nfs/dbraw/zinc/60/15/44/595601544.db2.gz MUVBIHHJIARQAH-CQSZACIVSA-N 1 0 341.314 1.778 20 5 EDBDRO O=C(N1C[C@H]2C[NH2+]C[C@H]2C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857767777 595601746 /nfs/dbraw/zinc/60/17/46/595601746.db2.gz HKRQTIZDNDSVRD-AOOOYVTPSA-N 1 0 327.287 1.244 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000853082015 595659049 /nfs/dbraw/zinc/65/90/49/595659049.db2.gz AYRWAXXRVFQDKQ-GFCCVEGCSA-N 1 0 333.797 1.587 20 5 EDBDRO C[C@@H](CCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[NH+](C)C ZINC000855414809 595704596 /nfs/dbraw/zinc/70/45/96/595704596.db2.gz BTHHEIMLGCCVKW-XHDPSFHLSA-N 1 0 334.376 1.544 20 5 EDBDRO O=[N+]([O-])c1cn(CN2CC[C@@H]([NH+]3CC=CC3)C2)nc1-c1ccccn1 ZINC000853497610 595769292 /nfs/dbraw/zinc/76/92/92/595769292.db2.gz CRCDSDHRTUSPBG-CQSZACIVSA-N 1 0 340.387 1.757 20 5 EDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856253759 595936134 /nfs/dbraw/zinc/93/61/34/595936134.db2.gz FHVTYOOUVSMWCW-SVEBXFOSSA-N 1 0 345.399 1.666 20 5 EDBDRO CO[C@@H]1CC[C@H]([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000851847123 595945879 /nfs/dbraw/zinc/94/58/79/595945879.db2.gz ARNXUWBCBCIHIG-JKSUJKDBSA-N 1 0 333.388 1.920 20 5 EDBDRO C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[NH2+]1 ZINC000861524029 596014038 /nfs/dbraw/zinc/01/40/38/596014038.db2.gz QAODXSYAVVIRQJ-WPRPVWTQSA-N 1 0 340.767 1.443 20 5 EDBDRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)ccn1 ZINC000856623943 596037990 /nfs/dbraw/zinc/03/79/90/596037990.db2.gz DUYWHAZYUGVZGY-BZUAXINKSA-N 1 0 348.403 1.178 20 5 EDBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCOCC1 ZINC000852089688 596040015 /nfs/dbraw/zinc/04/00/15/596040015.db2.gz ISVXQORSONMQLX-UHFFFAOYSA-N 1 0 325.321 1.788 20 5 EDBDRO CO[C@H]1CC[C@@H]([NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000852094292 596042406 /nfs/dbraw/zinc/04/24/06/596042406.db2.gz XKQXHFSZEOHCAE-KGLIPLIRSA-N 1 0 333.388 1.920 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(N3CCOCC3)CC2)c1 ZINC000859353393 596061573 /nfs/dbraw/zinc/06/15/73/596061573.db2.gz CSCMMXVHMFVFNK-KRWDZBQOSA-N 1 0 335.404 1.425 20 5 EDBDRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C2 ZINC000857234417 596194399 /nfs/dbraw/zinc/19/43/99/596194399.db2.gz KFORFUBWXHQMBA-TVQRCGJNSA-N 1 0 329.353 1.236 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000866524719 596241800 /nfs/dbraw/zinc/24/18/00/596241800.db2.gz LYGXUGOEQWLNJM-LRDDRELGSA-N 1 0 335.360 1.775 20 5 EDBDRO O=C(CCN1CCC[C@@H]2[NH2+]CC[C@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000866724774 596311205 /nfs/dbraw/zinc/31/12/05/596311205.db2.gz OTMACLAGXNMONT-DZGCQCFKSA-N 1 0 336.367 1.889 20 5 EDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000120236633 596351011 /nfs/dbraw/zinc/35/10/11/596351011.db2.gz SEXZUNCCJYKZBB-UHFFFAOYSA-N 1 0 346.391 1.671 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+]CCC2(C)C)cc([N+](=O)[O-])c1F ZINC000866804031 596356152 /nfs/dbraw/zinc/35/61/52/596356152.db2.gz NPQNULDHIHWMED-UHFFFAOYSA-N 1 0 345.396 1.805 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c([N+](=O)[O-])s1 ZINC000866822896 596365973 /nfs/dbraw/zinc/36/59/73/596365973.db2.gz JGDSRBSBGOIABY-UWVGGRQHSA-N 1 0 331.419 1.480 20 5 EDBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC000866823923 596366615 /nfs/dbraw/zinc/36/66/15/596366615.db2.gz JVPYIKNTNGKJKW-GJZGRUSLSA-N 1 0 339.417 1.293 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c(C)cc1[N+](=O)[O-] ZINC000866824717 596366619 /nfs/dbraw/zinc/36/66/19/596366619.db2.gz UZYNCKJBWBRFOG-OLZOCXBDSA-N 1 0 339.417 1.727 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866827433 596368577 /nfs/dbraw/zinc/36/85/77/596368577.db2.gz MPZHFAKPMMDJRL-MNOVXSKESA-N 1 0 329.353 1.249 20 5 EDBDRO O=C(CC[NH2+]CC1CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000870866999 596383288 /nfs/dbraw/zinc/38/32/88/596383288.db2.gz XAHXHBPJOWPTAC-UHFFFAOYSA-N 1 0 332.404 1.633 20 5 EDBDRO C[C@@](N)(C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000870879794 596387440 /nfs/dbraw/zinc/38/74/40/596387440.db2.gz NVLKNENQWOVHIF-WBVHZDCISA-N 1 0 332.404 1.465 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000867525410 596414293 /nfs/dbraw/zinc/41/42/93/596414293.db2.gz SGORCXTZPFNSEV-RYUDHWBXSA-N 1 0 339.367 1.190 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1F ZINC000867541279 596423229 /nfs/dbraw/zinc/42/32/29/596423229.db2.gz WVYNYGJWPKDFFV-GFCCVEGCSA-N 1 0 345.396 1.661 20 5 EDBDRO C[N@@H+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCC1(C)C ZINC000871156082 596482580 /nfs/dbraw/zinc/48/25/80/596482580.db2.gz NBKZYJMMCUGOTJ-UHFFFAOYSA-N 1 0 335.360 1.880 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000867812736 596564788 /nfs/dbraw/zinc/56/47/88/596564788.db2.gz LUBRANTWCGSMEG-DOMZBBRYSA-N 1 0 339.417 1.618 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000867847543 596584102 /nfs/dbraw/zinc/58/41/02/596584102.db2.gz CCGZZSBCDARKBX-INIZCTEOSA-N 1 0 339.367 1.192 20 5 EDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000865485524 596588053 /nfs/dbraw/zinc/58/80/53/596588053.db2.gz RZJWNQZVFRMTMQ-BDAKNGLRSA-N 1 0 349.313 1.622 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000872218923 596840360 /nfs/dbraw/zinc/84/03/60/596840360.db2.gz BZHFOEYPCVSMQF-KXZQCOSOSA-N 1 0 334.372 1.348 20 5 EDBDRO O=C1CC2(CCOCC2)N(Cc2cc(F)ccc2[N+](=O)[O-])CCN1 ZINC000872288287 596868749 /nfs/dbraw/zinc/86/87/49/596868749.db2.gz XYNILEKTOKQLFU-UHFFFAOYSA-N 1 0 337.351 1.605 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000124322971 597142784 /nfs/dbraw/zinc/14/27/84/597142784.db2.gz PJHLCPIGNROLQJ-ZJUUUORDSA-N 1 0 331.369 1.482 20 5 EDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000124539777 597294649 /nfs/dbraw/zinc/29/46/49/597294649.db2.gz QNOQAFUNGHHEAG-KOLCDFICSA-N 1 0 331.369 1.530 20 5 EDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000876999006 597407861 /nfs/dbraw/zinc/40/78/61/597407861.db2.gz QDNNYFKEVXVZKX-CQSZACIVSA-N 1 0 325.340 1.569 20 5 EDBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)[C@H]2C1 ZINC000877535832 597532407 /nfs/dbraw/zinc/53/24/07/597532407.db2.gz GDKCZYGZHWGCMR-HMRWVHPASA-N 1 0 347.419 1.731 20 5 EDBDRO C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCN1c1cc[nH+]cc1 ZINC000881635510 597667366 /nfs/dbraw/zinc/66/73/66/597667366.db2.gz KCRDGGHSTNSHST-CYBMUJFWSA-N 1 0 344.375 1.314 20 5 EDBDRO C[C@]1(CO)CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000131585252 597722492 /nfs/dbraw/zinc/72/24/92/597722492.db2.gz JVAJKONUNUCGIL-OAHLLOKOSA-N 1 0 325.340 1.909 20 5 EDBDRO Cc1c(C(=O)NC2CC[NH+](C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000132334843 597828923 /nfs/dbraw/zinc/82/89/23/597828923.db2.gz JGCXQXLDXLBCNK-UHFFFAOYSA-N 1 0 336.348 1.944 20 5 EDBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@](C)(O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000133002751 597921683 /nfs/dbraw/zinc/92/16/83/597921683.db2.gz KCTOEHDYYJFMFW-CQSZACIVSA-N 1 0 342.352 1.028 20 5 EDBDRO CC1([NH+]2CCC2)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000880471222 597940433 /nfs/dbraw/zinc/94/04/33/597940433.db2.gz XKOZSZXMRDREFD-MRXNPFEDSA-N 1 0 349.431 1.895 20 5 EDBDRO Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@H+]3CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000880518981 597953647 /nfs/dbraw/zinc/95/36/47/597953647.db2.gz GXADSDSDRMYLTD-LQDVMPOASA-N 1 0 330.392 1.935 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000919636494 697308435 /nfs/dbraw/zinc/30/84/35/697308435.db2.gz WOKMGPGBWUWWFN-TZMCWYRMSA-N 1 0 336.392 1.676 20 5 EDBDRO COCC[NH+]1CCC(NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000920756347 697475535 /nfs/dbraw/zinc/47/55/35/697475535.db2.gz BQIQNYKYBBOHGD-UHFFFAOYSA-N 1 0 338.433 1.992 20 5 EDBDRO C[NH+]1CCC(CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000068329673 698523545 /nfs/dbraw/zinc/52/35/45/698523545.db2.gz USGGQROOZOPZGF-UHFFFAOYSA-N 1 0 335.360 1.244 20 5 EDBDRO CC(C)c1ocnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996429180 702783122 /nfs/dbraw/zinc/78/31/22/702783122.db2.gz LDVHYZFSFCLQOJ-TZMCWYRMSA-N 1 0 336.392 1.544 20 5 EDBDRO CC(C)(C(N)=O)C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000996686852 702984230 /nfs/dbraw/zinc/98/42/30/702984230.db2.gz LAXUSZLUDKFEHC-UHFFFAOYSA-N 1 0 348.403 1.187 20 5 EDBDRO COC(=O)[C@]12C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@H]1COCC2 ZINC000361456344 707457400 /nfs/dbraw/zinc/45/74/00/707457400.db2.gz HDZMLEMVKRYMTR-MEDUHNTESA-N 1 0 338.335 1.745 20 5 EDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CCOC2CCC2)CC1 ZINC001005381457 708812079 /nfs/dbraw/zinc/81/20/79/708812079.db2.gz KVNOVXRWNMQSOL-HUUCEWRRSA-N 1 0 325.409 1.144 20 5 EDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000173336125 230923903 /nfs/dbraw/zinc/92/39/03/230923903.db2.gz WEKAJNPOAUJJNM-GXTWGEPZSA-N 1 0 327.406 1.532 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C2CCCCC2)cc1 ZINC000174314132 231175217 /nfs/dbraw/zinc/17/52/17/231175217.db2.gz CUDLUQCMLDRIIU-UHFFFAOYSA-N 1 0 327.406 1.795 20 5 EDBDRO CC[C@@](C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc(C)cs1 ZINC000173939048 529506472 /nfs/dbraw/zinc/50/64/72/529506472.db2.gz BORYGNIGKWTMHL-GXTWGEPZSA-N 1 0 339.421 1.832 20 5 EDBDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000178000798 529603753 /nfs/dbraw/zinc/60/37/53/529603753.db2.gz OTDFNPUKVRORDF-AWEZNQCLSA-N 1 0 329.422 1.897 20 5 EDBDRO Cc1nn(C)c(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000098104833 219083643 /nfs/dbraw/zinc/08/36/43/219083643.db2.gz WDGXKZLNAWGLBQ-VXGBXAGGSA-N 1 0 337.424 1.735 20 5 EDBDRO COC[C@@](C)(CCO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000177409509 231885808 /nfs/dbraw/zinc/88/58/08/231885808.db2.gz LLWUCTVHMCRGSP-MRXNPFEDSA-N 1 0 339.392 1.609 20 5 EDBDRO C[N@@H+](Cc1ccc(Cl)nc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174583120 529985867 /nfs/dbraw/zinc/98/58/67/529985867.db2.gz HLNJALYMIHZDCO-LBPRGKRZSA-N 1 0 325.756 1.333 20 5 EDBDRO O=C(NCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccco1 ZINC000559983486 306260146 /nfs/dbraw/zinc/26/01/46/306260146.db2.gz IFVJDVLFLIQJJF-STQMWFEESA-N 1 0 347.375 1.888 20 5 EDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178077808 232075361 /nfs/dbraw/zinc/07/53/61/232075361.db2.gz RPZPXDRGXYNAOL-NFAHFFEMSA-N 1 0 345.399 1.789 20 5 EDBDRO COC(=O)[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000560823758 306279909 /nfs/dbraw/zinc/27/99/09/306279909.db2.gz OPUGLHUFPZFVER-LBPRGKRZSA-N 1 0 344.371 1.684 20 5 EDBDRO O=C(NCCC[NH+]1CCCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067246048 215127895 /nfs/dbraw/zinc/12/78/95/215127895.db2.gz SEONTJSYFDMFEU-UHFFFAOYSA-N 1 0 344.375 1.391 20 5 EDBDRO Cn1ccnc1C(=O)c1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000420233694 282740796 /nfs/dbraw/zinc/74/07/96/282740796.db2.gz AMFVBICIOJCWEL-BETUJISGSA-N 1 0 341.371 1.215 20 5 EDBDRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3csc([N+](=O)[O-])c3)C2)nn1 ZINC000563116575 306319072 /nfs/dbraw/zinc/31/90/72/306319072.db2.gz JITIZMYQYFVQJH-NSHDSACASA-N 1 0 336.377 1.184 20 5 EDBDRO Cc1cc(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000184328910 235368407 /nfs/dbraw/zinc/36/84/07/235368407.db2.gz RBQKOHAUCYOOEC-AWEZNQCLSA-N 1 0 334.420 1.659 20 5 EDBDRO Cc1ccc([C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)[NH+](C)C)cc1 ZINC000067267409 138184599 /nfs/dbraw/zinc/18/45/99/138184599.db2.gz KMVVCAPJBHABKE-AWEZNQCLSA-N 1 0 331.376 1.519 20 5 EDBDRO O=C(CC[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000089154918 138273459 /nfs/dbraw/zinc/27/34/59/138273459.db2.gz DBGIOQGFJXFFCH-JKSUJKDBSA-N 1 0 349.387 1.803 20 5 EDBDRO COC(=O)c1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c[nH]1 ZINC000093534652 138293779 /nfs/dbraw/zinc/29/37/79/138293779.db2.gz VFGMPXCHRKJDMW-LBPRGKRZSA-N 1 0 345.359 1.791 20 5 EDBDRO C[C@H]1C[C@H](C[NH3+])CN1c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000420223207 291122293 /nfs/dbraw/zinc/12/22/93/291122293.db2.gz ZPKPIVSHZBPBPN-DZGCQCFKSA-N 1 0 334.420 1.601 20 5 EDBDRO C[NH+](C)CCCC1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000189549667 237013659 /nfs/dbraw/zinc/01/36/59/237013659.db2.gz PRTXFBNFDVAMIG-UHFFFAOYSA-N 1 0 336.392 1.889 20 5 EDBDRO CNC(=O)c1ccc(N2CC[C@@H](OCC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000352051846 283479337 /nfs/dbraw/zinc/47/93/37/283479337.db2.gz FWAAPIBHNOAORL-CYBMUJFWSA-N 1 0 336.392 1.111 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H](O)Cn1ccnn1)C1CC1 ZINC000414172717 304104034 /nfs/dbraw/zinc/10/40/34/304104034.db2.gz FDSHNLPNYPIHFR-GJZGRUSLSA-N 1 0 331.376 1.158 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)c1C ZINC000566411707 306411899 /nfs/dbraw/zinc/41/18/99/306411899.db2.gz JCYPVMBXZJXPIW-PWSUYJOCSA-N 1 0 327.406 1.712 20 5 EDBDRO CC[NH+](CC)CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000109984889 220007894 /nfs/dbraw/zinc/00/78/94/220007894.db2.gz YEIOHYSGGRNJKR-UHFFFAOYSA-N 1 0 332.360 1.508 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC1=CC[NH2+]CC1 ZINC000193386999 138968105 /nfs/dbraw/zinc/96/81/05/138968105.db2.gz DYLJOWZWUXGPOV-UHFFFAOYSA-N 1 0 325.390 1.410 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)ccc1[N+](=O)[O-] ZINC000194773447 139000392 /nfs/dbraw/zinc/00/03/92/139000392.db2.gz GGLCESWNTWQXSY-ZDUSSCGKSA-N 1 0 327.406 1.699 20 5 EDBDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000235668964 139026236 /nfs/dbraw/zinc/02/62/36/139026236.db2.gz ALVHZYKJVQUENT-WCBMZHEXSA-N 1 0 333.797 1.667 20 5 EDBDRO C[NH2+]C1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000237152197 139042366 /nfs/dbraw/zinc/04/23/66/139042366.db2.gz SFRIOPSMCPVEFJ-UHFFFAOYSA-N 1 0 329.360 1.605 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000237243286 139045569 /nfs/dbraw/zinc/04/55/69/139045569.db2.gz CRXJWZBBJPVQHA-FUNVUKJBSA-N 1 0 339.417 1.807 20 5 EDBDRO COCC[NH2+]CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237291169 139046735 /nfs/dbraw/zinc/04/67/35/139046735.db2.gz ZGPRPBWZHXXLKT-SNVBAGLBSA-N 1 0 345.783 1.368 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C)C[NH2+]1 ZINC000237632309 139056436 /nfs/dbraw/zinc/05/64/36/139056436.db2.gz JJQLSGOOHHELGK-NXEZZACHSA-N 1 0 330.344 1.259 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000237668168 139057546 /nfs/dbraw/zinc/05/75/46/139057546.db2.gz XSKUNADPNSNNAN-LBPRGKRZSA-N 1 0 327.406 1.571 20 5 EDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237887611 139062848 /nfs/dbraw/zinc/06/28/48/139062848.db2.gz JHVYKDCKLXNIRD-HZMBPMFUSA-N 1 0 344.371 1.684 20 5 EDBDRO [NH3+][C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000237803910 139060829 /nfs/dbraw/zinc/06/08/29/139060829.db2.gz XQUASWHIFXULSS-QGZVFWFLSA-N 1 0 340.383 1.943 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)N1CC[NH+](C)CC1 ZINC000112079746 220239429 /nfs/dbraw/zinc/23/94/29/220239429.db2.gz QDLXNOUAUSGGFT-LBPRGKRZSA-N 1 0 335.408 1.002 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000246989622 139130006 /nfs/dbraw/zinc/13/00/06/139130006.db2.gz UZHOLVHXRKGFIZ-ZIAGYGMSSA-N 1 0 334.420 1.830 20 5 EDBDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000415384965 304210721 /nfs/dbraw/zinc/21/07/21/304210721.db2.gz ZNANAKBZQGNXMH-LBPRGKRZSA-N 1 0 334.376 1.361 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000415386734 304211397 /nfs/dbraw/zinc/21/13/97/304211397.db2.gz CCYZKFWDGSMHRY-LBPRGKRZSA-N 1 0 334.376 1.266 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)C[C@H]12 ZINC000248652966 139170330 /nfs/dbraw/zinc/17/03/30/139170330.db2.gz VMFWZFDNVWYHFA-BYCMXARLSA-N 1 0 341.371 1.590 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC000261624891 139212285 /nfs/dbraw/zinc/21/22/85/139212285.db2.gz GONQGFPTGDCGCQ-ZDUSSCGKSA-N 1 0 347.396 1.982 20 5 EDBDRO COCC[NH2+]CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000262163311 139256432 /nfs/dbraw/zinc/25/64/32/139256432.db2.gz SZPLHOOABSRJGD-UHFFFAOYSA-N 1 0 335.282 1.579 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000415573381 304228859 /nfs/dbraw/zinc/22/88/59/304228859.db2.gz CCDFLPWSJSHMAT-IACUBPJLSA-N 1 0 346.387 1.428 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417222050 251148512 /nfs/dbraw/zinc/14/85/12/251148512.db2.gz DSUOYGFRMCLGBY-GASCZTMLSA-N 1 0 332.404 1.778 20 5 EDBDRO NS(=O)(=O)c1ccc(NCC2([NH3+])CCCCC2)c([N+](=O)[O-])c1 ZINC000262432366 139278536 /nfs/dbraw/zinc/27/85/36/139278536.db2.gz GADZBERGOHNLNM-UHFFFAOYSA-N 1 0 328.394 1.316 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000415577450 304230567 /nfs/dbraw/zinc/23/05/67/304230567.db2.gz AIWZVCOYUWXEGM-YNEHKIRRSA-N 1 0 346.387 1.346 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000262548607 139285835 /nfs/dbraw/zinc/28/58/35/139285835.db2.gz SAAFMQUIIIPEQN-DGCLKSJQSA-N 1 0 325.390 1.276 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000420245479 251656940 /nfs/dbraw/zinc/65/69/40/251656940.db2.gz LXNCIGWCPBZUAS-JSGCOSHPSA-N 1 0 348.403 1.620 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262737288 139300157 /nfs/dbraw/zinc/30/01/57/139300157.db2.gz HNGFHKMCKQIQRW-ZJUUUORDSA-N 1 0 345.808 1.763 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000262753917 139301353 /nfs/dbraw/zinc/30/13/53/139301353.db2.gz HDLJSMGKOZXJMQ-KWQFWETISA-N 1 0 347.368 1.019 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000262763361 139301829 /nfs/dbraw/zinc/30/18/29/139301829.db2.gz KCPKLWMWHWVIFV-VXGBXAGGSA-N 1 0 327.406 1.488 20 5 EDBDRO CON1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000421391272 251844529 /nfs/dbraw/zinc/84/45/29/251844529.db2.gz AFGPMKPRHZHMSO-LBPRGKRZSA-N 1 0 336.392 1.927 20 5 EDBDRO COCC[NH2+]CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423322772 252045322 /nfs/dbraw/zinc/04/53/22/252045322.db2.gz GYDBNELBPOBNQC-HNNXBMFYSA-N 1 0 333.392 1.243 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCCO1 ZINC000424005550 252113065 /nfs/dbraw/zinc/11/30/65/252113065.db2.gz AJMZHOAMEARLII-ZDUSSCGKSA-N 1 0 334.376 1.359 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000424013956 252114161 /nfs/dbraw/zinc/11/41/61/252114161.db2.gz LDBCTDUUAHTELL-MBNYWOFBSA-N 1 0 348.403 1.156 20 5 EDBDRO COC(=O)c1cc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000424082455 252127280 /nfs/dbraw/zinc/12/72/80/252127280.db2.gz XJNWHVARWPJFPG-WDMOLILDSA-N 1 0 349.387 1.827 20 5 EDBDRO COc1ccnc(CN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000424310810 252194438 /nfs/dbraw/zinc/19/44/38/252194438.db2.gz SWLCXKPBZFQPKM-NSHDSACASA-N 1 0 345.359 1.900 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000415616729 304239937 /nfs/dbraw/zinc/23/99/37/304239937.db2.gz DTDZCZWCAKCCSM-BXKDBHETSA-N 1 0 334.376 1.264 20 5 EDBDRO CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@@H]1CCC[N@H+](C)C1 ZINC000153402168 224098654 /nfs/dbraw/zinc/09/86/54/224098654.db2.gz ROTRCOFMXWVFAJ-CQSZACIVSA-N 1 0 344.375 1.342 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C1CC([NH3+])C1 ZINC000449635571 299567773 /nfs/dbraw/zinc/56/77/73/299567773.db2.gz UKGJAYKJXNSBCK-PUSIOWJLSA-N 1 0 327.768 1.964 20 5 EDBDRO CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCC[N@H+](C)C1 ZINC000153487145 224111426 /nfs/dbraw/zinc/11/14/26/224111426.db2.gz LLBOBBNQXTVKAX-NSHDSACASA-N 1 0 325.340 1.665 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000153533249 224118790 /nfs/dbraw/zinc/11/87/90/224118790.db2.gz XOSRQBQDYKUJSH-LBPRGKRZSA-N 1 0 336.348 1.978 20 5 EDBDRO O=[N+]([O-])c1cccc(F)c1N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000342936606 285155674 /nfs/dbraw/zinc/15/56/74/285155674.db2.gz DCRHIJIKYXWJJH-UHFFFAOYSA-N 1 0 339.367 1.397 20 5 EDBDRO COc1ccc([C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000174704757 533131693 /nfs/dbraw/zinc/13/16/93/533131693.db2.gz BYASLXLABLUNSJ-WBVHZDCISA-N 1 0 346.387 1.902 20 5 EDBDRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000447584774 254624672 /nfs/dbraw/zinc/62/46/72/254624672.db2.gz HGYKLODSOGPPMO-QMIVOQANSA-N 1 0 347.419 1.874 20 5 EDBDRO COCC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000490079626 255078216 /nfs/dbraw/zinc/07/82/16/255078216.db2.gz KUXGNCGBHRVZQE-KBPBESRZSA-N 1 0 340.376 1.072 20 5 EDBDRO COC(=O)[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@H+](C)C1 ZINC000493460731 255209725 /nfs/dbraw/zinc/20/97/25/255209725.db2.gz MQMUJUQELLOBTD-GPAKFWEMSA-N 1 0 347.371 1.171 20 5 EDBDRO COCC(C)(C)C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000494030126 255232174 /nfs/dbraw/zinc/23/21/74/255232174.db2.gz ZGJHNPOZMXDYAG-UHFFFAOYSA-N 1 0 345.421 1.135 20 5 EDBDRO CC[C@@]1(O)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000495201693 255272779 /nfs/dbraw/zinc/27/27/79/255272779.db2.gz LHOICJSLISVBNJ-MRXNPFEDSA-N 1 0 337.376 1.779 20 5 EDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000118127142 221127177 /nfs/dbraw/zinc/12/71/77/221127177.db2.gz OYZXPJXDZGGDTK-AWEZNQCLSA-N 1 0 348.403 1.832 20 5 EDBDRO CC[N@H+](CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000118121444 221123014 /nfs/dbraw/zinc/12/30/14/221123014.db2.gz DNXYVZNZOIMIGC-UHFFFAOYSA-N 1 0 334.376 1.442 20 5 EDBDRO CC[NH+](CC)CCN(CCOC)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000264179900 139384831 /nfs/dbraw/zinc/38/48/31/139384831.db2.gz MNFJTDYELUATLT-UHFFFAOYSA-N 1 0 337.420 1.954 20 5 EDBDRO CC[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000570786972 306550744 /nfs/dbraw/zinc/55/07/44/306550744.db2.gz JFRRLHFXPJIWJV-TZMCWYRMSA-N 1 0 342.417 1.916 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000270257123 140068928 /nfs/dbraw/zinc/06/89/28/140068928.db2.gz RCIFLEIVZNKPIB-AWEZNQCLSA-N 1 0 335.408 1.290 20 5 EDBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH+](C)C ZINC000270434855 140099563 /nfs/dbraw/zinc/09/95/63/140099563.db2.gz GPPIABNHLVOWJK-CHWSQXEVSA-N 1 0 327.381 1.852 20 5 EDBDRO Cc1sc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000270726459 140156476 /nfs/dbraw/zinc/15/64/76/140156476.db2.gz XNECKKJHUPDKIB-LBPRGKRZSA-N 1 0 341.433 1.931 20 5 EDBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1O ZINC000270941961 140204079 /nfs/dbraw/zinc/20/40/79/140204079.db2.gz RQJGZVDPEMHQHW-SMDDNHRTSA-N 1 0 337.376 1.635 20 5 EDBDRO CC[NH+](CC)[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])CC(C)C ZINC000271409448 140292005 /nfs/dbraw/zinc/29/20/05/140292005.db2.gz OEWVUAFTKMJOAA-GFCCVEGCSA-N 1 0 325.413 1.815 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000271737390 140341709 /nfs/dbraw/zinc/34/17/09/140341709.db2.gz VLHDTAHBJCBDLR-OLZOCXBDSA-N 1 0 336.392 1.676 20 5 EDBDRO Cc1c(NC(=O)C(=O)NCC2=CC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000271895205 140368803 /nfs/dbraw/zinc/36/88/03/140368803.db2.gz NRUNNEAFSFXGLU-UHFFFAOYSA-N 1 0 332.360 1.220 20 5 EDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000272623097 140486593 /nfs/dbraw/zinc/48/65/93/140486593.db2.gz VBXXDCKNGDRPPT-NWDGAFQWSA-N 1 0 329.360 1.603 20 5 EDBDRO CS[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1[NH+](C)C ZINC000331527733 141043507 /nfs/dbraw/zinc/04/35/07/141043507.db2.gz QOARMHUYHUCDPC-KBPBESRZSA-N 1 0 335.433 1.949 20 5 EDBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000331753662 141076856 /nfs/dbraw/zinc/07/68/56/141076856.db2.gz LEOUMCRQKDYAQM-HZSPNIEDSA-N 1 0 335.408 1.655 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@]2(CCO)CCOC2)n1 ZINC000351526012 296518636 /nfs/dbraw/zinc/51/86/36/296518636.db2.gz VJWIVGXRSUNPIO-LZWOXQAQSA-N 1 0 338.408 1.654 20 5 EDBDRO CS(=O)(=O)C1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000572357318 306586544 /nfs/dbraw/zinc/58/65/44/306586544.db2.gz OVRGJMXKRAGMIZ-UHFFFAOYSA-N 1 0 341.389 1.090 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000346451164 143206152 /nfs/dbraw/zinc/20/61/52/143206152.db2.gz JJXXJRUFIRTWBS-CYBMUJFWSA-N 1 0 346.387 1.538 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000347317256 143307584 /nfs/dbraw/zinc/30/75/84/143307584.db2.gz JDVGFUGBJQRCMN-HZMBPMFUSA-N 1 0 334.336 1.304 20 5 EDBDRO CC[N@H+]1C[C@@H](C)N(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000347695843 143350919 /nfs/dbraw/zinc/35/09/19/143350919.db2.gz ALSHNXSPHWUGPT-QLFBSQMISA-N 1 0 337.420 1.749 20 5 EDBDRO CNS(=O)(=O)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000348087693 143399331 /nfs/dbraw/zinc/39/93/31/143399331.db2.gz QXFMHUDWCATPKT-UHFFFAOYSA-N 1 0 329.422 1.745 20 5 EDBDRO COc1cc(CCNC(=O)N(C)[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000416900033 304354585 /nfs/dbraw/zinc/35/45/85/304354585.db2.gz HPEUMMUVSWINBP-JTQLQIEISA-N 1 0 340.380 1.143 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000353017975 149255921 /nfs/dbraw/zinc/25/59/21/149255921.db2.gz DFHVZPGSEOKPJT-SECBINFHSA-N 1 0 329.303 1.755 20 5 EDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc2n[nH]cc2c1 ZINC000353286238 149351828 /nfs/dbraw/zinc/35/18/28/149351828.db2.gz KOJLEMXFJOLPEC-LLVKDONJSA-N 1 0 327.344 1.984 20 5 EDBDRO COC(=O)c1cn([C@H]2CC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000355029928 150082813 /nfs/dbraw/zinc/08/28/13/150082813.db2.gz CDSVSNGKMSGHEL-FZMZJTMJSA-N 1 0 345.359 1.981 20 5 EDBDRO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[NH+](C)CC1 ZINC000358024405 151237726 /nfs/dbraw/zinc/23/77/26/151237726.db2.gz KJFBFQRHKCTTIC-LBPRGKRZSA-N 1 0 346.387 1.707 20 5 EDBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000358036219 151242788 /nfs/dbraw/zinc/24/27/88/151242788.db2.gz KRRDKZDCSUEJMK-JSGCOSHPSA-N 1 0 341.433 1.978 20 5 EDBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360820704 152219410 /nfs/dbraw/zinc/21/94/10/152219410.db2.gz WMHZDMGQDRXDDD-QGZVFWFLSA-N 1 0 347.371 1.121 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000360845785 152227085 /nfs/dbraw/zinc/22/70/85/152227085.db2.gz BTFOTHLKJCYEER-PBHICJAKSA-N 1 0 346.431 1.693 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000360954780 152262786 /nfs/dbraw/zinc/26/27/86/152262786.db2.gz UKCHCKCUXZENMG-LBPRGKRZSA-N 1 0 337.424 1.809 20 5 EDBDRO COCC[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000361260372 152347283 /nfs/dbraw/zinc/34/72/83/152347283.db2.gz BSDZBCFSYCFQNC-LBPRGKRZSA-N 1 0 333.392 1.624 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000417175307 304380320 /nfs/dbraw/zinc/38/03/20/304380320.db2.gz IQEZOSYNCCECBR-RYUDHWBXSA-N 1 0 336.392 1.872 20 5 EDBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000363936048 153101464 /nfs/dbraw/zinc/10/14/64/153101464.db2.gz DPXBXMLIVBUZSX-NWDGAFQWSA-N 1 0 349.387 1.969 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000417236289 304386639 /nfs/dbraw/zinc/38/66/39/304386639.db2.gz TZNBSAGOVLZREH-NUEKZKHPSA-N 1 0 332.404 1.906 20 5 EDBDRO NC(=O)C[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000367990153 154356863 /nfs/dbraw/zinc/35/68/63/154356863.db2.gz TUZQOYMOGZYNCQ-SNVBAGLBSA-N 1 0 331.332 1.342 20 5 EDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCN(c3ncccn3)CC2)c1 ZINC000369329596 154978221 /nfs/dbraw/zinc/97/82/21/154978221.db2.gz MLMKRUGJYQWIJB-UHFFFAOYSA-N 1 0 343.387 1.976 20 5 EDBDRO CC(C)N1CCC[C@@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000369494395 155058464 /nfs/dbraw/zinc/05/84/64/155058464.db2.gz QANACBFNDMAPEL-CQSZACIVSA-N 1 0 335.408 1.828 20 5 EDBDRO O=C(CC[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000369515902 155066529 /nfs/dbraw/zinc/06/65/29/155066529.db2.gz KDLCKGJLKJDNFA-BXUZGUMPSA-N 1 0 332.360 1.134 20 5 EDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000369549090 155082217 /nfs/dbraw/zinc/08/22/17/155082217.db2.gz KZVGIUGFDUOOFN-UHFFFAOYSA-N 1 0 333.388 1.922 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000371689229 156064331 /nfs/dbraw/zinc/06/43/31/156064331.db2.gz NQVCJHSLUGHKOO-OAGGEKHMSA-N 1 0 349.431 1.893 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CC(Cc3cccc(F)c3)C2)c1 ZINC000372836892 156554316 /nfs/dbraw/zinc/55/43/16/156554316.db2.gz LOHGJTQEEQMRBR-MRXNPFEDSA-N 1 0 334.351 1.466 20 5 EDBDRO Cc1cc(N2CC[N@@H+](C[C@@H]3CN(C)CCO3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000374153085 157166750 /nfs/dbraw/zinc/16/67/50/157166750.db2.gz FBNUACZZZQVPKS-RDJZCZTQSA-N 1 0 348.447 1.744 20 5 EDBDRO COc1ccc(NC(=O)C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000374412099 157282120 /nfs/dbraw/zinc/28/21/20/157282120.db2.gz PTDDJWUDLHCJDB-QWHCGFSZSA-N 1 0 349.387 1.900 20 5 EDBDRO CN(CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000374625695 157349793 /nfs/dbraw/zinc/34/97/93/157349793.db2.gz CHMVNKHAXAXIDB-BFHYXJOUSA-N 1 0 332.404 1.617 20 5 EDBDRO O=C(Nc1cccnc1)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000378138498 158089295 /nfs/dbraw/zinc/08/92/95/158089295.db2.gz GARFARYDAHMGNW-UHFFFAOYSA-N 1 0 344.375 1.537 20 5 EDBDRO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC[N@@H+]1C[C@@H](C)O ZINC000352417913 162171720 /nfs/dbraw/zinc/17/17/20/162171720.db2.gz WBZCUOGPOFWCOM-UKRRQHHQSA-N 1 0 337.420 1.880 20 5 EDBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1cccc([N+](=O)[O-])c1 ZINC000171953585 227382231 /nfs/dbraw/zinc/38/22/31/227382231.db2.gz MTNLTTQIFLNAAU-OAHLLOKOSA-N 1 0 336.392 1.953 20 5 EDBDRO CC[NH+]1CCN(CCC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000194646702 273004532 /nfs/dbraw/zinc/00/45/32/273004532.db2.gz VYOYODZFBDAHLP-UHFFFAOYSA-N 1 0 349.435 1.151 20 5 EDBDRO COc1cc(C(=O)NCCC[NH2+]Cc2cccnc2)ccc1[N+](=O)[O-] ZINC000237253468 273008573 /nfs/dbraw/zinc/00/85/73/273008573.db2.gz FNRRGVFMXQMANY-UHFFFAOYSA-N 1 0 344.371 1.908 20 5 EDBDRO C[C@H]1C[NH+](CCCNC(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000173010841 267531576 /nfs/dbraw/zinc/53/15/76/267531576.db2.gz XPYGJPUYLMLTBA-KBPBESRZSA-N 1 0 335.404 1.753 20 5 EDBDRO CCN1CCCN(S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)CC1 ZINC000274712337 268189250 /nfs/dbraw/zinc/18/92/50/268189250.db2.gz YHMHRXRBAVSFLN-UHFFFAOYSA-N 1 0 345.396 1.759 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000274716952 268189910 /nfs/dbraw/zinc/18/99/10/268189910.db2.gz ASBQFIKZSRSZSA-GFCCVEGCSA-N 1 0 348.384 1.518 20 5 EDBDRO COc1ccc(NC(=O)C[N@H+](C)[C@H]2CC[C@H](O)CC2)c([N+](=O)[O-])c1 ZINC000275890943 268382100 /nfs/dbraw/zinc/38/21/00/268382100.db2.gz QFGJIWOAPYSORT-HAQNSBGRSA-N 1 0 337.376 1.777 20 5 EDBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000274194666 273076627 /nfs/dbraw/zinc/07/66/27/273076627.db2.gz IWMIWFQCANBFBQ-MBNYWOFBSA-N 1 0 340.376 1.512 20 5 EDBDRO CCN(CCC[NH+](C)C)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000276291460 273157913 /nfs/dbraw/zinc/15/79/13/273157913.db2.gz WXCHYAVTHFGFFX-UHFFFAOYSA-N 1 0 337.376 1.795 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000276950117 273171941 /nfs/dbraw/zinc/17/19/41/273171941.db2.gz BRBODGKUZNMMEA-LLVKDONJSA-N 1 0 342.421 1.163 20 5 EDBDRO NC(=O)[C@H]1CCCN1CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278902440 273269334 /nfs/dbraw/zinc/26/93/34/273269334.db2.gz ZNBKNSINGFHYLD-DLBZAZTESA-N 1 0 346.431 1.902 20 5 EDBDRO CN(C)c1cc(F)c(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000279112810 273280774 /nfs/dbraw/zinc/28/07/74/273280774.db2.gz CDILHFULYZLJRA-NSHDSACASA-N 1 0 338.383 1.824 20 5 EDBDRO CN1CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000284254956 274134959 /nfs/dbraw/zinc/13/49/59/274134959.db2.gz LSRNCNQBYATIOD-IKGGRYGDSA-N 1 0 345.403 1.187 20 5 EDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000284549333 274241354 /nfs/dbraw/zinc/24/13/54/274241354.db2.gz LJSKWCRXNUYALU-INIZCTEOSA-N 1 0 347.375 1.092 20 5 EDBDRO C[C@@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C[NH3+] ZINC000424024151 274299864 /nfs/dbraw/zinc/29/98/64/274299864.db2.gz WAISMDNSJKFUEG-OLZOCXBDSA-N 1 0 343.387 1.837 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@@H]12 ZINC000248591897 274959698 /nfs/dbraw/zinc/95/96/98/274959698.db2.gz HFYUSLHVCJEYHG-IQJOONFLSA-N 1 0 345.808 1.606 20 5 EDBDRO O=[N+]([O-])c1ccc2c(c1N1CC[NH+]([C@H]3CCC[C@H]3O)CC1)CCN2 ZINC000365551729 275038630 /nfs/dbraw/zinc/03/86/30/275038630.db2.gz UNKFNOSXNZUXPU-GOEBONIOSA-N 1 0 332.404 1.598 20 5 EDBDRO CC[NH+](CC)C[C@@H]1CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000189329375 276106699 /nfs/dbraw/zinc/10/66/99/276106699.db2.gz RHTVDXIVOUTAPR-LBPRGKRZSA-N 1 0 336.392 1.945 20 5 EDBDRO CCOC(=O)c1ccnc(N2CCC([NH2+]C3CC3)CC2)c1[N+](=O)[O-] ZINC000157296507 276445422 /nfs/dbraw/zinc/44/54/22/276445422.db2.gz MZCQVKUMHIIUHK-UHFFFAOYSA-N 1 0 334.376 1.887 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000364914371 276785853 /nfs/dbraw/zinc/78/58/53/276785853.db2.gz IXVBHENVMLLOTQ-XFBWCDHKSA-N 1 0 348.403 1.501 20 5 EDBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286429463 288003966 /nfs/dbraw/zinc/00/39/66/288003966.db2.gz BOILCROVVPLRLC-HNNXBMFYSA-N 1 0 333.436 1.783 20 5 EDBDRO C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000272058371 278329705 /nfs/dbraw/zinc/32/97/05/278329705.db2.gz BQMFRBSNOIZLFJ-OLZOCXBDSA-N 1 0 348.403 1.182 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000286720153 288069852 /nfs/dbraw/zinc/06/98/52/288069852.db2.gz DZKNREFRQVFZIA-NXEZZACHSA-N 1 0 337.405 1.491 20 5 EDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269212742 279634113 /nfs/dbraw/zinc/63/41/13/279634113.db2.gz PTBDQLAMJFTLOC-AWEZNQCLSA-N 1 0 334.376 1.055 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000374086240 280395757 /nfs/dbraw/zinc/39/57/57/280395757.db2.gz YGCINBNWVQXTGC-STQMWFEESA-N 1 0 339.417 1.584 20 5 EDBDRO C[C@@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C[C@@H](C)[NH+]1C ZINC000338794167 288257306 /nfs/dbraw/zinc/25/73/06/288257306.db2.gz KVDKARVGTKBVEG-HUUCEWRRSA-N 1 0 348.447 1.956 20 5 EDBDRO C[NH+](C)C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000288347413 288465250 /nfs/dbraw/zinc/46/52/50/288465250.db2.gz VZZLGCOKHYAONY-HNNXBMFYSA-N 1 0 349.366 1.740 20 5 EDBDRO C[C@@H](CCCC[NH3+])NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000291992116 289233803 /nfs/dbraw/zinc/23/38/03/289233803.db2.gz BIFDGRWREKTQPT-RYUDHWBXSA-N 1 0 336.392 1.347 20 5 EDBDRO CN(CC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000292097850 289260705 /nfs/dbraw/zinc/26/07/05/289260705.db2.gz DTCFEJYZMBPJMP-QGZVFWFLSA-N 1 0 332.404 1.585 20 5 EDBDRO COc1cc(OCC(=O)N[C@H](C)CCCC[NH3+])ccc1[N+](=O)[O-] ZINC000292221605 289292214 /nfs/dbraw/zinc/29/22/14/289292214.db2.gz ZTDFMGWZOSHILG-LLVKDONJSA-N 1 0 325.365 1.616 20 5 EDBDRO COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000423946270 294935478 /nfs/dbraw/zinc/93/54/78/294935478.db2.gz INHQELNSDOLBJJ-VXNVDRBHSA-N 1 0 345.302 1.624 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@@H]12 ZINC000351476536 295323245 /nfs/dbraw/zinc/32/32/45/295323245.db2.gz LAHOEYFIZSAGOT-NWANDNLSSA-N 1 0 330.388 1.153 20 5 EDBDRO [NH3+][C@H]1CCC[C@@]12CCN(S(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000364203946 295336640 /nfs/dbraw/zinc/33/66/40/295336640.db2.gz ZUPONOACJZAATI-KBPBESRZSA-N 1 0 325.390 1.487 20 5 EDBDRO [NH3+]C[C@@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CCCC1 ZINC000418631264 304521744 /nfs/dbraw/zinc/52/17/44/304521744.db2.gz XYAOEULXJZMMPX-MRXNPFEDSA-N 1 0 348.403 1.885 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000419240191 304579855 /nfs/dbraw/zinc/57/98/55/304579855.db2.gz BDYZCNPSXJVYEO-OBJOEFQTSA-N 1 0 348.403 1.337 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000193285805 301551072 /nfs/dbraw/zinc/55/10/72/301551072.db2.gz HXQZOSHMGCFFAO-CHWSQXEVSA-N 1 0 341.433 1.960 20 5 EDBDRO COc1ccc(NC(=O)CN2CCC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420389610 304754240 /nfs/dbraw/zinc/75/42/40/304754240.db2.gz XSFPRHZZENQODU-KRWDZBQOSA-N 1 0 348.403 1.617 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000420424618 304756757 /nfs/dbraw/zinc/75/67/57/304756757.db2.gz SRFAMLHBARNLMW-CYBMUJFWSA-N 1 0 341.433 1.446 20 5 EDBDRO Cc1ccc(NCCCNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000417715308 301646569 /nfs/dbraw/zinc/64/65/69/301646569.db2.gz JSXVXJLADRCDBP-OKILXGFUSA-N 1 0 347.419 1.566 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000420451741 304760731 /nfs/dbraw/zinc/76/07/31/304760731.db2.gz VZZVIOGIIKNQMF-GFCCVEGCSA-N 1 0 327.406 1.714 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000264655049 302043502 /nfs/dbraw/zinc/04/35/02/302043502.db2.gz ZEWBAQOJFJKATB-LBPRGKRZSA-N 1 0 327.406 1.618 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000261863914 302047867 /nfs/dbraw/zinc/04/78/67/302047867.db2.gz GJDDAEBYUXRSPJ-RYUDHWBXSA-N 1 0 327.406 1.570 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000360653045 302048624 /nfs/dbraw/zinc/04/86/24/302048624.db2.gz NTMLZHMLVSKLNV-VXGBXAGGSA-N 1 0 327.406 1.664 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000366356273 302049869 /nfs/dbraw/zinc/04/98/69/302049869.db2.gz GQIWXOPRZBQXRD-LBPRGKRZSA-N 1 0 325.390 1.324 20 5 EDBDRO COc1cc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000295397206 303213890 /nfs/dbraw/zinc/21/38/90/303213890.db2.gz UGYLJUGKSZQUHS-JTQLQIEISA-N 1 0 325.340 1.909 20 5 EDBDRO Cc1nc(NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)ncc1[N+](=O)[O-] ZINC000295467834 303223879 /nfs/dbraw/zinc/22/38/79/303223879.db2.gz ILGOOJJWRLYUNU-LBPRGKRZSA-N 1 0 336.396 1.048 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000295612033 303241562 /nfs/dbraw/zinc/24/15/62/303241562.db2.gz DGKNIRIKBKGEND-UHFFFAOYSA-N 1 0 335.404 1.774 20 5 EDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000295634710 303245145 /nfs/dbraw/zinc/24/51/45/303245145.db2.gz ALPNGQNQTXKUAP-HVHJFMEUSA-N 1 0 333.388 1.571 20 5 EDBDRO CC[C@@H](CO)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000295813355 303270866 /nfs/dbraw/zinc/27/08/66/303270866.db2.gz XCCRNYKUZPBBCF-NSHDSACASA-N 1 0 325.365 1.635 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000296003349 303288715 /nfs/dbraw/zinc/28/87/15/303288715.db2.gz MZXBBUXWWNBTTH-BMFZPTHFSA-N 1 0 333.388 1.694 20 5 EDBDRO C[C@H]1CN(c2ccccc2C[NH2+]CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000297594469 303417683 /nfs/dbraw/zinc/41/76/83/303417683.db2.gz JLLLKAGZFWMCDY-AWEZNQCLSA-N 1 0 345.403 1.806 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000262546895 304799728 /nfs/dbraw/zinc/79/97/28/304799728.db2.gz RVTNYXBZHHLIQZ-MWLCHTKSSA-N 1 0 345.808 1.621 20 5 EDBDRO CC(C)(C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H]([NH3+])c1ccccc1 ZINC000423916535 304915846 /nfs/dbraw/zinc/91/58/46/304915846.db2.gz ZAMUKMBKKBNJQW-CQSZACIVSA-N 1 0 331.376 1.634 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423986873 304922703 /nfs/dbraw/zinc/92/27/03/304922703.db2.gz YKRDGOAKAPLKGB-HIFRSBDPSA-N 1 0 332.404 1.997 20 5 EDBDRO CCCC[C@@H](C[NH3+])NC(=O)[C@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000429611594 305033064 /nfs/dbraw/zinc/03/30/64/305033064.db2.gz OHPZMLOQDRYBMU-RYUDHWBXSA-N 1 0 340.428 1.461 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430618424 305059331 /nfs/dbraw/zinc/05/93/31/305059331.db2.gz UDLRFHCBOYMPNY-LBPRGKRZSA-N 1 0 336.392 1.473 20 5 EDBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000430834532 305065406 /nfs/dbraw/zinc/06/54/06/305065406.db2.gz XUTZECORIYBWQK-KBPBESRZSA-N 1 0 337.424 1.808 20 5 EDBDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000433977509 305116325 /nfs/dbraw/zinc/11/63/25/305116325.db2.gz UVZAEGQTBYANNF-WBVHZDCISA-N 1 0 343.387 1.921 20 5 EDBDRO CCOc1ccc(NC(=O)CN(C2CC2)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000435236277 305137553 /nfs/dbraw/zinc/13/75/53/305137553.db2.gz IILVEDKMKNAFGY-CYBMUJFWSA-N 1 0 348.403 1.758 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000440823098 305212953 /nfs/dbraw/zinc/21/29/53/305212953.db2.gz CZQHSNXLTPJAMC-NEPJUHHUSA-N 1 0 327.406 1.569 20 5 EDBDRO COc1cccc(C(=O)NC[C@]2([NH+](C)C)CCSC2)c1[N+](=O)[O-] ZINC000444281113 305245209 /nfs/dbraw/zinc/24/52/09/305245209.db2.gz LIZWIDIEEDQWGV-OAHLLOKOSA-N 1 0 339.417 1.771 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000447507879 305280866 /nfs/dbraw/zinc/28/08/66/305280866.db2.gz JAMKCADPBZXYTM-JQWIXIFHSA-N 1 0 335.360 1.165 20 5 EDBDRO CC[C@@H]([NH3+])CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000449610238 305315406 /nfs/dbraw/zinc/31/54/06/305315406.db2.gz PXJORPVISQYVPY-SECBINFHSA-N 1 0 330.182 1.753 20 5 EDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000449701878 305317527 /nfs/dbraw/zinc/31/75/27/305317527.db2.gz CPWSKRCYFXHMGY-AAEUAGOBSA-N 1 0 339.417 1.570 20 5 EDBDRO COc1cc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000451301715 305337529 /nfs/dbraw/zinc/33/75/29/305337529.db2.gz JJZZYEGFNPVFBC-LZWOXQAQSA-N 1 0 336.388 1.965 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451424864 305345356 /nfs/dbraw/zinc/34/53/56/305345356.db2.gz GOECHVRYFNWFGH-HNNXBMFYSA-N 1 0 343.330 1.934 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451630449 305357500 /nfs/dbraw/zinc/35/75/00/305357500.db2.gz LQRLSJLAUJKVGW-SLEUVZQESA-N 1 0 348.403 1.566 20 5 EDBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H]2COCC2(C)C)c([N+](=O)[O-])c1 ZINC000451808834 305370540 /nfs/dbraw/zinc/37/05/40/305370540.db2.gz KRQVLDVLZARICR-QMTHXVAHSA-N 1 0 337.376 1.945 20 5 EDBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000452343375 305390188 /nfs/dbraw/zinc/39/01/88/305390188.db2.gz AXOGUYCKUWMBGK-GFCCVEGCSA-N 1 0 347.375 1.048 20 5 EDBDRO COc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000452347728 305391187 /nfs/dbraw/zinc/39/11/87/305391187.db2.gz JONCHWPFMUVQOG-CYBMUJFWSA-N 1 0 337.376 1.180 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@H]1CCC[N@H+]1CCCO ZINC000452365123 305393218 /nfs/dbraw/zinc/39/32/18/305393218.db2.gz NIYNKXVSLSEHHY-CQSZACIVSA-N 1 0 339.367 1.239 20 5 EDBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1ccc([N+](=O)[O-])cc1F ZINC000452388180 305397031 /nfs/dbraw/zinc/39/70/31/305397031.db2.gz JDGVJBLVVHEPKC-GFCCVEGCSA-N 1 0 325.340 1.311 20 5 EDBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456017843 305450034 /nfs/dbraw/zinc/45/00/34/305450034.db2.gz DNUVBBIQDOZEHN-UHFFFAOYSA-N 1 0 335.408 1.980 20 5 EDBDRO C[NH+](C)CC(C)(C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000457200100 305484289 /nfs/dbraw/zinc/48/42/89/305484289.db2.gz DKGNBPOAILVCKO-UHFFFAOYSA-N 1 0 337.376 1.365 20 5 EDBDRO CCn1nc(C)c(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1C ZINC000515467280 305722560 /nfs/dbraw/zinc/72/25/60/305722560.db2.gz WJSLMEWPJNHLOS-CQSZACIVSA-N 1 0 348.403 1.958 20 5 EDBDRO COc1ccc(CC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000516288674 305736089 /nfs/dbraw/zinc/73/60/89/305736089.db2.gz SCQGVXQGWYLFBW-UONOGXRCSA-N 1 0 333.388 1.650 20 5 EDBDRO C[C@H](C[NH+]1CCCCC1)Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000531149555 305954019 /nfs/dbraw/zinc/95/40/19/305954019.db2.gz SPIIKLSBCTUJKY-LLVKDONJSA-N 1 0 342.421 1.529 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000532216063 305976844 /nfs/dbraw/zinc/97/68/44/305976844.db2.gz RQOZTGZOWPCILF-AWEZNQCLSA-N 1 0 334.420 1.718 20 5 EDBDRO COC[C@]1(CNCc2cc(OC)c(OC)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000414943787 447367621 /nfs/dbraw/zinc/36/76/21/447367621.db2.gz MROIKWHQDCYWHS-MRXNPFEDSA-N 1 0 339.392 1.470 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000548523261 306130384 /nfs/dbraw/zinc/13/03/84/306130384.db2.gz RWTNMSVJSZNFKT-CYBMUJFWSA-N 1 0 336.392 1.567 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[NH+]2CCC1CC2 ZINC000551652233 306159292 /nfs/dbraw/zinc/15/92/92/306159292.db2.gz GARKYLHRLKBGMX-UHFFFAOYSA-N 1 0 334.376 1.463 20 5 EDBDRO CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1(C[NH3+])CCC1 ZINC000449676721 447384291 /nfs/dbraw/zinc/38/42/91/447384291.db2.gz JHBYHHVPNLBTIG-UHFFFAOYSA-N 1 0 329.360 1.734 20 5 EDBDRO COC[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000449918680 447411083 /nfs/dbraw/zinc/41/10/83/447411083.db2.gz JKJVXBFJSQRVLJ-LBPRGKRZSA-N 1 0 330.344 1.889 20 5 EDBDRO CCOc1ccc(C(=O)NCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000456587699 447418591 /nfs/dbraw/zinc/41/85/91/447418591.db2.gz NESSNQYAPMTURR-UHFFFAOYSA-N 1 0 337.376 1.180 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000104747972 441204209 /nfs/dbraw/zinc/20/42/09/441204209.db2.gz JUQKXWCSUBMPBW-GFCCVEGCSA-N 1 0 327.406 1.475 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000080961628 441212359 /nfs/dbraw/zinc/21/23/59/441212359.db2.gz VNQSYZVAIYXKJT-ZFWWWQNUSA-N 1 0 346.387 1.937 20 5 EDBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCC[NH+]1CCCCC1 ZINC000072781894 441258378 /nfs/dbraw/zinc/25/83/78/441258378.db2.gz MFQWLLXPYKMZMO-UHFFFAOYSA-N 1 0 348.403 1.317 20 5 EDBDRO CC[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000105790774 441270078 /nfs/dbraw/zinc/27/00/78/441270078.db2.gz JDBAPQVVYLDNNZ-MNOVXSKESA-N 1 0 339.421 1.585 20 5 EDBDRO CNC(=O)[C@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000081553711 441287399 /nfs/dbraw/zinc/28/73/99/441287399.db2.gz WZMIOUMDOMMANH-ZYHUDNBSSA-N 1 0 336.392 1.544 20 5 EDBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000049131511 441347448 /nfs/dbraw/zinc/34/74/48/441347448.db2.gz IVXKVBXDJODQMQ-CYBMUJFWSA-N 1 0 348.403 1.914 20 5 EDBDRO CN(CCCC[NH+](C)C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000081791372 441313575 /nfs/dbraw/zinc/31/35/75/441313575.db2.gz SVISIBPROLANTF-UHFFFAOYSA-N 1 0 346.391 1.589 20 5 EDBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@H](C[NH+]4CCOCC4)C3)nc2c1 ZINC000083212979 441354991 /nfs/dbraw/zinc/35/49/91/441354991.db2.gz YCTUIUCYSVUZPG-CYBMUJFWSA-N 1 0 346.387 1.890 20 5 EDBDRO Cc1ccc(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000106580370 441358818 /nfs/dbraw/zinc/35/88/18/441358818.db2.gz OSMJUDURPOXDPU-ZDUSSCGKSA-N 1 0 335.408 1.661 20 5 EDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)NC(C)(C)C ZINC000026262616 441372825 /nfs/dbraw/zinc/37/28/25/441372825.db2.gz GIQSPUBPIKXYCO-UHFFFAOYSA-N 1 0 336.392 1.770 20 5 EDBDRO Cn1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1=O ZINC000051424307 441410709 /nfs/dbraw/zinc/41/07/09/441410709.db2.gz FCKNFODXNAJDCS-UHFFFAOYSA-N 1 0 329.360 1.011 20 5 EDBDRO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@@H]1CCCOC1 ZINC000107689854 441425493 /nfs/dbraw/zinc/42/54/93/441425493.db2.gz ZRNVJOUMNCCCFA-ZDUSSCGKSA-N 1 0 333.388 1.842 20 5 EDBDRO CC(C)C[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000065962565 441497055 /nfs/dbraw/zinc/49/70/55/441497055.db2.gz BPIXZOROZIYYNF-UHFFFAOYSA-N 1 0 334.420 1.831 20 5 EDBDRO COCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000066379472 441526590 /nfs/dbraw/zinc/52/65/90/441526590.db2.gz HPXORHYLHKTLKW-NSHDSACASA-N 1 0 325.365 1.899 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000066396315 441529492 /nfs/dbraw/zinc/52/94/92/441529492.db2.gz VWILIPXWGVILBB-CQSZACIVSA-N 1 0 347.415 1.849 20 5 EDBDRO CC[NH+](CC)CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067135139 441608999 /nfs/dbraw/zinc/60/89/99/441608999.db2.gz DBTJEGQTBZWHRL-UHFFFAOYSA-N 1 0 332.364 1.247 20 5 EDBDRO CC[NH+]1CCC(CNC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000067911627 441695752 /nfs/dbraw/zinc/69/57/52/441695752.db2.gz XQQDEPSUFPHARM-UHFFFAOYSA-N 1 0 335.404 1.994 20 5 EDBDRO CNS(=O)(=O)c1ccc(NCCC[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000042104929 441705289 /nfs/dbraw/zinc/70/52/89/441705289.db2.gz GOGPLUQZJKWIJE-UHFFFAOYSA-N 1 0 344.437 1.645 20 5 EDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000138804573 441797990 /nfs/dbraw/zinc/79/79/90/441797990.db2.gz JYQFBLJLTSWGJP-CHWSQXEVSA-N 1 0 338.412 1.061 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000077821789 441869916 /nfs/dbraw/zinc/86/99/16/441869916.db2.gz FHFMXNYFFRUWGJ-UHFFFAOYSA-N 1 0 348.403 1.690 20 5 EDBDRO C[C@H](CC[NH+](C)C)NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000068597875 441829470 /nfs/dbraw/zinc/82/94/70/441829470.db2.gz ZBSJRUNOVVIOHF-CQSZACIVSA-N 1 0 349.435 1.767 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000119066900 441914886 /nfs/dbraw/zinc/91/48/86/441914886.db2.gz AJBBJJSJLRRDBG-BDAKNGLRSA-N 1 0 347.824 1.928 20 5 EDBDRO O=C(NCC[NH+]1CCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000078796118 441972939 /nfs/dbraw/zinc/97/29/39/441972939.db2.gz UAGCYODLWQBTEY-UHFFFAOYSA-N 1 0 329.360 1.606 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000415443064 447444682 /nfs/dbraw/zinc/44/46/82/447444682.db2.gz HBDXSKLQXXNMSY-YPMHNXCESA-N 1 0 334.376 1.339 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000175102930 442004058 /nfs/dbraw/zinc/00/40/58/442004058.db2.gz KDVKDLDIFABUDD-LBPRGKRZSA-N 1 0 341.433 1.973 20 5 EDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000162062370 442061576 /nfs/dbraw/zinc/06/15/76/442061576.db2.gz VBCFCMGQMSNQQN-CQSZACIVSA-N 1 0 346.391 1.621 20 5 EDBDRO C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000162175062 442070255 /nfs/dbraw/zinc/07/02/55/442070255.db2.gz MQTMQKBVULTJEP-LBPRGKRZSA-N 1 0 329.360 1.664 20 5 EDBDRO C[C@H]1C[NH2+]CCN1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000126066923 442074003 /nfs/dbraw/zinc/07/40/03/442074003.db2.gz ZINFUUYBJYMZKR-NSHDSACASA-N 1 0 348.359 1.103 20 5 EDBDRO C[NH+](C)CC1CCC(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000151721947 442111453 /nfs/dbraw/zinc/11/14/53/442111453.db2.gz XRBKFPLMWNDZMZ-UHFFFAOYSA-N 1 0 341.433 1.994 20 5 EDBDRO C[NH+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000151753918 442115611 /nfs/dbraw/zinc/11/56/11/442115611.db2.gz JGTGDYBQGCIPKX-UHFFFAOYSA-N 1 0 330.182 1.578 20 5 EDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000152920999 442251515 /nfs/dbraw/zinc/25/15/15/442251515.db2.gz ZFWHBYMYIWHWFY-IUODEOHRSA-N 1 0 339.417 1.700 20 5 EDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000170969678 442295072 /nfs/dbraw/zinc/29/50/72/442295072.db2.gz NZVNNPIOMYMUSD-ZDUSSCGKSA-N 1 0 343.387 1.852 20 5 EDBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000177275234 442323816 /nfs/dbraw/zinc/32/38/16/442323816.db2.gz RNLNOGWPVPDDNV-ZDUSSCGKSA-N 1 0 339.367 1.821 20 5 EDBDRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153901702 442309973 /nfs/dbraw/zinc/30/99/73/442309973.db2.gz VYWLCIUOVMWJTA-AWEZNQCLSA-N 1 0 341.433 1.698 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000171628691 442364577 /nfs/dbraw/zinc/36/45/77/442364577.db2.gz XUBPCCLSEZYESV-LLVKDONJSA-N 1 0 327.406 1.651 20 5 EDBDRO Cc1cc(C(=O)N2CCC([N@H+](C)CCCO)CC2)cc([N+](=O)[O-])c1 ZINC000179753845 442497645 /nfs/dbraw/zinc/49/76/45/442497645.db2.gz UUBUJOTYSSPWHL-UHFFFAOYSA-N 1 0 335.404 1.822 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000191773672 442508599 /nfs/dbraw/zinc/50/85/99/442508599.db2.gz YVSHUHSCUXLFBF-CHWSQXEVSA-N 1 0 337.424 1.909 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2Cc3ccccc3C3(CC3)C2)c1 ZINC000186152410 442473856 /nfs/dbraw/zinc/47/38/56/442473856.db2.gz ZHUPRDLRRWAZCG-HNNXBMFYSA-N 1 0 328.372 1.700 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000156387721 442475564 /nfs/dbraw/zinc/47/55/64/442475564.db2.gz LKYLBPRIBSZMDM-CHWSQXEVSA-N 1 0 343.387 1.980 20 5 EDBDRO CC[NH+]1CCC(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000156489585 442485520 /nfs/dbraw/zinc/48/55/20/442485520.db2.gz HGEZIUYHOLFJSQ-UHFFFAOYSA-N 1 0 341.433 1.541 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180204942 442558521 /nfs/dbraw/zinc/55/85/21/442558521.db2.gz FRUDAMPTDORVHT-UHFFFAOYSA-N 1 0 344.375 1.219 20 5 EDBDRO COc1cc(CCNC(=O)[C@@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000191994956 442558830 /nfs/dbraw/zinc/55/88/30/442558830.db2.gz JLDIYROCARCLMY-VHSXEESVSA-N 1 0 325.365 1.254 20 5 EDBDRO C[N@@H+]1CC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000180148459 442548446 /nfs/dbraw/zinc/54/84/46/442548446.db2.gz WCVFHVVWSJZHNX-RDJZCZTQSA-N 1 0 343.387 1.743 20 5 EDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)C1 ZINC000179005184 442550644 /nfs/dbraw/zinc/55/06/44/442550644.db2.gz LGZVUJRIKMQVLX-GFCCVEGCSA-N 1 0 344.375 1.165 20 5 EDBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)NCC[NH+]2CCCC2)cc1 ZINC000191861004 442527133 /nfs/dbraw/zinc/52/71/33/442527133.db2.gz PDFGTGASWQPBMR-UHFFFAOYSA-N 1 0 327.406 1.153 20 5 EDBDRO O=C(CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCOCC1 ZINC000135234779 442571300 /nfs/dbraw/zinc/57/13/00/442571300.db2.gz JXJYJPMZZAYOEQ-UHFFFAOYSA-N 1 0 333.388 1.808 20 5 EDBDRO O=C(CC[N@@H+]1CCOC2(CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000135585270 442614743 /nfs/dbraw/zinc/61/47/43/442614743.db2.gz FGRZTDIWTAKEFS-UHFFFAOYSA-N 1 0 349.387 1.805 20 5 EDBDRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000173195585 442621354 /nfs/dbraw/zinc/62/13/54/442621354.db2.gz ASBNXCGMDVJPPG-UHFFFAOYSA-N 1 0 348.403 1.772 20 5 EDBDRO Cc1c[nH+]ccc1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000192536204 442659876 /nfs/dbraw/zinc/65/98/76/442659876.db2.gz DAAVNLKWPCVFLW-UHFFFAOYSA-N 1 0 336.373 1.689 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000193583851 442756288 /nfs/dbraw/zinc/75/62/88/442756288.db2.gz QMHFPTDFHPMYTL-ABAIWWIYSA-N 1 0 334.376 1.346 20 5 EDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000193333097 442733705 /nfs/dbraw/zinc/73/37/05/442733705.db2.gz QMJMUFCEEZCTRO-ZDUSSCGKSA-N 1 0 347.419 1.790 20 5 EDBDRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000246594213 442795843 /nfs/dbraw/zinc/79/58/43/442795843.db2.gz MOMRJHBGSYAPRN-GXTWGEPZSA-N 1 0 348.403 1.722 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193613095 442759479 /nfs/dbraw/zinc/75/94/79/442759479.db2.gz VTGKYMBTIMCVMD-UPJWGTAASA-N 1 0 348.403 1.424 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C)C1CC1 ZINC000182781666 442824496 /nfs/dbraw/zinc/82/44/96/442824496.db2.gz DISSQVYDXZIFAY-UHFFFAOYSA-N 1 0 345.396 1.805 20 5 EDBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000182879197 442840611 /nfs/dbraw/zinc/84/06/11/442840611.db2.gz GVJNAHPIVNQQOH-NSHDSACASA-N 1 0 345.396 1.615 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000268140889 442866815 /nfs/dbraw/zinc/86/68/15/442866815.db2.gz FFJVWHYEOSMQRW-ABAIWWIYSA-N 1 0 346.387 1.441 20 5 EDBDRO C[N@H+](CCCNC(=O)c1cc([N+](=O)[O-])cnc1N)C1CCCCC1 ZINC000183407939 442928589 /nfs/dbraw/zinc/92/85/89/442928589.db2.gz WTQXUCMITBJCIV-UHFFFAOYSA-N 1 0 335.408 1.956 20 5 EDBDRO O=C(NCC[N@@H+]1CCCOCC1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000189391435 442938976 /nfs/dbraw/zinc/93/89/76/442938976.db2.gz ORIBSBBRFKAUOU-UHFFFAOYSA-N 1 0 332.360 1.528 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1[N+](=O)[O-] ZINC000249585138 442991272 /nfs/dbraw/zinc/99/12/72/442991272.db2.gz ODTKOTIWJQRERU-YNEHKIRRSA-N 1 0 339.417 1.569 20 5 EDBDRO Cc1c(C(=O)N[C@H](C)CCC[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000295177209 318634951 /nfs/dbraw/zinc/63/49/51/318634951.db2.gz HAGKBKOSUNMYJN-SNVBAGLBSA-N 1 0 332.364 1.341 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000195316834 443008221 /nfs/dbraw/zinc/00/82/21/443008221.db2.gz ZMIXRTGMUSNOJN-CQSZACIVSA-N 1 0 329.360 1.605 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000251436268 443014442 /nfs/dbraw/zinc/01/44/42/443014442.db2.gz BWHANFVERPHMOP-SWICKSTGSA-N 1 0 333.388 1.522 20 5 EDBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000184370360 443015856 /nfs/dbraw/zinc/01/58/56/443015856.db2.gz UMIDKJWNDYIFKD-LFAOLKIESA-N 1 0 346.431 1.750 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184604065 443047420 /nfs/dbraw/zinc/04/74/20/443047420.db2.gz CBZAQWNKMRDLMX-ZDUSSCGKSA-N 1 0 341.433 1.698 20 5 EDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000296946719 318737464 /nfs/dbraw/zinc/73/74/64/318737464.db2.gz NDMSFBHUJIQDOG-CYBMUJFWSA-N 1 0 349.387 1.729 20 5 EDBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1CCO ZINC000190237878 443074378 /nfs/dbraw/zinc/07/43/78/443074378.db2.gz SZZLWDCLEDZZLM-LLVKDONJSA-N 1 0 345.346 1.695 20 5 EDBDRO CNS(=O)(=O)c1ccc(N(C)CC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000184788977 443076943 /nfs/dbraw/zinc/07/69/43/443076943.db2.gz KOVJXLXQWNWFEP-UHFFFAOYSA-N 1 0 342.421 1.033 20 5 EDBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)C[C@@H]12 ZINC000185088421 443133975 /nfs/dbraw/zinc/13/39/75/443133975.db2.gz RHNDIZXGWGGUBL-MCIONIFRSA-N 1 0 341.371 1.590 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Oc3ccc(F)nc3)CC2)n1 ZINC000190560534 443136770 /nfs/dbraw/zinc/13/67/70/443136770.db2.gz PKLPOELJWYPYID-UHFFFAOYSA-N 1 0 335.339 1.869 20 5 EDBDRO CC(C)(O)C[NH+]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255548183 443102567 /nfs/dbraw/zinc/10/25/67/443102567.db2.gz FHYSNBYVTOFZTI-FPLPWBNLSA-N 1 0 333.388 1.523 20 5 EDBDRO Cc1c(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000237831384 443183313 /nfs/dbraw/zinc/18/33/13/443183313.db2.gz LBBGCQIGDYFWOF-ZYHUDNBSSA-N 1 0 336.348 1.977 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237909537 443187745 /nfs/dbraw/zinc/18/77/45/443187745.db2.gz SZYXBJLYAVEDRN-LSDHHAIUSA-N 1 0 346.387 1.007 20 5 EDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000238131551 443195730 /nfs/dbraw/zinc/19/57/30/443195730.db2.gz JBRLXHIBLFKKNI-QGZVFWFLSA-N 1 0 340.383 1.837 20 5 EDBDRO COc1ccc2c(c1)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000266518976 443154404 /nfs/dbraw/zinc/15/44/04/443154404.db2.gz HSHAVPIFGWWOND-OAHLLOKOSA-N 1 0 332.360 1.219 20 5 EDBDRO C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000269171082 443221256 /nfs/dbraw/zinc/22/12/56/443221256.db2.gz FMFCLYWIVOXLTK-QWHCGFSZSA-N 1 0 343.387 1.898 20 5 EDBDRO O=C(NC1CC[NH2+]CC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269102969 443198003 /nfs/dbraw/zinc/19/80/03/443198003.db2.gz GKNJFWGWVFTQDB-UHFFFAOYSA-N 1 0 346.156 1.978 20 5 EDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000269134015 443208666 /nfs/dbraw/zinc/20/86/66/443208666.db2.gz PQFGRTGHSBHETH-MRVPVSSYSA-N 1 0 346.156 1.930 20 5 EDBDRO COc1cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC(F)F ZINC000269146970 443212487 /nfs/dbraw/zinc/21/24/87/443212487.db2.gz HLOGTWKPTRLBSW-MRVPVSSYSA-N 1 0 345.302 1.639 20 5 EDBDRO O=c1ccn(Cc2nc(-c3ccn4c[nH+]cc4c3)no2)cc1[N+](=O)[O-] ZINC000351080606 319090848 /nfs/dbraw/zinc/09/08/48/319090848.db2.gz PQMUGCBELMUUOB-UHFFFAOYSA-N 1 0 338.283 1.503 20 5 EDBDRO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(N)=O ZINC000411763766 319201421 /nfs/dbraw/zinc/20/14/21/319201421.db2.gz ZSWCTGUFZMLVEO-UHFFFAOYSA-N 1 0 338.364 1.129 20 5 EDBDRO C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000411984867 319218013 /nfs/dbraw/zinc/21/80/13/319218013.db2.gz NVLYLNKNHSTLOC-HNNXBMFYSA-N 1 0 329.404 1.998 20 5 EDBDRO COCC(COC)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000414473095 319329000 /nfs/dbraw/zinc/32/90/00/319329000.db2.gz PYXPRQOOLOPZEP-UHFFFAOYSA-N 1 0 337.420 1.682 20 5 EDBDRO COC[C@@H](Cc1ccccc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000191505224 443304560 /nfs/dbraw/zinc/30/45/60/443304560.db2.gz XXMRIHJMLQAVMB-QGZVFWFLSA-N 1 0 345.399 1.946 20 5 EDBDRO Cc1sc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000264494066 443308627 /nfs/dbraw/zinc/30/86/27/443308627.db2.gz JNOPUFJRFAGCMI-JTQLQIEISA-N 1 0 340.405 1.034 20 5 EDBDRO CC(C)(C)OC1CC([NH2+][C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272446293 443320439 /nfs/dbraw/zinc/32/04/39/443320439.db2.gz PCEZDVKZXMHDHB-UAOKOLBASA-N 1 0 338.404 1.925 20 5 EDBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269664074 443386142 /nfs/dbraw/zinc/38/61/42/443386142.db2.gz XIIPNQZEVAVJJO-CYBMUJFWSA-N 1 0 336.392 1.137 20 5 EDBDRO C[C@@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282503576 443357784 /nfs/dbraw/zinc/35/77/84/443357784.db2.gz RDDWDHFELCKVPJ-XJKSGUPXSA-N 1 0 335.404 1.753 20 5 EDBDRO C[C@]1(F)C[NH2+]CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420325179 319609510 /nfs/dbraw/zinc/60/95/10/319609510.db2.gz CQTZNTWOXGARQO-HNNXBMFYSA-N 1 0 335.339 1.778 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)Cn1cccn1 ZINC000265091362 443529614 /nfs/dbraw/zinc/52/96/14/443529614.db2.gz TZKJXDGIBFHYFD-LBPRGKRZSA-N 1 0 347.375 1.807 20 5 EDBDRO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000423654094 319798404 /nfs/dbraw/zinc/79/84/04/319798404.db2.gz AIMOQMJKVVQRIK-WRWORJQWSA-N 1 0 328.166 1.919 20 5 EDBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423698025 319803339 /nfs/dbraw/zinc/80/33/39/319803339.db2.gz MBHDRBGQQLJXDO-GFCCVEGCSA-N 1 0 336.298 1.870 20 5 EDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000423722667 319807563 /nfs/dbraw/zinc/80/75/63/319807563.db2.gz KNUCQHLFYMQGPY-QMMMGPOBSA-N 1 0 341.331 1.523 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273448193 443573846 /nfs/dbraw/zinc/57/38/46/443573846.db2.gz KOSYKSUWTNVASO-UHFFFAOYSA-N 1 0 328.344 1.824 20 5 EDBDRO CCN1C[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000449519953 320193914 /nfs/dbraw/zinc/19/39/14/320193914.db2.gz RJYSLKRCDMGSIC-WCQYABFASA-N 1 0 334.376 1.522 20 5 EDBDRO COc1cc(C(=O)N[C@H](CC[NH3+])C(F)F)cc([N+](=O)[O-])c1OC ZINC000449623444 320195688 /nfs/dbraw/zinc/19/56/88/320195688.db2.gz LQOYOJXYCDTDRM-MRVPVSSYSA-N 1 0 333.291 1.324 20 5 EDBDRO CN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1(C[NH3+])CCC1 ZINC000449679832 320199274 /nfs/dbraw/zinc/19/92/74/320199274.db2.gz SIALRLXJDBKSOL-UHFFFAOYSA-N 1 0 335.360 1.248 20 5 EDBDRO [NH3+]CC[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000449715232 320201404 /nfs/dbraw/zinc/20/14/04/320201404.db2.gz DRIFVDCBTFOILN-SECBINFHSA-N 1 0 331.254 1.481 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000452102598 320241580 /nfs/dbraw/zinc/24/15/80/320241580.db2.gz IJUMOZIRTPTQJH-NSHDSACASA-N 1 0 345.396 1.837 20 5 EDBDRO CC[C@H](C)[NH+]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000456523693 320309137 /nfs/dbraw/zinc/30/91/37/320309137.db2.gz FOOSYLDEXYWRFY-AWEZNQCLSA-N 1 0 334.420 1.974 20 5 EDBDRO CC(C)(C[NH+]1CCCC1)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000457029127 320317607 /nfs/dbraw/zinc/31/76/07/320317607.db2.gz KPEDXQGRUBCUML-UHFFFAOYSA-N 1 0 348.403 1.315 20 5 EDBDRO CC(C)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1(CO)CCCC1 ZINC000459518953 320348425 /nfs/dbraw/zinc/34/84/25/320348425.db2.gz BMULNHKJGKXRBX-GJZGRUSLSA-N 1 0 340.424 1.319 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491560661 320372063 /nfs/dbraw/zinc/37/20/63/320372063.db2.gz GOEQYQRZWKZNFH-LMVHVUTASA-N 1 0 332.404 1.360 20 5 EDBDRO C[C@H](O)C[N@H+](C)C1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000492742065 320384347 /nfs/dbraw/zinc/38/43/47/320384347.db2.gz WWJAZEKDBSSDIL-AFNCTOJWSA-N 1 0 347.415 1.912 20 5 EDBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000276488385 443723310 /nfs/dbraw/zinc/72/33/10/443723310.db2.gz HFXOKQNVTDUODF-UHFFFAOYSA-N 1 0 336.392 1.142 20 5 EDBDRO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000298364273 443754381 /nfs/dbraw/zinc/75/43/81/443754381.db2.gz ZTAUQPHDLFYBJV-HNNXBMFYSA-N 1 0 326.393 1.829 20 5 EDBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000276603211 443761855 /nfs/dbraw/zinc/76/18/55/443761855.db2.gz RJCFGWPQIQAVHZ-NEPJUHHUSA-N 1 0 349.387 1.661 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298483623 443779876 /nfs/dbraw/zinc/77/98/76/443779876.db2.gz IYCJKDSZAJMCAF-KGLIPLIRSA-N 1 0 339.417 1.808 20 5 EDBDRO CCCc1n[nH]c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288265182 443825209 /nfs/dbraw/zinc/82/52/09/443825209.db2.gz GSDRHPNRVHOEBJ-NWDGAFQWSA-N 1 0 335.408 1.969 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)[C@H]2C1 ZINC000285076460 443846347 /nfs/dbraw/zinc/84/63/47/443846347.db2.gz PODUINYFUZSGHS-HZMBPMFUSA-N 1 0 329.360 1.774 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000288346239 443851180 /nfs/dbraw/zinc/85/11/80/443851180.db2.gz KAGHHIBPDFHWHO-OCCSQVGLSA-N 1 0 335.408 1.575 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000299248292 443995106 /nfs/dbraw/zinc/99/51/06/443995106.db2.gz KOVWFSLZEAXPKE-CYBMUJFWSA-N 1 0 348.403 1.642 20 5 EDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000285482178 444001370 /nfs/dbraw/zinc/00/13/70/444001370.db2.gz ICYZOTLFRSITPJ-DOMZBBRYSA-N 1 0 332.404 1.752 20 5 EDBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000299398105 444037314 /nfs/dbraw/zinc/03/73/14/444037314.db2.gz JQDPVOIQKHOGSD-HNNXBMFYSA-N 1 0 328.372 1.856 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H](C)OC ZINC000285584966 444037882 /nfs/dbraw/zinc/03/78/82/444037882.db2.gz IKCYRINBXJKWRP-LLVKDONJSA-N 1 0 325.365 1.899 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H](C)OC ZINC000285619765 444050003 /nfs/dbraw/zinc/05/00/03/444050003.db2.gz KHPYCLIHUUXYQM-LLVKDONJSA-N 1 0 325.365 1.899 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000299292114 444008049 /nfs/dbraw/zinc/00/80/49/444008049.db2.gz NZCQXHZDSUTZPH-CYBMUJFWSA-N 1 0 348.403 1.703 20 5 EDBDRO CC(C)[NH+]1CCC(N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000299553319 444078014 /nfs/dbraw/zinc/07/80/14/444078014.db2.gz LKQIUNXFZQHNOK-UHFFFAOYSA-N 1 0 334.420 1.998 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000564966272 321161040 /nfs/dbraw/zinc/16/10/40/321161040.db2.gz DTTGXRDJFJXXIP-SNVBAGLBSA-N 1 0 337.348 1.418 20 5 EDBDRO CCS[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000566113309 321216684 /nfs/dbraw/zinc/21/66/84/321216684.db2.gz XUIVZHHXHGUABX-MRVWCRGKSA-N 1 0 328.438 1.806 20 5 EDBDRO COc1cc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c([N+](=O)[O-])cc1F ZINC000294703841 444139594 /nfs/dbraw/zinc/13/95/94/444139594.db2.gz VLIJWIFJIKWBRW-SECBINFHSA-N 1 0 325.340 1.955 20 5 EDBDRO CC[N@@H+]1CCCC[C@@H]1CNc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301242355 444157275 /nfs/dbraw/zinc/15/72/75/444157275.db2.gz KCFVDJQVSLJEKA-GFCCVEGCSA-N 1 0 331.376 1.889 20 5 EDBDRO C[C@@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000574171052 321473178 /nfs/dbraw/zinc/47/31/78/321473178.db2.gz SMGHAQYZZRVHPX-LBPRGKRZSA-N 1 0 342.421 1.389 20 5 EDBDRO Cc1c(C(=O)N[C@@H](C)CCC[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000295177208 444168461 /nfs/dbraw/zinc/16/84/61/444168461.db2.gz HAGKBKOSUNMYJN-JTQLQIEISA-N 1 0 332.364 1.341 20 5 EDBDRO CC[NH+]1CCN(c2cc(CNc3ncc([N+](=O)[O-])cn3)ccn2)CC1 ZINC000302147217 444206306 /nfs/dbraw/zinc/20/63/06/444206306.db2.gz ILFWZQVYYFRGQB-UHFFFAOYSA-N 1 0 343.391 1.534 20 5 EDBDRO COC(=O)Cc1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000296194000 444211276 /nfs/dbraw/zinc/21/12/76/444211276.db2.gz BQMYVBHDYXCBIR-CQSZACIVSA-N 1 0 333.388 1.985 20 5 EDBDRO CCc1ccc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000286011370 444175854 /nfs/dbraw/zinc/17/58/54/444175854.db2.gz ZOKFLBSABZMWLP-JKSUJKDBSA-N 1 0 333.388 1.702 20 5 EDBDRO C[C@]1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCC[C@H]1O ZINC000575748113 321525651 /nfs/dbraw/zinc/52/56/51/321525651.db2.gz BHHWKQZYPRGVHR-DJIMGWMZSA-N 1 0 338.404 1.865 20 5 EDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCN2CCO[C@H]1C2 ZINC000295360211 444180549 /nfs/dbraw/zinc/18/05/49/444180549.db2.gz JEYHHJKUVDKFGU-CVEARBPZSA-N 1 0 348.403 1.328 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(N3CCC(C[NH+]4CCCC4)CC3)nn21 ZINC000301913619 444196592 /nfs/dbraw/zinc/19/65/92/444196592.db2.gz HRHCJBFLMWNXRI-UHFFFAOYSA-N 1 0 330.392 1.950 20 5 EDBDRO C[N@@H+]1CCO[C@@H]2CN(c3c(Br)cncc3[N+](=O)[O-])C[C@H]21 ZINC000301946285 444198133 /nfs/dbraw/zinc/19/81/33/444198133.db2.gz XNLFRAIJALNUST-GHMZBOCLSA-N 1 0 343.181 1.272 20 5 EDBDRO O=[N+]([O-])c1ccccc1OCCN1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000304693149 444251305 /nfs/dbraw/zinc/25/13/05/444251305.db2.gz DOEWPAOARMTGFO-HOTGVXAUSA-N 1 0 349.431 1.895 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290225673 444256331 /nfs/dbraw/zinc/25/63/31/444256331.db2.gz UDWWZQOZWDLBKW-QWRGUYRKSA-N 1 0 333.344 1.048 20 5 EDBDRO C[N@@H+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000305709909 444273821 /nfs/dbraw/zinc/27/38/21/444273821.db2.gz XFNPXBWBKGLBCM-IAGOWNOFSA-N 1 0 345.403 1.141 20 5 EDBDRO C[C@H](C[NH3+])NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000577394003 321649486 /nfs/dbraw/zinc/64/94/86/321649486.db2.gz JZBWTYMOYAULLO-ZCFIWIBFSA-N 1 0 349.128 1.276 20 5 EDBDRO CN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000318899761 444321594 /nfs/dbraw/zinc/32/15/94/444321594.db2.gz JLBWDACHEIQDSY-CYBMUJFWSA-N 1 0 327.406 1.499 20 5 EDBDRO CC[C@H](C)Oc1cc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000577723087 321676444 /nfs/dbraw/zinc/67/64/44/321676444.db2.gz FAZNREFSOATILK-SWLSCSKDSA-N 1 0 349.391 1.514 20 5 EDBDRO COc1cc(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000326578116 444376825 /nfs/dbraw/zinc/37/68/25/444376825.db2.gz AJNLYNRWQDNXNL-FEUHOPSXSA-N 1 0 337.376 1.728 20 5 EDBDRO [NH3+][C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000326510249 444375817 /nfs/dbraw/zinc/37/58/17/444375817.db2.gz RQRVUOWZYWYWFD-INIZCTEOSA-N 1 0 341.371 1.338 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000321466407 444336091 /nfs/dbraw/zinc/33/60/91/444336091.db2.gz POXHRTVFVWZPIG-CYBMUJFWSA-N 1 0 331.294 1.796 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](CO)CC1CCCC1 ZINC000578770052 321829201 /nfs/dbraw/zinc/82/92/01/321829201.db2.gz JLGWWTUZYUELTB-LSDHHAIUSA-N 1 0 338.404 1.865 20 5 EDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000326817744 444378983 /nfs/dbraw/zinc/37/89/83/444378983.db2.gz FVBGTEPOKYIARK-IYKSTZQJSA-N 1 0 330.388 1.114 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580172737 322018060 /nfs/dbraw/zinc/01/80/60/322018060.db2.gz SQVMIFFAZYZXSW-KRWDZBQOSA-N 1 0 332.404 1.922 20 5 EDBDRO COCC[NH2+]C1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000580319728 322036428 /nfs/dbraw/zinc/03/64/28/322036428.db2.gz WPIMOYCNMAXKLK-UHFFFAOYSA-N 1 0 340.355 1.966 20 5 EDBDRO CC(C)c1ccc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000580897591 322109941 /nfs/dbraw/zinc/10/99/41/322109941.db2.gz BSXICSPEINQSIW-ZDUSSCGKSA-N 1 0 341.433 1.842 20 5 EDBDRO CC(C)[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000332521924 444517769 /nfs/dbraw/zinc/51/77/69/444517769.db2.gz MOVXCNJLDLTIHK-AWEZNQCLSA-N 1 0 349.387 1.778 20 5 EDBDRO CC(C)[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C[C@@H](C)O ZINC000340807803 444518424 /nfs/dbraw/zinc/51/84/24/444518424.db2.gz MWUCTDFBDXXNMK-SNVBAGLBSA-N 1 0 339.348 1.353 20 5 EDBDRO CN1CCN(C(=O)CC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000338269935 444600680 /nfs/dbraw/zinc/60/06/80/444600680.db2.gz IRBDGEISAFSQIE-UHFFFAOYSA-N 1 0 332.404 1.117 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000342384618 444667953 /nfs/dbraw/zinc/66/79/53/444667953.db2.gz VGWURVPJUSNRRQ-HUUCEWRRSA-N 1 0 346.387 1.868 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000342384620 444668254 /nfs/dbraw/zinc/66/82/54/444668254.db2.gz VGWURVPJUSNRRQ-LSDHHAIUSA-N 1 0 346.387 1.868 20 5 EDBDRO CC[C@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000341026065 444639699 /nfs/dbraw/zinc/63/96/99/444639699.db2.gz ILMZKKKRXOFLNV-SMDDNHRTSA-N 1 0 335.360 1.596 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(O)CCOCC1 ZINC000341421502 444821102 /nfs/dbraw/zinc/82/11/02/444821102.db2.gz IDZRJTITILDLSA-GFCCVEGCSA-N 1 0 337.376 1.443 20 5 EDBDRO O=C(NC[C@H]1CC[NH2+]C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000342741739 444844608 /nfs/dbraw/zinc/84/46/08/444844608.db2.gz QPFXSVFLPFXBFW-VIFPVBQESA-N 1 0 347.293 1.875 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000338789144 444852205 /nfs/dbraw/zinc/85/22/05/444852205.db2.gz TVTHECZHNBDOLS-BXUZGUMPSA-N 1 0 348.403 1.959 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[NH+]1CCCC1 ZINC000344410259 444949179 /nfs/dbraw/zinc/94/91/79/444949179.db2.gz POJPUGRXRUYFGV-LBPRGKRZSA-N 1 0 338.412 1.039 20 5 EDBDRO C[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccccc1[N+](=O)[O-] ZINC000341691932 444951304 /nfs/dbraw/zinc/95/13/04/444951304.db2.gz CNXJZGKVYRSQHW-GFCCVEGCSA-N 1 0 346.391 2.236 20 5 EDBDRO CC[N@H+]1C[C@@H](C)N(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000344419478 444955718 /nfs/dbraw/zinc/95/57/18/444955718.db2.gz JHYNZUZPBFAXMG-TXEJJXNPSA-N 1 0 337.424 1.739 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000341877999 445049148 /nfs/dbraw/zinc/04/91/48/445049148.db2.gz POEPWGYOWXJFCR-UAGQMJEPSA-N 1 0 346.387 1.520 20 5 EDBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000330611276 445060751 /nfs/dbraw/zinc/06/07/51/445060751.db2.gz PTEQVSCTNGVAHE-UONOGXRCSA-N 1 0 345.396 1.684 20 5 EDBDRO Cc1nn(CCC(=O)N(C)CCC[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000339441575 445142388 /nfs/dbraw/zinc/14/23/88/445142388.db2.gz RBDTUHVOBGFRRP-UHFFFAOYSA-N 1 0 337.424 1.743 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000343316177 445195930 /nfs/dbraw/zinc/19/59/30/445195930.db2.gz DVISGNKYPKRRQN-GFCCVEGCSA-N 1 0 341.371 1.747 20 5 EDBDRO Cn1nccc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000343450007 445225112 /nfs/dbraw/zinc/22/51/12/445225112.db2.gz RFVGSCSVMUFDJI-CZUORRHYSA-N 1 0 347.350 1.577 20 5 EDBDRO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000348214071 445318096 /nfs/dbraw/zinc/31/80/96/445318096.db2.gz KELTYXOQGQFNES-INIZCTEOSA-N 1 0 332.404 1.726 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000351828805 445335542 /nfs/dbraw/zinc/33/55/42/445335542.db2.gz IPNRYOBUVQXWOC-RYUDHWBXSA-N 1 0 329.360 1.590 20 5 EDBDRO O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000362547593 445433161 /nfs/dbraw/zinc/43/31/61/445433161.db2.gz KORBMYNMCFTTPD-LBPRGKRZSA-N 1 0 341.371 1.593 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000356160969 445655246 /nfs/dbraw/zinc/65/52/46/445655246.db2.gz SPNCWBIAODYAAD-UHFFFAOYSA-N 1 0 343.387 1.854 20 5 EDBDRO COc1cc(C(=O)N2CC[N@H+](C)CC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000354006919 445850340 /nfs/dbraw/zinc/85/03/40/445850340.db2.gz UFLMCJLRAROFKD-LLVKDONJSA-N 1 0 337.376 1.778 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[N@H+](C)CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000354011282 445853891 /nfs/dbraw/zinc/85/38/91/445853891.db2.gz ZJKWQULAOPPGFP-NSHDSACASA-N 1 0 335.360 1.548 20 5 EDBDRO COc1cc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000369064190 445905330 /nfs/dbraw/zinc/90/53/30/445905330.db2.gz LXAOLRIMHQXODK-SNVBAGLBSA-N 1 0 329.378 1.024 20 5 EDBDRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000369267763 446032608 /nfs/dbraw/zinc/03/26/08/446032608.db2.gz QCXDOTKZNVQXPW-OAHLLOKOSA-N 1 0 346.431 1.422 20 5 EDBDRO COc1ccc(C[NH2+][C@H](Cc2ccccc2)C(N)=O)cc1[N+](=O)[O-] ZINC000351339400 446037142 /nfs/dbraw/zinc/03/71/42/446037142.db2.gz MSYPLGMQRBFJPO-CQSZACIVSA-N 1 0 329.356 1.790 20 5 EDBDRO CCn1ccnc1[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000583199397 326025075 /nfs/dbraw/zinc/02/50/75/326025075.db2.gz NMJUJYFIHNJPPG-OCCSQVGLSA-N 1 0 334.376 1.902 20 5 EDBDRO CO[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H](C[NH3+])C1 ZINC000359219908 446049851 /nfs/dbraw/zinc/04/98/51/446049851.db2.gz HVBINODDXFZKQP-QWHCGFSZSA-N 1 0 333.344 1.919 20 5 EDBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000369319206 446069691 /nfs/dbraw/zinc/06/96/91/446069691.db2.gz LJMXPAGXDYDOKR-ZDUSSCGKSA-N 1 0 334.376 1.786 20 5 EDBDRO CCc1nn(C)c(NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000373175094 446074488 /nfs/dbraw/zinc/07/44/88/446074488.db2.gz FDPVCJQPDJNMHT-GXTWGEPZSA-N 1 0 337.424 1.804 20 5 EDBDRO COc1cc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000359304205 446136282 /nfs/dbraw/zinc/13/62/82/446136282.db2.gz KPSKNOVPOKASKZ-GHMZBOCLSA-N 1 0 343.330 1.856 20 5 EDBDRO [NH3+]C1CC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000359287204 446122575 /nfs/dbraw/zinc/12/25/75/446122575.db2.gz NVMIXWAWLZGVQQ-UHFFFAOYSA-N 1 0 339.295 1.382 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000365403693 446190759 /nfs/dbraw/zinc/19/07/59/446190759.db2.gz HIYUELVWLMBFHK-CQSZACIVSA-N 1 0 341.433 1.841 20 5 EDBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000369709748 446148769 /nfs/dbraw/zinc/14/87/69/446148769.db2.gz HGEKRXYHBBWMKR-OAHLLOKOSA-N 1 0 343.387 1.524 20 5 EDBDRO CO[C@@]1(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000359409371 446207061 /nfs/dbraw/zinc/20/70/61/446207061.db2.gz CFKPSIMOHRKEFS-BLLLJJGKSA-N 1 0 337.376 1.707 20 5 EDBDRO Cc1c(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000366457904 446222365 /nfs/dbraw/zinc/22/23/65/446222365.db2.gz CDARWXFBJFTYHN-UWVGGRQHSA-N 1 0 340.311 1.550 20 5 EDBDRO COc1cc(C[NH2+][C@@H](CO)C2CCOCC2)c([N+](=O)[O-])cc1F ZINC000362177001 446247960 /nfs/dbraw/zinc/24/79/60/446247960.db2.gz HRKRRNNRPVIOGV-ZDUSSCGKSA-N 1 0 328.340 1.620 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365549733 446250307 /nfs/dbraw/zinc/25/03/07/446250307.db2.gz ICMHNLFYYZEBHU-AEGPPILISA-N 1 0 333.392 1.124 20 5 EDBDRO C[C@@H]([NH3+])C1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000418082783 446434684 /nfs/dbraw/zinc/43/46/84/446434684.db2.gz JZQVYLAGTVLZJO-SNVBAGLBSA-N 1 0 346.391 1.740 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418081824 446435285 /nfs/dbraw/zinc/43/52/85/446435285.db2.gz HTGHDAUBCOSJSC-MNOVXSKESA-N 1 0 344.375 1.222 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418085294 446436233 /nfs/dbraw/zinc/43/62/33/446436233.db2.gz VBMTTZOOOCNTQW-TVQRCGJNSA-N 1 0 332.364 1.268 20 5 EDBDRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)C(C)C ZINC000411244215 446441352 /nfs/dbraw/zinc/44/13/52/446441352.db2.gz MXSDGIAJGDFLJJ-UHFFFAOYSA-N 1 0 336.392 1.688 20 5 EDBDRO C[C@@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)[NH2+]1 ZINC000420282636 446450039 /nfs/dbraw/zinc/45/00/39/446450039.db2.gz BTLFJOPOCVVYMK-VXGBXAGGSA-N 1 0 327.406 1.051 20 5 EDBDRO C[C@H]1CCCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000420295321 446457260 /nfs/dbraw/zinc/45/72/60/446457260.db2.gz VFQOGDPQRZDUDE-WFASDCNBSA-N 1 0 341.433 1.428 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420294717 446458125 /nfs/dbraw/zinc/45/81/25/446458125.db2.gz UKEVXRJLVPCVCI-NSHDSACASA-N 1 0 326.784 1.871 20 5 EDBDRO O=C(CC[N@@H+]1CCC[C@H]1C(=O)NC1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411273184 446458958 /nfs/dbraw/zinc/45/89/58/446458958.db2.gz UWHACZFJASILKT-HNNXBMFYSA-N 1 0 346.387 1.666 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)cc1 ZINC000370864684 446489003 /nfs/dbraw/zinc/48/90/03/446489003.db2.gz FVDNNQZQAMNWRB-UHFFFAOYSA-N 1 0 339.417 1.641 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]C[C@](C)(F)C1 ZINC000420331672 446500924 /nfs/dbraw/zinc/50/09/24/446500924.db2.gz IRZSDPDULHSNCX-HNNXBMFYSA-N 1 0 340.355 1.175 20 5 EDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418483950 446560936 /nfs/dbraw/zinc/56/09/36/446560936.db2.gz ZMUSQPOCMGWJTN-KBPBESRZSA-N 1 0 347.419 1.554 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC000375029936 446526190 /nfs/dbraw/zinc/52/61/90/446526190.db2.gz IYFDURHCWLTABK-SUMWQHHRSA-N 1 0 344.415 1.510 20 5 EDBDRO COC(=O)c1cc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000423447780 446540253 /nfs/dbraw/zinc/54/02/53/446540253.db2.gz AKJGQYXOUMHJHN-CYBMUJFWSA-N 1 0 333.344 1.348 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](CN)C(C)(C)C ZINC000420366997 446546944 /nfs/dbraw/zinc/54/69/44/446546944.db2.gz RUHRPHGHZMMGOH-AWEZNQCLSA-N 1 0 338.408 1.895 20 5 EDBDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420418003 446591220 /nfs/dbraw/zinc/59/12/20/446591220.db2.gz FUAJEWLTYFWAHU-CQSZACIVSA-N 1 0 327.406 1.136 20 5 EDBDRO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420421741 446597432 /nfs/dbraw/zinc/59/74/32/446597432.db2.gz LJZNPJQSHCGQJF-WCQYABFASA-N 1 0 327.406 1.136 20 5 EDBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000420424552 446598545 /nfs/dbraw/zinc/59/85/45/446598545.db2.gz QDRJYZCCLVSKMA-DZGCQCFKSA-N 1 0 339.417 1.151 20 5 EDBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420426061 446600526 /nfs/dbraw/zinc/60/05/26/446600526.db2.gz VQXAYKSDHSOUFE-HNNXBMFYSA-N 1 0 341.433 1.541 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000420428106 446602569 /nfs/dbraw/zinc/60/25/69/446602569.db2.gz XXBNRHYISJUZLB-KBPBESRZSA-N 1 0 339.417 1.151 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418596234 446608384 /nfs/dbraw/zinc/60/83/84/446608384.db2.gz OQMYMBASBNAYDY-KBPBESRZSA-N 1 0 347.419 1.424 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000420477560 446650222 /nfs/dbraw/zinc/65/02/22/446650222.db2.gz ZXFCIWSCVMAGTA-VXGBXAGGSA-N 1 0 327.406 1.699 20 5 EDBDRO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000423667016 446633872 /nfs/dbraw/zinc/63/38/72/446633872.db2.gz KFDIYFSHYPKDDD-IINYFYTJSA-N 1 0 329.360 1.557 20 5 EDBDRO C[C@H](NC(=O)C(=O)NCC1(C)CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000418778696 446697300 /nfs/dbraw/zinc/69/73/00/446697300.db2.gz JBXVYAOIZFOJAU-LBPRGKRZSA-N 1 0 348.403 1.278 20 5 EDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000418783749 446699719 /nfs/dbraw/zinc/69/97/19/446699719.db2.gz GIHDRZCJRKMVGT-KBPBESRZSA-N 1 0 347.419 1.554 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371245828 446713719 /nfs/dbraw/zinc/71/37/19/446713719.db2.gz YXRRQQAUVWNSDS-BBRMVZONSA-N 1 0 333.388 1.964 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000619254651 450435641 /nfs/dbraw/zinc/43/56/41/450435641.db2.gz OMPDMWFBFOIAOL-HNNXBMFYSA-N 1 0 325.340 1.263 20 5 EDBDRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000371308406 446763981 /nfs/dbraw/zinc/76/39/81/446763981.db2.gz NYSPMFZKKZBPBB-KRWDZBQOSA-N 1 0 344.415 1.476 20 5 EDBDRO CCC[N@@H+]1CC[C@H](CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000439109967 446807924 /nfs/dbraw/zinc/80/79/24/446807924.db2.gz SRIXKHGYTICDOX-LLVKDONJSA-N 1 0 331.376 2.387 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000371507193 446900585 /nfs/dbraw/zinc/90/05/85/446900585.db2.gz YLLNZFMGMSNLOE-ZFWWWQNUSA-N 1 0 339.417 1.451 20 5 EDBDRO CNC(=O)[C@@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000420978421 446952998 /nfs/dbraw/zinc/95/29/98/446952998.db2.gz RLUQPMGNGUSJQF-VXGBXAGGSA-N 1 0 334.376 1.298 20 5 EDBDRO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000419153978 446971668 /nfs/dbraw/zinc/97/16/68/446971668.db2.gz QJWKSGVCWVXKBG-LLVKDONJSA-N 1 0 336.392 1.406 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2C[C@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000442766934 446960301 /nfs/dbraw/zinc/96/03/01/446960301.db2.gz XQVOJHOWQUOQTM-SRVKXCTJSA-N 1 0 336.392 1.600 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc([N+](=O)[O-])c1F ZINC000368639268 446998961 /nfs/dbraw/zinc/99/89/61/446998961.db2.gz TVHLKSRMRDPKQB-IUCAKERBSA-N 1 0 335.332 1.021 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000419281043 447054688 /nfs/dbraw/zinc/05/46/88/447054688.db2.gz XNNLQPGUUCKBHT-LBPRGKRZSA-N 1 0 348.403 1.291 20 5 EDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000421295137 447108330 /nfs/dbraw/zinc/10/83/30/447108330.db2.gz HQVXCSOVHVOUFR-LBPRGKRZSA-N 1 0 338.339 1.225 20 5 EDBDRO C[N@H+](CCO)C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444625089 447110588 /nfs/dbraw/zinc/11/05/88/447110588.db2.gz GYMQQBRURCQSFD-UHFFFAOYSA-N 1 0 333.392 1.360 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421305476 447119905 /nfs/dbraw/zinc/11/99/05/447119905.db2.gz MZRMYAFNBKGBNV-CYBMUJFWSA-N 1 0 348.403 1.703 20 5 EDBDRO O=[N+]([O-])c1cc(Br)ccc1CN1C[C@H](O)C[C@@H]1CO ZINC000425417794 447153532 /nfs/dbraw/zinc/15/35/32/447153532.db2.gz IIGAAFWPMHEHNJ-GHMZBOCLSA-N 1 0 331.166 1.285 20 5 EDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000421707223 447227927 /nfs/dbraw/zinc/22/79/27/447227927.db2.gz WZABNGYKIXFHNP-ZDUSSCGKSA-N 1 0 344.375 1.342 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000446087436 447229741 /nfs/dbraw/zinc/22/97/41/447229741.db2.gz YYMXTZWEFIJAKI-ZDUSSCGKSA-N 1 0 348.403 1.220 20 5 EDBDRO CNc1nc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456043910 447289563 /nfs/dbraw/zinc/28/95/63/447289563.db2.gz KIPQIVLVNYSZRB-AAEUAGOBSA-N 1 0 333.392 1.730 20 5 EDBDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000372739095 447259532 /nfs/dbraw/zinc/25/95/32/447259532.db2.gz IDUXKUIOZDBBIW-HIFRSBDPSA-N 1 0 334.380 1.031 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCc2nnnn2CC1)C1CC1 ZINC000421889412 447268955 /nfs/dbraw/zinc/26/89/55/447268955.db2.gz XDAQLDYRKLQMNQ-LSDHHAIUSA-N 1 0 342.403 1.897 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCc2nnnn2CC1)C1CC1 ZINC000421889396 447269084 /nfs/dbraw/zinc/26/90/84/447269084.db2.gz XDAQLDYRKLQMNQ-CABCVRRESA-N 1 0 342.403 1.897 20 5 EDBDRO Cc1nc(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000450406448 447480871 /nfs/dbraw/zinc/48/08/71/447480871.db2.gz HJJJOVPYUWQMOS-GJZGRUSLSA-N 1 0 343.387 1.741 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@](C)(O)CC[NH+](C)C)c1 ZINC000420003654 447540344 /nfs/dbraw/zinc/54/03/44/447540344.db2.gz VDSFUAPTFLROIO-MRXNPFEDSA-N 1 0 339.392 1.426 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420009373 447543718 /nfs/dbraw/zinc/54/37/18/447543718.db2.gz CPQGTNSJBFTZGX-TZMCWYRMSA-N 1 0 348.403 1.187 20 5 EDBDRO C[N@H+](CCCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000416499975 447627832 /nfs/dbraw/zinc/62/78/32/447627832.db2.gz DWQPPEVQOOWEBT-UHFFFAOYSA-N 1 0 333.435 1.809 20 5 EDBDRO CCN(CC)S(=O)(=O)c1ccc(N[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420140370 447631121 /nfs/dbraw/zinc/63/11/21/447631121.db2.gz PTRHPUGTKKNTMK-NSHDSACASA-N 1 0 342.421 1.399 20 5 EDBDRO NC(=O)c1cccc(C[N@H+](CCn2ccc([N+](=O)[O-])n2)C2CC2)c1 ZINC000451210149 447706087 /nfs/dbraw/zinc/70/60/87/447706087.db2.gz QQGNLTGVGWUBQW-UHFFFAOYSA-N 1 0 329.360 1.555 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000420235498 447681364 /nfs/dbraw/zinc/68/13/64/447681364.db2.gz DUSTVWCZIBUCSG-CPCISQLKSA-N 1 0 329.740 1.027 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)c([N+](=O)[O-])c1 ZINC000459686913 447740224 /nfs/dbraw/zinc/74/02/24/447740224.db2.gz VPJKNCKUJDFQOE-HIFRSBDPSA-N 1 0 331.372 1.695 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2CCC([C@H](C)[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000422778878 447747918 /nfs/dbraw/zinc/74/79/18/447747918.db2.gz BCLACUOAHNBKPP-LBPRGKRZSA-N 1 0 348.403 1.219 20 5 EDBDRO COc1cc(CCNC(=O)[C@]23C[C@H]2CC[NH2+]3)c([N+](=O)[O-])cc1OC ZINC000422949038 447778262 /nfs/dbraw/zinc/77/82/62/447778262.db2.gz UDCOOYLTWHVDTI-BZNIZROVSA-N 1 0 335.360 1.023 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451904828 447779484 /nfs/dbraw/zinc/77/94/84/447779484.db2.gz BTCTUCNDXJDYIG-PBHICJAKSA-N 1 0 336.388 1.837 20 5 EDBDRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000569723494 447878194 /nfs/dbraw/zinc/87/81/94/447878194.db2.gz KAELTPGREQGXJH-BBRMVZONSA-N 1 0 333.388 1.953 20 5 EDBDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[N@@H+]1C ZINC000525189924 447975519 /nfs/dbraw/zinc/97/55/19/447975519.db2.gz KLEBEJHBVVMONU-WDEREUQCSA-N 1 0 328.394 1.093 20 5 EDBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525700666 448013203 /nfs/dbraw/zinc/01/32/03/448013203.db2.gz JRVMOOQVWBRJDG-LBPRGKRZSA-N 1 0 342.421 1.342 20 5 EDBDRO CNc1ccc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000530885814 447977482 /nfs/dbraw/zinc/97/74/82/447977482.db2.gz PCZRETRTAOVSAF-HNNXBMFYSA-N 1 0 338.433 1.804 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCCOc3ccccc32)c1 ZINC000576148967 447983152 /nfs/dbraw/zinc/98/31/52/447983152.db2.gz CGPHIRNUBKTVJS-DZGCQCFKSA-N 1 0 332.360 1.656 20 5 EDBDRO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@@H+]1C ZINC000525543101 448004013 /nfs/dbraw/zinc/00/40/13/448004013.db2.gz YPBPIBMDPAICJN-NWDGAFQWSA-N 1 0 349.387 1.921 20 5 EDBDRO Cc1cc(NCC[NH+]2CCN(c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000531304943 448059482 /nfs/dbraw/zinc/05/94/82/448059482.db2.gz WWQMOUJNCOUKGS-UHFFFAOYSA-N 1 0 341.415 2.532 20 5 EDBDRO COc1ncccc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576696547 448116183 /nfs/dbraw/zinc/11/61/83/448116183.db2.gz KTTGDDMPBSVWHF-AWEZNQCLSA-N 1 0 333.344 1.528 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000571643093 448185982 /nfs/dbraw/zinc/18/59/82/448185982.db2.gz QMLBUKVJWVPFEK-INIZCTEOSA-N 1 0 333.344 1.539 20 5 EDBDRO CCc1nncn1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000514595561 448168412 /nfs/dbraw/zinc/16/84/12/448168412.db2.gz DDNKMFNVEFYRCE-STQMWFEESA-N 1 0 333.396 1.719 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000591028755 448239644 /nfs/dbraw/zinc/23/96/44/448239644.db2.gz DWZKTWWRMZTIPJ-DOMZBBRYSA-N 1 0 346.387 1.313 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591447825 448365900 /nfs/dbraw/zinc/36/59/00/448365900.db2.gz AHMQJKOGWCITSV-CZUORRHYSA-N 1 0 332.404 1.916 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000591449940 448368278 /nfs/dbraw/zinc/36/82/78/448368278.db2.gz SXJHVHOJNYCFLB-JTQLQIEISA-N 1 0 329.378 1.024 20 5 EDBDRO O=C(CN1CC[C@H]2CC[NH2+][C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000591449599 448368588 /nfs/dbraw/zinc/36/85/88/448368588.db2.gz XYVIPIJMFUZQLQ-IUODEOHRSA-N 1 0 330.388 1.168 20 5 EDBDRO CN1CCN(C(=O)C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591347917 448334568 /nfs/dbraw/zinc/33/45/68/448334568.db2.gz CUMYGEMEEOEXEQ-QGZVFWFLSA-N 1 0 346.431 1.726 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000591562345 448390954 /nfs/dbraw/zinc/39/09/54/448390954.db2.gz FWEHWCNTHDTOQF-UHFFFAOYSA-N 1 0 339.417 1.728 20 5 EDBDRO Cc1cc(NC(=O)CC[NH2+]CCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000566117167 448391623 /nfs/dbraw/zinc/39/16/23/448391623.db2.gz PORZHHFSFYDLFL-UHFFFAOYSA-N 1 0 334.332 1.888 20 5 EDBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000583083014 448419302 /nfs/dbraw/zinc/41/93/02/448419302.db2.gz XSURUXQIACXTEM-ZDUSSCGKSA-N 1 0 334.376 1.546 20 5 EDBDRO C[C@@H]1C[C@@H](CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000516564432 448438981 /nfs/dbraw/zinc/43/89/81/448438981.db2.gz HCOWBHCGTIXRDZ-XFMPKHEZSA-N 1 0 326.397 1.336 20 5 EDBDRO CNc1nccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000583943541 448466352 /nfs/dbraw/zinc/46/63/52/448466352.db2.gz MWSKBZIKPYKSDW-NEPJUHHUSA-N 1 0 335.408 2.024 20 5 EDBDRO CCCCn1cc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)n1 ZINC000516761401 448469141 /nfs/dbraw/zinc/46/91/41/448469141.db2.gz CYKOWTMDNQAXGK-OAHLLOKOSA-N 1 0 336.396 1.247 20 5 EDBDRO O=C(CC[NH2+]CCOC[C@@H]1CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000591734818 448476781 /nfs/dbraw/zinc/47/67/81/448476781.db2.gz GNILQYBIUVZTRD-CYBMUJFWSA-N 1 0 337.376 1.566 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCc3ccccc3C2)c1 ZINC000591741858 448478732 /nfs/dbraw/zinc/47/87/32/448478732.db2.gz YLCAWLLQVJMXNS-SUMWQHHRSA-N 1 0 330.388 1.547 20 5 EDBDRO CCc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2CC)cc1[N+](=O)[O-] ZINC000592007693 448622012 /nfs/dbraw/zinc/62/20/12/448622012.db2.gz HWPVSAOXPJRLSF-CYBMUJFWSA-N 1 0 341.433 1.920 20 5 EDBDRO [NH3+]C[C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000517567434 448593795 /nfs/dbraw/zinc/59/37/95/448593795.db2.gz OBTBSXCQGWUSMZ-SNVBAGLBSA-N 1 0 326.784 1.857 20 5 EDBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000579002556 448692583 /nfs/dbraw/zinc/69/25/83/448692583.db2.gz QKTBHQCMOMCPPE-LBPRGKRZSA-N 1 0 333.392 1.376 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592254622 448763581 /nfs/dbraw/zinc/76/35/81/448763581.db2.gz JBWHFJOTUXXFDI-KBPBESRZSA-N 1 0 335.408 1.420 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000592373514 448810201 /nfs/dbraw/zinc/81/02/01/448810201.db2.gz UPRGJMSEHJOLJA-NSHDSACASA-N 1 0 345.421 1.597 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000592379981 448812370 /nfs/dbraw/zinc/81/23/70/448812370.db2.gz GJCZQSABVLIKTI-ZJUUUORDSA-N 1 0 329.378 1.152 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000592380111 448812966 /nfs/dbraw/zinc/81/29/66/448812966.db2.gz MACSYSCPSIHDHS-NWDGAFQWSA-N 1 0 327.406 1.705 20 5 EDBDRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)nn1 ZINC000592341036 448798338 /nfs/dbraw/zinc/79/83/38/448798338.db2.gz AGCJXWRYGNAZPP-CYBMUJFWSA-N 1 0 348.338 1.261 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000592383600 448816374 /nfs/dbraw/zinc/81/63/74/448816374.db2.gz MMBIACOLRUSKST-JQWIXIFHSA-N 1 0 327.406 1.576 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000592390442 448821203 /nfs/dbraw/zinc/82/12/03/448821203.db2.gz SSTQVWUDRDWXGX-CQSZACIVSA-N 1 0 339.417 1.578 20 5 EDBDRO CS[C@H](CO)[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592430868 448833018 /nfs/dbraw/zinc/83/30/18/448833018.db2.gz BJVGQLSOVYIDFJ-ZWNOBZJWSA-N 1 0 348.446 1.071 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000587029579 448833347 /nfs/dbraw/zinc/83/33/47/448833347.db2.gz DAHSKPYOJXLMHG-UHFFFAOYSA-N 1 0 343.343 1.498 20 5 EDBDRO C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC[C@H]2CC[NH2+]C2)C1=O ZINC000519760592 448837406 /nfs/dbraw/zinc/83/74/06/448837406.db2.gz BBIHVCUEGZNBAJ-BDJLRTHQSA-N 1 0 332.360 1.361 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[N@@H+]2CC[C@H](C)C2)c1F ZINC000574289871 448838655 /nfs/dbraw/zinc/83/86/55/448838655.db2.gz YIKLRKBMMDHOGZ-NSHDSACASA-N 1 0 339.367 1.743 20 5 EDBDRO CN(CCN1CC[NH2+]CC1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000592469010 448850428 /nfs/dbraw/zinc/85/04/28/448850428.db2.gz TYFDTMYFJPOYGU-UHFFFAOYSA-N 1 0 347.419 1.146 20 5 EDBDRO CS[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@@H]1[NH+](C)C ZINC000588007934 448856217 /nfs/dbraw/zinc/85/62/17/448856217.db2.gz SONMNWBSSMMNQQ-STQMWFEESA-N 1 0 326.422 1.151 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)CCC[NH3+] ZINC000568510080 448882945 /nfs/dbraw/zinc/88/29/45/448882945.db2.gz AQIJHVTZIUCUBR-KOLCDFICSA-N 1 0 326.401 1.071 20 5 EDBDRO [NH3+]CC12CCC(CC1)CN2[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000574652229 448925888 /nfs/dbraw/zinc/92/58/88/448925888.db2.gz VNVFUBRNIOTVPQ-MNQCNDSGSA-N 1 0 344.415 1.903 20 5 EDBDRO CC(C)[C@H]1CN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000592543479 448890453 /nfs/dbraw/zinc/89/04/53/448890453.db2.gz CNJIPXTYIWCADR-SWLSCSKDSA-N 1 0 348.403 1.170 20 5 EDBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])c1 ZINC000548059677 448977587 /nfs/dbraw/zinc/97/75/87/448977587.db2.gz OCSVKBKOTKAERV-UHFFFAOYSA-N 1 0 343.387 1.954 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)c1 ZINC000569213788 448980261 /nfs/dbraw/zinc/98/02/61/448980261.db2.gz CRLHTBPBNXEPNV-CYBMUJFWSA-N 1 0 340.767 1.474 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589508352 449026736 /nfs/dbraw/zinc/02/67/36/449026736.db2.gz JIYVQVJEJDCFGU-CHWSQXEVSA-N 1 0 335.360 1.386 20 5 EDBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c([N+](=O)[O-])c1 ZINC000595608785 449077148 /nfs/dbraw/zinc/07/71/48/449077148.db2.gz WIYQGNNKVBLPDY-CYBMUJFWSA-N 1 0 347.375 1.596 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])c1 ZINC000521994187 449036803 /nfs/dbraw/zinc/03/68/03/449036803.db2.gz YFJMDIYQRLHGJD-NEPJUHHUSA-N 1 0 337.376 1.572 20 5 EDBDRO CC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc2C1 ZINC000582296474 449059887 /nfs/dbraw/zinc/05/98/87/449059887.db2.gz JUYDFPUSEJOMJD-MRXNPFEDSA-N 1 0 330.388 1.547 20 5 EDBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593580559 449088193 /nfs/dbraw/zinc/08/81/93/449088193.db2.gz GUCHREBKYHUKIC-UHFFFAOYSA-N 1 0 342.421 1.486 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[C@@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000590010822 449096200 /nfs/dbraw/zinc/09/62/00/449096200.db2.gz ZOKMTNZFBQJPRR-MLGOLLRUSA-N 1 0 348.403 1.568 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC000590011675 449096570 /nfs/dbraw/zinc/09/65/70/449096570.db2.gz LRQHSOISGNEXLU-XJKSGUPXSA-N 1 0 330.388 1.120 20 5 EDBDRO Cc1c(NC(=O)CCN2CC[C@H]3C[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590011758 449096669 /nfs/dbraw/zinc/09/66/69/449096669.db2.gz ORTVELYIJLKZOJ-XJKSGUPXSA-N 1 0 332.404 1.868 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599892440 449102657 /nfs/dbraw/zinc/10/26/57/449102657.db2.gz XDFABDRFMIGOOS-AWEZNQCLSA-N 1 0 346.387 1.497 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)c1 ZINC000593024990 449105959 /nfs/dbraw/zinc/10/59/59/449105959.db2.gz QJGYJCROUZGUMW-STQMWFEESA-N 1 0 335.360 1.515 20 5 EDBDRO C[C@@H]1CC[C@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C[NH2+]1 ZINC000599941051 449119462 /nfs/dbraw/zinc/11/94/62/449119462.db2.gz RNZUEIDQKYCTSX-KGLIPLIRSA-N 1 0 347.419 1.567 20 5 EDBDRO Cc1cc(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000597941938 449152823 /nfs/dbraw/zinc/15/28/23/449152823.db2.gz HINILIFLPUWASF-AWEZNQCLSA-N 1 0 336.436 1.905 20 5 EDBDRO CCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000597945012 449154116 /nfs/dbraw/zinc/15/41/16/449154116.db2.gz GKBDSDKARMXSBI-MRXNPFEDSA-N 1 0 343.387 1.947 20 5 EDBDRO CCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000597946906 449155399 /nfs/dbraw/zinc/15/53/99/449155399.db2.gz SFTGITHMSOYKMN-CYBMUJFWSA-N 1 0 335.360 1.548 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3COC[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000595757581 449150191 /nfs/dbraw/zinc/15/01/91/449150191.db2.gz KSDDAUUWTPVNGI-PXAZEXFGSA-N 1 0 349.387 1.900 20 5 EDBDRO CCc1ccc(C(=O)NCCN(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000597989297 449173901 /nfs/dbraw/zinc/17/39/01/449173901.db2.gz BVONNUYGKHQVTO-UHFFFAOYSA-N 1 0 336.436 1.771 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000595821129 449184656 /nfs/dbraw/zinc/18/46/56/449184656.db2.gz ARLOQLRVLJTEAL-HNNXBMFYSA-N 1 0 336.392 1.043 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NCC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000597999952 449185284 /nfs/dbraw/zinc/18/52/84/449185284.db2.gz UATWVHRMMOSLQJ-GFCCVEGCSA-N 1 0 336.392 1.089 20 5 EDBDRO CN(C)C(=O)N(C)[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000595825158 449189395 /nfs/dbraw/zinc/18/93/95/449189395.db2.gz CGSKVIVEBYEALE-ZDUSSCGKSA-N 1 0 336.392 1.661 20 5 EDBDRO CN(c1ccccc1)[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595827925 449190286 /nfs/dbraw/zinc/19/02/86/449190286.db2.gz SCPNZBMHSALDSY-INIZCTEOSA-N 1 0 342.399 1.967 20 5 EDBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000593856159 449240701 /nfs/dbraw/zinc/24/07/01/449240701.db2.gz WAHAPNKECBYGNU-CYBMUJFWSA-N 1 0 347.396 1.701 20 5 EDBDRO O=[N+]([O-])c1cc2c(cc1C[N@H+]1C[C@@H]3CCC[C@]3(CO)C1)OCCO2 ZINC000600207856 449243989 /nfs/dbraw/zinc/24/39/89/449243989.db2.gz OSJHXBLQOZBUIA-SUMWQHHRSA-N 1 0 334.372 1.960 20 5 EDBDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274881 449245855 /nfs/dbraw/zinc/24/58/55/449245855.db2.gz KSKDAGOLQHJTJZ-INIZCTEOSA-N 1 0 336.344 1.751 20 5 EDBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C[NH3+])C(F)(F)F ZINC000595910686 449247301 /nfs/dbraw/zinc/24/73/01/449247301.db2.gz XEUWVEKQZMBOLZ-JTQLQIEISA-N 1 0 345.281 1.966 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC2CC1(C[NH3+])C2 ZINC000595911988 449249326 /nfs/dbraw/zinc/24/93/26/449249326.db2.gz XOHGYZWBJVTRQI-UHFFFAOYSA-N 1 0 334.376 1.355 20 5 EDBDRO CC1(C)CC[NH2+][C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000595929789 449259771 /nfs/dbraw/zinc/25/97/71/449259771.db2.gz YVSMLJRKYGXOIV-AWEZNQCLSA-N 1 0 333.392 1.027 20 5 EDBDRO Cn1nnnc1CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000611314543 449260660 /nfs/dbraw/zinc/26/06/60/449260660.db2.gz CVSGFLCKMDONFV-UHFFFAOYSA-N 1 0 345.388 1.574 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCS(=O)(=O)CC2)cc1 ZINC000602002847 449271398 /nfs/dbraw/zinc/27/13/98/449271398.db2.gz BMYJRYGDLFAERG-GFCCVEGCSA-N 1 0 328.390 1.531 20 5 EDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000590752370 449271662 /nfs/dbraw/zinc/27/16/62/449271662.db2.gz MHRUOXFVJNELBC-NEPJUHHUSA-N 1 0 335.360 1.855 20 5 EDBDRO Cn1c(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1[N+](=O)[O-] ZINC000593919192 449287690 /nfs/dbraw/zinc/28/76/90/449287690.db2.gz NTYUMUVQZQGMHY-SCRDCRAPSA-N 1 0 336.392 1.434 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000593935277 449295493 /nfs/dbraw/zinc/29/54/93/449295493.db2.gz ZXCZMGQRDMWVAW-MDZLAQPJSA-N 1 0 334.376 1.051 20 5 EDBDRO O=[N+]([O-])c1cnc(N2CC(N3CC[C@@H](O)C3)C2)c(Br)c1 ZINC000593504977 449313826 /nfs/dbraw/zinc/31/38/26/449313826.db2.gz SMHKGBIMLXZTBF-SNVBAGLBSA-N 1 0 343.181 1.008 20 5 EDBDRO COc1ccc(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000602078861 449327330 /nfs/dbraw/zinc/32/73/30/449327330.db2.gz AHXQPULTJIHPNE-WFASDCNBSA-N 1 0 335.360 1.083 20 5 EDBDRO C[NH+](C)CC1(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000602102349 449346736 /nfs/dbraw/zinc/34/67/36/449346736.db2.gz PBXMITWQSYVWMW-LBPRGKRZSA-N 1 0 333.392 1.344 20 5 EDBDRO C[C@@H](Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000596125738 449376294 /nfs/dbraw/zinc/37/62/94/449376294.db2.gz FFXZUFCDLYERII-SNVBAGLBSA-N 1 0 342.421 1.384 20 5 EDBDRO CC(C)C[NH+]1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596052673 449338522 /nfs/dbraw/zinc/33/85/22/449338522.db2.gz GVCXAZAUMWTEIU-UHFFFAOYSA-N 1 0 342.421 1.020 20 5 EDBDRO CC(C)[NH2+][C@@H]1CCCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000611749868 449405826 /nfs/dbraw/zinc/40/58/26/449405826.db2.gz UEARONCWWXJPKE-LLVKDONJSA-N 1 0 342.421 1.209 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598511891 449435513 /nfs/dbraw/zinc/43/55/13/449435513.db2.gz UGOQHNMFCIZKQR-OAHLLOKOSA-N 1 0 343.387 1.490 20 5 EDBDRO COC(=O)[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000600523868 449424637 /nfs/dbraw/zinc/42/46/37/449424637.db2.gz WPBBKVMSXNKMTH-ZLENFMNRSA-N 1 0 349.387 1.439 20 5 EDBDRO COC(=O)[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000600536926 449430355 /nfs/dbraw/zinc/43/03/55/449430355.db2.gz LYYNVZUHVDVVIX-BDJLRTHQSA-N 1 0 335.360 1.051 20 5 EDBDRO Cc1nn(CCC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c(C)c1[N+](=O)[O-] ZINC000600470171 449395458 /nfs/dbraw/zinc/39/54/58/449395458.db2.gz GWQYHJFGPYELHJ-OAHLLOKOSA-N 1 0 349.435 1.931 20 5 EDBDRO O=[N+]([O-])c1ccc2ncnc(NC[C@H](O)C[NH+]3CCCCC3)c2c1 ZINC000596277006 449452205 /nfs/dbraw/zinc/45/22/05/449452205.db2.gz DSMXPUCRRFEDKY-ZDUSSCGKSA-N 1 0 331.376 1.797 20 5 EDBDRO O=[N+]([O-])c1c(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ncnc1N1CCOCC1 ZINC000598590574 449479652 /nfs/dbraw/zinc/47/96/52/449479652.db2.gz PACICIUKIINXQN-CHWSQXEVSA-N 1 0 348.407 1.260 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000600668954 449483217 /nfs/dbraw/zinc/48/32/17/449483217.db2.gz HDEWIPANWVXMTN-IMRBUKKESA-N 1 0 325.390 1.084 20 5 EDBDRO C[C@@H]1C[C@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000598599432 449484477 /nfs/dbraw/zinc/48/44/77/449484477.db2.gz OBWNYFSRTNKGQQ-VXGBXAGGSA-N 1 0 336.396 1.116 20 5 EDBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCCC[C@H]1CCC[NH2+]1 ZINC000598665239 449527002 /nfs/dbraw/zinc/52/70/02/449527002.db2.gz NLNZVUSMRNONSL-GFCCVEGCSA-N 1 0 349.391 1.365 20 5 EDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600744237 449529809 /nfs/dbraw/zinc/52/98/09/449529809.db2.gz AYPUJEAHEHEERA-JLZZUVOBSA-N 1 0 332.404 1.853 20 5 EDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600746177 449530531 /nfs/dbraw/zinc/53/05/31/449530531.db2.gz IDEDNHLVZITDKC-AFAVFJNCSA-N 1 0 332.404 1.853 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000600758207 449537911 /nfs/dbraw/zinc/53/79/11/449537911.db2.gz WNDWCVLZTSLZTB-HZPDHXFCSA-N 1 0 349.431 1.941 20 5 EDBDRO CNS(=O)(=O)c1ccc(NCC[C@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596424755 449496226 /nfs/dbraw/zinc/49/62/26/449496226.db2.gz LDSSIBFCUSVJHT-JTQLQIEISA-N 1 0 330.410 1.255 20 5 EDBDRO CNc1nccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594417691 449504213 /nfs/dbraw/zinc/50/42/13/449504213.db2.gz FBKUBXJXILFYRL-OLZOCXBDSA-N 1 0 333.392 1.778 20 5 EDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000600714138 449512418 /nfs/dbraw/zinc/51/24/18/449512418.db2.gz PRSXGFXNWRZWRA-AWEZNQCLSA-N 1 0 347.419 1.299 20 5 EDBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)[NH+](C)C ZINC000594547224 449571164 /nfs/dbraw/zinc/57/11/64/449571164.db2.gz GDIIGLJOVDADPA-LLVKDONJSA-N 1 0 326.372 1.933 20 5 EDBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000600808820 449556319 /nfs/dbraw/zinc/55/63/19/449556319.db2.gz SEATXIVEJFSYGE-JTQLQIEISA-N 1 0 347.293 1.410 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)CC(C)(C)C[NH3+])c(C)c1[N+](=O)[O-] ZINC000598716547 449560746 /nfs/dbraw/zinc/56/07/46/449560746.db2.gz MFYKZZOAOUYFRU-UHFFFAOYSA-N 1 0 329.422 1.817 20 5 EDBDRO COc1ccc(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000612104337 449563955 /nfs/dbraw/zinc/56/39/55/449563955.db2.gz NMBREKKCKOPMJC-CQSZACIVSA-N 1 0 347.371 1.870 20 5 EDBDRO NC(=O)c1ccc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000594598823 449589403 /nfs/dbraw/zinc/58/94/03/449589403.db2.gz KANKHYKAVJYMLT-CQSZACIVSA-N 1 0 348.403 1.385 20 5 EDBDRO C[C@H]1CC[C@@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C[NH2+]1 ZINC000600954522 449615408 /nfs/dbraw/zinc/61/54/08/449615408.db2.gz DNUBHHZXNZFYGN-DZGCQCFKSA-N 1 0 334.420 1.979 20 5 EDBDRO Cc1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)ncn1 ZINC000602579233 449685286 /nfs/dbraw/zinc/68/52/86/449685286.db2.gz CHNAHGUVHSPAPO-UHFFFAOYSA-N 1 0 328.376 1.847 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598899253 449636871 /nfs/dbraw/zinc/63/68/71/449636871.db2.gz ZOQOHMSJFKDMPG-GFCCVEGCSA-N 1 0 349.391 1.126 20 5 EDBDRO C[C@@H](CN1CCOCC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602514683 449641727 /nfs/dbraw/zinc/64/17/27/449641727.db2.gz LHEBDXZZJIOPKA-AWEZNQCLSA-N 1 0 349.435 1.269 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCO[C@@H]2CC2(F)F)c1 ZINC000594715783 449643892 /nfs/dbraw/zinc/64/38/92/449643892.db2.gz CNIKDXGSKURGTE-DGCLKSJQSA-N 1 0 332.303 1.348 20 5 EDBDRO C[C@H]1CC2(CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000598913223 449644166 /nfs/dbraw/zinc/64/41/66/449644166.db2.gz FMSKFUGPQBTIBN-LBPRGKRZSA-N 1 0 346.387 1.524 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000594787711 449695878 /nfs/dbraw/zinc/69/58/78/449695878.db2.gz CUUPJRZJUFUWRA-GFCCVEGCSA-N 1 0 341.433 1.994 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000602598469 449695977 /nfs/dbraw/zinc/69/59/77/449695977.db2.gz ZLCNUDPJSMGHFV-YWVKMMECSA-N 1 0 327.768 1.964 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC(O)(C[NH+]3CCOCC3)CC2)s1 ZINC000612452077 449712791 /nfs/dbraw/zinc/71/27/91/449712791.db2.gz QDGMKVYPPUTBNW-UHFFFAOYSA-N 1 0 327.406 1.320 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000599106670 449739676 /nfs/dbraw/zinc/73/96/76/449739676.db2.gz GPKWZSJVLFQJJU-NWDGAFQWSA-N 1 0 327.406 1.630 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCN3CC=CCC3)CC2)cn1 ZINC000602638616 449721418 /nfs/dbraw/zinc/72/14/18/449721418.db2.gz ROUPHMIDORBPKX-UHFFFAOYSA-N 1 0 331.420 1.810 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599106311 449738902 /nfs/dbraw/zinc/73/89/02/449738902.db2.gz GNYLOUDEBSSZOA-CYBMUJFWSA-N 1 0 325.390 1.466 20 5 EDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000601163587 449726354 /nfs/dbraw/zinc/72/63/54/449726354.db2.gz KWNGMZWDMUBIMY-DTWKUNHWSA-N 1 0 349.313 1.256 20 5 EDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1Nc1cnn(CC[NH+](C)C)c1 ZINC000601109750 449695078 /nfs/dbraw/zinc/69/50/78/449695078.db2.gz XUVJDUKOWMIEDR-UHFFFAOYSA-N 1 0 347.301 1.849 20 5 EDBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC[C@@H](O)C2)nc1-c1ccc(F)cc1 ZINC000599175504 449780447 /nfs/dbraw/zinc/78/04/47/449780447.db2.gz DEBYICPINOCZLZ-CQSZACIVSA-N 1 0 346.362 2.274 20 5 EDBDRO CC[C@@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599181247 449782742 /nfs/dbraw/zinc/78/27/42/449782742.db2.gz UUOIRIMNURDUCQ-DTWKUNHWSA-N 1 0 333.435 1.637 20 5 EDBDRO CC1([NH+]2CCOCC2)CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000599160651 449769620 /nfs/dbraw/zinc/76/96/20/449769620.db2.gz QHBHTJRQZBQDBC-UHFFFAOYSA-N 1 0 348.403 1.385 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CCN(C)CC(=O)NCc1cccs1 ZINC000602782981 449805689 /nfs/dbraw/zinc/80/56/89/449805689.db2.gz DGDTUEROVOMRAQ-UHFFFAOYSA-N 1 0 337.405 1.409 20 5 EDBDRO CC[NH+]1CCC(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000601304340 449814402 /nfs/dbraw/zinc/81/44/02/449814402.db2.gz NOSHKZKWWMVCQW-UHFFFAOYSA-N 1 0 345.396 1.805 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000602830206 449842015 /nfs/dbraw/zinc/84/20/15/449842015.db2.gz AQTRRJBBKQGNHK-CQSZACIVSA-N 1 0 332.408 1.959 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000595077919 449857679 /nfs/dbraw/zinc/85/76/79/449857679.db2.gz LAOYNARBBVZQJS-LRDDRELGSA-N 1 0 340.376 1.422 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601352416 449866030 /nfs/dbraw/zinc/86/60/30/449866030.db2.gz UPQGRWGMXBHAIC-OCCSQVGLSA-N 1 0 339.417 1.666 20 5 EDBDRO Cn1cc(C[N@H+](C)C[C@@H]2COCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597204425 449868807 /nfs/dbraw/zinc/86/88/07/449868807.db2.gz BMPJFHZRQQHTDD-MRXNPFEDSA-N 1 0 346.387 1.843 20 5 EDBDRO CN(CCc1cccc([N+](=O)[O-])c1)S(=O)(=O)CCC[NH+](C)C ZINC000601412418 449928959 /nfs/dbraw/zinc/92/89/59/449928959.db2.gz PZLFXOJWEWFCIJ-UHFFFAOYSA-N 1 0 329.422 1.351 20 5 EDBDRO C[C@@]12C[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000602935305 449936405 /nfs/dbraw/zinc/93/64/05/449936405.db2.gz KCNJXYQVEXEYCW-GJZGRUSLSA-N 1 0 337.763 1.733 20 5 EDBDRO CCc1nn(C)c(N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000614977806 449901979 /nfs/dbraw/zinc/90/19/79/449901979.db2.gz LYHZEGROTSVQDA-CHWSQXEVSA-N 1 0 339.465 1.907 20 5 EDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000609269502 449996498 /nfs/dbraw/zinc/99/64/98/449996498.db2.gz RVZXEJHRPWGNEO-LBPRGKRZSA-N 1 0 337.376 1.444 20 5 EDBDRO CC(C)(C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000595223293 449957825 /nfs/dbraw/zinc/95/78/25/449957825.db2.gz YKALSVVYVMGKQK-CQSZACIVSA-N 1 0 349.435 1.765 20 5 EDBDRO Cn1cc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595261385 449984113 /nfs/dbraw/zinc/98/41/13/449984113.db2.gz YPKBRAWXPLHMPL-ZIAGYGMSSA-N 1 0 347.350 1.507 20 5 EDBDRO Cc1ccc(NCCCNC(=O)N2CC3CC2(C[NH3+])C3)c([N+](=O)[O-])c1 ZINC000595262035 449984256 /nfs/dbraw/zinc/98/42/56/449984256.db2.gz HAKHDKVSLKRIHO-UHFFFAOYSA-N 1 0 347.419 1.838 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000609269833 449995710 /nfs/dbraw/zinc/99/57/10/449995710.db2.gz XZLUKGLMIVABSR-CYBMUJFWSA-N 1 0 337.376 1.444 20 5 EDBDRO C[C@H](C(=O)N[C@H](CO)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000603051362 450035855 /nfs/dbraw/zinc/03/58/55/450035855.db2.gz BHZJPYRVSLCDNJ-RYUDHWBXSA-N 1 0 339.367 1.410 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000595344836 450059340 /nfs/dbraw/zinc/05/93/40/450059340.db2.gz JNZVVXSUWWFCDP-HNNXBMFYSA-N 1 0 341.433 1.841 20 5 EDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000599609848 450101864 /nfs/dbraw/zinc/10/18/64/450101864.db2.gz BWZWRXWDBPHZLX-ZDUSSCGKSA-N 1 0 349.391 1.034 20 5 EDBDRO CNc1ccc(C(=O)N2CC[C@@H](N3CCC3)[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000597576697 450120910 /nfs/dbraw/zinc/12/09/10/450120910.db2.gz XTEQELNYFAHQMP-GXTWGEPZSA-N 1 0 336.367 1.895 20 5 EDBDRO C[N@@H+]1CCC[C@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000618366884 450175459 /nfs/dbraw/zinc/17/54/59/450175459.db2.gz WTBOMZDFHJMGJN-JTQLQIEISA-N 1 0 332.364 1.365 20 5 EDBDRO CO[C@@H](C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@@H]1CCOC1 ZINC000595524632 450206160 /nfs/dbraw/zinc/20/61/60/450206160.db2.gz YUXTWKBJRXNBJF-HIFRSBDPSA-N 1 0 336.392 1.163 20 5 EDBDRO Cc1noc(CN2CCC(CO)([NH2+]CC(C)C)CC2)c1[N+](=O)[O-] ZINC000595512483 450198849 /nfs/dbraw/zinc/19/88/49/450198849.db2.gz OQBCZTRUDVIAJG-UHFFFAOYSA-N 1 0 326.397 1.464 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCOC[C@H]2CCOC2)n1 ZINC000618568479 450247682 /nfs/dbraw/zinc/24/76/82/450247682.db2.gz WPAVQSWBUYLIIT-SOUVJXGZSA-N 1 0 338.408 1.918 20 5 EDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)C1 ZINC000618584526 450253291 /nfs/dbraw/zinc/25/32/91/450253291.db2.gz SVLWKFUFZAZGHJ-AWEZNQCLSA-N 1 0 344.419 1.687 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000603431526 450299968 /nfs/dbraw/zinc/29/99/68/450299968.db2.gz ISDALDOTQKRPAW-UHFFFAOYSA-N 1 0 336.392 1.839 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000610761883 450325899 /nfs/dbraw/zinc/32/58/99/450325899.db2.gz KKOUMVSNIOXQBB-CYBMUJFWSA-N 1 0 344.371 1.903 20 5 EDBDRO O=C(NCCC1CC[NH2+]CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000593918842 490994934 /nfs/dbraw/zinc/99/49/34/490994934.db2.gz KNHADNCWDDHDGY-UHFFFAOYSA-N 1 0 343.387 1.900 20 5 EDBDRO COC(=O)c1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000186916832 533729551 /nfs/dbraw/zinc/72/95/51/533729551.db2.gz QVOQIRDYFRRWKI-CUOATXAZSA-N 1 0 333.344 1.191 20 5 EDBDRO CC(C)(C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)n1cc([N+](=O)[O-])cn1 ZINC000262288870 534318190 /nfs/dbraw/zinc/31/81/90/534318190.db2.gz VUIJAHJMEBDPMV-LSDHHAIUSA-N 1 0 343.387 1.480 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000159868870 534320324 /nfs/dbraw/zinc/32/03/24/534320324.db2.gz XCKZYBLLFPHWDC-UXLLHSPISA-N 1 0 346.431 1.563 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184386142 534334917 /nfs/dbraw/zinc/33/49/17/534334917.db2.gz CQFZPKZRISAJLT-AWEZNQCLSA-N 1 0 334.420 1.659 20 5 EDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000237933019 518197346 /nfs/dbraw/zinc/19/73/46/518197346.db2.gz IRWPVKFYOOLINF-GXTWGEPZSA-N 1 0 327.406 1.532 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000173819764 534344285 /nfs/dbraw/zinc/34/42/85/534344285.db2.gz HJIZGXPFFOCXKW-OCCSQVGLSA-N 1 0 339.417 1.760 20 5 EDBDRO CC(C)CCOC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174736152 527746603 /nfs/dbraw/zinc/74/66/03/527746603.db2.gz AADFUCDXVFMFNU-OAHLLOKOSA-N 1 0 340.424 1.679 20 5 EDBDRO CC1(C)NC(=O)N(CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1=O ZINC000153275392 527789563 /nfs/dbraw/zinc/78/95/63/527789563.db2.gz ZZGXYAQTYNYPBR-UHFFFAOYSA-N 1 0 346.387 1.890 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000173739420 527824884 /nfs/dbraw/zinc/82/48/84/527824884.db2.gz QUFKUYLUDBKPAR-CYBMUJFWSA-N 1 0 348.403 1.642 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@H](C[NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000172029435 528142860 /nfs/dbraw/zinc/14/28/60/528142860.db2.gz XFJCUUITJVSKBB-GFCCVEGCSA-N 1 0 349.387 1.795 20 5 EDBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000173917111 528186521 /nfs/dbraw/zinc/18/65/21/528186521.db2.gz MPGWRKCOFLYBJL-CYBMUJFWSA-N 1 0 341.433 1.947 20 5 EDBDRO CC(C)[N@H+](CCc1nccs1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000159885445 528917005 /nfs/dbraw/zinc/91/70/05/528917005.db2.gz NYFAKZYSWAKCHK-ZDUSSCGKSA-N 1 0 339.421 1.562 20 5 EDBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000270765777 535820094 /nfs/dbraw/zinc/82/00/94/535820094.db2.gz GPSHMAKPROKEDG-GFCCVEGCSA-N 1 0 337.424 1.959 20 5 EDBDRO CNS(=O)(=O)c1ccc(NC[C@@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000261924517 536319523 /nfs/dbraw/zinc/31/95/23/536319523.db2.gz SBGNPPRJZHWFLS-AWEZNQCLSA-N 1 0 342.421 1.305 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000353179239 536476643 /nfs/dbraw/zinc/47/66/43/536476643.db2.gz DKSIXWJWJLIECI-GHMZBOCLSA-N 1 0 326.349 1.396 20 5 EDBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000726867488 578364534 /nfs/dbraw/zinc/36/45/34/578364534.db2.gz JQTOJJUCSABXMU-LBPRGKRZSA-N 1 0 346.391 1.242 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCCC[NH+]1CCCC1 ZINC000729303810 578563440 /nfs/dbraw/zinc/56/34/40/578563440.db2.gz XSMUSXQGQFPYMT-UHFFFAOYSA-N 1 0 325.340 1.715 20 5 EDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000732138450 578693205 /nfs/dbraw/zinc/69/32/05/578693205.db2.gz CMJDSWUGEOXWKK-OAHLLOKOSA-N 1 0 345.403 1.935 20 5 EDBDRO CC(C)OCC[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000788066352 578839703 /nfs/dbraw/zinc/83/97/03/578839703.db2.gz DMVDQUYKTRBMSV-KRWDZBQOSA-N 1 0 337.420 1.893 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000777799472 580450631 /nfs/dbraw/zinc/45/06/31/580450631.db2.gz CZMVEPCXMCUXST-SECBINFHSA-N 1 0 333.373 1.566 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(O[C@H]3CCOC3)CC2)c1 ZINC000749685185 579734964 /nfs/dbraw/zinc/73/49/64/579734964.db2.gz BXEHZBQXVGBFMV-IRXDYDNUSA-N 1 0 336.388 1.898 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000762587630 580078285 /nfs/dbraw/zinc/07/82/85/580078285.db2.gz PZQVUWHJRMKGHI-UHFFFAOYSA-N 1 0 329.784 1.898 20 5 EDBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771508573 580288122 /nfs/dbraw/zinc/28/81/22/580288122.db2.gz IJOKBLRWNWQWPB-UHFFFAOYSA-N 1 0 335.389 1.767 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000776590133 580422877 /nfs/dbraw/zinc/42/28/77/580422877.db2.gz YKGPAQWFIAXZPD-RHSMWYFYSA-N 1 0 335.404 1.282 20 5 EDBDRO Cn1nc(Br)cc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000785488426 580645641 /nfs/dbraw/zinc/64/56/41/580645641.db2.gz RNQFNIVDIKTTDT-UHFFFAOYSA-N 1 0 329.158 1.077 20 5 EDBDRO C[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788662187 580727386 /nfs/dbraw/zinc/72/73/86/580727386.db2.gz BZTAPTULIJAOBT-ABAIWWIYSA-N 1 0 348.403 1.608 20 5 EDBDRO C[NH+]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2)CC1 ZINC000794618215 580899891 /nfs/dbraw/zinc/89/98/91/580899891.db2.gz BQBLCDJKGFLIAX-UHFFFAOYSA-N 1 0 330.348 1.322 20 5 EDBDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796375434 580952482 /nfs/dbraw/zinc/95/24/82/580952482.db2.gz JBOGGBGCFIDAOF-COXVUDFISA-N 1 0 335.404 1.423 20 5 EDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000798143704 580988304 /nfs/dbraw/zinc/98/83/04/580988304.db2.gz GFPVAYFLZVIBJI-LBPRGKRZSA-N 1 0 338.408 1.308 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000891838294 590646258 /nfs/dbraw/zinc/64/62/58/590646258.db2.gz OIRXHNYRMVCKMM-UHFFFAOYSA-N 1 0 344.419 1.688 20 5 EDBDRO Cn1nc2c(c1C[N@@H+]1CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C1)CCC2 ZINC000892079006 590787416 /nfs/dbraw/zinc/78/74/16/590787416.db2.gz VUTMIIVMKSYZMJ-GFCCVEGCSA-N 1 0 342.403 1.898 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000892145491 590821358 /nfs/dbraw/zinc/82/13/58/590821358.db2.gz SJBZXPLJLQFCGG-OLZOCXBDSA-N 1 0 346.362 1.979 20 5 EDBDRO Cn1c2ccccc2c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1=O ZINC000893549210 590953515 /nfs/dbraw/zinc/95/35/15/590953515.db2.gz NGXMSQSGSJCCEZ-TXEJJXNPSA-N 1 0 328.372 1.445 20 5 EDBDRO COc1cc(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)c([N+](=O)[O-])cc1OC ZINC000892800468 591184835 /nfs/dbraw/zinc/18/48/35/591184835.db2.gz RTVATHYGUVWCJN-KRWDZBQOSA-N 1 0 349.387 1.826 20 5 EDBDRO CC[NH+]1CCN(CCNc2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1 ZINC000891757940 591213941 /nfs/dbraw/zinc/21/39/41/591213941.db2.gz XRYPUCZDQYKBIC-UHFFFAOYSA-N 1 0 347.394 1.753 20 5 EDBDRO CN1CCN(C(=O)CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892927833 591228231 /nfs/dbraw/zinc/22/82/31/591228231.db2.gz VYGSSOZLTHKDOU-UHFFFAOYSA-N 1 0 340.811 1.502 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)c1C ZINC000896426373 591463870 /nfs/dbraw/zinc/46/38/70/591463870.db2.gz DJHXKHMYHKQNBK-ZDUSSCGKSA-N 1 0 334.420 1.577 20 5 EDBDRO C[N@@H+]1C[C@@H]2CN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C[C@]2(C)C1 ZINC000896914449 591678068 /nfs/dbraw/zinc/67/80/68/591678068.db2.gz GZQLJUJUYBRMAN-PXAZEXFGSA-N 1 0 330.388 1.867 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1[N+](=O)[O-] ZINC000897819233 591681892 /nfs/dbraw/zinc/68/18/92/591681892.db2.gz YBSJFTRTOQQMBR-QJOIDAIFSA-N 1 0 348.355 1.412 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000895338598 591719379 /nfs/dbraw/zinc/71/93/79/591719379.db2.gz SPCHDOQOZUMBBD-AWEZNQCLSA-N 1 0 330.768 1.506 20 5 EDBDRO COc1cc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(F)cc1[N+](=O)[O-] ZINC000897221078 591775786 /nfs/dbraw/zinc/77/57/86/591775786.db2.gz GVRZZYXWOZUGPH-OLZOCXBDSA-N 1 0 339.367 1.778 20 5 EDBDRO [NH3+][C@@]1(CO)CCCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000900376046 592000698 /nfs/dbraw/zinc/00/06/98/592000698.db2.gz TXZXVFDKQAXNQB-LBPRGKRZSA-N 1 0 330.182 1.647 20 5 EDBDRO CCOC(=O)c1cc(N2CC[NH2+]C[C@H]2CCOC)ccc1[N+](=O)[O-] ZINC000900437882 592017984 /nfs/dbraw/zinc/01/79/84/592017984.db2.gz DREVHUVBKPLGFD-CYBMUJFWSA-N 1 0 337.376 1.586 20 5 EDBDRO O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000902641069 592034565 /nfs/dbraw/zinc/03/45/65/592034565.db2.gz URRMUVWLOPPKRU-DLBZAZTESA-N 1 0 345.403 1.433 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000902670407 592044177 /nfs/dbraw/zinc/04/41/77/592044177.db2.gz DZQVNEBXSIHMKU-UHFFFAOYSA-N 1 0 332.360 1.006 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000903593633 592237533 /nfs/dbraw/zinc/23/75/33/592237533.db2.gz RICTTYFDHVTQLW-OAHLLOKOSA-N 1 0 339.417 1.728 20 5 EDBDRO CC1(C)CC[N@H+](CCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000908086718 592295036 /nfs/dbraw/zinc/29/50/36/592295036.db2.gz XOAHBHVDXBRXTP-UHFFFAOYSA-N 1 0 345.396 1.744 20 5 EDBDRO [NH3+]C[C@]12CC[C@@H]1CCN2CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000903855577 592347018 /nfs/dbraw/zinc/34/70/18/592347018.db2.gz OWUQJOBRMXTUHK-CXAGYDPISA-N 1 0 330.388 1.297 20 5 EDBDRO COC[C@H]1C[NH2+]CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000903881912 592361666 /nfs/dbraw/zinc/36/16/66/592361666.db2.gz VGKPHRAXWULBRX-LLVKDONJSA-N 1 0 342.783 1.107 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1CCC2(COC2)CC1 ZINC000905452223 592530887 /nfs/dbraw/zinc/53/08/87/592530887.db2.gz JSNYYMHWMUHCON-CQSZACIVSA-N 1 0 336.388 1.883 20 5 EDBDRO CC[C@@H](CN1CCOCC1)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000905656429 592598368 /nfs/dbraw/zinc/59/83/68/592598368.db2.gz LGMVBURFVVBJTL-LBPRGKRZSA-N 1 0 338.433 1.992 20 5 EDBDRO C[C@@H]1CN(Cn2cc(Br)c([N+](=O)[O-])n2)C[C@H](C)[N@H+]1C ZINC000840091111 593165743 /nfs/dbraw/zinc/16/57/43/593165743.db2.gz ZIFLAHLZRDEWRU-DTORHVGOSA-N 1 0 332.202 1.536 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(Cn3c(=O)oc4cccc([N+](=O)[O-])c43)CC[C@H]21 ZINC000794635243 593184209 /nfs/dbraw/zinc/18/42/09/593184209.db2.gz VANWPYQZSURQBD-QWHCGFSZSA-N 1 0 346.387 1.876 20 5 EDBDRO O=c1oc2cccc([N+](=O)[O-])c2n1CN1CC[C@H]([NH+]2CC=CC2)C1 ZINC000794635992 593184672 /nfs/dbraw/zinc/18/46/72/593184672.db2.gz ZKGMTPLQVFFDNA-LBPRGKRZSA-N 1 0 330.344 1.406 20 5 EDBDRO Cc1cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000839468130 593303466 /nfs/dbraw/zinc/30/34/66/593303466.db2.gz PAMKDBQZTCYMFB-ZDUSSCGKSA-N 1 0 348.403 1.832 20 5 EDBDRO CC(C)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000839590404 593345678 /nfs/dbraw/zinc/34/56/78/593345678.db2.gz UXILUNZITCASME-UHFFFAOYSA-N 1 0 348.403 1.914 20 5 EDBDRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839702115 593366025 /nfs/dbraw/zinc/36/60/25/593366025.db2.gz YTRAJKWOHFDYCU-ZIAGYGMSSA-N 1 0 325.409 1.051 20 5 EDBDRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000816625600 593536336 /nfs/dbraw/zinc/53/63/36/593536336.db2.gz IYXCHGHTZHVAQJ-SNVBAGLBSA-N 1 0 327.768 1.435 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000813741569 593552794 /nfs/dbraw/zinc/55/27/94/593552794.db2.gz RFDRTSUAAQKXBX-ONGXEEELSA-N 1 0 329.353 1.059 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000817373849 593598360 /nfs/dbraw/zinc/59/83/60/593598360.db2.gz OWHUNRUHBASNOL-CQSZACIVSA-N 1 0 330.392 1.837 20 5 EDBDRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C2)C1 ZINC000815065941 593613040 /nfs/dbraw/zinc/61/30/40/593613040.db2.gz SUYQQUMXUWZTDT-ZDUSSCGKSA-N 1 0 345.446 1.763 20 5 EDBDRO O=C(COC1CC[NH2+]CC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817960561 593651873 /nfs/dbraw/zinc/65/18/73/593651873.db2.gz OBXIONWYCBCUCX-UHFFFAOYSA-N 1 0 327.768 1.633 20 5 EDBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000817994650 593654851 /nfs/dbraw/zinc/65/48/51/593654851.db2.gz FWRWLHVMELZPRH-OQPBUACISA-N 1 0 327.743 1.750 20 5 EDBDRO Nc1ccc(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000818010731 593656916 /nfs/dbraw/zinc/65/69/16/593656916.db2.gz OOYVYGMRYYAILM-ZBFHGGJFSA-N 1 0 348.403 1.536 20 5 EDBDRO Cn1cc([C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3Cl)C[C@H]2[NH3+])cn1 ZINC000818340755 593693829 /nfs/dbraw/zinc/69/38/29/593693829.db2.gz PPBOXTMBZCZFAO-DZGCQCFKSA-N 1 0 335.795 1.908 20 5 EDBDRO Cc1c(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818564290 593704971 /nfs/dbraw/zinc/70/49/71/593704971.db2.gz ZDRUXKGJSIODPT-KCJUWKMLSA-N 1 0 336.348 1.929 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000818576063 593705319 /nfs/dbraw/zinc/70/53/19/593705319.db2.gz OXISYNUHEXKSGM-AEGPPILISA-N 1 0 343.387 1.530 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2COC3(CCOCC3)O2)c1 ZINC000819215088 593744528 /nfs/dbraw/zinc/74/45/28/593744528.db2.gz GPACMEVDBZVHBK-CABCVRRESA-N 1 0 338.360 1.140 20 5 EDBDRO CC(C)n1cc2c(n1)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000819218564 593744830 /nfs/dbraw/zinc/74/48/30/593744830.db2.gz PXOUAYLAIUXGGQ-GJZGRUSLSA-N 1 0 348.407 1.597 20 5 EDBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1n1cccn1 ZINC000819333783 593751017 /nfs/dbraw/zinc/75/10/17/593751017.db2.gz RWCKZJFTCSNATD-HZMVEIRTSA-N 1 0 346.387 1.833 20 5 EDBDRO CCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000819930267 593777651 /nfs/dbraw/zinc/77/76/51/593777651.db2.gz BZGBOLYGUQSYTQ-UHFFFAOYSA-N 1 0 330.410 1.020 20 5 EDBDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000830102566 594337039 /nfs/dbraw/zinc/33/70/39/594337039.db2.gz LLAWUFMPFGVWCR-ZYHUDNBSSA-N 1 0 331.166 1.861 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000826750814 594569713 /nfs/dbraw/zinc/56/97/13/594569713.db2.gz JPHGIJAYYQGFJP-AWEZNQCLSA-N 1 0 335.408 1.338 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)CC[C@@H]21 ZINC000827329412 594661509 /nfs/dbraw/zinc/66/15/09/594661509.db2.gz GLWLETLGJMFDIH-RISCZKNCSA-N 1 0 337.351 1.665 20 5 EDBDRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841167784 594861931 /nfs/dbraw/zinc/86/19/31/594861931.db2.gz LYVIWZBQZSBHCY-UHFFFAOYSA-N 1 0 342.783 1.691 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841216451 594870131 /nfs/dbraw/zinc/87/01/31/594870131.db2.gz GDISHRHXSFVPGL-LDYMZIIASA-N 1 0 340.767 1.301 20 5 EDBDRO COc1ccc(OS(=O)(=O)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000867180144 594975170 /nfs/dbraw/zinc/97/51/70/594975170.db2.gz TVBSEOKFTZNMLD-UHFFFAOYSA-N 1 0 344.389 1.798 20 5 EDBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000837135734 595041890 /nfs/dbraw/zinc/04/18/90/595041890.db2.gz SUIHHEJIXZSLRC-UHFFFAOYSA-N 1 0 349.435 1.323 20 5 EDBDRO COc1cc(OCC(=O)OC[C@@H]2CC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000845815883 595072144 /nfs/dbraw/zinc/07/21/44/595072144.db2.gz JKZNOOYHOXVCRD-NEPJUHHUSA-N 1 0 338.360 1.866 20 5 EDBDRO C[C@](C[NH3+])(NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000843355950 595085086 /nfs/dbraw/zinc/08/50/86/595085086.db2.gz OAHJMOFUCIIXBM-CQSZACIVSA-N 1 0 326.784 1.904 20 5 EDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843428134 595108810 /nfs/dbraw/zinc/10/88/10/595108810.db2.gz GSLAZHIFSBSHNV-LLVKDONJSA-N 1 0 340.811 1.800 20 5 EDBDRO C[NH2+]C[C@H](C)c1noc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)n1 ZINC000842580905 595132252 /nfs/dbraw/zinc/13/22/52/595132252.db2.gz JEQVZHNONZDKHF-JTQLQIEISA-N 1 0 348.363 1.300 20 5 EDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000834569092 595164949 /nfs/dbraw/zinc/16/49/49/595164949.db2.gz IXKBCIDIZNMROP-INIZCTEOSA-N 1 0 339.367 1.571 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc([N+](=O)[O-])c1F ZINC000842833995 595212241 /nfs/dbraw/zinc/21/22/41/595212241.db2.gz PTBLALVLXXQXBN-KOLCDFICSA-N 1 0 331.369 1.319 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000842836315 595212654 /nfs/dbraw/zinc/21/26/54/595212654.db2.gz QVEAQLUVIAMMHR-NXEZZACHSA-N 1 0 347.824 1.928 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1F ZINC000867310088 595229048 /nfs/dbraw/zinc/22/90/48/595229048.db2.gz WMLQILAEEBELGG-ZYHUDNBSSA-N 1 0 345.396 1.755 20 5 EDBDRO O=C(CC[NH2+]C[C@H](O)c1ccccn1)Nc1ccccc1[N+](=O)[O-] ZINC000843095683 595286438 /nfs/dbraw/zinc/28/64/38/595286438.db2.gz OZEHRNGILLYKOP-HNNXBMFYSA-N 1 0 330.344 1.642 20 5 EDBDRO COc1cc(C(=O)NOC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1F ZINC000846651391 595293779 /nfs/dbraw/zinc/29/37/79/595293779.db2.gz MWZCRNMMZVKALC-UHFFFAOYSA-N 1 0 327.312 1.498 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCCC1CC[NH2+]CC1 ZINC000846700345 595304048 /nfs/dbraw/zinc/30/40/48/595304048.db2.gz SOBKSUQTGKJQNF-UHFFFAOYSA-N 1 0 331.376 1.450 20 5 EDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000848022777 595305874 /nfs/dbraw/zinc/30/58/74/595305874.db2.gz APWFPBWGILIATH-GFCCVEGCSA-N 1 0 327.356 1.557 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H](N)CC[NH+](C)C)n2)c1 ZINC000844917611 595414309 /nfs/dbraw/zinc/41/43/09/595414309.db2.gz UCVPYEVIUSIPLK-GFCCVEGCSA-N 1 0 335.364 1.529 20 5 EDBDRO O=C(Cn1cnc([N+](=O)[O-])n1)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117102220 595531787 /nfs/dbraw/zinc/53/17/87/595531787.db2.gz JECRPONOGIBMFV-ZDUSSCGKSA-N 1 0 331.332 1.004 20 5 EDBDRO COC(=O)N(C)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000850548498 595533340 /nfs/dbraw/zinc/53/33/40/595533340.db2.gz SUUJZMLAVVBMJC-NWDGAFQWSA-N 1 0 325.369 1.563 20 5 EDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765587 595599891 /nfs/dbraw/zinc/59/98/91/595599891.db2.gz RMSDESQDKHJAPM-JTQLQIEISA-N 1 0 329.303 1.682 20 5 EDBDRO C[C@](C[NH3+])(NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000857764842 595599999 /nfs/dbraw/zinc/59/99/99/595599999.db2.gz BWNODZILRGTMQB-CYBMUJFWSA-N 1 0 329.303 1.810 20 5 EDBDRO O=C(N1CCC2(CC[NH2+]2)CC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766370 595600801 /nfs/dbraw/zinc/60/08/01/595600801.db2.gz LVFHVPVLYRJSOY-UHFFFAOYSA-N 1 0 341.314 1.921 20 5 EDBDRO C[NH2+]C[C@H]1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000857766028 595600888 /nfs/dbraw/zinc/60/08/88/595600888.db2.gz XGLIGTITHNIUAK-SNVBAGLBSA-N 1 0 329.303 1.634 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000850830304 595646669 /nfs/dbraw/zinc/64/66/69/595646669.db2.gz GHZVBCOPVGRQCF-UHFFFAOYSA-N 1 0 326.328 1.177 20 5 EDBDRO O=C1N(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]2CCCCN12 ZINC000853118831 595671392 /nfs/dbraw/zinc/67/13/92/595671392.db2.gz RWVXRKIWBYVLJD-CVEARBPZSA-N 1 0 348.403 1.508 20 5 EDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000853645993 595845415 /nfs/dbraw/zinc/84/54/15/595845415.db2.gz LARIGCIONXGOBR-PWSUYJOCSA-N 1 0 327.406 1.527 20 5 EDBDRO CC(C)OC[C@H]([NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000851628919 595860642 /nfs/dbraw/zinc/86/06/42/595860642.db2.gz NWGPJAAXLDOKGY-ZDUSSCGKSA-N 1 0 329.784 1.959 20 5 EDBDRO [NH2+]=C(COC[C@H]1CCOC1)NOCc1c(F)cc([N+](=O)[O-])cc1F ZINC000853729591 595865209 /nfs/dbraw/zinc/86/52/09/595865209.db2.gz XTXJKCJQPPVHCN-VIFPVBQESA-N 1 0 345.302 1.925 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000861033455 595870792 /nfs/dbraw/zinc/87/07/92/595870792.db2.gz MERWUZJCCGMNDL-AWEZNQCLSA-N 1 0 338.360 1.628 20 5 EDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000856414216 595982991 /nfs/dbraw/zinc/98/29/91/595982991.db2.gz DGXITGOSHQKKTA-UHFFFAOYSA-N 1 0 333.392 1.424 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000859272123 596026094 /nfs/dbraw/zinc/02/60/94/596026094.db2.gz MXKDRWSHDXZNQK-JTQLQIEISA-N 1 0 327.768 1.699 20 5 EDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000854650743 596150259 /nfs/dbraw/zinc/15/02/59/596150259.db2.gz UBJSIEFDRLEIGH-MFKMUULPSA-N 1 0 338.383 1.965 20 5 EDBDRO C[NH+](C)C1CC(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000857228353 596191628 /nfs/dbraw/zinc/19/16/28/596191628.db2.gz KFQPTYOWDVPGTR-UHFFFAOYSA-N 1 0 336.348 1.644 20 5 EDBDRO COc1ccc(NC(=O)CCN2CCC[C@@H]3[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC000866722250 596310115 /nfs/dbraw/zinc/31/01/15/596310115.db2.gz WJLTUDPIPMWVPU-DZGCQCFKSA-N 1 0 348.403 1.758 20 5 EDBDRO C[C@](N)(C(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000870879791 596387365 /nfs/dbraw/zinc/38/73/65/596387365.db2.gz NVLKNENQWOVHIF-DOTOQJQBSA-N 1 0 332.404 1.465 20 5 EDBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865414354 596566985 /nfs/dbraw/zinc/56/69/85/596566985.db2.gz PSVBBIHQUVZJSX-ZDUSSCGKSA-N 1 0 341.383 1.995 20 5 EDBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000869768782 596624233 /nfs/dbraw/zinc/62/42/33/596624233.db2.gz OJONAZATSUUOOM-UHFFFAOYSA-N 1 0 338.408 1.364 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1C ZINC000871813614 596709858 /nfs/dbraw/zinc/70/98/58/596709858.db2.gz VLHUGPKAPWZSFP-SWLSCSKDSA-N 1 0 339.417 1.442 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1 ZINC000872248603 596853497 /nfs/dbraw/zinc/85/34/97/596853497.db2.gz UXOCVTSBYSBFEL-YVVXQTMVSA-N 1 0 336.388 1.882 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)ccc1[N+](=O)[O-] ZINC000874366389 597038715 /nfs/dbraw/zinc/03/87/15/597038715.db2.gz HSHYVFQDGHSQFW-HUUCEWRRSA-N 1 0 346.387 1.537 20 5 EDBDRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000876469468 597211950 /nfs/dbraw/zinc/21/19/50/597211950.db2.gz CYTZBWGWCSIQHW-INIZCTEOSA-N 1 0 337.376 1.014 20 5 EDBDRO O=C1OCC[C@@H]1CCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000873162118 597215397 /nfs/dbraw/zinc/21/53/97/597215397.db2.gz HKTAUYSMAKHWSQ-NSHDSACASA-N 1 0 336.344 1.799 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCCC[C@H]3N3CCOCC3)C2)c1 ZINC000877111279 597435277 /nfs/dbraw/zinc/43/52/77/597435277.db2.gz IHFMZWNGQXVUHG-GMGZGELVSA-N 1 0 349.435 1.728 20 5 EDBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877281254 597485998 /nfs/dbraw/zinc/48/59/98/597485998.db2.gz GQCOGLDVYUXMHA-JSGCOSHPSA-N 1 0 341.371 1.747 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877345829 597497285 /nfs/dbraw/zinc/49/72/85/597497285.db2.gz KOMBDHCJAXTDOS-OAHLLOKOSA-N 1 0 341.367 1.804 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000877365216 597502190 /nfs/dbraw/zinc/50/21/90/597502190.db2.gz CZLBYCIJTDSNFJ-GZMMTYOYSA-N 1 0 347.293 1.813 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000877370716 597503373 /nfs/dbraw/zinc/50/33/73/597503373.db2.gz GHWXLMRRDVFQMD-UWVGGRQHSA-N 1 0 347.293 1.569 20 5 EDBDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000877726162 597551472 /nfs/dbraw/zinc/55/14/72/597551472.db2.gz FYZOOACLUQJCJF-ZWNOBZJWSA-N 1 0 328.752 1.916 20 5 EDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000878360043 597597671 /nfs/dbraw/zinc/59/76/71/597597671.db2.gz XMGDESGECIBDDK-GFCCVEGCSA-N 1 0 349.387 1.828 20 5 EDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881470109 597629804 /nfs/dbraw/zinc/62/98/04/597629804.db2.gz RYTNIWXHKOQTMQ-AWEZNQCLSA-N 1 0 333.388 1.968 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@@H]21 ZINC000879578722 597640739 /nfs/dbraw/zinc/64/07/39/597640739.db2.gz VOWWQPQUIQTWBN-XOKHGSTOSA-N 1 0 344.415 1.726 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CCN1c1cc[nH+]cc1 ZINC000881635796 597667331 /nfs/dbraw/zinc/66/73/31/597667331.db2.gz NYEIDQFDSAVLAJ-LBPRGKRZSA-N 1 0 327.344 1.736 20 5 EDBDRO COC[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000883315918 597711586 /nfs/dbraw/zinc/71/15/86/597711586.db2.gz DDZFDUCDLOKEBN-BETUJISGSA-N 1 0 338.360 1.661 20 5 EDBDRO C[NH+]1CCN(c2ncccc2CNc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881853960 597755976 /nfs/dbraw/zinc/75/59/76/597755976.db2.gz PRJREQWXVDXVDW-UHFFFAOYSA-N 1 0 346.366 1.888 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1 ZINC000879129825 597828240 /nfs/dbraw/zinc/82/82/40/597828240.db2.gz MTJJPOZSUKLNGO-KZNAEPCWSA-N 1 0 344.367 1.752 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 ZINC000879129460 597828505 /nfs/dbraw/zinc/82/85/05/597828505.db2.gz GWLGBQQCCVRYBX-KZNAEPCWSA-N 1 0 344.367 1.752 20 5 EDBDRO C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)C[NH+](C)C ZINC000880089160 597838196 /nfs/dbraw/zinc/83/81/96/597838196.db2.gz VZTCBWUBSZLHJG-NSHDSACASA-N 1 0 337.376 1.684 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880584179 597970880 /nfs/dbraw/zinc/97/08/80/597970880.db2.gz GEWDPMFWIXPHAM-HNNXBMFYSA-N 1 0 336.388 1.967 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NC2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC000193249306 695667854 /nfs/dbraw/zinc/66/78/54/695667854.db2.gz BWYGZCOXDRPPFE-UHFFFAOYSA-N 1 0 327.406 1.760 20 5 EDBDRO CC(C)[NH+]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000915284320 695781106 /nfs/dbraw/zinc/78/11/06/695781106.db2.gz FHOORRXRCJHUHZ-UHFFFAOYSA-N 1 0 331.376 1.497 20 5 EDBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000915625515 695959096 /nfs/dbraw/zinc/95/90/96/695959096.db2.gz XQODKDAQDKOYMM-MRXNPFEDSA-N 1 0 333.388 1.968 20 5 EDBDRO COC(=O)[C@H]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000917158773 696957582 /nfs/dbraw/zinc/95/75/82/696957582.db2.gz UIAYEKSTWYYXMH-VIFPVBQESA-N 1 0 341.751 1.682 20 5 EDBDRO C[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000917661354 697057228 /nfs/dbraw/zinc/05/72/28/697057228.db2.gz WZQHULSTOUXQAL-GFCCVEGCSA-N 1 0 327.406 1.748 20 5 EDBDRO O=C(NCC1C[NH+](Cc2cccc3cccnc32)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031661573 697438953 /nfs/dbraw/zinc/43/89/53/697438953.db2.gz CHRPMNSXQSGVNX-HZPDHXFCSA-N 1 0 340.383 1.448 20 5 EDBDRO CC1([NH2+]Cc2ccc(F)cc2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000940107997 700219945 /nfs/dbraw/zinc/21/99/45/700219945.db2.gz VBVHHTZYPOBLEY-HUUCEWRRSA-N 1 0 335.379 1.962 20 5 EDBDRO CCc1ccccc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996429326 702783507 /nfs/dbraw/zinc/78/35/07/702783507.db2.gz POIZSQSHSQLPGL-IAGOWNOFSA-N 1 0 331.416 1.995 20 5 EDBDRO C[N@@H+]1CC[C@H]1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000921838302 708148985 /nfs/dbraw/zinc/14/89/85/708148985.db2.gz UADYAUIZIVLSEP-LBPRGKRZSA-N 1 0 326.784 1.794 20 5 EDBDRO [NH3+]C1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000051693445 214101235 /nfs/dbraw/zinc/10/12/35/214101235.db2.gz JNZPLVNWWHECTD-UHFFFAOYSA-N 1 0 333.797 1.796 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000175058156 231377420 /nfs/dbraw/zinc/37/74/20/231377420.db2.gz HMPPNJZCUFMGIR-UHFFFAOYSA-N 1 0 341.433 1.926 20 5 EDBDRO C[NH2+]CCCC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000178348507 529962095 /nfs/dbraw/zinc/96/20/95/529962095.db2.gz NYGNCCHJAOQJPK-UHFFFAOYSA-N 1 0 325.365 1.270 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066105962 215012933 /nfs/dbraw/zinc/01/29/33/215012933.db2.gz RQCVXOYJUUPWTH-ZDUSSCGKSA-N 1 0 339.417 1.762 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000066223711 215023709 /nfs/dbraw/zinc/02/37/09/215023709.db2.gz GSPGQACWCHXFEU-CYBMUJFWSA-N 1 0 346.387 1.538 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000066537184 215052342 /nfs/dbraw/zinc/05/23/42/215052342.db2.gz RCTMNDWTDXZSGS-SJORKVTESA-N 1 0 349.431 1.895 20 5 EDBDRO COCC[N@H+](C)C[C@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000562478457 306299717 /nfs/dbraw/zinc/29/97/17/306299717.db2.gz HNJWCJDCYWGNJZ-DZGCQCFKSA-N 1 0 325.409 1.493 20 5 EDBDRO C[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000184233003 235342977 /nfs/dbraw/zinc/34/29/77/235342977.db2.gz WRKXRIAFMVDKGC-CYBMUJFWSA-N 1 0 341.433 1.746 20 5 EDBDRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184207316 235332832 /nfs/dbraw/zinc/33/28/32/235332832.db2.gz XCVSQKWLSARPNC-ZDUSSCGKSA-N 1 0 341.433 1.889 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000077851381 138255686 /nfs/dbraw/zinc/25/56/86/138255686.db2.gz SSFPSDVYGJHYSD-GFCCVEGCSA-N 1 0 348.403 1.832 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000077850456 138255706 /nfs/dbraw/zinc/25/57/06/138255706.db2.gz PNGDCAWYNNBIEC-UHFFFAOYSA-N 1 0 348.403 1.834 20 5 EDBDRO O=C(c1cnccn1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000076901671 138250181 /nfs/dbraw/zinc/25/01/81/138250181.db2.gz FMTQMRGTQFNONN-UHFFFAOYSA-N 1 0 341.371 1.779 20 5 EDBDRO CCCc1n[nH]c(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000081731721 138267474 /nfs/dbraw/zinc/26/74/74/138267474.db2.gz FJBHEAPWUPEUJQ-JTQLQIEISA-N 1 0 325.413 1.977 20 5 EDBDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090565271 138279560 /nfs/dbraw/zinc/27/95/60/138279560.db2.gz YROAKKJKRBIWQN-AWEZNQCLSA-N 1 0 331.376 1.499 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124446362 138326594 /nfs/dbraw/zinc/32/65/94/138326594.db2.gz DGFGYSPSYWZPAR-MRXNPFEDSA-N 1 0 337.376 1.779 20 5 EDBDRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)CN1 ZINC000125174920 138332605 /nfs/dbraw/zinc/33/26/05/138332605.db2.gz LGUYAGXWOCKJOM-CZUORRHYSA-N 1 0 333.388 1.964 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@]1(CO)CCc2ccccc21 ZINC000132375217 138375922 /nfs/dbraw/zinc/37/59/22/138375922.db2.gz JWYYNPKAWYITDV-KRWDZBQOSA-N 1 0 329.356 1.180 20 5 EDBDRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000171628748 138658942 /nfs/dbraw/zinc/65/89/42/138658942.db2.gz VDKFBXQCUPKTCY-VIFPVBQESA-N 1 0 347.824 1.996 20 5 EDBDRO NC(=O)c1ccc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c([N+](=O)[O-])c1 ZINC000363414786 283379672 /nfs/dbraw/zinc/37/96/72/283379672.db2.gz RKWUZUHZALAIOQ-IHRRRGAJSA-N 1 0 330.388 1.614 20 5 EDBDRO C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181677207 138770355 /nfs/dbraw/zinc/77/03/55/138770355.db2.gz NIMPOFPBISHRDK-ZIAGYGMSSA-N 1 0 349.435 1.951 20 5 EDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000564982826 306371999 /nfs/dbraw/zinc/37/19/99/306371999.db2.gz ZQIQBJOOOQYNEF-CQSZACIVSA-N 1 0 346.431 1.927 20 5 EDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000131041337 223198517 /nfs/dbraw/zinc/19/85/17/223198517.db2.gz YBYPKNCNBVWVDL-HNNXBMFYSA-N 1 0 329.360 1.734 20 5 EDBDRO [NH3+][C@H]1CCC[C@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000238036946 283630537 /nfs/dbraw/zinc/63/05/37/283630537.db2.gz NNJPEMFUWCCOFD-KBPBESRZSA-N 1 0 332.404 1.761 20 5 EDBDRO COCCNC(=O)C1([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000414181986 304104888 /nfs/dbraw/zinc/10/48/88/304104888.db2.gz LNRJKKJCCTVUML-OAHLLOKOSA-N 1 0 333.388 1.857 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCC[C@@H]2CCOC2)cc1 ZINC000565888224 306393855 /nfs/dbraw/zinc/39/38/55/306393855.db2.gz IRDPGFVCVAIUNE-CYBMUJFWSA-N 1 0 342.417 1.775 20 5 EDBDRO Cc1c(NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000414705067 304130387 /nfs/dbraw/zinc/13/03/87/304130387.db2.gz NHBICGBCHUVHMC-ZDUSSCGKSA-N 1 0 333.392 1.415 20 5 EDBDRO Cc1c(C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000110650290 220053405 /nfs/dbraw/zinc/05/34/05/220053405.db2.gz RGGFUXGNWDWOMD-NSHDSACASA-N 1 0 336.348 1.801 20 5 EDBDRO COc1ccc(CSCC(=O)NCCCC[NH3+])cc1[N+](=O)[O-] ZINC000237248362 139045675 /nfs/dbraw/zinc/04/56/75/139045675.db2.gz YBGCRMGSFVPQMV-UHFFFAOYSA-N 1 0 327.406 1.692 20 5 EDBDRO CS(=O)(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000237368309 139049375 /nfs/dbraw/zinc/04/93/75/139049375.db2.gz HUDFSULHNDWCRC-UHFFFAOYSA-N 1 0 347.824 1.762 20 5 EDBDRO [NH3+]C1(CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCCCC1 ZINC000237782837 139060284 /nfs/dbraw/zinc/06/02/84/139060284.db2.gz ANVBYPUWGVVWRF-UHFFFAOYSA-N 1 0 344.375 1.567 20 5 EDBDRO [NH3+]C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000237813937 139061161 /nfs/dbraw/zinc/06/11/61/139061161.db2.gz OYZDENLEJLBQDJ-OAHLLOKOSA-N 1 0 341.433 1.922 20 5 EDBDRO O=C(NCc1ccccc1[N+](=O)[O-])c1cn(C2CC[NH2+]CC2)nn1 ZINC000238034276 139067132 /nfs/dbraw/zinc/06/71/32/139067132.db2.gz BVMORBOOZZHHTR-UHFFFAOYSA-N 1 0 330.348 1.041 20 5 EDBDRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000246738905 139119640 /nfs/dbraw/zinc/11/96/40/139119640.db2.gz NVJWNKXEFREBAE-WBVHZDCISA-N 1 0 346.387 1.998 20 5 EDBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000246907859 139126445 /nfs/dbraw/zinc/12/64/45/139126445.db2.gz XXFFSRWUHMXJTM-XEZPLFJOSA-N 1 0 333.388 1.935 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000415358533 304203333 /nfs/dbraw/zinc/20/33/33/304203333.db2.gz XOAQQFFYRVFGLT-NEPJUHHUSA-N 1 0 334.376 1.346 20 5 EDBDRO Cc1nn(CCC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000247470430 139149425 /nfs/dbraw/zinc/14/94/25/139149425.db2.gz RUCVRAFSODLENL-BXUZGUMPSA-N 1 0 337.424 1.597 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000568857075 306490380 /nfs/dbraw/zinc/49/03/80/306490380.db2.gz QSZXDSFIVNMLFS-QGZVFWFLSA-N 1 0 347.371 1.582 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000094135669 218266580 /nfs/dbraw/zinc/26/65/80/218266580.db2.gz MHEFEVCJVCPXEJ-CQSZACIVSA-N 1 0 348.447 1.886 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000251889081 139203193 /nfs/dbraw/zinc/20/31/93/139203193.db2.gz WTHAYUAKAMZFKV-ILXRZTDVSA-N 1 0 334.380 1.122 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)c1C ZINC000261640829 139213560 /nfs/dbraw/zinc/21/35/60/139213560.db2.gz DMMPFCKSWNVITL-AWEZNQCLSA-N 1 0 327.406 1.571 20 5 EDBDRO C[C@]1(C[NH3+])CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000261721311 139220338 /nfs/dbraw/zinc/22/03/38/139220338.db2.gz CJFABDQGKZHSER-MRXNPFEDSA-N 1 0 329.360 1.591 20 5 EDBDRO Nc1c(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000261828932 139229638 /nfs/dbraw/zinc/22/96/38/139229638.db2.gz SSLAPWBJYPKBED-HIFRSBDPSA-N 1 0 340.383 1.992 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000261863887 139232372 /nfs/dbraw/zinc/23/23/72/139232372.db2.gz GJDDAEBYUXRSPJ-NEPJUHHUSA-N 1 0 327.406 1.570 20 5 EDBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nnc4n3CCNC4)CC2)cc1 ZINC000261847540 139231081 /nfs/dbraw/zinc/23/10/81/139231081.db2.gz WXWNIUZNTFSGBM-UHFFFAOYSA-N 1 0 342.403 1.669 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000261991392 139242320 /nfs/dbraw/zinc/24/23/20/139242320.db2.gz SZUDAXPXJNQNSO-DGCLKSJQSA-N 1 0 327.406 1.794 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000262014012 139243996 /nfs/dbraw/zinc/24/39/96/139243996.db2.gz WULVLJZPFHFFOP-VXGBXAGGSA-N 1 0 327.406 1.651 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000262137500 139254080 /nfs/dbraw/zinc/25/40/80/139254080.db2.gz MAWWTBIAJUALPF-LBPRGKRZSA-N 1 0 331.394 1.255 20 5 EDBDRO [NH3+]CC[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000416015912 251047614 /nfs/dbraw/zinc/04/76/14/251047614.db2.gz WLIUBOZPJZVYFK-LLVKDONJSA-N 1 0 334.298 1.716 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000262381208 139274911 /nfs/dbraw/zinc/27/49/11/139274911.db2.gz YTNOPMLPJGIYHH-GFCCVEGCSA-N 1 0 331.394 1.255 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000415579433 304231103 /nfs/dbraw/zinc/23/11/03/304231103.db2.gz CRWBFDUPLSXQFV-TUAOUCFPSA-N 1 0 332.360 1.037 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)c1C ZINC000262750120 139301001 /nfs/dbraw/zinc/30/10/01/139301001.db2.gz MZSPXXDYSADQOQ-LBPRGKRZSA-N 1 0 327.406 1.490 20 5 EDBDRO COC(=O)c1cc(NC(=O)N[C@@H]2CCC[NH2+]C2)c(C)c([N+](=O)[O-])c1 ZINC000415603804 304237090 /nfs/dbraw/zinc/23/70/90/304237090.db2.gz UXHBZDFFEPGDCW-LLVKDONJSA-N 1 0 336.348 1.563 20 5 EDBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000569723496 306517866 /nfs/dbraw/zinc/51/78/66/306517866.db2.gz KAELTPGREQGXJH-CZUORRHYSA-N 1 0 333.388 1.953 20 5 EDBDRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415745075 304263970 /nfs/dbraw/zinc/26/39/70/304263970.db2.gz RJNQLPHVQQJOCW-SECBINFHSA-N 1 0 342.783 1.820 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000459801660 255003217 /nfs/dbraw/zinc/00/32/17/255003217.db2.gz LHLXTLOVEOWTJU-HRCADAONSA-N 1 0 338.408 1.025 20 5 EDBDRO COC(=O)[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000493249786 255199578 /nfs/dbraw/zinc/19/95/78/255199578.db2.gz CNAOPHIRNHOQLK-UZYOAWRESA-N 1 0 347.371 1.171 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000117341783 221054740 /nfs/dbraw/zinc/05/47/40/221054740.db2.gz KOZIPMZGBLYEPN-ZDUSSCGKSA-N 1 0 348.403 1.776 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000117923583 221100385 /nfs/dbraw/zinc/10/03/85/221100385.db2.gz RRWKWYHKQWEKOD-LBPRGKRZSA-N 1 0 341.433 1.729 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000155247261 224384594 /nfs/dbraw/zinc/38/45/94/224384594.db2.gz OPHXKXLHAGRBRP-ZJUUUORDSA-N 1 0 327.768 1.836 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCCCCCCC[NH+]1CCCC1 ZINC000264293575 139394368 /nfs/dbraw/zinc/39/43/68/139394368.db2.gz XMHSRJXRWYGNCK-UHFFFAOYSA-N 1 0 337.424 1.954 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415845196 304281137 /nfs/dbraw/zinc/28/11/37/304281137.db2.gz VKQKFLUFLNHVIW-PIGZYNQJSA-N 1 0 348.403 1.539 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000173255208 285398669 /nfs/dbraw/zinc/39/86/69/285398669.db2.gz XQRJGEAYPQWPDB-OLZOCXBDSA-N 1 0 341.433 1.946 20 5 EDBDRO C[C@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1[NH+](C)C ZINC000270651254 140140953 /nfs/dbraw/zinc/14/09/53/140140953.db2.gz MAMDRYPFIPACFT-BLLLJJGKSA-N 1 0 332.404 1.366 20 5 EDBDRO C[NH+]1CCC(O)(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000271024076 140222697 /nfs/dbraw/zinc/22/26/97/140222697.db2.gz VQEIBMVDMLUQDF-UHFFFAOYSA-N 1 0 344.371 1.330 20 5 EDBDRO CC[NH+](CC)CC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000331264884 141001374 /nfs/dbraw/zinc/00/13/74/141001374.db2.gz PAGFONJVVZBGRL-UHFFFAOYSA-N 1 0 336.392 1.889 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000331367769 141012322 /nfs/dbraw/zinc/01/23/22/141012322.db2.gz BOMKPKVUSWTBFU-IAQYHMDHSA-N 1 0 339.417 1.497 20 5 EDBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000331961803 141103603 /nfs/dbraw/zinc/10/36/03/141103603.db2.gz BCMBFRAMKARZMC-OWCLPIDISA-N 1 0 349.431 1.893 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000416380860 304313311 /nfs/dbraw/zinc/31/33/11/304313311.db2.gz CKDAPVPXCSUIAO-LBPRGKRZSA-N 1 0 327.406 1.536 20 5 EDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000339739510 142140124 /nfs/dbraw/zinc/14/01/24/142140124.db2.gz RHLDBQBKCBFARR-AWEZNQCLSA-N 1 0 333.388 1.779 20 5 EDBDRO CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C1CC[NH+](CCn2cccn2)CC1 ZINC000344964972 143032051 /nfs/dbraw/zinc/03/20/51/143032051.db2.gz LWWOLGMEEAMYSV-UHFFFAOYSA-N 1 0 346.391 1.356 20 5 EDBDRO CC[N@@H+]1CC[C@@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000347071797 143278929 /nfs/dbraw/zinc/27/89/29/143278929.db2.gz AHBRNUXUCOEMIO-CYBMUJFWSA-N 1 0 327.406 1.151 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H]([N@H+](C)CCO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000347176260 143291362 /nfs/dbraw/zinc/29/13/62/143291362.db2.gz SAFVCQNBCUBXQD-YPMHNXCESA-N 1 0 337.376 1.131 20 5 EDBDRO CC[NH+](CC)Cc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000347305213 143305960 /nfs/dbraw/zinc/30/59/60/143305960.db2.gz PZDGZEKNMRDDQE-UHFFFAOYSA-N 1 0 332.364 1.667 20 5 EDBDRO CC(C)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1nnc2ccccn21 ZINC000347691464 143350265 /nfs/dbraw/zinc/35/02/65/143350265.db2.gz ZQMVOVBHUNQORB-CQSZACIVSA-N 1 0 329.364 1.821 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000347804972 143365324 /nfs/dbraw/zinc/36/53/24/143365324.db2.gz JDUJEEYQJOLIHZ-UHFFFAOYSA-N 1 0 347.318 1.240 20 5 EDBDRO C[N@@H+]1CC[C@H](CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000416497349 304325579 /nfs/dbraw/zinc/32/55/79/304325579.db2.gz SQYBRTUXOFMCGT-CYBMUJFWSA-N 1 0 327.406 1.008 20 5 EDBDRO Cn1c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000349052091 143476090 /nfs/dbraw/zinc/47/60/90/143476090.db2.gz LAIPMLCUEHSSGJ-ZIAGYGMSSA-N 1 0 346.362 1.948 20 5 EDBDRO Cc1c(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000350655372 143547556 /nfs/dbraw/zinc/54/75/56/143547556.db2.gz FBRLPAZPVTVSGZ-UHFFFAOYSA-N 1 0 335.404 1.868 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000572630667 306596038 /nfs/dbraw/zinc/59/60/38/306596038.db2.gz LCEFFLUZKGHQRL-UONOGXRCSA-N 1 0 332.335 1.639 20 5 EDBDRO COc1cc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000352873414 149198135 /nfs/dbraw/zinc/19/81/35/149198135.db2.gz GPHRWNHUCOKPRS-HIFRSBDPSA-N 1 0 335.404 1.898 20 5 EDBDRO CC(C)(C)OC[C@H](O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369974940 155261821 /nfs/dbraw/zinc/26/18/21/155261821.db2.gz QQBWIFMCIZRNSN-GXTWGEPZSA-N 1 0 326.397 1.604 20 5 EDBDRO COC(=O)COc1ccc(C[N@H+](C[C@H](C)O)C(C)C)cc1[N+](=O)[O-] ZINC000355762845 150390848 /nfs/dbraw/zinc/39/08/48/150390848.db2.gz UBXOGLQCOPTYKS-LBPRGKRZSA-N 1 0 340.376 1.738 20 5 EDBDRO CS[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH+](C)C ZINC000357913585 151193615 /nfs/dbraw/zinc/19/36/15/151193615.db2.gz ONKYXKNXWBFBPK-KGLIPLIRSA-N 1 0 341.408 1.780 20 5 EDBDRO C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000417075557 304369941 /nfs/dbraw/zinc/36/99/41/304369941.db2.gz VFSIUPYAABOMGC-WDEREUQCSA-N 1 0 340.355 1.653 20 5 EDBDRO C[N@@H+]1CC[C@@](O)(CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000358310433 151332251 /nfs/dbraw/zinc/33/22/51/151332251.db2.gz QXANCQVIXMESKC-LLVKDONJSA-N 1 0 331.170 1.231 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000370091307 155320612 /nfs/dbraw/zinc/32/06/12/155320612.db2.gz BDHYCFYEUVKYPG-UHFFFAOYSA-N 1 0 335.404 1.822 20 5 EDBDRO C[C@H](NC(=O)NCCCN1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000417141624 304377021 /nfs/dbraw/zinc/37/70/21/304377021.db2.gz RJMNNWIEPPGMMS-ZDUSSCGKSA-N 1 0 335.408 1.250 20 5 EDBDRO CNc1c(C(=O)N2CC[NH+](C3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000360950739 152261444 /nfs/dbraw/zinc/26/14/44/152261444.db2.gz GSNIJZCCWYRCGL-UHFFFAOYSA-N 1 0 348.403 1.573 20 5 EDBDRO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000361377839 152376436 /nfs/dbraw/zinc/37/64/36/152376436.db2.gz KUQJTZNGZSPGRM-HUUCEWRRSA-N 1 0 349.435 1.965 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000370152932 155351892 /nfs/dbraw/zinc/35/18/92/155351892.db2.gz WNJCHHXTFIPLFP-UKPHBRMFSA-N 1 0 335.404 1.361 20 5 EDBDRO COc1ccc(CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000417177432 304380546 /nfs/dbraw/zinc/38/05/46/304380546.db2.gz CWBFQWZHGBIOFV-BFHYXJOUSA-N 1 0 348.403 1.791 20 5 EDBDRO Cc1ccnc(C2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000363800579 153059932 /nfs/dbraw/zinc/05/99/32/153059932.db2.gz NOBHANYKCVMCKJ-OAHLLOKOSA-N 1 0 346.391 1.130 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1(C(F)(F)F)CC[NH+](C)CC1 ZINC000364272988 153193598 /nfs/dbraw/zinc/19/35/98/153193598.db2.gz VBNITJSBZZKWLR-UHFFFAOYSA-N 1 0 349.313 1.243 20 5 EDBDRO [NH2+]=C(NO)[C@H]1CCCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000364406892 153229071 /nfs/dbraw/zinc/22/90/71/153229071.db2.gz CEFWDFXXGNNHTA-DGCLKSJQSA-N 1 0 338.364 1.145 20 5 EDBDRO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000364959778 153383755 /nfs/dbraw/zinc/38/37/55/153383755.db2.gz YDGBSRFJPJEJHJ-VVLHAWIVSA-N 1 0 331.416 1.850 20 5 EDBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCc2cccnc21 ZINC000365003488 153395637 /nfs/dbraw/zinc/39/56/37/153395637.db2.gz QUENTSZQTWXJEJ-HZPDHXFCSA-N 1 0 345.403 1.947 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000367476881 154140912 /nfs/dbraw/zinc/14/09/12/154140912.db2.gz YUXKIFGVXIABHH-OAHLLOKOSA-N 1 0 339.417 1.667 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c1C ZINC000367774800 154263830 /nfs/dbraw/zinc/26/38/30/154263830.db2.gz ABEHPNHUSUEBDS-QWRGUYRKSA-N 1 0 331.369 1.190 20 5 EDBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368807880 154732176 /nfs/dbraw/zinc/73/21/76/154732176.db2.gz UNNUTPMHBGPAPJ-SHHSBJBSSA-N 1 0 341.371 1.875 20 5 EDBDRO O=C(N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000369174270 154904292 /nfs/dbraw/zinc/90/42/92/154904292.db2.gz NDYZTKXTRVNQOW-IIYDPXPESA-N 1 0 345.403 1.392 20 5 EDBDRO Cc1cc(N2CC[N@@H+](C[C@H]3CN(C)CCO3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000374153084 157167756 /nfs/dbraw/zinc/16/77/56/157167756.db2.gz FBNUACZZZQVPKS-NVXWUHKLSA-N 1 0 348.447 1.744 20 5 EDBDRO O=C(CC[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000375352128 157553924 /nfs/dbraw/zinc/55/39/24/157553924.db2.gz GTRXZPKMFWJJQH-CXAGYDPISA-N 1 0 346.387 1.570 20 5 EDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378144301 158091293 /nfs/dbraw/zinc/09/12/93/158091293.db2.gz TWWDYLJUUNHRMD-HNNXBMFYSA-N 1 0 347.419 1.230 20 5 EDBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c2nonc21 ZINC000378293026 158131341 /nfs/dbraw/zinc/13/13/41/158131341.db2.gz MJSYXLMHPXPCBB-LLVKDONJSA-N 1 0 333.348 1.796 20 5 EDBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CC[NH2+]C1 ZINC000418000407 304444759 /nfs/dbraw/zinc/44/47/59/304444759.db2.gz XDCZAIIZHINMBY-JTQLQIEISA-N 1 0 326.784 1.699 20 5 EDBDRO O=C(C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1)N1CCCC1 ZINC000090511240 287330636 /nfs/dbraw/zinc/33/06/36/287330636.db2.gz RVMJLNYYFRVQCE-UHFFFAOYSA-N 1 0 348.403 1.091 20 5 EDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCNS(=O)(=O)c2cccs2)c1 ZINC000122266172 222049187 /nfs/dbraw/zinc/04/91/87/222049187.db2.gz QKFCJTVWTQEDKU-UHFFFAOYSA-N 1 0 341.414 1.724 20 5 EDBDRO Cc1sc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000122720295 222144968 /nfs/dbraw/zinc/14/49/68/222144968.db2.gz WFGNJRIUNYWIPH-UHFFFAOYSA-N 1 0 335.451 1.831 20 5 EDBDRO CCOc1cc(C(=O)NC[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC000194724596 273005706 /nfs/dbraw/zinc/00/57/06/273005706.db2.gz KNROQRDHMQZWOY-LLVKDONJSA-N 1 0 337.376 1.826 20 5 EDBDRO COc1cc(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000262757273 273017899 /nfs/dbraw/zinc/01/78/99/273017899.db2.gz DZLTWHRAVXBAAT-UWVGGRQHSA-N 1 0 329.378 1.022 20 5 EDBDRO C[NH+](C)CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000086964481 267425266 /nfs/dbraw/zinc/42/52/66/267425266.db2.gz NWDWOFJOTYLSSP-UHFFFAOYSA-N 1 0 344.209 1.968 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000273058448 273026209 /nfs/dbraw/zinc/02/62/09/273026209.db2.gz CSAFRIWGSRTYPP-AWEZNQCLSA-N 1 0 331.376 1.507 20 5 EDBDRO Cc1c(F)cc(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000274648568 268176323 /nfs/dbraw/zinc/17/63/23/268176323.db2.gz GRRJDYDGNKNAFS-LLVKDONJSA-N 1 0 345.396 1.615 20 5 EDBDRO C[NH+](C)C1(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000275433402 268341783 /nfs/dbraw/zinc/34/17/83/268341783.db2.gz FQOIXDQQAWAABD-UHFFFAOYSA-N 1 0 341.433 1.541 20 5 EDBDRO COCCO[C@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000275500136 268352058 /nfs/dbraw/zinc/35/20/58/268352058.db2.gz GVGKZXRKBXIWAY-HNNXBMFYSA-N 1 0 338.360 1.699 20 5 EDBDRO COc1ccc(OCC[N@H+](C)CC2(O)CCOCC2)c([N+](=O)[O-])c1 ZINC000275508162 268353062 /nfs/dbraw/zinc/35/30/62/268353062.db2.gz HTDDRAWVZUDNTK-UHFFFAOYSA-N 1 0 340.376 1.456 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1 ZINC000275630033 273115151 /nfs/dbraw/zinc/11/51/51/273115151.db2.gz SCULXGPOEWQRAD-LBPRGKRZSA-N 1 0 343.387 1.551 20 5 EDBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1O ZINC000275680297 273118824 /nfs/dbraw/zinc/11/88/24/273118824.db2.gz YQZABTQSAZHALE-QMTHXVAHSA-N 1 0 325.340 1.765 20 5 EDBDRO O=c1[nH]ccc2c1C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000276936627 273170299 /nfs/dbraw/zinc/17/02/99/273170299.db2.gz NAHLWVIRRCYJSM-ZDUSSCGKSA-N 1 0 345.355 1.493 20 5 EDBDRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000280564089 273371629 /nfs/dbraw/zinc/37/16/29/273371629.db2.gz KROPWLNTGQXEQW-CQSZACIVSA-N 1 0 341.433 1.887 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1C ZINC000413136153 274272327 /nfs/dbraw/zinc/27/23/27/274272327.db2.gz SPVYYZCQFMFLMR-NXEZZACHSA-N 1 0 348.325 1.900 20 5 EDBDRO COc1cc(CN2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)c([N+](=O)[O-])cc1F ZINC000284904860 274380984 /nfs/dbraw/zinc/38/09/84/274380984.db2.gz SCQWLQRPHGWGMA-LSDHHAIUSA-N 1 0 339.367 1.647 20 5 EDBDRO C[C@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@H]1C[NH3+] ZINC000424025073 274559430 /nfs/dbraw/zinc/55/94/30/274559430.db2.gz WMUYNMXBPSHEDB-QWHCGFSZSA-N 1 0 343.387 1.837 20 5 EDBDRO C[NH+](C)CCOc1ccc(CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000285663664 274610310 /nfs/dbraw/zinc/61/03/10/274610310.db2.gz PXGLEYKTOOVWKP-UHFFFAOYSA-N 1 0 347.375 1.231 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCN([C@H]3CC[NH2+]C3)CC2)c2ccncc21 ZINC000261715059 275036381 /nfs/dbraw/zinc/03/63/81/275036381.db2.gz QBIUMYATRMXZKW-ZDUSSCGKSA-N 1 0 327.388 1.627 20 5 EDBDRO C[NH+](C)CCOC1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000356209553 276762517 /nfs/dbraw/zinc/76/25/17/276762517.db2.gz DXPLNOJCORLXAE-UHFFFAOYSA-N 1 0 336.392 1.241 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000286328057 287983078 /nfs/dbraw/zinc/98/30/78/287983078.db2.gz YTTKPSFZIANEHB-JSGCOSHPSA-N 1 0 348.403 1.443 20 5 EDBDRO C[C@@H](CC[NH3+])NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420420807 278231108 /nfs/dbraw/zinc/23/11/08/278231108.db2.gz KFBHMIHTRRPQJP-ZETCQYMHSA-N 1 0 341.311 1.629 20 5 EDBDRO C[C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C[NH3+])C1 ZINC000420342387 278366830 /nfs/dbraw/zinc/36/68/30/278366830.db2.gz QSWZYRVUIFKXAL-WFASDCNBSA-N 1 0 332.404 1.543 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C[C@H](C)[NH2+]1 ZINC000422819814 288046242 /nfs/dbraw/zinc/04/62/42/288046242.db2.gz IXWWNQHYCWDVBV-BETUJISGSA-N 1 0 348.403 1.254 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000286619912 288047770 /nfs/dbraw/zinc/04/77/70/288047770.db2.gz CHZDDANTIWQYNY-LLVKDONJSA-N 1 0 338.364 1.217 20 5 EDBDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286993739 288132658 /nfs/dbraw/zinc/13/26/58/288132658.db2.gz PPSMXQCKFOIPJC-HUUCEWRRSA-N 1 0 337.376 1.839 20 5 EDBDRO Cc1cccc(N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000262148163 281226658 /nfs/dbraw/zinc/22/66/58/281226658.db2.gz FRNJMDGKVRXUFJ-HUUCEWRRSA-N 1 0 346.431 1.988 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000055265146 281262134 /nfs/dbraw/zinc/26/21/34/281262134.db2.gz NBINJRXAOUOYSU-LBPRGKRZSA-N 1 0 341.433 1.913 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000288346234 288465076 /nfs/dbraw/zinc/46/50/76/288465076.db2.gz KAGHHIBPDFHWHO-JSGCOSHPSA-N 1 0 335.408 1.575 20 5 EDBDRO C[NH+](C)CC1(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCCC1 ZINC000352615486 289086568 /nfs/dbraw/zinc/08/65/68/289086568.db2.gz DGYLHFWWRYVRBM-UHFFFAOYSA-N 1 0 337.424 1.765 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1F ZINC000292553174 289379559 /nfs/dbraw/zinc/37/95/59/289379559.db2.gz HSGTXPGIRAXVAD-VIFPVBQESA-N 1 0 333.385 1.518 20 5 EDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000332559228 295338055 /nfs/dbraw/zinc/33/80/55/295338055.db2.gz UBYSSBVQVWEPAC-STQMWFEESA-N 1 0 348.407 1.091 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)NCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000419266974 304583524 /nfs/dbraw/zinc/58/35/24/304583524.db2.gz HXYCKEUHYNFIKW-LBPRGKRZSA-N 1 0 348.403 1.339 20 5 EDBDRO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000420291675 304743631 /nfs/dbraw/zinc/74/36/31/304743631.db2.gz VYFFGEPPOBAKEA-NXEZZACHSA-N 1 0 328.394 1.172 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1OC ZINC000456169530 447314151 /nfs/dbraw/zinc/31/41/51/447314151.db2.gz PKXAZDSMIUAZCV-SMDDNHRTSA-N 1 0 349.387 1.778 20 5 EDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420373698 304752972 /nfs/dbraw/zinc/75/29/72/304752972.db2.gz NAZPFSNRBQXZHF-DYVFJYSZSA-N 1 0 332.404 1.997 20 5 EDBDRO C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000420424944 304756967 /nfs/dbraw/zinc/75/69/67/304756967.db2.gz IKPBIFDXGVZTLE-KOLCDFICSA-N 1 0 336.373 1.253 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000420395595 304755152 /nfs/dbraw/zinc/75/51/52/304755152.db2.gz LLENMOZEOPVGHA-RYUDHWBXSA-N 1 0 336.392 1.614 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420443348 304758949 /nfs/dbraw/zinc/75/89/49/304758949.db2.gz ZADBDPUYSANPGL-WCQYABFASA-N 1 0 327.406 1.197 20 5 EDBDRO [NH3+][C@H]1CCC[C@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000420472870 304762749 /nfs/dbraw/zinc/76/27/49/304762749.db2.gz SYVGNVPRBQYZTH-AAEUAGOBSA-N 1 0 327.406 1.532 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000058560765 302042806 /nfs/dbraw/zinc/04/28/06/302042806.db2.gz UQTZYMAVNGCGIT-UHFFFAOYSA-N 1 0 327.406 1.618 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000262496159 302046053 /nfs/dbraw/zinc/04/60/53/302046053.db2.gz LMEXJJHFPFCJSE-RYUDHWBXSA-N 1 0 325.390 1.133 20 5 EDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000162219884 302930890 /nfs/dbraw/zinc/93/08/90/302930890.db2.gz HZNAGVRPZQOKNV-CHWSQXEVSA-N 1 0 337.424 1.816 20 5 EDBDRO C[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC(=O)N1 ZINC000295027609 303164808 /nfs/dbraw/zinc/16/48/08/303164808.db2.gz NPRSTWHJOZVWCX-NSHDSACASA-N 1 0 329.360 1.316 20 5 EDBDRO CN(C)C(=O)C1([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCCC1 ZINC000295089658 303171966 /nfs/dbraw/zinc/17/19/66/303171966.db2.gz FVQRVAQFJWXYGI-UHFFFAOYSA-N 1 0 348.403 1.574 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296483117 303319900 /nfs/dbraw/zinc/31/99/00/303319900.db2.gz PFMDVFKOESBTOW-ZDUSSCGKSA-N 1 0 338.408 1.923 20 5 EDBDRO COC(=O)Cc1ccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000297116034 303360974 /nfs/dbraw/zinc/36/09/74/303360974.db2.gz LZNSWFJNWQXRJM-KGLIPLIRSA-N 1 0 333.388 1.983 20 5 EDBDRO CN(CCCN1CC[NH+](C)CC1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000297302350 303382892 /nfs/dbraw/zinc/38/28/92/303382892.db2.gz YQJRULLWHOQGJV-UHFFFAOYSA-N 1 0 332.408 1.545 20 5 EDBDRO Cn1ccnc1[C@@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000299663349 303645719 /nfs/dbraw/zinc/64/57/19/303645719.db2.gz WNNWAMUWSSVCPT-ZDUSSCGKSA-N 1 0 344.293 1.868 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000360270290 303660923 /nfs/dbraw/zinc/66/09/23/303660923.db2.gz JDILQLDBKOICBJ-HNNXBMFYSA-N 1 0 349.435 1.906 20 5 EDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3nnnn3CC1)CCC2 ZINC000421879672 304817128 /nfs/dbraw/zinc/81/71/28/304817128.db2.gz PKDGWOBKPCTBOJ-DOMZBBRYSA-N 1 0 328.376 1.953 20 5 EDBDRO C[C@H]1CN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000423943723 304920312 /nfs/dbraw/zinc/92/03/12/304920312.db2.gz GOIPFOGWMWJXIC-IINYFYTJSA-N 1 0 329.360 1.415 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)n1 ZINC000424001308 304924159 /nfs/dbraw/zinc/92/41/59/304924159.db2.gz PCODYPVNYHIWOG-ZDUSSCGKSA-N 1 0 329.360 1.598 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428027528 305004230 /nfs/dbraw/zinc/00/42/30/305004230.db2.gz AIGYKNIMCYLXDM-ZFWWWQNUSA-N 1 0 332.404 1.916 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000428029893 305004303 /nfs/dbraw/zinc/00/43/03/305004303.db2.gz FYEMLAYWZRATFJ-SGMGOOAPSA-N 1 0 348.403 1.614 20 5 EDBDRO O=C(CN1CCSC[C@@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000438648168 305187690 /nfs/dbraw/zinc/18/76/90/305187690.db2.gz GFUGQGKODAWDJY-NSHDSACASA-N 1 0 325.390 1.333 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000439883284 305203175 /nfs/dbraw/zinc/20/31/75/305203175.db2.gz SUXUGDDAOOHNOK-OAHLLOKOSA-N 1 0 338.364 1.182 20 5 EDBDRO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443784920 305241363 /nfs/dbraw/zinc/24/13/63/305241363.db2.gz CNFATQTZXDCPLM-HNNXBMFYSA-N 1 0 339.417 1.593 20 5 EDBDRO Cc1cc(C(=O)N2CCC([N@@H+](C)C[C@H](C)O)CC2)cc([N+](=O)[O-])c1 ZINC000444351010 305246625 /nfs/dbraw/zinc/24/66/25/305246625.db2.gz GLJWQESQIAODKI-ZDUSSCGKSA-N 1 0 335.404 1.820 20 5 EDBDRO CS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447561360 305282184 /nfs/dbraw/zinc/28/21/84/305282184.db2.gz HZLZDYJBRVMWNG-VXGBXAGGSA-N 1 0 330.410 1.299 20 5 EDBDRO Cc1c(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)cccc1[N+](=O)[O-] ZINC000449152173 305308125 /nfs/dbraw/zinc/30/81/25/305308125.db2.gz CVCJNUQIMZBRRT-LLVKDONJSA-N 1 0 330.348 1.499 20 5 EDBDRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449330169 305311752 /nfs/dbraw/zinc/31/17/52/305311752.db2.gz SGIJQCDYCKIIHS-YPMHNXCESA-N 1 0 325.434 1.983 20 5 EDBDRO CO[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1O ZINC000449573928 305314260 /nfs/dbraw/zinc/31/42/60/305314260.db2.gz UPSWBEDCNAFHCU-ZIAGYGMSSA-N 1 0 335.385 1.910 20 5 EDBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000449656108 305316285 /nfs/dbraw/zinc/31/62/85/305316285.db2.gz JEMRWMHCVIELJW-NSHDSACASA-N 1 0 331.344 1.800 20 5 EDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000449695636 305317233 /nfs/dbraw/zinc/31/72/33/305317233.db2.gz IYEZEGMBHDILDA-CQSZACIVSA-N 1 0 344.375 1.293 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000451409769 305344399 /nfs/dbraw/zinc/34/43/99/305344399.db2.gz BAKJDKPONAAIRU-SQWLQELKSA-N 1 0 333.388 1.819 20 5 EDBDRO CCOc1ccc(NC(=O)CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451631470 305357667 /nfs/dbraw/zinc/35/76/67/305357667.db2.gz NUOYCXORSQBHOF-BLLLJJGKSA-N 1 0 348.403 1.568 20 5 EDBDRO CC[C@H]1C[N@H+](CC)CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451733969 305365625 /nfs/dbraw/zinc/36/56/25/305365625.db2.gz VYQFIQPCDSXCDU-HNNXBMFYSA-N 1 0 346.431 1.900 20 5 EDBDRO CN(C(=O)C[NH2+]C1(CO)CCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000459687745 305523203 /nfs/dbraw/zinc/52/32/03/305523203.db2.gz BLNPRUOZCIDLRU-UHFFFAOYSA-N 1 0 339.417 1.405 20 5 EDBDRO CO[C@H]1C[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1OC ZINC000488050116 305555447 /nfs/dbraw/zinc/55/54/47/305555447.db2.gz ITAYHRJVSKDRDM-GJZGRUSLSA-N 1 0 337.376 1.577 20 5 EDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000449128975 447364252 /nfs/dbraw/zinc/36/42/52/447364252.db2.gz UAVZXZYZCIGJAV-AWEZNQCLSA-N 1 0 334.420 1.280 20 5 EDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000535835066 306017957 /nfs/dbraw/zinc/01/79/57/306017957.db2.gz GBVPPZYQVXXUMJ-GFCCVEGCSA-N 1 0 348.403 1.899 20 5 EDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000540979480 306043029 /nfs/dbraw/zinc/04/30/29/306043029.db2.gz OCWBQPIVVGMSOF-CYBMUJFWSA-N 1 0 333.392 1.894 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000544552758 306076248 /nfs/dbraw/zinc/07/62/48/306076248.db2.gz UTWBKZJECBCMCL-NSHDSACASA-N 1 0 335.360 1.785 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000556935470 306221403 /nfs/dbraw/zinc/22/14/03/306221403.db2.gz FXQKEYYOBBKGBL-RLCCDNCMSA-N 1 0 349.387 1.624 20 5 EDBDRO CN1CC[NH2+]C[C@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414969367 447378875 /nfs/dbraw/zinc/37/88/75/447378875.db2.gz FFQBSBHHTAZLKT-HNNXBMFYSA-N 1 0 347.444 1.712 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000044670126 440869871 /nfs/dbraw/zinc/86/98/71/440869871.db2.gz CBSVUSSXKIWWJL-CQSZACIVSA-N 1 0 329.360 1.182 20 5 EDBDRO C[NH+]1CCN(CCNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000450233868 447436794 /nfs/dbraw/zinc/43/67/94/447436794.db2.gz PAORISIOSGKTJT-UHFFFAOYSA-N 1 0 347.444 2.378 20 5 EDBDRO CN(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1[N+](=O)[O-] ZINC000046599379 441115166 /nfs/dbraw/zinc/11/51/66/441115166.db2.gz ABQTVVKZFGALSY-UHFFFAOYSA-N 1 0 346.431 1.770 20 5 EDBDRO Cc1cc(C(=O)N2CC[NH+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000081033261 441224273 /nfs/dbraw/zinc/22/42/73/441224273.db2.gz HTPYPFKSPGTFME-UHFFFAOYSA-N 1 0 333.388 1.840 20 5 EDBDRO C[C@@H](CC[NH+](C)C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000073094180 441292574 /nfs/dbraw/zinc/29/25/74/441292574.db2.gz QYGVWYRKXQMVHI-NSHDSACASA-N 1 0 337.376 1.365 20 5 EDBDRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000048882750 441335540 /nfs/dbraw/zinc/33/55/40/441335540.db2.gz DRYGLQFTRBMVLW-UHFFFAOYSA-N 1 0 334.376 1.442 20 5 EDBDRO Cc1cc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000074137756 441398309 /nfs/dbraw/zinc/39/83/09/441398309.db2.gz NTIDUKKYVXHFJM-CYBMUJFWSA-N 1 0 334.420 1.517 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000108339735 441447467 /nfs/dbraw/zinc/44/74/67/441447467.db2.gz RGMISYWZXMUSCH-ZDUSSCGKSA-N 1 0 343.387 1.852 20 5 EDBDRO COc1ccc(NC(=O)CC[NH+]2CCC(CO)CC2)c([N+](=O)[O-])c1 ZINC000052819996 441476852 /nfs/dbraw/zinc/47/68/52/441476852.db2.gz KZIUFOOLCBCSLJ-UHFFFAOYSA-N 1 0 337.376 1.636 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000065716975 441478283 /nfs/dbraw/zinc/47/82/83/441478283.db2.gz BWOZZQGJSXIIDG-ZDUSSCGKSA-N 1 0 347.375 1.646 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000065868072 441490875 /nfs/dbraw/zinc/49/08/75/441490875.db2.gz NXMYQPHKHJRAAP-BETUJISGSA-N 1 0 337.424 1.584 20 5 EDBDRO C[NH+](C)CCOc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000053992836 441552754 /nfs/dbraw/zinc/55/27/54/441552754.db2.gz QPOQUEIIZZMMCV-UHFFFAOYSA-N 1 0 347.375 1.048 20 5 EDBDRO CC[NH+](CC)[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)CC(C)C ZINC000112915179 441566364 /nfs/dbraw/zinc/56/63/64/441566364.db2.gz SAQLUPXJQIJTHK-LBPRGKRZSA-N 1 0 326.401 1.059 20 5 EDBDRO Cc1nn(C)c(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000089644295 441567434 /nfs/dbraw/zinc/56/74/34/441567434.db2.gz VDKXUUBSGMDQCU-LSDHHAIUSA-N 1 0 345.403 1.684 20 5 EDBDRO C[NH+](C)C1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000067151330 441611504 /nfs/dbraw/zinc/61/15/04/441611504.db2.gz FLURJATVFDCPDW-UHFFFAOYSA-N 1 0 335.360 1.532 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000090559402 441634186 /nfs/dbraw/zinc/63/41/86/441634186.db2.gz DABNKAPZCAEZPK-INIZCTEOSA-N 1 0 329.356 1.348 20 5 EDBDRO Cc1ccc(C(=O)NCCCC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000041362958 441646985 /nfs/dbraw/zinc/64/69/85/441646985.db2.gz CLGYHEYPDBRJSC-UHFFFAOYSA-N 1 0 334.420 1.661 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000173336444 441717737 /nfs/dbraw/zinc/71/77/37/441717737.db2.gz RFWSPKYGAONPDE-JQWIXIFHSA-N 1 0 343.405 1.399 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000041966760 441689276 /nfs/dbraw/zinc/68/92/76/441689276.db2.gz OEHGEILFTNADCJ-UHFFFAOYSA-N 1 0 341.433 1.771 20 5 EDBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000056168335 441694350 /nfs/dbraw/zinc/69/43/50/441694350.db2.gz WMIAXZTVWICULI-JSGCOSHPSA-N 1 0 344.375 1.138 20 5 EDBDRO CCc1nn(C)c(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000091453778 441701674 /nfs/dbraw/zinc/70/16/74/441701674.db2.gz SZUILUGEYOLWMB-LBPRGKRZSA-N 1 0 337.424 1.580 20 5 EDBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000067717802 441672462 /nfs/dbraw/zinc/67/24/62/441672462.db2.gz MPXKRFBREFZJMM-UHFFFAOYSA-N 1 0 333.797 1.621 20 5 EDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[NH+](C)CC1 ZINC000137066838 441744231 /nfs/dbraw/zinc/74/42/31/441744231.db2.gz HWUYXHTZZJVZIE-NSHDSACASA-N 1 0 340.811 1.614 20 5 EDBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000121727783 441766186 /nfs/dbraw/zinc/76/61/86/441766186.db2.gz AUPNWXBZJQWJDP-UHFFFAOYSA-N 1 0 327.406 1.451 20 5 EDBDRO O=C(C1CC1)N1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000121512913 441722355 /nfs/dbraw/zinc/72/23/55/441722355.db2.gz KOPDOSUBOBSZHF-INIZCTEOSA-N 1 0 333.388 1.573 20 5 EDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000121540958 441728735 /nfs/dbraw/zinc/72/87/35/441728735.db2.gz XOKXOJDTWADESZ-OLZOCXBDSA-N 1 0 348.403 1.171 20 5 EDBDRO C[NH+](C)CC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C ZINC000116129413 441796146 /nfs/dbraw/zinc/79/61/46/441796146.db2.gz QYPBLXFAAMNFON-CYBMUJFWSA-N 1 0 338.408 1.239 20 5 EDBDRO Cn1ccnc1C(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000138944533 441800642 /nfs/dbraw/zinc/80/06/42/441800642.db2.gz XXOPSRNPRQLCCN-UHFFFAOYSA-N 1 0 329.360 1.311 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000124440735 441925898 /nfs/dbraw/zinc/92/58/98/441925898.db2.gz PFZGHBWDNZETRR-QGZVFWFLSA-N 1 0 348.447 1.905 20 5 EDBDRO CC[N@H+](C)CCNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000119988509 441988373 /nfs/dbraw/zinc/98/83/73/441988373.db2.gz TYVRANHPOUSABJ-UHFFFAOYSA-N 1 0 347.318 1.886 20 5 EDBDRO C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[N@H+](C)Cc1ccccc1 ZINC000119993647 441989362 /nfs/dbraw/zinc/98/93/62/441989362.db2.gz RLSWTKPMKRQROZ-LBPRGKRZSA-N 1 0 331.376 1.579 20 5 EDBDRO CC[C@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)[NH+](C)C ZINC000125304267 442007373 /nfs/dbraw/zinc/00/73/73/442007373.db2.gz VXOBDYHBWOEDHP-OAHLLOKOSA-N 1 0 348.403 1.219 20 5 EDBDRO COc1ccc(CSCC(=O)N2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000125895886 442059073 /nfs/dbraw/zinc/05/90/73/442059073.db2.gz GGGRCUZCBGXZIZ-NSHDSACASA-N 1 0 339.417 1.657 20 5 EDBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000126292935 442096363 /nfs/dbraw/zinc/09/63/63/442096363.db2.gz VGNUDNKBZQSCAI-AWEZNQCLSA-N 1 0 337.424 1.952 20 5 EDBDRO CC[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC[N@@H+]1C[C@@H](C)O ZINC000126042889 442072415 /nfs/dbraw/zinc/07/24/15/442072415.db2.gz FCRIFXPYTLUNED-CJNGLKHVSA-N 1 0 349.431 1.749 20 5 EDBDRO Cc1occc1C(=O)NC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176227634 442195669 /nfs/dbraw/zinc/19/56/69/442195669.db2.gz URSSMUPYTHVKDY-UHFFFAOYSA-N 1 0 347.375 1.587 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000127631910 442216642 /nfs/dbraw/zinc/21/66/42/442216642.db2.gz WHFBHVUGZLWBBH-ABAIWWIYSA-N 1 0 346.387 1.784 20 5 EDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000176865908 442264757 /nfs/dbraw/zinc/26/47/57/442264757.db2.gz VRUXFQQYDKGXJC-GFCCVEGCSA-N 1 0 327.356 1.821 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128639542 442279599 /nfs/dbraw/zinc/27/95/99/442279599.db2.gz CKHWEKBEHSYDNR-GFCCVEGCSA-N 1 0 338.383 1.946 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000176985927 442281207 /nfs/dbraw/zinc/28/12/07/442281207.db2.gz UIBQLRJXCPYRGY-AWEZNQCLSA-N 1 0 344.371 1.176 20 5 EDBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3csc([N+](=O)[O-])c3)C2)CC1 ZINC000170949540 442293451 /nfs/dbraw/zinc/29/34/51/442293451.db2.gz FSRVDHNPGMKVME-CYBMUJFWSA-N 1 0 338.433 1.508 20 5 EDBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000153672591 442295301 /nfs/dbraw/zinc/29/53/01/442295301.db2.gz YJHIHHMPSYZVNQ-UHFFFAOYSA-N 1 0 344.375 1.702 20 5 EDBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)N1CC[NH+](C)CC1 ZINC000154686595 442351946 /nfs/dbraw/zinc/35/19/46/442351946.db2.gz LFXJNHLNAOYTOZ-GFCCVEGCSA-N 1 0 338.383 1.029 20 5 EDBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000171504942 442353536 /nfs/dbraw/zinc/35/35/36/442353536.db2.gz JSLBWAZGHPECIA-CYBMUJFWSA-N 1 0 327.406 1.666 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1C ZINC000172077348 442407109 /nfs/dbraw/zinc/40/71/09/442407109.db2.gz RZDOHGJZROLHSQ-ZDUSSCGKSA-N 1 0 341.433 1.784 20 5 EDBDRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000172304248 442440038 /nfs/dbraw/zinc/44/00/38/442440038.db2.gz FUFBTXZOGBHSID-UHFFFAOYSA-N 1 0 340.767 1.399 20 5 EDBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000178841308 442499779 /nfs/dbraw/zinc/49/97/79/442499779.db2.gz XUCOJTLJQPPHSW-GFCCVEGCSA-N 1 0 343.387 1.980 20 5 EDBDRO CCOC(=O)C1(NC(=O)c2cccc([N+](=O)[O-])c2C)CC[NH+](C)CC1 ZINC000134329663 442470009 /nfs/dbraw/zinc/47/00/09/442470009.db2.gz QNLTXUAVOUNMSG-UHFFFAOYSA-N 1 0 349.387 1.661 20 5 EDBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)NCC[NH+]2CCCCC2)cc1 ZINC000178944802 442533775 /nfs/dbraw/zinc/53/37/75/442533775.db2.gz OYCUTGMDBBJSCY-UHFFFAOYSA-N 1 0 341.433 1.543 20 5 EDBDRO CC[NH+]1CCN(CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134930207 442538340 /nfs/dbraw/zinc/53/83/40/442538340.db2.gz XRPUVKLBATVEHC-UHFFFAOYSA-N 1 0 340.811 1.616 20 5 EDBDRO CCOC(=O)c1ccnc(N2CC[C@H]([NH+]3CC=CC3)C2)c1[N+](=O)[O-] ZINC000172773022 442540702 /nfs/dbraw/zinc/54/07/02/442540702.db2.gz NLLPGMCVVVDXQC-LBPRGKRZSA-N 1 0 332.360 1.617 20 5 EDBDRO Cc1cc(S(=O)(=O)NCCC[NH+]2CCCC2)cc([N+](=O)[O-])c1F ZINC000179188086 442592433 /nfs/dbraw/zinc/59/24/33/442592433.db2.gz QFMCWLIMYZDMQD-UHFFFAOYSA-N 1 0 345.396 1.807 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000186791991 442612726 /nfs/dbraw/zinc/61/27/26/442612726.db2.gz GEEMDFWAASDDMD-FZMZJTMJSA-N 1 0 337.376 1.635 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000173237862 442629516 /nfs/dbraw/zinc/62/95/16/442629516.db2.gz FPLVFRYDYNLLED-NEPJUHHUSA-N 1 0 327.406 1.556 20 5 EDBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000181187405 442683896 /nfs/dbraw/zinc/68/38/96/442683896.db2.gz GSBNFOQKXHUTMY-GFCCVEGCSA-N 1 0 333.344 1.634 20 5 EDBDRO C[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C(N)=O)C1 ZINC000187376329 442672808 /nfs/dbraw/zinc/67/28/08/442672808.db2.gz IQTVUUMADRHTEH-YGRLFVJLSA-N 1 0 335.360 1.547 20 5 EDBDRO Cc1c([C@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cnn1C ZINC000193141935 442717125 /nfs/dbraw/zinc/71/71/25/442717125.db2.gz RKTXYMDEVZXLQK-SMDDNHRTSA-N 1 0 334.376 1.727 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000193287003 442729271 /nfs/dbraw/zinc/72/92/71/442729271.db2.gz YPMRIMUIAYGYND-GWCFXTLKSA-N 1 0 341.433 1.960 20 5 EDBDRO Cc1c(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000193493543 442748117 /nfs/dbraw/zinc/74/81/17/442748117.db2.gz GQBATLGTIHUCKH-YGRLFVJLSA-N 1 0 344.375 1.354 20 5 EDBDRO CCNS(=O)(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182397813 442763314 /nfs/dbraw/zinc/76/33/14/442763314.db2.gz KIXXPNIMSRMXJP-GFCCVEGCSA-N 1 0 347.824 1.762 20 5 EDBDRO C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000188623709 442772388 /nfs/dbraw/zinc/77/23/88/442772388.db2.gz ONOWAKMQYZGEHM-CYBMUJFWSA-N 1 0 335.404 1.441 20 5 EDBDRO CC(C)c1ccc(C(=O)NCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000188950158 442847627 /nfs/dbraw/zinc/84/76/27/442847627.db2.gz JEBMYFYPTVNHME-UHFFFAOYSA-N 1 0 334.420 1.695 20 5 EDBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C(N)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000248388969 442888637 /nfs/dbraw/zinc/88/86/37/442888637.db2.gz AGMBKNXXVSUMJP-ZLKJLUDKSA-N 1 0 334.376 1.556 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000183148068 442889489 /nfs/dbraw/zinc/88/94/89/442889489.db2.gz KYDYPXFIWVDBKZ-NEPJUHHUSA-N 1 0 337.376 1.635 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)c1C ZINC000268272237 442926338 /nfs/dbraw/zinc/92/63/38/442926338.db2.gz SZRGEXCFRZWHLX-FZMZJTMJSA-N 1 0 341.433 1.782 20 5 EDBDRO COc1ccc(CN2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000189412025 442945186 /nfs/dbraw/zinc/94/51/86/442945186.db2.gz GKHCKMABTPUIND-CYBMUJFWSA-N 1 0 337.420 1.880 20 5 EDBDRO C[NH+](C)CCNC(=O)c1cccc(CNc2ncc([N+](=O)[O-])s2)c1 ZINC000195512989 443026498 /nfs/dbraw/zinc/02/64/98/443026498.db2.gz MWYGJFSBTNOBAI-UHFFFAOYSA-N 1 0 349.416 1.955 20 5 EDBDRO O=C(NCC[NH+]1CCC(O)CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000296870710 318732182 /nfs/dbraw/zinc/73/21/82/318732182.db2.gz ISLKYRPANHSVLO-UHFFFAOYSA-N 1 0 344.371 1.330 20 5 EDBDRO C[C@H]1CN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000266208573 443058329 /nfs/dbraw/zinc/05/83/29/443058329.db2.gz PQLVXEGEFIYXES-FZMZJTMJSA-N 1 0 335.360 1.195 20 5 EDBDRO COC(=O)C1CC[NH+](CCCNc2c([N+](=O)[O-])ncn2C)CC1 ZINC000298673239 318840688 /nfs/dbraw/zinc/84/06/88/318840688.db2.gz QALQRBCVGIOHHF-UHFFFAOYSA-N 1 0 325.369 1.015 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)c1C ZINC000268841045 443124907 /nfs/dbraw/zinc/12/49/07/443124907.db2.gz YCRGFFBBJIIMFI-ZDUSSCGKSA-N 1 0 341.433 1.926 20 5 EDBDRO Cc1ccccc1[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266563104 443169310 /nfs/dbraw/zinc/16/93/10/443169310.db2.gz YMVFGNSYJUSDRM-GOEBONIOSA-N 1 0 330.388 1.950 20 5 EDBDRO Cc1nn(C)c(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000299010848 318868125 /nfs/dbraw/zinc/86/81/25/318868125.db2.gz CLGLVYBOGRCYCV-LLVKDONJSA-N 1 0 337.405 1.731 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000269031970 443177607 /nfs/dbraw/zinc/17/76/07/443177607.db2.gz ANRMAOSAUFPOAQ-WBVHZDCISA-N 1 0 345.403 1.729 20 5 EDBDRO [NH3+][C@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000261987123 443178351 /nfs/dbraw/zinc/17/83/51/443178351.db2.gz XNYHMYICYYNRHE-LLVKDONJSA-N 1 0 327.768 1.871 20 5 EDBDRO COc1cc(CCNC(=O)[C@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OC ZINC000269063548 443187587 /nfs/dbraw/zinc/18/75/87/443187587.db2.gz VZTNUUYPZVACKB-CQSZACIVSA-N 1 0 325.365 1.254 20 5 EDBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1cccc(O)c1 ZINC000245430991 443227300 /nfs/dbraw/zinc/22/73/00/443227300.db2.gz NVABUKAZLDQLGW-MLGOLLRUSA-N 1 0 334.376 1.941 20 5 EDBDRO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[NH2+]1 ZINC000269218553 443237255 /nfs/dbraw/zinc/23/72/55/443237255.db2.gz QKIWENVRPHXZNV-ZETCQYMHSA-N 1 0 346.156 1.930 20 5 EDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@H](C)O)[C@@H](C)CO ZINC000190885057 443203989 /nfs/dbraw/zinc/20/39/89/443203989.db2.gz GTIJTHOXILAYAL-STQMWFEESA-N 1 0 326.393 1.946 20 5 EDBDRO C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000411985890 319218669 /nfs/dbraw/zinc/21/86/69/319218669.db2.gz QBMUABQVMDCCIB-OAHLLOKOSA-N 1 0 329.404 1.998 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000264357374 443261370 /nfs/dbraw/zinc/26/13/70/443261370.db2.gz IQUHGQWEHQEVHB-CQSZACIVSA-N 1 0 333.388 1.979 20 5 EDBDRO CC[NH+]1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])cc3COC)C2)CC1 ZINC000266967753 443305558 /nfs/dbraw/zinc/30/55/58/443305558.db2.gz KNWPGBICJSIMLI-KRWDZBQOSA-N 1 0 348.447 1.957 20 5 EDBDRO C[C@H]1CCC[N@H+](CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000272479037 443333662 /nfs/dbraw/zinc/33/36/62/443333662.db2.gz JBRIKNVFOCAEGZ-NSHDSACASA-N 1 0 342.421 1.386 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000282419706 443333859 /nfs/dbraw/zinc/33/38/59/443333859.db2.gz YNZBQAIUAIDIKM-MAUKXSAKSA-N 1 0 349.431 1.672 20 5 EDBDRO C[NH+]1CCC(O)(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000267090177 443338509 /nfs/dbraw/zinc/33/85/09/443338509.db2.gz KFBDTPVKOCROEE-UHFFFAOYSA-N 1 0 333.344 1.528 20 5 EDBDRO Cc1nn(CCC(=O)NCC2(C)CC[NH+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000272617238 443384638 /nfs/dbraw/zinc/38/46/38/443384638.db2.gz XKDDSEKUHJYBAE-UHFFFAOYSA-N 1 0 337.424 1.646 20 5 EDBDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000269573267 443352335 /nfs/dbraw/zinc/35/23/35/443352335.db2.gz IUMVHXZNTHCLKS-CYBMUJFWSA-N 1 0 346.387 1.653 20 5 EDBDRO COC[C@](C)(CCO)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000267318047 443416592 /nfs/dbraw/zinc/41/65/92/443416592.db2.gz DRDVQOFYBOMYKC-HNNXBMFYSA-N 1 0 326.349 1.338 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c1 ZINC000420423669 319616592 /nfs/dbraw/zinc/61/65/92/319616592.db2.gz NIRHAOTYODAOIP-QWRGUYRKSA-N 1 0 327.406 1.583 20 5 EDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000272744187 443429426 /nfs/dbraw/zinc/42/94/26/443429426.db2.gz DDAPRKMGUHUYJR-JTQLQIEISA-N 1 0 334.332 1.883 20 5 EDBDRO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCCO1 ZINC000278765679 443430507 /nfs/dbraw/zinc/43/05/07/443430507.db2.gz XSCZJKSJYJZHRS-LSDHHAIUSA-N 1 0 338.360 1.745 20 5 EDBDRO COCC[NH2+]CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423317385 319763720 /nfs/dbraw/zinc/76/37/20/319763720.db2.gz AXLDZIFSSFZQRT-OAHLLOKOSA-N 1 0 333.392 1.243 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000267655833 443529599 /nfs/dbraw/zinc/52/95/99/443529599.db2.gz CMPXCTRRDINONZ-ZFWWWQNUSA-N 1 0 349.435 1.509 20 5 EDBDRO O=C(C[NH2+][C@H]1CCC[C@H]1CCO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000279337727 443558629 /nfs/dbraw/zinc/55/86/29/443558629.db2.gz ULZHMGMMMCMTOI-WFASDCNBSA-N 1 0 333.388 1.625 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000265185959 443562519 /nfs/dbraw/zinc/56/25/19/443562519.db2.gz HPPMKWVCOLENFI-ZDUSSCGKSA-N 1 0 348.403 1.125 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)c1 ZINC000425547759 319850009 /nfs/dbraw/zinc/85/00/09/319850009.db2.gz TYSGYAUEIYPKBZ-OAHLLOKOSA-N 1 0 338.408 1.339 20 5 EDBDRO Cc1c(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000272323630 443591433 /nfs/dbraw/zinc/59/14/33/443591433.db2.gz ULBFXCHEZUDOCX-GHMZBOCLSA-N 1 0 336.348 1.929 20 5 EDBDRO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000286055286 443635923 /nfs/dbraw/zinc/63/59/23/443635923.db2.gz FQLRAQHTUKOUTK-ZYHUDNBSSA-N 1 0 334.376 1.285 20 5 EDBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000429209791 319924343 /nfs/dbraw/zinc/92/43/43/319924343.db2.gz FYBZFCJSIYMKCC-NSHDSACASA-N 1 0 335.360 1.486 20 5 EDBDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286155134 443657823 /nfs/dbraw/zinc/65/78/23/443657823.db2.gz WBKNYGLAXMSVRJ-XOKHGSTOSA-N 1 0 335.404 1.423 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1C[C@@H](OC)C1(C)C ZINC000451495173 320235443 /nfs/dbraw/zinc/23/54/43/320235443.db2.gz KZWOZCFGDFGVDE-UONOGXRCSA-N 1 0 337.376 1.945 20 5 EDBDRO COC[C@](C)(O)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453264826 320261555 /nfs/dbraw/zinc/26/15/55/320261555.db2.gz WAYXKFKVTIINKB-KCQAQPDRSA-N 1 0 326.397 1.652 20 5 EDBDRO CON1CCC([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000459594384 320348828 /nfs/dbraw/zinc/34/88/28/320348828.db2.gz XYBOHFPPWBIYQQ-HNNXBMFYSA-N 1 0 339.392 1.292 20 5 EDBDRO CC[NH+]1CCN(CCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000490856347 320363785 /nfs/dbraw/zinc/36/37/85/320363785.db2.gz OOJNIWLOMKOMML-BQYQJAHWSA-N 1 0 346.431 1.752 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491521122 320371089 /nfs/dbraw/zinc/37/10/89/320371089.db2.gz RRHNFKHWKAIFAS-FNORWQNLSA-N 1 0 339.367 1.784 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280830928 443754523 /nfs/dbraw/zinc/75/45/23/443754523.db2.gz VYZIJODDOOZIQG-INIZCTEOSA-N 1 0 334.376 1.429 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000298425799 443767279 /nfs/dbraw/zinc/76/72/79/443767279.db2.gz PVULFMLAJYNUCR-GFCCVEGCSA-N 1 0 336.348 1.978 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)[C@@H]2C1 ZINC000285076465 443846371 /nfs/dbraw/zinc/84/63/71/443846371.db2.gz PODUINYFUZSGHS-IINYFYTJSA-N 1 0 329.360 1.774 20 5 EDBDRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC000285334113 443945850 /nfs/dbraw/zinc/94/58/50/443945850.db2.gz ULHGKQWWSDORCZ-CMPLNLGQSA-N 1 0 346.391 1.581 20 5 EDBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293512571 444039418 /nfs/dbraw/zinc/03/94/18/444039418.db2.gz TVEFVQFNDGPAKV-IINYFYTJSA-N 1 0 342.355 1.673 20 5 EDBDRO COc1ccc(NC(=O)CCN2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000299337728 444022106 /nfs/dbraw/zinc/02/21/06/444022106.db2.gz NBQCVZLMFYOGKB-UHFFFAOYSA-N 1 0 348.403 1.712 20 5 EDBDRO COCCn1nnc2c1CCN(C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000293626056 444073712 /nfs/dbraw/zinc/07/37/12/444073712.db2.gz LBTBRVLTJAFLDX-GQCTYLIASA-N 1 0 343.387 1.904 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000564966264 321161066 /nfs/dbraw/zinc/16/10/66/321161066.db2.gz DTTGXRDJFJXXIP-JTQLQIEISA-N 1 0 337.348 1.418 20 5 EDBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000565299496 321180358 /nfs/dbraw/zinc/18/03/58/321180358.db2.gz IOCOIBWFXNCVTD-HNNXBMFYSA-N 1 0 336.367 1.859 20 5 EDBDRO CC(C)[NH+]1CCN(CCCn2cc([N+](=O)[O-])cc(F)c2=O)CC1 ZINC000565480001 321188498 /nfs/dbraw/zinc/18/84/98/321188498.db2.gz OKFDSQPCRMDVLB-UHFFFAOYSA-N 1 0 326.372 1.312 20 5 EDBDRO Cn1c(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000566972969 321237905 /nfs/dbraw/zinc/23/79/05/321237905.db2.gz IMIKEHWGACOIMW-IUODEOHRSA-N 1 0 336.392 1.292 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1cccc(CO)n1 ZINC000568632505 321299859 /nfs/dbraw/zinc/29/98/59/321299859.db2.gz UAGCWRUEZRGTNS-AWEZNQCLSA-N 1 0 333.344 1.012 20 5 EDBDRO O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000571088730 321370466 /nfs/dbraw/zinc/37/04/66/321370466.db2.gz NAYKNMMEZSQQEP-LLVKDONJSA-N 1 0 342.359 1.141 20 5 EDBDRO Cc1nn(C)c(N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1[N+](=O)[O-] ZINC000301228156 444156291 /nfs/dbraw/zinc/15/62/91/444156291.db2.gz HIPTWTOTAUUZIB-NSHDSACASA-N 1 0 325.413 1.166 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000301388685 444168304 /nfs/dbraw/zinc/16/83/04/444168304.db2.gz FBGCJDFKIDZZAW-ZDUSSCGKSA-N 1 0 348.403 1.242 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000299707384 444121539 /nfs/dbraw/zinc/12/15/39/444121539.db2.gz PTKGWYIZDYYYKV-GFCCVEGCSA-N 1 0 334.376 1.252 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000299712719 444122202 /nfs/dbraw/zinc/12/22/02/444122202.db2.gz QSONYPOUOZNZPZ-TZMCWYRMSA-N 1 0 346.387 1.537 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000302632109 444217996 /nfs/dbraw/zinc/21/79/96/444217996.db2.gz JLEAEKXFGXEOKF-NSHDSACASA-N 1 0 327.406 1.752 20 5 EDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000301745795 444188378 /nfs/dbraw/zinc/18/83/78/444188378.db2.gz OTKBIDKPNCEWPD-ZDUSSCGKSA-N 1 0 339.827 1.859 20 5 EDBDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000289691543 444191295 /nfs/dbraw/zinc/19/12/95/444191295.db2.gz SMWVSHDYACXQOA-PBHICJAKSA-N 1 0 346.431 1.878 20 5 EDBDRO C[C@@H]1C[NH+](C(C)(C)CNc2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H](C)O1 ZINC000301838466 444193480 /nfs/dbraw/zinc/19/34/80/444193480.db2.gz NJWMYWPEJHKFSX-VXGBXAGGSA-N 1 0 348.407 1.937 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCN1CCC(O)CC1)C1CC1 ZINC000296015402 444198983 /nfs/dbraw/zinc/19/89/83/444198983.db2.gz RLTBSYBUZKPOJP-QGZVFWFLSA-N 1 0 333.432 1.962 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(N3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@@H]4C3)nn21 ZINC000302005756 444200475 /nfs/dbraw/zinc/20/04/75/444200475.db2.gz SYXCAFDVKQMCRP-YNEHKIRRSA-N 1 0 328.376 1.558 20 5 EDBDRO CCC[NH+]1CCC(Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000302102944 444204027 /nfs/dbraw/zinc/20/40/27/444204027.db2.gz QQMGGANFPUPCOK-UHFFFAOYSA-N 1 0 342.421 1.529 20 5 EDBDRO COc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304331545 444247038 /nfs/dbraw/zinc/24/70/38/444247038.db2.gz VGKTVXYEDINJNG-HOCLYGCPSA-N 1 0 346.387 1.998 20 5 EDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000576576884 321578290 /nfs/dbraw/zinc/57/82/90/321578290.db2.gz MRFFYTVUYIXUAP-QGZVFWFLSA-N 1 0 332.404 1.999 20 5 EDBDRO CO[C@H]1COC[C@@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000290186700 444252395 /nfs/dbraw/zinc/25/23/95/444252395.db2.gz RMUBONGJPJGDGN-JQWIXIFHSA-N 1 0 329.740 1.190 20 5 EDBDRO CN(C)S(=O)(=O)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000290036120 444233633 /nfs/dbraw/zinc/23/36/33/444233633.db2.gz DEMQHAWQTBGKRP-CQSZACIVSA-N 1 0 341.433 1.798 20 5 EDBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@@](C)(O)C[NH+](C)C ZINC000297606906 444307931 /nfs/dbraw/zinc/30/79/31/444307931.db2.gz VIQUIFIDGPSUIH-MRXNPFEDSA-N 1 0 334.376 1.876 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000290678808 444310116 /nfs/dbraw/zinc/31/01/16/444310116.db2.gz QDMFENDICLFFDP-UHFFFAOYSA-N 1 0 342.827 1.862 20 5 EDBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[N@@H+]1C1CC1 ZINC000290732561 444316567 /nfs/dbraw/zinc/31/65/67/444316567.db2.gz GBZKWTYCWJNZAR-NXEZZACHSA-N 1 0 340.405 1.279 20 5 EDBDRO CNC(=O)c1ccc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000325524028 444366700 /nfs/dbraw/zinc/36/67/00/444366700.db2.gz DMLRLKNGXSFGSN-STQMWFEESA-N 1 0 334.376 1.230 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000578442879 321775491 /nfs/dbraw/zinc/77/54/91/321775491.db2.gz LXGMYFMOLSANLN-OAHLLOKOSA-N 1 0 339.417 1.500 20 5 EDBDRO [NH3+][C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000579593894 321951834 /nfs/dbraw/zinc/95/18/34/321951834.db2.gz JNZUJHBXHDAPHS-AWEZNQCLSA-N 1 0 332.404 1.665 20 5 EDBDRO Cc1ccnc([C@@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000580580841 322070889 /nfs/dbraw/zinc/07/08/89/322070889.db2.gz IYVSVZUQVDPQKW-UKRRQHHQSA-N 1 0 331.376 1.345 20 5 EDBDRO CC(C)Oc1nc(N2CC[N@H+](C[C@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000580785311 322095735 /nfs/dbraw/zinc/09/57/35/322095735.db2.gz VDYNTSWFAHVSCH-OLZOCXBDSA-N 1 0 338.408 1.668 20 5 EDBDRO [NH3+]CCC1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000581614816 322200120 /nfs/dbraw/zinc/20/01/20/322200120.db2.gz JPWWDRKWGCURHQ-UHFFFAOYSA-N 1 0 343.387 1.982 20 5 EDBDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000340807250 444517992 /nfs/dbraw/zinc/51/79/92/444517992.db2.gz DAUPPYYUPZFJDK-CYBMUJFWSA-N 1 0 341.795 1.825 20 5 EDBDRO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000340878583 444554743 /nfs/dbraw/zinc/55/47/43/444554743.db2.gz JBDANTBNJVTVPK-JOYOIKCWSA-N 1 0 347.824 1.819 20 5 EDBDRO C[C@H](C[NH+](C)C)Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000343814515 444606678 /nfs/dbraw/zinc/60/66/78/444606678.db2.gz XUBQHMJCHZBWKJ-LLVKDONJSA-N 1 0 331.376 1.921 20 5 EDBDRO CCN(CC)S(=O)(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000343993718 444715223 /nfs/dbraw/zinc/71/52/23/444715223.db2.gz ADWPHNDJKKXEGI-GFCCVEGCSA-N 1 0 329.422 1.917 20 5 EDBDRO Cc1sc(S(=O)(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000342518771 444728019 /nfs/dbraw/zinc/72/80/19/444728019.db2.gz WGNGTNYSYFFZRU-KWQFWETISA-N 1 0 333.435 1.535 20 5 EDBDRO C[C@H]1[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343949846 444689858 /nfs/dbraw/zinc/68/98/58/444689858.db2.gz FERJZCFGNYGKIG-FZMZJTMJSA-N 1 0 327.406 1.497 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338593372 444762712 /nfs/dbraw/zinc/76/27/12/444762712.db2.gz KWESXRQOUKAJHL-HNNXBMFYSA-N 1 0 325.340 1.638 20 5 EDBDRO C[N@H+](CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000338684851 444807240 /nfs/dbraw/zinc/80/72/40/444807240.db2.gz UZKQNHUGXWZNFX-UHFFFAOYSA-N 1 0 345.403 1.775 20 5 EDBDRO CC[N@H+](CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000338764958 444843085 /nfs/dbraw/zinc/84/30/85/444843085.db2.gz DGSBPIZSOGSDFF-UHFFFAOYSA-N 1 0 336.392 1.171 20 5 EDBDRO COCC[C@@H]1CCCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000342744913 444845087 /nfs/dbraw/zinc/84/50/87/444845087.db2.gz LYIZJELQBISZPA-DZGCQCFKSA-N 1 0 326.397 1.291 20 5 EDBDRO CCCC[NH+]1CCC(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000338813560 444865033 /nfs/dbraw/zinc/86/50/33/444865033.db2.gz FLRXWASGJYUABU-UHFFFAOYSA-N 1 0 337.424 1.907 20 5 EDBDRO C[C@@](O)(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000330377655 444959382 /nfs/dbraw/zinc/95/93/82/444959382.db2.gz FJYGUIWERWFNHI-JOYOIKCWSA-N 1 0 334.298 1.789 20 5 EDBDRO Cc1n[nH]c(C(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000343061095 445034769 /nfs/dbraw/zinc/03/47/69/445034769.db2.gz CBHZQAQZIKWQPJ-OLZOCXBDSA-N 1 0 329.360 1.454 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000330587292 445048312 /nfs/dbraw/zinc/04/83/12/445048312.db2.gz MEDICGJLTRDJJC-NEPJUHHUSA-N 1 0 336.392 1.566 20 5 EDBDRO Cc1cc(F)cc2c1C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000337452241 445087535 /nfs/dbraw/zinc/08/75/35/445087535.db2.gz LCQCSPJPPYRALV-HNNXBMFYSA-N 1 0 334.351 1.658 20 5 EDBDRO COc1cc(C(=O)NCCNc2cc[nH+]cc2)c([N+](=O)[O-])cc1OC ZINC000341872199 445045317 /nfs/dbraw/zinc/04/53/17/445045317.db2.gz ZGIZTBMBVIQCST-UHFFFAOYSA-N 1 0 346.343 1.271 20 5 EDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337553184 445134271 /nfs/dbraw/zinc/13/42/71/445134271.db2.gz RCNVOXVBSAEGJD-ZBFHGGJFSA-N 1 0 347.419 1.933 20 5 EDBDRO Cn1nccc1[C@H]1[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC(=O)N1C ZINC000343445355 445224019 /nfs/dbraw/zinc/22/40/19/445224019.db2.gz DMFOHOBZSKEKMN-XJKSGUPXSA-N 1 0 329.360 1.390 20 5 EDBDRO O=C(NC1CC1)[C@H](O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000343435487 445222312 /nfs/dbraw/zinc/22/23/12/445222312.db2.gz HBUPAQWMXDEVNQ-MRXNPFEDSA-N 1 0 333.388 1.446 20 5 EDBDRO Cc1nc(NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000348351823 445264982 /nfs/dbraw/zinc/26/49/82/445264982.db2.gz MAXXNIOTCFGZBV-CQSZACIVSA-N 1 0 335.408 1.653 20 5 EDBDRO CCC[N@H+](C)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000354677965 445337177 /nfs/dbraw/zinc/33/71/77/445337177.db2.gz PBRRZOIRQBXPIO-UHFFFAOYSA-N 1 0 348.403 1.221 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCN(c2ccnn2C)C1=O ZINC000359795536 445432244 /nfs/dbraw/zinc/43/22/44/445432244.db2.gz IFIHNNFNPFEAAG-HNNXBMFYSA-N 1 0 343.387 1.922 20 5 EDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000357297771 445533441 /nfs/dbraw/zinc/53/34/41/445533441.db2.gz MGDZDDPWJVULCY-AGKHESDQSA-N 1 0 349.387 1.411 20 5 EDBDRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000355799990 445485406 /nfs/dbraw/zinc/48/54/06/445485406.db2.gz UGXJSZZKILVERP-KRWDZBQOSA-N 1 0 344.371 1.290 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@H]1Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000362672365 445490877 /nfs/dbraw/zinc/49/08/77/445490877.db2.gz MPHNCNROTZTFNG-YPMHNXCESA-N 1 0 327.406 1.893 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000353779731 445752044 /nfs/dbraw/zinc/75/20/44/445752044.db2.gz PAJACIPSFOVJQH-OCCSQVGLSA-N 1 0 338.360 1.397 20 5 EDBDRO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)[NH+](C)C)cc1 ZINC000356441310 445791277 /nfs/dbraw/zinc/79/12/77/445791277.db2.gz AGOVBUUNUCZGDE-CQSZACIVSA-N 1 0 331.376 1.669 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000356473328 445809766 /nfs/dbraw/zinc/80/97/66/445809766.db2.gz DRIUHYAHDBKYTK-CYBMUJFWSA-N 1 0 331.376 1.231 20 5 EDBDRO COCC[C@]1([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCOC1 ZINC000582102125 325772067 /nfs/dbraw/zinc/77/20/67/325772067.db2.gz XOMJTDQVXLQVNW-BBRMVZONSA-N 1 0 340.376 1.120 20 5 EDBDRO CC[C@H](O)[C@H](CC)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000582122510 325780272 /nfs/dbraw/zinc/78/02/72/325780272.db2.gz QNTOYQSEFFVVQV-KBPBESRZSA-N 1 0 330.406 1.508 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000364062143 445893642 /nfs/dbraw/zinc/89/36/42/445893642.db2.gz QGZYCPAIXIYHTM-GFCCVEGCSA-N 1 0 347.371 1.676 20 5 EDBDRO O=Cc1ccc(OCC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000369132435 445945051 /nfs/dbraw/zinc/94/50/51/445945051.db2.gz NRBGDXUACWNJGG-KBPBESRZSA-N 1 0 347.371 1.529 20 5 EDBDRO CNS(=O)(=O)c1ccc(N2CC[N@H+](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000356794670 446027647 /nfs/dbraw/zinc/02/76/47/446027647.db2.gz NBMOOMDKGVNEGS-MNOVXSKESA-N 1 0 342.421 1.032 20 5 EDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000359201860 446030627 /nfs/dbraw/zinc/03/06/27/446030627.db2.gz BCYNWRVPJJSQDJ-AWEZNQCLSA-N 1 0 343.387 1.995 20 5 EDBDRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000369282347 446046844 /nfs/dbraw/zinc/04/68/44/446046844.db2.gz GPTJTRQJQLDUFE-KGLIPLIRSA-N 1 0 334.380 1.113 20 5 EDBDRO C[C@@H]1CC2(CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000583806803 326142826 /nfs/dbraw/zinc/14/28/26/326142826.db2.gz IRCCUMDXELXLRU-GFCCVEGCSA-N 1 0 339.417 1.748 20 5 EDBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1(C)CC1 ZINC000583927853 326166945 /nfs/dbraw/zinc/16/69/45/326166945.db2.gz MUVDCMDVOVERBE-UHFFFAOYSA-N 1 0 327.406 1.605 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000369327421 446076384 /nfs/dbraw/zinc/07/63/84/446076384.db2.gz RTGVUHVYDOXGDK-AEGPPILISA-N 1 0 339.417 1.484 20 5 EDBDRO Nc1c(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000366203296 446082118 /nfs/dbraw/zinc/08/21/18/446082118.db2.gz RJNNVFVUVFAPTM-LBPRGKRZSA-N 1 0 334.376 1.160 20 5 EDBDRO C[NH+]1CCC(CC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000366234209 446098185 /nfs/dbraw/zinc/09/81/85/446098185.db2.gz DMGNPNBXTGOSOC-UHFFFAOYSA-N 1 0 335.408 1.687 20 5 EDBDRO C[NH+]1CCC(n2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)n2)CC1 ZINC000373233951 446110571 /nfs/dbraw/zinc/11/05/71/446110571.db2.gz ULKTUIBFUUZOOP-UHFFFAOYSA-N 1 0 347.350 2.449 20 5 EDBDRO C[C@H]1[C@H](NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000351578506 446175285 /nfs/dbraw/zinc/17/52/85/446175285.db2.gz CCYIBDHLSLYKMR-TVQRCGJNSA-N 1 0 338.339 1.271 20 5 EDBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@]1(CO)CCOC1 ZINC000359584733 446304969 /nfs/dbraw/zinc/30/49/69/446304969.db2.gz SDTMURDQGSTFFH-QGZVFWFLSA-N 1 0 347.371 1.876 20 5 EDBDRO Cn1ccnc1[C@@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000374355427 446364888 /nfs/dbraw/zinc/36/48/88/446364888.db2.gz XZADEJUJPUCKOE-LLVKDONJSA-N 1 0 336.373 1.507 20 5 EDBDRO CCc1cc(NC[C@H]2C[NH2+]CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420272504 446443894 /nfs/dbraw/zinc/44/38/94/446443894.db2.gz CMWAGLNUNVNEKK-OAHLLOKOSA-N 1 0 343.387 1.436 20 5 EDBDRO C[C@@]1(F)C[NH2+]CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000420275636 446445035 /nfs/dbraw/zinc/44/50/35/446445035.db2.gz ZLSCAUCBWXOVIK-CYBMUJFWSA-N 1 0 331.369 1.136 20 5 EDBDRO C[C@@H]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420280474 446448085 /nfs/dbraw/zinc/44/80/85/446448085.db2.gz LHKJSFVNXGUWPL-GDBMZVCRSA-N 1 0 348.447 1.848 20 5 EDBDRO C[NH2+][C@@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000417998399 446411645 /nfs/dbraw/zinc/41/16/45/446411645.db2.gz VCKQGTUKBUYOAQ-GFCCVEGCSA-N 1 0 326.784 1.794 20 5 EDBDRO COc1ccc(NC(=O)CC[NH2+][C@](C)(CN)C(C)C)c([N+](=O)[O-])c1 ZINC000420301783 446464460 /nfs/dbraw/zinc/46/44/60/446464460.db2.gz JEGLJFQLIKSLKK-MRXNPFEDSA-N 1 0 338.408 1.895 20 5 EDBDRO CC(C)(NC(=O)NCCN1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000418293848 446488615 /nfs/dbraw/zinc/48/86/15/446488615.db2.gz GAACSOYWWWXVCW-UHFFFAOYSA-N 1 0 335.408 1.034 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]C[C@@](C)(F)C1 ZINC000420331673 446500665 /nfs/dbraw/zinc/50/06/65/446500665.db2.gz IRZSDPDULHSNCX-OAHLLOKOSA-N 1 0 340.355 1.175 20 5 EDBDRO O=C(NCCCC[NH+]1CCOCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411450092 446550051 /nfs/dbraw/zinc/55/00/51/446550051.db2.gz UDNCFZKJUFZMFQ-DLBZAZTESA-N 1 0 347.415 1.927 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000375059278 446553290 /nfs/dbraw/zinc/55/32/90/446553290.db2.gz JKWQZRBZWMRONB-FZMZJTMJSA-N 1 0 332.360 1.086 20 5 EDBDRO C[C@@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000420408587 446581572 /nfs/dbraw/zinc/58/15/72/446581572.db2.gz PRIWVKCLTNHURJ-CHWSQXEVSA-N 1 0 341.433 1.285 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000420419751 446593320 /nfs/dbraw/zinc/59/33/20/446593320.db2.gz JKCDJVCKUIEBBS-NWANDNLSSA-N 1 0 339.417 1.136 20 5 EDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418669590 446643001 /nfs/dbraw/zinc/64/30/01/446643001.db2.gz JYBMQKDRJKHPKN-ARLBYUKCSA-N 1 0 330.388 1.702 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000411655167 446635533 /nfs/dbraw/zinc/63/55/33/446635533.db2.gz IVQVSRXYBYPEOR-NWDGAFQWSA-N 1 0 337.376 1.635 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418789435 446703564 /nfs/dbraw/zinc/70/35/64/446703564.db2.gz WSJWNPVJEMUIOZ-TYNCELHUSA-N 1 0 348.403 1.500 20 5 EDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000418796828 446707492 /nfs/dbraw/zinc/70/74/92/446707492.db2.gz ULXFIAFBYCDNSH-KBPBESRZSA-N 1 0 347.419 1.554 20 5 EDBDRO COC(=O)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+](C)C1 ZINC000411907795 446717063 /nfs/dbraw/zinc/71/70/63/446717063.db2.gz DOTZIMMBQLOFOK-GFCCVEGCSA-N 1 0 341.795 1.785 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000368232158 446725835 /nfs/dbraw/zinc/72/58/35/446725835.db2.gz PYHRGSMWZBBXSL-QLFBSQMISA-N 1 0 336.392 1.186 20 5 EDBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c([N+](=O)[O-])c1 ZINC000411943322 446752408 /nfs/dbraw/zinc/75/24/08/446752408.db2.gz QHLZNWZFLBELGY-LBPRGKRZSA-N 1 0 337.376 1.392 20 5 EDBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437850553 446765977 /nfs/dbraw/zinc/76/59/77/446765977.db2.gz WWRZYWCMYCUYQS-CYBMUJFWSA-N 1 0 336.396 1.100 20 5 EDBDRO C[NH+](C)C1CCC(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000420722673 446771128 /nfs/dbraw/zinc/77/11/28/446771128.db2.gz FVJFBCLSOJKCFO-UHFFFAOYSA-N 1 0 327.406 1.746 20 5 EDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000423951127 446795289 /nfs/dbraw/zinc/79/52/89/446795289.db2.gz JEQDTJNURSPDIU-AWEZNQCLSA-N 1 0 331.376 1.884 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412037013 446798733 /nfs/dbraw/zinc/79/87/33/446798733.db2.gz MUFBHYOTQSLTOX-XOKHGSTOSA-N 1 0 346.431 1.450 20 5 EDBDRO C[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C[NH3+] ZINC000424000974 446817143 /nfs/dbraw/zinc/81/71/43/446817143.db2.gz CBLMZDQRMSAUPU-MNOVXSKESA-N 1 0 335.360 1.423 20 5 EDBDRO Cn1c(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000424006385 446820111 /nfs/dbraw/zinc/82/01/11/446820111.db2.gz DJDURTJVXMYCOY-QWHCGFSZSA-N 1 0 332.335 1.639 20 5 EDBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000375481248 446833787 /nfs/dbraw/zinc/83/37/87/446833787.db2.gz FDFKOMMURZJQJI-AWEZNQCLSA-N 1 0 335.404 1.443 20 5 EDBDRO Cc1nnc([C@H]2CC[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000412040611 446803973 /nfs/dbraw/zinc/80/39/73/446803973.db2.gz LTCNFQLQLWACQK-QWHCGFSZSA-N 1 0 347.375 1.251 20 5 EDBDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000377039005 446878280 /nfs/dbraw/zinc/87/82/80/446878280.db2.gz CWUXJLXDVQTRKF-KIDURHIOSA-N 1 0 335.326 1.573 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000377121591 446935112 /nfs/dbraw/zinc/93/51/12/446935112.db2.gz WHBYTODYQUTLLN-GFCCVEGCSA-N 1 0 334.376 1.759 20 5 EDBDRO CNc1nc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000454743391 446960927 /nfs/dbraw/zinc/96/09/27/446960927.db2.gz PNZCLKUHEAWQHO-NWDGAFQWSA-N 1 0 335.408 1.882 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C[C@H]21 ZINC000368595583 446968643 /nfs/dbraw/zinc/96/86/43/446968643.db2.gz SWSIEKVZBUOEKH-IAQYHMDHSA-N 1 0 337.351 1.665 20 5 EDBDRO CNc1nc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000454983340 447019623 /nfs/dbraw/zinc/01/96/23/447019623.db2.gz AVAVICSPVWMTEN-VXGBXAGGSA-N 1 0 335.408 1.882 20 5 EDBDRO C[C@@H]1CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H]1CO ZINC000442881973 446987629 /nfs/dbraw/zinc/98/76/29/446987629.db2.gz OTGIOOXZMAXZDJ-RISCZKNCSA-N 1 0 335.360 1.596 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425218986 447069464 /nfs/dbraw/zinc/06/94/64/447069464.db2.gz ZZIBLHUTEDZKOZ-GXTWGEPZSA-N 1 0 339.417 1.618 20 5 EDBDRO C[N@H+](CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCSC1 ZINC000444637480 447113159 /nfs/dbraw/zinc/11/31/59/447113159.db2.gz PUAFLFWBOZMWND-LLVKDONJSA-N 1 0 349.416 1.525 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000375830853 447087277 /nfs/dbraw/zinc/08/72/77/447087277.db2.gz LJZIJCMBMWVLNZ-GOEBONIOSA-N 1 0 332.404 1.873 20 5 EDBDRO COc1cc(OCC(=O)N(C)[C@H]2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000372577718 447157346 /nfs/dbraw/zinc/15/73/46/447157346.db2.gz ZCRRKQWLCBVSDC-LBPRGKRZSA-N 1 0 337.376 1.583 20 5 EDBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000375931957 447158943 /nfs/dbraw/zinc/15/89/43/447158943.db2.gz KHOAYLFDLCUSKA-MLGOLLRUSA-N 1 0 341.371 1.605 20 5 EDBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000425475375 447180536 /nfs/dbraw/zinc/18/05/36/447180536.db2.gz KWJHZKMRTLCZLK-YPMHNXCESA-N 1 0 345.193 1.987 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000413473145 447192508 /nfs/dbraw/zinc/19/25/08/447192508.db2.gz UWELVSKKERRYSG-CABCVRRESA-N 1 0 335.360 1.209 20 5 EDBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000368973245 447236906 /nfs/dbraw/zinc/23/69/06/447236906.db2.gz JEGZVSAMECHZIM-LLVKDONJSA-N 1 0 341.795 1.777 20 5 EDBDRO O=C(NCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccn[nH]1 ZINC000447593465 447279569 /nfs/dbraw/zinc/27/95/69/447279569.db2.gz SCVIFIJUSDWLIP-AAEUAGOBSA-N 1 0 347.379 1.018 20 5 EDBDRO CCC[NH2+]CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415518789 447493090 /nfs/dbraw/zinc/49/30/90/447493090.db2.gz NGQXTHOTMZLKSF-UHFFFAOYSA-N 1 0 328.756 1.303 20 5 EDBDRO COc1c[nH+]ccc1N1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000450499895 447508266 /nfs/dbraw/zinc/50/82/66/447508266.db2.gz JXSDUPPSOSSAGW-UHFFFAOYSA-N 1 0 330.348 1.423 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000427121771 447548176 /nfs/dbraw/zinc/54/81/76/447548176.db2.gz LKZHCJSPDWCTNA-CQSZACIVSA-N 1 0 343.387 1.816 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000416493837 447624540 /nfs/dbraw/zinc/62/45/40/447624540.db2.gz GOZKGUNVIIIMPT-LBPRGKRZSA-N 1 0 327.406 1.442 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)N(CCO)C[C@@H]1C ZINC000416719925 447678017 /nfs/dbraw/zinc/67/80/17/447678017.db2.gz DPFUOEFTDUUUSC-STQMWFEESA-N 1 0 336.392 1.822 20 5 EDBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000420236725 447681110 /nfs/dbraw/zinc/68/11/10/447681110.db2.gz BFUMACVLEOQQFD-LBPRGKRZSA-N 1 0 346.391 1.295 20 5 EDBDRO O=C(CCC(=O)N1CC[NH+]2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC000451108533 447685895 /nfs/dbraw/zinc/68/58/95/447685895.db2.gz WNKUDNDIELUYAQ-UHFFFAOYSA-N 1 0 331.372 1.864 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000422833580 447763760 /nfs/dbraw/zinc/76/37/60/447763760.db2.gz YZJUHRMCJTVKQZ-GHMZBOCLSA-N 1 0 335.360 1.594 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422710241 447722906 /nfs/dbraw/zinc/72/29/06/447722906.db2.gz FKZBVHFIWGUQQM-HRCADAONSA-N 1 0 335.404 1.850 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000458192108 447741828 /nfs/dbraw/zinc/74/18/28/447741828.db2.gz OQKZGDOLVQXOPB-ZDUSSCGKSA-N 1 0 348.403 1.173 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NCC[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000422800976 447754135 /nfs/dbraw/zinc/75/41/35/447754135.db2.gz DJQWTKCJXGNNSJ-LLVKDONJSA-N 1 0 335.360 1.501 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C ZINC000486929475 447826439 /nfs/dbraw/zinc/82/64/39/447826439.db2.gz DABQWFKGXMXUEH-RYUDHWBXSA-N 1 0 347.375 1.536 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000575746158 447888348 /nfs/dbraw/zinc/88/83/48/447888348.db2.gz YCGPRRGMXPHIOH-MFKMUULPSA-N 1 0 333.344 1.190 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000523542822 447891418 /nfs/dbraw/zinc/89/14/18/447891418.db2.gz LJBRRRPJJXMFOS-UHFFFAOYSA-N 1 0 343.387 1.920 20 5 EDBDRO COc1ccc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000575981805 447941951 /nfs/dbraw/zinc/94/19/51/447941951.db2.gz YVLWNDRMABSQMF-ZDUSSCGKSA-N 1 0 338.339 1.132 20 5 EDBDRO CNc1nccc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000553073087 447972031 /nfs/dbraw/zinc/97/20/31/447972031.db2.gz ZOODPRLTZACALT-GFCCVEGCSA-N 1 0 335.408 1.882 20 5 EDBDRO C[C@@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000491874467 448141576 /nfs/dbraw/zinc/14/15/76/448141576.db2.gz VXKMALQKODRMNZ-PODYEWJSSA-N 1 0 332.404 1.360 20 5 EDBDRO CCCC[NH+]1CCC(NC(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000557576181 448186872 /nfs/dbraw/zinc/18/68/72/448186872.db2.gz JOZSHFXPLLPYRQ-UHFFFAOYSA-N 1 0 335.408 2.026 20 5 EDBDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cn3C)C2)CC1 ZINC000532089103 448199414 /nfs/dbraw/zinc/19/94/14/448199414.db2.gz ZBTMLIJDDFGMJN-CQSZACIVSA-N 1 0 349.435 1.174 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[C@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC000591448951 448366720 /nfs/dbraw/zinc/36/67/20/448366720.db2.gz SCNHRPHKIYJHDN-DOMZBBRYSA-N 1 0 348.403 1.616 20 5 EDBDRO O=C1[C@H](N2CC[C@H]3CC[NH2+][C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000591449318 448368335 /nfs/dbraw/zinc/36/83/35/448368335.db2.gz VCNLSDPIFKAFTI-DAXOMENPSA-N 1 0 330.388 1.384 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000591560834 448391315 /nfs/dbraw/zinc/39/13/15/448391315.db2.gz HJVHPIRCFSCENI-UHFFFAOYSA-N 1 0 325.390 1.420 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])Cc1ccccc1 ZINC000584061117 448469855 /nfs/dbraw/zinc/46/98/55/448469855.db2.gz AYKUMULIROWBIV-ZDUSSCGKSA-N 1 0 343.387 1.475 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000533805950 448423235 /nfs/dbraw/zinc/42/32/35/448423235.db2.gz CHQVCCPNNVYEOW-AWEZNQCLSA-N 1 0 348.403 1.383 20 5 EDBDRO COc1cccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000591728900 448474706 /nfs/dbraw/zinc/47/47/06/448474706.db2.gz WCKGTBXIFUUIKY-AWEZNQCLSA-N 1 0 333.344 1.528 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(c3ccccc3)CCC2)c1 ZINC000578499447 448560829 /nfs/dbraw/zinc/56/08/29/448560829.db2.gz MRPLYNNAWLVMHO-MRXNPFEDSA-N 1 0 330.388 1.864 20 5 EDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000591985429 448611248 /nfs/dbraw/zinc/61/12/48/448611248.db2.gz NGNKFSAMAKMZEQ-SECBINFHSA-N 1 0 327.772 1.199 20 5 EDBDRO COc1cc(CCNC(=O)[C@H]2[NH2+]CC2(C)C)c([N+](=O)[O-])cc1OC ZINC000591938932 448591135 /nfs/dbraw/zinc/59/11/35/448591135.db2.gz LXXZCBVXIUYXRE-CQSZACIVSA-N 1 0 337.376 1.269 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CCN(CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000592052894 448650647 /nfs/dbraw/zinc/65/06/47/448650647.db2.gz PZGBYLHMJXQCLO-GFCCVEGCSA-N 1 0 341.433 1.872 20 5 EDBDRO C[C@@H]1CC2(CN1S(=O)(=O)c1cccnc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000518755548 448705237 /nfs/dbraw/zinc/70/52/37/448705237.db2.gz GLKWYCCNPOGYCJ-LLVKDONJSA-N 1 0 340.405 1.143 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592256250 448764955 /nfs/dbraw/zinc/76/49/55/448764955.db2.gz WHKMNPXTQPZWLJ-HUUCEWRRSA-N 1 0 349.435 1.728 20 5 EDBDRO C[NH+]1CCC2(CC1)CN(CCOc1ccccc1[N+](=O)[O-])CCO2 ZINC000592182724 448725404 /nfs/dbraw/zinc/72/54/04/448725404.db2.gz QMFDRXZJGPVIDO-UHFFFAOYSA-N 1 0 335.404 1.770 20 5 EDBDRO O=C(CC[C@H]1CC[NH2+]C1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000567784214 448761037 /nfs/dbraw/zinc/76/10/37/448761037.db2.gz WEAVCBUFYKBXLW-NSHDSACASA-N 1 0 329.360 2.313 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592381953 448814985 /nfs/dbraw/zinc/81/49/85/448814985.db2.gz BOJMOWVZSWTYHH-GXSJLCMTSA-N 1 0 347.824 1.996 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000592372570 448810529 /nfs/dbraw/zinc/81/05/29/448810529.db2.gz MRZUSGOAOXWLSN-QWRGUYRKSA-N 1 0 343.405 1.399 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000592380371 448812792 /nfs/dbraw/zinc/81/27/92/448812792.db2.gz TUWMRZOQDVKUII-GFCCVEGCSA-N 1 0 327.406 1.522 20 5 EDBDRO Cc1nn(Cc2ccc(C(=O)NC[C@H](C)[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000592333018 448795268 /nfs/dbraw/zinc/79/52/68/448795268.db2.gz GVVRRMOLHDQXAE-JTQLQIEISA-N 1 0 331.376 1.533 20 5 EDBDRO C[C@H]([NH3+])CNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000592332965 448795837 /nfs/dbraw/zinc/79/58/37/448795837.db2.gz BSXDEAZYHHSPCE-LURJTMIESA-N 1 0 349.128 1.276 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[NH+]2CCC1CC2 ZINC000568681470 448905258 /nfs/dbraw/zinc/90/52/58/448905258.db2.gz IIYASUFXIQQFGD-UHFFFAOYSA-N 1 0 333.344 1.286 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccn([C@@H]3CC[NH2+]C3)n2)c1 ZINC000568741819 448912803 /nfs/dbraw/zinc/91/28/03/448912803.db2.gz IOXOLEOFVHACAG-LLVKDONJSA-N 1 0 345.359 1.977 20 5 EDBDRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000588830149 448936337 /nfs/dbraw/zinc/93/63/37/448936337.db2.gz GSKSVXZWPWYNAO-AWEZNQCLSA-N 1 0 338.795 1.368 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000521421788 448982189 /nfs/dbraw/zinc/98/21/89/448982189.db2.gz RUZPRJUMQTWNCK-UHFFFAOYSA-N 1 0 348.447 1.969 20 5 EDBDRO Cc1c(C(=O)N[C@H](C)C[C@@H](C)[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000521629376 449003600 /nfs/dbraw/zinc/00/36/00/449003600.db2.gz VWFQJGOVAKTQND-NXEZZACHSA-N 1 0 332.364 1.340 20 5 EDBDRO CCCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592832742 449009024 /nfs/dbraw/zinc/00/90/24/449009024.db2.gz VPOXWIUFVLUIBI-CQSZACIVSA-N 1 0 349.387 1.938 20 5 EDBDRO C[C@@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000592872336 449029334 /nfs/dbraw/zinc/02/93/34/449029334.db2.gz LVOBZQSKIXBUOC-OLZOCXBDSA-N 1 0 348.403 1.277 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000590337690 449134297 /nfs/dbraw/zinc/13/42/97/449134297.db2.gz MPHAFBDJZIYMRZ-MRXNPFEDSA-N 1 0 337.376 1.132 20 5 EDBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593583150 449089361 /nfs/dbraw/zinc/08/93/61/449089361.db2.gz ZLPZJXRJFDJNFM-NEPJUHHUSA-N 1 0 342.421 1.389 20 5 EDBDRO CC1(C)CCC[N@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593588903 449093172 /nfs/dbraw/zinc/09/31/72/449093172.db2.gz PXDJCJFZLGILOK-UHFFFAOYSA-N 1 0 342.421 1.390 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000590012024 449096395 /nfs/dbraw/zinc/09/63/95/449096395.db2.gz OATXZNFWFANRCX-JSGCOSHPSA-N 1 0 329.360 1.781 20 5 EDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593596273 449096780 /nfs/dbraw/zinc/09/67/80/449096780.db2.gz ZVGPVCXEPHCPOJ-WCQYABFASA-N 1 0 340.405 1.237 20 5 EDBDRO C[C@@H]1CC[C@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C[NH2+]1 ZINC000599932951 449113658 /nfs/dbraw/zinc/11/36/58/449113658.db2.gz FWAKNOFKFOZAIQ-NEPJUHHUSA-N 1 0 336.396 1.278 20 5 EDBDRO [NH3+]C1(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCOCC1 ZINC000599931567 449113752 /nfs/dbraw/zinc/11/37/52/449113752.db2.gz XWIQZNAXMIRWOK-UHFFFAOYSA-N 1 0 348.403 1.777 20 5 EDBDRO CC[N@@H+]1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611092272 449167236 /nfs/dbraw/zinc/16/72/36/449167236.db2.gz MXZHLEDWCIPRKP-LBPRGKRZSA-N 1 0 336.392 1.568 20 5 EDBDRO CC[N@@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000611092307 449167367 /nfs/dbraw/zinc/16/73/67/449167367.db2.gz OVEYYMUKKVIKFQ-GFCCVEGCSA-N 1 0 336.392 1.568 20 5 EDBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593132447 449147779 /nfs/dbraw/zinc/14/77/79/449147779.db2.gz WMQBIVMTQXRFOS-UONOGXRCSA-N 1 0 347.371 1.325 20 5 EDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC[C@]1(O)CCCOC1)OCCO2 ZINC000593691419 449149446 /nfs/dbraw/zinc/14/94/46/449149446.db2.gz ZLROPHIEVNDHCG-MRXNPFEDSA-N 1 0 338.360 1.387 20 5 EDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000590402729 449150063 /nfs/dbraw/zinc/15/00/63/449150063.db2.gz FDDCGNIDCYFHEI-ABAIWWIYSA-N 1 0 344.375 1.340 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000595808836 449179730 /nfs/dbraw/zinc/17/97/30/449179730.db2.gz XUWFPUVHJJWRBN-ZDUSSCGKSA-N 1 0 335.408 1.790 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590589728 449204453 /nfs/dbraw/zinc/20/44/53/449204453.db2.gz NCPWMDKOABUFPY-LLVKDONJSA-N 1 0 345.396 1.805 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2CCc3nc[nH]c3C2)c([N+](=O)[O-])c1 ZINC000590598839 449212146 /nfs/dbraw/zinc/21/21/46/449212146.db2.gz CBUYBAVFGRKZEB-UHFFFAOYSA-N 1 0 345.359 1.713 20 5 EDBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c([N+](=O)[O-])cc1F ZINC000590632605 449229089 /nfs/dbraw/zinc/22/90/89/449229089.db2.gz JXKCQKPQEJXDHZ-NSHDSACASA-N 1 0 337.351 1.957 20 5 EDBDRO COc1ccc(C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000604511222 449241669 /nfs/dbraw/zinc/24/16/69/449241669.db2.gz HKZCHIQQJJBRSX-UHFFFAOYSA-N 1 0 333.348 1.614 20 5 EDBDRO Cc1cc(=O)n(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000601955009 449243297 /nfs/dbraw/zinc/24/32/97/449243297.db2.gz LHLMGJWQRGBIOX-GOSISDBHSA-N 1 0 343.383 1.702 20 5 EDBDRO O=C(NCC12CC(C1)C[NH2+]2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000595946932 449273335 /nfs/dbraw/zinc/27/33/35/449273335.db2.gz DLYQIBFZGUIZFA-UHFFFAOYSA-N 1 0 327.344 1.262 20 5 EDBDRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000595946231 449273447 /nfs/dbraw/zinc/27/34/47/449273447.db2.gz BXAITNYWDPAVGK-UHFFFAOYSA-N 1 0 348.403 1.315 20 5 EDBDRO CN1CCCC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000601970941 449252909 /nfs/dbraw/zinc/25/29/09/449252909.db2.gz RFRIQSACJPQYRN-OAHLLOKOSA-N 1 0 348.403 1.866 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N(C)[C@H](C)C[NH3+])c1 ZINC000593902626 449273813 /nfs/dbraw/zinc/27/38/13/449273813.db2.gz CTCXCMRFSFCAOZ-GFCCVEGCSA-N 1 0 331.376 1.567 20 5 EDBDRO C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000611335582 449265606 /nfs/dbraw/zinc/26/56/06/449265606.db2.gz RDGLHOVGWJDRSV-GFCCVEGCSA-N 1 0 327.406 1.671 20 5 EDBDRO Cc1ccc(NCCCNC(=O)[C@H]2CCO[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000595939094 449268027 /nfs/dbraw/zinc/26/80/27/449268027.db2.gz VIWZRZWZYQEZJT-SWLSCSKDSA-N 1 0 336.392 1.185 20 5 EDBDRO O=C(NCCC1CC[NH2+]CC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000593919461 449287700 /nfs/dbraw/zinc/28/77/00/449287700.db2.gz SHDUSGUFMDRFQL-UHFFFAOYSA-N 1 0 335.360 1.486 20 5 EDBDRO COc1ccc(CSCC(=O)N[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595993609 449301701 /nfs/dbraw/zinc/30/17/01/449301701.db2.gz YIHYPDSNAREPFJ-OAHLLOKOSA-N 1 0 339.417 1.705 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N(C)[C@@H]2CC[NH2+]C2)c1 ZINC000593904242 449275750 /nfs/dbraw/zinc/27/57/50/449275750.db2.gz PSBRAVWDLYDPPP-OAHLLOKOSA-N 1 0 343.387 1.582 20 5 EDBDRO CC(C)[C@H]([NH3+])CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595950739 449277110 /nfs/dbraw/zinc/27/71/10/449277110.db2.gz LDQCCLHPAXHUEP-CQSZACIVSA-N 1 0 336.392 1.204 20 5 EDBDRO O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000593907931 449278913 /nfs/dbraw/zinc/27/89/13/449278913.db2.gz WBLIYWKUXOPDAZ-GHMZBOCLSA-N 1 0 344.293 1.272 20 5 EDBDRO [NH3+]C1(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCCC1 ZINC000595960797 449283770 /nfs/dbraw/zinc/28/37/70/449283770.db2.gz LAEJCPHMMUXMKH-UHFFFAOYSA-N 1 0 329.360 1.782 20 5 EDBDRO NS(=O)(=O)c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000596083172 449355089 /nfs/dbraw/zinc/35/50/89/449355089.db2.gz QBVMVFMODRKIIC-VXGBXAGGSA-N 1 0 340.405 1.281 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000598343121 449358276 /nfs/dbraw/zinc/35/82/76/449358276.db2.gz SWMJIAGHQBCAMM-LLVKDONJSA-N 1 0 335.360 1.580 20 5 EDBDRO CC[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000598536663 449452801 /nfs/dbraw/zinc/45/28/01/449452801.db2.gz VRXJWGQBLOSFSO-GXTWGEPZSA-N 1 0 343.387 1.993 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000596249946 449439984 /nfs/dbraw/zinc/43/99/84/449439984.db2.gz DHDZWBWCZNHEEP-UHFFFAOYSA-N 1 0 325.413 1.449 20 5 EDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598665235 449526935 /nfs/dbraw/zinc/52/69/35/449526935.db2.gz NHXJHWKDFVRFLA-LBPRGKRZSA-N 1 0 349.391 1.304 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598665149 449526966 /nfs/dbraw/zinc/52/69/66/449526966.db2.gz SQTMRILPFLOIJO-NEPJUHHUSA-N 1 0 349.391 1.302 20 5 EDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000598669377 449531069 /nfs/dbraw/zinc/53/10/69/449531069.db2.gz IPHISFBJELXTMB-QFYYESIMSA-N 1 0 333.344 1.319 20 5 EDBDRO [NH3+][C@@]12CCC[C@@H]1CN(CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)C2 ZINC000598682144 449538959 /nfs/dbraw/zinc/53/89/59/449538959.db2.gz MEXIJSAEAIESBC-CXAGYDPISA-N 1 0 330.388 1.297 20 5 EDBDRO [NH3+][C@@]12CCC[C@H]1CN(Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000598681538 449539353 /nfs/dbraw/zinc/53/93/53/449539353.db2.gz GRLAXNIQQMLCER-BLLLJJGKSA-N 1 0 329.360 1.958 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@H]1NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000600773464 449542280 /nfs/dbraw/zinc/54/22/80/449542280.db2.gz IHKYLKYAKMKJST-QWHCGFSZSA-N 1 0 337.376 1.377 20 5 EDBDRO O=C([C@H]1C[C@]12CCC[NH2+]C2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000594441224 449519643 /nfs/dbraw/zinc/51/96/43/449519643.db2.gz OYZZIXJZXALUKU-AEFFLSMTSA-N 1 0 344.415 1.633 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598713784 449558996 /nfs/dbraw/zinc/55/89/96/449558996.db2.gz DCENKEHNADLDAO-NEPJUHHUSA-N 1 0 327.406 1.617 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC(CC[NH3+])CC2)c(C)c1[N+](=O)[O-] ZINC000598719368 449562148 /nfs/dbraw/zinc/56/21/48/449562148.db2.gz GTHBZUZDUPAHBL-UHFFFAOYSA-N 1 0 341.433 1.961 20 5 EDBDRO O=C(c1ccc(NC2CC[NH2+]CC2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000600960770 449617593 /nfs/dbraw/zinc/61/75/93/449617593.db2.gz HLMDVCNRJBZCOL-UHFFFAOYSA-N 1 0 334.376 1.231 20 5 EDBDRO Cc1nn(CCC(=O)Nc2cc(N(C)C)cc[nH+]2)c(C)c1[N+](=O)[O-] ZINC000612345788 449652355 /nfs/dbraw/zinc/65/23/55/449652355.db2.gz MBBRPBYTUKMNBU-UHFFFAOYSA-N 1 0 332.364 1.898 20 5 EDBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594744756 449662205 /nfs/dbraw/zinc/66/22/05/449662205.db2.gz OJLFAIRIGOBCKY-UHFFFAOYSA-N 1 0 338.389 1.373 20 5 EDBDRO CN1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1=O ZINC000602553374 449669218 /nfs/dbraw/zinc/66/92/18/449669218.db2.gz SWPUGTJIFGRPPR-CYBMUJFWSA-N 1 0 333.392 1.169 20 5 EDBDRO C[C@@H](CC[S@](C)=O)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602571626 449680107 /nfs/dbraw/zinc/68/01/07/449680107.db2.gz WPBYCIFZBVPUCQ-MYODQAERSA-N 1 0 340.449 1.705 20 5 EDBDRO C[NH+]1CCC(CNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000598896642 449634017 /nfs/dbraw/zinc/63/40/17/449634017.db2.gz LMAPCJXGTZGBQI-UHFFFAOYSA-N 1 0 349.391 1.174 20 5 EDBDRO C[NH+](C)CC1(NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000598905087 449641608 /nfs/dbraw/zinc/64/16/08/449641608.db2.gz IZZMJSVNOUZYQX-UHFFFAOYSA-N 1 0 349.391 1.317 20 5 EDBDRO COC(=O)CCN1CC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000594715141 449643584 /nfs/dbraw/zinc/64/35/84/449643584.db2.gz OWARBCJBFDJSKE-BXUZGUMPSA-N 1 0 335.360 1.409 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000598914382 449644717 /nfs/dbraw/zinc/64/47/17/449644717.db2.gz BYEOQRJIRGABMM-DOMZBBRYSA-N 1 0 346.387 1.524 20 5 EDBDRO COCC[N@@H+]1CC[C@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601116888 449699844 /nfs/dbraw/zinc/69/98/44/449699844.db2.gz ZWIJFBCWLVGQPZ-QMMMGPOBSA-N 1 0 337.302 1.480 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000599107117 449739655 /nfs/dbraw/zinc/73/96/55/449739655.db2.gz ZJJGRQCNUMSSIX-VHSXEESVSA-N 1 0 329.378 1.022 20 5 EDBDRO CCN(C)C(=O)[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602645092 449726114 /nfs/dbraw/zinc/72/61/14/449726114.db2.gz OHOABKZVPJGJFX-LBPRGKRZSA-N 1 0 335.408 1.415 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1C ZINC000599102381 449732928 /nfs/dbraw/zinc/73/29/28/449732928.db2.gz DUVVNMSRHAFRAZ-NEPJUHHUSA-N 1 0 327.406 1.630 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c1[N+](=O)[O-] ZINC000599104733 449734975 /nfs/dbraw/zinc/73/49/75/449734975.db2.gz NLFJBOLUCNOEKS-RYUDHWBXSA-N 1 0 327.406 1.630 20 5 EDBDRO O=[N+]([O-])c1cccnc1S(=O)(=O)NCCCCC[NH+]1CCCC1 ZINC000594776875 449689410 /nfs/dbraw/zinc/68/94/10/449689410.db2.gz MOCHMSKPNPVVEX-UHFFFAOYSA-N 1 0 342.421 1.534 20 5 EDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000602597056 449695187 /nfs/dbraw/zinc/69/51/87/449695187.db2.gz TWSDVZJPPIDYAH-PSASIEDQSA-N 1 0 342.193 1.848 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000612580639 449784668 /nfs/dbraw/zinc/78/46/68/449784668.db2.gz OKLNHCMXCCODJZ-BLLLJJGKSA-N 1 0 343.387 1.920 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599107778 449739936 /nfs/dbraw/zinc/73/99/36/449739936.db2.gz VBEXKYJDPIYZLE-LBPRGKRZSA-N 1 0 341.389 1.166 20 5 EDBDRO CN1CC[NH+](CC2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)CC1 ZINC000599107589 449740622 /nfs/dbraw/zinc/74/06/22/449740622.db2.gz MDOOZYATFFDBBN-UHFFFAOYSA-N 1 0 330.392 1.155 20 5 EDBDRO Cn1cc(C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602699540 449756799 /nfs/dbraw/zinc/75/67/99/449756799.db2.gz XBEDMYCXZUXEQJ-AWEZNQCLSA-N 1 0 343.387 1.467 20 5 EDBDRO C[C@H](O)CN1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000601244050 449771234 /nfs/dbraw/zinc/77/12/34/449771234.db2.gz KYXNMKKLIUSUKS-MNOVXSKESA-N 1 0 325.340 1.261 20 5 EDBDRO Cc1cc(S(=O)(=O)NCCC[NH+]2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000601292505 449803416 /nfs/dbraw/zinc/80/34/16/449803416.db2.gz OTNGILVYTVJRJP-UHFFFAOYSA-N 1 0 345.396 1.807 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601334922 449843230 /nfs/dbraw/zinc/84/32/30/449843230.db2.gz OPFJUXFZVDDUPA-CJNGLKHVSA-N 1 0 332.404 1.916 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601351658 449865181 /nfs/dbraw/zinc/86/51/81/449865181.db2.gz LIEUKRTWPBOEOC-QWHCGFSZSA-N 1 0 339.417 1.666 20 5 EDBDRO CCN(C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000595104773 449871004 /nfs/dbraw/zinc/87/10/04/449871004.db2.gz UQBJVOJTEJLNEG-CYBMUJFWSA-N 1 0 334.376 1.394 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000595119356 449879957 /nfs/dbraw/zinc/87/99/57/449879957.db2.gz HOPWOUFTMVAOSR-VIFPVBQESA-N 1 0 331.419 1.609 20 5 EDBDRO C[N@@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC000602872277 449880874 /nfs/dbraw/zinc/88/08/74/449880874.db2.gz BQEUEJJHVPCBNX-HNNXBMFYSA-N 1 0 334.420 1.856 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC23CC(C2)C[NH2+]3)cc1C ZINC000595127875 449886719 /nfs/dbraw/zinc/88/67/19/449886719.db2.gz SMBSPVCLTIECRY-UHFFFAOYSA-N 1 0 325.390 1.242 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000602840154 449847935 /nfs/dbraw/zinc/84/79/35/449847935.db2.gz JMZPGCUYLLZTCL-UHFFFAOYSA-N 1 0 339.440 1.172 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601344140 449853327 /nfs/dbraw/zinc/85/33/27/449853327.db2.gz UOJKALYTOJHGTG-VHSXEESVSA-N 1 0 331.369 1.413 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC(C[NH+](C)C)C1 ZINC000601424123 449943514 /nfs/dbraw/zinc/94/35/14/449943514.db2.gz YSQVXZYGEYJTMK-UHFFFAOYSA-N 1 0 327.406 1.394 20 5 EDBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000601427503 449948460 /nfs/dbraw/zinc/94/84/60/449948460.db2.gz BANWJSGLFVJUCJ-UHFFFAOYSA-N 1 0 328.394 1.095 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(c3ccc(F)cn3)CC2)c1 ZINC000602905348 449910291 /nfs/dbraw/zinc/91/02/91/449910291.db2.gz RJJRSZLNLWASHJ-HNNXBMFYSA-N 1 0 349.366 1.566 20 5 EDBDRO COc1ccc(CC(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000609045878 449957607 /nfs/dbraw/zinc/95/76/07/449957607.db2.gz UNVFKEURXKZJGV-LBPRGKRZSA-N 1 0 335.404 1.992 20 5 EDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595231433 449961733 /nfs/dbraw/zinc/96/17/33/449961733.db2.gz UPHCHBPINSKLSK-CYBMUJFWSA-N 1 0 333.392 1.655 20 5 EDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595231434 449962262 /nfs/dbraw/zinc/96/22/62/449962262.db2.gz UPHCHBPINSKLSK-ZDUSSCGKSA-N 1 0 333.392 1.655 20 5 EDBDRO CC[N@@H+]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000601440380 449962771 /nfs/dbraw/zinc/96/27/71/449962771.db2.gz QJOGSNIPXWTBGV-ZDUSSCGKSA-N 1 0 341.433 1.841 20 5 EDBDRO [NH3+]CC12CC(C1)CN2C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595265052 449986433 /nfs/dbraw/zinc/98/64/33/449986433.db2.gz WVDNKOOXFKZTIH-UHFFFAOYSA-N 1 0 338.795 1.923 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000615187940 449995176 /nfs/dbraw/zinc/99/51/76/449995176.db2.gz TYGJKIGWEQDVQB-GFCCVEGCSA-N 1 0 348.403 1.688 20 5 EDBDRO CO[C@@H](C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@@H]1CCOC1 ZINC000595291981 450006427 /nfs/dbraw/zinc/00/64/27/450006427.db2.gz YYWBTCMYAQQLBH-PBHICJAKSA-N 1 0 335.404 1.768 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000595354034 450069506 /nfs/dbraw/zinc/06/95/06/450069506.db2.gz LIZRHSRSQKTSDT-GFCCVEGCSA-N 1 0 327.406 1.666 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000615297050 450052171 /nfs/dbraw/zinc/05/21/71/450052171.db2.gz NITSHTHJSQCRSS-CHWSQXEVSA-N 1 0 327.406 1.664 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000603081550 450054981 /nfs/dbraw/zinc/05/49/81/450054981.db2.gz BQZDHPAOPJNWGS-UHFFFAOYSA-N 1 0 344.375 1.559 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](c2ccccn2)C2CCC2)c1 ZINC000599574038 450076703 /nfs/dbraw/zinc/07/67/03/450076703.db2.gz MPTLASATLGCSOT-GDBMZVCRSA-N 1 0 331.376 1.678 20 5 EDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000599574889 450077132 /nfs/dbraw/zinc/07/71/32/450077132.db2.gz HARGNPOZFWRHIN-NSHDSACASA-N 1 0 344.375 1.683 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[NH2+][C@H](C(C)C)C2)c1C ZINC000595413450 450124828 /nfs/dbraw/zinc/12/48/28/450124828.db2.gz BYUYZRQHCBEMGL-AWEZNQCLSA-N 1 0 341.433 1.830 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[NH2+][C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000595414989 450127472 /nfs/dbraw/zinc/12/74/72/450127472.db2.gz PIWHRIUFUSOETK-ZDUSSCGKSA-N 1 0 327.406 1.522 20 5 EDBDRO CCC(O)(CC)C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000599678551 450147007 /nfs/dbraw/zinc/14/70/07/450147007.db2.gz DJUWXJONULDWMD-AWEZNQCLSA-N 1 0 326.393 1.817 20 5 EDBDRO COc1ccc([C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)cn1 ZINC000599701218 450164513 /nfs/dbraw/zinc/16/45/13/450164513.db2.gz RZDDEWDLFRLWSL-KRWDZBQOSA-N 1 0 344.371 1.901 20 5 EDBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610263704 450174857 /nfs/dbraw/zinc/17/48/57/450174857.db2.gz BFMZIDYPDWDPSY-LBPRGKRZSA-N 1 0 342.421 1.533 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCn2cncc2C1 ZINC000595487987 450179365 /nfs/dbraw/zinc/17/93/65/450179365.db2.gz AMUWRMSBRHAFGD-UHFFFAOYSA-N 1 0 345.359 1.644 20 5 EDBDRO COc1c(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000597695540 450202312 /nfs/dbraw/zinc/20/23/12/450202312.db2.gz UAIJQTIEVUYYPF-UKRRQHHQSA-N 1 0 349.387 1.539 20 5 EDBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)COc1ccccc1[N+](=O)[O-])C2 ZINC000597712920 450216318 /nfs/dbraw/zinc/21/63/18/450216318.db2.gz AFOYKOHBLCCYJN-QGZVFWFLSA-N 1 0 333.388 1.918 20 5 EDBDRO COCC1([NH2+]Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CCOCC1 ZINC000595500039 450187927 /nfs/dbraw/zinc/18/79/27/450187927.db2.gz PSHCHWRYKCRGET-UHFFFAOYSA-N 1 0 338.360 1.667 20 5 EDBDRO C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1[NH+]1CCOCC1 ZINC000618585101 450252916 /nfs/dbraw/zinc/25/29/16/450252916.db2.gz WYSOHFZHLCWQTL-IAQYHMDHSA-N 1 0 331.376 1.628 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CCC3(C[NH+](C)C3)C2)cc([N+](=O)[O-])c1 ZINC000618920876 450341709 /nfs/dbraw/zinc/34/17/09/450341709.db2.gz FJLVBKLXDDCJLR-UHFFFAOYSA-N 1 0 333.344 1.159 20 5 EDBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)C1 ZINC000618924248 450342850 /nfs/dbraw/zinc/34/28/50/450342850.db2.gz SETWJEQXTKIEFL-QGZVFWFLSA-N 1 0 346.387 1.605 20 5 EDBDRO COc1c(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000619439839 450473604 /nfs/dbraw/zinc/47/36/04/450473604.db2.gz PSCNZQCQZPKRJX-CYBMUJFWSA-N 1 0 349.387 1.587 20 5 EDBDRO C[S@](=O)C1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC000619552827 450505030 /nfs/dbraw/zinc/50/50/30/450505030.db2.gz QARRYOMVUONDND-QHCPKHFHSA-N 1 0 340.401 1.757 20 5 EDBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000237985089 491009785 /nfs/dbraw/zinc/00/97/85/491009785.db2.gz LXWNPVHEIBVITE-CYBMUJFWSA-N 1 0 329.360 1.652 20 5 EDBDRO COc1ccc(NC(=O)CN(C)CC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000186795889 534074752 /nfs/dbraw/zinc/07/47/52/534074752.db2.gz UBUYSEYWAINSDR-UHFFFAOYSA-N 1 0 336.392 1.568 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000086468648 518180158 /nfs/dbraw/zinc/18/01/58/518180158.db2.gz GGHLHSDMGZEDSO-BDAKNGLRSA-N 1 0 333.797 1.619 20 5 EDBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159369055 534714005 /nfs/dbraw/zinc/71/40/05/534714005.db2.gz FBLSTEVTVGJBDZ-KRWDZBQOSA-N 1 0 330.388 1.995 20 5 EDBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000184194725 534887982 /nfs/dbraw/zinc/88/79/82/534887982.db2.gz RXYKHSBBYWXBKB-GFCCVEGCSA-N 1 0 339.417 1.499 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000174463667 527814389 /nfs/dbraw/zinc/81/43/89/527814389.db2.gz YXXDLMKJXMBAOH-LBPRGKRZSA-N 1 0 349.387 1.795 20 5 EDBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000178934547 535342744 /nfs/dbraw/zinc/34/27/44/535342744.db2.gz YFBJRRNMXOKWLP-GFCCVEGCSA-N 1 0 327.406 1.666 20 5 EDBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000055237312 535459724 /nfs/dbraw/zinc/45/97/24/535459724.db2.gz WQYICIZIUYVIHF-UHFFFAOYSA-N 1 0 345.396 1.839 20 5 EDBDRO CCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000263683252 536007475 /nfs/dbraw/zinc/00/74/75/536007475.db2.gz HMUHRGMVYZKMNG-ZDUSSCGKSA-N 1 0 343.387 1.885 20 5 EDBDRO C[N@@H+]1CCC[C@]2(CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)C1 ZINC000339426953 536395589 /nfs/dbraw/zinc/39/55/89/536395589.db2.gz DEUUYEYLTICIAI-YJBOKZPZSA-N 1 0 349.431 1.752 20 5 EDBDRO C[NH2+][C@H]1CCCN([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000261735524 536414342 /nfs/dbraw/zinc/41/43/42/536414342.db2.gz JYZNLVAWONPHNG-RYUDHWBXSA-N 1 0 336.392 1.614 20 5 EDBDRO COc1cc(CCNC(=O)C[C@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000178349057 536737736 /nfs/dbraw/zinc/73/77/36/536737736.db2.gz ABRIIVLKRSVNTF-GFCCVEGCSA-N 1 0 337.376 1.413 20 5 EDBDRO Cc1c(NC(=O)C(=O)NCC[N@H+]2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000743978709 579496137 /nfs/dbraw/zinc/49/61/37/579496137.db2.gz NIEWXSUKZLOHFA-LLVKDONJSA-N 1 0 334.376 1.442 20 5 EDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000725897723 578302298 /nfs/dbraw/zinc/30/22/98/578302298.db2.gz UKAJCHVAJZRZMB-KBPBESRZSA-N 1 0 345.355 1.934 20 5 EDBDRO Cc1nn(CCC(=O)NC[C@@H](C)[NH+]2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000726527089 578347877 /nfs/dbraw/zinc/34/78/77/578347877.db2.gz GQLKSYOQGWWYJW-GFCCVEGCSA-N 1 0 337.424 1.789 20 5 EDBDRO CN(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732190485 578696325 /nfs/dbraw/zinc/69/63/25/578696325.db2.gz YZQYUNAVOAWIQG-MRXNPFEDSA-N 1 0 342.403 1.979 20 5 EDBDRO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CN1CC[NH+](C2CCC2)CC1 ZINC000733298979 578758433 /nfs/dbraw/zinc/75/84/33/578758433.db2.gz XTPWULDJHJLEAB-UHFFFAOYSA-N 1 0 344.371 1.318 20 5 EDBDRO CCC[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736479243 578992365 /nfs/dbraw/zinc/99/23/65/578992365.db2.gz FWJFXLPCILJOMX-UHFFFAOYSA-N 1 0 346.395 1.704 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(C(N)=O)CCCC1 ZINC000746472841 579596778 /nfs/dbraw/zinc/59/67/78/579596778.db2.gz PHIVANQYJFLWPT-UHFFFAOYSA-N 1 0 334.376 1.620 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000748843934 579703528 /nfs/dbraw/zinc/70/35/28/579703528.db2.gz JHRCEMRAYGXNLJ-LLVKDONJSA-N 1 0 336.348 1.963 20 5 EDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000765930638 580153928 /nfs/dbraw/zinc/15/39/28/580153928.db2.gz QFYYKMHREUUFQH-QWHCGFSZSA-N 1 0 345.403 1.886 20 5 EDBDRO C[N@H+](CCOC(=O)Cn1ccc([N+](=O)[O-])n1)Cc1ccc(F)cc1 ZINC000769090563 580228053 /nfs/dbraw/zinc/22/80/53/580228053.db2.gz OLBKEJBGLJQPGE-UHFFFAOYSA-N 1 0 336.323 1.606 20 5 EDBDRO Cn1cc([C@H](O)C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000774202579 580356630 /nfs/dbraw/zinc/35/66/30/580356630.db2.gz ATCDMXGUDXXIPU-MELADBBJSA-N 1 0 334.380 1.332 20 5 EDBDRO CC(C)[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000776273377 580413544 /nfs/dbraw/zinc/41/35/44/580413544.db2.gz AOPDILKVCMEUAY-IRXDYDNUSA-N 1 0 337.420 1.575 20 5 EDBDRO O=C1CCCN1C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776581705 580422096 /nfs/dbraw/zinc/42/20/96/580422096.db2.gz HXLLVKZKQGQXGW-MRXNPFEDSA-N 1 0 333.388 1.715 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000778290127 580461001 /nfs/dbraw/zinc/46/10/01/580461001.db2.gz RVMLZMVZTHWLCT-SCZZXKLOSA-N 1 0 335.389 1.812 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000781969131 580562064 /nfs/dbraw/zinc/56/20/64/580562064.db2.gz IAHQBNFYNJTWFS-BLLLJJGKSA-N 1 0 346.387 1.498 20 5 EDBDRO NC(=O)C1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCCC1 ZINC000782515978 580576671 /nfs/dbraw/zinc/57/66/71/580576671.db2.gz NVKKGGFENUFKOG-UHFFFAOYSA-N 1 0 338.339 1.450 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c([N+](=O)[O-])c1 ZINC000782635157 580581430 /nfs/dbraw/zinc/58/14/30/580581430.db2.gz UFLBYPZFNCBRMI-MEDUHNTESA-N 1 0 335.360 1.246 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000785801231 580653749 /nfs/dbraw/zinc/65/37/49/580653749.db2.gz QJVMBZSIXKDDAW-STQMWFEESA-N 1 0 334.376 1.230 20 5 EDBDRO Cc1nn(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000788383688 580720311 /nfs/dbraw/zinc/72/03/11/580720311.db2.gz MQDAQFGQLRYUFN-INIZCTEOSA-N 1 0 329.360 1.422 20 5 EDBDRO C[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788594663 580725382 /nfs/dbraw/zinc/72/53/82/580725382.db2.gz OJMAFTYJEWAOJX-JSGCOSHPSA-N 1 0 349.435 1.415 20 5 EDBDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796375436 580952510 /nfs/dbraw/zinc/95/25/10/580952510.db2.gz JBOGGBGCFIDAOF-KBRIMQKVSA-N 1 0 335.404 1.423 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801815681 581085504 /nfs/dbraw/zinc/08/55/04/581085504.db2.gz HWMHOZTUXFTIKI-UHFFFAOYSA-N 1 0 328.344 1.014 20 5 EDBDRO C[C@H](COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2)[N+](=O)[O-] ZINC000893044829 590632617 /nfs/dbraw/zinc/63/26/17/590632617.db2.gz OMCCTLGALAXQPV-UWWQBHOKSA-N 1 0 348.399 1.734 20 5 EDBDRO CCC[NH+]1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1 ZINC000891480785 591086988 /nfs/dbraw/zinc/08/69/88/591086988.db2.gz TYNYZSGYQXJASA-UHFFFAOYSA-N 1 0 330.388 1.979 20 5 EDBDRO CC[C@H]1C[N@H+](C)CCN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000893991815 591157015 /nfs/dbraw/zinc/15/70/15/591157015.db2.gz FQLRKESWRQPGPG-LBPRGKRZSA-N 1 0 330.388 1.977 20 5 EDBDRO COc1c(O)ccc(C[NH2+]CCN2CCCOCC2)c1[N+](=O)[O-] ZINC000894470194 591320859 /nfs/dbraw/zinc/32/08/59/591320859.db2.gz FEXLUSZLYNJKQK-UHFFFAOYSA-N 1 0 325.365 1.121 20 5 EDBDRO C[NH+](C)CCCS(=O)(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000866948437 591383257 /nfs/dbraw/zinc/38/32/57/591383257.db2.gz IWXBCJZONGIZHG-UHFFFAOYSA-N 1 0 335.813 1.619 20 5 EDBDRO Cc1c(CC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000896554365 591519677 /nfs/dbraw/zinc/51/96/77/591519677.db2.gz WIBFKKYLOPFJMB-BBRMVZONSA-N 1 0 334.420 1.196 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC000895010200 591521224 /nfs/dbraw/zinc/52/12/24/591521224.db2.gz MROJXLAGLUAXED-INIZCTEOSA-N 1 0 334.351 1.785 20 5 EDBDRO Cn1c2ccccc2c(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1=O ZINC000895021578 591527585 /nfs/dbraw/zinc/52/75/85/591527585.db2.gz HJBRZWNWDAOBGA-GXTWGEPZSA-N 1 0 342.399 1.977 20 5 EDBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000895278193 591699053 /nfs/dbraw/zinc/69/90/53/591699053.db2.gz PYQFQBHTPACETM-LBPRGKRZSA-N 1 0 329.360 1.679 20 5 EDBDRO O=[N+]([O-])c1cc(CO)c(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1F ZINC000897219251 591773112 /nfs/dbraw/zinc/77/31/12/591773112.db2.gz JXOGDRFJRJVHJA-KBPBESRZSA-N 1 0 339.367 1.262 20 5 EDBDRO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000897231578 591779760 /nfs/dbraw/zinc/77/97/60/591779760.db2.gz IXDWKZCWVTUEAN-CQSZACIVSA-N 1 0 331.372 1.200 20 5 EDBDRO Cn1ccnc1[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000902463754 592000586 /nfs/dbraw/zinc/00/05/86/592000586.db2.gz BPFJWTSABZGKMF-LCGIIJARSA-N 1 0 327.388 1.900 20 5 EDBDRO Cc1cc(N2CCC[C@@]([NH3+])(CO)C2)c(Br)cc1[N+](=O)[O-] ZINC000900374731 592000809 /nfs/dbraw/zinc/00/08/09/592000809.db2.gz MGEKEWGCOOJPDA-ZDUSSCGKSA-N 1 0 344.209 1.956 20 5 EDBDRO Cn1ccnc1[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000902469089 592000998 /nfs/dbraw/zinc/00/09/98/592000998.db2.gz PGEJFMPGVYCAHE-LCGIIJARSA-N 1 0 327.388 1.900 20 5 EDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)n1cc(CNC2CC[NH+](C)CC2)nn1 ZINC000900515345 592042556 /nfs/dbraw/zinc/04/25/56/592042556.db2.gz ICVKOBHBPHWOLY-ZDUSSCGKSA-N 1 0 344.419 1.979 20 5 EDBDRO C/C(=C/C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000900801363 592142347 /nfs/dbraw/zinc/14/23/47/592142347.db2.gz CSEYHKUDHAARIO-JAVQZPJPSA-N 1 0 346.431 1.749 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCN(C[C@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000906675648 592256748 /nfs/dbraw/zinc/25/67/48/592256748.db2.gz JRGXPYPSCHOCQZ-QGZVFWFLSA-N 1 0 334.420 1.174 20 5 EDBDRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000901218408 592292412 /nfs/dbraw/zinc/29/24/12/592292412.db2.gz MCXSBXNJCGAHMB-KRWDZBQOSA-N 1 0 333.388 1.326 20 5 EDBDRO CN(CCc1cccc([N+](=O)[O-])c1)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903916300 592389215 /nfs/dbraw/zinc/38/92/15/592389215.db2.gz GSPYNYBNMRJROV-MRXNPFEDSA-N 1 0 344.419 1.785 20 5 EDBDRO COCC1(C[NH2+]CC[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 ZINC000905254641 592478624 /nfs/dbraw/zinc/47/86/24/592478624.db2.gz DXLLYENTGLFCCE-UHFFFAOYSA-N 1 0 331.413 1.516 20 5 EDBDRO C[C@@H]1C[C@]2(CC[C@H](C[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)O2)CO1 ZINC000905484137 592539373 /nfs/dbraw/zinc/53/93/73/592539373.db2.gz GNVWKVYDBFEQKV-BASLNEPJSA-N 1 0 336.388 1.944 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CC3(CCC3)CO2)c1 ZINC000905471600 592544746 /nfs/dbraw/zinc/54/47/46/592544746.db2.gz DLAZDYCBBQYYHF-GOEBONIOSA-N 1 0 336.388 1.883 20 5 EDBDRO CN(C)Cc1csc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000905528085 592562567 /nfs/dbraw/zinc/56/25/67/592562567.db2.gz DEMAGMZIXWDRTM-CQSZACIVSA-N 1 0 336.417 1.936 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCN2C2CCOCC2)c1 ZINC000905618220 592595447 /nfs/dbraw/zinc/59/54/47/592595447.db2.gz HLFIAXOZSSRVBN-IRXDYDNUSA-N 1 0 335.404 1.471 20 5 EDBDRO C[NH+]1CCC2(CCN2S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000907855377 592816143 /nfs/dbraw/zinc/81/61/43/592816143.db2.gz KLOMAEGAZKJELF-UHFFFAOYSA-N 1 0 339.417 1.595 20 5 EDBDRO COc1cc(CN[C@H]2C[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000906517823 592839080 /nfs/dbraw/zinc/83/90/80/592839080.db2.gz SWLWJQKQCDOTST-MGCOHNPYSA-N 1 0 331.319 1.827 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC1 ZINC000910929981 592901874 /nfs/dbraw/zinc/90/18/74/592901874.db2.gz DYCWBHQTKAJRJS-UHFFFAOYSA-N 1 0 335.360 1.580 20 5 EDBDRO CN(C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)C1CC[NH2+]CC1 ZINC000911692744 592983207 /nfs/dbraw/zinc/98/32/07/592983207.db2.gz VWZZRFYVSCPOBD-UHFFFAOYSA-N 1 0 343.387 1.664 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000911773677 593002258 /nfs/dbraw/zinc/00/22/58/593002258.db2.gz GMMKRAYGDUWAET-NHYWBVRUSA-N 1 0 332.360 1.156 20 5 EDBDRO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911855036 593027673 /nfs/dbraw/zinc/02/76/73/593027673.db2.gz DFMNOWBELBKELK-WQGACYEGSA-N 1 0 344.371 1.441 20 5 EDBDRO CS[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000867020293 593182490 /nfs/dbraw/zinc/18/24/90/593182490.db2.gz GXNGCKDQOWXMSP-QWHCGFSZSA-N 1 0 341.408 1.780 20 5 EDBDRO CC[N@H+](C[C@H]1CCOC1)CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839997572 593321405 /nfs/dbraw/zinc/32/14/05/593321405.db2.gz FGXIOHGIRAQZES-DYVFJYSZSA-N 1 0 349.387 1.848 20 5 EDBDRO COC(=O)C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000754539050 593330788 /nfs/dbraw/zinc/33/07/88/593330788.db2.gz LVJKJJMUTJZBMV-CYBMUJFWSA-N 1 0 335.360 1.855 20 5 EDBDRO CC[N@@H+]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000804380492 593410114 /nfs/dbraw/zinc/41/01/14/593410114.db2.gz WHUBQZOCKBEBMZ-GFCCVEGCSA-N 1 0 331.376 1.497 20 5 EDBDRO C[C@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[N@@H+]1C1CC1 ZINC000811811694 593483260 /nfs/dbraw/zinc/48/32/60/593483260.db2.gz DEJMIVYBHGSPCO-UWVGGRQHSA-N 1 0 332.360 1.963 20 5 EDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000817679596 593623139 /nfs/dbraw/zinc/62/31/39/593623139.db2.gz UPAJJDXOBHLJRY-JTQLQIEISA-N 1 0 335.389 1.766 20 5 EDBDRO COCCOc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000818962247 593730476 /nfs/dbraw/zinc/73/04/76/593730476.db2.gz ZIKFCQVQECOCAA-INIZCTEOSA-N 1 0 347.371 1.838 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CSCCS2)c1 ZINC000819142688 593741103 /nfs/dbraw/zinc/74/11/03/593741103.db2.gz SZYOPHFJJLUKIH-TZMCWYRMSA-N 1 0 344.458 1.773 20 5 EDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000820504142 593824679 /nfs/dbraw/zinc/82/46/79/593824679.db2.gz QLDBFWPPOIHCDJ-DJSGYFEHSA-N 1 0 346.387 1.639 20 5 EDBDRO CC[N@@H+]1CCC[C@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821253884 593998202 /nfs/dbraw/zinc/99/82/02/593998202.db2.gz ITNCCQATSUOLRG-SNVBAGLBSA-N 1 0 332.368 1.314 20 5 EDBDRO CC(C)[N@H+](C)C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000821342046 594022580 /nfs/dbraw/zinc/02/25/80/594022580.db2.gz JNEQYCRSYYFWQF-QGZVFWFLSA-N 1 0 336.436 1.418 20 5 EDBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NC[C@H](C)[NH+](C)C ZINC000822456742 594051559 /nfs/dbraw/zinc/05/15/59/594051559.db2.gz CJLIVWYKVZOZNC-QMMMGPOBSA-N 1 0 342.783 1.887 20 5 EDBDRO [NH3+]CC1(Cc2nc(-c3ccc(-n4cncn4)c([N+](=O)[O-])c3)no2)CC1 ZINC000823260578 594177155 /nfs/dbraw/zinc/17/71/55/594177155.db2.gz XVOSFLBXERVXFB-UHFFFAOYSA-N 1 0 341.331 1.507 20 5 EDBDRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C2)CC1 ZINC000823282415 594179898 /nfs/dbraw/zinc/17/98/98/594179898.db2.gz PFWPMNJORFAENN-CYBMUJFWSA-N 1 0 326.441 1.107 20 5 EDBDRO C[C@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000825466928 594189733 /nfs/dbraw/zinc/18/97/33/594189733.db2.gz KGPMCCFFIRMPRE-CJNGLKHVSA-N 1 0 335.404 1.865 20 5 EDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000823619800 594221937 /nfs/dbraw/zinc/22/19/37/594221937.db2.gz BFMLJEJBUBVPIP-NSHDSACASA-N 1 0 344.379 1.235 20 5 EDBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc([N+](=O)[O-])ccc1F ZINC000828149206 594351789 /nfs/dbraw/zinc/35/17/89/594351789.db2.gz FZFMGEMQDFRIQH-UHFFFAOYSA-N 1 0 325.340 1.311 20 5 EDBDRO C[NH+](C)CC1(O)CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000828195950 594363082 /nfs/dbraw/zinc/36/30/82/594363082.db2.gz LXFOKUXXPPWIEF-CVEARBPZSA-N 1 0 347.415 1.613 20 5 EDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826938167 594605651 /nfs/dbraw/zinc/60/56/51/594605651.db2.gz RXXVXCCRDQRDFO-VNQPRFMTSA-N 1 0 333.388 1.713 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])CC[C@H]21 ZINC000827321850 594661020 /nfs/dbraw/zinc/66/10/20/594661020.db2.gz WKNNWQRMANVZHA-UONOGXRCSA-N 1 0 347.371 1.339 20 5 EDBDRO CCO[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000831719380 594695895 /nfs/dbraw/zinc/69/58/95/594695895.db2.gz RLBXLZZNOVAZBC-CYBMUJFWSA-N 1 0 337.420 1.955 20 5 EDBDRO Cc1cc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000831727176 594696808 /nfs/dbraw/zinc/69/68/08/594696808.db2.gz KBAPYZYBWKWBFT-STQMWFEESA-N 1 0 332.404 1.947 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@@H]21 ZINC000831728993 594696848 /nfs/dbraw/zinc/69/68/48/594696848.db2.gz MCDMVKDJZNECJB-ABAIWWIYSA-N 1 0 336.367 1.698 20 5 EDBDRO C[NH+]1CCN(C[C@H](O)COc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000840753936 594814687 /nfs/dbraw/zinc/81/46/87/594814687.db2.gz ADOFXVIGNWTIDN-LBPRGKRZSA-N 1 0 329.784 1.235 20 5 EDBDRO C[C@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000833426856 594846421 /nfs/dbraw/zinc/84/64/21/594846421.db2.gz RNZFHSFXYDMLLW-CXAGYDPISA-N 1 0 347.415 1.961 20 5 EDBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C1 ZINC000841160331 594860557 /nfs/dbraw/zinc/86/05/57/594860557.db2.gz CDFUQTZPTLIEBI-QMMMGPOBSA-N 1 0 329.154 1.841 20 5 EDBDRO C/C(=C\C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000836866840 595007752 /nfs/dbraw/zinc/00/77/52/595007752.db2.gz FFLOHPQODXIHIV-JBBMIMBXSA-N 1 0 347.415 1.912 20 5 EDBDRO C[NH2+]CCCc1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1 ZINC000843224971 595043380 /nfs/dbraw/zinc/04/33/80/595043380.db2.gz DHULGVWJBRZJEX-UHFFFAOYSA-N 1 0 336.348 1.738 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000843355891 595085681 /nfs/dbraw/zinc/08/56/81/595085681.db2.gz LNLBMSICBJNTAM-HZMBPMFUSA-N 1 0 340.355 1.111 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000842480065 595116327 /nfs/dbraw/zinc/11/63/27/595116327.db2.gz OKAZUDKWNAFUPN-ZJUUUORDSA-N 1 0 347.824 1.962 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000842789827 595200100 /nfs/dbraw/zinc/20/01/00/595200100.db2.gz ZCNXORLYBHGXBP-VHSXEESVSA-N 1 0 347.824 1.914 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000842836318 595212751 /nfs/dbraw/zinc/21/27/51/595212751.db2.gz QVEAQLUVIAMMHR-ZJUUUORDSA-N 1 0 347.824 1.928 20 5 EDBDRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843122469 595292694 /nfs/dbraw/zinc/29/26/94/595292694.db2.gz DAOIRSOYHHBKCX-CYBMUJFWSA-N 1 0 327.768 1.585 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846689129 595302360 /nfs/dbraw/zinc/30/23/60/595302360.db2.gz YOKAXSIPPPMUKS-OZVIIMIRSA-N 1 0 348.403 1.536 20 5 EDBDRO [NH2+]=C(NCc1cccc([N+](=O)[O-])c1)N1CCN(c2ncccn2)CC1 ZINC000849071397 595477851 /nfs/dbraw/zinc/47/78/51/595477851.db2.gz QITSJQLJUKTVTD-UHFFFAOYSA-N 1 0 341.375 1.231 20 5 EDBDRO C[N@@H+]1CC[C@@H](CCOC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000847826661 595489179 /nfs/dbraw/zinc/48/91/79/595489179.db2.gz IGWNQFCTAXQTBN-LBPRGKRZSA-N 1 0 345.359 1.674 20 5 EDBDRO CS(=O)(=O)CC1(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000849327248 595506825 /nfs/dbraw/zinc/50/68/25/595506825.db2.gz JQJIARWBYQDFOF-CQSZACIVSA-N 1 0 342.417 1.433 20 5 EDBDRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1F ZINC000850593735 595543229 /nfs/dbraw/zinc/54/32/29/595543229.db2.gz ZEOOVPAWNDNTAO-RKDXNWHRSA-N 1 0 337.760 1.308 20 5 EDBDRO [NH3+]C1(CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000857766016 595600864 /nfs/dbraw/zinc/60/08/64/595600864.db2.gz XBHYQBZFMMQJFD-UHFFFAOYSA-N 1 0 329.303 1.954 20 5 EDBDRO CN(Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000853496376 595768461 /nfs/dbraw/zinc/76/84/61/595768461.db2.gz QZMAUODTSFLLHT-AWEZNQCLSA-N 1 0 342.403 1.979 20 5 EDBDRO CN(CC1C[NH+](C)C1)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000855638823 595775748 /nfs/dbraw/zinc/77/57/48/595775748.db2.gz USJLRMCOAYZXSO-OAHLLOKOSA-N 1 0 332.360 1.108 20 5 EDBDRO CN(CC1C[NH+](C)C1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000855640749 595777203 /nfs/dbraw/zinc/77/72/03/595777203.db2.gz DGQDRQYCXCIVLN-UHFFFAOYSA-N 1 0 329.759 1.950 20 5 EDBDRO Cc1nn(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000853559846 595804523 /nfs/dbraw/zinc/80/45/23/595804523.db2.gz VHKUPWQLZZQYPD-IUODEOHRSA-N 1 0 343.387 1.811 20 5 EDBDRO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000853589073 595817619 /nfs/dbraw/zinc/81/76/19/595817619.db2.gz KYDABVCYBOATLZ-INMHGKMJSA-N 1 0 345.399 1.837 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cn(CC[NH3+])nn1 ZINC000851628563 595860545 /nfs/dbraw/zinc/86/05/45/595860545.db2.gz HTDWVQNMFWTUAW-UHFFFAOYSA-N 1 0 338.755 1.071 20 5 EDBDRO CO[C@@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCOC1 ZINC000851714157 595894494 /nfs/dbraw/zinc/89/44/94/595894494.db2.gz FILOINGUYBOYNH-YOEHRIQHSA-N 1 0 335.404 1.768 20 5 EDBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861712712 596077281 /nfs/dbraw/zinc/07/72/81/596077281.db2.gz SFKUVQISZBZIMF-QWRGUYRKSA-N 1 0 339.779 1.529 20 5 EDBDRO C[NH+](C)CC1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000854721639 596174162 /nfs/dbraw/zinc/17/41/62/596174162.db2.gz ICKUNRJVZPRWPU-UHFFFAOYSA-N 1 0 329.759 1.950 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)c(C)c1[N+](=O)[O-] ZINC000857232690 596193883 /nfs/dbraw/zinc/19/38/83/596193883.db2.gz IYSIUEYGJDHENI-NSHDSACASA-N 1 0 349.359 1.487 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)c([N+](=O)[O-])s1 ZINC000866772747 596336288 /nfs/dbraw/zinc/33/62/88/596336288.db2.gz YQOBQIGKYSFXIE-GFCCVEGCSA-N 1 0 331.419 1.481 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000866822160 596365228 /nfs/dbraw/zinc/36/52/28/596365228.db2.gz AFURQTFEOHXAHZ-CHWSQXEVSA-N 1 0 339.417 1.727 20 5 EDBDRO C[C@](N)(C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000870884534 596389160 /nfs/dbraw/zinc/38/91/60/596389160.db2.gz ZPURIPAFYAVGPD-FUHWJXTLSA-N 1 0 346.431 1.856 20 5 EDBDRO C[NH+](C)CCN1CCC(Nc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865441368 596576397 /nfs/dbraw/zinc/57/63/97/596576397.db2.gz PRLPTLXFBAYLGR-UHFFFAOYSA-N 1 0 340.399 1.664 20 5 EDBDRO C[NH+](C)C1(CN2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CCC1 ZINC000863504785 596603458 /nfs/dbraw/zinc/60/34/58/596603458.db2.gz CFWNJEORJZFLCL-INIZCTEOSA-N 1 0 346.387 1.846 20 5 EDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000869777238 596628187 /nfs/dbraw/zinc/62/81/87/596628187.db2.gz CDLZWGZVBGULRD-ZDUSSCGKSA-N 1 0 349.431 1.834 20 5 EDBDRO CC[NH2+][C@@H](C)c1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000863675043 596654786 /nfs/dbraw/zinc/65/47/86/596654786.db2.gz NRGFECFYNBOAQG-VIFPVBQESA-N 1 0 329.320 1.896 20 5 EDBDRO CC[NH+]1CCN(CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000865792173 596684971 /nfs/dbraw/zinc/68/49/71/596684971.db2.gz QVISMTINLSFHEB-UHFFFAOYSA-N 1 0 338.383 1.030 20 5 EDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)cs1 ZINC000119700014 596710576 /nfs/dbraw/zinc/71/05/76/596710576.db2.gz GGAKCOJEXUMLGJ-JTQLQIEISA-N 1 0 331.419 1.515 20 5 EDBDRO O=[N+]([O-])c1cc(CO)c(N2CCC([NH+]3CCOCC3)CC2)cc1F ZINC000865946232 596733167 /nfs/dbraw/zinc/73/31/67/596733167.db2.gz JJMIPSCJCCHBJV-UHFFFAOYSA-N 1 0 339.367 1.527 20 5 EDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CCC(O)CC1 ZINC000866369106 596868147 /nfs/dbraw/zinc/86/81/47/596868147.db2.gz AOHVFQJGLNDXBA-LBPRGKRZSA-N 1 0 325.384 1.711 20 5 EDBDRO CC[NH+]1CCN(CCCNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000874007551 596896648 /nfs/dbraw/zinc/89/66/48/596896648.db2.gz CSLLLSQQXPNRMW-UHFFFAOYSA-N 1 0 348.447 1.969 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)cccc1[N+](=O)[O-] ZINC000874094944 596925377 /nfs/dbraw/zinc/92/53/77/596925377.db2.gz KHHJWAHRUYLFEY-UHFFFAOYSA-N 1 0 348.403 1.784 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000872664681 597019958 /nfs/dbraw/zinc/01/99/58/597019958.db2.gz NVSZEAOGAJGWPS-LSDHHAIUSA-N 1 0 339.417 1.593 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000876171716 597119821 /nfs/dbraw/zinc/11/98/21/597119821.db2.gz NWAAWNFPYSLGDW-UHFFFAOYSA-N 1 0 338.408 1.623 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000873100983 597194895 /nfs/dbraw/zinc/19/48/95/597194895.db2.gz KVZUVXGYGQARBX-XJKSGUPXSA-N 1 0 335.404 1.937 20 5 EDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000874842088 597194908 /nfs/dbraw/zinc/19/49/08/597194908.db2.gz GGSYZYFBZYWJEZ-GJZGRUSLSA-N 1 0 343.387 1.640 20 5 EDBDRO [NH3+]C[C@@H]1[C@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1(F)F ZINC000876553093 597237320 /nfs/dbraw/zinc/23/73/20/597237320.db2.gz KJEHEHRHJZJFOK-ZWNOBZJWSA-N 1 0 340.330 1.083 20 5 EDBDRO CC(C)CN1CCO[C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000876880673 597367995 /nfs/dbraw/zinc/36/79/95/597367995.db2.gz LSJJCBBHODARGL-ZBCRRDGASA-N 1 0 337.424 1.441 20 5 EDBDRO O=C(N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876895688 597375213 /nfs/dbraw/zinc/37/52/13/597375213.db2.gz IIWDOESDQXHFHQ-CJNGLKHVSA-N 1 0 333.392 1.487 20 5 EDBDRO COC(=O)C1CC([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000877723688 597551311 /nfs/dbraw/zinc/55/13/11/597551311.db2.gz OUBKPBBGLPXLCH-UHFFFAOYSA-N 1 0 334.376 1.500 20 5 EDBDRO CCOC(=O)N(C)C1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000878038402 597571330 /nfs/dbraw/zinc/57/13/30/597571330.db2.gz JSESOKJNXIBGNH-UHFFFAOYSA-N 1 0 339.396 1.652 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000878099955 597578192 /nfs/dbraw/zinc/57/81/92/597578192.db2.gz ITZYTZUYQMGDSS-CQSZACIVSA-N 1 0 335.408 1.577 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879574227 597637601 /nfs/dbraw/zinc/63/76/01/597637601.db2.gz BKOFTIPCXYRTER-BBRMVZONSA-N 1 0 332.404 1.868 20 5 EDBDRO CC(C)(O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000879963735 597786475 /nfs/dbraw/zinc/78/64/75/597786475.db2.gz NNIMSUNHPOTGDG-KGLIPLIRSA-N 1 0 338.404 1.817 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000132300237 597822789 /nfs/dbraw/zinc/82/27/89/597822789.db2.gz ZHRXPQKFKMAXPA-IUCAKERBSA-N 1 0 333.797 1.606 20 5 EDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](CO)c1ccccc1 ZINC000880461572 597939094 /nfs/dbraw/zinc/93/90/94/597939094.db2.gz ISRAKVLAHNHUMF-MRXNPFEDSA-N 1 0 331.372 1.812 20 5 EDBDRO NC(=O)C1([NH+]2CCCCC2)CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000882815819 598069311 /nfs/dbraw/zinc/06/93/11/598069311.db2.gz QZQXBWFEZKGLAZ-UHFFFAOYSA-N 1 0 338.433 1.967 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(C)CCN(C(=O)c2ccco2)CC1 ZINC000939914680 700034708 /nfs/dbraw/zinc/03/47/08/700034708.db2.gz OEYPALXRIBXZMT-UHFFFAOYSA-N 1 0 347.375 1.706 20 5 EDBDRO COc1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1C ZINC000996442017 702771491 /nfs/dbraw/zinc/77/14/91/702771491.db2.gz UMONOAYYOTVANF-HZPDHXFCSA-N 1 0 347.415 1.749 20 5 EDBDRO O=C(c1cnco1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000996852108 703130637 /nfs/dbraw/zinc/13/06/37/703130637.db2.gz OCOSHMWQCCUPHM-UHFFFAOYSA-N 1 0 330.344 1.977 20 5 EDBDRO O=C(C[N@H+](C[C@@H]1CCOC1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000052774569 214144155 /nfs/dbraw/zinc/14/41/55/214144155.db2.gz FKCXOEXGPCCHAH-ZDUSSCGKSA-N 1 0 345.399 1.985 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067134630 215116856 /nfs/dbraw/zinc/11/68/56/215116856.db2.gz GQPUTENXCTXNHZ-AWEZNQCLSA-N 1 0 344.375 1.390 20 5 EDBDRO O=C1[C@@H](N2CC[NH+](CC3CC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067377618 215138042 /nfs/dbraw/zinc/13/80/42/215138042.db2.gz VTEAKRVNCQPGHO-KRWDZBQOSA-N 1 0 344.415 1.728 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000103339802 219292963 /nfs/dbraw/zinc/29/29/63/219292963.db2.gz QLAFUDCUNBOEEW-CYBMUJFWSA-N 1 0 325.413 1.582 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000181688659 234286512 /nfs/dbraw/zinc/28/65/12/234286512.db2.gz WOSWMSGNBGDSBF-HZPDHXFCSA-N 1 0 349.431 1.895 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000183608132 235161284 /nfs/dbraw/zinc/16/12/84/235161284.db2.gz XYZMOVCDEQVHSM-ZDUSSCGKSA-N 1 0 348.403 1.043 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2cccnc2)cc1 ZINC000006971000 138094731 /nfs/dbraw/zinc/09/47/31/138094731.db2.gz UGVPJGZEKYUGOT-UHFFFAOYSA-N 1 0 336.373 1.058 20 5 EDBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000067118849 138183818 /nfs/dbraw/zinc/18/38/18/138183818.db2.gz UMYRKSJPBHAOED-SNVBAGLBSA-N 1 0 333.385 1.743 20 5 EDBDRO Nc1ccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000082992182 138268529 /nfs/dbraw/zinc/26/85/29/138268529.db2.gz JPJKHSLCPRBJLR-UHFFFAOYSA-N 1 0 334.376 1.114 20 5 EDBDRO O=C(NCCCC[NH+]1CCOCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000132928289 138385543 /nfs/dbraw/zinc/38/55/43/138385543.db2.gz PGHQGKCVWKTZBX-UHFFFAOYSA-N 1 0 325.340 1.576 20 5 EDBDRO Cc1nn(C)c(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000126136140 138611262 /nfs/dbraw/zinc/61/12/62/138611262.db2.gz WKHQAVHGOFYAPM-ZDUSSCGKSA-N 1 0 337.424 1.877 20 5 EDBDRO [NH3+]CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000237849481 283428498 /nfs/dbraw/zinc/42/84/98/283428498.db2.gz QZHKGIFFGFZTPP-UHFFFAOYSA-N 1 0 346.309 1.611 20 5 EDBDRO C[C@]1(O)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000129621537 223075277 /nfs/dbraw/zinc/07/52/77/223075277.db2.gz GOFJVRIUKIVBRO-HNNXBMFYSA-N 1 0 325.340 1.909 20 5 EDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000130010630 223112716 /nfs/dbraw/zinc/11/27/16/223112716.db2.gz FITIOUNSGMURTE-LBPRGKRZSA-N 1 0 329.360 1.510 20 5 EDBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000131708398 223262058 /nfs/dbraw/zinc/26/20/58/223262058.db2.gz HTYZXMILXVTVPW-CYBMUJFWSA-N 1 0 338.412 1.355 20 5 EDBDRO O=C(CC[NH2+]C[C@@H](O)C1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000566235795 306405253 /nfs/dbraw/zinc/40/52/53/306405253.db2.gz WIHBCBUMSPDNBB-OAHLLOKOSA-N 1 0 337.376 1.301 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CCC[N@H+](CC)CC2)cc([N+](=O)[O-])c1 ZINC000110007035 220008964 /nfs/dbraw/zinc/00/89/64/220008964.db2.gz WRHAYEFBHMKTHG-UHFFFAOYSA-N 1 0 349.387 1.939 20 5 EDBDRO COc1cc(CN[C@H](CC[NH3+])C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000415047538 304154191 /nfs/dbraw/zinc/15/41/91/304154191.db2.gz BDDFMLXOMWDAID-GFCCVEGCSA-N 1 0 337.298 1.981 20 5 EDBDRO O=[N+]([O-])c1cc(C[NH2+]C2(CO)CCOCC2)ccc1Br ZINC000227214392 139022228 /nfs/dbraw/zinc/02/22/28/139022228.db2.gz NZTLFGQLNXXGMO-UHFFFAOYSA-N 1 0 345.193 1.988 20 5 EDBDRO Cc1nn(CCC(=O)N[C@](C)(C[NH3+])CC(C)C)c(C)c1[N+](=O)[O-] ZINC000236663994 139027940 /nfs/dbraw/zinc/02/79/40/139027940.db2.gz ISJIOTNZNWCMKQ-HNNXBMFYSA-N 1 0 325.413 1.678 20 5 EDBDRO CCS(=O)(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000237031347 139038586 /nfs/dbraw/zinc/03/85/86/139038586.db2.gz NUPKWWRTLQYDRX-UHFFFAOYSA-N 1 0 327.406 1.499 20 5 EDBDRO C[NH2+]CC1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000237355126 139048929 /nfs/dbraw/zinc/04/89/29/139048929.db2.gz KNGSGNKRHWCCLR-UHFFFAOYSA-N 1 0 327.406 1.356 20 5 EDBDRO Cc1cc(C(=O)N2CCC[C@H]2C(=O)NC[C@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000237545514 139053741 /nfs/dbraw/zinc/05/37/41/139053741.db2.gz HCDHIKYLFKENOL-ABAIWWIYSA-N 1 0 348.403 1.219 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000237611805 139055729 /nfs/dbraw/zinc/05/57/29/139055729.db2.gz VGGXUZNCYJQSCZ-SNVBAGLBSA-N 1 0 347.824 1.916 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000237663598 139057465 /nfs/dbraw/zinc/05/74/65/139057465.db2.gz ISXZJPJJXBPPLO-GFCCVEGCSA-N 1 0 327.406 1.490 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2cc(F)c(F)c(F)c2)c1 ZINC000567711673 306460271 /nfs/dbraw/zinc/46/02/71/306460271.db2.gz MCUHHGSKIAUTKK-LLVKDONJSA-N 1 0 344.293 1.402 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000415445924 304220367 /nfs/dbraw/zinc/22/03/67/304220367.db2.gz PDIRPAGLXPEQLQ-GXFFZTMASA-N 1 0 334.376 1.291 20 5 EDBDRO [NH3+]CCN(CCO)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415445950 304220408 /nfs/dbraw/zinc/22/04/08/304220408.db2.gz SUXUGFYOPVCDLC-UHFFFAOYSA-N 1 0 336.270 1.399 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000261462088 139208510 /nfs/dbraw/zinc/20/85/10/139208510.db2.gz UBNOTIIOUABXJM-AWEZNQCLSA-N 1 0 347.419 1.150 20 5 EDBDRO CC1(C)CCC[NH2+][C@@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261629890 139212747 /nfs/dbraw/zinc/21/27/47/139212747.db2.gz CXGOSIRNFHSBLQ-CQSZACIVSA-N 1 0 341.433 1.792 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@](C)(C[NH3+])C1 ZINC000261745243 139222431 /nfs/dbraw/zinc/22/24/31/139222431.db2.gz PQFZSHAJVCUWEK-BZNIZROVSA-N 1 0 336.392 1.601 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261812657 139228239 /nfs/dbraw/zinc/22/82/39/139228239.db2.gz GQTRIANRPJPYIQ-MNOVXSKESA-N 1 0 343.405 1.209 20 5 EDBDRO COc1cccc(C[C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000569213845 306499737 /nfs/dbraw/zinc/49/97/37/306499737.db2.gz GDEBWWNOBJKAMY-SWLSCSKDSA-N 1 0 334.376 1.382 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000262014011 139243969 /nfs/dbraw/zinc/24/39/69/139243969.db2.gz WULVLJZPFHFFOP-RYUDHWBXSA-N 1 0 327.406 1.651 20 5 EDBDRO O=C(COC1CC[NH2+]CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000262206696 139259995 /nfs/dbraw/zinc/25/99/95/139259995.db2.gz LCOHHQAGSCKXNA-UHFFFAOYSA-N 1 0 348.403 1.012 20 5 EDBDRO Cc1ccc(NCCCNC(=O)N[C@@H](C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000417717927 251240638 /nfs/dbraw/zinc/24/06/38/251240638.db2.gz NMAGAXHBEYYGMG-AWEZNQCLSA-N 1 0 335.408 1.742 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1C ZINC000262486889 139281774 /nfs/dbraw/zinc/28/17/74/139281774.db2.gz KMFAKBSUGJJQTC-NEPJUHHUSA-N 1 0 327.406 1.630 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000262548611 139285792 /nfs/dbraw/zinc/28/57/92/139285792.db2.gz SACBWNRDGRWZPS-CYBMUJFWSA-N 1 0 347.824 1.916 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420253603 251659905 /nfs/dbraw/zinc/65/99/05/251659905.db2.gz PYSOXUITAHTGHB-CYBMUJFWSA-N 1 0 348.403 1.174 20 5 EDBDRO O=C(CN1CCC[C@H]2C[NH2+]C[C@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420331484 251677300 /nfs/dbraw/zinc/67/73/00/251677300.db2.gz CAZGFPGNVFZZLE-IINYFYTJSA-N 1 0 338.795 1.871 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC000420331392 251677397 /nfs/dbraw/zinc/67/73/97/251677397.db2.gz BWEOVGIRFOGHBC-ABAIWWIYSA-N 1 0 334.376 1.226 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000262815003 139305621 /nfs/dbraw/zinc/30/56/21/139305621.db2.gz PBPWNDZLUIYSLT-AAEUAGOBSA-N 1 0 329.360 1.508 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000262812762 139305454 /nfs/dbraw/zinc/30/54/54/139305454.db2.gz YMCVLJBRGLUHSJ-NXEZZACHSA-N 1 0 347.824 1.833 20 5 EDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262866236 139309065 /nfs/dbraw/zinc/30/90/65/139309065.db2.gz UOISUUWITKVDJB-VHSXEESVSA-N 1 0 330.344 1.671 20 5 EDBDRO COc1cc(OCC(=O)N[C@@H](C[NH3+])C(C)(C)C)ccc1[N+](=O)[O-] ZINC000423946888 252107121 /nfs/dbraw/zinc/10/71/21/252107121.db2.gz COPMTMGSNHUDPX-ZDUSSCGKSA-N 1 0 325.365 1.472 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153324045 224088796 /nfs/dbraw/zinc/08/87/96/224088796.db2.gz JANOVKSIWUZZHL-ZFWWWQNUSA-N 1 0 347.419 1.575 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424301121 252191991 /nfs/dbraw/zinc/19/19/91/252191991.db2.gz XBSWDDIJNOHSOZ-LSDHHAIUSA-N 1 0 331.376 1.264 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000415683350 304255988 /nfs/dbraw/zinc/25/59/88/304255988.db2.gz SNWBWKFUOUKKFL-NEPJUHHUSA-N 1 0 334.376 1.407 20 5 EDBDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000262011032 296398095 /nfs/dbraw/zinc/39/80/95/296398095.db2.gz WLMMLPYAPQBRMG-SKDRFNHKSA-N 1 0 347.824 1.996 20 5 EDBDRO COc1cc(C[NH2+]C2CCC(NC(C)=O)CC2)c([N+](=O)[O-])cc1O ZINC000263679165 139352241 /nfs/dbraw/zinc/35/22/41/139352241.db2.gz MAYZUHJSZJYVNF-UHFFFAOYSA-N 1 0 337.376 1.846 20 5 EDBDRO NC(=O)C1([NH2+]CCn2ccc([N+](=O)[O-])n2)C2CC3CC(C2)CC1C3 ZINC000459781453 255000513 /nfs/dbraw/zinc/00/05/13/255000513.db2.gz SMYZKSOALCERKS-UHFFFAOYSA-N 1 0 333.392 1.061 20 5 EDBDRO CO[C@@H]1C[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1OC ZINC000488002627 255040054 /nfs/dbraw/zinc/04/00/54/255040054.db2.gz OSILLBYYLMKSLU-HUUCEWRRSA-N 1 0 337.376 1.577 20 5 EDBDRO O=C(CC[N@@H+]1CCN2C(=O)OCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000494309627 255245305 /nfs/dbraw/zinc/24/53/05/255245305.db2.gz CGFXHKNIACUPTH-CQSZACIVSA-N 1 0 348.359 1.450 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415807623 304276670 /nfs/dbraw/zinc/27/66/70/304276670.db2.gz LIDFIZSRTSLKIZ-NWDGAFQWSA-N 1 0 334.376 1.475 20 5 EDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000154657432 224285692 /nfs/dbraw/zinc/28/56/92/224285692.db2.gz PYUDWIXAPCRPMG-CYBMUJFWSA-N 1 0 330.772 1.682 20 5 EDBDRO O=C1NCCCN1C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154672887 224288114 /nfs/dbraw/zinc/28/81/14/224288114.db2.gz UDSFDTZLZXMWFC-MRXNPFEDSA-N 1 0 348.403 1.508 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000119337172 221297723 /nfs/dbraw/zinc/29/77/23/221297723.db2.gz OUJIXROEIAPZCU-GXTWGEPZSA-N 1 0 348.403 1.640 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000119469001 221326830 /nfs/dbraw/zinc/32/68/30/221326830.db2.gz CFZALFPQYMZZHX-FZMZJTMJSA-N 1 0 334.376 1.332 20 5 EDBDRO C[C@H]1C[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000155821000 224474737 /nfs/dbraw/zinc/47/47/37/224474737.db2.gz FGLKFOMHEXLWHB-WCQYABFASA-N 1 0 339.417 1.639 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000264255531 139390573 /nfs/dbraw/zinc/39/05/73/139390573.db2.gz CSEFAKHRICBOPA-CQSZACIVSA-N 1 0 348.403 1.983 20 5 EDBDRO C[N@H+](CCCO)C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000270397611 140092350 /nfs/dbraw/zinc/09/23/50/140092350.db2.gz UWEUTRCUBRWBGK-BQYQJAHWSA-N 1 0 347.415 1.913 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)n1 ZINC000270771514 140165712 /nfs/dbraw/zinc/16/57/12/140165712.db2.gz QHKNRRTYXWUVHL-NSHDSACASA-N 1 0 349.416 1.957 20 5 EDBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)OC ZINC000271562810 140311731 /nfs/dbraw/zinc/31/17/31/140311731.db2.gz ADYSQIQYSZAFOF-UHFFFAOYSA-N 1 0 346.409 1.140 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000331834132 141086465 /nfs/dbraw/zinc/08/64/65/141086465.db2.gz RKXYZODOIJBLLR-GXTWGEPZSA-N 1 0 339.417 1.530 20 5 EDBDRO CN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC[NH+](C)CC1 ZINC000332499631 141191623 /nfs/dbraw/zinc/19/16/23/141191623.db2.gz QWFCTQWYAIFPDB-UHFFFAOYSA-N 1 0 349.387 1.461 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1 ZINC000339411287 142040785 /nfs/dbraw/zinc/04/07/85/142040785.db2.gz OQJRDHAERRHQJE-HNNXBMFYSA-N 1 0 347.375 1.395 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000342771465 142754598 /nfs/dbraw/zinc/75/45/98/142754598.db2.gz PXCQVRRIAGNNOP-UHFFFAOYSA-N 1 0 348.403 1.642 20 5 EDBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000344430270 142966372 /nfs/dbraw/zinc/96/63/72/142966372.db2.gz JHOQFBHZSUMZGO-GJZGRUSLSA-N 1 0 333.436 1.985 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000344764670 143009074 /nfs/dbraw/zinc/00/90/74/143009074.db2.gz CARHNMGUYBAZGP-CYBMUJFWSA-N 1 0 349.435 1.823 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000345379688 143084191 /nfs/dbraw/zinc/08/41/91/143084191.db2.gz XOCVXINPWXGWRA-UHFFFAOYSA-N 1 0 342.827 1.862 20 5 EDBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cs1 ZINC000345691616 143121991 /nfs/dbraw/zinc/12/19/91/143121991.db2.gz JGENFGMAFIXHOP-DGCLKSJQSA-N 1 0 346.430 1.482 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)n1 ZINC000346260971 143184516 /nfs/dbraw/zinc/18/45/16/143184516.db2.gz LOKFILMZMABHIF-RWMBFGLXSA-N 1 0 335.408 1.614 20 5 EDBDRO CNc1c(C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)cccc1[N+](=O)[O-] ZINC000347238503 143298721 /nfs/dbraw/zinc/29/87/21/143298721.db2.gz RIQAWOMYKGNUEE-GFCCVEGCSA-N 1 0 336.392 1.165 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CC2)cc1[N+](=O)[O-] ZINC000347413410 143318416 /nfs/dbraw/zinc/31/84/16/143318416.db2.gz DKHRJCHDUUTLND-UHFFFAOYSA-N 1 0 327.406 1.618 20 5 EDBDRO CO[C@H]1C[C@H](C[NH+]2CCCC2)N(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000347908504 143377963 /nfs/dbraw/zinc/37/79/63/143377963.db2.gz WMLIGLKZSQKLGZ-KGLIPLIRSA-N 1 0 348.403 1.383 20 5 EDBDRO CC(C)[NH+]1CCC(O)(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000350655000 143547607 /nfs/dbraw/zinc/54/76/07/143547607.db2.gz CYHNRWKVCZWWKA-UHFFFAOYSA-N 1 0 335.404 1.489 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000352852052 149189515 /nfs/dbraw/zinc/18/95/15/149189515.db2.gz CZFPTXUDBLPGTE-GFCCVEGCSA-N 1 0 337.376 1.180 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@](C)(CO)C(C)C ZINC000352919709 149216018 /nfs/dbraw/zinc/21/60/18/149216018.db2.gz XPCYCHXKODGDQW-INIZCTEOSA-N 1 0 339.392 1.929 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000354886828 150012537 /nfs/dbraw/zinc/01/25/37/150012537.db2.gz QLCUDZZMKQTHDQ-UHFFFAOYSA-N 1 0 335.408 1.736 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@](C)(O)C2)cc1[N+](=O)[O-] ZINC000355726524 150376838 /nfs/dbraw/zinc/37/68/38/150376838.db2.gz KLKNIUSKSVYWNU-INIZCTEOSA-N 1 0 338.360 1.493 20 5 EDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000355749815 150385675 /nfs/dbraw/zinc/38/56/75/150385675.db2.gz SXENBDASTGDNEW-VXGBXAGGSA-N 1 0 327.406 1.656 20 5 EDBDRO COc1cc(OCC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000357384617 151014710 /nfs/dbraw/zinc/01/47/10/151014710.db2.gz FLPZGFYDWYYIJC-VXGBXAGGSA-N 1 0 337.376 1.581 20 5 EDBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)Cn1cc([N+](=O)[O-])cn1)[NH+](C)C ZINC000357853709 151173468 /nfs/dbraw/zinc/17/34/68/151173468.db2.gz CNJGDRARXXKJTR-SUMWQHHRSA-N 1 0 345.403 1.907 20 5 EDBDRO COC[C@@](C)([NH3+])CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000357902570 151189919 /nfs/dbraw/zinc/18/99/19/151189919.db2.gz AZJQVHZETXGVNT-INIZCTEOSA-N 1 0 347.375 1.335 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000370049943 155301792 /nfs/dbraw/zinc/30/17/92/155301792.db2.gz LYLSMIBLKGCZMZ-CZUORRHYSA-N 1 0 332.404 1.868 20 5 EDBDRO C[C@H](C(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000358055439 151249785 /nfs/dbraw/zinc/24/97/85/151249785.db2.gz MEVHDRIEFZVIFN-BONVTDFDSA-N 1 0 325.340 1.020 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CCC(C(N)=O)CC1 ZINC000358162738 151292340 /nfs/dbraw/zinc/29/23/40/151292340.db2.gz SKHWNKNUHSXTSN-PNESKVBLSA-N 1 0 348.403 1.946 20 5 EDBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CS(=O)(=O)CCO2)cccc1[N+](=O)[O-] ZINC000358297782 151329607 /nfs/dbraw/zinc/32/96/07/151329607.db2.gz JZVXTZBPTJZHAV-RYUDHWBXSA-N 1 0 328.390 1.367 20 5 EDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000370079627 155315244 /nfs/dbraw/zinc/31/52/44/155315244.db2.gz FPENMLCAZSYTFV-DVOMOZLQSA-N 1 0 332.404 1.948 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000360543088 152088077 /nfs/dbraw/zinc/08/80/77/152088077.db2.gz GOTSPHODSKGPPZ-KRWDZBQOSA-N 1 0 348.403 1.617 20 5 EDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000361004821 152276414 /nfs/dbraw/zinc/27/64/14/152276414.db2.gz OOSYOZUIGMKTFP-TZMCWYRMSA-N 1 0 339.779 1.841 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000417178021 304380785 /nfs/dbraw/zinc/38/07/85/304380785.db2.gz KXESUIWOIBWPER-LBPRGKRZSA-N 1 0 336.392 1.874 20 5 EDBDRO COc1ccc(CNC(=O)N[C@@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000417195647 304383502 /nfs/dbraw/zinc/38/35/02/304383502.db2.gz OCYYLHHHKNGDIT-VIFPVBQESA-N 1 0 332.307 1.385 20 5 EDBDRO COC(=O)CN1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000370237428 155395074 /nfs/dbraw/zinc/39/50/74/155395074.db2.gz WJVXCEXAOJECPR-UHFFFAOYSA-N 1 0 337.376 1.154 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000248673277 292294975 /nfs/dbraw/zinc/29/49/75/292294975.db2.gz GWPXDSWTZVEYJT-BZNIZROVSA-N 1 0 332.360 1.638 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000367824306 154285963 /nfs/dbraw/zinc/28/59/63/154285963.db2.gz QPEXLTWLPXEOGB-ZDUSSCGKSA-N 1 0 341.389 1.024 20 5 EDBDRO O=C(CC[N@@H+]1CC[C@]2(CNC(=O)C2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000369374997 155001848 /nfs/dbraw/zinc/00/18/48/155001848.db2.gz MLAWOCONHGYCEC-INIZCTEOSA-N 1 0 332.360 1.135 20 5 EDBDRO CN(C[C@H]1CCc2nccn2C1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000369500440 155060883 /nfs/dbraw/zinc/06/08/83/155060883.db2.gz LSAHGPUDDKHZBF-LLVKDONJSA-N 1 0 329.360 1.708 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000369537401 155077130 /nfs/dbraw/zinc/07/71/30/155077130.db2.gz QJVRZNBOOQGDFM-OLZOCXBDSA-N 1 0 339.417 1.748 20 5 EDBDRO CC[C@@]1(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC[NH2+]C1 ZINC000372190746 156264543 /nfs/dbraw/zinc/26/45/43/156264543.db2.gz DBLNBXHQZFFMJN-BLLLJJGKSA-N 1 0 333.392 1.392 20 5 EDBDRO O=C1[C@@H]([N@@H+]2CCCC[C@H](CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374045117 157120176 /nfs/dbraw/zinc/12/01/76/157120176.db2.gz WEROYXAFXZQHAF-BBRMVZONSA-N 1 0 333.388 1.795 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(c3c[nH]cn3)CC2)c1 ZINC000374202166 157190912 /nfs/dbraw/zinc/19/09/12/157190912.db2.gz ZWVQUXVZKQOKNX-HNNXBMFYSA-N 1 0 346.387 1.937 20 5 EDBDRO CN(Cc1c([N+](=O)[O-])ncn1C)C1CC[NH+](CCn2cccn2)CC1 ZINC000377956142 158038577 /nfs/dbraw/zinc/03/85/77/158038577.db2.gz RDMRGEGBWZGQOC-UHFFFAOYSA-N 1 0 347.423 1.121 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000360667713 162296935 /nfs/dbraw/zinc/29/69/35/162296935.db2.gz ZLBGYRJRYXETHN-VXGBXAGGSA-N 1 0 327.406 1.664 20 5 EDBDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1ccc([N+](=O)[O-])cn1 ZINC000366121864 162369885 /nfs/dbraw/zinc/36/98/85/162369885.db2.gz YICUXRIVGAITGT-UHFFFAOYSA-N 1 0 348.403 1.755 20 5 EDBDRO CC[NH+](CC)Cc1cccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000058097602 287233355 /nfs/dbraw/zinc/23/33/55/287233355.db2.gz WZFHKGDMBWFBMZ-UHFFFAOYSA-N 1 0 332.364 1.667 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000076925516 287286258 /nfs/dbraw/zinc/28/62/58/287286258.db2.gz KJADKYDQVWKDKK-HNNXBMFYSA-N 1 0 349.387 1.842 20 5 EDBDRO Cc1c(CC(=O)N[C@H](C)CCN2CCOCC2)cccc1[N+](=O)[O-] ZINC000122744452 287382833 /nfs/dbraw/zinc/38/28/33/287382833.db2.gz HLYALCSZLICYFF-CYBMUJFWSA-N 1 0 335.404 1.673 20 5 EDBDRO NC(=O)C1([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000123237479 222240061 /nfs/dbraw/zinc/24/00/61/222240061.db2.gz FSSKENOUCYFXSK-CYBMUJFWSA-N 1 0 337.376 1.112 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC[NH+](C)C)C(C)C ZINC000123386320 222268562 /nfs/dbraw/zinc/26/85/62/222268562.db2.gz HGDUNLBCOUOKBL-UHFFFAOYSA-N 1 0 345.421 1.564 20 5 EDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000154436351 287643937 /nfs/dbraw/zinc/64/39/37/287643937.db2.gz VRHOFOXTBTVUJQ-LBPRGKRZSA-N 1 0 337.380 1.035 20 5 EDBDRO CN(c1ncc([N+](=O)[O-])cn1)C1CC[NH+](CCn2cccn2)CC1 ZINC000273612522 268064864 /nfs/dbraw/zinc/06/48/64/268064864.db2.gz MGNQSJKTYSPXLV-UHFFFAOYSA-N 1 0 331.380 1.182 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000274566662 268160448 /nfs/dbraw/zinc/16/04/48/268160448.db2.gz QHSZEPYVGXRIKN-UHFFFAOYSA-N 1 0 338.408 1.217 20 5 EDBDRO C[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000275034251 268269092 /nfs/dbraw/zinc/26/90/92/268269092.db2.gz OYVIZJQJUKLQOO-JTQLQIEISA-N 1 0 331.319 1.699 20 5 EDBDRO O=C1C[C@@]2(CC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)CN1 ZINC000278870998 268755182 /nfs/dbraw/zinc/75/51/82/268755182.db2.gz MAZMQIOQMGQVEJ-KRWDZBQOSA-N 1 0 342.355 1.962 20 5 EDBDRO COc1cc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c([N+](=O)[O-])cc1O ZINC000280342687 268944183 /nfs/dbraw/zinc/94/41/83/268944183.db2.gz RPRCIMWHNVTLNC-CMPLNLGQSA-N 1 0 326.349 1.044 20 5 EDBDRO CCOCCOC1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273752695 273052829 /nfs/dbraw/zinc/05/28/29/273052829.db2.gz XCCJCDPOMRGQOQ-ZDUSSCGKSA-N 1 0 340.376 1.072 20 5 EDBDRO O=c1[nH]ccc2c1C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000276936624 273170330 /nfs/dbraw/zinc/17/03/30/273170330.db2.gz NAHLWVIRRCYJSM-CYBMUJFWSA-N 1 0 345.355 1.493 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000277263815 273184661 /nfs/dbraw/zinc/18/46/61/273184661.db2.gz LUSNCIVQAZACAO-CQSZACIVSA-N 1 0 349.387 1.729 20 5 EDBDRO C[C@H]1COCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000277452710 273199554 /nfs/dbraw/zinc/19/95/54/273199554.db2.gz MBANCSMSWSHCSX-FZMZJTMJSA-N 1 0 328.390 1.383 20 5 EDBDRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000278911528 273270553 /nfs/dbraw/zinc/27/05/53/273270553.db2.gz ZMFOROJBMIQBFY-OSAQELSMSA-N 1 0 337.376 1.705 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)C(=O)N1CCCC1 ZINC000281453385 273475562 /nfs/dbraw/zinc/47/55/62/273475562.db2.gz DKIHGJAHAQHKHS-OLZOCXBDSA-N 1 0 348.403 1.912 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1([S@@](C)=O)CC1 ZINC000282485933 273661360 /nfs/dbraw/zinc/66/13/60/273661360.db2.gz XFUFKZKSPFCSOG-QVQLBTGDSA-N 1 0 339.417 1.813 20 5 EDBDRO CS[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000284201480 274114700 /nfs/dbraw/zinc/11/47/00/274114700.db2.gz SNBFDPOGTXSHNO-UONOGXRCSA-N 1 0 340.405 1.980 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)c1 ZINC000284465619 274211790 /nfs/dbraw/zinc/21/17/90/274211790.db2.gz ALACQJLVVSZCNH-AAEUAGOBSA-N 1 0 337.376 1.395 20 5 EDBDRO CO[C@@H]1C[C@@H](CO)[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000284547260 274240723 /nfs/dbraw/zinc/24/07/23/274240723.db2.gz HOCKYWXICYTYNR-UONOGXRCSA-N 1 0 337.376 1.313 20 5 EDBDRO CC1(C)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000284572020 274249097 /nfs/dbraw/zinc/24/90/97/274249097.db2.gz YUDULRHRKIMDNF-ZDUSSCGKSA-N 1 0 327.406 1.651 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000284724104 274308467 /nfs/dbraw/zinc/30/84/67/274308467.db2.gz SRMZVCBDMIBMNJ-STQMWFEESA-N 1 0 337.376 1.395 20 5 EDBDRO C[N@@H+]1CCO[C@@H]2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C[C@H]21 ZINC000284860629 274363035 /nfs/dbraw/zinc/36/30/35/274363035.db2.gz FIAJXSXHIAVQSR-VXGBXAGGSA-N 1 0 346.309 1.918 20 5 EDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])[N@H+](C)C1 ZINC000284863114 274363918 /nfs/dbraw/zinc/36/39/18/274363918.db2.gz DKGPZZAGBWLJPA-UWVGGRQHSA-N 1 0 343.330 1.664 20 5 EDBDRO O=C1CC[C@@H]([NH+]2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)CCN1 ZINC000450895050 275017686 /nfs/dbraw/zinc/01/76/86/275017686.db2.gz WQLSZSSMLBTWOP-CYBMUJFWSA-N 1 0 336.367 1.525 20 5 EDBDRO O=C1CC[C@H]([NH+]2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)CCN1 ZINC000450893581 275018142 /nfs/dbraw/zinc/01/81/42/275018142.db2.gz RYVDJDPOXQMGCG-LBPRGKRZSA-N 1 0 336.367 1.525 20 5 EDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCN([C@H]3CC[NH2+]C3)CC2)s1 ZINC000261818931 275034153 /nfs/dbraw/zinc/03/41/53/275034153.db2.gz HBWJVCAXFGCLQI-JTQLQIEISA-N 1 0 334.405 1.083 20 5 EDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)c21 ZINC000347427829 275039634 /nfs/dbraw/zinc/03/96/34/275039634.db2.gz YBLRHPQMKQJXNI-ZDUSSCGKSA-N 1 0 343.387 1.697 20 5 EDBDRO CC[NH+](CC)C[C@H](C)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000341711352 276107098 /nfs/dbraw/zinc/10/70/98/276107098.db2.gz ZNMMBPFNAMXNCC-LBPRGKRZSA-N 1 0 336.392 1.171 20 5 EDBDRO CC[NH+](CC)C[C@H]1CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000189329401 276109828 /nfs/dbraw/zinc/10/98/28/276109828.db2.gz RHTVDXIVOUTAPR-GFCCVEGCSA-N 1 0 336.392 1.945 20 5 EDBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)CC(C)C ZINC000356156163 276113666 /nfs/dbraw/zinc/11/36/66/276113666.db2.gz ZPVVXKDFJOEANI-GFCCVEGCSA-N 1 0 325.413 1.815 20 5 EDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000285974070 287904881 /nfs/dbraw/zinc/90/48/81/287904881.db2.gz HJVMKMLXIWDFHE-LLYBFZRZSA-N 1 0 330.388 1.114 20 5 EDBDRO C[NH2+]C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000193272640 277020173 /nfs/dbraw/zinc/02/01/73/277020173.db2.gz LBZNPYVTEMDJAD-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO C[N@@H+]1CC[C@]2(CCN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000366518251 277186308 /nfs/dbraw/zinc/18/63/08/277186308.db2.gz IAMVEZKHGOSUGM-AEFFLSMTSA-N 1 0 344.415 1.728 20 5 EDBDRO C[C@@H]1C[NH+](CCCNC(=O)Nc2ccncc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000183602151 278747904 /nfs/dbraw/zinc/74/79/04/278747904.db2.gz HJHDGXSWCVMSEU-VXGBXAGGSA-N 1 0 337.380 1.611 20 5 EDBDRO C[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000268284409 278802877 /nfs/dbraw/zinc/80/28/77/278802877.db2.gz XEKNHLMJLRZFPB-YGRLFVJLSA-N 1 0 327.406 1.385 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151740732 279161154 /nfs/dbraw/zinc/16/11/54/279161154.db2.gz ABPTVZVUWFETEJ-GFCCVEGCSA-N 1 0 329.422 1.745 20 5 EDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000286906261 288115252 /nfs/dbraw/zinc/11/52/52/288115252.db2.gz LZYBRCPOLSOEBQ-UWWQBHOKSA-N 1 0 349.431 1.893 20 5 EDBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000262063719 279628875 /nfs/dbraw/zinc/62/88/75/279628875.db2.gz FESTVKONJRPKTI-SNVBAGLBSA-N 1 0 326.784 1.540 20 5 EDBDRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000287202395 288179373 /nfs/dbraw/zinc/17/93/73/288179373.db2.gz DPCJWEHMHKZZIV-RYUDHWBXSA-N 1 0 339.396 1.779 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000287214862 288182815 /nfs/dbraw/zinc/18/28/15/288182815.db2.gz FCXYKSYGNRBONK-ZIAGYGMSSA-N 1 0 337.376 1.049 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[NH2+]CC1 ZINC000178891560 280502025 /nfs/dbraw/zinc/50/20/25/280502025.db2.gz XRXZOOPFBRDKQA-UHFFFAOYSA-N 1 0 333.797 1.541 20 5 EDBDRO O=C([C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000287496758 288251123 /nfs/dbraw/zinc/25/11/23/288251123.db2.gz TVAJVZYERUKHAP-GOEBONIOSA-N 1 0 333.388 1.573 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](CCCO)Cc2ccccn2)c1 ZINC000287973149 288370999 /nfs/dbraw/zinc/37/09/99/288370999.db2.gz ZMXQFQUPVPIPEN-KRWDZBQOSA-N 1 0 331.372 1.908 20 5 EDBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290252214 288866123 /nfs/dbraw/zinc/86/61/23/288866123.db2.gz WNGURNKOJSRUDJ-GHMZBOCLSA-N 1 0 342.355 1.530 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000291495505 289085206 /nfs/dbraw/zinc/08/52/06/289085206.db2.gz RNCKAGPOPLBFBP-TZMCWYRMSA-N 1 0 349.387 1.539 20 5 EDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292225333 289293761 /nfs/dbraw/zinc/29/37/61/289293761.db2.gz VGDHETGXSDMEAM-GUYCJALGSA-N 1 0 332.404 1.949 20 5 EDBDRO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000420185771 295256104 /nfs/dbraw/zinc/25/61/04/295256104.db2.gz ACLWDOBYJHIPAN-KBPBESRZSA-N 1 0 348.403 1.607 20 5 EDBDRO CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000419169284 304573694 /nfs/dbraw/zinc/57/36/94/304573694.db2.gz RAEGDPKNWYFHLC-FZMZJTMJSA-N 1 0 336.392 1.134 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000420417145 301391606 /nfs/dbraw/zinc/39/16/06/301391606.db2.gz DHDQWFKDZXHKHE-PWSUYJOCSA-N 1 0 327.406 1.651 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000422557400 301395609 /nfs/dbraw/zinc/39/56/09/301395609.db2.gz VZQBPBIROVZYNS-WXHSDQCUSA-N 1 0 341.433 1.897 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)cc1C ZINC000237666422 301425501 /nfs/dbraw/zinc/42/55/01/301425501.db2.gz DUQHSYFMWWHZPO-GFCCVEGCSA-N 1 0 327.406 1.571 20 5 EDBDRO COc1ccc(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420462484 304760876 /nfs/dbraw/zinc/76/08/76/304760876.db2.gz HTXWQFUZJKYJKL-QWRGUYRKSA-N 1 0 343.405 1.399 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000192028319 302048034 /nfs/dbraw/zinc/04/80/34/302048034.db2.gz HNWLRMFSFVVSNX-LBPRGKRZSA-N 1 0 327.406 1.699 20 5 EDBDRO CC(C)(C)[NH2+]CCN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000414752118 447321124 /nfs/dbraw/zinc/32/11/24/447321124.db2.gz TYUJGKUIMMFZEK-UHFFFAOYSA-N 1 0 340.449 1.802 20 5 EDBDRO C[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC(=O)N1 ZINC000295027598 303164638 /nfs/dbraw/zinc/16/46/38/303164638.db2.gz NPRSTWHJOZVWCX-LLVKDONJSA-N 1 0 329.360 1.316 20 5 EDBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc([N+](=O)[O-])cc1F ZINC000295372332 303210962 /nfs/dbraw/zinc/21/09/62/303210962.db2.gz GMAUVZSBOIJCSS-LLVKDONJSA-N 1 0 325.340 1.311 20 5 EDBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000295615082 303242172 /nfs/dbraw/zinc/24/21/72/303242172.db2.gz OBDPNANQEJSWQG-KGLIPLIRSA-N 1 0 349.387 1.905 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 ZINC000295660683 303248955 /nfs/dbraw/zinc/24/89/55/303248955.db2.gz HXXXIWMHQQATQB-LSDHHAIUSA-N 1 0 331.376 1.771 20 5 EDBDRO COC(=O)Cc1ccc(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000296675947 303330870 /nfs/dbraw/zinc/33/08/70/303330870.db2.gz AOCOXZBEPVNEJO-JKSUJKDBSA-N 1 0 349.387 1.220 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000301576265 303685041 /nfs/dbraw/zinc/68/50/41/303685041.db2.gz MHGPNKUEQCSBSA-RYUDHWBXSA-N 1 0 331.376 1.887 20 5 EDBDRO Cc1cc(NC2CCN(CC(N)=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302213294 303718503 /nfs/dbraw/zinc/71/85/03/303718503.db2.gz ZGKREPLOVKBBRR-UHFFFAOYSA-N 1 0 343.387 1.813 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000303370062 303745446 /nfs/dbraw/zinc/74/54/46/303745446.db2.gz JYRSQVQTWXOLLT-HZPDHXFCSA-N 1 0 335.404 1.505 20 5 EDBDRO O=C(NCCCN1CC[NH2+]CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000315818876 303762935 /nfs/dbraw/zinc/76/29/35/303762935.db2.gz KRDDVROLKJRWGE-UHFFFAOYSA-N 1 0 326.784 1.273 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)n1 ZINC000427508661 304992945 /nfs/dbraw/zinc/99/29/45/304992945.db2.gz DKCUSXPOVNGZDR-CQSZACIVSA-N 1 0 345.403 1.714 20 5 EDBDRO CNC(=O)[C@]1(C)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430253205 305048884 /nfs/dbraw/zinc/04/88/84/305048884.db2.gz DPCBOWYLWQWLER-MRXNPFEDSA-N 1 0 334.376 1.381 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@H]2[NH2+]CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000430380738 305052056 /nfs/dbraw/zinc/05/20/56/305052056.db2.gz SDTPAXGFVDCSLZ-CQSZACIVSA-N 1 0 341.433 1.960 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@H](C[NH3+])C1 ZINC000430610699 305058873 /nfs/dbraw/zinc/05/88/73/305058873.db2.gz LKJYYLBNCBZVOI-NWDGAFQWSA-N 1 0 336.392 1.601 20 5 EDBDRO C[C@@H](C[NH3+])N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000430933761 305069028 /nfs/dbraw/zinc/06/90/28/305069028.db2.gz LZTNWAGZGFRNKK-QMMMGPOBSA-N 1 0 345.197 1.575 20 5 EDBDRO C[NH2+]CC1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000430959478 305070948 /nfs/dbraw/zinc/07/09/48/305070948.db2.gz ZPKWQRKPBNGKQB-UHFFFAOYSA-N 1 0 332.404 1.415 20 5 EDBDRO Cc1cc(OCC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000432197254 305088807 /nfs/dbraw/zinc/08/88/07/305088807.db2.gz XGOITRYCJCSXTF-SWLSCSKDSA-N 1 0 333.388 1.881 20 5 EDBDRO O=C(c1ncn([C@H]2CCC[NH2+]C2)n1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000433381919 305107005 /nfs/dbraw/zinc/10/70/05/305107005.db2.gz MGOXXEZAFMNJTK-NSHDSACASA-N 1 0 342.359 1.314 20 5 EDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000436050102 305151384 /nfs/dbraw/zinc/15/13/84/305151384.db2.gz MRAGETDLRODFDL-NWDGAFQWSA-N 1 0 334.376 1.575 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000441238011 305219359 /nfs/dbraw/zinc/21/93/59/305219359.db2.gz XRLPWHVHCQRLOX-GXTWGEPZSA-N 1 0 347.419 1.931 20 5 EDBDRO CC(=O)N1CCC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447514314 305281056 /nfs/dbraw/zinc/28/10/56/305281056.db2.gz CXWIVYQCLJJUFP-LSDHHAIUSA-N 1 0 335.408 1.876 20 5 EDBDRO CC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000449173710 305308766 /nfs/dbraw/zinc/30/87/66/305308766.db2.gz GLWBNLHVEWMXQP-HIFRSBDPSA-N 1 0 335.404 1.753 20 5 EDBDRO COc1cc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)c([N+](=O)[O-])cc1OC ZINC000449655485 305316295 /nfs/dbraw/zinc/31/62/95/305316295.db2.gz HDKYECWEVPAJKG-LBPRGKRZSA-N 1 0 345.302 1.339 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2C[C@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451499641 305349702 /nfs/dbraw/zinc/34/97/02/305349702.db2.gz NQMNLNGAIDZNJO-KGLIPLIRSA-N 1 0 337.376 1.945 20 5 EDBDRO CCc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc1[N+](=O)[O-] ZINC000452357763 305392301 /nfs/dbraw/zinc/39/23/01/305392301.db2.gz FKXCSNXISVKYID-HNNXBMFYSA-N 1 0 335.404 1.734 20 5 EDBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000452367682 305393418 /nfs/dbraw/zinc/39/34/18/305393418.db2.gz PYMMCHIYJZUWET-LBPRGKRZSA-N 1 0 346.387 1.653 20 5 EDBDRO CNc1nc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000455874967 305447860 /nfs/dbraw/zinc/44/78/60/305447860.db2.gz MGICWRROPXGATH-AWEZNQCLSA-N 1 0 339.421 1.199 20 5 EDBDRO Cc1nn(CCC(=O)NC(C)(C)C[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000457058172 305480803 /nfs/dbraw/zinc/48/08/03/305480803.db2.gz VVSYSEQCJVDOJG-UHFFFAOYSA-N 1 0 337.424 1.789 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000515655441 305726327 /nfs/dbraw/zinc/72/63/27/305726327.db2.gz IOPHMEPLRSTIRA-RDJZCZTQSA-N 1 0 347.415 1.904 20 5 EDBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000549157626 306144934 /nfs/dbraw/zinc/14/49/34/306144934.db2.gz GCDYIDHMNDTNSL-AAEUAGOBSA-N 1 0 329.360 1.883 20 5 EDBDRO CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCC1 ZINC000449670269 447382683 /nfs/dbraw/zinc/38/26/83/447382683.db2.gz PPVMOOWMYPVWGK-UHFFFAOYSA-N 1 0 334.376 1.055 20 5 EDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000449707215 447387238 /nfs/dbraw/zinc/38/72/38/447387238.db2.gz PXWXHSFWOSDTMU-HNNXBMFYSA-N 1 0 343.387 1.898 20 5 EDBDRO COc1ccc(NC(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000415430678 447431808 /nfs/dbraw/zinc/43/18/08/447431808.db2.gz CTNPGUVNVJMEKT-ONGXEEELSA-N 1 0 338.364 1.838 20 5 EDBDRO C[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[N@H+](C)C1CC1 ZINC000057709474 441128852 /nfs/dbraw/zinc/12/88/52/441128852.db2.gz OKHSEGBYHAATQI-GFCCVEGCSA-N 1 0 343.387 1.993 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000058176263 441156151 /nfs/dbraw/zinc/15/61/51/441156151.db2.gz SJUWNUTYGJSXQZ-UHFFFAOYSA-N 1 0 343.405 1.318 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000081729352 441305916 /nfs/dbraw/zinc/30/59/16/441305916.db2.gz BLHPSSJVIXUARV-WFASDCNBSA-N 1 0 348.403 1.123 20 5 EDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000074288303 441416275 /nfs/dbraw/zinc/41/62/75/441416275.db2.gz IAPGOVBOIWODQL-NEPJUHHUSA-N 1 0 327.406 1.656 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000065769782 441483315 /nfs/dbraw/zinc/48/33/15/441483315.db2.gz OVAVGDNAHGFUQR-OAHLLOKOSA-N 1 0 345.403 1.471 20 5 EDBDRO C[C@@H](CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000109258018 441492492 /nfs/dbraw/zinc/49/24/92/441492492.db2.gz AQSGRRGBNMXOMQ-ZDUSSCGKSA-N 1 0 349.387 1.634 20 5 EDBDRO CC[NH+](CC)CC(=O)N1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074747859 441462879 /nfs/dbraw/zinc/46/28/79/441462879.db2.gz OQSYPAQRAWSCON-UHFFFAOYSA-N 1 0 335.408 1.289 20 5 EDBDRO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000031338989 441522753 /nfs/dbraw/zinc/52/27/53/441522753.db2.gz PDLBDTAGRCOTES-UHFFFAOYSA-N 1 0 342.355 1.071 20 5 EDBDRO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000032072882 441544670 /nfs/dbraw/zinc/54/46/70/441544670.db2.gz RPUJUHFQFJBXAJ-NSHDSACASA-N 1 0 345.421 1.612 20 5 EDBDRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cn2)CC1 ZINC000055148402 441622852 /nfs/dbraw/zinc/62/28/52/441622852.db2.gz GISQWIOUYVOBJT-UHFFFAOYSA-N 1 0 331.332 1.587 20 5 EDBDRO CC(C)C[NH+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000055168685 441623437 /nfs/dbraw/zinc/62/34/37/441623437.db2.gz ATVSSBGGDFWXMI-UHFFFAOYSA-N 1 0 335.360 1.737 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000114210639 441641513 /nfs/dbraw/zinc/64/15/13/441641513.db2.gz JCFQSBACTRFMKY-NSHDSACASA-N 1 0 343.405 1.176 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000041604711 441662959 /nfs/dbraw/zinc/66/29/59/441662959.db2.gz WZKVSMANGJASED-LLVKDONJSA-N 1 0 336.392 1.688 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000041890037 441681592 /nfs/dbraw/zinc/68/15/92/441681592.db2.gz PYYRHKXAFZABRN-LBPRGKRZSA-N 1 0 346.387 1.442 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[N@@H+](C)C(C)C ZINC000041716313 441669121 /nfs/dbraw/zinc/66/91/21/441669121.db2.gz MNWWQLYOSONALK-UHFFFAOYSA-N 1 0 336.392 1.688 20 5 EDBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000068129630 441739030 /nfs/dbraw/zinc/73/90/30/441739030.db2.gz LQRGXSWIFAUSIO-KBPBESRZSA-N 1 0 337.424 1.666 20 5 EDBDRO C[NH+](C)CCOc1cccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000056891128 441755680 /nfs/dbraw/zinc/75/56/80/441755680.db2.gz HOKLILVVLYWBPY-UHFFFAOYSA-N 1 0 347.375 1.048 20 5 EDBDRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000115585731 441762040 /nfs/dbraw/zinc/76/20/40/441762040.db2.gz NDCQDLIFBFYWTN-AWEZNQCLSA-N 1 0 341.433 1.698 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000115585528 441762706 /nfs/dbraw/zinc/76/27/06/441762706.db2.gz OFQQADMPVQECOL-ZDUSSCGKSA-N 1 0 341.433 1.866 20 5 EDBDRO CC1CCC([NH+]2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000115254816 441719340 /nfs/dbraw/zinc/71/93/40/441719340.db2.gz UAKSUIJPUYDQIM-UHFFFAOYSA-N 1 0 349.435 1.904 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000068336821 441778489 /nfs/dbraw/zinc/77/84/89/441778489.db2.gz VNRCLNGDAUOLSP-UHFFFAOYSA-N 1 0 338.408 1.481 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000043284941 441828966 /nfs/dbraw/zinc/82/89/66/441828966.db2.gz BHKCPGIQGQRQAH-HNNXBMFYSA-N 1 0 343.387 1.745 20 5 EDBDRO Cc1sc(S(=O)(=O)N[C@@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000123876710 441902305 /nfs/dbraw/zinc/90/23/05/441902305.db2.gz STGIVXVEWSTNOU-LLVKDONJSA-N 1 0 345.446 1.727 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000094129965 441906934 /nfs/dbraw/zinc/90/69/34/441906934.db2.gz IGROWDPCJSORJK-CQSZACIVSA-N 1 0 334.420 1.496 20 5 EDBDRO Cc1cc(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc([N+](=O)[O-])c1 ZINC000147375706 441907036 /nfs/dbraw/zinc/90/70/36/441907036.db2.gz HYOOESIPWWFHJC-MRXNPFEDSA-N 1 0 335.404 1.990 20 5 EDBDRO COCCC[N@@H+]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000078302297 441917128 /nfs/dbraw/zinc/91/71/28/441917128.db2.gz NJTCZKYWYUFENJ-UHFFFAOYSA-N 1 0 336.392 1.242 20 5 EDBDRO C[NH+](C)C1CCC(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000117639136 441875725 /nfs/dbraw/zinc/87/57/25/441875725.db2.gz RTNQYHZWOATFLK-UHFFFAOYSA-N 1 0 342.421 1.527 20 5 EDBDRO C[C@@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000069440353 441936595 /nfs/dbraw/zinc/93/65/95/441936595.db2.gz BYVKGKKHLULLGD-LBPRGKRZSA-N 1 0 336.392 1.756 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cnccn1 ZINC000174649913 441949743 /nfs/dbraw/zinc/94/97/43/441949743.db2.gz RHRZJYVXQDGNSA-UHFFFAOYSA-N 1 0 345.359 1.854 20 5 EDBDRO COc1cc(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000150809232 441953980 /nfs/dbraw/zinc/95/39/80/441953980.db2.gz CTJOTIRGIOCHKP-SNVBAGLBSA-N 1 0 343.405 1.364 20 5 EDBDRO Cc1cnc(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000078660726 441959616 /nfs/dbraw/zinc/95/96/16/441959616.db2.gz UAZONWUZCRBTRP-OAHLLOKOSA-N 1 0 333.436 1.905 20 5 EDBDRO CCCCC[N@H+](CCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000120106953 442008948 /nfs/dbraw/zinc/00/89/48/442008948.db2.gz FCXZGWKMWUEOOL-UHFFFAOYSA-N 1 0 335.404 1.968 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000079032296 442010505 /nfs/dbraw/zinc/01/05/05/442010505.db2.gz HWFOIEMPJWXCSG-OAHLLOKOSA-N 1 0 348.403 1.171 20 5 EDBDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000126237088 442091856 /nfs/dbraw/zinc/09/18/56/442091856.db2.gz SKOLVGFNTAPMHX-LBPRGKRZSA-N 1 0 334.376 1.042 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000163089470 442142459 /nfs/dbraw/zinc/14/24/59/442142459.db2.gz WSEAMAAJIVFALA-NWDGAFQWSA-N 1 0 337.376 1.947 20 5 EDBDRO C[C@H]1C[NH2+]CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000163590019 442175559 /nfs/dbraw/zinc/17/55/59/442175559.db2.gz HQWVYVDQHBDVTM-QMMMGPOBSA-N 1 0 328.166 1.791 20 5 EDBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1(O)CCCC1 ZINC000152173886 442176914 /nfs/dbraw/zinc/17/69/14/442176914.db2.gz XKEULGRDHZFJNA-UHFFFAOYSA-N 1 0 333.388 1.721 20 5 EDBDRO COC(=O)[C@H](C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000152074354 442160998 /nfs/dbraw/zinc/16/09/98/442160998.db2.gz PLOJCFLSZOCMQM-IUODEOHRSA-N 1 0 332.360 1.931 20 5 EDBDRO Cc1nn(C)c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000128562533 442275265 /nfs/dbraw/zinc/27/52/65/442275265.db2.gz KEPOAACYOAKOBE-SNVBAGLBSA-N 1 0 337.405 1.731 20 5 EDBDRO CC[N@H+](CCNC(=O)NCCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000171155833 442320655 /nfs/dbraw/zinc/32/06/55/442320655.db2.gz SBWJNFQVIWYBCI-UHFFFAOYSA-N 1 0 335.408 1.790 20 5 EDBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000130650623 442352736 /nfs/dbraw/zinc/35/27/36/442352736.db2.gz FMLBLBLPOYZGJQ-MBNYWOFBSA-N 1 0 348.403 1.864 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@H](C)[NH2+]1 ZINC000153969429 442313914 /nfs/dbraw/zinc/31/39/14/442313914.db2.gz NJROOFMPWVSPDW-AOOOYVTPSA-N 1 0 330.344 1.259 20 5 EDBDRO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000156160167 442451897 /nfs/dbraw/zinc/45/18/97/442451897.db2.gz QOPFDIIHZVIIAZ-RKDXNWHRSA-N 1 0 333.797 1.749 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H](C)OC)c([N+](=O)[O-])c1 ZINC000191710520 442495697 /nfs/dbraw/zinc/49/56/97/442495697.db2.gz MRRSMQWRMMQOEF-DCAQKATOSA-N 1 0 325.365 1.943 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000191762735 442506828 /nfs/dbraw/zinc/50/68/28/442506828.db2.gz LGVQCMVPHGEIJP-VXGBXAGGSA-N 1 0 339.396 1.040 20 5 EDBDRO [NH3+]CCN(Cc1ccccc1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000191929197 442541509 /nfs/dbraw/zinc/54/15/09/442541509.db2.gz DCBMGDQVNCBTSL-UHFFFAOYSA-N 1 0 349.412 1.886 20 5 EDBDRO CC(C)[C@H]([NH3+])CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000157129192 442552825 /nfs/dbraw/zinc/55/28/25/442552825.db2.gz PFMPCRHNFHSPBL-GFCCVEGCSA-N 1 0 344.209 1.999 20 5 EDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1COc2ccccc2O1 ZINC000172719130 442526462 /nfs/dbraw/zinc/52/64/62/442526462.db2.gz ODHAXANYJQHGFW-CQSZACIVSA-N 1 0 332.360 1.953 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191861297 442527250 /nfs/dbraw/zinc/52/72/50/442527250.db2.gz LJUYAJGNJVNURF-CYBMUJFWSA-N 1 0 341.433 1.974 20 5 EDBDRO COC(=O)C[C@@H]1CCCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000179124123 442576997 /nfs/dbraw/zinc/57/69/97/442576997.db2.gz LFHUPHMQQNELJI-LBPRGKRZSA-N 1 0 335.360 1.869 20 5 EDBDRO CCOC(=O)C[C@](C)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000186684926 442591586 /nfs/dbraw/zinc/59/15/86/442591586.db2.gz RSIYRPDSWWPUQX-INIZCTEOSA-N 1 0 339.392 1.714 20 5 EDBDRO C[C@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000193038996 442707457 /nfs/dbraw/zinc/70/74/57/442707457.db2.gz WESYZHHFFPZJCL-SWLSCSKDSA-N 1 0 341.433 1.922 20 5 EDBDRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000180880151 442666611 /nfs/dbraw/zinc/66/66/11/442666611.db2.gz MBNKOIFVDSLVDW-LLVKDONJSA-N 1 0 345.396 1.887 20 5 EDBDRO C[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000193573144 442754798 /nfs/dbraw/zinc/75/47/98/442754798.db2.gz YSSGJNWWRWDKBE-GFCCVEGCSA-N 1 0 344.371 1.946 20 5 EDBDRO COc1ccc(NC(=O)CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000193652446 442764088 /nfs/dbraw/zinc/76/40/88/442764088.db2.gz OBLGBILUHUFVQK-TXEJJXNPSA-N 1 0 334.376 1.035 20 5 EDBDRO C[N@H+](CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000265432723 442770741 /nfs/dbraw/zinc/77/07/41/442770741.db2.gz ZREZORYXHBVVOM-UHFFFAOYSA-N 1 0 340.767 1.397 20 5 EDBDRO COc1cc(C(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000194019165 442829706 /nfs/dbraw/zinc/82/97/06/442829706.db2.gz TXVAAYGFMPAIDT-VXGBXAGGSA-N 1 0 337.376 1.131 20 5 EDBDRO C[C@@H](CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[N@H+](C)C1CC1 ZINC000183010026 442864505 /nfs/dbraw/zinc/86/45/05/442864505.db2.gz VCKYWOHIARJGEE-ZBEGNZNMSA-N 1 0 346.387 1.687 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268158772 442876082 /nfs/dbraw/zinc/87/60/82/442876082.db2.gz IVDFTSCRIYJCQV-FZMZJTMJSA-N 1 0 346.387 1.441 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000268201748 442897320 /nfs/dbraw/zinc/89/73/20/442897320.db2.gz GHFMFMFXWSPJBQ-RISCZKNCSA-N 1 0 327.406 1.474 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000248590521 442903863 /nfs/dbraw/zinc/90/38/63/442903863.db2.gz GZZJAJHFNLBTOT-FPMFFAJLSA-N 1 0 325.390 1.094 20 5 EDBDRO COC[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000265812750 442931013 /nfs/dbraw/zinc/93/10/13/442931013.db2.gz QIPRRNRXQCLUJD-LBPRGKRZSA-N 1 0 337.376 1.900 20 5 EDBDRO C[C@@H](O)C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](C)CO ZINC000248934065 442938982 /nfs/dbraw/zinc/93/89/82/442938982.db2.gz MWMMKVVMDXVHLD-CHWSQXEVSA-N 1 0 349.387 1.856 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000249381218 442970142 /nfs/dbraw/zinc/97/01/42/442970142.db2.gz RSLJUBOASKGSOZ-HIFRSBDPSA-N 1 0 346.387 1.937 20 5 EDBDRO C[C@H]1C[C@H](N(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCN1C ZINC000266185336 443049240 /nfs/dbraw/zinc/04/92/40/443049240.db2.gz ALIKKKORRIQALP-NWDGAFQWSA-N 1 0 341.433 1.917 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184637020 443052448 /nfs/dbraw/zinc/05/24/48/443052448.db2.gz VNGWMFTUIXUVMG-UONOGXRCSA-N 1 0 341.433 1.887 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)cc1OC ZINC000296870634 318732123 /nfs/dbraw/zinc/73/21/23/318732123.db2.gz ACELRAGPVDODSO-ZYHUDNBSSA-N 1 0 337.376 1.954 20 5 EDBDRO Cc1nccn1CCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298171814 318797126 /nfs/dbraw/zinc/79/71/26/318797126.db2.gz UKIYNCPNRZTCJC-UHFFFAOYSA-N 1 0 330.392 1.707 20 5 EDBDRO Cc1cnc([C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)s1 ZINC000185276343 443174153 /nfs/dbraw/zinc/17/41/53/443174153.db2.gz DRTULNXBYRRYKX-STQMWFEESA-N 1 0 337.405 1.658 20 5 EDBDRO CC(C)(C(=O)NCCCN1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000269100371 443197466 /nfs/dbraw/zinc/19/74/66/443197466.db2.gz AVXLWWMCNNZQCH-UHFFFAOYSA-N 1 0 334.420 1.284 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)c1C ZINC000262411528 443193330 /nfs/dbraw/zinc/19/33/30/443193330.db2.gz DEOGBVBORCAHTB-ZDUSSCGKSA-N 1 0 327.406 1.569 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@](C)(C[NH3+])C2)cc1C ZINC000262451156 443195142 /nfs/dbraw/zinc/19/51/42/443195142.db2.gz HUJQAUZOXNCQIB-CQSZACIVSA-N 1 0 327.406 1.571 20 5 EDBDRO CC[NH2+]CC1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000237005636 443156038 /nfs/dbraw/zinc/15/60/38/443156038.db2.gz ITOQYNRFNKONLD-UHFFFAOYSA-N 1 0 337.424 1.646 20 5 EDBDRO C[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000269215997 443236613 /nfs/dbraw/zinc/23/66/13/443236613.db2.gz QYAWTAHIWBBGGM-OCCSQVGLSA-N 1 0 348.403 1.219 20 5 EDBDRO Cc1nn(CCC(=O)NCCC[NH+]2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000263999522 443245061 /nfs/dbraw/zinc/24/50/61/443245061.db2.gz QUTYIDPFFFCPBC-UHFFFAOYSA-N 1 0 337.424 1.790 20 5 EDBDRO [NH3+]CCC1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000387329707 319131378 /nfs/dbraw/zinc/13/13/78/319131378.db2.gz USZRVUZXUMHYDI-UHFFFAOYSA-N 1 0 327.406 1.485 20 5 EDBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000413469316 319269286 /nfs/dbraw/zinc/26/92/86/319269286.db2.gz KAAMEAJACCDFAS-CVEARBPZSA-N 1 0 344.371 1.671 20 5 EDBDRO C[C@]1(C(N)=O)CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000185880479 443275522 /nfs/dbraw/zinc/27/55/22/443275522.db2.gz QWNJAMZAVUORTA-XJKSGUPXSA-N 1 0 337.376 1.064 20 5 EDBDRO [NH3+][C@@H]1CCCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 ZINC000191367101 443285434 /nfs/dbraw/zinc/28/54/34/443285434.db2.gz XCMYVICHGRGGDX-LLVKDONJSA-N 1 0 348.359 1.233 20 5 EDBDRO CC[C@@H](NC(=O)C(=O)NCC1([NH3+])CCC1)c1cccc([N+](=O)[O-])c1 ZINC000419173991 319566739 /nfs/dbraw/zinc/56/67/39/319566739.db2.gz VXEVMBCFMDVJFD-CYBMUJFWSA-N 1 0 334.376 1.160 20 5 EDBDRO CC(C)(C)[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000278578166 443366310 /nfs/dbraw/zinc/36/63/10/443366310.db2.gz CMJRMQDJHLHSIC-ZDUSSCGKSA-N 1 0 330.406 1.365 20 5 EDBDRO CC(C)c1n[nH]c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000269621320 443368762 /nfs/dbraw/zinc/36/87/62/443368762.db2.gz UAXFBBPKGKZEMS-NSHDSACASA-N 1 0 339.396 1.018 20 5 EDBDRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000278721875 443413852 /nfs/dbraw/zinc/41/38/52/443413852.db2.gz KUTIKBIQWKSNQZ-TUKIKUTGSA-N 1 0 337.376 1.705 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(CCCO)CC2)c1 ZINC000272877927 443476155 /nfs/dbraw/zinc/47/61/55/443476155.db2.gz WEPMPZOTDVDGRZ-MRXNPFEDSA-N 1 0 338.404 1.819 20 5 EDBDRO C[NH+](C)CCCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000264864791 443458237 /nfs/dbraw/zinc/45/82/37/443458237.db2.gz FRUJWXQXZQJTEK-UHFFFAOYSA-N 1 0 331.376 1.852 20 5 EDBDRO Cn1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000422967094 319742563 /nfs/dbraw/zinc/74/25/63/319742563.db2.gz SIGBRRQCMMCWDU-CYBMUJFWSA-N 1 0 343.387 1.725 20 5 EDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000265015634 443509454 /nfs/dbraw/zinc/50/94/54/443509454.db2.gz IAPGOVBOIWODQL-VXGBXAGGSA-N 1 0 327.406 1.656 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000267686837 443540656 /nfs/dbraw/zinc/54/06/56/443540656.db2.gz QLRPDOYHXVNYPU-WCQYABFASA-N 1 0 341.433 1.775 20 5 EDBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@@H](C)C1 ZINC000265175174 443559356 /nfs/dbraw/zinc/55/93/56/443559356.db2.gz CGHHFDAJOMXBQT-RYUDHWBXSA-N 1 0 338.412 1.516 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC1=CC[N@H+](C)CC1 ZINC000272282193 443578411 /nfs/dbraw/zinc/57/84/11/443578411.db2.gz UFQIOJNYMNWMGS-UHFFFAOYSA-N 1 0 325.390 1.443 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000429421551 319929144 /nfs/dbraw/zinc/92/91/44/319929144.db2.gz FMMPRQNBUBIWCI-JTQLQIEISA-N 1 0 330.344 1.530 20 5 EDBDRO CC[NH+](CC)CC[C@@H](CO)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000439129809 320040495 /nfs/dbraw/zinc/04/04/95/320040495.db2.gz CPXCBQYXKUWJOR-JTQLQIEISA-N 1 0 327.410 1.809 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000440335629 320071788 /nfs/dbraw/zinc/07/17/88/320071788.db2.gz GHVSAOAGIWRYLO-NWDGAFQWSA-N 1 0 327.406 1.570 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCCCN1CCO ZINC000449390337 320187793 /nfs/dbraw/zinc/18/77/93/320187793.db2.gz GJGOUJQRXMMKGP-MRXNPFEDSA-N 1 0 337.420 1.930 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000457139367 320320284 /nfs/dbraw/zinc/32/02/84/320320284.db2.gz YFJJGZBSBUSDNN-AWEZNQCLSA-N 1 0 334.420 1.972 20 5 EDBDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000280390790 443710782 /nfs/dbraw/zinc/71/07/82/443710782.db2.gz WWWNUHHOVKELKE-ZYHUDNBSSA-N 1 0 338.360 1.853 20 5 EDBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000276505100 443726173 /nfs/dbraw/zinc/72/61/73/443726173.db2.gz YOGWXSKGZQDKMM-VXGBXAGGSA-N 1 0 349.387 1.661 20 5 EDBDRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)C1CC1 ZINC000298270433 443735498 /nfs/dbraw/zinc/73/54/98/443735498.db2.gz WKVJOLLWRBSMMT-UHFFFAOYSA-N 1 0 348.403 1.751 20 5 EDBDRO Cc1cc(OCC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000280966565 443785447 /nfs/dbraw/zinc/78/54/47/443785447.db2.gz ITECFFZLLRLWDV-BBRMVZONSA-N 1 0 333.388 1.835 20 5 EDBDRO CCN1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000288476015 443892479 /nfs/dbraw/zinc/89/24/79/443892479.db2.gz OYZTYSKBWOABDN-NSHDSACASA-N 1 0 337.376 1.778 20 5 EDBDRO CCOc1cc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)ccc1[N+](=O)[O-] ZINC000276848666 443850893 /nfs/dbraw/zinc/85/08/93/443850893.db2.gz DJACCRPIDJPBSY-UHFFFAOYSA-N 1 0 348.359 1.168 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000285310899 443937414 /nfs/dbraw/zinc/93/74/14/443937414.db2.gz QMFNQTBZPCUTGK-ZWOPJXCPSA-N 1 0 331.372 1.540 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000277231533 443944636 /nfs/dbraw/zinc/94/46/36/443944636.db2.gz SVQZKOXERRCEPG-NSHDSACASA-N 1 0 342.421 1.163 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H](O)CC1 ZINC000293071662 443917831 /nfs/dbraw/zinc/91/78/31/443917831.db2.gz IZGBTAGBQRDFHS-WCQYABFASA-N 1 0 337.376 1.777 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000293261960 443966693 /nfs/dbraw/zinc/96/66/93/443966693.db2.gz PXWAALHWRVLEKY-QGZVFWFLSA-N 1 0 346.387 1.396 20 5 EDBDRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000281686521 443978764 /nfs/dbraw/zinc/97/87/64/443978764.db2.gz YRUPSIGNAPAXDQ-UHFFFAOYSA-N 1 0 345.396 1.840 20 5 EDBDRO COCC[N@@H+]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000299240775 443992518 /nfs/dbraw/zinc/99/25/18/443992518.db2.gz KTIBUVUVOGSMNP-VMPITWQZSA-N 1 0 333.388 1.789 20 5 EDBDRO C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000548043489 320858095 /nfs/dbraw/zinc/85/80/95/320858095.db2.gz SBRDMTLTNPJZGR-GFCCVEGCSA-N 1 0 327.406 1.499 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[C@H]2C1 ZINC000285574594 444033939 /nfs/dbraw/zinc/03/39/39/444033939.db2.gz BBIUVSIGBMVHIG-HOTGVXAUSA-N 1 0 344.371 1.621 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000299439888 444046814 /nfs/dbraw/zinc/04/68/14/444046814.db2.gz YDLQZFIWMSHSCP-GFCCVEGCSA-N 1 0 334.376 1.218 20 5 EDBDRO COc1cc(NCCC[N@H+](C)CCN(C)C)c([N+](=O)[O-])cc1OC ZINC000289107136 444054305 /nfs/dbraw/zinc/05/43/05/444054305.db2.gz PWRCYRFLPSZHHE-UHFFFAOYSA-N 1 0 340.424 1.907 20 5 EDBDRO CN(Cc1nccc(N)n1)[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000282056122 444073872 /nfs/dbraw/zinc/07/38/72/444073872.db2.gz YDBXCAFRZBWYGB-SECBINFHSA-N 1 0 335.393 1.134 20 5 EDBDRO Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1[N+](=O)[O-] ZINC000289209680 444077410 /nfs/dbraw/zinc/07/74/10/444077410.db2.gz BWDRJKQETUCXFU-SUMWQHHRSA-N 1 0 346.387 1.856 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000560983956 321030058 /nfs/dbraw/zinc/03/00/58/321030058.db2.gz CVGJAMVFKDQYMG-UHFFFAOYSA-N 1 0 334.376 1.212 20 5 EDBDRO CCCN1C[C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1=O ZINC000563008070 321087466 /nfs/dbraw/zinc/08/74/66/321087466.db2.gz RLJXWIUGIAJLML-ZDUSSCGKSA-N 1 0 348.403 1.772 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)CCNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000285734450 444090638 /nfs/dbraw/zinc/09/06/38/444090638.db2.gz KQCWLYMRHCYDDR-JKSUJKDBSA-N 1 0 348.403 1.328 20 5 EDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COC[C@H]1CCCO1 ZINC000565672900 321197142 /nfs/dbraw/zinc/19/71/42/321197142.db2.gz NDRJDYRCIVXGGP-HZPDHXFCSA-N 1 0 338.404 1.626 20 5 EDBDRO CS[C@H](CO)[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567877546 321264555 /nfs/dbraw/zinc/26/45/55/321264555.db2.gz PXCBBLQHGNAVGE-JTNHKYCSSA-N 1 0 330.406 1.037 20 5 EDBDRO C[C@H]1Cc2ccccc2N1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570037073 321335324 /nfs/dbraw/zinc/33/53/24/321335324.db2.gz MCKKCLGWCQKSRX-BBRMVZONSA-N 1 0 345.403 1.193 20 5 EDBDRO CC[NH+]1CCC(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000571273808 321382220 /nfs/dbraw/zinc/38/22/20/321382220.db2.gz UAAVGEXHZXLLNT-UHFFFAOYSA-N 1 0 327.406 1.605 20 5 EDBDRO COc1cc(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)cc([N+](=O)[O-])c1C ZINC000573116167 321443724 /nfs/dbraw/zinc/44/37/24/321443724.db2.gz RLZOQIRIECOTLC-QGZVFWFLSA-N 1 0 349.387 1.098 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000573444342 321454397 /nfs/dbraw/zinc/45/43/97/321454397.db2.gz CHPLELHGFUNJKH-TUAOUCFPSA-N 1 0 336.392 1.322 20 5 EDBDRO COC(=O)c1cc(NC[C@@H](C)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000301241375 444157108 /nfs/dbraw/zinc/15/71/08/444157108.db2.gz OKPPJCXGIYSXDD-GFCCVEGCSA-N 1 0 336.392 1.429 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301542872 444178771 /nfs/dbraw/zinc/17/87/71/444178771.db2.gz NZZPMCFYGWHGBR-NWDGAFQWSA-N 1 0 331.376 1.379 20 5 EDBDRO C[NH+](C)[C@H]1CC[C@@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301915731 444197160 /nfs/dbraw/zinc/19/71/60/444197160.db2.gz GPUDPEVHOCMQAY-MNOVXSKESA-N 1 0 327.406 1.893 20 5 EDBDRO CC[NH+]1CCN([C@@H]2CCN(c3cc(CO)ccc3[N+](=O)[O-])C2)CC1 ZINC000302062836 444202610 /nfs/dbraw/zinc/20/26/10/444202610.db2.gz SOWLGJJSZCRRTR-OAHLLOKOSA-N 1 0 334.420 1.303 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000302104758 444204221 /nfs/dbraw/zinc/20/42/21/444204221.db2.gz RMZOZEDUZBIRLA-VXGBXAGGSA-N 1 0 337.376 1.273 20 5 EDBDRO COc1ccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000290139591 444247115 /nfs/dbraw/zinc/24/71/15/444247115.db2.gz NTYUXQQJTLUJIO-LBPRGKRZSA-N 1 0 328.390 1.518 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000576825128 321599704 /nfs/dbraw/zinc/59/97/04/321599704.db2.gz JWBGVKYFCRFRAY-YWVKMMECSA-N 1 0 326.401 1.069 20 5 EDBDRO C[C@H](O)[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000305660323 444271710 /nfs/dbraw/zinc/27/17/10/444271710.db2.gz RDJTWEGZXINLIV-XEZPLFJOSA-N 1 0 333.388 1.793 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000577499193 321658369 /nfs/dbraw/zinc/65/83/69/321658369.db2.gz OZFDQEKKBNQYNM-UHFFFAOYSA-N 1 0 341.433 1.961 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000318404672 444319249 /nfs/dbraw/zinc/31/92/49/444319249.db2.gz JVIIRYDLQCTWAV-WCQYABFASA-N 1 0 325.390 1.276 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000318914826 444321562 /nfs/dbraw/zinc/32/15/62/444321562.db2.gz MMGVKSICZVGSOR-JTQLQIEISA-N 1 0 347.824 1.977 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000319277835 444323397 /nfs/dbraw/zinc/32/33/97/444323397.db2.gz DXVYHUJQOOIHAQ-KOLCDFICSA-N 1 0 331.369 1.482 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000319605439 444325167 /nfs/dbraw/zinc/32/51/67/444325167.db2.gz MSDHEBRTMUFIDY-CYBMUJFWSA-N 1 0 339.417 1.689 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000322355667 444339742 /nfs/dbraw/zinc/33/97/42/444339742.db2.gz AGEDZSSUXVPEJK-CHWSQXEVSA-N 1 0 341.433 1.960 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000297878746 444346161 /nfs/dbraw/zinc/34/61/61/444346161.db2.gz NGVJENKNYRNPBX-UHFFFAOYSA-N 1 0 334.376 1.361 20 5 EDBDRO CC[C@H]1CN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000325795116 444369424 /nfs/dbraw/zinc/36/94/24/444369424.db2.gz OFRCDSPVUSHQFS-CMPLNLGQSA-N 1 0 337.376 1.811 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000579238759 321906440 /nfs/dbraw/zinc/90/64/40/321906440.db2.gz WCXUVPVCGXPOIM-ZWNOBZJWSA-N 1 0 327.406 1.434 20 5 EDBDRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000340615503 444461227 /nfs/dbraw/zinc/46/12/27/444461227.db2.gz DHYJWQMPVOGKOQ-FSBGKCOPSA-N 1 0 346.387 1.569 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H](CO)c2ccccc2)c1 ZINC000580834328 322101601 /nfs/dbraw/zinc/10/16/01/322101601.db2.gz NVTYCJYTIUPCLX-NVXWUHKLSA-N 1 0 346.383 1.700 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000581000836 322122652 /nfs/dbraw/zinc/12/26/52/322122652.db2.gz FZAIVBIHIOFAPX-AWEZNQCLSA-N 1 0 334.376 1.510 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000581459570 322179087 /nfs/dbraw/zinc/17/90/87/322179087.db2.gz YYJTUDXVFXDGNK-LBPRGKRZSA-N 1 0 348.403 1.554 20 5 EDBDRO COCCN1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000581528089 322186944 /nfs/dbraw/zinc/18/69/44/322186944.db2.gz CQWPEPYNFRZIJJ-KKUMJFAQSA-N 1 0 337.424 1.585 20 5 EDBDRO CCS(=O)(=O)N1CC(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000581954014 322238282 /nfs/dbraw/zinc/23/82/82/322238282.db2.gz GQXAEVHOEUMMAC-AWEZNQCLSA-N 1 0 339.417 1.453 20 5 EDBDRO COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)[NH+](C)C)c1 ZINC000338101645 444516441 /nfs/dbraw/zinc/51/64/41/444516441.db2.gz XJYHJJQWJRZTMC-OAHLLOKOSA-N 1 0 346.387 1.975 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]CC2=CCCOC2)cc1[N+](=O)[O-] ZINC000342270228 444603771 /nfs/dbraw/zinc/60/37/71/444603771.db2.gz ANDZMWKJPQTFKJ-UHFFFAOYSA-N 1 0 336.344 1.583 20 5 EDBDRO CNC(=O)N[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000342354933 444650744 /nfs/dbraw/zinc/65/07/44/444650744.db2.gz NCSDQVKTTGFPNB-LBPRGKRZSA-N 1 0 349.391 1.235 20 5 EDBDRO CO[C@@H]1C[C@@H](CN(C)c2ncnc3cccc([N+](=O)[O-])c32)[N@H+](C)C1 ZINC000343884089 444645181 /nfs/dbraw/zinc/64/51/81/444645181.db2.gz CGFMRCMBZMUAPB-NWDGAFQWSA-N 1 0 331.376 1.693 20 5 EDBDRO CO[C@@H]1C[C@@H](C(N)=O)N(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000344006720 444723706 /nfs/dbraw/zinc/72/37/06/444723706.db2.gz NLXFIPVJISYOEL-DOMZBBRYSA-N 1 0 345.355 1.929 20 5 EDBDRO COC(=O)c1cn(CC[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)nn1 ZINC000341280936 444759991 /nfs/dbraw/zinc/75/99/91/444759991.db2.gz WTZKHMWEUJIHOO-WQLSENKSSA-N 1 0 345.359 1.666 20 5 EDBDRO CS[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000330534638 445022238 /nfs/dbraw/zinc/02/22/38/445022238.db2.gz IVKIFKJHXZPTGX-OLZOCXBDSA-N 1 0 327.381 1.852 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000337214551 444988260 /nfs/dbraw/zinc/98/82/60/444988260.db2.gz FJVYNIXMSCEZHF-GRYCIOLGSA-N 1 0 337.376 1.945 20 5 EDBDRO Cc1n[nH]c(C(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000343061094 445034601 /nfs/dbraw/zinc/03/46/01/445034601.db2.gz CBHZQAQZIKWQPJ-CHWSQXEVSA-N 1 0 329.360 1.454 20 5 EDBDRO C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000339036797 445000933 /nfs/dbraw/zinc/00/09/33/445000933.db2.gz QLDBGNZLVYZMFF-ZDUSSCGKSA-N 1 0 337.420 1.825 20 5 EDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000330888713 445181725 /nfs/dbraw/zinc/18/17/25/445181725.db2.gz GGWNAQFEHUFPRD-ZDUSSCGKSA-N 1 0 337.424 1.859 20 5 EDBDRO C[NH+](C)Cc1cccc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c1 ZINC000343240124 445155204 /nfs/dbraw/zinc/15/52/04/445155204.db2.gz WOSGALUOEBRAPE-UHFFFAOYSA-N 1 0 330.344 1.457 20 5 EDBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000346159016 445206817 /nfs/dbraw/zinc/20/68/17/445206817.db2.gz CYFAWZLKFGYJQI-YDHLFZDLSA-N 1 0 349.435 1.715 20 5 EDBDRO Cc1nn(C)c(C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC000343454171 445225783 /nfs/dbraw/zinc/22/57/83/445225783.db2.gz ICYRWJAMMDEXQI-SSDOTTSWSA-N 1 0 336.377 1.162 20 5 EDBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000343499144 445234557 /nfs/dbraw/zinc/23/45/57/445234557.db2.gz HKJVBJGMJGCFHX-QWHCGFSZSA-N 1 0 348.403 1.912 20 5 EDBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347430335 445237979 /nfs/dbraw/zinc/23/79/79/445237979.db2.gz NTWYEEJJLFTMEA-ZDUSSCGKSA-N 1 0 345.403 2.307 20 5 EDBDRO C[N@H+](CCCO)C1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347459652 445239133 /nfs/dbraw/zinc/23/91/33/445239133.db2.gz FZHIIJNAXSHVRM-UHFFFAOYSA-N 1 0 345.403 1.821 20 5 EDBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000347938925 445256741 /nfs/dbraw/zinc/25/67/41/445256741.db2.gz VHEMGOKLTDDHIS-STQMWFEESA-N 1 0 346.391 1.327 20 5 EDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000357002545 445370491 /nfs/dbraw/zinc/37/04/91/445370491.db2.gz NPASWXNVFSCZKY-CHWSQXEVSA-N 1 0 332.404 1.508 20 5 EDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000357040401 445389911 /nfs/dbraw/zinc/38/99/11/445389911.db2.gz PEUGFZFJXRRYEB-STQMWFEESA-N 1 0 332.404 1.508 20 5 EDBDRO CN(C)S(=O)(=O)c1ccc(NC[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000357153011 445457072 /nfs/dbraw/zinc/45/70/72/445457072.db2.gz UUZYAHRUCRYSMA-LLVKDONJSA-N 1 0 342.421 1.209 20 5 EDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000357291278 445529433 /nfs/dbraw/zinc/52/94/33/445529433.db2.gz OKEKWGZMZBYZAB-ZDUSSCGKSA-N 1 0 348.403 1.832 20 5 EDBDRO [NH3+][C@H]1CCc2ncc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000349048522 445487319 /nfs/dbraw/zinc/48/73/19/445487319.db2.gz HOVOEWRPAXVNGM-LBPRGKRZSA-N 1 0 342.355 1.823 20 5 EDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000362827403 445568991 /nfs/dbraw/zinc/56/89/91/445568991.db2.gz TYTIUYJWGDMWQZ-CJNGLKHVSA-N 1 0 332.404 1.552 20 5 EDBDRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000356050683 445590445 /nfs/dbraw/zinc/59/04/45/445590445.db2.gz XYMIGHMMTVIWLS-OAHLLOKOSA-N 1 0 344.371 1.072 20 5 EDBDRO COc1ccc(CNC(=O)NCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000356178227 445663396 /nfs/dbraw/zinc/66/33/96/445663396.db2.gz DCRVRLHILBKFPU-UHFFFAOYSA-N 1 0 336.392 1.744 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363259297 445743662 /nfs/dbraw/zinc/74/36/62/445743662.db2.gz MYXUEAQLSPBBLE-MELADBBJSA-N 1 0 333.392 1.042 20 5 EDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000354006238 445850474 /nfs/dbraw/zinc/85/04/74/445850474.db2.gz LIAJZEPKIUUDOH-ZDUSSCGKSA-N 1 0 343.387 1.947 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[N@H+](C)CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000354011266 445853668 /nfs/dbraw/zinc/85/36/68/445853668.db2.gz ZJKWQULAOPPGFP-LLVKDONJSA-N 1 0 335.360 1.548 20 5 EDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000365963432 445931190 /nfs/dbraw/zinc/93/11/90/445931190.db2.gz QTRMYNNHIUWHSX-IAGOWNOFSA-N 1 0 347.415 1.585 20 5 EDBDRO CO[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C[NH3+])C1 ZINC000359050670 445911160 /nfs/dbraw/zinc/91/11/60/445911160.db2.gz DSCRTHOAKDOZRD-KGLIPLIRSA-N 1 0 336.392 1.280 20 5 EDBDRO O=C(N1CC[C@H]2CC[NH2+][C@H]2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000373057013 445998442 /nfs/dbraw/zinc/99/84/42/445998442.db2.gz NAPNLKWCNMHKEE-MFKMUULPSA-N 1 0 325.315 1.897 20 5 EDBDRO Cc1cc(OCC(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000369175585 445971566 /nfs/dbraw/zinc/97/15/66/445971566.db2.gz WVEISVKAIDYZOD-XJKSGUPXSA-N 1 0 333.388 1.835 20 5 EDBDRO O=C(CN1CC[NH2+]C[C@@H]1C(F)F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000582666695 325898928 /nfs/dbraw/zinc/89/89/28/325898928.db2.gz YOXNHRCFBZQKOJ-LLVKDONJSA-N 1 0 348.737 1.726 20 5 EDBDRO CC(C)N(C)C[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583627032 326106789 /nfs/dbraw/zinc/10/67/89/326106789.db2.gz YQMQTLQLKLMOSJ-ZDUSSCGKSA-N 1 0 343.449 1.687 20 5 EDBDRO CN(C(=O)CN1CC[C@@H]2CC[N@H+](C)C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000373143814 446056563 /nfs/dbraw/zinc/05/65/63/446056563.db2.gz YDXIODFGMSFKOR-BBRMVZONSA-N 1 0 332.404 1.584 20 5 EDBDRO COCC[NH2+]C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000583819826 326146668 /nfs/dbraw/zinc/14/66/68/326146668.db2.gz PGASFVAXQGTFPZ-UHFFFAOYSA-N 1 0 340.355 1.157 20 5 EDBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000584167248 326212286 /nfs/dbraw/zinc/21/22/86/326212286.db2.gz JSRLGABVVWESOB-AWEZNQCLSA-N 1 0 349.387 1.874 20 5 EDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366190926 446073614 /nfs/dbraw/zinc/07/36/14/446073614.db2.gz IKVVXXSKWBEWDC-ZNNBYXKUSA-N 1 0 345.399 1.978 20 5 EDBDRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000351504056 446110040 /nfs/dbraw/zinc/11/00/40/446110040.db2.gz UISUSTWHYPKQGH-TVQRCGJNSA-N 1 0 338.339 1.081 20 5 EDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000359348797 446166797 /nfs/dbraw/zinc/16/67/97/446166797.db2.gz VHFZLPMANUNPQU-ZDUSSCGKSA-N 1 0 333.392 1.543 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000365314837 446142761 /nfs/dbraw/zinc/14/27/61/446142761.db2.gz DCVPFXYIERYUAF-CMPLNLGQSA-N 1 0 335.360 1.436 20 5 EDBDRO C[C@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@H]1CO ZINC000362083614 446201887 /nfs/dbraw/zinc/20/18/87/446201887.db2.gz BAGFCGVNOVOAAB-NWDGAFQWSA-N 1 0 335.360 1.453 20 5 EDBDRO C[N@@H+]1CC[C@]2(CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)C1 ZINC000366479202 446231001 /nfs/dbraw/zinc/23/10/01/446231001.db2.gz GTADOYMPAJCTEQ-KRWDZBQOSA-N 1 0 333.388 1.989 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000373560168 446261104 /nfs/dbraw/zinc/26/11/04/446261104.db2.gz HWIWMVDADXUBAB-ZIAGYGMSSA-N 1 0 335.408 1.480 20 5 EDBDRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)c1n[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC000373623733 446283579 /nfs/dbraw/zinc/28/35/79/446283579.db2.gz GUEULPUYQKDBGZ-CZUORRHYSA-N 1 0 329.360 1.815 20 5 EDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCCN1c1cccnn1 ZINC000376229032 446391346 /nfs/dbraw/zinc/39/13/46/446391346.db2.gz RWWIFCGPGOPRDF-CYBMUJFWSA-N 1 0 331.380 1.182 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000374881230 446433955 /nfs/dbraw/zinc/43/39/55/446433955.db2.gz NLFBDMNGTGMFAY-HIFRSBDPSA-N 1 0 339.417 1.451 20 5 EDBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000420254347 446434412 /nfs/dbraw/zinc/43/44/12/446434412.db2.gz CZWYRMVSRKQWJF-JKSUJKDBSA-N 1 0 346.431 1.615 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418081826 446435039 /nfs/dbraw/zinc/43/50/39/446435039.db2.gz HTGHDAUBCOSJSC-WDEREUQCSA-N 1 0 344.375 1.222 20 5 EDBDRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000411242348 446440485 /nfs/dbraw/zinc/44/04/85/446440485.db2.gz RNZWAPQKHCHHGT-LLVKDONJSA-N 1 0 334.376 1.441 20 5 EDBDRO CC1(C)C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000417978270 446405937 /nfs/dbraw/zinc/40/59/37/446405937.db2.gz DACPHUIFIYPAHO-LLVKDONJSA-N 1 0 328.390 1.526 20 5 EDBDRO NC(=O)[C@@]1(O)CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000366924573 446412947 /nfs/dbraw/zinc/41/29/47/446412947.db2.gz IMDUOLMRRDZWRH-CQSZACIVSA-N 1 0 345.302 1.008 20 5 EDBDRO COc1ccc(NC(=O)CCN2CC[NH2+][C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000420308969 446472137 /nfs/dbraw/zinc/47/21/37/446472137.db2.gz KYLFWPOVELUIGI-VXGBXAGGSA-N 1 0 336.392 1.614 20 5 EDBDRO C[C@@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)[C@H]1CCC[NH2+]C1 ZINC000418318039 446496884 /nfs/dbraw/zinc/49/68/84/446496884.db2.gz ZOKDVRQYAZPEGU-OLZOCXBDSA-N 1 0 348.403 1.887 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000452972547 446521886 /nfs/dbraw/zinc/52/18/86/446521886.db2.gz JBECWKABKPXXBQ-PWSUYJOCSA-N 1 0 341.314 1.972 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000376481771 446524226 /nfs/dbraw/zinc/52/42/26/446524226.db2.gz MHZJWMDSZKXJAV-ZIAGYGMSSA-N 1 0 346.387 1.585 20 5 EDBDRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000423503304 446556796 /nfs/dbraw/zinc/55/67/96/446556796.db2.gz KJULSEIJTHDOIJ-TZMCWYRMSA-N 1 0 345.359 1.202 20 5 EDBDRO [NH3+]C[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000420437337 446612216 /nfs/dbraw/zinc/61/22/16/446612216.db2.gz PUTCSKSOPVOMHX-HNNXBMFYSA-N 1 0 341.433 1.574 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000420440361 446615827 /nfs/dbraw/zinc/61/58/27/446615827.db2.gz CAIDPBLPGQSCEU-CMPLNLGQSA-N 1 0 327.406 1.569 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000420413472 446585874 /nfs/dbraw/zinc/58/58/74/446585874.db2.gz FDWAQHKSLFTWGT-GFCCVEGCSA-N 1 0 327.406 1.490 20 5 EDBDRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000420422960 446597720 /nfs/dbraw/zinc/59/77/20/446597720.db2.gz QQYLINRRGFPVKT-GFCCVEGCSA-N 1 0 341.433 1.526 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H](CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000420475762 446649052 /nfs/dbraw/zinc/64/90/52/446649052.db2.gz XKZUTRDSMZNWSB-ZIAGYGMSSA-N 1 0 341.433 1.574 20 5 EDBDRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420453811 446630053 /nfs/dbraw/zinc/63/00/53/446630053.db2.gz MKBUBFYHSQNRCN-HNNXBMFYSA-N 1 0 343.449 1.772 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000368086326 446632242 /nfs/dbraw/zinc/63/22/42/446632242.db2.gz WRSDGMJEMCWAAI-GXTWGEPZSA-N 1 0 346.387 1.300 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1(C)CC[NH2+]CC1 ZINC000420456157 446634545 /nfs/dbraw/zinc/63/45/45/446634545.db2.gz ZACCPLOLBMSISA-UHFFFAOYSA-N 1 0 327.406 1.632 20 5 EDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000418781779 446699918 /nfs/dbraw/zinc/69/99/18/446699918.db2.gz DHIHPHDCCUHPRN-NWDGAFQWSA-N 1 0 334.376 1.495 20 5 EDBDRO CC(C)(NC(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccccc1[N+](=O)[O-] ZINC000418794285 446706517 /nfs/dbraw/zinc/70/65/17/446706517.db2.gz RFDZOOFKHAKZDI-LBPRGKRZSA-N 1 0 336.392 1.508 20 5 EDBDRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423833012 446721280 /nfs/dbraw/zinc/72/12/80/446721280.db2.gz ZHWNAZNCZMASQC-HNNXBMFYSA-N 1 0 326.356 1.445 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(F)(c3cccnc3)CC2)c1 ZINC000375336747 446731739 /nfs/dbraw/zinc/73/17/39/446731739.db2.gz JXMDYEFYWCJJQY-HNNXBMFYSA-N 1 0 349.366 1.508 20 5 EDBDRO COc1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000420760953 446799142 /nfs/dbraw/zinc/79/91/42/446799142.db2.gz GRZVIVBUUBWJJW-LLVKDONJSA-N 1 0 343.405 1.318 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368312354 446778388 /nfs/dbraw/zinc/77/83/88/446778388.db2.gz LMMLFEGUFSEEIH-CQSZACIVSA-N 1 0 339.417 1.578 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423937876 446789366 /nfs/dbraw/zinc/78/93/66/446789366.db2.gz GWBCRHVAAKDODJ-ZIAGYGMSSA-N 1 0 333.388 1.964 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1C ZINC000420758416 446796345 /nfs/dbraw/zinc/79/63/45/446796345.db2.gz COUDMRKENFAUSR-CYBMUJFWSA-N 1 0 341.433 1.926 20 5 EDBDRO Cc1cccc(C(=O)N2CCC[N@H+](CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000368418997 446850889 /nfs/dbraw/zinc/85/08/89/446850889.db2.gz HSUGJEVCPBITQE-UHFFFAOYSA-N 1 0 335.404 1.822 20 5 EDBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)N1CCOCC1 ZINC000375498766 446851458 /nfs/dbraw/zinc/85/14/58/446851458.db2.gz MNNMGNFYOGGKBL-RHSMWYFYSA-N 1 0 347.415 1.564 20 5 EDBDRO C[NH+](C)C1(CNc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000419003684 446860907 /nfs/dbraw/zinc/86/09/07/446860907.db2.gz NNQTXGBZHCHGLZ-UHFFFAOYSA-N 1 0 348.403 1.573 20 5 EDBDRO CS(=O)(=O)CCCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000424295218 446866513 /nfs/dbraw/zinc/86/65/13/446866513.db2.gz MLFLGIWPPNWQIK-OLZOCXBDSA-N 1 0 344.437 1.689 20 5 EDBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3ncc([N+](=O)[O-])s3)C2)CC1 ZINC000375584820 446907707 /nfs/dbraw/zinc/90/77/07/446907707.db2.gz RVCPOCAJVNPUGH-GFCCVEGCSA-N 1 0 325.438 1.656 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000377197133 446985155 /nfs/dbraw/zinc/98/51/55/446985155.db2.gz PGZVXZYYMBHOJW-ARFHVFGLSA-N 1 0 336.388 1.965 20 5 EDBDRO CC[C@@H](NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000419172161 446988238 /nfs/dbraw/zinc/98/82/38/446988238.db2.gz UJTPRWUXOHWTDV-HUUCEWRRSA-N 1 0 348.403 1.502 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1C ZINC000413136156 447026732 /nfs/dbraw/zinc/02/67/32/447026732.db2.gz SPVYYZCQFMFLMR-UWVGGRQHSA-N 1 0 348.325 1.900 20 5 EDBDRO O=[N+]([O-])c1ccccc1CN1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000368681123 447030672 /nfs/dbraw/zinc/03/06/72/447030672.db2.gz UCWWZYIFDFNCSX-UHFFFAOYSA-N 1 0 335.404 1.254 20 5 EDBDRO CN(C)c1cc[nH+]cc1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444627636 447112011 /nfs/dbraw/zinc/11/20/11/447112011.db2.gz AVBKZFXQTBVFSY-UHFFFAOYSA-N 1 0 340.343 1.862 20 5 EDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419328007 447095352 /nfs/dbraw/zinc/09/53/52/447095352.db2.gz DHFOXXBGPRMGFO-VXGBXAGGSA-N 1 0 333.392 1.358 20 5 EDBDRO COc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000377480319 447151599 /nfs/dbraw/zinc/15/15/99/447151599.db2.gz CHNPVBWUQNAXOS-CHWSQXEVSA-N 1 0 335.360 1.196 20 5 EDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000421403279 447152161 /nfs/dbraw/zinc/15/21/61/447152161.db2.gz XAGNGOHYBXTHRA-FWLQQBITSA-N 1 0 328.376 1.979 20 5 EDBDRO COC(=O)c1cc(C)nc(NCC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000413432804 447179573 /nfs/dbraw/zinc/17/95/73/447179573.db2.gz CPUDWWBUTSZJDV-LBPRGKRZSA-N 1 0 336.392 2.229 20 5 EDBDRO CC1(C)CCC[N@H+](CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000445225083 447179892 /nfs/dbraw/zinc/17/98/92/447179892.db2.gz PVPZYQKGGOHDTK-UHFFFAOYSA-N 1 0 338.412 1.213 20 5 EDBDRO Cc1cc(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c(N)c([N+](=O)[O-])c1 ZINC000372722814 447246496 /nfs/dbraw/zinc/24/64/96/447246496.db2.gz ZRGOVLGLQHSGPQ-LBPRGKRZSA-N 1 0 336.392 1.014 20 5 EDBDRO CCNC(=O)[C@H]1Cc2ccccc2CN1CCn1cc([N+](=O)[O-])cn1 ZINC000425535930 447216504 /nfs/dbraw/zinc/21/65/04/447216504.db2.gz HYJVALOTJGRWRK-MRXNPFEDSA-N 1 0 343.387 1.354 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000447915555 447297646 /nfs/dbraw/zinc/29/76/46/447297646.db2.gz NBCQDAHXDHCKOU-LSDHHAIUSA-N 1 0 337.376 1.361 20 5 EDBDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000372739092 447259853 /nfs/dbraw/zinc/25/98/53/447259853.db2.gz IDUXKUIOZDBBIW-DZGCQCFKSA-N 1 0 334.380 1.031 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000421866076 447263860 /nfs/dbraw/zinc/26/38/60/447263860.db2.gz DEYNFCUJHOQYKV-CQSZACIVSA-N 1 0 335.404 1.740 20 5 EDBDRO CNC(=O)[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000426508340 447461643 /nfs/dbraw/zinc/46/16/43/447461643.db2.gz NIIFTKWQLKSKNQ-ABAIWWIYSA-N 1 0 336.392 1.672 20 5 EDBDRO C[NH+](C)C[C@@](C)(O)CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450398939 447476452 /nfs/dbraw/zinc/47/64/52/447476452.db2.gz BDWAEJXRSKSZKF-HNNXBMFYSA-N 1 0 336.417 2.443 20 5 EDBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000456891491 447477182 /nfs/dbraw/zinc/47/71/82/447477182.db2.gz FJHRSPIJFGLMOM-UHFFFAOYSA-N 1 0 349.435 1.323 20 5 EDBDRO COc1cc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000419970389 447521863 /nfs/dbraw/zinc/52/18/63/447521863.db2.gz BSYNDILNRCGUSE-HNNXBMFYSA-N 1 0 343.355 1.175 20 5 EDBDRO C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@H](C)[N@H+]1CCO ZINC000450796483 447579467 /nfs/dbraw/zinc/57/94/67/447579467.db2.gz QPXRLAICZDZMRC-AOOOYVTPSA-N 1 0 337.405 1.491 20 5 EDBDRO Cc1c(CC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000416317221 447571682 /nfs/dbraw/zinc/57/16/82/447571682.db2.gz WMJOZQOVNJTDDY-CHWSQXEVSA-N 1 0 335.404 1.359 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000416565301 447648813 /nfs/dbraw/zinc/64/88/13/447648813.db2.gz SPSXOTANUOEJAI-CYBMUJFWSA-N 1 0 341.433 1.913 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416429256 447598818 /nfs/dbraw/zinc/59/88/18/447598818.db2.gz XWJIGVVLFNSIGG-JSGCOSHPSA-N 1 0 341.433 1.782 20 5 EDBDRO C[C@@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000420177968 447656559 /nfs/dbraw/zinc/65/65/59/447656559.db2.gz AIUITQQKJFWONN-PSASIEDQSA-N 1 0 333.435 1.623 20 5 EDBDRO CCNC(=O)C(C)(C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000459587172 447715093 /nfs/dbraw/zinc/71/50/93/447715093.db2.gz LFNBNAYVEWBTRK-UHFFFAOYSA-N 1 0 336.392 1.736 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458228318 447749503 /nfs/dbraw/zinc/74/95/03/447749503.db2.gz SPVWFRWUSSIFIQ-UHFFFAOYSA-N 1 0 337.405 1.594 20 5 EDBDRO CC(C)[C@@](C)(C[NH3+])NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000430566590 447780769 /nfs/dbraw/zinc/78/07/69/447780769.db2.gz DASRUPIRKXUCGO-OAHLLOKOSA-N 1 0 338.364 1.225 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)CCC[NH3+] ZINC000431021596 447789904 /nfs/dbraw/zinc/78/99/04/447789904.db2.gz KLGMDEYHLJOPGH-UHFFFAOYSA-N 1 0 329.422 1.953 20 5 EDBDRO CCO[C@@H]1COC[C@H]1[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000451939023 447792433 /nfs/dbraw/zinc/79/24/33/447792433.db2.gz OXADUPHCDNLKEB-IUODEOHRSA-N 1 0 326.349 1.376 20 5 EDBDRO [NH3+][C@H]1CCCN(C(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000423107491 447806023 /nfs/dbraw/zinc/80/60/23/447806023.db2.gz SCXSVQZQXMGKGG-ZDUSSCGKSA-N 1 0 346.387 1.036 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569694022 447869582 /nfs/dbraw/zinc/86/95/82/447869582.db2.gz GKGIUVOGPAKDFO-KRWDZBQOSA-N 1 0 332.404 1.917 20 5 EDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000569695476 447869083 /nfs/dbraw/zinc/86/90/83/447869083.db2.gz AJPKXXATFBRFBU-IUCAKERBSA-N 1 0 340.405 1.028 20 5 EDBDRO COc1ccc(CC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000530767263 447952896 /nfs/dbraw/zinc/95/28/96/447952896.db2.gz LTXZMILINYRVEB-WCQYABFASA-N 1 0 333.388 1.887 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000530674225 447938135 /nfs/dbraw/zinc/93/81/35/447938135.db2.gz MRDFUEJPEXHFRA-NEPJUHHUSA-N 1 0 349.387 1.969 20 5 EDBDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[N@@H+]1C ZINC000525189923 447975383 /nfs/dbraw/zinc/97/53/83/447975383.db2.gz KLEBEJHBVVMONU-QWRGUYRKSA-N 1 0 328.394 1.093 20 5 EDBDRO C[C@H]1CC[N@H+](CCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000525307108 447994860 /nfs/dbraw/zinc/99/48/60/447994860.db2.gz SXXFDVXNLRZEQF-LBPRGKRZSA-N 1 0 327.406 1.356 20 5 EDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000531239061 448043941 /nfs/dbraw/zinc/04/39/41/448043941.db2.gz WXDZDHUNCFFVNQ-ZDUSSCGKSA-N 1 0 338.408 1.723 20 5 EDBDRO C[N@@H+]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1(C)C ZINC000571460521 448158046 /nfs/dbraw/zinc/15/80/46/448158046.db2.gz KNTITHMUCDPQTH-UHFFFAOYSA-N 1 0 327.331 1.968 20 5 EDBDRO CCC[C@H](C)[C@H](CO)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000514792037 448205107 /nfs/dbraw/zinc/20/51/07/448205107.db2.gz GDNBDIPRYYAOAJ-WFASDCNBSA-N 1 0 335.404 1.871 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)CC[C@@H]21 ZINC000532237963 448219359 /nfs/dbraw/zinc/21/93/59/448219359.db2.gz CLYCGBIMQWRUFF-YPMHNXCESA-N 1 0 347.371 1.880 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@@H]1CCC[NH2+]CC1 ZINC000591357162 448340919 /nfs/dbraw/zinc/34/09/19/448340919.db2.gz BPCZRUHZZNMNSZ-SNVBAGLBSA-N 1 0 332.364 1.412 20 5 EDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000591370592 448347240 /nfs/dbraw/zinc/34/72/40/448347240.db2.gz IHSOOSJKWPWKPF-VXGBXAGGSA-N 1 0 331.376 1.429 20 5 EDBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000591587602 448396537 /nfs/dbraw/zinc/39/65/37/448396537.db2.gz NXUINBCCMGNUEB-NWDGAFQWSA-N 1 0 333.369 1.622 20 5 EDBDRO CC1(C)C[NH2+]CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591678347 448446138 /nfs/dbraw/zinc/44/61/38/448446138.db2.gz POIGFWYZLBMXFL-UHFFFAOYSA-N 1 0 329.360 1.605 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N(C1CC1)C1CC[NH2+]CC1 ZINC000591680818 448449178 /nfs/dbraw/zinc/44/91/78/448449178.db2.gz KELINNFJKMKZSG-UHFFFAOYSA-N 1 0 347.371 1.723 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c(C)c1[N+](=O)[O-] ZINC000591684115 448450850 /nfs/dbraw/zinc/45/08/50/448450850.db2.gz AYDHHVRNFODACA-MRXNPFEDSA-N 1 0 335.408 1.400 20 5 EDBDRO COc1ccccc1C(C)(C)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591728129 448474145 /nfs/dbraw/zinc/47/41/45/448474145.db2.gz DSRWRPKMFYFBDG-CQSZACIVSA-N 1 0 348.403 1.728 20 5 EDBDRO COC1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000591756803 448482239 /nfs/dbraw/zinc/48/22/39/448482239.db2.gz JNSQOIFFTYLFRQ-UHFFFAOYSA-N 1 0 337.376 1.709 20 5 EDBDRO C[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[N@@H+](C2CCC2)C1 ZINC000578195434 448483052 /nfs/dbraw/zinc/48/30/52/448483052.db2.gz FXMRTAGFOVEXTF-GFCCVEGCSA-N 1 0 330.392 1.948 20 5 EDBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000591758897 448483603 /nfs/dbraw/zinc/48/36/03/448483603.db2.gz RSZXTIWNKSLMLP-SWLSCSKDSA-N 1 0 342.417 1.916 20 5 EDBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000566677624 448535409 /nfs/dbraw/zinc/53/54/09/448535409.db2.gz LVUIQGRBKXDHSW-WBVHZDCISA-N 1 0 333.388 1.492 20 5 EDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000539921138 448624943 /nfs/dbraw/zinc/62/49/43/448624943.db2.gz QRVZEZWNSAOLQV-LBPRGKRZSA-N 1 0 339.392 1.426 20 5 EDBDRO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000573558810 448657608 /nfs/dbraw/zinc/65/76/08/448657608.db2.gz ZMLCVJQUTZAAGF-ZBFHGGJFSA-N 1 0 346.387 1.809 20 5 EDBDRO C[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)Cn1cccn1 ZINC000573594705 448668034 /nfs/dbraw/zinc/66/80/34/448668034.db2.gz FTNJZKYQNSXYRI-ZFWWWQNUSA-N 1 0 334.376 1.457 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000592357324 448804220 /nfs/dbraw/zinc/80/42/20/448804220.db2.gz WQHGDKWAFXPECT-JOYOIKCWSA-N 1 0 331.332 1.893 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000519659267 448813255 /nfs/dbraw/zinc/81/32/55/448813255.db2.gz WGZKKTKVMVYTHA-OAHLLOKOSA-N 1 0 339.417 1.667 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCO1 ZINC000592310817 448787283 /nfs/dbraw/zinc/78/72/83/448787283.db2.gz YTESCKLIQSUFHZ-BMIGLBTASA-N 1 0 334.376 1.357 20 5 EDBDRO CC[C@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[C@H]1[NH3+] ZINC000592332856 448795214 /nfs/dbraw/zinc/79/52/14/448795214.db2.gz PLYKUIRBPFSASU-QWHCGFSZSA-N 1 0 343.387 1.980 20 5 EDBDRO CCC[C@H](O)[C@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592431619 448834271 /nfs/dbraw/zinc/83/42/71/448834271.db2.gz PZJNPGXJULIVBD-JSGCOSHPSA-N 1 0 325.365 1.035 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000519763858 448838522 /nfs/dbraw/zinc/83/85/22/448838522.db2.gz FANHFGHWYJCPLG-SWLSCSKDSA-N 1 0 339.417 1.530 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)N2CCO[C@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000592475168 448852660 /nfs/dbraw/zinc/85/26/60/448852660.db2.gz ZDWVMSGPEFWDIE-XUJVJEKNSA-N 1 0 336.392 1.278 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000592475942 448853140 /nfs/dbraw/zinc/85/31/40/448853140.db2.gz WNOIDGHLROCSDP-TVQRCGJNSA-N 1 0 342.783 1.235 20 5 EDBDRO O=C1NC(=O)[C@@]2(CCC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)N1 ZINC000588611081 448902788 /nfs/dbraw/zinc/90/27/88/448902788.db2.gz VJEJJSZDIUBVMF-UYZDIKGJSA-N 1 0 330.344 1.282 20 5 EDBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000547730474 448921151 /nfs/dbraw/zinc/92/11/51/448921151.db2.gz USNGFAMKZYFWSI-LLVKDONJSA-N 1 0 335.408 1.812 20 5 EDBDRO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC2(CC[NH2+]2)CC1 ZINC000574518222 448892740 /nfs/dbraw/zinc/89/27/40/448892740.db2.gz XWRNGDRUQMOCFR-UHFFFAOYSA-N 1 0 342.359 1.144 20 5 EDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H](CO)c1cccnc1)OCCO2 ZINC000588928686 448949996 /nfs/dbraw/zinc/94/99/96/448949996.db2.gz FQQYQPWEAPKXHF-AWEZNQCLSA-N 1 0 345.355 1.627 20 5 EDBDRO O=C1[C@@H](N2CC[C@]3(C2)CCC[NH2+]C3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000574812876 448962730 /nfs/dbraw/zinc/96/27/30/448962730.db2.gz KSPNHMHYEIZIGB-FUHWJXTLSA-N 1 0 344.415 1.776 20 5 EDBDRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000588869935 448943076 /nfs/dbraw/zinc/94/30/76/448943076.db2.gz QPPZOKSKXWQXHS-NSHDSACASA-N 1 0 332.360 1.263 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000548369173 449033938 /nfs/dbraw/zinc/03/39/38/449033938.db2.gz AKGCRXFCYBEEMO-NSHDSACASA-N 1 0 327.406 1.666 20 5 EDBDRO O=C(C[NH2+][C@H](CO)C1CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595615979 449080275 /nfs/dbraw/zinc/08/02/75/449080275.db2.gz KMDCCPQKUBOWIL-CYBMUJFWSA-N 1 0 327.768 1.937 20 5 EDBDRO COC(=O)COc1ccc(CN2CC[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000575133907 449044145 /nfs/dbraw/zinc/04/41/45/449044145.db2.gz ANMQDURMIIEMLO-WCQYABFASA-N 1 0 337.376 1.458 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c1C ZINC000589930114 449084614 /nfs/dbraw/zinc/08/46/14/449084614.db2.gz SQQWYPVKRRKAPX-OCCSQVGLSA-N 1 0 339.417 1.536 20 5 EDBDRO O=C(CN1CCC[C@@]2(CC[NH2+]C2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000575360306 449085369 /nfs/dbraw/zinc/08/53/69/449085369.db2.gz SOQMZPJGSMIKGN-SFHVURJKSA-N 1 0 344.415 1.559 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000599896695 449103635 /nfs/dbraw/zinc/10/36/35/449103635.db2.gz RBQACSNJZCTYPS-CMPLNLGQSA-N 1 0 334.376 1.407 20 5 EDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCCc1ccccc1[N+](=O)[O-])C2 ZINC000599918299 449108617 /nfs/dbraw/zinc/10/86/17/449108617.db2.gz INILDLNDAYOVDE-CALCHBBNSA-N 1 0 332.404 1.778 20 5 EDBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595678625 449115605 /nfs/dbraw/zinc/11/56/05/449115605.db2.gz RPRVKEVLVQPMSK-CZUORRHYSA-N 1 0 347.415 1.967 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N(CC)[C@@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000597945016 449154020 /nfs/dbraw/zinc/15/40/20/449154020.db2.gz GLWJNGKZWYSODI-CQSZACIVSA-N 1 0 349.387 1.938 20 5 EDBDRO O=C(C[NH2+][C@H]1C[C@@H](O)C12CCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595779227 449161034 /nfs/dbraw/zinc/16/10/34/449161034.db2.gz ARMREWOXFFHJDS-LSDHHAIUSA-N 1 0 331.372 1.377 20 5 EDBDRO CCOc1cc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000590440680 449161262 /nfs/dbraw/zinc/16/12/62/449161262.db2.gz ARBWJXDIURLKNM-RISCZKNCSA-N 1 0 349.387 1.778 20 5 EDBDRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000593736513 449170732 /nfs/dbraw/zinc/17/07/32/449170732.db2.gz VEJWAFDKOABWLJ-CABZTGNLSA-N 1 0 331.419 1.406 20 5 EDBDRO Cn1c(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000600007037 449146206 /nfs/dbraw/zinc/14/62/06/449146206.db2.gz MDFCFJQPKZIBNU-UHFFFAOYSA-N 1 0 336.392 1.260 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000590400526 449147382 /nfs/dbraw/zinc/14/73/82/449147382.db2.gz WADKIRSAYKUDFE-CVEARBPZSA-N 1 0 333.388 1.459 20 5 EDBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000604243241 449197698 /nfs/dbraw/zinc/19/76/98/449197698.db2.gz OEOJFUFTDQPXOX-QWRGUYRKSA-N 1 0 333.344 1.680 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCn1cncn1 ZINC000600130928 449206434 /nfs/dbraw/zinc/20/64/34/449206434.db2.gz ASRQQZDJTXXHCD-LBPRGKRZSA-N 1 0 332.364 1.583 20 5 EDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CCc2ccccc21 ZINC000595876166 449226284 /nfs/dbraw/zinc/22/62/84/449226284.db2.gz FAAFKIMBZZKGIB-GOEBONIOSA-N 1 0 330.388 1.814 20 5 EDBDRO NC(=O)c1ccc(CN2c3ccccc3CC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000595903276 449242653 /nfs/dbraw/zinc/24/26/53/449242653.db2.gz RGLXUNLTGFTWJB-OAHLLOKOSA-N 1 0 340.383 1.974 20 5 EDBDRO CN(C(=O)CN(C)[C@H](C[NH3+])C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000595907981 449246668 /nfs/dbraw/zinc/24/66/68/449246668.db2.gz LPMMJAZFDBHFMY-LLVKDONJSA-N 1 0 334.298 1.379 20 5 EDBDRO CC[C@H]([NH2+]C)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000595923245 449255210 /nfs/dbraw/zinc/25/52/10/449255210.db2.gz WUWVOYWSEVAJBR-NSHDSACASA-N 1 0 325.365 1.269 20 5 EDBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000600230035 449256037 /nfs/dbraw/zinc/25/60/37/449256037.db2.gz OTQBALWGLNURRR-AWEZNQCLSA-N 1 0 348.403 1.280 20 5 EDBDRO O=C(N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000595929064 449259791 /nfs/dbraw/zinc/25/97/91/449259791.db2.gz VMHCYYZXIUEENK-UHFFFAOYSA-N 1 0 345.403 1.313 20 5 EDBDRO CC(C)([NH3+])c1cc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)on1 ZINC000595937844 449266771 /nfs/dbraw/zinc/26/67/71/449266771.db2.gz YAEYGHKUWPMQGZ-UHFFFAOYSA-N 1 0 334.332 1.585 20 5 EDBDRO CN(CC1C[NH+](C)C1)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000598165939 449269533 /nfs/dbraw/zinc/26/95/33/449269533.db2.gz ZZPFCNGSLLFEQN-UHFFFAOYSA-N 1 0 348.403 1.065 20 5 EDBDRO CNc1nccc(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598259924 449318565 /nfs/dbraw/zinc/31/85/65/449318565.db2.gz GDHZWTCJUZVENC-LBPRGKRZSA-N 1 0 335.408 1.882 20 5 EDBDRO C[N@@H+]1CC[C@H](CC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000602072311 449321946 /nfs/dbraw/zinc/32/19/46/449321946.db2.gz XNIRRVLEVXMSKC-CQSZACIVSA-N 1 0 332.404 1.585 20 5 EDBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593912845 449281489 /nfs/dbraw/zinc/28/14/89/449281489.db2.gz RLRQDEUPIDVQFB-UXLLHSPISA-N 1 0 347.415 1.882 20 5 EDBDRO Cc1nn(CCC(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c(C)c1[N+](=O)[O-] ZINC000593914501 449283414 /nfs/dbraw/zinc/28/34/14/449283414.db2.gz CSBZOHJMBVVCJW-RISCZKNCSA-N 1 0 337.424 1.774 20 5 EDBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596078013 449352405 /nfs/dbraw/zinc/35/24/05/449352405.db2.gz YFOHVNNLEKVXGT-LLVKDONJSA-N 1 0 342.421 1.529 20 5 EDBDRO CC[NH+]1CCC(CNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596085707 449355970 /nfs/dbraw/zinc/35/59/70/449355970.db2.gz OTGIVUFLIDOSQY-UHFFFAOYSA-N 1 0 342.421 1.386 20 5 EDBDRO CCC[NH+](CCC)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593545061 449338341 /nfs/dbraw/zinc/33/83/41/449338341.db2.gz YZLSJCCPAVPQAW-UHFFFAOYSA-N 1 0 344.437 1.780 20 5 EDBDRO Cc1cc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc([N+](=O)[O-])c1 ZINC000598452805 449401838 /nfs/dbraw/zinc/40/18/38/449401838.db2.gz MJUSJMQBHXUYLW-INIZCTEOSA-N 1 0 333.388 1.574 20 5 EDBDRO CNc1c(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cccc1[N+](=O)[O-] ZINC000598455011 449404644 /nfs/dbraw/zinc/40/46/44/449404644.db2.gz YXWKRMSHKLFLTB-ZDUSSCGKSA-N 1 0 348.403 1.308 20 5 EDBDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000598535955 449451768 /nfs/dbraw/zinc/45/17/68/449451768.db2.gz MHIVAFHCASEZDV-NSHDSACASA-N 1 0 337.380 1.033 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000598611820 449492627 /nfs/dbraw/zinc/49/26/27/449492627.db2.gz PXRVHXIQCDDDQY-OLZOCXBDSA-N 1 0 339.417 1.536 20 5 EDBDRO CC(C)[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000598574678 449471750 /nfs/dbraw/zinc/47/17/50/449471750.db2.gz SMJIRRCYTOCJDZ-AWEZNQCLSA-N 1 0 327.331 1.872 20 5 EDBDRO C[NH+](C)C[C@H](CO)Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000596244065 449436202 /nfs/dbraw/zinc/43/62/02/449436202.db2.gz OJZXPYPVENGFFV-CYBMUJFWSA-N 1 0 334.351 2.130 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000612030434 449527967 /nfs/dbraw/zinc/52/79/67/449527967.db2.gz HDILVIJBGVJZRW-GJZGRUSLSA-N 1 0 346.387 1.868 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1OC ZINC000598669310 449530966 /nfs/dbraw/zinc/53/09/66/449530966.db2.gz HCTZBPVVVLWUGK-PIGZYNQJSA-N 1 0 349.387 1.956 20 5 EDBDRO COc1ccc(NC(=O)CN2C[C@H]3CCC[C@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC000598684412 449541588 /nfs/dbraw/zinc/54/15/88/449541588.db2.gz XBPDFCZAYIPICM-BZNIZROVSA-N 1 0 334.376 1.355 20 5 EDBDRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000594531610 449565627 /nfs/dbraw/zinc/56/56/27/449565627.db2.gz FDKDYLQIJBDEID-UHFFFAOYSA-N 1 0 343.380 1.626 20 5 EDBDRO CO[C@](C)(CO)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000594507480 449558782 /nfs/dbraw/zinc/55/87/82/449558782.db2.gz DCTOXVZJQRGRJS-NHYWBVRUSA-N 1 0 325.365 1.299 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598723524 449564220 /nfs/dbraw/zinc/56/42/20/449564220.db2.gz IYIVSUQFWXQSIU-SWLSCSKDSA-N 1 0 339.417 1.714 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000617399768 449590177 /nfs/dbraw/zinc/59/01/77/449590177.db2.gz BHZYXQQWAHFYNR-UHFFFAOYSA-N 1 0 330.348 1.169 20 5 EDBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000600967090 449621518 /nfs/dbraw/zinc/62/15/18/449621518.db2.gz XMDKJJBDPRYSPX-LBPRGKRZSA-N 1 0 339.367 1.821 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1-n1cc(CCN2CC[NH2+]CC2)nn1 ZINC000600971172 449625265 /nfs/dbraw/zinc/62/52/65/449625265.db2.gz VPLPZQLVFHJEJE-UHFFFAOYSA-N 1 0 336.783 1.277 20 5 EDBDRO [NH3+][C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC000602481211 449625781 /nfs/dbraw/zinc/62/57/81/449625781.db2.gz BBGCTHKYTOZLHB-VIFPVBQESA-N 1 0 328.166 1.824 20 5 EDBDRO COCc1csc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000594731072 449653592 /nfs/dbraw/zinc/65/35/92/449653592.db2.gz FBBLJNYWPBSBDH-GFCCVEGCSA-N 1 0 326.378 1.150 20 5 EDBDRO C[C@@H](CCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000598910887 449643214 /nfs/dbraw/zinc/64/32/14/449643214.db2.gz XXYSGOPPMRKFMI-NSHDSACASA-N 1 0 337.380 1.173 20 5 EDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[NH+](C[C@H]4CCCO4)CC3)c21 ZINC000612437889 449704239 /nfs/dbraw/zinc/70/42/39/449704239.db2.gz QBRGIHPVUUQPMK-CYBMUJFWSA-N 1 0 343.387 1.839 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000594801849 449714392 /nfs/dbraw/zinc/71/43/92/449714392.db2.gz UCWJDZXDRKLHIR-NSHDSACASA-N 1 0 327.406 1.746 20 5 EDBDRO COC(=O)c1ccnc(N2CCN(CCCF)CC2)c1[N+](=O)[O-] ZINC000599092514 449727720 /nfs/dbraw/zinc/72/77/20/449727720.db2.gz JJQFSSMQWWWOGL-UHFFFAOYSA-N 1 0 326.328 1.258 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000594821918 449730920 /nfs/dbraw/zinc/73/09/20/449730920.db2.gz PVSBITIVDLLUDM-SECBINFHSA-N 1 0 349.384 1.361 20 5 EDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000599111758 449742746 /nfs/dbraw/zinc/74/27/46/449742746.db2.gz SPDUUUIJYYEMQS-OKILXGFUSA-N 1 0 325.390 1.215 20 5 EDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C2 ZINC000599112252 449743384 /nfs/dbraw/zinc/74/33/84/449743384.db2.gz XIEFCAVMVANXEF-OKILXGFUSA-N 1 0 343.380 1.354 20 5 EDBDRO C[N@@H+]1CCCC[C@@H](CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000599138129 449758820 /nfs/dbraw/zinc/75/88/20/449758820.db2.gz GRVSSRGYEIVVGR-NSHDSACASA-N 1 0 342.421 1.386 20 5 EDBDRO C[C@]12C[NH+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@]1(C)C(=O)NC2=O ZINC000602731258 449771533 /nfs/dbraw/zinc/77/15/33/449771533.db2.gz LZMZNDJWYIHPRM-SLLSNFPASA-N 1 0 329.356 1.593 20 5 EDBDRO O=C(CCN1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000601333364 449841262 /nfs/dbraw/zinc/84/12/62/449841262.db2.gz CQRVCWFCKHBLIF-UKRRQHHQSA-N 1 0 332.404 1.997 20 5 EDBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCn3c(C)ncc3[N+](=O)[O-])[C@H]2C1 ZINC000602831843 449843195 /nfs/dbraw/zinc/84/31/95/449843195.db2.gz IXGLTVDYBVQSTQ-SOUVJXGZSA-N 1 0 335.408 1.336 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)c([N+](=O)[O-])s1 ZINC000601351740 449865127 /nfs/dbraw/zinc/86/51/27/449865127.db2.gz NPXVVIQEOWSQHT-WDEREUQCSA-N 1 0 345.446 1.727 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000595110624 449873958 /nfs/dbraw/zinc/87/39/58/449873958.db2.gz NWCFBFBEALZHDL-AWEZNQCLSA-N 1 0 348.403 1.648 20 5 EDBDRO CC[N@H+]1[C@H](C)CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000602872917 449881232 /nfs/dbraw/zinc/88/12/32/449881232.db2.gz DBEYCURKRCZWCA-OKILXGFUSA-N 1 0 346.431 1.898 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000595191793 449935178 /nfs/dbraw/zinc/93/51/78/449935178.db2.gz DXUOETHUPQSHTO-GFCCVEGCSA-N 1 0 334.376 1.442 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000601421757 449938765 /nfs/dbraw/zinc/93/87/65/449938765.db2.gz JABCNIGTDHDDEQ-RISCZKNCSA-N 1 0 341.433 1.870 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000602916629 449919756 /nfs/dbraw/zinc/91/97/56/449919756.db2.gz OPXJNUPOCJZPHX-AWEZNQCLSA-N 1 0 338.408 1.353 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000609269418 449995256 /nfs/dbraw/zinc/99/52/56/449995256.db2.gz QACHYDDVFNCLHL-CYBMUJFWSA-N 1 0 337.376 1.201 20 5 EDBDRO CC(C)(C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000609309859 450003783 /nfs/dbraw/zinc/00/37/83/450003783.db2.gz PGIUCIDHXXJBSF-LBPRGKRZSA-N 1 0 335.408 1.660 20 5 EDBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609412894 450025086 /nfs/dbraw/zinc/02/50/86/450025086.db2.gz DAOGHXOPWJMAGE-JTQLQIEISA-N 1 0 333.344 1.538 20 5 EDBDRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000595344500 450057300 /nfs/dbraw/zinc/05/73/00/450057300.db2.gz GBKHIKKOGDIORG-CYBMUJFWSA-N 1 0 327.406 1.700 20 5 EDBDRO CC[N@H+]1[C@H](C)CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000603141279 450089790 /nfs/dbraw/zinc/08/97/90/450089790.db2.gz DBTLGZDZLXTQJB-BETUJISGSA-N 1 0 348.403 1.266 20 5 EDBDRO C[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000601645061 450138022 /nfs/dbraw/zinc/13/80/22/450138022.db2.gz WGCAWJDHWXEQQM-CZUORRHYSA-N 1 0 335.404 1.661 20 5 EDBDRO C[NH+](C)CC1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000597709523 450213124 /nfs/dbraw/zinc/21/31/24/450213124.db2.gz WTTIGRXOSBWITQ-UHFFFAOYSA-N 1 0 329.360 1.414 20 5 EDBDRO COCC1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000595498116 450186965 /nfs/dbraw/zinc/18/69/65/450186965.db2.gz BRUDDUXDNPQIAV-UHFFFAOYSA-N 1 0 337.376 1.709 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(=NC3CC[NH+]([C@H]4CCOC4)CC3)[nH]c2c1 ZINC000618588113 450254366 /nfs/dbraw/zinc/25/43/66/450254366.db2.gz PMVTZKOKGJURCR-ZDUSSCGKSA-N 1 0 331.376 1.558 20 5 EDBDRO CCc1nn(C)c(NC2CC[NH+](C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000603408343 450285321 /nfs/dbraw/zinc/28/53/21/450285321.db2.gz MQYCXNOZALNGDO-UHFFFAOYSA-N 1 0 337.424 1.946 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000619472930 450483275 /nfs/dbraw/zinc/48/32/75/450483275.db2.gz ORNVJBRMFVYCQS-UHFFFAOYSA-N 1 0 343.405 1.318 20 5 EDBDRO C[C@@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000183641577 534070510 /nfs/dbraw/zinc/07/05/10/534070510.db2.gz RMFPLTPBQCJCNY-LBPRGKRZSA-N 1 0 341.433 1.539 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000159802550 534320807 /nfs/dbraw/zinc/32/08/07/534320807.db2.gz SXDXTYSHDOAFEG-HNNXBMFYSA-N 1 0 334.420 1.707 20 5 EDBDRO CC(C)(NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC000188654912 519314054 /nfs/dbraw/zinc/31/40/54/519314054.db2.gz XWLNQZVYVAUZTN-UHFFFAOYSA-N 1 0 329.360 1.629 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174254907 534463129 /nfs/dbraw/zinc/46/31/29/534463129.db2.gz FCRNZKVLMSZDSB-INIZCTEOSA-N 1 0 330.388 1.793 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178107657 534630587 /nfs/dbraw/zinc/63/05/87/534630587.db2.gz OCDBWQFDOOMANM-CQSZACIVSA-N 1 0 349.387 1.154 20 5 EDBDRO [NH3+]C[C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000178521872 534691919 /nfs/dbraw/zinc/69/19/19/534691919.db2.gz SIBKEQMQOBBCOI-MRVPVSSYSA-N 1 0 328.166 1.778 20 5 EDBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159369195 534713979 /nfs/dbraw/zinc/71/39/79/534713979.db2.gz FBLSTEVTVGJBDZ-QGZVFWFLSA-N 1 0 330.388 1.995 20 5 EDBDRO Nc1cc[nH+]cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000187218685 534743585 /nfs/dbraw/zinc/74/35/85/534743585.db2.gz QPOKVIZCMHTFAT-UHFFFAOYSA-N 1 0 327.344 1.534 20 5 EDBDRO CCN(CCC[NH+](C)C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000190287380 528443515 /nfs/dbraw/zinc/44/35/15/528443515.db2.gz TYSBKCDFDBOSOB-UHFFFAOYSA-N 1 0 329.422 1.776 20 5 EDBDRO CCC[N@@H+]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000114463389 535358936 /nfs/dbraw/zinc/35/89/36/535358936.db2.gz ZXVKAMDATJCZAM-UHFFFAOYSA-N 1 0 334.420 1.975 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261996206 535950252 /nfs/dbraw/zinc/95/02/52/535950252.db2.gz NEBAHGVZHRETII-NHYWBVRUSA-N 1 0 338.412 1.025 20 5 EDBDRO CC[C@H]1CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000348062531 536099507 /nfs/dbraw/zinc/09/95/07/536099507.db2.gz ZASMSKYPKWJFDP-SMDDNHRTSA-N 1 0 327.406 1.651 20 5 EDBDRO CC[C@H]1CC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000348066327 536099697 /nfs/dbraw/zinc/09/96/97/536099697.db2.gz RXAFSRKVQRBTAU-SMDDNHRTSA-N 1 0 327.406 1.651 20 5 EDBDRO C[NH2+][C@@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000261790623 536361706 /nfs/dbraw/zinc/36/17/06/536361706.db2.gz QHZIHIIHFGQZJV-GFCCVEGCSA-N 1 0 336.392 1.616 20 5 EDBDRO C[NH2+][C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000261703237 536412594 /nfs/dbraw/zinc/41/25/94/536412594.db2.gz GJWNTFZFPKXZNH-LBPRGKRZSA-N 1 0 336.392 1.616 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2C[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000353187276 536477134 /nfs/dbraw/zinc/47/71/34/536477134.db2.gz BGTIJOJZACFJAH-KBPBESRZSA-N 1 0 338.360 1.396 20 5 EDBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)NCc1cn2ccccc2n1 ZINC000742271632 579446231 /nfs/dbraw/zinc/44/62/31/579446231.db2.gz KUVRYSWZINDNDD-UHFFFAOYSA-N 1 0 333.329 1.116 20 5 EDBDRO C[C@H]1CCC[N@@H+]1CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000742427903 579451869 /nfs/dbraw/zinc/45/18/69/579451869.db2.gz TWFKFRAMGROWQX-JTQLQIEISA-N 1 0 328.394 1.138 20 5 EDBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000737745042 578281307 /nfs/dbraw/zinc/28/13/07/578281307.db2.gz YSFRSMIYRNMFJB-MRXNPFEDSA-N 1 0 345.403 1.743 20 5 EDBDRO Cc1nn(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749799286 579740234 /nfs/dbraw/zinc/74/02/34/579740234.db2.gz WFDVEZVSHXOMRG-OLZOCXBDSA-N 1 0 331.376 1.964 20 5 EDBDRO Cc1nn(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749954699 579745211 /nfs/dbraw/zinc/74/52/11/579745211.db2.gz MUXGRHQWGDHKNT-GFCCVEGCSA-N 1 0 347.375 1.690 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000750031710 579749168 /nfs/dbraw/zinc/74/91/68/579749168.db2.gz AKBTWWTUKCKUBU-IAGOWNOFSA-N 1 0 335.404 1.425 20 5 EDBDRO COC(=O)C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000754522875 579905373 /nfs/dbraw/zinc/90/53/73/579905373.db2.gz UXHWLGTZYROKGJ-CQSZACIVSA-N 1 0 347.371 1.415 20 5 EDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000764568594 580123554 /nfs/dbraw/zinc/12/35/54/580123554.db2.gz LYLWCYUOCKPRAI-AWEZNQCLSA-N 1 0 338.795 1.254 20 5 EDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000773535498 580340037 /nfs/dbraw/zinc/34/00/37/580340037.db2.gz UKPMBNSEHTZRAK-IEXSPKMKSA-N 1 0 330.388 1.114 20 5 EDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000783918276 580608282 /nfs/dbraw/zinc/60/82/82/580608282.db2.gz QJZZALFSBYVPFS-NSHDSACASA-N 1 0 335.360 1.580 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000786842586 580680975 /nfs/dbraw/zinc/68/09/75/580680975.db2.gz DAGSCAHPGQXDTL-CQSZACIVSA-N 1 0 348.403 1.504 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(=O)NCCO)CC1 ZINC000787408768 580694628 /nfs/dbraw/zinc/69/46/28/580694628.db2.gz ZLBXGVXKFXVGNC-SDNWHVSQSA-N 1 0 347.415 1.819 20 5 EDBDRO CN(C)c1cc(F)c(C(=O)N2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000791211289 580786343 /nfs/dbraw/zinc/78/63/43/580786343.db2.gz LSRJDAYVPZYYFS-UHFFFAOYSA-N 1 0 338.383 1.966 20 5 EDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000795099097 580913211 /nfs/dbraw/zinc/91/32/11/580913211.db2.gz GIAWNXUFVQXOER-KRWDZBQOSA-N 1 0 343.387 1.499 20 5 EDBDRO CCc1nn(C)c(OC)c1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796288520 580950069 /nfs/dbraw/zinc/95/00/69/580950069.db2.gz QKPMGYQWLWFSOG-HNNXBMFYSA-N 1 0 334.376 1.723 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c1 ZINC000738369651 598855791 /nfs/dbraw/zinc/85/57/91/598855791.db2.gz LFWNJMAITFRUDL-LBPRGKRZSA-N 1 0 343.391 1.697 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1NCc1cccnc1N1CC[NH+](C)CC1 ZINC000892039545 590765789 /nfs/dbraw/zinc/76/57/89/590765789.db2.gz QAOMUOFFQINRRP-UHFFFAOYSA-N 1 0 331.380 1.087 20 5 EDBDRO COc1c(O)ccc(C[NH2+][C@@H](C)CN2CCOCC2)c1[N+](=O)[O-] ZINC000892580771 591079841 /nfs/dbraw/zinc/07/98/41/591079841.db2.gz MFDIDSSTFDRIMC-NSHDSACASA-N 1 0 325.365 1.119 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[NH+](CCCCCO)CC3)nc2c1 ZINC000894964792 591499883 /nfs/dbraw/zinc/49/98/83/591499883.db2.gz YWJVKOKUILSPOF-UHFFFAOYSA-N 1 0 333.392 1.756 20 5 EDBDRO CCO[C@H]1CC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000897068699 591731701 /nfs/dbraw/zinc/73/17/01/591731701.db2.gz XVRUHMPJGMALHC-ZDUSSCGKSA-N 1 0 338.360 1.757 20 5 EDBDRO O=C(NCC[NH+]1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000900011420 591866736 /nfs/dbraw/zinc/86/67/36/591866736.db2.gz SMJSDTWBPPEPKN-UHFFFAOYSA-N 1 0 335.360 1.582 20 5 EDBDRO COc1cc(CCNC(=O)C23CC[NH+](CC2)C3)c([N+](=O)[O-])cc1OC ZINC000900032548 591873186 /nfs/dbraw/zinc/87/31/86/591873186.db2.gz ODPMAFZKMULDNI-UHFFFAOYSA-N 1 0 349.387 1.367 20 5 EDBDRO CO[C@@]1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCS(=O)(=O)C1 ZINC000903370619 592162304 /nfs/dbraw/zinc/16/23/04/592162304.db2.gz IPHMDAABNXSMDK-SMDDNHRTSA-N 1 0 328.390 1.449 20 5 EDBDRO [NH3+][C@@H]1CC[C@H](CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000903431512 592168361 /nfs/dbraw/zinc/16/83/61/592168361.db2.gz XSORZWXTVGJSTE-NWDGAFQWSA-N 1 0 338.433 1.542 20 5 EDBDRO C[NH+](C)C1CC(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000908010132 592260893 /nfs/dbraw/zinc/26/08/93/592260893.db2.gz RQDWYXYBLDXBEK-UHFFFAOYSA-N 1 0 339.417 1.502 20 5 EDBDRO COCC[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000903831260 592337056 /nfs/dbraw/zinc/33/70/56/592337056.db2.gz QOIBKHDBHBSVMU-CQSZACIVSA-N 1 0 336.392 1.152 20 5 EDBDRO COC[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000903876382 592356380 /nfs/dbraw/zinc/35/63/80/592356380.db2.gz XTHIZNRVKBZNPQ-NSHDSACASA-N 1 0 342.783 1.107 20 5 EDBDRO COC[C@@H]1C[NH2+]CCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000903882321 592361777 /nfs/dbraw/zinc/36/17/77/592361777.db2.gz LJBGBIUVPZHPAW-LBPRGKRZSA-N 1 0 344.209 1.778 20 5 EDBDRO C[C@@H](NCc1cnnn1[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000903988005 592405881 /nfs/dbraw/zinc/40/58/81/592405881.db2.gz MLPFYMWFZXICNE-DOMZBBRYSA-N 1 0 330.392 1.962 20 5 EDBDRO CCN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000905347415 592501789 /nfs/dbraw/zinc/50/17/89/592501789.db2.gz OMQKRBNIJLTSBH-LLVKDONJSA-N 1 0 345.396 1.887 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCN2C2CCOCC2)cc1 ZINC000905618823 592595674 /nfs/dbraw/zinc/59/56/74/592595674.db2.gz JMTQFNRBPRLJFS-DLBZAZTESA-N 1 0 335.404 1.471 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CC[NH2+]CCC23CCC3)c1[N+](=O)[O-] ZINC000905658169 592599118 /nfs/dbraw/zinc/59/91/18/592599118.db2.gz DBVWEDMFQPUVCB-UHFFFAOYSA-N 1 0 334.376 1.807 20 5 EDBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C[C@]2(C)C1 ZINC000907548073 592702251 /nfs/dbraw/zinc/70/22/51/592702251.db2.gz KZBFOBZYEQQUKG-SKDRFNHKSA-N 1 0 331.419 1.229 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@H](C)C1 ZINC000910282871 592820219 /nfs/dbraw/zinc/82/02/19/592820219.db2.gz CEMCQCGHVJVLHM-GFCCVEGCSA-N 1 0 349.387 1.922 20 5 EDBDRO C[NH+](C)CCCCNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000906545841 592848598 /nfs/dbraw/zinc/84/85/98/592848598.db2.gz OYVCLPLYDOPFTP-UHFFFAOYSA-N 1 0 345.403 1.911 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000911199210 592952141 /nfs/dbraw/zinc/95/21/41/592952141.db2.gz BYZFKVPETSVCLZ-GFCCVEGCSA-N 1 0 349.387 1.922 20 5 EDBDRO CCO[C@H]1C[NH2+][C@@H](C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000912150198 593066009 /nfs/dbraw/zinc/06/60/09/593066009.db2.gz KFVYBPYXNPKCIR-TZMCWYRMSA-N 1 0 341.795 1.974 20 5 EDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1 ZINC000912261617 593080417 /nfs/dbraw/zinc/08/04/17/593080417.db2.gz IKZOXZBTHOGDOG-FVQBIDKESA-N 1 0 333.388 1.758 20 5 EDBDRO CS(=O)(=O)NC1CC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000802654604 593268442 /nfs/dbraw/zinc/26/84/42/593268442.db2.gz LDBJCZOCQNCVRS-UHFFFAOYSA-N 1 0 333.797 1.418 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000840151615 593301690 /nfs/dbraw/zinc/30/16/90/593301690.db2.gz IFDQUZGJZDAIGM-GFCCVEGCSA-N 1 0 346.387 1.563 20 5 EDBDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000839519486 593309859 /nfs/dbraw/zinc/30/98/59/593309859.db2.gz BUGULGLCQOYSAZ-WRFANHODSA-N 1 0 347.415 1.577 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]2C1 ZINC000812320186 593495927 /nfs/dbraw/zinc/49/59/27/593495927.db2.gz CCRNKFABIBJOFU-NEPJUHHUSA-N 1 0 337.351 1.523 20 5 EDBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000816562007 593531683 /nfs/dbraw/zinc/53/16/83/593531683.db2.gz VLKJQKQFCYWXFZ-NWANDNLSSA-N 1 0 342.417 1.574 20 5 EDBDRO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592378 593643706 /nfs/dbraw/zinc/64/37/06/593643706.db2.gz HGJWEQFDXCULAD-KWQFWETISA-N 1 0 346.309 1.991 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000819176611 593742963 /nfs/dbraw/zinc/74/29/63/593742963.db2.gz LDGSKBZJKUYBOU-ZDUSSCGKSA-N 1 0 328.731 1.907 20 5 EDBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000819230386 593745765 /nfs/dbraw/zinc/74/57/65/593745765.db2.gz VCVYHDJLFHMLQP-TWMKSMIVSA-N 1 0 336.388 1.944 20 5 EDBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1(S(C)(=O)=O)CC1 ZINC000819304915 593749703 /nfs/dbraw/zinc/74/97/03/593749703.db2.gz KILMPRFFRIRMEV-ZWNOBZJWSA-N 1 0 328.390 1.184 20 5 EDBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)C(C)(C)C[NH+](C)C ZINC000820461312 593820013 /nfs/dbraw/zinc/82/00/13/593820013.db2.gz HCTVFBBQXNCXOI-VIFPVBQESA-N 1 0 334.384 1.558 20 5 EDBDRO CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823997668 593904399 /nfs/dbraw/zinc/90/43/99/593904399.db2.gz GMKZPFCTLZNHPZ-UHFFFAOYSA-N 1 0 337.380 1.097 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823998547 593904983 /nfs/dbraw/zinc/90/49/83/593904983.db2.gz QGGVOVBRPBFJKB-UHFFFAOYSA-N 1 0 325.369 1.219 20 5 EDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821088823 593963159 /nfs/dbraw/zinc/96/31/59/593963159.db2.gz XQFOLQXUVHCVJK-LBPRGKRZSA-N 1 0 345.407 1.943 20 5 EDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821254409 593998733 /nfs/dbraw/zinc/99/87/33/593998733.db2.gz LXSJXMKLTABZLC-YPMHNXCESA-N 1 0 343.391 1.838 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000822483365 594055544 /nfs/dbraw/zinc/05/55/44/594055544.db2.gz BKTXQGACOVIZMH-QGZVFWFLSA-N 1 0 335.404 1.740 20 5 EDBDRO COc1cc(Cc2noc(C[C@H]3CC[NH2+]C3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000823147297 594160092 /nfs/dbraw/zinc/16/00/92/594160092.db2.gz YMGMGGMLAJIPKS-SNVBAGLBSA-N 1 0 348.359 1.738 20 5 EDBDRO C[N@@H+]1CCCC12CCN(c1ccc(-c3nn[nH]n3)cc1[N+](=O)[O-])CC2 ZINC000826034464 594312056 /nfs/dbraw/zinc/31/20/56/594312056.db2.gz RKZBZLLRJJAJTG-UHFFFAOYSA-N 1 0 343.391 1.840 20 5 EDBDRO O=c1c2c(ncn1Cc1ccc(Cl)c([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000830512574 594410415 /nfs/dbraw/zinc/41/04/15/594410415.db2.gz HNPPVGCEBQPBPW-UHFFFAOYSA-N 1 0 334.763 1.541 20 5 EDBDRO CCO[C@@H](CNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F)C[NH+](C)C ZINC000831718306 594695777 /nfs/dbraw/zinc/69/57/77/594695777.db2.gz KFTQMSIKMPIEND-JTQLQIEISA-N 1 0 345.346 1.878 20 5 EDBDRO CCO[C@H](CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000831737578 594697707 /nfs/dbraw/zinc/69/77/07/594697707.db2.gz ITPSLNRKIYYAGQ-SECBINFHSA-N 1 0 331.319 1.570 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000841525583 594915228 /nfs/dbraw/zinc/91/52/28/594915228.db2.gz ZYDVDVBAHVVGEH-SNVBAGLBSA-N 1 0 347.824 1.787 20 5 EDBDRO CC(C)[NH2+]CCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841934420 594985144 /nfs/dbraw/zinc/98/51/44/594985144.db2.gz UUSPSYWTTQPMAD-UHFFFAOYSA-N 1 0 349.435 1.815 20 5 EDBDRO CC(C)(C[NH3+])c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000843223355 595042767 /nfs/dbraw/zinc/04/27/67/595042767.db2.gz BGNLMKFZOGGGET-UHFFFAOYSA-N 1 0 333.348 1.073 20 5 EDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3C[NH2+]Cc4ccccc43)n2)n1C ZINC000843222836 595042859 /nfs/dbraw/zinc/04/28/59/595042859.db2.gz VZMRENNNAUAXOC-GFCCVEGCSA-N 1 0 340.343 1.922 20 5 EDBDRO C[NH2+]C[C@@H](C)c1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000843236754 595045913 /nfs/dbraw/zinc/04/59/13/595045913.db2.gz HDZIVZBGJGUXDH-SECBINFHSA-N 1 0 329.320 1.548 20 5 EDBDRO C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000843351990 595083893 /nfs/dbraw/zinc/08/38/93/595083893.db2.gz OGBNIRIRRZZJLW-AOOOYVTPSA-N 1 0 326.784 1.869 20 5 EDBDRO O=C(CN1CCC[C@H]2C[NH2+]C[C@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842472819 595113601 /nfs/dbraw/zinc/11/36/01/595113601.db2.gz NXRPIVIHPKLPPS-IINYFYTJSA-N 1 0 338.795 1.871 20 5 EDBDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000843507689 595135819 /nfs/dbraw/zinc/13/58/19/595135819.db2.gz QXMSRGAQGHKULU-NSHDSACASA-N 1 0 334.332 1.908 20 5 EDBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000834563224 595163257 /nfs/dbraw/zinc/16/32/57/595163257.db2.gz BETISLLQEYPVAY-RMHQSFGDSA-N 1 0 347.415 1.913 20 5 EDBDRO O=[N+]([O-])c1cc2c(c(-c3nc([C@@H]4CCC[NH2+]C4)no3)c1)OCCO2 ZINC000842666320 595165252 /nfs/dbraw/zinc/16/52/52/595165252.db2.gz FGJKWOLAKGNPPO-SECBINFHSA-N 1 0 332.316 1.883 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000834637224 595181340 /nfs/dbraw/zinc/18/13/40/595181340.db2.gz WIMXJUUISUNQPY-DOMZBBRYSA-N 1 0 348.403 1.159 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000846233902 595182032 /nfs/dbraw/zinc/18/20/32/595182032.db2.gz CELCQBCLJHTDPD-UHFFFAOYSA-N 1 0 331.369 1.402 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C1CCC([NH3+])CC1 ZINC000842737054 595184879 /nfs/dbraw/zinc/18/48/79/595184879.db2.gz GRQDPYULDUQVIC-UHFFFAOYSA-N 1 0 343.405 1.494 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CCC[NH3+] ZINC000842880070 595223774 /nfs/dbraw/zinc/22/37/74/595223774.db2.gz XOTLYDDNEGWNQI-SECBINFHSA-N 1 0 335.813 1.962 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H](O)c2ccsc2)c1 ZINC000843081321 595282344 /nfs/dbraw/zinc/28/23/44/595282344.db2.gz BEOGQCVODQZQHG-ZFWWWQNUSA-N 1 0 338.385 1.719 20 5 EDBDRO Cc1cccc([C@H](O)C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000843086427 595284144 /nfs/dbraw/zinc/28/41/44/595284144.db2.gz GDDOFIZGUCEIAL-DOTOQJQBSA-N 1 0 346.383 1.966 20 5 EDBDRO CC(C)[C@H]([NH3+])c1noc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000843152781 595296585 /nfs/dbraw/zinc/29/65/85/595296585.db2.gz SCMFZVRUAGYMPD-ZDUSSCGKSA-N 1 0 333.348 1.606 20 5 EDBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000846961900 595343185 /nfs/dbraw/zinc/34/31/85/595343185.db2.gz PLRWFOWBFRAPGC-STQMWFEESA-N 1 0 325.340 1.812 20 5 EDBDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848488051 595393421 /nfs/dbraw/zinc/39/34/21/595393421.db2.gz FJODXHNNHAFPAW-CYBMUJFWSA-N 1 0 343.387 1.826 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848583879 595409578 /nfs/dbraw/zinc/40/95/78/595409578.db2.gz YZJNPFIZLAMYIT-LLVKDONJSA-N 1 0 343.330 1.977 20 5 EDBDRO O=C(OCCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000848774012 595444923 /nfs/dbraw/zinc/44/49/23/595444923.db2.gz IQWRYDKYRCZOIV-OAHLLOKOSA-N 1 0 344.371 1.857 20 5 EDBDRO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000108333176 595492454 /nfs/dbraw/zinc/49/24/54/595492454.db2.gz LQWTUHDVQFQFNI-NSHDSACASA-N 1 0 336.348 1.883 20 5 EDBDRO CNc1ccc(C(=O)OC2CC[NH+](CCOC)CC2)cc1[N+](=O)[O-] ZINC000847880890 595495271 /nfs/dbraw/zinc/49/52/71/595495271.db2.gz BMDKFCJTAWHFLI-UHFFFAOYSA-N 1 0 337.376 1.904 20 5 EDBDRO O=C(NC[C@H]1C[NH2+]CCCO1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857767274 595600804 /nfs/dbraw/zinc/60/08/04/595600804.db2.gz BGXUMQUCFQIJFR-GFCCVEGCSA-N 1 0 345.302 1.061 20 5 EDBDRO Cc1ccc(O[C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)nc1 ZINC000858041626 595688236 /nfs/dbraw/zinc/68/82/36/595688236.db2.gz LBJKEKFSPBCSBT-OAHLLOKOSA-N 1 0 344.371 1.613 20 5 EDBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)CCC[NH+](C)C ZINC000855414713 595704458 /nfs/dbraw/zinc/70/44/58/595704458.db2.gz JXUFSEPGULIPCB-PFONDFGASA-N 1 0 348.447 1.998 20 5 EDBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N(C)CC1C[NH+](C)C1 ZINC000855641859 595777983 /nfs/dbraw/zinc/77/79/83/595777983.db2.gz PWRQBCQEQUCGAN-UHFFFAOYSA-N 1 0 338.339 1.326 20 5 EDBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@H](Cn4ccnn4)C3)c2c1 ZINC000853522968 595783481 /nfs/dbraw/zinc/78/34/81/595783481.db2.gz RUNNAFIENVJJHX-LBPRGKRZSA-N 1 0 327.348 1.516 20 5 EDBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855902650 595852495 /nfs/dbraw/zinc/85/24/95/595852495.db2.gz JOVXSRGUQUMTDB-CZUORRHYSA-N 1 0 335.404 1.865 20 5 EDBDRO COc1cc(N2CCN(CC[NH+](C)C)C(=O)C2)c([N+](=O)[O-])cc1C ZINC000853711057 595861099 /nfs/dbraw/zinc/86/10/99/595861099.db2.gz KDLVZBHLSNNPRN-UHFFFAOYSA-N 1 0 336.392 1.122 20 5 EDBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000851897193 595967260 /nfs/dbraw/zinc/96/72/60/595967260.db2.gz NDRZJYIEGUECFU-LBPRGKRZSA-N 1 0 345.396 1.661 20 5 EDBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CCO1 ZINC000856428519 595988070 /nfs/dbraw/zinc/98/80/70/595988070.db2.gz CBGQVSXIBPXNTN-CYBMUJFWSA-N 1 0 339.367 1.917 20 5 EDBDRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)ccn1 ZINC000856623941 596037970 /nfs/dbraw/zinc/03/79/70/596037970.db2.gz DUYWHAZYUGVZGY-ARFHVFGLSA-N 1 0 348.403 1.178 20 5 EDBDRO O=C(NCc1nc([C@@H]2CCC[NH2+]C2)no1)Nc1cccc([N+](=O)[O-])c1 ZINC000856717307 596058105 /nfs/dbraw/zinc/05/81/05/596058105.db2.gz BHDXKIOCAGHNLP-SNVBAGLBSA-N 1 0 346.347 1.767 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(N3CCOCC3)CC2)cc1 ZINC000859353547 596061557 /nfs/dbraw/zinc/06/15/57/596061557.db2.gz GDSVYBMRQCMPCU-QGZVFWFLSA-N 1 0 335.404 1.425 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000866791568 596348225 /nfs/dbraw/zinc/34/82/25/596348225.db2.gz FHCZXBPMERIKRS-AOOOYVTPSA-N 1 0 345.808 1.682 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c1[N+](=O)[O-] ZINC000866824483 596366642 /nfs/dbraw/zinc/36/66/42/596366642.db2.gz MKBQQRXBJOTCQI-QWHCGFSZSA-N 1 0 339.417 1.727 20 5 EDBDRO C[N@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863323036 596550704 /nfs/dbraw/zinc/55/07/04/596550704.db2.gz ZDQSOVKFJURILM-JNSHFYNHSA-N 1 0 329.360 1.612 20 5 EDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000869781114 596633290 /nfs/dbraw/zinc/63/32/90/596633290.db2.gz FRLLMHKEBHBOFM-NSHDSACASA-N 1 0 325.340 1.309 20 5 EDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000869785829 596637461 /nfs/dbraw/zinc/63/74/61/596637461.db2.gz GSMCHWGELCNQRK-NSHDSACASA-N 1 0 341.795 1.823 20 5 EDBDRO COCCN(CC1CC[NH+](C)CC1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000865996076 596751907 /nfs/dbraw/zinc/75/19/07/596751907.db2.gz GZSIJYJVQRGZBU-UHFFFAOYSA-N 1 0 348.407 1.432 20 5 EDBDRO C[C@@](O)(C[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000871965108 596762117 /nfs/dbraw/zinc/76/21/17/596762117.db2.gz BMVLRALMUIWEFR-ZWKOTPCHSA-N 1 0 349.431 1.629 20 5 EDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CCO[C@H](C)C1 ZINC000866259959 596840536 /nfs/dbraw/zinc/84/05/36/596840536.db2.gz IHVDDFWPXGYILI-QWHCGFSZSA-N 1 0 325.384 1.975 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000874468452 597093728 /nfs/dbraw/zinc/09/37/28/597093728.db2.gz YWTYAQUKWUPOLC-AWEZNQCLSA-N 1 0 348.447 1.967 20 5 EDBDRO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)CC2 ZINC000873076498 597182253 /nfs/dbraw/zinc/18/22/53/597182253.db2.gz OCHGYROOPWJAJU-ZDUSSCGKSA-N 1 0 331.376 1.746 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c(C)c1[N+](=O)[O-] ZINC000874840567 597194096 /nfs/dbraw/zinc/19/40/96/597194096.db2.gz PJBCKTPXTYHYNM-KBPBESRZSA-N 1 0 335.408 1.493 20 5 EDBDRO COc1ccc(CC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000874840194 597194173 /nfs/dbraw/zinc/19/41/73/597194173.db2.gz KRZOHZVHEMBUEE-ZIAGYGMSSA-N 1 0 333.388 1.841 20 5 EDBDRO O=C([C@@H](F)[C@H]1CC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000876550662 597236544 /nfs/dbraw/zinc/23/65/44/597236544.db2.gz AFFTVRJCUWJHQN-WFASDCNBSA-N 1 0 336.367 1.191 20 5 EDBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]C1CC(n3cc([N+](=O)[O-])cn3)C1)C2 ZINC000876926576 597387445 /nfs/dbraw/zinc/38/74/45/597387445.db2.gz ZRULXQKZTIIOKW-IYXRBSQSSA-N 1 0 328.376 1.740 20 5 EDBDRO C[C@@H]([NH3+])CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000877101190 597433484 /nfs/dbraw/zinc/43/34/84/597433484.db2.gz FKXVEJPTIYMGKY-MRVPVSSYSA-N 1 0 330.182 1.705 20 5 EDBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877283163 597486195 /nfs/dbraw/zinc/48/61/95/597486195.db2.gz VJBRQHVOSCKWIG-JKSUJKDBSA-N 1 0 341.371 1.747 20 5 EDBDRO Cc1cccc(C[C@H](CO)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000877465726 597519813 /nfs/dbraw/zinc/51/98/13/597519813.db2.gz VVSFUPSWJIDZLG-HWOWSKLDSA-N 1 0 330.388 1.996 20 5 EDBDRO Cc1ccccc1C[C@H](CO)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877465743 597520162 /nfs/dbraw/zinc/52/01/62/597520162.db2.gz WENKEUQAIZULGF-HWOWSKLDSA-N 1 0 330.388 1.996 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000877719572 597550732 /nfs/dbraw/zinc/55/07/32/597550732.db2.gz ADJRUIZUVWOEHX-BETUJISGSA-N 1 0 333.344 1.040 20 5 EDBDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000877726968 597551449 /nfs/dbraw/zinc/55/14/49/597551449.db2.gz MSRRNTCDOJQUAN-NOZJJQNGSA-N 1 0 328.752 1.916 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CO)C[NH+]2CCCC2)cc1Cl ZINC000879991686 597799967 /nfs/dbraw/zinc/79/99/67/597799967.db2.gz LUHYVRSQKAFRMZ-LLVKDONJSA-N 1 0 341.795 1.743 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000880136242 597852877 /nfs/dbraw/zinc/85/28/77/597852877.db2.gz IJLJVIAEVHXRAE-RBSFLKMASA-N 1 0 335.404 1.503 20 5 EDBDRO CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000879334808 597889815 /nfs/dbraw/zinc/88/98/15/597889815.db2.gz NGFQJSHRWTVBMZ-AWEZNQCLSA-N 1 0 336.392 1.757 20 5 EDBDRO COc1c[nH+]ccc1N1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882291183 597925680 /nfs/dbraw/zinc/92/56/80/597925680.db2.gz BXRRCRVAUKFOLD-UHFFFAOYSA-N 1 0 333.323 1.859 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1 ZINC000880586062 597972391 /nfs/dbraw/zinc/97/23/91/597972391.db2.gz MTCPYJZRSBBTGH-OAHLLOKOSA-N 1 0 336.388 1.837 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCCO2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884458218 598110632 /nfs/dbraw/zinc/11/06/32/598110632.db2.gz ZVFQAEOEPNJVQR-PHIMTYICSA-N 1 0 333.344 1.333 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)Cn2cc(CC[NH+]3CCCCC3)nn2)cc1 ZINC000881397685 598138814 /nfs/dbraw/zinc/13/88/14/598138814.db2.gz FPBNRHJQOYVUDG-QGZVFWFLSA-N 1 0 345.403 1.948 20 5 EDBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000738358815 598504412 /nfs/dbraw/zinc/50/44/12/598504412.db2.gz OXYCWDWXONQWIZ-GFCCVEGCSA-N 1 0 329.364 1.671 20 5 EDBDRO CC[NH+](CC)CCCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000915280556 695778288 /nfs/dbraw/zinc/77/82/88/695778288.db2.gz BHINFHSSLOHTIY-UHFFFAOYSA-N 1 0 333.392 1.793 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(C)CCN(C(=O)c2ccon2)CC1 ZINC000939978584 700098044 /nfs/dbraw/zinc/09/80/44/700098044.db2.gz VOQVZLJISGYZAI-UHFFFAOYSA-N 1 0 348.363 1.101 20 5 EDBDRO C[NH+](C)C1CC(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000916955856 696850829 /nfs/dbraw/zinc/85/08/29/696850829.db2.gz MLPBXTUDMUEMTH-UHFFFAOYSA-N 1 0 333.797 1.619 20 5 EDBDRO C[C@@H](NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000917223566 696975276 /nfs/dbraw/zinc/97/52/76/696975276.db2.gz KGRJTDLMTPESHT-UONOGXRCSA-N 1 0 349.435 1.591 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc3c(c2)CCC3)CC1 ZINC000996430011 702784141 /nfs/dbraw/zinc/78/41/41/702784141.db2.gz YHIIRUYEJLILNY-QZTJIDSGSA-N 1 0 343.427 1.921 20 5 EDBDRO O=C(Cc1cnoc1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000996898650 703169007 /nfs/dbraw/zinc/16/90/07/703169007.db2.gz NBTUITCLVSUWCX-UHFFFAOYSA-N 1 0 344.371 1.906 20 5 EDBDRO Cc1c(NC(=O)N2CCN(C)CC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000929222321 703413994 /nfs/dbraw/zinc/41/39/94/703413994.db2.gz FXVQAKMYPIIMRK-UHFFFAOYSA-N 1 0 335.408 1.614 20 5 EDBDRO Cc1conc1C(=O)N1CCC([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000997163814 703451520 /nfs/dbraw/zinc/45/15/20/703451520.db2.gz UALNKSBEEOKLSU-UHFFFAOYSA-N 1 0 348.363 1.019 20 5 EDBDRO O=C1C[C@@H](CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CN1 ZINC000922783125 704336296 /nfs/dbraw/zinc/33/62/96/704336296.db2.gz ZUNYODLAXDCGAW-SECBINFHSA-N 1 0 329.303 1.812 20 5 EDBDRO COc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)ccn1 ZINC000997767490 704670999 /nfs/dbraw/zinc/67/09/99/704670999.db2.gz GCEBFZVHWJNEGB-HUUCEWRRSA-N 1 0 348.403 1.084 20 5 EDBDRO C[C@H]1C[C@@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC[N@@H+]1C ZINC000356067099 704826361 /nfs/dbraw/zinc/82/63/61/704826361.db2.gz XBDPHABXQHFDLU-STQMWFEESA-N 1 0 335.408 1.685 20 5 EDBDRO CCc1nc(C)c(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001002787295 709393382 /nfs/dbraw/zinc/39/33/82/709393382.db2.gz IRDNBKDHISICPH-CHWSQXEVSA-N 1 0 336.392 1.291 20 5 EDBDRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000154798731 282089541 /nfs/dbraw/zinc/08/95/41/282089541.db2.gz XVCGGIUUGUMFBG-UHFFFAOYSA-N 1 0 328.756 1.207 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000054463330 214239834 /nfs/dbraw/zinc/23/98/34/214239834.db2.gz DWYHUWCZKZYXDN-CQSZACIVSA-N 1 0 336.392 1.385 20 5 EDBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000560001179 306260397 /nfs/dbraw/zinc/26/03/97/306260397.db2.gz FBLSAOVBORWNSV-JSGCOSHPSA-N 1 0 344.375 1.559 20 5 EDBDRO COCC[C@@](C)(O)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000178373569 232148839 /nfs/dbraw/zinc/14/88/39/232148839.db2.gz WOMACERQDZLYMX-BLLLJJGKSA-N 1 0 339.392 1.689 20 5 EDBDRO O=C(COc1ccc(F)cc1[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000102599415 219212910 /nfs/dbraw/zinc/21/29/10/219212910.db2.gz ARZSABIPVRWWNF-UHFFFAOYSA-N 1 0 337.351 1.856 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC2(C)CC[NH2+]CC2)c1C ZINC000181226409 234123466 /nfs/dbraw/zinc/12/34/66/234123466.db2.gz GSEBKHUFEPXZII-UHFFFAOYSA-N 1 0 341.433 1.880 20 5 EDBDRO CC(C)[NH2+]C1(CO)CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000563361869 306329923 /nfs/dbraw/zinc/32/99/23/306329923.db2.gz SSWREILGZDJXCT-UHFFFAOYSA-N 1 0 337.420 1.799 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(CO)CC1 ZINC000076991775 138250942 /nfs/dbraw/zinc/25/09/42/138250942.db2.gz GYPIREWMCUDCML-UHFFFAOYSA-N 1 0 337.376 1.636 20 5 EDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCN(C(N)=O)CC1 ZINC000102180537 138298360 /nfs/dbraw/zinc/29/83/60/138298360.db2.gz TYWCOMIJTIPHJB-NSHDSACASA-N 1 0 335.364 1.008 20 5 EDBDRO COC(=O)[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413509095 304064579 /nfs/dbraw/zinc/06/45/79/304064579.db2.gz XYUNRMSMRNHSOL-SNVBAGLBSA-N 1 0 327.768 1.789 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000186796699 236023910 /nfs/dbraw/zinc/02/39/10/236023910.db2.gz LVDFJOUIFRXOMP-LBPRGKRZSA-N 1 0 348.403 1.266 20 5 EDBDRO Cc1ccc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000186929647 236067687 /nfs/dbraw/zinc/06/76/87/236067687.db2.gz PIGJSVVRUVXPAK-CYBMUJFWSA-N 1 0 335.404 1.820 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000128827555 138622634 /nfs/dbraw/zinc/62/26/34/138622634.db2.gz WTHAYUAKAMZFKV-KKUMJFAQSA-N 1 0 334.380 1.122 20 5 EDBDRO O=C(CC[NH2+]C[C@H]1CCCS1(=O)=O)Nc1ccccc1[N+](=O)[O-] ZINC000564650800 306361977 /nfs/dbraw/zinc/36/19/77/306361977.db2.gz DMHWFNCJKXDHDK-LLVKDONJSA-N 1 0 341.389 1.090 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000072075772 216003547 /nfs/dbraw/zinc/00/35/47/216003547.db2.gz XQVPCRHPXTWHHH-DGCLKSJQSA-N 1 0 335.360 1.196 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000261997579 283585315 /nfs/dbraw/zinc/58/53/15/283585315.db2.gz SUVYJIGEXSMADM-UONOGXRCSA-N 1 0 332.404 1.761 20 5 EDBDRO [NH3+][C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000238005752 283611636 /nfs/dbraw/zinc/61/16/36/283611636.db2.gz RIIRKFZELKZICN-KRWDZBQOSA-N 1 0 340.383 1.943 20 5 EDBDRO C[NH+]1CCN(C[C@@H](O)COc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000414146847 304102822 /nfs/dbraw/zinc/10/28/22/304102822.db2.gz RBWRVHNTOZYWJQ-GFCCVEGCSA-N 1 0 329.784 1.235 20 5 EDBDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414329878 304107124 /nfs/dbraw/zinc/10/71/24/304107124.db2.gz BQUXXORVHWCFNR-NWDGAFQWSA-N 1 0 336.392 1.815 20 5 EDBDRO CCOc1cc(NC(=O)N[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OCC ZINC000414760921 304137896 /nfs/dbraw/zinc/13/78/96/304137896.db2.gz RXVPSEIHGVWNLQ-SNVBAGLBSA-N 1 0 338.364 1.876 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000566501213 306417288 /nfs/dbraw/zinc/41/72/88/306417288.db2.gz FOVKISXOYYHRQK-LBPRGKRZSA-N 1 0 327.406 1.666 20 5 EDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000414999603 304149619 /nfs/dbraw/zinc/14/96/19/304149619.db2.gz KKPMGOWNUDCSGH-GWCFXTLKSA-N 1 0 342.346 1.899 20 5 EDBDRO CCOC(=O)c1ccnc(N2CC[C@@H](C[N@H+](C)CC)C2)c1[N+](=O)[O-] ZINC000078583709 217080359 /nfs/dbraw/zinc/08/03/59/217080359.db2.gz OYVZTRKKHAWMCB-LBPRGKRZSA-N 1 0 336.392 1.945 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[NH2+]CC1 ZINC000236567635 139026362 /nfs/dbraw/zinc/02/63/62/139026362.db2.gz IKFKTPPSGLQGBF-UHFFFAOYSA-N 1 0 342.193 1.722 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000078760485 217114271 /nfs/dbraw/zinc/11/42/71/217114271.db2.gz UCMKVIZWIXBKAD-LLVKDONJSA-N 1 0 347.824 1.963 20 5 EDBDRO COc1ccc(S(=O)(=O)NC2(C[NH3+])CCCC2)c([N+](=O)[O-])c1 ZINC000237320977 139047826 /nfs/dbraw/zinc/04/78/26/139047826.db2.gz SPAIYWWBPBDSHN-UHFFFAOYSA-N 1 0 329.378 1.153 20 5 EDBDRO C[C@]1(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCC[NH2+]C1 ZINC000237535557 139053408 /nfs/dbraw/zinc/05/34/08/139053408.db2.gz XANBBNYPFBGNRW-WBMJQRKESA-N 1 0 333.392 1.392 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237550741 139053880 /nfs/dbraw/zinc/05/38/80/139053880.db2.gz VYDKVYPCCHTCDN-BKQLOGFTSA-N 1 0 346.387 1.112 20 5 EDBDRO [NH3+][C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000237982554 139065723 /nfs/dbraw/zinc/06/57/23/139065723.db2.gz XSXOMRPLWDVDGC-SECBINFHSA-N 1 0 328.166 1.459 20 5 EDBDRO [NH3+]C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000238068832 139068183 /nfs/dbraw/zinc/06/81/83/139068183.db2.gz DMRRLZUGABZAEN-GFCCVEGCSA-N 1 0 342.193 1.753 20 5 EDBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000245514707 139077588 /nfs/dbraw/zinc/07/75/88/139077588.db2.gz CLFLYJQWEDYWNH-ZYHUDNBSSA-N 1 0 335.360 1.782 20 5 EDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCCC[C@H]1O ZINC000245536499 139078348 /nfs/dbraw/zinc/07/83/48/139078348.db2.gz GCIJHZHTEMIRNX-UKPHBRMFSA-N 1 0 338.404 1.817 20 5 EDBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245938029 139090712 /nfs/dbraw/zinc/09/07/12/139090712.db2.gz ZVLIKFFECLECSK-RYUDHWBXSA-N 1 0 339.396 1.185 20 5 EDBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246083486 139094170 /nfs/dbraw/zinc/09/41/70/139094170.db2.gz LCMDOOVWJKUSIN-NSHDSACASA-N 1 0 343.380 1.511 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1OC ZINC000567925679 306467020 /nfs/dbraw/zinc/46/70/20/306467020.db2.gz RGLGMJKFHUCUIF-VHSXEESVSA-N 1 0 325.365 1.858 20 5 EDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000248458300 139164917 /nfs/dbraw/zinc/16/49/17/139164917.db2.gz MWKMAEDCSWITKA-OFQRWUPVSA-N 1 0 338.404 1.817 20 5 EDBDRO CNC(=O)CCC[N@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000093717734 218243632 /nfs/dbraw/zinc/24/36/32/218243632.db2.gz ZYASMKXLUDLYPG-UHFFFAOYSA-N 1 0 325.365 1.570 20 5 EDBDRO C[NH+](C)CC1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000151729518 223859083 /nfs/dbraw/zinc/85/90/83/223859083.db2.gz NCWYZIWNGVGKHR-UHFFFAOYSA-N 1 0 341.433 1.994 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000261599175 139209592 /nfs/dbraw/zinc/20/95/92/139209592.db2.gz SBDGKMPKGLZMDX-WRWORJQWSA-N 1 0 333.797 1.524 20 5 EDBDRO NC(=O)c1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC000261701873 139218917 /nfs/dbraw/zinc/21/89/17/139218917.db2.gz OULNMLDAGQJSTQ-HNNXBMFYSA-N 1 0 332.404 1.658 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000261725642 139220801 /nfs/dbraw/zinc/22/08/01/139220801.db2.gz RECCURCBFKNORK-AWEZNQCLSA-N 1 0 347.396 1.760 20 5 EDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000569119067 306497293 /nfs/dbraw/zinc/49/72/93/306497293.db2.gz XYHZSHCAGVRNAH-STQMWFEESA-N 1 0 335.408 1.552 20 5 EDBDRO C[C@]1(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC[NH2+]C1 ZINC000261752898 139223193 /nfs/dbraw/zinc/22/31/93/139223193.db2.gz KBLQWFKUQLTKOZ-HNNXBMFYSA-N 1 0 338.433 1.414 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000261760598 139223886 /nfs/dbraw/zinc/22/38/86/139223886.db2.gz VUMJZXKPFVEGNY-JQWIXIFHSA-N 1 0 335.360 1.436 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000261831294 139229827 /nfs/dbraw/zinc/22/98/27/139229827.db2.gz YVTNTNOPRXLJGD-CYBMUJFWSA-N 1 0 327.406 1.570 20 5 EDBDRO Cc1c(NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000415509639 250979138 /nfs/dbraw/zinc/97/91/38/250979138.db2.gz XAFUVEREPAZFPY-GFCCVEGCSA-N 1 0 336.392 1.674 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000415563205 251016409 /nfs/dbraw/zinc/01/64/09/251016409.db2.gz HHWMMVFGGSGFKD-RYUDHWBXSA-N 1 0 334.376 1.346 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000262306960 139268534 /nfs/dbraw/zinc/26/85/34/139268534.db2.gz CHWFUSXMVZWLAZ-NWDGAFQWSA-N 1 0 329.360 1.590 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000262360984 139273170 /nfs/dbraw/zinc/27/31/70/139273170.db2.gz WKCVWYAUCUJYPZ-UFBFGSQYSA-N 1 0 347.824 1.914 20 5 EDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCOC2(C[NH2+]C2)C1 ZINC000417709051 251237142 /nfs/dbraw/zinc/23/71/42/251237142.db2.gz CDOFVNPVAGYFEI-UHFFFAOYSA-N 1 0 348.403 1.301 20 5 EDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262701247 139297376 /nfs/dbraw/zinc/29/73/76/139297376.db2.gz ASYAUSHQJGPFCP-NWDGAFQWSA-N 1 0 329.360 1.603 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000262737619 139300188 /nfs/dbraw/zinc/30/01/88/139300188.db2.gz AVNFMJGSXLLOBO-SCZZXKLOSA-N 1 0 333.797 1.525 20 5 EDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000262739902 139300221 /nfs/dbraw/zinc/30/02/21/139300221.db2.gz BQFSWBHJJPEGSK-BDAKNGLRSA-N 1 0 333.797 1.619 20 5 EDBDRO CNC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000420968559 251796477 /nfs/dbraw/zinc/79/64/77/251796477.db2.gz CDTOZFVWGLYUKN-LBPRGKRZSA-N 1 0 334.376 1.300 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000422771542 251972439 /nfs/dbraw/zinc/97/24/39/251972439.db2.gz VWDYDUDETRGSDG-TZMCWYRMSA-N 1 0 348.403 1.137 20 5 EDBDRO Cn1cc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C[C@H]2[NH3+])cn1 ZINC000424221769 252168039 /nfs/dbraw/zinc/16/80/39/252168039.db2.gz CIDCQDATPUDTKF-GXTWGEPZSA-N 1 0 349.778 1.549 20 5 EDBDRO O=C(NCc1ccccc1[N+](=O)[O-])c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424081850 252127896 /nfs/dbraw/zinc/12/78/96/252127896.db2.gz KPRWWCLIVMDDEE-LBPRGKRZSA-N 1 0 330.348 1.041 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000415651001 304247950 /nfs/dbraw/zinc/24/79/50/304247950.db2.gz GCZDHSAHCJHRLM-GXFFZTMASA-N 1 0 334.376 1.352 20 5 EDBDRO O=[N+]([O-])c1cnc(N2CC[C@]3(CC[NH2+]C3)C2)c(Br)c1 ZINC000261585059 285177535 /nfs/dbraw/zinc/17/75/35/285177535.db2.gz IFTJZTUWBFURCI-LBPRGKRZSA-N 1 0 327.182 1.942 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437841925 254538715 /nfs/dbraw/zinc/53/87/15/254538715.db2.gz KMUIRMKFMGFEHY-ZDUSSCGKSA-N 1 0 335.408 1.855 20 5 EDBDRO C[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000114141435 220640810 /nfs/dbraw/zinc/64/08/10/220640810.db2.gz JOMSHDLXAXZQTL-AWEZNQCLSA-N 1 0 349.435 1.006 20 5 EDBDRO CC(C)[C@@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000488005098 255040212 /nfs/dbraw/zinc/04/02/12/255040212.db2.gz YAWKACCRKAUHQH-KRWDZBQOSA-N 1 0 346.431 1.756 20 5 EDBDRO COCC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000490093160 255078818 /nfs/dbraw/zinc/07/88/18/255078818.db2.gz SEWINXNAPXKITQ-ZDUSSCGKSA-N 1 0 340.376 1.720 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1cccs1 ZINC000116922596 221010769 /nfs/dbraw/zinc/01/07/69/221010769.db2.gz RQIJTDPJTJNBDD-UHFFFAOYSA-N 1 0 341.414 1.724 20 5 EDBDRO COC[C@H](O)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000117946356 221102161 /nfs/dbraw/zinc/10/21/61/221102161.db2.gz AXFZIOJJNQFNSD-LLVKDONJSA-N 1 0 336.344 1.960 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000117923628 221100580 /nfs/dbraw/zinc/10/05/80/221100580.db2.gz OBVMAQYAIKHYKS-SNVBAGLBSA-N 1 0 347.824 1.820 20 5 EDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118126096 221125428 /nfs/dbraw/zinc/12/54/28/221125428.db2.gz VGEUZOHGGAYWDX-CQSZACIVSA-N 1 0 334.376 1.524 20 5 EDBDRO CC[NH+](CC)CCNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119237667 221274552 /nfs/dbraw/zinc/27/45/52/221274552.db2.gz XAIMCKJMZVTYTR-UHFFFAOYSA-N 1 0 329.422 1.832 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(c3ccc(C(=O)NC)cc3[N+](=O)[O-])[C@H]2C1 ZINC000338735072 285380906 /nfs/dbraw/zinc/38/09/06/285380906.db2.gz ZPZMWGRHZDICNB-HOTGVXAUSA-N 1 0 348.403 1.254 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c1C ZINC000261959562 291994507 /nfs/dbraw/zinc/99/45/07/291994507.db2.gz XMOIMVIUKGCFHJ-GWCFXTLKSA-N 1 0 341.433 1.817 20 5 EDBDRO Cc1ccc(C(=O)N2CCC([N@H+](C)CCCO)CC2)cc1[N+](=O)[O-] ZINC000270348571 140083882 /nfs/dbraw/zinc/08/38/82/140083882.db2.gz FMTGCGUOKLTYLH-UHFFFAOYSA-N 1 0 335.404 1.822 20 5 EDBDRO CS[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270552536 140122380 /nfs/dbraw/zinc/12/23/80/140122380.db2.gz BNHNINYOPGDYKO-HIFRSBDPSA-N 1 0 325.434 1.951 20 5 EDBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1O ZINC000270971696 140210732 /nfs/dbraw/zinc/21/07/32/140210732.db2.gz WGQRSNCNYUKGHV-SMDDNHRTSA-N 1 0 337.376 1.635 20 5 EDBDRO COCC[NH2+]CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000271181062 140252475 /nfs/dbraw/zinc/25/24/75/140252475.db2.gz VVCGLAZZQSQOQD-UHFFFAOYSA-N 1 0 345.783 1.369 20 5 EDBDRO C[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1C)c1ccccc1[N+](=O)[O-] ZINC000271708593 140337298 /nfs/dbraw/zinc/33/72/98/140337298.db2.gz OYFHQPNBGDGNOC-OLZOCXBDSA-N 1 0 335.408 1.201 20 5 EDBDRO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)[NH+](C)C ZINC000272037707 140391267 /nfs/dbraw/zinc/39/12/67/140391267.db2.gz QGYKMXKFZMWAKZ-LBPRGKRZSA-N 1 0 336.392 1.111 20 5 EDBDRO Cc1c(C[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000331192482 140994020 /nfs/dbraw/zinc/99/40/20/140994020.db2.gz QKTDIVXOGCGESK-UONOGXRCSA-N 1 0 341.433 1.853 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000331367770 141012239 /nfs/dbraw/zinc/01/22/39/141012239.db2.gz BOMKPKVUSWTBFU-NHYWBVRUSA-N 1 0 339.417 1.497 20 5 EDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000331393179 141016406 /nfs/dbraw/zinc/01/64/06/141016406.db2.gz KRBKOXWHHKXHIS-CHWSQXEVSA-N 1 0 335.408 1.612 20 5 EDBDRO C[C@@H]1CC[C@H]([N@H+](CCO)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000331599261 141054646 /nfs/dbraw/zinc/05/46/46/141054646.db2.gz CMNZQGMYNJRAFI-HIFRSBDPSA-N 1 0 347.415 1.967 20 5 EDBDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000332099206 141122777 /nfs/dbraw/zinc/12/27/77/141122777.db2.gz CQEZIADHZBGPBG-GJZGRUSLSA-N 1 0 336.392 1.421 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)cc1 ZINC000339757162 142146585 /nfs/dbraw/zinc/14/65/85/142146585.db2.gz CPFUUQICXGRNDY-SJORKVTESA-N 1 0 336.388 1.883 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000340022132 142237620 /nfs/dbraw/zinc/23/76/20/142237620.db2.gz JNIXJVCCBLPGMH-CQSZACIVSA-N 1 0 348.447 1.625 20 5 EDBDRO CC[NH+]1C[C@H](C)N(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000344412362 142963357 /nfs/dbraw/zinc/96/33/57/142963357.db2.gz CWDIYAPNKYMYAC-RYUDHWBXSA-N 1 0 349.387 1.936 20 5 EDBDRO C[NH+](C)Cc1ccccc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000572505588 306591948 /nfs/dbraw/zinc/59/19/48/306591948.db2.gz WMBOHUMPVAQELL-UHFFFAOYSA-N 1 0 330.344 1.457 20 5 EDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345923002 143147546 /nfs/dbraw/zinc/14/75/46/143147546.db2.gz PSYGWBDFDKMEIN-ZIAGYGMSSA-N 1 0 334.420 1.972 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2CCN3C(=O)CC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000346451166 143206170 /nfs/dbraw/zinc/20/61/70/143206170.db2.gz JJXXJRUFIRTWBS-ZDUSSCGKSA-N 1 0 346.387 1.538 20 5 EDBDRO CO[C@@H]1C[C@H](CN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2)[N@H+](C)C1 ZINC000346620144 143222849 /nfs/dbraw/zinc/22/28/49/143222849.db2.gz MFCGDDAOQCYTIH-HUUCEWRRSA-N 1 0 336.392 1.455 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000346664685 143228725 /nfs/dbraw/zinc/22/87/25/143228725.db2.gz OFAXIGTVCBIQIS-ZMLRMANQSA-N 1 0 334.376 1.283 20 5 EDBDRO CO[C@@H]1C[C@H](CN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2N)[N@H+](C)C1 ZINC000346703137 143234698 /nfs/dbraw/zinc/23/46/98/143234698.db2.gz VUEWSKJNFFUKAG-GHMZBOCLSA-N 1 0 340.355 1.107 20 5 EDBDRO Cc1nn(CCC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c(C)c1[N+](=O)[O-] ZINC000347315490 143307394 /nfs/dbraw/zinc/30/73/94/143307394.db2.gz QDVJAMZZVKPBIZ-OAHLLOKOSA-N 1 0 349.435 1.931 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(CC[NH+](C)C)C2CC2)c1C ZINC000347415097 143318477 /nfs/dbraw/zinc/31/84/77/143318477.db2.gz GTRDIOIIOVPIAC-UHFFFAOYSA-N 1 0 341.433 1.926 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000416496917 304325434 /nfs/dbraw/zinc/32/54/34/304325434.db2.gz RHEHICDGEDJOIN-LBPRGKRZSA-N 1 0 327.406 1.442 20 5 EDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000347701113 143351639 /nfs/dbraw/zinc/35/16/39/143351639.db2.gz KRXCDPHKILJXNI-BETUJISGSA-N 1 0 337.424 1.816 20 5 EDBDRO C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000369880421 155216217 /nfs/dbraw/zinc/21/62/17/155216217.db2.gz ALXWUOXTRVJQCD-DOTOQJQBSA-N 1 0 348.447 1.652 20 5 EDBDRO CN1CC[C@@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1=O ZINC000352659037 149104980 /nfs/dbraw/zinc/10/49/80/149104980.db2.gz HTOHCLORJAFTCZ-GFCCVEGCSA-N 1 0 348.359 1.055 20 5 EDBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352872715 149198227 /nfs/dbraw/zinc/19/82/27/149198227.db2.gz FBXPFWQEZMMALO-KCQAQPDRSA-N 1 0 326.397 1.168 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC[C@H]2CCc3ccccc3N2)c1 ZINC000573597521 306626161 /nfs/dbraw/zinc/62/61/61/306626161.db2.gz UEUSUWPULQIDEV-ZBFHGGJFSA-N 1 0 345.403 1.559 20 5 EDBDRO C[C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[NH+]1CC(C)C1 ZINC000573624084 306627233 /nfs/dbraw/zinc/62/72/33/306627233.db2.gz SOYBOVKTWIDQJK-QWHCGFSZSA-N 1 0 333.392 1.343 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)Cn2cccn2)c([N+](=O)[O-])c1 ZINC000354916541 150030295 /nfs/dbraw/zinc/03/02/95/150030295.db2.gz GTRHBFVBTSYXNE-RYUDHWBXSA-N 1 0 347.375 1.805 20 5 EDBDRO CCOc1cc(C(=O)NC[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000355706967 150367482 /nfs/dbraw/zinc/36/74/82/150367482.db2.gz TZNYNELCYZSCBE-LLVKDONJSA-N 1 0 339.392 1.930 20 5 EDBDRO COC(=O)COc1ccc(C[N@H+](C)CCn2cccn2)cc1[N+](=O)[O-] ZINC000355735363 150379772 /nfs/dbraw/zinc/37/97/72/150379772.db2.gz NSOCNXAMAWGLQG-UHFFFAOYSA-N 1 0 348.359 1.475 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000358270060 151323000 /nfs/dbraw/zinc/32/30/00/151323000.db2.gz VXWGAZQJCYWXEW-GLQYFDAESA-N 1 0 348.403 1.816 20 5 EDBDRO COCC[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000361260371 152347394 /nfs/dbraw/zinc/34/73/94/152347394.db2.gz BSDZBCFSYCFQNC-GFCCVEGCSA-N 1 0 333.392 1.624 20 5 EDBDRO COc1ccc(CNC(=O)N(C)[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000417175979 304380346 /nfs/dbraw/zinc/38/03/46/304380346.db2.gz BRBUATBXWHTLJW-ZDUSSCGKSA-N 1 0 336.392 1.887 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000364032054 153127430 /nfs/dbraw/zinc/12/74/30/153127430.db2.gz HJIWRTVFPUHLRK-ZIAGYGMSSA-N 1 0 335.408 1.575 20 5 EDBDRO C[C@H]([NH3+])CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000364118734 153149898 /nfs/dbraw/zinc/14/98/98/153149898.db2.gz GYRVDBFZHSHFFV-YLQAJVPDSA-N 1 0 346.431 1.980 20 5 EDBDRO C[N@H+](CCNC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000364376085 153220839 /nfs/dbraw/zinc/22/08/39/153220839.db2.gz COIPSNPHJIBDNI-ZDUSSCGKSA-N 1 0 336.396 1.232 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000364639543 153291041 /nfs/dbraw/zinc/29/10/41/153291041.db2.gz CGELELZJJKXYSG-MGPQQGTHSA-N 1 0 335.429 1.884 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000364648411 153293839 /nfs/dbraw/zinc/29/38/39/153293839.db2.gz ACSMREIHXDMFRW-JSGCOSHPSA-N 1 0 348.403 1.314 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)n1 ZINC000127055276 292285338 /nfs/dbraw/zinc/28/53/38/292285338.db2.gz NHLQORMTPISHJD-HNNXBMFYSA-N 1 0 333.436 1.905 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)c1C ZINC000120499833 292291128 /nfs/dbraw/zinc/29/11/28/292291128.db2.gz VYZDGNIWQNPZIS-CYBMUJFWSA-N 1 0 341.433 1.926 20 5 EDBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000575159645 306665783 /nfs/dbraw/zinc/66/57/83/306665783.db2.gz ZVOAKVWWLBNKAO-ZDUSSCGKSA-N 1 0 340.330 1.660 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000373953368 157079562 /nfs/dbraw/zinc/07/95/62/157079562.db2.gz FJFSVWSAFYPIPS-GFCCVEGCSA-N 1 0 333.392 1.543 20 5 EDBDRO Cc1nn(CCC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000374628689 157349855 /nfs/dbraw/zinc/34/98/55/157349855.db2.gz GZSJXWRJJAEIOJ-MJBXVCDLSA-N 1 0 335.408 1.384 20 5 EDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000374632051 157351422 /nfs/dbraw/zinc/35/14/22/157351422.db2.gz PRNMDRVJIUBJQG-GLQYFDAESA-N 1 0 332.404 1.860 20 5 EDBDRO CC[N@@H+]1CCc2c(cccc2NC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000378399568 158163420 /nfs/dbraw/zinc/16/34/20/158163420.db2.gz GEAMPEIOEFTUHO-UHFFFAOYSA-N 1 0 329.360 1.959 20 5 EDBDRO O=C(CCN1CC[NH+]([C@H]2CCOC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000378400833 158164365 /nfs/dbraw/zinc/16/43/65/158164365.db2.gz WNCUIAOCRHXNPZ-INIZCTEOSA-N 1 0 348.403 1.330 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000378408416 158166305 /nfs/dbraw/zinc/16/63/05/158166305.db2.gz ZJASZCCLJVRBIW-CYBMUJFWSA-N 1 0 335.408 1.666 20 5 EDBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ncc[nH]1 ZINC000378518381 158197962 /nfs/dbraw/zinc/19/79/62/158197962.db2.gz RVJMUKDFZWEOSC-CYBMUJFWSA-N 1 0 343.343 1.411 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000378538928 158203369 /nfs/dbraw/zinc/20/33/69/158203369.db2.gz HVPZGDCCBHQKPJ-OBJOEFQTSA-N 1 0 330.388 1.733 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000364952827 162345190 /nfs/dbraw/zinc/34/51/90/162345190.db2.gz JVINOHFWBDQJFO-CYBMUJFWSA-N 1 0 336.392 1.824 20 5 EDBDRO COc1cc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000366549280 162392327 /nfs/dbraw/zinc/39/23/27/162392327.db2.gz DUTWDMBFYGFEIM-AWEZNQCLSA-N 1 0 349.387 1.587 20 5 EDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159938222 225306595 /nfs/dbraw/zinc/30/65/95/225306595.db2.gz MBTAUNAOEFEMGM-XVJNWHFHSA-N 1 0 333.388 1.571 20 5 EDBDRO CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161378477 225615195 /nfs/dbraw/zinc/61/51/95/225615195.db2.gz QULZNRNEPMKOAL-FOSCPWQOSA-N 1 0 337.351 1.854 20 5 EDBDRO O=C(NC[C@H]1CCC[NH2+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418369936 304486870 /nfs/dbraw/zinc/48/68/70/304486870.db2.gz OBFVHSSDWZIOLN-CYBMUJFWSA-N 1 0 348.403 1.900 20 5 EDBDRO C[NH+](C)CCOc1cc(CNC(=O)c2ccc([N+](=O)[O-])o2)ccn1 ZINC000124334267 222413314 /nfs/dbraw/zinc/41/33/14/222413314.db2.gz CTIBTULEBWHPJV-UHFFFAOYSA-N 1 0 334.332 1.453 20 5 EDBDRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000130671243 533684773 /nfs/dbraw/zinc/68/47/73/533684773.db2.gz WFAWADWQLIBWNI-CYBMUJFWSA-N 1 0 341.433 1.746 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000273470753 268045842 /nfs/dbraw/zinc/04/58/42/268045842.db2.gz KDHZHDDQKFJPRS-QWRGUYRKSA-N 1 0 342.421 1.527 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000274057481 268103473 /nfs/dbraw/zinc/10/34/73/268103473.db2.gz ZOUAFOJSSWJHBK-DOMZBBRYSA-N 1 0 341.433 1.946 20 5 EDBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000273945758 273061124 /nfs/dbraw/zinc/06/11/24/273061124.db2.gz DULKHHILEANGRH-NWDGAFQWSA-N 1 0 337.376 1.947 20 5 EDBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000274194664 273076558 /nfs/dbraw/zinc/07/65/58/273076558.db2.gz IWMIWFQCANBFBQ-DYEKYZERSA-N 1 0 340.376 1.512 20 5 EDBDRO Cn1nccc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000284553701 274242660 /nfs/dbraw/zinc/24/26/60/274242660.db2.gz NUFKFAABYDKUGD-QMTHXVAHSA-N 1 0 335.389 1.499 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H]1C ZINC000357324300 274272733 /nfs/dbraw/zinc/27/27/33/274272733.db2.gz POADWYSKVNKLEP-NWDGAFQWSA-N 1 0 331.376 1.429 20 5 EDBDRO CC(C)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1nnc2ccccn21 ZINC000347691462 275704896 /nfs/dbraw/zinc/70/48/96/275704896.db2.gz ZQMVOVBHUNQORB-AWEZNQCLSA-N 1 0 329.364 1.821 20 5 EDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000420241035 277935729 /nfs/dbraw/zinc/93/57/29/277935729.db2.gz VDTTYQBCSSTCDM-NWDGAFQWSA-N 1 0 343.387 1.746 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)n1 ZINC000286501421 288020956 /nfs/dbraw/zinc/02/09/56/288020956.db2.gz MZIVPIQUCZFXNW-NWDGAFQWSA-N 1 0 340.405 1.258 20 5 EDBDRO C[C@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CC(C)(C)O ZINC000493551108 278391363 /nfs/dbraw/zinc/39/13/63/278391363.db2.gz MVWIJLFZIBTPAK-PIZKADEWSA-N 1 0 347.415 1.912 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC(C)(C)C[NH3+])cc1C ZINC000262292053 278744244 /nfs/dbraw/zinc/74/42/44/278744244.db2.gz NJHLWBBWDNNMJX-UHFFFAOYSA-N 1 0 329.422 1.817 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@H]1CC[NH3+] ZINC000261928839 278746563 /nfs/dbraw/zinc/74/65/63/278746563.db2.gz JDJRSRFFERGOHP-LBPRGKRZSA-N 1 0 327.406 1.795 20 5 EDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000286906256 288115351 /nfs/dbraw/zinc/11/53/51/288115351.db2.gz LZYBRCPOLSOEBQ-QGPMSJSTSA-N 1 0 349.431 1.893 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000365504607 279799273 /nfs/dbraw/zinc/79/92/73/279799273.db2.gz XMVVGMORSJJNFM-WBVHZDCISA-N 1 0 347.415 1.754 20 5 EDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC(C)(C)OCCO ZINC000287235783 288188304 /nfs/dbraw/zinc/18/83/04/288188304.db2.gz GYPJEWCBEJLLCE-LBPRGKRZSA-N 1 0 339.392 1.689 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000362568651 280167949 /nfs/dbraw/zinc/16/79/49/280167949.db2.gz LICCEDLZGDSNCO-UHFFFAOYSA-N 1 0 336.392 1.640 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000128628983 280394714 /nfs/dbraw/zinc/39/47/14/280394714.db2.gz XNIKEFDHSUBMNM-HUUCEWRRSA-N 1 0 331.376 1.727 20 5 EDBDRO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000369408001 281186974 /nfs/dbraw/zinc/18/69/74/281186974.db2.gz JDMXAERAYBSJRJ-STQMWFEESA-N 1 0 335.408 1.726 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000236799410 281261122 /nfs/dbraw/zinc/26/11/22/281261122.db2.gz KLMAGWFAFYIERF-LBPRGKRZSA-N 1 0 329.422 1.897 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H](C)C[NH+](C)C ZINC000288110513 288406240 /nfs/dbraw/zinc/40/62/40/288406240.db2.gz JFMRURQJNZIASW-QMMMGPOBSA-N 1 0 326.328 1.047 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000291200853 289017166 /nfs/dbraw/zinc/01/71/66/289017166.db2.gz GAROLKLQPMYCQQ-CQSZACIVSA-N 1 0 327.360 1.120 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292118104 289265003 /nfs/dbraw/zinc/26/50/03/289265003.db2.gz JWZSGCSROQUPKM-QGZVFWFLSA-N 1 0 348.403 1.570 20 5 EDBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)C[NH+](C)C ZINC000292470238 289356733 /nfs/dbraw/zinc/35/67/33/289356733.db2.gz BBFRTPRMEFDGEA-VIFPVBQESA-N 1 0 333.385 1.518 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000292486542 289360521 /nfs/dbraw/zinc/36/05/21/289360521.db2.gz CEHFALPRNXBRDU-VIFPVBQESA-N 1 0 335.813 1.724 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000292648441 289403190 /nfs/dbraw/zinc/40/31/90/289403190.db2.gz NQQHNXWICYUQJJ-SNVBAGLBSA-N 1 0 329.422 1.688 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000065867012 293394667 /nfs/dbraw/zinc/39/46/67/293394667.db2.gz WYERPSDVYIAGLL-AWEZNQCLSA-N 1 0 337.424 1.726 20 5 EDBDRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000261977223 295237764 /nfs/dbraw/zinc/23/77/64/295237764.db2.gz QVPRTJVRYIHSBY-JTQLQIEISA-N 1 0 347.824 1.998 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000418590806 304515460 /nfs/dbraw/zinc/51/54/60/304515460.db2.gz UCUAJWUTGCHZNT-KGLIPLIRSA-N 1 0 347.419 1.696 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419800657 304685993 /nfs/dbraw/zinc/68/59/93/304685993.db2.gz IJOFXALIOVSNLN-UHFFFAOYSA-N 1 0 348.403 1.331 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000262522339 302044934 /nfs/dbraw/zinc/04/49/34/302044934.db2.gz OHDUANYXKQZWIX-NEPJUHHUSA-N 1 0 325.390 1.276 20 5 EDBDRO CC1(C)OCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000294390952 303101013 /nfs/dbraw/zinc/10/10/13/303101013.db2.gz RZKGSKUPSDCKKO-ZDUSSCGKSA-N 1 0 328.390 1.526 20 5 EDBDRO CC1(C)OCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000294390950 303101246 /nfs/dbraw/zinc/10/12/46/303101246.db2.gz RZKGSKUPSDCKKO-CYBMUJFWSA-N 1 0 328.390 1.526 20 5 EDBDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000294474222 303112448 /nfs/dbraw/zinc/11/24/48/303112448.db2.gz BBNZEUOAVPCFDW-ZWNOBZJWSA-N 1 0 341.795 1.775 20 5 EDBDRO COc1ccc(NC(=O)CN(C)CC(C)(C)CO)c([N+](=O)[O-])c1 ZINC000295240331 303193213 /nfs/dbraw/zinc/19/32/13/303193213.db2.gz PFHLLBBQYQMBDP-UHFFFAOYSA-N 1 0 325.365 1.492 20 5 EDBDRO COCC[N@H+](C)CCNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000295467792 303223746 /nfs/dbraw/zinc/22/37/46/303223746.db2.gz ILDYTYDWPBDQDD-UHFFFAOYSA-N 1 0 325.365 1.300 20 5 EDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)C[C@H]2C1 ZINC000295817665 303271617 /nfs/dbraw/zinc/27/16/17/303271617.db2.gz BROOUYNSJSAZMU-BETUJISGSA-N 1 0 341.371 1.619 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000295824828 303272522 /nfs/dbraw/zinc/27/25/22/303272522.db2.gz VOWBKMYVTSMSMX-MNOVXSKESA-N 1 0 325.365 1.539 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000296347847 303312111 /nfs/dbraw/zinc/31/21/11/303312111.db2.gz RNQXTRFFANWMPN-DZUCGIPZSA-N 1 0 348.399 1.882 20 5 EDBDRO C[NH+](C)CC1(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCC1 ZINC000296747565 303335610 /nfs/dbraw/zinc/33/56/10/303335610.db2.gz KHBXFTBBJFQMEH-UHFFFAOYSA-N 1 0 327.406 1.895 20 5 EDBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000299579111 303631591 /nfs/dbraw/zinc/63/15/91/303631591.db2.gz BQWYIFWYXSLAJM-UHFFFAOYSA-N 1 0 337.424 1.762 20 5 EDBDRO C[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000301223306 303667051 /nfs/dbraw/zinc/66/70/51/303667051.db2.gz DNRXCURTFLJUFS-LLVKDONJSA-N 1 0 346.391 1.291 20 5 EDBDRO Cn1cc([C@@H](CNc2ccc([N+](=O)[O-])cc2C(N)=O)[NH+](C)C)cn1 ZINC000301303141 303671708 /nfs/dbraw/zinc/67/17/08/303671708.db2.gz WKFSVTUXUZDLOD-CQSZACIVSA-N 1 0 332.364 1.142 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000423944122 304920322 /nfs/dbraw/zinc/92/03/22/304920322.db2.gz DUSLTVGHUALOKZ-GWCFXTLKSA-N 1 0 336.392 1.203 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000423978300 304921953 /nfs/dbraw/zinc/92/19/53/304921953.db2.gz KXYHWCXWRXTZDD-UHFFFAOYSA-N 1 0 336.377 1.354 20 5 EDBDRO C[C@@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C[NH3+] ZINC000424008674 304924835 /nfs/dbraw/zinc/92/48/35/304924835.db2.gz HJXBHNGYHKAGEG-CHWSQXEVSA-N 1 0 343.387 1.837 20 5 EDBDRO C[C@H]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C[NH3+] ZINC000424017099 304925447 /nfs/dbraw/zinc/92/54/47/304925447.db2.gz ORISKECJHXDREO-AAEUAGOBSA-N 1 0 349.387 1.352 20 5 EDBDRO [NH3+][C@@H]1C[C@@H]1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000424067279 304927229 /nfs/dbraw/zinc/92/72/29/304927229.db2.gz PDVQYADICBHVNW-DTWKUNHWSA-N 1 0 332.282 1.489 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1[NH3+] ZINC000429146515 305024465 /nfs/dbraw/zinc/02/44/65/305024465.db2.gz ZZALQJZBOVPWQV-FZMZJTMJSA-N 1 0 329.360 1.590 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000430567724 305056094 /nfs/dbraw/zinc/05/60/94/305056094.db2.gz GDBSRAQHMSYCEJ-GXTWGEPZSA-N 1 0 332.404 1.543 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000440437339 305206727 /nfs/dbraw/zinc/20/67/27/305206727.db2.gz CEANHPOGNRHXCQ-GWCFXTLKSA-N 1 0 327.406 1.515 20 5 EDBDRO O=C(C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)NCC(F)(F)F ZINC000447542165 305281722 /nfs/dbraw/zinc/28/17/22/305281722.db2.gz OBDFQXQJFBXZBQ-UWVGGRQHSA-N 1 0 349.313 1.543 20 5 EDBDRO O=C(NCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448707297 305301753 /nfs/dbraw/zinc/30/17/53/305301753.db2.gz JQIZCMUVNXAYSX-UHFFFAOYSA-N 1 0 343.387 1.996 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451424865 305345314 /nfs/dbraw/zinc/34/53/14/305345314.db2.gz GOECHVRYFNWFGH-OAHLLOKOSA-N 1 0 343.330 1.934 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451437069 305346162 /nfs/dbraw/zinc/34/61/62/305346162.db2.gz SFVQVKBNZNYQJZ-OAHLLOKOSA-N 1 0 343.330 1.934 20 5 EDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493404611 305616590 /nfs/dbraw/zinc/61/65/90/305616590.db2.gz WLOYXKBMAIXUBJ-XVJNWHFHSA-N 1 0 335.404 1.817 20 5 EDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000535728263 306015352 /nfs/dbraw/zinc/01/53/52/306015352.db2.gz VRWKHEPIRMNQKG-ZDUSSCGKSA-N 1 0 343.387 1.852 20 5 EDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000493717056 447374901 /nfs/dbraw/zinc/37/49/01/447374901.db2.gz MEWBWMMYRHGDLC-URWSZGRFSA-N 1 0 327.344 1.978 20 5 EDBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000456393569 447385618 /nfs/dbraw/zinc/38/56/18/447385618.db2.gz YEJYCBAJIYFGAD-AWEZNQCLSA-N 1 0 334.420 1.974 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000419755610 447396186 /nfs/dbraw/zinc/39/61/86/447396186.db2.gz DUHKFRGACANKPO-GXTWGEPZSA-N 1 0 348.403 1.105 20 5 EDBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCC[C@H]1O ZINC000426251695 447407225 /nfs/dbraw/zinc/40/72/25/447407225.db2.gz YQNLCSSMKTVBNW-GDBMZVCRSA-N 1 0 333.388 1.719 20 5 EDBDRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2)CC1 ZINC000047523047 441199651 /nfs/dbraw/zinc/19/96/51/441199651.db2.gz UKACZKCUYQCWRR-UHFFFAOYSA-N 1 0 341.371 1.994 20 5 EDBDRO C[NH+]1CCC(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000061031688 441264005 /nfs/dbraw/zinc/26/40/05/441264005.db2.gz XSCPAXFRJWEGTI-UHFFFAOYSA-N 1 0 329.360 1.605 20 5 EDBDRO CC[NH+](CC)CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000072902763 441275197 /nfs/dbraw/zinc/27/51/97/441275197.db2.gz YBFRPOXKHWLACN-UHFFFAOYSA-N 1 0 337.376 1.828 20 5 EDBDRO CC(C)(O)C[NH+]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000106402198 441340274 /nfs/dbraw/zinc/34/02/74/441340274.db2.gz BCPNMAFSHGWJFB-VOTSOKGWSA-N 1 0 333.388 1.523 20 5 EDBDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000064994930 441399897 /nfs/dbraw/zinc/39/98/97/441399897.db2.gz CLMLPHYBLHBEBO-DZGCQCFKSA-N 1 0 335.404 1.958 20 5 EDBDRO COC[C@@](C)(CCO)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000085904183 441455212 /nfs/dbraw/zinc/45/52/12/441455212.db2.gz XXDCDUNRNSBWSR-OAHLLOKOSA-N 1 0 325.365 1.219 20 5 EDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000066136892 441506145 /nfs/dbraw/zinc/50/61/45/441506145.db2.gz FRIKMYHXXKHDEJ-LBPRGKRZSA-N 1 0 336.392 1.171 20 5 EDBDRO C[NH+](C)CCCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000054104511 441559136 /nfs/dbraw/zinc/55/91/36/441559136.db2.gz ZZPQVKABPCHXNC-UHFFFAOYSA-N 1 0 335.408 1.378 20 5 EDBDRO O=[N+]([O-])c1cnccc1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000066808383 441570609 /nfs/dbraw/zinc/57/06/09/441570609.db2.gz PKPNFASGPPTNQX-OAHLLOKOSA-N 1 0 328.372 1.821 20 5 EDBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000076071293 441593235 /nfs/dbraw/zinc/59/32/35/441593235.db2.gz CCFBEGXKJTZMLO-KWCYVHTRSA-N 1 0 328.438 1.758 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000113305819 441602079 /nfs/dbraw/zinc/60/20/79/441602079.db2.gz YEWPJLDBQJPIQM-STQMWFEESA-N 1 0 339.417 1.760 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000090015517 441614288 /nfs/dbraw/zinc/61/42/88/441614288.db2.gz JUFFTDQUDFEMTK-YNEHKIRRSA-N 1 0 339.417 1.651 20 5 EDBDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000090015447 441614770 /nfs/dbraw/zinc/61/47/70/441614770.db2.gz JFLLJSFLMJMSKB-GFCCVEGCSA-N 1 0 329.422 1.897 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCCO)Cc1ccccc1 ZINC000090552683 441634919 /nfs/dbraw/zinc/63/49/19/441634919.db2.gz AZJLSECBXIEMRM-UHFFFAOYSA-N 1 0 331.372 1.641 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000136970524 441734246 /nfs/dbraw/zinc/73/42/46/441734246.db2.gz ANVBFLWMRTXJMN-ZDUSSCGKSA-N 1 0 348.403 1.529 20 5 EDBDRO COc1ccc(OCC[N@@H+](CC(N)=O)CC(C)C)c([N+](=O)[O-])c1 ZINC000173518381 441774635 /nfs/dbraw/zinc/77/46/35/441774635.db2.gz XVAROKLWVNWPQD-UHFFFAOYSA-N 1 0 325.365 1.426 20 5 EDBDRO CC[NH+]1CCN([C@H](C)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000043146191 441822626 /nfs/dbraw/zinc/82/26/26/441822626.db2.gz VMJYAEYJFHCHCR-CYBMUJFWSA-N 1 0 335.408 1.742 20 5 EDBDRO C[C@H](CC[NH+](C)C)NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000068593669 441828494 /nfs/dbraw/zinc/82/84/94/441828494.db2.gz MEDSDZOQQFVFPF-CQSZACIVSA-N 1 0 349.435 1.767 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](CCN(C)C)CC2)c1 ZINC000173723995 441829627 /nfs/dbraw/zinc/82/96/27/441829627.db2.gz CPIOUTBFIZYBJH-UHFFFAOYSA-N 1 0 348.447 1.907 20 5 EDBDRO CC[C@H](O)CN1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000119784469 441951788 /nfs/dbraw/zinc/95/17/88/441951788.db2.gz FNJNTQFMFFIBAI-NSHDSACASA-N 1 0 327.356 1.635 20 5 EDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000161076236 441953204 /nfs/dbraw/zinc/95/32/04/441953204.db2.gz NNXACTXHAZUFAU-STQMWFEESA-N 1 0 329.360 1.780 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000069503360 441956411 /nfs/dbraw/zinc/95/64/11/441956411.db2.gz IBRUSPGWMQCTKV-ZDUSSCGKSA-N 1 0 346.387 1.917 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000069527249 441964177 /nfs/dbraw/zinc/96/41/77/441964177.db2.gz KGNYKFFAKWRMNB-CYBMUJFWSA-N 1 0 337.376 1.444 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000125170094 441991884 /nfs/dbraw/zinc/99/18/84/441991884.db2.gz OFMLARADHISNGA-CMPLNLGQSA-N 1 0 327.406 1.658 20 5 EDBDRO CSCC[C@@H]([NH3+])C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000161543406 442010681 /nfs/dbraw/zinc/01/06/81/442010681.db2.gz GIBSGOCXJBBXLR-GFCCVEGCSA-N 1 0 340.449 1.902 20 5 EDBDRO NC(=O)C[C@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000175204527 442016846 /nfs/dbraw/zinc/01/68/46/442016846.db2.gz CTXRPOXXIWGLJY-GFCCVEGCSA-N 1 0 346.387 1.071 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000162196724 442073061 /nfs/dbraw/zinc/07/30/61/442073061.db2.gz STBMXXKIHVTSMW-MRXNPFEDSA-N 1 0 332.404 1.333 20 5 EDBDRO Cn1cncc1CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000121268988 442197515 /nfs/dbraw/zinc/19/75/15/442197515.db2.gz DOKXPSHFBZDVLS-UHFFFAOYSA-N 1 0 327.344 1.711 20 5 EDBDRO CC[NH+](CC)[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)c1ccco1 ZINC000164494250 442197537 /nfs/dbraw/zinc/19/75/37/442197537.db2.gz YUVMLKAUSOXKOY-LLVKDONJSA-N 1 0 335.364 1.734 20 5 EDBDRO CCS(=O)(=O)NCCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000127618995 442216103 /nfs/dbraw/zinc/21/61/03/442216103.db2.gz IYGFDYPLUCPVAD-LBPRGKRZSA-N 1 0 329.422 1.883 20 5 EDBDRO C[C@]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)(C(N)=O)c1ccccc1 ZINC000170644377 442240601 /nfs/dbraw/zinc/24/06/01/442240601.db2.gz QUSUNEBOOSVMOZ-QGZVFWFLSA-N 1 0 329.356 1.964 20 5 EDBDRO CNC(=O)[C@@H](C)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128817114 442289918 /nfs/dbraw/zinc/28/99/18/442289918.db2.gz XMSVASOXGMORRJ-JTQLQIEISA-N 1 0 340.355 1.376 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[N@@H+]1C1CC1 ZINC000177163836 442308329 /nfs/dbraw/zinc/30/83/29/442308329.db2.gz BHVBONPNKVUQSV-NXEZZACHSA-N 1 0 329.360 1.826 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000171900204 442389036 /nfs/dbraw/zinc/38/90/36/442389036.db2.gz JTEMXPZTXFRYKA-AWEZNQCLSA-N 1 0 336.392 1.505 20 5 EDBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000172126045 442411615 /nfs/dbraw/zinc/41/16/15/442411615.db2.gz FEQGREMBNJEYHU-GJZGRUSLSA-N 1 0 349.435 1.904 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172421524 442457983 /nfs/dbraw/zinc/45/79/83/442457983.db2.gz OCCFKXOCZHSZBY-UHFFFAOYSA-N 1 0 349.435 1.967 20 5 EDBDRO C[C@H]([NH3+])CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000178631368 442449863 /nfs/dbraw/zinc/44/98/63/442449863.db2.gz QPYUTTWHFZXWKV-UWVGGRQHSA-N 1 0 340.405 1.114 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CCCO)c2ccccc2)c1 ZINC000179760687 442498268 /nfs/dbraw/zinc/49/82/68/442498268.db2.gz IPSVDIKNORQTHC-JKSUJKDBSA-N 1 0 334.376 1.256 20 5 EDBDRO CCOC(=O)C1(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000134326374 442470276 /nfs/dbraw/zinc/47/02/76/442470276.db2.gz JYXDDHZCYJYLTA-UHFFFAOYSA-N 1 0 349.387 1.281 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000191953596 442546114 /nfs/dbraw/zinc/54/61/14/442546114.db2.gz LWTYTJXUJHJGFE-ZDUSSCGKSA-N 1 0 341.433 1.832 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000191863389 442526646 /nfs/dbraw/zinc/52/66/46/442526646.db2.gz POQKEMWCZBGMNV-OCCSQVGLSA-N 1 0 347.419 1.900 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000186684020 442591626 /nfs/dbraw/zinc/59/16/26/442591626.db2.gz APQGPABDQNKNNB-YPMHNXCESA-N 1 0 329.360 1.508 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186705170 442596252 /nfs/dbraw/zinc/59/62/52/442596252.db2.gz KWOOTCAMRTXLCC-DOTOQJQBSA-N 1 0 344.371 1.284 20 5 EDBDRO CC1CC[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000180533200 442617593 /nfs/dbraw/zinc/61/75/93/442617593.db2.gz MLPKDVYIPRPCRF-UHFFFAOYSA-N 1 0 335.408 1.814 20 5 EDBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])cnc1N)Cc1ccccc1 ZINC000180544839 442619687 /nfs/dbraw/zinc/61/96/87/442619687.db2.gz MDVHZDIXGVXQCL-UHFFFAOYSA-N 1 0 329.360 1.434 20 5 EDBDRO CC[N@@H+](Cc1cnn(C)c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182229176 442747730 /nfs/dbraw/zinc/74/77/30/442747730.db2.gz YWBVLJUMOUVDTO-CQSZACIVSA-N 1 0 334.376 1.590 20 5 EDBDRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000193880627 442804431 /nfs/dbraw/zinc/80/44/31/442804431.db2.gz BJZHEJYFLKZQQR-LLVKDONJSA-N 1 0 345.396 1.887 20 5 EDBDRO Cc1c(CC(=O)NCCCN2CCC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000610970361 450396187 /nfs/dbraw/zinc/39/61/87/450396187.db2.gz UEUGGDKJIIKSFU-UHFFFAOYSA-N 1 0 348.447 1.590 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000268139401 442865108 /nfs/dbraw/zinc/86/51/08/442865108.db2.gz NJECCTPDPGVONI-AWEZNQCLSA-N 1 0 344.375 1.342 20 5 EDBDRO CCOC(=O)c1cc(N2CC[NH+](C[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000189192599 442894650 /nfs/dbraw/zinc/89/46/50/442894650.db2.gz BGYNHLLXVVLWFZ-LBPRGKRZSA-N 1 0 337.376 1.274 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000183237190 442909477 /nfs/dbraw/zinc/90/94/77/442909477.db2.gz RJHKPOHYXKNYNW-UHFFFAOYSA-N 1 0 347.415 1.974 20 5 EDBDRO [NH3+]CCN(Cc1ccccc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000194751231 442949106 /nfs/dbraw/zinc/94/91/06/442949106.db2.gz VPFIJZPSQQELLG-UHFFFAOYSA-N 1 0 349.412 1.886 20 5 EDBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(C)cccc3[N+](=O)[O-])C2)CC1 ZINC000194612079 442923336 /nfs/dbraw/zinc/92/33/36/442923336.db2.gz WKDDXYITCZDFTH-OAHLLOKOSA-N 1 0 346.431 1.755 20 5 EDBDRO Cc1c(C(=O)NC[C@H]2CCC[N@H+]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000194711896 442941194 /nfs/dbraw/zinc/94/11/94/442941194.db2.gz GSDYXPDIEGXUDG-CQSZACIVSA-N 1 0 344.375 1.308 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000265853835 442946061 /nfs/dbraw/zinc/94/60/61/442946061.db2.gz ZFPJOPOHMMBHMQ-WBVHZDCISA-N 1 0 349.431 1.752 20 5 EDBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000194943896 442971561 /nfs/dbraw/zinc/97/15/61/442971561.db2.gz JMCWKRRBSCAZMM-GFCCVEGCSA-N 1 0 327.406 1.839 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000249548005 442985296 /nfs/dbraw/zinc/98/52/96/442985296.db2.gz KLQRQGYGDRJMCM-IINYFYTJSA-N 1 0 341.433 1.960 20 5 EDBDRO CNC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000183681432 442952464 /nfs/dbraw/zinc/95/24/64/442952464.db2.gz JXCASQFUOHCQHC-HNNXBMFYSA-N 1 0 336.392 1.592 20 5 EDBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000296017269 318657817 /nfs/dbraw/zinc/65/78/17/318657817.db2.gz MXDOSGHUQGIUAN-NOXHYTERSA-N 1 0 338.404 1.984 20 5 EDBDRO CC[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000255118975 443086083 /nfs/dbraw/zinc/08/60/83/443086083.db2.gz XPMLCSDWZFRQFH-LOWICHSDSA-N 1 0 347.415 1.912 20 5 EDBDRO O=C(NCCCCC[NH+]1CCCC1)NCCn1cc([N+](=O)[O-])cn1 ZINC000296626198 318712888 /nfs/dbraw/zinc/71/28/88/318712888.db2.gz YLUXMFJHACGUDK-UHFFFAOYSA-N 1 0 338.412 1.357 20 5 EDBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000184898011 443094198 /nfs/dbraw/zinc/09/41/98/443094198.db2.gz FOYKNMQVGWJTCM-WMLDXEAASA-N 1 0 337.420 1.592 20 5 EDBDRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000190156209 443065022 /nfs/dbraw/zinc/06/50/22/443065022.db2.gz DTWCPRBLMUXVIX-NSHDSACASA-N 1 0 327.406 1.527 20 5 EDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000236653015 443141820 /nfs/dbraw/zinc/14/18/20/443141820.db2.gz OOGUKJKCOLSVDN-BZNIZROVSA-N 1 0 336.392 1.203 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266655352 443199462 /nfs/dbraw/zinc/19/94/62/443199462.db2.gz IFIBFNAFWWGFIR-UHFFFAOYSA-N 1 0 338.408 1.405 20 5 EDBDRO C[C@@H](O)CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C)CO ZINC000190894366 443206028 /nfs/dbraw/zinc/20/60/28/443206028.db2.gz IHYNSIHHHLKFTK-WDEREUQCSA-N 1 0 336.348 1.208 20 5 EDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000269134018 443208671 /nfs/dbraw/zinc/20/86/71/443208671.db2.gz PQFGRTGHSBHETH-QMMMGPOBSA-N 1 0 346.156 1.930 20 5 EDBDRO C[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[N@H+](C)Cc1ccccc1 ZINC000269159800 443217366 /nfs/dbraw/zinc/21/73/66/443217366.db2.gz UBVCIUKDOFFWKZ-ZDUSSCGKSA-N 1 0 331.376 1.428 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH2+]1 ZINC000262954580 443218505 /nfs/dbraw/zinc/21/85/05/443218505.db2.gz VUNTWRFLAQNFCP-VXGBXAGGSA-N 1 0 329.360 1.651 20 5 EDBDRO Cc1c(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000269251726 443251378 /nfs/dbraw/zinc/25/13/78/443251378.db2.gz ZZEFPCXKJCHGGP-GHMZBOCLSA-N 1 0 336.348 1.929 20 5 EDBDRO CC[N@@H+]1CC[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000412829826 319243673 /nfs/dbraw/zinc/24/36/73/319243673.db2.gz AIIJFFQAOREGEQ-JTQLQIEISA-N 1 0 330.344 1.673 20 5 EDBDRO C[NH+]1CCN(C[C@H](O)COc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000414125064 319317736 /nfs/dbraw/zinc/31/77/36/319317736.db2.gz LRDMBLOUSJBUDY-ZDUSSCGKSA-N 1 0 346.387 1.130 20 5 EDBDRO CC[N@@H+]1CCCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000269315182 443279066 /nfs/dbraw/zinc/27/90/66/443279066.db2.gz ZDIYRHRCTJKYJT-UHFFFAOYSA-N 1 0 341.433 1.495 20 5 EDBDRO CN(CCCN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000264606714 443344358 /nfs/dbraw/zinc/34/43/58/443344358.db2.gz DJHNDPDKYPVUDZ-UHFFFAOYSA-N 1 0 337.380 1.577 20 5 EDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000264601245 443342397 /nfs/dbraw/zinc/34/23/97/443342397.db2.gz CPPRLFRTNIYMFG-ZDUSSCGKSA-N 1 0 332.404 1.997 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272592437 443376318 /nfs/dbraw/zinc/37/63/18/443376318.db2.gz NYIXZIASTXBREJ-ZBFHGGJFSA-N 1 0 332.404 1.873 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000419273942 319579894 /nfs/dbraw/zinc/57/98/94/319579894.db2.gz RAOKRUJGEOIKHN-DYEKYZERSA-N 1 0 348.403 1.337 20 5 EDBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000419277609 319581076 /nfs/dbraw/zinc/58/10/76/319581076.db2.gz UXTAXRGKIUZWIA-NEPJUHHUSA-N 1 0 336.392 1.195 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000420425953 319617147 /nfs/dbraw/zinc/61/71/47/319617147.db2.gz TYCFZULEPDXUOJ-IINYFYTJSA-N 1 0 341.433 1.960 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(CCCO)CC2)c1 ZINC000272877925 443476038 /nfs/dbraw/zinc/47/60/38/443476038.db2.gz WEPMPZOTDVDGRZ-INIZCTEOSA-N 1 0 338.404 1.819 20 5 EDBDRO C[C@H]1COc2ccccc2C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000272908604 443486593 /nfs/dbraw/zinc/48/65/93/443486593.db2.gz HCUCMBUHYHGVGY-SWLSCSKDSA-N 1 0 332.360 1.435 20 5 EDBDRO C[C@H]1C[N@H+](CCCNC(=O)c2c(N)cccc2[N+](=O)[O-])CCCO1 ZINC000278800386 443444774 /nfs/dbraw/zinc/44/47/74/443444774.db2.gz ZCODZKKFTQARKC-LBPRGKRZSA-N 1 0 336.392 1.408 20 5 EDBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000278857020 443463838 /nfs/dbraw/zinc/46/38/38/443463838.db2.gz XWLLFLPVESSEFY-PHIMTYICSA-N 1 0 337.351 1.908 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@@H](CC[NH3+])C(F)F)cc([N+](=O)[O-])c1 ZINC000423695713 319802796 /nfs/dbraw/zinc/80/27/96/319802796.db2.gz HFOBKCYZWZIUSY-NSHDSACASA-N 1 0 345.302 1.484 20 5 EDBDRO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000283131289 443534804 /nfs/dbraw/zinc/53/48/04/443534804.db2.gz KWKNBCSSDKYMAS-UHFFFAOYSA-N 1 0 342.403 1.922 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000273409103 443571255 /nfs/dbraw/zinc/57/12/55/443571255.db2.gz XIEYNSUMVZAROJ-CQSZACIVSA-N 1 0 336.388 1.837 20 5 EDBDRO C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272263935 443573240 /nfs/dbraw/zinc/57/32/40/443573240.db2.gz KNBXBURNQHRZOO-JSGCOSHPSA-N 1 0 343.387 1.958 20 5 EDBDRO C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000273449451 443573676 /nfs/dbraw/zinc/57/36/76/443573676.db2.gz OMWUWBFIEHZAJM-QWHCGFSZSA-N 1 0 341.433 1.441 20 5 EDBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272203460 443555683 /nfs/dbraw/zinc/55/56/83/443555683.db2.gz OWTLXILIFUZUGA-NWDGAFQWSA-N 1 0 333.344 1.680 20 5 EDBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])cc1 ZINC000286029137 443629241 /nfs/dbraw/zinc/62/92/41/443629241.db2.gz KCTQGGOJQSNIOZ-ZDUSSCGKSA-N 1 0 347.375 1.668 20 5 EDBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000428422177 319911714 /nfs/dbraw/zinc/91/17/14/319911714.db2.gz QSLCVGKCIRDJAY-UHFFFAOYSA-N 1 0 328.166 1.793 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[N@H+]1CC=CCC1 ZINC000279902556 443638102 /nfs/dbraw/zinc/63/81/02/443638102.db2.gz LHYLTAGKGFWLHJ-UHFFFAOYSA-N 1 0 334.376 1.665 20 5 EDBDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000286065279 443638392 /nfs/dbraw/zinc/63/83/92/443638392.db2.gz RRRIDSLOPMFUDT-CABCVRRESA-N 1 0 335.404 1.769 20 5 EDBDRO CC[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000439166326 320040738 /nfs/dbraw/zinc/04/07/38/320040738.db2.gz XINULVRBUANXED-LBPRGKRZSA-N 1 0 336.392 1.241 20 5 EDBDRO [NH3+]CC[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(F)F ZINC000449612709 320194636 /nfs/dbraw/zinc/19/46/36/320194636.db2.gz OAXCOUJULFBDRE-LBPRGKRZSA-N 1 0 339.302 1.493 20 5 EDBDRO O=C1CC[C@@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCN1 ZINC000450262347 320217215 /nfs/dbraw/zinc/21/72/15/320217215.db2.gz SCJLFTPOFVFIFD-CQSZACIVSA-N 1 0 332.404 1.633 20 5 EDBDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CC2 ZINC000514651842 320430136 /nfs/dbraw/zinc/43/01/36/320430136.db2.gz XCXVEWLJWBPTMV-RDBSUJKOSA-N 1 0 345.407 1.780 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)n1 ZINC000286363866 443698555 /nfs/dbraw/zinc/69/85/55/443698555.db2.gz NIYFTMASDFCJGM-NWDGAFQWSA-N 1 0 334.376 1.839 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000283743276 443704442 /nfs/dbraw/zinc/70/44/42/443704442.db2.gz JLOFLPNEMDYFMZ-GFCCVEGCSA-N 1 0 336.392 1.863 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000521624419 320484743 /nfs/dbraw/zinc/48/47/43/320484743.db2.gz AKQRNTCUPNNNDG-DGCLKSJQSA-N 1 0 341.433 1.905 20 5 EDBDRO Cc1nn(C)c(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)c1[N+](=O)[O-] ZINC000291087021 443748361 /nfs/dbraw/zinc/74/83/61/443748361.db2.gz PKFGWPIIRUVINU-UHFFFAOYSA-N 1 0 331.332 1.371 20 5 EDBDRO CC[C@H](CO)[N@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000298425866 443767181 /nfs/dbraw/zinc/76/71/81/443767181.db2.gz PWXDREFIVJNKPE-LLVKDONJSA-N 1 0 325.365 1.635 20 5 EDBDRO COC(=O)c1cnc(NCCC[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000276649118 443777557 /nfs/dbraw/zinc/77/75/57/443777557.db2.gz YUBCMNNETPUDAH-UHFFFAOYSA-N 1 0 338.364 1.035 20 5 EDBDRO CC(C)NC(=O)NC(=O)[C@H](C)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000285165534 443880342 /nfs/dbraw/zinc/88/03/42/443880342.db2.gz AUGLCDAEYDZPOJ-LBPRGKRZSA-N 1 0 336.392 1.692 20 5 EDBDRO C[NH+](C)CC1(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000281435901 443911369 /nfs/dbraw/zinc/91/13/69/443911369.db2.gz GVHPSWUKOXHTMV-UHFFFAOYSA-N 1 0 327.406 1.499 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000285260617 443916390 /nfs/dbraw/zinc/91/63/90/443916390.db2.gz MLDHUFKPSRLLEM-KEMBLGFASA-N 1 0 331.372 1.540 20 5 EDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000285406835 443973700 /nfs/dbraw/zinc/97/37/00/443973700.db2.gz CWKXOJURZTWYBU-OWCLPIDISA-N 1 0 349.431 1.893 20 5 EDBDRO CC[NH+]1CCC(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000299232176 443991087 /nfs/dbraw/zinc/99/10/87/443991087.db2.gz HHXCDPFNZFVXSF-UHFFFAOYSA-N 1 0 348.403 1.234 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000293361238 443994954 /nfs/dbraw/zinc/99/49/54/443994954.db2.gz KMMKAZSWSIDFEV-UHFFFAOYSA-N 1 0 342.827 1.862 20 5 EDBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(F)cncc1F ZINC000285580513 444035930 /nfs/dbraw/zinc/03/59/30/444035930.db2.gz IEIPODAKLGKMGN-SCZZXKLOSA-N 1 0 327.291 1.176 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000299399531 444037634 /nfs/dbraw/zinc/03/76/34/444037634.db2.gz JWNWGWQIBKFJNI-NSHDSACASA-N 1 0 333.344 1.286 20 5 EDBDRO C[C@@H]1C[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@H]1C ZINC000293431455 444015873 /nfs/dbraw/zinc/01/58/73/444015873.db2.gz NXJCVRFDNDBICE-KGLIPLIRSA-N 1 0 332.404 1.584 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C1 ZINC000285680813 444070749 /nfs/dbraw/zinc/07/07/49/444070749.db2.gz HRXYDBCXIMECSV-KBPBESRZSA-N 1 0 339.779 1.793 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C)cccc1[N+](=O)[O-] ZINC000282044137 444071173 /nfs/dbraw/zinc/07/11/73/444071173.db2.gz ATTIOLGYCWGXRV-GVXVVHGQSA-N 1 0 334.376 1.487 20 5 EDBDRO CN(CC1CC[NH+](C)CC1)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000301193120 444152613 /nfs/dbraw/zinc/15/26/13/444152613.db2.gz MIXJQBUJOUYVLS-UHFFFAOYSA-N 1 0 342.421 1.020 20 5 EDBDRO CC[N@@H+]1CC[C@@H](N(C)c2nc3ccccn3c(=O)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000301452929 444172415 /nfs/dbraw/zinc/17/24/15/444172415.db2.gz XZDSBZFFJKQGSN-QWHCGFSZSA-N 1 0 345.403 1.769 20 5 EDBDRO Cc1ccc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000301800421 444191015 /nfs/dbraw/zinc/19/10/15/444191015.db2.gz BWDOSMVVODGIDF-OAHLLOKOSA-N 1 0 332.404 1.822 20 5 EDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000301952677 444198194 /nfs/dbraw/zinc/19/81/94/444198194.db2.gz JMTOOEXQCXMISQ-CQSZACIVSA-N 1 0 333.392 1.217 20 5 EDBDRO CNS(=O)(=O)c1ccc(N[C@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000290798994 444324165 /nfs/dbraw/zinc/32/41/65/444324165.db2.gz YHZMYWJXVOAERD-LLVKDONJSA-N 1 0 344.437 1.644 20 5 EDBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290623095 444302770 /nfs/dbraw/zinc/30/27/70/444302770.db2.gz LQUUDTWBAUJMCM-UTUOFQBUSA-N 1 0 335.408 1.867 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000323520619 444343596 /nfs/dbraw/zinc/34/35/96/444343596.db2.gz KEKRGNMKCCVNNZ-UHFFFAOYSA-N 1 0 341.433 1.947 20 5 EDBDRO [NH3+]C1CCC(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000325084261 444361681 /nfs/dbraw/zinc/36/16/81/444361681.db2.gz JUFLXFVBLFITRW-UHFFFAOYSA-N 1 0 332.404 1.761 20 5 EDBDRO O=C([C@H]1CCCCC[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000325727704 444368504 /nfs/dbraw/zinc/36/85/04/444368504.db2.gz OIMNHTAAXSBKKF-CQSZACIVSA-N 1 0 332.404 1.776 20 5 EDBDRO CS(=O)(=O)c1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000320058825 444327740 /nfs/dbraw/zinc/32/77/40/444327740.db2.gz UILYXKBAJSCSIM-NSHDSACASA-N 1 0 339.417 1.895 20 5 EDBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000579233685 321904867 /nfs/dbraw/zinc/90/48/67/321904867.db2.gz SULPWTQPIHFAAG-NSHDSACASA-N 1 0 329.259 1.051 20 5 EDBDRO C[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000342292592 444615935 /nfs/dbraw/zinc/61/59/35/444615935.db2.gz FOOFYDWTJMVSJI-ZDUSSCGKSA-N 1 0 346.431 1.988 20 5 EDBDRO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000338472626 444711406 /nfs/dbraw/zinc/71/14/06/444711406.db2.gz BWQPZIBYHHAMSL-CYBMUJFWSA-N 1 0 335.360 1.608 20 5 EDBDRO C[NH+](C)CCOC1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000342529778 444733418 /nfs/dbraw/zinc/73/34/18/444733418.db2.gz CRXZBZCOOMAAHG-UHFFFAOYSA-N 1 0 339.367 1.917 20 5 EDBDRO CC(C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000338425212 444687463 /nfs/dbraw/zinc/68/74/63/444687463.db2.gz YZOAPAOPPXLPFW-UHFFFAOYSA-N 1 0 343.405 1.068 20 5 EDBDRO O=C1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2(CCC2)N1 ZINC000338632593 444783954 /nfs/dbraw/zinc/78/39/54/444783954.db2.gz IZSMYDUYHRFLQZ-CYBMUJFWSA-N 1 0 329.360 1.762 20 5 EDBDRO C[NH+](C)CCOc1cnccc1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000342615294 444777727 /nfs/dbraw/zinc/77/77/27/444777727.db2.gz FUUJAIUDYXZBDP-UHFFFAOYSA-N 1 0 333.348 1.188 20 5 EDBDRO C[C@H]1[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000344298739 444886842 /nfs/dbraw/zinc/88/68/42/444886842.db2.gz RVPABEMFELJRKW-SWLSCSKDSA-N 1 0 335.408 1.789 20 5 EDBDRO CS[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1[NH+](C)C ZINC000330644125 445076272 /nfs/dbraw/zinc/07/62/72/445076272.db2.gz FIWNCTLVBHMLGP-NWDGAFQWSA-N 1 0 341.437 1.030 20 5 EDBDRO CC(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000339186109 445078751 /nfs/dbraw/zinc/07/87/51/445078751.db2.gz OPYJJOIOSANKLV-CQSZACIVSA-N 1 0 348.403 1.832 20 5 EDBDRO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCC[NH+]1CCC1 ZINC000337583766 445151484 /nfs/dbraw/zinc/15/14/84/445151484.db2.gz JYMFRHAHLRAODU-UHFFFAOYSA-N 1 0 348.359 1.105 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343316060 445195792 /nfs/dbraw/zinc/19/57/92/445195792.db2.gz DOLAWWPKAQTIHZ-GXTWGEPZSA-N 1 0 335.408 1.021 20 5 EDBDRO CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000343559420 445243891 /nfs/dbraw/zinc/24/38/91/445243891.db2.gz UNAZQXIOJFVEAD-HUUCEWRRSA-N 1 0 335.404 1.503 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000351810994 445329742 /nfs/dbraw/zinc/32/97/42/445329742.db2.gz NGFXWJJVQAZFGE-CYBMUJFWSA-N 1 0 341.433 1.926 20 5 EDBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000348640611 445342491 /nfs/dbraw/zinc/34/24/91/445342491.db2.gz HQRUAGYGYHHQAL-UEICXMAYSA-N 1 0 344.371 1.624 20 5 EDBDRO CO[C@@H]1C[C@H](CN(C)C(=O)CNc2ccccc2[N+](=O)[O-])[N@H+](C)C1 ZINC000348707102 445350246 /nfs/dbraw/zinc/35/02/46/445350246.db2.gz WRDTVRSAAJGMPV-CHWSQXEVSA-N 1 0 336.392 1.184 20 5 EDBDRO Cc1ccc(C[NH2+][C@H]2CCCN(c3ccnn3C)C2=O)cc1[N+](=O)[O-] ZINC000359808278 445439119 /nfs/dbraw/zinc/43/91/19/445439119.db2.gz SAIKATQYDKNWJP-AWEZNQCLSA-N 1 0 343.387 1.922 20 5 EDBDRO O=C(CCOC1C[NH2+]C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000348992112 445468914 /nfs/dbraw/zinc/46/89/14/445468914.db2.gz HMOAXYKPMZSCCQ-UHFFFAOYSA-N 1 0 349.387 1.343 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000359982666 445513547 /nfs/dbraw/zinc/51/35/47/445513547.db2.gz YCTCYSTYFCQEGS-NWDGAFQWSA-N 1 0 325.390 1.261 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000359984161 445514392 /nfs/dbraw/zinc/51/43/92/445514392.db2.gz KXEHZEAVCLCLIO-KGLIPLIRSA-N 1 0 339.417 1.570 20 5 EDBDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000359985961 445515221 /nfs/dbraw/zinc/51/52/21/445515221.db2.gz QDUGCNNWKHBIHJ-NSHDSACASA-N 1 0 333.797 1.606 20 5 EDBDRO CCc1nnc2n1C[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)CC2 ZINC000363094141 445674496 /nfs/dbraw/zinc/67/44/96/445674496.db2.gz SLIWTNDSLNRKSF-GFCCVEGCSA-N 1 0 331.376 1.862 20 5 EDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CC[C@H](CO)O2)c1 ZINC000353693777 445711871 /nfs/dbraw/zinc/71/18/71/445711871.db2.gz XXDUCYHGKLLIBI-NWDGAFQWSA-N 1 0 332.303 1.826 20 5 EDBDRO C[NH+](C)CCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CC1 ZINC000356291685 445721455 /nfs/dbraw/zinc/72/14/55/445721455.db2.gz FUCRGVPIBFPBFT-UHFFFAOYSA-N 1 0 343.387 1.947 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000358700965 445726774 /nfs/dbraw/zinc/72/67/74/445726774.db2.gz ZSYWJQPNJAJRNX-UHFFFAOYSA-N 1 0 338.408 1.671 20 5 EDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000354017384 445857075 /nfs/dbraw/zinc/85/70/75/445857075.db2.gz AHAVMAMYFQESLV-LLVKDONJSA-N 1 0 335.360 1.532 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000369096108 445928431 /nfs/dbraw/zinc/92/84/31/445928431.db2.gz GWKHJYLNLMYJKO-AWEZNQCLSA-N 1 0 335.408 1.658 20 5 EDBDRO C[NH+]1CCC(CCO)(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000354146665 445944060 /nfs/dbraw/zinc/94/40/60/445944060.db2.gz DDPIQGNVSJCMOB-UHFFFAOYSA-N 1 0 347.375 1.048 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000354202977 445995589 /nfs/dbraw/zinc/99/55/89/445995589.db2.gz JPYHSWQOMNOCHC-SMDDNHRTSA-N 1 0 348.403 1.695 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000354225452 446021514 /nfs/dbraw/zinc/02/15/14/446021514.db2.gz XDXJVICREKOQDA-LBPRGKRZSA-N 1 0 346.387 1.449 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000365105790 446028709 /nfs/dbraw/zinc/02/87/09/446028709.db2.gz RQHRGYPSIWQIJJ-WBVHZDCISA-N 1 0 349.387 1.956 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000583202129 326025509 /nfs/dbraw/zinc/02/55/09/326025509.db2.gz RDDJSHQGTUJGQL-ZDUSSCGKSA-N 1 0 348.403 1.113 20 5 EDBDRO C[NH+]1CCC(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cn2)CC1 ZINC000354254694 446049295 /nfs/dbraw/zinc/04/92/95/446049295.db2.gz PYUPUYVYXXIUBW-UHFFFAOYSA-N 1 0 346.347 1.438 20 5 EDBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000366200529 446080193 /nfs/dbraw/zinc/08/01/93/446080193.db2.gz JSBMRVXZFRVKOA-CYBMUJFWSA-N 1 0 337.351 1.717 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H](O)COCC2CC2)n1 ZINC000351515825 446118089 /nfs/dbraw/zinc/11/80/89/446118089.db2.gz HITRHHWJGBVPDQ-RRFJBIMHSA-N 1 0 338.408 1.652 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC(NC(=O)c2ccsc2)CC1 ZINC000370046406 446177369 /nfs/dbraw/zinc/17/73/69/446177369.db2.gz RDFBNAHGXMUWHR-UHFFFAOYSA-N 1 0 349.416 1.784 20 5 EDBDRO CS[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1[NH+]1CCCC1 ZINC000362010195 446150897 /nfs/dbraw/zinc/15/08/97/446150897.db2.gz BOVLOADLEDQXSY-STQMWFEESA-N 1 0 325.438 1.303 20 5 EDBDRO Nc1ccc(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1[N+](=O)[O-] ZINC000365552043 446250807 /nfs/dbraw/zinc/25/08/07/446250807.db2.gz MYANNYRXQJCECK-KCQAQPDRSA-N 1 0 330.388 1.733 20 5 EDBDRO CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000366678421 446306644 /nfs/dbraw/zinc/30/66/44/446306644.db2.gz TUIHGWPEXIDYCW-AWVCJSPBSA-N 1 0 336.388 1.712 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1[N+](=O)[O-] ZINC000374078799 446351254 /nfs/dbraw/zinc/35/12/54/446351254.db2.gz BVZCWUWEJSPTQS-STQMWFEESA-N 1 0 339.417 1.584 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000370630274 446364858 /nfs/dbraw/zinc/36/48/58/446364858.db2.gz GIZPQZVBKIJCBS-HUUCEWRRSA-N 1 0 339.417 1.795 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@](O)(C4CC4)C3)n2)cc1 ZINC000365851279 446370653 /nfs/dbraw/zinc/37/06/53/446370653.db2.gz VCQMGCJFCIWRIV-MRXNPFEDSA-N 1 0 330.344 1.992 20 5 EDBDRO O=C(NC[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1)c1ccco1 ZINC000374549946 446374784 /nfs/dbraw/zinc/37/47/84/446374784.db2.gz HDBUFTPWVJTPBW-ZDUSSCGKSA-N 1 0 347.375 1.526 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[NH2+]1 ZINC000418083916 446436033 /nfs/dbraw/zinc/43/60/33/446436033.db2.gz NMMKZEBHNKRWGP-NXEZZACHSA-N 1 0 332.364 1.411 20 5 EDBDRO CC(C)NC(=O)c1ccc(N2CC[NH2+]C[C@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000420260998 446437290 /nfs/dbraw/zinc/43/72/90/446437290.db2.gz JVVZDESWOHYBQY-INIZCTEOSA-N 1 0 338.383 1.871 20 5 EDBDRO CS(=O)(=O)c1ccc(NC[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420272118 446443344 /nfs/dbraw/zinc/44/33/44/446443344.db2.gz CXZLKTCEMDGYSE-QWRGUYRKSA-N 1 0 327.406 1.928 20 5 EDBDRO CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C[NH3+])C1CC1 ZINC000420306782 446470248 /nfs/dbraw/zinc/47/02/48/446470248.db2.gz BKTFBCIMZVDJIA-AWEZNQCLSA-N 1 0 327.406 1.038 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374968109 446487797 /nfs/dbraw/zinc/48/77/97/446487797.db2.gz HLGJKRVWNHUSLN-UHFFFAOYSA-N 1 0 335.404 1.567 20 5 EDBDRO O=C(NC1CC[NH2+]CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418313725 446496142 /nfs/dbraw/zinc/49/61/42/446496142.db2.gz WCPZASADOMAKDM-UHFFFAOYSA-N 1 0 333.392 1.178 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@@H]21 ZINC000375024813 446523324 /nfs/dbraw/zinc/52/33/24/446523324.db2.gz YADZMHCIEAMINZ-WBMJQRKESA-N 1 0 333.388 1.987 20 5 EDBDRO Nc1nccc([C@H]2CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000367214124 446523957 /nfs/dbraw/zinc/52/39/57/446523957.db2.gz QWZOGAZMUIYSFM-XJKSGUPXSA-N 1 0 343.387 1.880 20 5 EDBDRO CC1=C(c2ccco2)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000367225348 446525285 /nfs/dbraw/zinc/52/52/85/446525285.db2.gz QXTHOCWNSOXAKH-AWEZNQCLSA-N 1 0 332.360 1.925 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420380325 446556044 /nfs/dbraw/zinc/55/60/44/446556044.db2.gz NUSCNCXJWKUSAN-RYUDHWBXSA-N 1 0 336.392 1.459 20 5 EDBDRO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420435387 446610037 /nfs/dbraw/zinc/61/00/37/446610037.db2.gz SMUUMUUUXLVUDV-BXUZGUMPSA-N 1 0 327.406 1.197 20 5 EDBDRO [NH3+]C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCCO1 ZINC000420398807 446573338 /nfs/dbraw/zinc/57/33/38/446573338.db2.gz ZCMIYTCHTJECOV-OAHLLOKOSA-N 1 0 346.387 1.842 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000375105027 446582966 /nfs/dbraw/zinc/58/29/66/446582966.db2.gz KIANDNSYJCFNCX-RYUDHWBXSA-N 1 0 345.396 1.532 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC2CCC([NH3+])CC2)c1 ZINC000420429052 446604171 /nfs/dbraw/zinc/60/41/71/446604171.db2.gz ZLGHXVUGYGRIBC-UHFFFAOYSA-N 1 0 327.406 1.760 20 5 EDBDRO O=C(C[NH2+]C[C@H]1CCCO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423718115 446658186 /nfs/dbraw/zinc/65/81/86/446658186.db2.gz BXVCSOWXSUSFPD-OAHLLOKOSA-N 1 0 333.388 1.854 20 5 EDBDRO [NH3+]C1(C(=O)NCCNc2ccccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000376696794 446659153 /nfs/dbraw/zinc/65/91/53/446659153.db2.gz ZNMZIDDADGGQEI-UHFFFAOYSA-N 1 0 340.383 1.619 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NC2(C)CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000420446677 446622877 /nfs/dbraw/zinc/62/28/77/446622877.db2.gz IBSNGTVGBWSTCD-UHFFFAOYSA-N 1 0 327.406 1.632 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418789433 446703878 /nfs/dbraw/zinc/70/38/78/446703878.db2.gz WSJWNPVJEMUIOZ-SLEUVZQESA-N 1 0 348.403 1.500 20 5 EDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411941070 446751151 /nfs/dbraw/zinc/75/11/51/446751151.db2.gz KZARELUGDPOTNM-NEPJUHHUSA-N 1 0 334.376 1.332 20 5 EDBDRO C[NH+](C)C1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000420746891 446789218 /nfs/dbraw/zinc/78/92/18/446789218.db2.gz NQSGYQMTINQBHE-UHFFFAOYSA-N 1 0 327.406 1.746 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000454154433 446792446 /nfs/dbraw/zinc/79/24/46/446792446.db2.gz VSDUXYZHTXIQGI-CQSZACIVSA-N 1 0 336.392 1.872 20 5 EDBDRO COC(=O)[C@@H]1CSCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000412084563 446844789 /nfs/dbraw/zinc/84/47/89/446844789.db2.gz TXZQGBLSFTTWAL-LBPRGKRZSA-N 1 0 340.401 1.812 20 5 EDBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000420938447 446911533 /nfs/dbraw/zinc/91/15/33/446911533.db2.gz MNAHXUNKINFIMU-AWEZNQCLSA-N 1 0 337.376 1.395 20 5 EDBDRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000419121604 446936778 /nfs/dbraw/zinc/93/67/78/446936778.db2.gz AWZUJMGHLOMNRT-LBPRGKRZSA-N 1 0 348.403 1.230 20 5 EDBDRO C[C@H](NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000419132696 446942252 /nfs/dbraw/zinc/94/22/52/446942252.db2.gz DZDCAFVEDMBIAB-NWDGAFQWSA-N 1 0 334.376 1.030 20 5 EDBDRO C[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000419158769 446975282 /nfs/dbraw/zinc/97/52/82/446975282.db2.gz YFMXGYLRKQSDJA-BXUZGUMPSA-N 1 0 348.403 1.406 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000419160702 446976584 /nfs/dbraw/zinc/97/65/84/446976584.db2.gz HPCBTZZZCAKOMO-WMLDXEAASA-N 1 0 348.403 1.359 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000419281789 447054637 /nfs/dbraw/zinc/05/46/37/447054637.db2.gz XXMYYGHQDFXEFB-YPMHNXCESA-N 1 0 336.392 1.180 20 5 EDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368723807 447069013 /nfs/dbraw/zinc/06/90/13/447069013.db2.gz XJSGFRMQHMSINX-GFCCVEGCSA-N 1 0 329.360 1.652 20 5 EDBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444667428 447116953 /nfs/dbraw/zinc/11/69/53/447116953.db2.gz URAAJPZWZYIQAE-LBPRGKRZSA-N 1 0 331.376 1.771 20 5 EDBDRO Nc1nc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000377456521 447141755 /nfs/dbraw/zinc/14/17/55/447141755.db2.gz XRMQPXMGHPHCHH-CQSZACIVSA-N 1 0 342.403 1.713 20 5 EDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000377481192 447153480 /nfs/dbraw/zinc/15/34/80/447153480.db2.gz HJXULWSRHOUQAI-NWDGAFQWSA-N 1 0 339.779 1.841 20 5 EDBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000372727888 447249905 /nfs/dbraw/zinc/24/99/05/447249905.db2.gz QTDWXBAHPWNBTR-LLVKDONJSA-N 1 0 325.340 1.263 20 5 EDBDRO CNc1nc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000455904646 447253946 /nfs/dbraw/zinc/25/39/46/447253946.db2.gz DAQQFXHGFAWRIR-LBPRGKRZSA-N 1 0 335.408 1.739 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421704736 447224680 /nfs/dbraw/zinc/22/46/80/447224680.db2.gz PPLBXPDLYZBHOR-OAHLLOKOSA-N 1 0 348.403 1.267 20 5 EDBDRO CNc1nc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000455865042 447244450 /nfs/dbraw/zinc/24/44/50/447244450.db2.gz RZYMDUUGVQPIBQ-ZDUSSCGKSA-N 1 0 347.419 1.835 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000421895506 447270047 /nfs/dbraw/zinc/27/00/47/447270047.db2.gz RRZFMKRRHXZJDN-AWEZNQCLSA-N 1 0 335.404 1.788 20 5 EDBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000494917880 447463484 /nfs/dbraw/zinc/46/34/84/447463484.db2.gz NMIKZCVCYLFUNI-AAEUAGOBSA-N 1 0 347.371 1.119 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000422384360 447517133 /nfs/dbraw/zinc/51/71/33/447517133.db2.gz WUQNCRQWVNDWAK-CQSZACIVSA-N 1 0 348.403 1.072 20 5 EDBDRO CC(C)C[C@@H](C[NH+]1CCCC1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000450599222 447536130 /nfs/dbraw/zinc/53/61/30/447536130.db2.gz SGBBYEIPUCRPCO-ZDUSSCGKSA-N 1 0 332.408 2.560 20 5 EDBDRO C[NH2+][C@@H]1CCCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420153277 447642427 /nfs/dbraw/zinc/64/24/27/447642427.db2.gz GBPGZCGUAIGAHA-OAHLLOKOSA-N 1 0 334.420 1.615 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)N(CCO)C[C@@H]1C ZINC000416719921 447678518 /nfs/dbraw/zinc/67/85/18/447678518.db2.gz DPFUOEFTDUUUSC-OLZOCXBDSA-N 1 0 336.392 1.822 20 5 EDBDRO [NH3+]C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CCO1 ZINC000420238341 447682995 /nfs/dbraw/zinc/68/29/95/447682995.db2.gz KWGAWOSWAHSQIB-CQSZACIVSA-N 1 0 344.371 1.733 20 5 EDBDRO [NH3+]C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H]1c1ccccc1 ZINC000420240157 447683041 /nfs/dbraw/zinc/68/30/41/447683041.db2.gz KDWLANDBXGUQHC-KGLIPLIRSA-N 1 0 338.371 1.816 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000420241084 447683429 /nfs/dbraw/zinc/68/34/29/447683429.db2.gz VKCWEZHYTMXJPL-YPMHNXCESA-N 1 0 343.387 1.733 20 5 EDBDRO CCOc1cc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000429185290 447733916 /nfs/dbraw/zinc/73/39/16/447733916.db2.gz RXBXYQVSHUIWNT-JQWIXIFHSA-N 1 0 337.376 1.811 20 5 EDBDRO CC1(C)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000452107418 447815544 /nfs/dbraw/zinc/81/55/44/447815544.db2.gz AXPFJPFXNJMZFB-VNHYZAJKSA-N 1 0 336.388 1.691 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000451900008 447777185 /nfs/dbraw/zinc/77/71/85/447777185.db2.gz JOOCYQNFHPPSFH-NVXWUHKLSA-N 1 0 336.388 1.837 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430559786 447778954 /nfs/dbraw/zinc/77/89/54/447778954.db2.gz YBEDMOYAKPXZQR-HEHGZKQESA-N 1 0 332.404 1.759 20 5 EDBDRO C[NH2+]C[C@H]1CCCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430566628 447780739 /nfs/dbraw/zinc/78/07/39/447780739.db2.gz HGOWQMHNGLBQLV-CYBMUJFWSA-N 1 0 334.376 1.577 20 5 EDBDRO CC(C)[C@H]([NH3+])CCN(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000430595027 447782811 /nfs/dbraw/zinc/78/28/11/447782811.db2.gz TUVBVMRMNJYASO-OAHLLOKOSA-N 1 0 334.420 1.789 20 5 EDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000451917724 447783349 /nfs/dbraw/zinc/78/33/49/447783349.db2.gz NZQGCPKTEUCSKD-CABCVRRESA-N 1 0 346.431 1.942 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000550119725 447886607 /nfs/dbraw/zinc/88/66/07/447886607.db2.gz HNXQOOIQHHNQGR-UHFFFAOYSA-N 1 0 335.408 1.434 20 5 EDBDRO CC(C)N(C)C[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569838832 447903106 /nfs/dbraw/zinc/90/31/06/447903106.db2.gz RTJOBXFYPWDHIJ-ZIAGYGMSSA-N 1 0 325.409 1.653 20 5 EDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000524721291 447944711 /nfs/dbraw/zinc/94/47/11/447944711.db2.gz KRVLMADPVUPGMN-CYBMUJFWSA-N 1 0 343.387 1.852 20 5 EDBDRO CNc1nccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000575933700 447932800 /nfs/dbraw/zinc/93/28/00/447932800.db2.gz SODAPIPMONDXMY-WCQYABFASA-N 1 0 333.392 1.588 20 5 EDBDRO CN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@H]1CCC[N@H+](C)C1 ZINC000525008947 447965610 /nfs/dbraw/zinc/96/56/10/447965610.db2.gz QRDFQLOFMABBLC-NSHDSACASA-N 1 0 335.360 1.532 20 5 EDBDRO C[C@@H]1CC[N@H+](CCNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000525804977 448027604 /nfs/dbraw/zinc/02/76/04/448027604.db2.gz ZOTLTYMUXFVELP-CYBMUJFWSA-N 1 0 348.403 1.173 20 5 EDBDRO NC(=O)C1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000570590202 448034561 /nfs/dbraw/zinc/03/45/61/448034561.db2.gz ZZJPHWZACZLNDG-STQMWFEESA-N 1 0 335.408 1.910 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCCC1=O ZINC000576523863 448074990 /nfs/dbraw/zinc/07/49/90/448074990.db2.gz KNDHTMZYQZLDQH-LBPRGKRZSA-N 1 0 334.376 1.524 20 5 EDBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cn1)Cc1ccc(F)cc1 ZINC000531633482 448120268 /nfs/dbraw/zinc/12/02/68/448120268.db2.gz GDOXOOGUKCDHCV-UHFFFAOYSA-N 1 0 332.335 1.991 20 5 EDBDRO C[C@@H]1[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000576728633 448128006 /nfs/dbraw/zinc/12/80/06/448128006.db2.gz PVWAPLWPVLRKSY-RISCZKNCSA-N 1 0 329.360 1.711 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000577178131 448226754 /nfs/dbraw/zinc/22/67/54/448226754.db2.gz NCQJHGKGZKBWDW-HIFRSBDPSA-N 1 0 346.431 1.925 20 5 EDBDRO CNc1nccc(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000563548150 448306485 /nfs/dbraw/zinc/30/64/85/448306485.db2.gz XNLXTOUVIMVRAL-ZDUSSCGKSA-N 1 0 349.435 2.272 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@H]1CCC[NH2+]CC1 ZINC000591357161 448341298 /nfs/dbraw/zinc/34/12/98/448341298.db2.gz BPCZRUHZZNMNSZ-JTQLQIEISA-N 1 0 332.364 1.412 20 5 EDBDRO CS(=O)(=O)N1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000577648809 448352180 /nfs/dbraw/zinc/35/21/80/448352180.db2.gz KLGFAIUFJJWZFX-FZMZJTMJSA-N 1 0 339.417 1.596 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000591346326 448333004 /nfs/dbraw/zinc/33/30/04/448333004.db2.gz FEJISZNUSOIROR-CHWSQXEVSA-N 1 0 334.376 1.497 20 5 EDBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493282247 448382794 /nfs/dbraw/zinc/38/27/94/448382794.db2.gz BHCNSCJEWURKEY-FLIBITNWSA-N 1 0 348.447 1.950 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccn(-c3ccccc3)n2)c1 ZINC000577841258 448398058 /nfs/dbraw/zinc/39/80/58/448398058.db2.gz DRSKSMIVWIYKKB-MRXNPFEDSA-N 1 0 342.359 1.128 20 5 EDBDRO C[C@H]1CC[N@H+](CCNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000535042186 448478401 /nfs/dbraw/zinc/47/84/01/448478401.db2.gz UZISRVXSRISMGR-ZDUSSCGKSA-N 1 0 341.433 1.399 20 5 EDBDRO COC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000591756775 448482014 /nfs/dbraw/zinc/48/20/14/448482014.db2.gz CJUQHWBFXUPOLT-CQSZACIVSA-N 1 0 340.376 1.120 20 5 EDBDRO C[NH+](C)[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@@H]1O ZINC000578253119 448500598 /nfs/dbraw/zinc/50/05/98/448500598.db2.gz IOTUNVIEXLPDFH-RYUDHWBXSA-N 1 0 335.385 1.556 20 5 EDBDRO CC(C)C[C@@H](CN1CCCC1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000584585994 448579150 /nfs/dbraw/zinc/57/91/50/448579150.db2.gz HBDXMWXKZWRIAC-HOCLYGCPSA-N 1 0 339.440 1.252 20 5 EDBDRO O=[N+]([O-])c1cc2c(nc1N1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)CCCC2 ZINC000591908570 448564765 /nfs/dbraw/zinc/56/47/65/448564765.db2.gz XJNROILZIWCGMZ-WBVHZDCISA-N 1 0 346.431 1.904 20 5 EDBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000573220153 448573399 /nfs/dbraw/zinc/57/33/99/448573399.db2.gz ZQEVDIZCKZAKME-ZDUSSCGKSA-N 1 0 348.403 1.385 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCC[C@H]2O)cc1 ZINC000573091253 448541640 /nfs/dbraw/zinc/54/16/40/448541640.db2.gz ZOOHFEPJDVFESH-ZIAGYGMSSA-N 1 0 328.390 1.262 20 5 EDBDRO [NH3+]C[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000517567433 448593769 /nfs/dbraw/zinc/59/37/69/448593769.db2.gz OBTBSXCQGWUSMZ-JTQLQIEISA-N 1 0 326.784 1.857 20 5 EDBDRO CCOC(=O)c1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000567011878 448600060 /nfs/dbraw/zinc/60/00/60/448600060.db2.gz JQRQCVPUTKACTA-HNNXBMFYSA-N 1 0 348.359 1.119 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000540909363 448653504 /nfs/dbraw/zinc/65/35/04/448653504.db2.gz NWRIGLLJKDHIER-LLVKDONJSA-N 1 0 335.360 1.784 20 5 EDBDRO CNc1nccc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)c1[N+](=O)[O-] ZINC000518215492 448655737 /nfs/dbraw/zinc/65/57/37/448655737.db2.gz SSIRIKNRKXDFEK-UHFFFAOYSA-N 1 0 347.419 1.980 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000567409088 448687498 /nfs/dbraw/zinc/68/74/98/448687498.db2.gz QIGSJVJLPUYMSE-OLZOCXBDSA-N 1 0 339.417 1.442 20 5 EDBDRO CCN1CCCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000578996285 448689583 /nfs/dbraw/zinc/68/95/83/448689583.db2.gz KUDIOCDAHRFGMZ-CABCVRRESA-N 1 0 337.420 1.799 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3ccccc3F)CCC2)c1 ZINC000592144243 448704007 /nfs/dbraw/zinc/70/40/07/448704007.db2.gz GAUCNXHZXLDXTN-ZDUSSCGKSA-N 1 0 334.351 1.960 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21 ZINC000579317880 448763368 /nfs/dbraw/zinc/76/33/68/448763368.db2.gz WMADYDPGGKWQII-WBMJQRKESA-N 1 0 341.371 1.557 20 5 EDBDRO CN(C)[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000579278313 448759252 /nfs/dbraw/zinc/75/92/52/448759252.db2.gz PALYEMPHFNFLSJ-ZFWWWQNUSA-N 1 0 349.387 1.820 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000592367136 448808296 /nfs/dbraw/zinc/80/82/96/448808296.db2.gz JCXYKKVNIZXBBQ-SECBINFHSA-N 1 0 347.368 1.163 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000592370509 448809179 /nfs/dbraw/zinc/80/91/79/448809179.db2.gz JEGDBCYJDBJGJB-MNOVXSKESA-N 1 0 343.405 1.351 20 5 EDBDRO O=C([C@H]1CC12CC[NH2+]CC2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000592277656 448771132 /nfs/dbraw/zinc/77/11/32/448771132.db2.gz XKQWHFHUYXSPRV-CYBMUJFWSA-N 1 0 333.392 1.345 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCO1 ZINC000592306804 448784334 /nfs/dbraw/zinc/78/43/34/448784334.db2.gz FGAAVVOGNCDLEU-HZMBPMFUSA-N 1 0 330.344 1.331 20 5 EDBDRO C[C@@H](O)CNc1cc(NCCOc2ccc([N+](=O)[O-])cc2)ncn1 ZINC000579447347 448793737 /nfs/dbraw/zinc/79/37/37/448793737.db2.gz IPHXIEUUDUWCIR-LLVKDONJSA-N 1 0 333.348 1.668 20 5 EDBDRO [NH3+]C[C@@H](NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000574261703 448829573 /nfs/dbraw/zinc/82/95/73/448829573.db2.gz QKHPERHFOQJEPF-OAHLLOKOSA-N 1 0 348.403 1.235 20 5 EDBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000579673890 448845959 /nfs/dbraw/zinc/84/59/59/448845959.db2.gz UUNCSHHCHOHWKG-HNNXBMFYSA-N 1 0 335.408 1.705 20 5 EDBDRO CSc1ccc(C(=O)N(C)CCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592468557 448850472 /nfs/dbraw/zinc/85/04/72/448850472.db2.gz NDNMQDSCMSPGSB-UHFFFAOYSA-N 1 0 338.433 1.294 20 5 EDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1C[NH2+]CCC1(F)F ZINC000592483053 448856047 /nfs/dbraw/zinc/85/60/47/448856047.db2.gz UYLHSRXUXDVQDU-LBPRGKRZSA-N 1 0 328.319 1.368 20 5 EDBDRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592488526 448859059 /nfs/dbraw/zinc/85/90/59/448859059.db2.gz LAIRUAJRYFHSOH-ZDUSSCGKSA-N 1 0 327.768 1.585 20 5 EDBDRO CN(CC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC000568619619 448896003 /nfs/dbraw/zinc/89/60/03/448896003.db2.gz HNAAORNSXMBMRU-QGZVFWFLSA-N 1 0 332.404 1.633 20 5 EDBDRO CN(C)CC[N@H+](C)CCCN(C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000588858271 448940831 /nfs/dbraw/zinc/94/08/31/448940831.db2.gz UGECWNZUQYXNDA-UHFFFAOYSA-N 1 0 346.435 1.858 20 5 EDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000574741401 448943758 /nfs/dbraw/zinc/94/37/58/448943758.db2.gz BFTNOQNAWRPYAE-ZAQWFSBCSA-N 1 0 348.403 1.789 20 5 EDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000574740032 448944251 /nfs/dbraw/zinc/94/42/51/448944251.db2.gz ZFWXELVQONCINS-LBPRGKRZSA-N 1 0 348.403 1.899 20 5 EDBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c2c(c1)COCO2 ZINC000595613063 449080874 /nfs/dbraw/zinc/08/08/74/449080874.db2.gz ZMQYHLSOTZXCBT-LBPRGKRZSA-N 1 0 345.359 1.575 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000589929904 449082946 /nfs/dbraw/zinc/08/29/46/449082946.db2.gz NUDFYVRJFRIVRN-YPMHNXCESA-N 1 0 325.390 1.228 20 5 EDBDRO COc1c(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000592898320 449042007 /nfs/dbraw/zinc/04/20/07/449042007.db2.gz FSYPZUNWLAIYLT-UHFFFAOYSA-N 1 0 349.387 1.540 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000592898584 449042498 /nfs/dbraw/zinc/04/24/98/449042498.db2.gz INJVVWGBYGPJIA-UHFFFAOYSA-N 1 0 334.376 1.235 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000589930122 449084529 /nfs/dbraw/zinc/08/45/29/449084529.db2.gz STDWPWGCBLZGNA-RISCZKNCSA-N 1 0 325.390 1.061 20 5 EDBDRO CCC(CC)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[NH+](C)C ZINC000593583080 449090031 /nfs/dbraw/zinc/09/00/31/449090031.db2.gz YYEMWZQWZWPLSJ-ZDUSSCGKSA-N 1 0 344.437 1.635 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2CN(C)C[C@H]21 ZINC000590010599 449095180 /nfs/dbraw/zinc/09/51/80/449095180.db2.gz BAXMEMDWKCSUEH-XJKSGUPXSA-N 1 0 332.404 1.868 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@H]1CC[NH2+]C12CCC2 ZINC000599917953 449108324 /nfs/dbraw/zinc/10/83/24/449108324.db2.gz LMFCSEMVEZVQHF-ZDUSSCGKSA-N 1 0 344.375 1.555 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](CO)[C@H]2CCCOC2)c1 ZINC000593034103 449109369 /nfs/dbraw/zinc/10/93/69/449109369.db2.gz HUUTTZHZOYMTFF-JSGCOSHPSA-N 1 0 338.360 1.259 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(c3ncnc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000590141613 449111853 /nfs/dbraw/zinc/11/18/53/449111853.db2.gz SHCXHFPNSXBMDD-JKSUJKDBSA-N 1 0 343.387 1.837 20 5 EDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000599939986 449117817 /nfs/dbraw/zinc/11/78/17/449117817.db2.gz FCLCWTBLYGBHRX-JTQLQIEISA-N 1 0 335.339 1.600 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590280596 449123755 /nfs/dbraw/zinc/12/37/55/449123755.db2.gz IKLGUQBDGUXIJV-FZMZJTMJSA-N 1 0 332.360 1.004 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCCC1CC[NH2+]CC1 ZINC000593705197 449154014 /nfs/dbraw/zinc/15/40/14/449154014.db2.gz RCDMUOLSVKIMTA-UHFFFAOYSA-N 1 0 336.392 1.663 20 5 EDBDRO CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](C)C1 ZINC000597946353 449154004 /nfs/dbraw/zinc/15/40/04/449154004.db2.gz OYFPDKPGXGYXOM-JTQLQIEISA-N 1 0 327.331 1.968 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC[C@@]2(O)CCCOC2)n1 ZINC000593721544 449160462 /nfs/dbraw/zinc/16/04/62/449160462.db2.gz PDJCEEQCIKLKGO-LZWOXQAQSA-N 1 0 338.408 1.796 20 5 EDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000599988839 449139580 /nfs/dbraw/zinc/13/95/80/449139580.db2.gz OPZUHUVXOWHGTE-QLPKVWCKSA-N 1 0 332.404 1.805 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3COC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595834907 449197379 /nfs/dbraw/zinc/19/73/79/449197379.db2.gz SXOZZZPONKGQOV-QWHCGFSZSA-N 1 0 349.387 1.900 20 5 EDBDRO C[N@H+](CCCO)C1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000590586476 449202408 /nfs/dbraw/zinc/20/24/08/449202408.db2.gz VTOUUFJNNWSXPK-UHFFFAOYSA-N 1 0 328.800 1.926 20 5 EDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000611195866 449210429 /nfs/dbraw/zinc/21/04/29/449210429.db2.gz AZLMBXVOPUFHTF-LBPRGKRZSA-N 1 0 346.387 1.917 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000611207167 449215290 /nfs/dbraw/zinc/21/52/90/449215290.db2.gz LLIAYANMNBDJLW-ZUZCIYMTSA-N 1 0 337.376 1.633 20 5 EDBDRO CN([C@H](C[NH3+])C(F)(F)F)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000595908088 449246190 /nfs/dbraw/zinc/24/61/90/449246190.db2.gz MSFXRPCZROTTHL-NWDGAFQWSA-N 1 0 346.309 1.522 20 5 EDBDRO O=[N+]([O-])c1ccc2ncnc(NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)c2c1 ZINC000590722026 449257918 /nfs/dbraw/zinc/25/79/18/449257918.db2.gz FPSVSLUPLUDYQW-BETUJISGSA-N 1 0 329.360 1.813 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000595935858 449265602 /nfs/dbraw/zinc/26/56/02/449265602.db2.gz WEYMECKKGNQQFQ-CYBMUJFWSA-N 1 0 335.408 1.489 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595937928 449266753 /nfs/dbraw/zinc/26/67/53/449266753.db2.gz ZENXYVIWJPHXMA-AWEZNQCLSA-N 1 0 335.408 1.338 20 5 EDBDRO [NH3+]C1(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCCC1 ZINC000595940309 449268368 /nfs/dbraw/zinc/26/83/68/449268368.db2.gz CGKCYNWEAOQYON-UHFFFAOYSA-N 1 0 329.360 1.782 20 5 EDBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCCC1CC[NH2+]CC1 ZINC000593920105 449287622 /nfs/dbraw/zinc/28/76/22/449287622.db2.gz XLLDONZORIONLA-UHFFFAOYSA-N 1 0 348.403 1.221 20 5 EDBDRO CNc1nccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598222065 449298945 /nfs/dbraw/zinc/29/89/45/449298945.db2.gz ZQLBIDOUMWTDPH-GFCCVEGCSA-N 1 0 347.419 2.168 20 5 EDBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000600313689 449314365 /nfs/dbraw/zinc/31/43/65/449314365.db2.gz JGGOMEJPIMSCAF-NSHDSACASA-N 1 0 335.360 1.785 20 5 EDBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000595951817 449276679 /nfs/dbraw/zinc/27/66/79/449276679.db2.gz SSKCOMFXLXPTAO-CYBMUJFWSA-N 1 0 332.360 1.952 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C12CCC[NH+](CCC1)C2 ZINC000602095774 449339923 /nfs/dbraw/zinc/33/99/23/449339923.db2.gz FLBSBXAOZFHRHB-UHFFFAOYSA-N 1 0 333.388 1.966 20 5 EDBDRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCCCC2)O1 ZINC000594057709 449342200 /nfs/dbraw/zinc/34/22/00/449342200.db2.gz LVBYWHWTHGORHH-HIFRSBDPSA-N 1 0 338.408 1.576 20 5 EDBDRO COC(=O)C1CC[NH+](CCCNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596074675 449349459 /nfs/dbraw/zinc/34/94/59/449349459.db2.gz DCYOLZRBHZFEON-UHFFFAOYSA-N 1 0 338.364 1.382 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000598342756 449357125 /nfs/dbraw/zinc/35/71/25/449357125.db2.gz PXAHGCBOJLBRRF-CYBMUJFWSA-N 1 0 343.387 1.995 20 5 EDBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCOC2(C[NH2+]C2)C1 ZINC000596098749 449360345 /nfs/dbraw/zinc/36/03/45/449360345.db2.gz VBSRGXJTSSDJBG-UHFFFAOYSA-N 1 0 346.387 1.009 20 5 EDBDRO CC1([NH+]2CCOCC2)CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000600410796 449361877 /nfs/dbraw/zinc/36/18/77/449361877.db2.gz NFRLRMMPMQQGTR-UHFFFAOYSA-N 1 0 339.417 1.983 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596050843 449337437 /nfs/dbraw/zinc/33/74/37/449337437.db2.gz RGXBOBGXGMWVDA-LLVKDONJSA-N 1 0 328.394 1.138 20 5 EDBDRO Cc1cc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000598452864 449402273 /nfs/dbraw/zinc/40/22/73/449402273.db2.gz NBMHRMLAZKFPIB-HNNXBMFYSA-N 1 0 333.388 1.574 20 5 EDBDRO CCn1c(CC[NH3+])nnc1Sc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611709907 449390353 /nfs/dbraw/zinc/39/03/53/449390353.db2.gz XHQBJQXFZNNKHK-UHFFFAOYSA-N 1 0 345.388 1.802 20 5 EDBDRO CC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000598536344 449451542 /nfs/dbraw/zinc/45/15/42/449451542.db2.gz SGMJCLHQUGDOBC-OUCADQQQSA-N 1 0 348.403 1.312 20 5 EDBDRO C[NH+](C)CCC[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000598540243 449453625 /nfs/dbraw/zinc/45/36/25/449453625.db2.gz NDQIFOBYVZORAN-INIZCTEOSA-N 1 0 335.404 1.707 20 5 EDBDRO CNc1nccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000594362494 449468524 /nfs/dbraw/zinc/46/85/24/449468524.db2.gz NGGXUJULWBHLSP-WCQYABFASA-N 1 0 333.392 1.730 20 5 EDBDRO CC(C)[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598574299 449471580 /nfs/dbraw/zinc/47/15/80/449471580.db2.gz LVOCHQAPPHEHSP-ZDUSSCGKSA-N 1 0 344.375 1.246 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000612030435 449527897 /nfs/dbraw/zinc/52/78/97/449527897.db2.gz HDILVIJBGVJZRW-HUUCEWRRSA-N 1 0 346.387 1.868 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000596516010 449537052 /nfs/dbraw/zinc/53/70/52/449537052.db2.gz BSMIDYWHMGGEAV-SNVBAGLBSA-N 1 0 328.394 1.138 20 5 EDBDRO CNS(=O)(=O)c1ccc(NCC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596424756 449496286 /nfs/dbraw/zinc/49/62/86/449496286.db2.gz LDSSIBFCUSVJHT-SNVBAGLBSA-N 1 0 330.410 1.255 20 5 EDBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000596449251 449507788 /nfs/dbraw/zinc/50/77/88/449507788.db2.gz AIXABFYEYDMJEN-ZDUSSCGKSA-N 1 0 337.424 1.988 20 5 EDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1cn([C@@H]3CC[NH2+]C3)nn1)CCC2 ZINC000600713187 449511652 /nfs/dbraw/zinc/51/16/52/449511652.db2.gz HIGWUYXRKDFMLN-NVXWUHKLSA-N 1 0 342.403 1.888 20 5 EDBDRO Cn1[nH]c([C@H]2CCC[NH2+]2)nc1=NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000596482945 449523798 /nfs/dbraw/zinc/52/37/98/449523798.db2.gz MZACYLTXBBKTBP-LLVKDONJSA-N 1 0 331.336 1.214 20 5 EDBDRO CO[C@H]1CN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@@](C)(C[NH3+])C1 ZINC000600882160 449585150 /nfs/dbraw/zinc/58/51/50/449585150.db2.gz BWIFYBGYNKRJAZ-IAQYHMDHSA-N 1 0 339.417 1.895 20 5 EDBDRO CO[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@](C)(C[NH3+])C1 ZINC000600880075 449583901 /nfs/dbraw/zinc/58/39/01/449583901.db2.gz OXJVTKYITUYSNE-IINYFYTJSA-N 1 0 327.768 1.827 20 5 EDBDRO C[NH+](C)CCC[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)CCO1 ZINC000596566245 449555574 /nfs/dbraw/zinc/55/55/74/449555574.db2.gz HWBKYDHLBKLKBI-LLVKDONJSA-N 1 0 326.372 1.863 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000598713322 449558150 /nfs/dbraw/zinc/55/81/50/449558150.db2.gz AWLFSHMMNVJVKO-TXEJJXNPSA-N 1 0 325.390 1.052 20 5 EDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C1 ZINC000598714224 449558465 /nfs/dbraw/zinc/55/84/65/449558465.db2.gz GWRIJQYOWLNYOK-GFCCVEGCSA-N 1 0 327.406 1.584 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598714662 449559181 /nfs/dbraw/zinc/55/91/81/449559181.db2.gz HGZHOZBAIGNFDC-ZWNOBZJWSA-N 1 0 341.433 1.817 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000598716561 449560802 /nfs/dbraw/zinc/56/08/02/449560802.db2.gz NBQSLMQZEPABFN-CYBMUJFWSA-N 1 0 339.417 1.727 20 5 EDBDRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000598720560 449561978 /nfs/dbraw/zinc/56/19/78/449561978.db2.gz OZUOAYVQVLPVPX-GXTWGEPZSA-N 1 0 325.390 1.238 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC[C@@H]([NH3+])C(C)C)c(C)c1[N+](=O)[O-] ZINC000598721105 449562718 /nfs/dbraw/zinc/56/27/18/449562718.db2.gz SGPSHPXFPRVYIO-GFCCVEGCSA-N 1 0 329.422 1.863 20 5 EDBDRO CCNc1ccc(C(=O)N2CCN([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000598872188 449626522 /nfs/dbraw/zinc/62/65/22/449626522.db2.gz WCDWLINPWSOQRW-AWEZNQCLSA-N 1 0 348.403 1.573 20 5 EDBDRO CN(C)C(=O)CCN1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602538613 449660688 /nfs/dbraw/zinc/66/06/88/449660688.db2.gz GXLIADKXDMHVGX-UHFFFAOYSA-N 1 0 348.447 1.670 20 5 EDBDRO CN(CCOCC[NH3+])C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602554308 449670872 /nfs/dbraw/zinc/67/08/72/449670872.db2.gz FWLWPYKQCIQQSS-UHFFFAOYSA-N 1 0 335.282 1.661 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598897015 449636067 /nfs/dbraw/zinc/63/60/67/449636067.db2.gz WCTMKMHLRJPDQM-LBPRGKRZSA-N 1 0 349.391 1.174 20 5 EDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H](O)[C@@H]2CCCO2)c1 ZINC000598990670 449684513 /nfs/dbraw/zinc/68/45/13/449684513.db2.gz PXDWUTUTDJUVHB-YPMHNXCESA-N 1 0 332.303 1.826 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000594801468 449713278 /nfs/dbraw/zinc/71/32/78/449713278.db2.gz PCMSPCVDQSRMDX-CYBMUJFWSA-N 1 0 341.433 1.887 20 5 EDBDRO CCn1nncc1CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000599062426 449713878 /nfs/dbraw/zinc/71/38/78/449713878.db2.gz PVAOKMAYGBZFQZ-OAHLLOKOSA-N 1 0 341.375 1.819 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599103716 449735583 /nfs/dbraw/zinc/73/55/83/449735583.db2.gz JXULWDHONSGSPZ-NEPJUHHUSA-N 1 0 327.406 1.630 20 5 EDBDRO CSCC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000602665756 449739601 /nfs/dbraw/zinc/73/96/01/449739601.db2.gz UXEJLZKGFFHQHS-AWEZNQCLSA-N 1 0 325.434 1.937 20 5 EDBDRO COc1cc(C[NH2+]C[C@H]2COCCN2C)c([N+](=O)[O-])cc1OC ZINC000599002885 449690211 /nfs/dbraw/zinc/69/02/11/449690211.db2.gz DIWLWQDDLNURHB-LBPRGKRZSA-N 1 0 325.365 1.032 20 5 EDBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602590881 449691307 /nfs/dbraw/zinc/69/13/07/449691307.db2.gz KGTLWSNGNGRCQC-YUMQZZPRSA-N 1 0 326.150 1.544 20 5 EDBDRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594783863 449694110 /nfs/dbraw/zinc/69/41/10/449694110.db2.gz PAYKVPXGNZGRNA-LLVKDONJSA-N 1 0 328.394 1.000 20 5 EDBDRO C[NH+](C)C[C@]1(O)CCCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000601188537 449740660 /nfs/dbraw/zinc/74/06/60/449740660.db2.gz IRRZBLPPOXKLDU-CQSZACIVSA-N 1 0 337.405 1.492 20 5 EDBDRO COc1ccc(C[N@@H+]2CC[C@H]2CNc2ccc(N)c([N+](=O)[O-])n2)cc1 ZINC000599139356 449759186 /nfs/dbraw/zinc/75/91/86/449759186.db2.gz KUJGKZWNBVISHF-ZDUSSCGKSA-N 1 0 343.387 2.267 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(F)cc1[N+](=O)[O-] ZINC000601337937 449847046 /nfs/dbraw/zinc/84/70/46/449847046.db2.gz LLECLMHFIQWPIF-MNOVXSKESA-N 1 0 343.380 1.557 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCNS(C)(=O)=O ZINC000595004977 449840243 /nfs/dbraw/zinc/84/02/43/449840243.db2.gz VLHWDWZINUFDST-SNVBAGLBSA-N 1 0 331.394 1.193 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601334455 449842134 /nfs/dbraw/zinc/84/21/34/449842134.db2.gz KSNUKWIZQQANEQ-ZIAGYGMSSA-N 1 0 332.404 1.916 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCN(Cc2ccccn2)CC1 ZINC000602767337 449793120 /nfs/dbraw/zinc/79/31/20/449793120.db2.gz PNUKFNCCDCVWCT-UHFFFAOYSA-N 1 0 330.392 1.313 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](CCOC(C)C)CC1 ZINC000602778263 449802493 /nfs/dbraw/zinc/80/24/93/449802493.db2.gz AGHUBYDFIAJKBZ-UHFFFAOYSA-N 1 0 325.413 1.142 20 5 EDBDRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000597190440 449864785 /nfs/dbraw/zinc/86/47/85/449864785.db2.gz JZUSXGRZEDXGJO-CORIIIEPSA-N 1 0 342.417 1.318 20 5 EDBDRO [NH3+]CC12CC(C1)CN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000595118403 449879036 /nfs/dbraw/zinc/87/90/36/449879036.db2.gz PDDIPGQVEMOIRJ-UHFFFAOYSA-N 1 0 331.781 1.360 20 5 EDBDRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1F ZINC000595122368 449883629 /nfs/dbraw/zinc/88/36/29/449883629.db2.gz XIBRSQJMOGHRBQ-NXEZZACHSA-N 1 0 337.760 1.308 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601339075 449847360 /nfs/dbraw/zinc/84/73/60/449847360.db2.gz SRUFUGXONJMNKA-JTQLQIEISA-N 1 0 333.435 1.585 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000608901316 449947533 /nfs/dbraw/zinc/94/75/33/449947533.db2.gz UUJDMERGICCUIR-UHFFFAOYSA-N 1 0 327.304 1.401 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595222574 449957126 /nfs/dbraw/zinc/95/71/26/449957126.db2.gz OCTVEFDAJPVWCC-CQSZACIVSA-N 1 0 335.408 1.420 20 5 EDBDRO CC(C)[N@H+](C)C[C@H](O)CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962807 449964103 /nfs/dbraw/zinc/96/41/03/449964103.db2.gz PCWCMIWQJTVBIM-CVEARBPZSA-N 1 0 325.409 1.093 20 5 EDBDRO Cc1ccc(NCCCNC(=O)NCC23CC(C2)C[NH2+]3)c([N+](=O)[O-])c1 ZINC000595262012 449984069 /nfs/dbraw/zinc/98/40/69/449984069.db2.gz FTNLJWQXVYQCKZ-UHFFFAOYSA-N 1 0 347.419 1.756 20 5 EDBDRO CO[C@H](C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CCOC1 ZINC000595291620 450006999 /nfs/dbraw/zinc/00/69/99/450006999.db2.gz PTHZECFFOUKPFW-WMLDXEAASA-N 1 0 335.404 1.768 20 5 EDBDRO C[N@@H+]1CCCN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000609624080 450073516 /nfs/dbraw/zinc/07/35/16/450073516.db2.gz UQJMEJSFNWMJHQ-UHFFFAOYSA-N 1 0 338.383 1.491 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000597533990 450088790 /nfs/dbraw/zinc/08/87/90/450088790.db2.gz HVFHQMNFTMEANY-ZIAGYGMSSA-N 1 0 343.387 1.993 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CC[NH2+][C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000595413773 450126804 /nfs/dbraw/zinc/12/68/04/450126804.db2.gz HJQVZNRYOWCDTK-LBPRGKRZSA-N 1 0 343.405 1.222 20 5 EDBDRO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000610272540 450179636 /nfs/dbraw/zinc/17/96/36/450179636.db2.gz YPXZXXONKSPPQM-IUODEOHRSA-N 1 0 343.387 1.920 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000618344314 450164669 /nfs/dbraw/zinc/16/46/69/450164669.db2.gz LRZSYZCDIIECEN-VXGBXAGGSA-N 1 0 331.376 1.429 20 5 EDBDRO COc1cc(Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)c([N+](=O)[O-])cc1F ZINC000603236255 450165041 /nfs/dbraw/zinc/16/50/41/450165041.db2.gz HQGRTAKCNSUWFD-LLVKDONJSA-N 1 0 349.366 1.924 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000603243328 450172485 /nfs/dbraw/zinc/17/24/85/450172485.db2.gz KLAVHJLSQGFIRU-LBPRGKRZSA-N 1 0 331.376 1.785 20 5 EDBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C(=O)N1c1cnn(C)c1 ZINC000610272345 450177536 /nfs/dbraw/zinc/17/75/36/450177536.db2.gz OFEIIRICSNQBER-NHYWBVRUSA-N 1 0 329.360 1.612 20 5 EDBDRO Cc1noc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595542970 450219268 /nfs/dbraw/zinc/21/92/68/450219268.db2.gz GUIOPWRJCNFVET-OLZOCXBDSA-N 1 0 330.344 1.592 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCC1CS(=O)(=O)C1)C1CC1 ZINC000615761567 450225260 /nfs/dbraw/zinc/22/52/60/450225260.db2.gz HCPMVNQDOTVYIT-HNNXBMFYSA-N 1 0 338.429 1.940 20 5 EDBDRO Nc1c(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000599800933 450227108 /nfs/dbraw/zinc/22/71/08/450227108.db2.gz MLXWIQMZFDWVNB-SECBINFHSA-N 1 0 343.771 1.019 20 5 EDBDRO O=C(C[NH2+]C1(CCO)CCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595508056 450195630 /nfs/dbraw/zinc/19/56/30/450195630.db2.gz FYKGGUBZSVZMAU-UHFFFAOYSA-N 1 0 333.388 1.769 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000618900500 450330525 /nfs/dbraw/zinc/33/05/25/450330525.db2.gz XYKZAVDLHIFOSA-TZMCWYRMSA-N 1 0 327.406 1.497 20 5 EDBDRO O=[N+]([O-])c1cccc(OCCN2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000603661749 450338751 /nfs/dbraw/zinc/33/87/51/450338751.db2.gz VVUJQDQXSCXBQO-QGZVFWFLSA-N 1 0 335.404 1.770 20 5 EDBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000618923087 450341498 /nfs/dbraw/zinc/34/14/98/450341498.db2.gz CXBCMIQNBDFKFM-OAHLLOKOSA-N 1 0 341.795 1.777 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C)C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000452073511 486238152 /nfs/dbraw/zinc/23/81/52/486238152.db2.gz ZBDKRKOXHGMKRU-RYUDHWBXSA-N 1 0 337.376 1.635 20 5 EDBDRO Cc1c(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000186901349 533752544 /nfs/dbraw/zinc/75/25/44/533752544.db2.gz NNQQXCFMNHIYEL-LBPRGKRZSA-N 1 0 335.404 1.820 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000173706489 534318018 /nfs/dbraw/zinc/31/80/18/534318018.db2.gz DEWDKESITGERHA-KRWDZBQOSA-N 1 0 348.447 1.905 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000418781777 518197360 /nfs/dbraw/zinc/19/73/60/518197360.db2.gz DHIHPHDCCUHPRN-NEPJUHHUSA-N 1 0 334.376 1.495 20 5 EDBDRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000131106480 534445853 /nfs/dbraw/zinc/44/58/53/534445853.db2.gz MQOKWKMVGGFGHN-UONOGXRCSA-N 1 0 346.387 1.118 20 5 EDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000130010416 534577931 /nfs/dbraw/zinc/57/79/31/534577931.db2.gz FITIOUNSGMURTE-GFCCVEGCSA-N 1 0 329.360 1.510 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153323742 534618362 /nfs/dbraw/zinc/61/83/62/534618362.db2.gz JANOVKSIWUZZHL-UKRRQHHQSA-N 1 0 347.419 1.575 20 5 EDBDRO CCCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000178882963 527785631 /nfs/dbraw/zinc/78/56/31/527785631.db2.gz IBFJBYBDMIYGNX-CYBMUJFWSA-N 1 0 344.375 1.390 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000174545161 527825017 /nfs/dbraw/zinc/82/50/17/527825017.db2.gz KOBHQIPIGBAOIU-CQSZACIVSA-N 1 0 334.420 1.831 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000158424096 528335012 /nfs/dbraw/zinc/33/50/12/528335012.db2.gz YEVKARMHAUNXNY-QGZVFWFLSA-N 1 0 349.387 1.828 20 5 EDBDRO CCCc1n[nH]c(C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000160041989 528547972 /nfs/dbraw/zinc/54/79/72/528547972.db2.gz NQUZWXZLZDOUDK-NSHDSACASA-N 1 0 325.413 1.977 20 5 EDBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272721325 535163386 /nfs/dbraw/zinc/16/33/86/535163386.db2.gz ZLECHUCQZBFWAK-UHFFFAOYSA-N 1 0 336.392 1.142 20 5 EDBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000271074678 535411450 /nfs/dbraw/zinc/41/14/50/535411450.db2.gz GEMFNGAQOPOBSQ-UKRRQHHQSA-N 1 0 336.436 1.890 20 5 EDBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000237049869 535460155 /nfs/dbraw/zinc/46/01/55/535460155.db2.gz GVZFRJAJMNCBMD-UHFFFAOYSA-N 1 0 341.433 1.913 20 5 EDBDRO CC[NH+](CC)CCS(=O)(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000340043494 535563527 /nfs/dbraw/zinc/56/35/27/535563527.db2.gz OTTADOVHURIBAC-UHFFFAOYSA-N 1 0 327.406 1.629 20 5 EDBDRO CC[NH+]1CCN(CCC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000272094069 535683090 /nfs/dbraw/zinc/68/30/90/535683090.db2.gz KAPMJPXLMHOUHY-AWEZNQCLSA-N 1 0 334.420 1.800 20 5 EDBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000346711830 535914532 /nfs/dbraw/zinc/91/45/32/535914532.db2.gz YDYCPZKVLJARIH-UHFFFAOYSA-N 1 0 332.360 1.793 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000261743181 535949792 /nfs/dbraw/zinc/94/97/92/535949792.db2.gz OGPZWGXCZRRIQJ-RYUDHWBXSA-N 1 0 338.412 1.038 20 5 EDBDRO C[NH2+][C@H](C)Cc1noc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000261612533 536406179 /nfs/dbraw/zinc/40/61/79/536406179.db2.gz AYFXMGGSVMAMDL-NXEZZACHSA-N 1 0 349.347 1.699 20 5 EDBDRO COc1ccc(C[C@@](C)([NH3+])CNc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC000269982869 536512938 /nfs/dbraw/zinc/51/29/38/536512938.db2.gz RPAYVAYFRCEXFP-OAHLLOKOSA-N 1 0 332.364 1.348 20 5 EDBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000777521595 580443244 /nfs/dbraw/zinc/44/32/44/580443244.db2.gz KMPUKKPXBUAKLO-UHFFFAOYSA-N 1 0 331.376 1.662 20 5 EDBDRO CCOc1cc(N2CC[NH+](C[C@H](O)C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000749282735 579720430 /nfs/dbraw/zinc/72/04/30/579720430.db2.gz PRANPERVIOWTKI-INIZCTEOSA-N 1 0 335.404 1.886 20 5 EDBDRO COC(=O)[C@@H](C)C[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])cnc21)C1CC1 ZINC000749944490 579744563 /nfs/dbraw/zinc/74/45/63/579744563.db2.gz FAFRVEKIEWCSTD-JTQLQIEISA-N 1 0 347.375 1.879 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000750036265 579749334 /nfs/dbraw/zinc/74/93/34/579749334.db2.gz KHKMIHQKOCWHGC-ZWKOTPCHSA-N 1 0 349.431 1.815 20 5 EDBDRO C/C(=C\C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000751746315 579820161 /nfs/dbraw/zinc/82/01/61/579820161.db2.gz RSTYCIAUIKYZDS-WZFZXHKMSA-N 1 0 345.399 1.978 20 5 EDBDRO C/C(=C/C(=O)N[C@@H](C)CN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752065546 579836813 /nfs/dbraw/zinc/83/68/13/579836813.db2.gz KXHFCFRENCEXQB-ZSMUJPCHSA-N 1 0 346.431 1.750 20 5 EDBDRO CC[N@@H+]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000754222768 579898732 /nfs/dbraw/zinc/89/87/32/579898732.db2.gz CVGBKYMWACZKEM-LBPRGKRZSA-N 1 0 331.376 1.497 20 5 EDBDRO COC(=O)C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000754541693 579906071 /nfs/dbraw/zinc/90/60/71/579906071.db2.gz ZDBVCGICGXEEKX-HUUCEWRRSA-N 1 0 347.371 1.631 20 5 EDBDRO C[C@@H]1CCC[N@@H+]1CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000758870097 579993774 /nfs/dbraw/zinc/99/37/74/579993774.db2.gz NFDRRGJPJFPZCL-SNVBAGLBSA-N 1 0 328.394 1.138 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC[S@](C)=O ZINC000766049991 580157557 /nfs/dbraw/zinc/15/75/57/580157557.db2.gz NUXYCAUBZVCSEY-XFNZEKPQSA-N 1 0 327.406 1.670 20 5 EDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000768841739 580221962 /nfs/dbraw/zinc/22/19/62/580221962.db2.gz NBEASIDALPPJHM-GHMZBOCLSA-N 1 0 325.340 1.664 20 5 EDBDRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000780865044 580535573 /nfs/dbraw/zinc/53/55/73/580535573.db2.gz HZKWGXRGXJPVOQ-ZDUSSCGKSA-N 1 0 341.433 1.541 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)C3CCOCC3)CC2)cc1 ZINC000782778220 580584900 /nfs/dbraw/zinc/58/49/00/580584900.db2.gz QIUJTNOSPIDGBH-SFHVURJKSA-N 1 0 349.431 1.941 20 5 EDBDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788711464 580728428 /nfs/dbraw/zinc/72/84/28/580728428.db2.gz MNFKGSRLXCQCMX-DGCLKSJQSA-N 1 0 337.376 1.750 20 5 EDBDRO O=[N+]([O-])c1cnc(N2CC[C@H](C[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c1 ZINC000738370641 598856897 /nfs/dbraw/zinc/85/68/97/598856897.db2.gz XKVQJVQYAPUDBG-LLVKDONJSA-N 1 0 344.379 1.092 20 5 EDBDRO COCC[N@H+](C)CCCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000891805294 590628295 /nfs/dbraw/zinc/62/82/95/590628295.db2.gz GBFHCTPHHVMOSV-UHFFFAOYSA-N 1 0 348.403 1.827 20 5 EDBDRO COc1c(O)ccc(C[NH2+][C@@H](C)[C@H]2CN(C)CCO2)c1[N+](=O)[O-] ZINC000893142404 590680081 /nfs/dbraw/zinc/68/00/81/590680081.db2.gz AONPVTNQTOGIOP-GXFFZTMASA-N 1 0 325.365 1.118 20 5 EDBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C1 ZINC000892007327 590741806 /nfs/dbraw/zinc/74/18/06/590741806.db2.gz PVHXDZJILJOWLW-SNVBAGLBSA-N 1 0 343.181 1.518 20 5 EDBDRO O=[N+]([O-])c1cnc2c(Cl)cccc2c1NCC[N@H+]1CC[C@@H](O)C1 ZINC000894780762 591417153 /nfs/dbraw/zinc/41/71/53/591417153.db2.gz JNSWWYGTVSPHKS-SNVBAGLBSA-N 1 0 336.779 1.697 20 5 EDBDRO C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000896575426 591534616 /nfs/dbraw/zinc/53/46/16/591534616.db2.gz PSQJTPLPXQFTFZ-BBRMVZONSA-N 1 0 349.435 1.147 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CC[C@H](CC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000895325334 591714195 /nfs/dbraw/zinc/71/41/95/591714195.db2.gz PQFZNFHDEWMLAX-LBPRGKRZSA-N 1 0 336.392 1.863 20 5 EDBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000897221893 591776328 /nfs/dbraw/zinc/77/63/28/591776328.db2.gz PXBWBKZAHPGWAW-DLBZAZTESA-N 1 0 335.404 1.777 20 5 EDBDRO C[NH+](C)CCn1nccc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000900331320 591991911 /nfs/dbraw/zinc/99/19/11/591991911.db2.gz FQIIGRDUWGKDLE-UHFFFAOYSA-N 1 0 331.376 1.325 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCNCC[NH2+]CC2)c(Br)c1 ZINC000900369878 591998590 /nfs/dbraw/zinc/99/85/90/591998590.db2.gz OKYASPWLTAYFSM-UHFFFAOYSA-N 1 0 329.198 1.357 20 5 EDBDRO O=[N+]([O-])c1c(N2CC[NH2+]CCC23CCOCC3)nc2sccn21 ZINC000900423263 592014573 /nfs/dbraw/zinc/01/45/73/592014573.db2.gz XGIWAPVIBDGOMI-UHFFFAOYSA-N 1 0 337.405 1.653 20 5 EDBDRO COC[C@H]1C[NH2+]CCN1c1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000900448599 592020671 /nfs/dbraw/zinc/02/06/71/592020671.db2.gz AEFLVUCXDPRCGS-OAHLLOKOSA-N 1 0 343.387 1.785 20 5 EDBDRO C/C(=C\C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000900801361 592142033 /nfs/dbraw/zinc/14/20/33/592142033.db2.gz CSEYHKUDHAARIO-CSYXYTOGSA-N 1 0 346.431 1.749 20 5 EDBDRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000903575366 592226846 /nfs/dbraw/zinc/22/68/46/592226846.db2.gz LKHADHOENHXSBT-NSHDSACASA-N 1 0 345.396 1.805 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)c1 ZINC000903592081 592235872 /nfs/dbraw/zinc/23/58/72/592235872.db2.gz BDIYQFCKCDOQPB-HNNXBMFYSA-N 1 0 339.417 1.728 20 5 EDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000904275881 592467059 /nfs/dbraw/zinc/46/70/59/592467059.db2.gz AXUSUFIZDWTYRO-JTQLQIEISA-N 1 0 328.756 1.700 20 5 EDBDRO CCN1CC[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000905438725 592534763 /nfs/dbraw/zinc/53/47/63/592534763.db2.gz BBHQSDJSBFBPEM-CYBMUJFWSA-N 1 0 327.406 1.052 20 5 EDBDRO C[C@@H]1C[NH2+]C[C@H]1CCNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000905692046 592608938 /nfs/dbraw/zinc/60/89/38/592608938.db2.gz UGDMOITZNCGVCI-GHMZBOCLSA-N 1 0 333.392 1.443 20 5 EDBDRO O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)C1C[NH+]([C@H]2CCOC2)C1 ZINC000911472064 592922775 /nfs/dbraw/zinc/92/27/75/592922775.db2.gz CQSRDTORQUYGNA-NSHDSACASA-N 1 0 341.314 1.210 20 5 EDBDRO CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911775373 593002861 /nfs/dbraw/zinc/00/28/61/593002861.db2.gz SGEDCMZFMUNZFT-JKSUJKDBSA-N 1 0 332.404 1.062 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C1 ZINC000794635915 593184117 /nfs/dbraw/zinc/18/41/17/593184117.db2.gz YDULKMHTUDAAOU-LBPRGKRZSA-N 1 0 347.375 1.253 20 5 EDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000808160453 593231016 /nfs/dbraw/zinc/23/10/16/593231016.db2.gz MFBQULVWHWCUQB-RDLIDLCESA-N 1 0 331.372 1.276 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810540788 593410789 /nfs/dbraw/zinc/41/07/89/593410789.db2.gz BPVFLUDQTGURKT-OAHLLOKOSA-N 1 0 342.371 1.855 20 5 EDBDRO CC(C)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OCCO ZINC000806664183 593462810 /nfs/dbraw/zinc/46/28/10/593462810.db2.gz HUXAPZBXVABCSO-UHFFFAOYSA-N 1 0 337.420 1.941 20 5 EDBDRO C[C@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815584630 593643287 /nfs/dbraw/zinc/64/32/87/593643287.db2.gz JYVHJUTVGPMGAE-NSHDSACASA-N 1 0 344.371 1.892 20 5 EDBDRO C[NH2+]CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000818014895 593657445 /nfs/dbraw/zinc/65/74/45/593657445.db2.gz PVZYDQZNTFCGNE-UHFFFAOYSA-N 1 0 336.392 1.113 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000818579679 593705560 /nfs/dbraw/zinc/70/55/60/593705560.db2.gz NOSVEDQSBDGYOR-SWLSCSKDSA-N 1 0 348.403 1.159 20 5 EDBDRO O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818611398 593707797 /nfs/dbraw/zinc/70/77/97/593707797.db2.gz HETDLDXXPWAOMY-INIZCTEOSA-N 1 0 342.359 1.144 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000819310679 593749984 /nfs/dbraw/zinc/74/99/84/593749984.db2.gz CQKRINTXPPVSTQ-RISCZKNCSA-N 1 0 328.390 1.043 20 5 EDBDRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000819361747 593751875 /nfs/dbraw/zinc/75/18/75/593751875.db2.gz QXWFQZUBPQFABH-IMJJTQAJSA-N 1 0 346.387 1.872 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000820263877 593804125 /nfs/dbraw/zinc/80/41/25/593804125.db2.gz INIDJEHADROSTE-GMSGAONNSA-N 1 0 342.758 1.746 20 5 EDBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NCCC[NH+](C)C ZINC000822149131 594000581 /nfs/dbraw/zinc/00/05/81/594000581.db2.gz XOXIHCUIHFCOOH-UHFFFAOYSA-N 1 0 326.328 1.374 20 5 EDBDRO COC[C@@]1(c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)CC[NH2+]C1 ZINC000822864089 594113306 /nfs/dbraw/zinc/11/33/06/594113306.db2.gz XDVIAIAOEOISNQ-MRXNPFEDSA-N 1 0 332.360 1.755 20 5 EDBDRO [NH3+]CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(F)(F)F ZINC000825200726 594146585 /nfs/dbraw/zinc/14/65/85/594146585.db2.gz GUBLQZDSVLREGJ-VIFPVBQESA-N 1 0 336.226 1.513 20 5 EDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000825201921 594146800 /nfs/dbraw/zinc/14/68/00/594146800.db2.gz OPLAZZLZLFRYHE-LLVKDONJSA-N 1 0 334.298 1.670 20 5 EDBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000823133391 594158205 /nfs/dbraw/zinc/15/82/05/594158205.db2.gz OQVSKMJVQOEVEW-SNVBAGLBSA-N 1 0 338.339 1.516 20 5 EDBDRO O=[N+]([O-])c1cc(-c2noc([C@@H]3C[C@H]4C[C@H]4[NH2+]3)n2)ccc1-n1cncn1 ZINC000823259721 594177172 /nfs/dbraw/zinc/17/71/72/594177172.db2.gz PQBMTEJBGOYNLA-MXWKQRLJSA-N 1 0 339.315 1.648 20 5 EDBDRO CC(C)OCC[NH+]1CCC(NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000826615584 594540836 /nfs/dbraw/zinc/54/08/36/594540836.db2.gz KUZCPRKDHYCBJS-UHFFFAOYSA-N 1 0 329.441 1.828 20 5 EDBDRO COc1cc(F)c([N+](=O)[O-])c(N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1 ZINC000826677218 594552967 /nfs/dbraw/zinc/55/29/67/594552967.db2.gz KHHAAKJKCMBODD-SNVBAGLBSA-N 1 0 340.355 1.299 20 5 EDBDRO CN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000832405951 594748090 /nfs/dbraw/zinc/74/80/90/594748090.db2.gz QCWIRLRDDCTRFB-AMFJVREVSA-N 1 0 333.388 1.712 20 5 EDBDRO C[NH+]1CCN(C[C@@H](O)COc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000840767995 594815503 /nfs/dbraw/zinc/81/55/03/594815503.db2.gz YXMDBGLABRGPSY-LLVKDONJSA-N 1 0 329.784 1.235 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000841176506 594864045 /nfs/dbraw/zinc/86/40/45/594864045.db2.gz BLODAEQZYQXZIO-JTQLQIEISA-N 1 0 340.355 1.470 20 5 EDBDRO Cc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c(N)c([N+](=O)[O-])c1 ZINC000833558480 594873589 /nfs/dbraw/zinc/87/35/89/594873589.db2.gz CDMCMVKVYRCZJA-LBPRGKRZSA-N 1 0 336.392 1.062 20 5 EDBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc([N+](=O)[O-])ccc1Cl ZINC000833565847 594875628 /nfs/dbraw/zinc/87/56/28/594875628.db2.gz MXPSWRULEHBTLL-LBPRGKRZSA-N 1 0 341.795 1.825 20 5 EDBDRO CC[NH2+]CCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841917717 594981579 /nfs/dbraw/zinc/98/15/79/594981579.db2.gz MVOWNDUWPKQKNK-UHFFFAOYSA-N 1 0 335.408 1.426 20 5 EDBDRO O=C(NCC[NH2+]C1CC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843335491 595078635 /nfs/dbraw/zinc/07/86/35/595078635.db2.gz NNTVOUJVMCOUGU-UHFFFAOYSA-N 1 0 346.156 1.978 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000842479944 595116463 /nfs/dbraw/zinc/11/64/63/595116463.db2.gz JVNBQDCRJAMZCQ-NXEZZACHSA-N 1 0 347.824 1.962 20 5 EDBDRO CC(C)(C(=O)Nc1cnn(C2CC[NH2+]CC2)c1)n1cc([N+](=O)[O-])cn1 ZINC000843456372 595117039 /nfs/dbraw/zinc/11/70/39/595117039.db2.gz AFSYAOWLDSYBCW-UHFFFAOYSA-N 1 0 347.379 1.286 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1F ZINC000842485829 595121142 /nfs/dbraw/zinc/12/11/42/595121142.db2.gz NFZAEALHYFRAHO-ONGXEEELSA-N 1 0 345.396 1.648 20 5 EDBDRO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000843513506 595138579 /nfs/dbraw/zinc/13/85/79/595138579.db2.gz GOWMDWJROZNJCX-CYBMUJFWSA-N 1 0 334.332 1.908 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843766547 595181092 /nfs/dbraw/zinc/18/10/92/595181092.db2.gz NNVHZMBZHBXOMS-UHFFFAOYSA-N 1 0 327.356 1.740 20 5 EDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000843798085 595189021 /nfs/dbraw/zinc/18/90/21/595189021.db2.gz PXLWSCPPNKAOCO-NSHDSACASA-N 1 0 338.383 1.408 20 5 EDBDRO CN(CC[NH+]1CCCCC1)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000846611095 595285166 /nfs/dbraw/zinc/28/51/66/595285166.db2.gz AAYJWMQVGVSICC-UHFFFAOYSA-N 1 0 345.403 1.889 20 5 EDBDRO C[C@H]1COCC[N@@H+]1C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846911009 595336242 /nfs/dbraw/zinc/33/62/42/595336242.db2.gz GIIVYGBUEJADFP-KBXCAEBGSA-N 1 0 349.431 1.813 20 5 EDBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000846958993 595343232 /nfs/dbraw/zinc/34/32/32/595343232.db2.gz QKRBVRATDMYNDZ-NEPJUHHUSA-N 1 0 327.768 1.936 20 5 EDBDRO [NH3+]C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000848438910 595379848 /nfs/dbraw/zinc/37/98/48/595379848.db2.gz YQESFWMINJGQLE-VIFPVBQESA-N 1 0 343.664 1.936 20 5 EDBDRO COC[C@@H]1CCC[N@@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848479768 595390405 /nfs/dbraw/zinc/39/04/05/595390405.db2.gz BFGBUJLBXUWPSM-HOTGVXAUSA-N 1 0 333.388 1.979 20 5 EDBDRO C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848676564 595426608 /nfs/dbraw/zinc/42/66/08/595426608.db2.gz NWBSXPPCKKHNLO-WVZRYYJFSA-N 1 0 337.420 1.716 20 5 EDBDRO COCC[NH+]1CCC(OC(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000847885836 595497091 /nfs/dbraw/zinc/49/70/91/595497091.db2.gz SIDCPIWGTJBGSS-UHFFFAOYSA-N 1 0 338.360 1.871 20 5 EDBDRO CCS(=O)(=O)C1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000850554259 595535244 /nfs/dbraw/zinc/53/52/44/595535244.db2.gz BVJGMGKTJKKDLQ-SNVBAGLBSA-N 1 0 327.406 1.795 20 5 EDBDRO O=C([C@@H]1[NH2+]CC12CCCC2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000852786592 595541469 /nfs/dbraw/zinc/54/14/69/595541469.db2.gz YASGYOGDKVROTK-HNNXBMFYSA-N 1 0 345.403 1.171 20 5 EDBDRO O=C(N(C1CC1)[C@@H]1CC[NH2+]C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857767101 595600754 /nfs/dbraw/zinc/60/07/54/595600754.db2.gz ZNMBKHVBFVOREI-GFCCVEGCSA-N 1 0 341.314 1.919 20 5 EDBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[C@@H]1CC[N@H+](C)C1 ZINC000855360852 595685319 /nfs/dbraw/zinc/68/53/19/595685319.db2.gz PFCPLLOJXKWDSG-LLVKDONJSA-N 1 0 338.383 1.966 20 5 EDBDRO COC(=O)C[C@]1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCCOC1 ZINC000851947492 595981641 /nfs/dbraw/zinc/98/16/41/595981641.db2.gz TUQMXVHVIKLKBD-OAHLLOKOSA-N 1 0 326.324 1.936 20 5 EDBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000856476070 596001087 /nfs/dbraw/zinc/00/10/87/596001087.db2.gz LVZBUYMDQXDGNV-YOEHRIQHSA-N 1 0 347.415 1.866 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)c1 ZINC000859585800 596139544 /nfs/dbraw/zinc/13/95/44/596139544.db2.gz CTUKAYKTXFSCIR-DLBZAZTESA-N 1 0 346.387 1.136 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000854650456 596150063 /nfs/dbraw/zinc/15/00/63/596150063.db2.gz CFFZTGNVUNRHFA-ZYHUDNBSSA-N 1 0 336.348 1.976 20 5 EDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000854650744 596150221 /nfs/dbraw/zinc/15/02/21/596150221.db2.gz UBJSIEFDRLEIGH-ZWNOBZJWSA-N 1 0 338.383 1.965 20 5 EDBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc([N+](=O)[O-])ccc1F ZINC000854690493 596162079 /nfs/dbraw/zinc/16/20/79/596162079.db2.gz XFMNCZMCVVWODL-LBPRGKRZSA-N 1 0 325.340 1.311 20 5 EDBDRO COC(=O)C1=CC[C@@H]([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000862466245 596333645 /nfs/dbraw/zinc/33/36/45/596333645.db2.gz XTEIMODYCLQBRN-GFCCVEGCSA-N 1 0 336.344 1.963 20 5 EDBDRO COC(=O)C1=CC[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000862464886 596333718 /nfs/dbraw/zinc/33/37/18/596333718.db2.gz LDJVNXUSPRQGDN-LBPRGKRZSA-N 1 0 334.328 1.717 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+]CCC2(C)C)c(F)cc1[N+](=O)[O-] ZINC000866803385 596355107 /nfs/dbraw/zinc/35/51/07/596355107.db2.gz UHLCHQFVBHDEKW-UHFFFAOYSA-N 1 0 345.396 1.805 20 5 EDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000870964820 596420502 /nfs/dbraw/zinc/42/05/02/596420502.db2.gz DQLQMYVHUFHKNJ-OTSSQURYSA-N 1 0 328.166 1.824 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC[C@@H]21 ZINC000867812078 596563470 /nfs/dbraw/zinc/56/34/70/596563470.db2.gz HWSINJPEBUBXDU-ZJUUUORDSA-N 1 0 331.419 1.371 20 5 EDBDRO C[NH+](C)C1(CN2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CCC1 ZINC000863504786 596604356 /nfs/dbraw/zinc/60/43/56/596604356.db2.gz CFWNJEORJZFLCL-MRXNPFEDSA-N 1 0 346.387 1.846 20 5 EDBDRO COC(=O)C1=CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000863572283 596622662 /nfs/dbraw/zinc/62/26/62/596622662.db2.gz MUHSWIXVIIKJQO-QWHCGFSZSA-N 1 0 336.344 1.186 20 5 EDBDRO COCCC1(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000868041539 596665646 /nfs/dbraw/zinc/66/56/46/596665646.db2.gz AYCYKKRRESLUCX-UHFFFAOYSA-N 1 0 335.404 1.802 20 5 EDBDRO CC(C)(O)C[C@@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000871978320 596773835 /nfs/dbraw/zinc/77/38/35/596773835.db2.gz XSRLEZOTGPAPKE-CQSZACIVSA-N 1 0 338.404 1.960 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000866206754 596826880 /nfs/dbraw/zinc/82/68/80/596826880.db2.gz FVQOJFKVPVGMJM-AAEUAGOBSA-N 1 0 334.376 1.615 20 5 EDBDRO CN1CC[NH+](C2CCN(c3c(Cl)cncc3[N+](=O)[O-])CC2)CC1 ZINC000866212494 596829787 /nfs/dbraw/zinc/82/97/87/596829787.db2.gz GLSWDIOSCDGLHR-UHFFFAOYSA-N 1 0 339.827 1.859 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000866213747 596830058 /nfs/dbraw/zinc/83/00/58/596830058.db2.gz XKQGVAMJCSLDJC-UHFFFAOYSA-N 1 0 336.440 1.336 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000872230732 596846434 /nfs/dbraw/zinc/84/64/34/596846434.db2.gz IBVQIIQVWAGZLP-WCFLWFBJSA-N 1 0 348.325 1.887 20 5 EDBDRO COCCN(CC1CC[NH+](C)CC1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000872632388 597001027 /nfs/dbraw/zinc/00/10/27/597001027.db2.gz NBVCKJPZCAWFGH-UHFFFAOYSA-N 1 0 339.440 1.656 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)ccc1[N+](=O)[O-] ZINC000872663307 597018001 /nfs/dbraw/zinc/01/80/01/597018001.db2.gz JSSZJOVZDQWTDL-HUUCEWRRSA-N 1 0 339.417 1.760 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)ccc1[N+](=O)[O-] ZINC000874366385 597038705 /nfs/dbraw/zinc/03/87/05/597038705.db2.gz HSHYVFQDGHSQFW-CABCVRRESA-N 1 0 346.387 1.537 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(Cn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@@H]21 ZINC000872726093 597047743 /nfs/dbraw/zinc/04/77/43/597047743.db2.gz LINYZOAKGKTIPC-AAEUAGOBSA-N 1 0 332.360 1.486 20 5 EDBDRO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000872781271 597064835 /nfs/dbraw/zinc/06/48/35/597064835.db2.gz QYBBECFDAXGOPQ-CHWSQXEVSA-N 1 0 334.376 1.839 20 5 EDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000874847499 597198489 /nfs/dbraw/zinc/19/84/89/597198489.db2.gz PEAHWWZTFQHEAM-OLZOCXBDSA-N 1 0 347.371 1.675 20 5 EDBDRO COC[C@@H](O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000877504421 597526436 /nfs/dbraw/zinc/52/64/36/597526436.db2.gz FSEWGEJLZYFGPH-LURJTMIESA-N 1 0 325.184 1.516 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000877609525 597541269 /nfs/dbraw/zinc/54/12/69/597541269.db2.gz BNPSKTWDIMEQHH-UHFFFAOYSA-N 1 0 334.420 1.417 20 5 EDBDRO C=C/C=C\CC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000878722049 597690467 /nfs/dbraw/zinc/69/04/67/597690467.db2.gz OQUXQLWAUCKFQT-PLNGDYQASA-N 1 0 339.417 1.937 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1F ZINC000882101725 597868720 /nfs/dbraw/zinc/86/87/20/597868720.db2.gz DJQXCVPYLOOIBP-VXGBXAGGSA-N 1 0 345.396 1.803 20 5 EDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000882484265 597972343 /nfs/dbraw/zinc/97/23/43/597972343.db2.gz XQIVHYMBTLTMRU-OAHLLOKOSA-N 1 0 329.360 1.605 20 5 EDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@H](O)CC3(CCOCC3)C2)c1 ZINC000880589118 597973671 /nfs/dbraw/zinc/97/36/71/597973671.db2.gz KSRVUVJSPHWZGB-OAHLLOKOSA-N 1 0 336.388 1.837 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCCO2)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000884293342 598057290 /nfs/dbraw/zinc/05/72/90/598057290.db2.gz AOSALJMCGLXMKW-DGCLKSJQSA-N 1 0 347.371 1.580 20 5 EDBDRO COC(=O)c1ccnc(N2CCC(C)([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC000882963070 598118667 /nfs/dbraw/zinc/11/86/67/598118667.db2.gz MYFODNJHBTYFNX-UHFFFAOYSA-N 1 0 334.376 1.841 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCC[NH+]1CCCCC1 ZINC000915278120 695778735 /nfs/dbraw/zinc/77/87/35/695778735.db2.gz LVYDYSMYLBFACD-UHFFFAOYSA-N 1 0 332.360 1.974 20 5 EDBDRO CC(=O)OC1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000153575789 695797104 /nfs/dbraw/zinc/79/71/04/695797104.db2.gz BITJOQBWSTZOTQ-LLVKDONJSA-N 1 0 335.360 1.949 20 5 EDBDRO O=C(NC1CN(Cc2csc([N+](=O)[O-])c2)C1)C12CC[NH+](CC1)C2 ZINC001031264634 696077281 /nfs/dbraw/zinc/07/72/81/696077281.db2.gz REYBQQIXBBDJJU-UHFFFAOYSA-N 1 0 336.417 1.053 20 5 EDBDRO C[NH+]1C[C@@]2(C)CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000918351239 697156292 /nfs/dbraw/zinc/15/62/92/697156292.db2.gz IZEZQSLXHDYCEW-GJZGRUSLSA-N 1 0 339.417 1.557 20 5 EDBDRO COc1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000996428445 702782815 /nfs/dbraw/zinc/78/28/15/702782815.db2.gz DJTHPGVDHDILOQ-HZPDHXFCSA-N 1 0 333.388 1.441 20 5 EDBDRO CC(C)c1ccc(C[NH2+]C[C@@]2(CO)COCCN2C)cc1[N+](=O)[O-] ZINC000922538928 703948130 /nfs/dbraw/zinc/94/81/30/703948130.db2.gz JCYLWROITQWNLX-QGZVFWFLSA-N 1 0 337.420 1.501 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CC1CCN(C(=O)c2cc[nH]c2)CC1 ZINC000997803900 704715727 /nfs/dbraw/zinc/71/57/27/704715727.db2.gz ODXSNLUIQLVHTO-UHFFFAOYSA-N 1 0 346.391 1.298 20 5 EDBDRO O=C(Cc1ccon1)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001002494064 709047036 /nfs/dbraw/zinc/04/70/36/709047036.db2.gz IJBPKVGDFBQBBZ-UHFFFAOYSA-N 1 0 344.371 1.906 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CC[C@H](NC(=O)c2ccon2)CC1 ZINC001034601040 710280396 /nfs/dbraw/zinc/28/03/96/710280396.db2.gz IZJDWBUKHKZJPK-XYPYZODXSA-N 1 0 348.363 1.147 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000054463333 214239805 /nfs/dbraw/zinc/23/98/05/214239805.db2.gz DWYHUWCZKZYXDN-AWEZNQCLSA-N 1 0 336.392 1.385 20 5 EDBDRO C[NH+](C)C[C@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCO1 ZINC000332054717 282139259 /nfs/dbraw/zinc/13/92/59/282139259.db2.gz YWMJQGIKUFQSIA-NSHDSACASA-N 1 0 332.360 1.479 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000175111568 231386957 /nfs/dbraw/zinc/38/69/57/231386957.db2.gz PWYQTRCYOPAZCV-CYBMUJFWSA-N 1 0 341.433 1.926 20 5 EDBDRO COC(=O)c1cc(C(=O)N(C)CC2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000103453518 219301730 /nfs/dbraw/zinc/30/17/30/219301730.db2.gz BUHDDYNDWPNMTF-UHFFFAOYSA-N 1 0 349.387 1.795 20 5 EDBDRO CC(=O)N1CCC(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000562984861 306314849 /nfs/dbraw/zinc/31/48/49/306314849.db2.gz MBBGUYDTJODCIR-UHFFFAOYSA-N 1 0 348.403 1.772 20 5 EDBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)CC1 ZINC000128140133 222917125 /nfs/dbraw/zinc/91/71/25/222917125.db2.gz SOQOPFCOUPWZOL-ZDUSSCGKSA-N 1 0 335.408 1.902 20 5 EDBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C[C@@H]12 ZINC000185072827 235574696 /nfs/dbraw/zinc/57/46/96/235574696.db2.gz URYNTYPCEWFDJL-BNOWGMLFSA-N 1 0 330.388 1.978 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000068202617 138192633 /nfs/dbraw/zinc/19/26/33/138192633.db2.gz WYERPSDVYIAGLL-CQSZACIVSA-N 1 0 337.424 1.726 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@](C)(O)C1 ZINC000124446133 138326621 /nfs/dbraw/zinc/32/66/21/138326621.db2.gz DGFGYSPSYWZPAR-INIZCTEOSA-N 1 0 337.376 1.779 20 5 EDBDRO Cc1nn(C)c(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000132933200 138385617 /nfs/dbraw/zinc/38/56/17/138385617.db2.gz IYEUYHHITSGHMP-KGLIPLIRSA-N 1 0 337.424 1.817 20 5 EDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000186887545 236054769 /nfs/dbraw/zinc/05/47/69/236054769.db2.gz YLTKMVAHYQSTLS-CYBMUJFWSA-N 1 0 335.404 1.441 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCc2ccncc2)cc1 ZINC000564321884 306358301 /nfs/dbraw/zinc/35/83/01/306358301.db2.gz WNOMJHUMBVUCSS-UHFFFAOYSA-N 1 0 335.385 1.596 20 5 EDBDRO COc1ccc(OCC[NH+]2CCC(CC(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000173536459 237260579 /nfs/dbraw/zinc/26/05/79/237260579.db2.gz HTKDMSFTAJADQU-UHFFFAOYSA-N 1 0 337.376 1.570 20 5 EDBDRO CCOc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000564845249 306366784 /nfs/dbraw/zinc/36/67/84/306366784.db2.gz VLZDBQDMINHYGD-CYBMUJFWSA-N 1 0 338.339 1.480 20 5 EDBDRO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000261659678 283513614 /nfs/dbraw/zinc/51/36/14/283513614.db2.gz AOAQFFVYBCCFOE-ZIAGYGMSSA-N 1 0 332.404 1.618 20 5 EDBDRO NCC(F)(F)CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000565151251 306376111 /nfs/dbraw/zinc/37/61/11/306376111.db2.gz KEXREGYFALHXHZ-UHFFFAOYSA-N 1 0 328.319 1.228 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000332559224 283582448 /nfs/dbraw/zinc/58/24/48/283582448.db2.gz UBYSSBVQVWEPAC-OLZOCXBDSA-N 1 0 348.407 1.091 20 5 EDBDRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000130671444 223168598 /nfs/dbraw/zinc/16/85/98/223168598.db2.gz WFAWADWQLIBWNI-ZDUSSCGKSA-N 1 0 341.433 1.746 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC[C@@H](C)O ZINC000072713960 216298723 /nfs/dbraw/zinc/29/87/23/216298723.db2.gz RGSBYKHNLVDGBT-LLVKDONJSA-N 1 0 325.365 1.635 20 5 EDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000566098807 306398915 /nfs/dbraw/zinc/39/89/15/306398915.db2.gz UXLATULHEYLKPT-GXFFZTMASA-N 1 0 335.360 1.613 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000566224535 306404297 /nfs/dbraw/zinc/40/42/97/306404297.db2.gz PUKWJSKURPKNKX-DGCLKSJQSA-N 1 0 341.433 1.763 20 5 EDBDRO [NH3+]CCc1nc(C(=O)NCCNc2ccccc2[N+](=O)[O-])cs1 ZINC000194766920 139000288 /nfs/dbraw/zinc/00/02/88/139000288.db2.gz SVLFDGYYHNWUJJ-UHFFFAOYSA-N 1 0 335.389 1.394 20 5 EDBDRO C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@H+](C)Cc1ccccc1 ZINC000110347513 220030835 /nfs/dbraw/zinc/03/08/35/220030835.db2.gz BUCHXOLDIRKUDD-AWEZNQCLSA-N 1 0 345.403 1.818 20 5 EDBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000237280091 139046394 /nfs/dbraw/zinc/04/63/94/139046394.db2.gz IZXOKGQBMVLAFH-SNVBAGLBSA-N 1 0 347.824 1.929 20 5 EDBDRO C[NH2+]CC1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000237326980 139047947 /nfs/dbraw/zinc/04/79/47/139047947.db2.gz SFJBLPSTVJIDMI-UHFFFAOYSA-N 1 0 337.376 1.440 20 5 EDBDRO C[NH2+]CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000237360362 139049165 /nfs/dbraw/zinc/04/91/65/139049165.db2.gz MXYNMVPQUXVORW-UHFFFAOYSA-N 1 0 327.406 1.523 20 5 EDBDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000111220980 220113751 /nfs/dbraw/zinc/11/37/51/220113751.db2.gz LQVOFTHIULUAKM-RYUDHWBXSA-N 1 0 334.376 1.143 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111317260 220139074 /nfs/dbraw/zinc/13/90/74/220139074.db2.gz RBIWYCYJWXXFHO-ONXXMXGDSA-N 1 0 349.387 1.920 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000247552041 139152111 /nfs/dbraw/zinc/15/21/11/139152111.db2.gz QAMMNYLDLVQMCJ-CVEARBPZSA-N 1 0 348.428 1.942 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000248148024 139158746 /nfs/dbraw/zinc/15/87/46/139158746.db2.gz IJGCLHUGFQDHMX-UHFFFAOYSA-N 1 0 347.824 1.929 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000568857071 306490337 /nfs/dbraw/zinc/49/03/37/306490337.db2.gz QSZXDSFIVNMLFS-KRWDZBQOSA-N 1 0 347.371 1.582 20 5 EDBDRO COc1ccc(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000261620312 139211738 /nfs/dbraw/zinc/21/17/38/139211738.db2.gz BZTYGBRRAREDQN-AWEZNQCLSA-N 1 0 343.405 1.271 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261674006 139216318 /nfs/dbraw/zinc/21/63/18/139216318.db2.gz GLTYMBUQJQFPJO-AWEZNQCLSA-N 1 0 327.406 1.517 20 5 EDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC2(CC[NH2+]C2)CC1 ZINC000261708198 139219323 /nfs/dbraw/zinc/21/93/23/139219323.db2.gz GBSYHIKBRYXGFN-UHFFFAOYSA-N 1 0 333.388 1.966 20 5 EDBDRO [NH3+][C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000261737325 139221919 /nfs/dbraw/zinc/22/19/19/139221919.db2.gz KGYCGDDXDHDSDX-INIZCTEOSA-N 1 0 335.404 1.788 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@](C)(C[NH3+])C1 ZINC000261745245 139222469 /nfs/dbraw/zinc/22/24/69/139222469.db2.gz PQFZSHAJVCUWEK-ZBEGNZNMSA-N 1 0 336.392 1.601 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261793455 139226536 /nfs/dbraw/zinc/22/65/36/139226536.db2.gz MCFGZTRBJDWKAQ-TXEJJXNPSA-N 1 0 347.371 1.438 20 5 EDBDRO O=C(CC[C@H]1CC[NH2+]C1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000261939161 139238618 /nfs/dbraw/zinc/23/86/18/139238618.db2.gz ZZHVRTBOTDNRIC-QWHCGFSZSA-N 1 0 333.392 1.392 20 5 EDBDRO C[NH2+]CCC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000262015603 139243899 /nfs/dbraw/zinc/24/38/99/139243899.db2.gz CJINLSVSUGAOPD-ZDUSSCGKSA-N 1 0 337.376 1.703 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000262051246 139246802 /nfs/dbraw/zinc/24/68/02/139246802.db2.gz CVVLDZIYCTTXCR-LEWSCRJBSA-N 1 0 325.390 1.343 20 5 EDBDRO C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415514260 304225943 /nfs/dbraw/zinc/22/59/43/304225943.db2.gz ZFWGTXOLWUAONH-JTQLQIEISA-N 1 0 336.392 1.542 20 5 EDBDRO Cc1c(NC(=O)C(=O)NCC2(C)CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000415566762 304226793 /nfs/dbraw/zinc/22/67/93/304226793.db2.gz GAXTXPMXFRAMAR-UHFFFAOYSA-N 1 0 334.376 1.348 20 5 EDBDRO [NH3+]CC1(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCCC1 ZINC000262167669 139256649 /nfs/dbraw/zinc/25/66/49/139256649.db2.gz JVIICCVMBRSBAW-UHFFFAOYSA-N 1 0 329.360 1.782 20 5 EDBDRO Cc1cccc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)c1[N+](=O)[O-] ZINC000262167573 139256657 /nfs/dbraw/zinc/25/66/57/139256657.db2.gz HKKWTPOVHSRUKE-UHFFFAOYSA-N 1 0 341.371 1.960 20 5 EDBDRO O=C(NC[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1CCC[NH2+]1 ZINC000262179462 139257747 /nfs/dbraw/zinc/25/77/47/139257747.db2.gz INAMCGZNTRQRCL-WBVHZDCISA-N 1 0 346.431 1.675 20 5 EDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262285092 139266597 /nfs/dbraw/zinc/26/65/97/139266597.db2.gz VHKTWDKRMXPNGQ-DZGCQCFKSA-N 1 0 347.419 1.383 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000417172448 251145294 /nfs/dbraw/zinc/14/52/94/251145294.db2.gz FWNBMNGGZCMZPV-BXUZGUMPSA-N 1 0 336.392 1.872 20 5 EDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262382844 139275010 /nfs/dbraw/zinc/27/50/10/139275010.db2.gz NCWWWOFXSYCFGW-VXGBXAGGSA-N 1 0 329.360 1.651 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC000262444846 139279503 /nfs/dbraw/zinc/27/95/03/139279503.db2.gz HFUKFCIGGBZKQS-NXEZZACHSA-N 1 0 329.378 1.022 20 5 EDBDRO CCCN(C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CC[NH2+]C1 ZINC000418080917 251320718 /nfs/dbraw/zinc/32/07/18/251320718.db2.gz FAOMCFFLBKYYRB-GFCCVEGCSA-N 1 0 346.391 1.755 20 5 EDBDRO CS(=O)(=O)c1ccc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000262520140 139283997 /nfs/dbraw/zinc/28/39/97/139283997.db2.gz NZJWIGHLYRZLHD-ZMLRMANQSA-N 1 0 325.390 1.172 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1C ZINC000262585521 139288482 /nfs/dbraw/zinc/28/84/82/139288482.db2.gz ZRKSGXLDJLVMMO-JQWIXIFHSA-N 1 0 327.406 1.630 20 5 EDBDRO C[NH2+]CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000420182393 251634903 /nfs/dbraw/zinc/63/49/03/251634903.db2.gz JQNNUPXZRQPPIW-UHFFFAOYSA-N 1 0 342.421 1.401 20 5 EDBDRO NS(=O)(=O)c1cccc(NC[C@H]2CC[C@H](C[NH3+])CC2)c1[N+](=O)[O-] ZINC000420261508 251661668 /nfs/dbraw/zinc/66/16/68/251661668.db2.gz PLQBEEFQMZRGHS-XYPYZODXSA-N 1 0 342.421 1.419 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262793727 139304015 /nfs/dbraw/zinc/30/40/15/139304015.db2.gz SKVXSWPCRASILS-KWQFWETISA-N 1 0 333.797 1.525 20 5 EDBDRO COC(=O)c1cc(NC(=O)N2CCC[C@@H]2C[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415596609 304235861 /nfs/dbraw/zinc/23/58/61/304235861.db2.gz IASHNIPAYMMSNE-LLVKDONJSA-N 1 0 336.348 1.645 20 5 EDBDRO COC(=O)c1cc(NC(=O)NC[C@H]([NH3+])C2CC2)c(C)c([N+](=O)[O-])c1 ZINC000415595500 304235606 /nfs/dbraw/zinc/23/56/06/304235606.db2.gz HHDDTMRDNWLKQU-NSHDSACASA-N 1 0 336.348 1.549 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000424030025 252120762 /nfs/dbraw/zinc/12/07/62/252120762.db2.gz YQOBPCXWHIZWDY-HNNXBMFYSA-N 1 0 336.392 1.363 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000415610511 304238324 /nfs/dbraw/zinc/23/83/24/304238324.db2.gz XFZKITLFFLYUAU-UHTWSYAYSA-N 1 0 332.360 1.037 20 5 EDBDRO COc1cc(S(=O)(=O)N2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000150788850 533097362 /nfs/dbraw/zinc/09/73/62/533097362.db2.gz SROYQZQXTADAAY-UHFFFAOYSA-N 1 0 343.405 1.318 20 5 EDBDRO CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[N@H+](C)C1 ZINC000153700129 224144813 /nfs/dbraw/zinc/14/48/13/224144813.db2.gz XFVLBZYPHASAOL-OAHLLOKOSA-N 1 0 343.387 1.947 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000112917213 220420845 /nfs/dbraw/zinc/42/08/45/220420845.db2.gz WFOUYCIGNGJZGR-AWEZNQCLSA-N 1 0 349.435 1.149 20 5 EDBDRO O=[N+]([O-])c1cncc(Br)c1N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261579250 285187175 /nfs/dbraw/zinc/18/71/75/285187175.db2.gz DQDWENYOWLFHHT-IUCAKERBSA-N 1 0 327.182 1.798 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000245990247 285189172 /nfs/dbraw/zinc/18/91/72/285189172.db2.gz WTGUKESJWIFHEI-GXTWGEPZSA-N 1 0 326.422 1.778 20 5 EDBDRO Cc1nn(CCC(=O)NCC[NH+]2CCC(C)CC2)c(C)c1[N+](=O)[O-] ZINC000263665508 139351074 /nfs/dbraw/zinc/35/10/74/139351074.db2.gz KVHXTNKLENRPSJ-UHFFFAOYSA-N 1 0 337.424 1.646 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCOCC1 ZINC000113991168 220624004 /nfs/dbraw/zinc/62/40/04/220624004.db2.gz CRUHFJQDUYPPPR-UHFFFAOYSA-N 1 0 346.387 1.917 20 5 EDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000487880527 255038365 /nfs/dbraw/zinc/03/83/65/255038365.db2.gz YMNWZZODACAGIJ-AWEZNQCLSA-N 1 0 327.356 1.821 20 5 EDBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCC[N@H+]1CC=CCC1 ZINC000487570483 255033133 /nfs/dbraw/zinc/03/31/33/255033133.db2.gz GLJBINOQWLTRLI-UHFFFAOYSA-N 1 0 325.315 1.794 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)C[NH+](C)C ZINC000490065423 255077738 /nfs/dbraw/zinc/07/77/38/255077738.db2.gz WHFPYFPCTMFUHS-NSHDSACASA-N 1 0 329.422 1.633 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000493899050 255225269 /nfs/dbraw/zinc/22/52/69/255225269.db2.gz AYIXRWISSOQVCC-CHWSQXEVSA-N 1 0 341.433 1.973 20 5 EDBDRO COC(=O)[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000493249785 255199541 /nfs/dbraw/zinc/19/95/41/255199541.db2.gz CNAOPHIRNHOQLK-PSKZRQQASA-N 1 0 347.371 1.171 20 5 EDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493272382 255201012 /nfs/dbraw/zinc/20/10/12/255201012.db2.gz NPZICWRRIWTOQK-JUBSNLHESA-N 1 0 333.388 1.522 20 5 EDBDRO CC[C@]1(O)CC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000495210936 255273250 /nfs/dbraw/zinc/27/32/50/255273250.db2.gz GOFSTHIROCMADN-INIZCTEOSA-N 1 0 337.376 1.779 20 5 EDBDRO C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000415805612 304275969 /nfs/dbraw/zinc/27/59/69/304275969.db2.gz KQBFBVXLUNKUBE-VHSXEESVSA-N 1 0 336.392 1.683 20 5 EDBDRO Cc1nn(CCC(=O)NCC[N@H+]2CCCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000264019960 139375902 /nfs/dbraw/zinc/37/59/02/139375902.db2.gz XSMFUAFCJURNOX-GFCCVEGCSA-N 1 0 337.424 1.789 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000118097549 221116430 /nfs/dbraw/zinc/11/64/30/221116430.db2.gz XUAGFILWHGOKGS-CYBMUJFWSA-N 1 0 334.376 1.442 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000264148229 139383074 /nfs/dbraw/zinc/38/30/74/139383074.db2.gz HAPMWSPFOYLUJR-UHFFFAOYSA-N 1 0 341.433 1.724 20 5 EDBDRO C[C@H]1CCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000154954009 224333103 /nfs/dbraw/zinc/33/31/03/224333103.db2.gz XAOGFKZIRNDWBA-NSHDSACASA-N 1 0 333.392 1.542 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)c1C ZINC000261824691 291994964 /nfs/dbraw/zinc/99/49/64/291994964.db2.gz BBFXCNMDWUONFP-LBPRGKRZSA-N 1 0 327.406 1.632 20 5 EDBDRO Cc1cccc(C(=O)N2CCC([N@H+](C)CCCO)CC2)c1[N+](=O)[O-] ZINC000270379612 140089340 /nfs/dbraw/zinc/08/93/40/140089340.db2.gz OMABACCEFQSUGU-UHFFFAOYSA-N 1 0 335.404 1.822 20 5 EDBDRO Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000270625841 140136706 /nfs/dbraw/zinc/13/67/06/140136706.db2.gz HYAOHQIXNRDJMN-SWLSCSKDSA-N 1 0 329.360 1.802 20 5 EDBDRO Cn1ccc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000270628916 140137656 /nfs/dbraw/zinc/13/76/56/140137656.db2.gz LTHIYMLOUCKTQK-UHFFFAOYSA-N 1 0 338.389 1.001 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccccc2)n1 ZINC000270768479 140165424 /nfs/dbraw/zinc/16/54/24/140165424.db2.gz HCZUFRZLVZOHIU-UHFFFAOYSA-N 1 0 331.376 1.532 20 5 EDBDRO C[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000271684721 140333542 /nfs/dbraw/zinc/33/35/42/140333542.db2.gz DGAAFTQOLWOVSG-QWHCGFSZSA-N 1 0 341.433 1.917 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)COCc2ccccc2F)c1 ZINC000571910381 306577456 /nfs/dbraw/zinc/57/74/56/306577456.db2.gz UOLSLKZUMVIIPQ-CQSZACIVSA-N 1 0 338.339 1.098 20 5 EDBDRO O=C(N1CCCC1)[C@@]1(O)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000331655441 141062979 /nfs/dbraw/zinc/06/29/79/141062979.db2.gz LONAMLXIJZKVFR-GOSISDBHSA-N 1 0 347.415 1.587 20 5 EDBDRO CN(C)S(=O)(=O)c1ccc(NCCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000339964026 142214081 /nfs/dbraw/zinc/21/40/81/142214081.db2.gz YBVRJQRQCXXFEV-UHFFFAOYSA-N 1 0 330.410 1.209 20 5 EDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345922999 143147493 /nfs/dbraw/zinc/14/74/93/143147493.db2.gz PSYGWBDFDKMEIN-KGLIPLIRSA-N 1 0 334.420 1.972 20 5 EDBDRO COC(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000347012931 143271364 /nfs/dbraw/zinc/27/13/64/143271364.db2.gz OPTVUBNPILVGDD-CQSZACIVSA-N 1 0 347.371 1.690 20 5 EDBDRO C[C@@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000347075208 143279571 /nfs/dbraw/zinc/27/95/71/143279571.db2.gz AGFFSFFHDDYZHZ-YGRLFVJLSA-N 1 0 325.340 1.261 20 5 EDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351598793 143585914 /nfs/dbraw/zinc/58/59/14/143585914.db2.gz NVELAMNSMOWTCD-JTQLQIEISA-N 1 0 338.339 1.225 20 5 EDBDRO CN(CC[NH3+])C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416896217 304354105 /nfs/dbraw/zinc/35/41/05/304354105.db2.gz VZMLRUGTNWNKEM-UHFFFAOYSA-N 1 0 349.313 1.626 20 5 EDBDRO CN(C)C(=O)CN1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000573575507 306624991 /nfs/dbraw/zinc/62/49/91/306624991.db2.gz CLOGDNFKLRJINJ-INIZCTEOSA-N 1 0 346.431 1.724 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])[C@@H]2C1 ZINC000355328893 150219998 /nfs/dbraw/zinc/21/99/98/150219998.db2.gz YUNBBVJJVPSVGD-TZMCWYRMSA-N 1 0 335.360 1.236 20 5 EDBDRO CSC1(CNC(=O)c2cc([N+](=O)[O-])cnc2C)CC[NH+](C)CC1 ZINC000355449379 150271980 /nfs/dbraw/zinc/27/19/80/150271980.db2.gz WSBAAWSPPBEHCN-UHFFFAOYSA-N 1 0 338.433 1.855 20 5 EDBDRO COC(=O)COc1ccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000355756121 150387493 /nfs/dbraw/zinc/38/74/93/150387493.db2.gz KNHGYRGCEFZZPV-UONOGXRCSA-N 1 0 349.387 1.330 20 5 EDBDRO C[C@@H](CCNC(=O)c1nn(C)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000357915412 151194596 /nfs/dbraw/zinc/19/45/96/151194596.db2.gz UKVUXDJHPXEFHI-ZDUSSCGKSA-N 1 0 345.403 1.969 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358430673 151371957 /nfs/dbraw/zinc/37/19/57/151371957.db2.gz ZYMISPKPPSOTHX-LBPRGKRZSA-N 1 0 325.340 1.113 20 5 EDBDRO O=C1[C@@H](N2CC[C@]3(CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000360572658 152103290 /nfs/dbraw/zinc/10/32/90/152103290.db2.gz XYBJMHOEIROAQI-RDJZCZTQSA-N 1 0 330.388 1.386 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000360654347 152140188 /nfs/dbraw/zinc/14/01/88/152140188.db2.gz ULLRHPDJEYRRBE-DGCLKSJQSA-N 1 0 341.433 1.918 20 5 EDBDRO CC[C@H]1CN(c2c([N+](=O)[O-])nc(C)n2CC)CC[N@@H+]1C[C@@H](C)O ZINC000360901380 152246755 /nfs/dbraw/zinc/24/67/55/152246755.db2.gz IQJDADNOZPBHOV-YPMHNXCESA-N 1 0 325.413 1.401 20 5 EDBDRO CCc1n[nH]c(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1[N+](=O)[O-] ZINC000360924841 152253439 /nfs/dbraw/zinc/25/34/39/152253439.db2.gz CMEMDYVMPBXISU-DMDPSCGWSA-N 1 0 333.392 1.437 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000370171970 155361521 /nfs/dbraw/zinc/36/15/21/155361521.db2.gz IDYGVRMPIYUMIO-YPMHNXCESA-N 1 0 325.390 1.276 20 5 EDBDRO NS(=O)(=O)c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000364085325 153141417 /nfs/dbraw/zinc/14/14/17/153141417.db2.gz HEFFONPSIGJVKG-MNOVXSKESA-N 1 0 340.405 1.281 20 5 EDBDRO C[NH+](C)CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000364391573 153225143 /nfs/dbraw/zinc/22/51/43/153225143.db2.gz DDEOTPOBTURFNL-UHFFFAOYSA-N 1 0 336.392 1.010 20 5 EDBDRO [NH2+]=C(NO)[C@H]1CCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000364406893 153228761 /nfs/dbraw/zinc/22/87/61/153228761.db2.gz CEFWDFXXGNNHTA-WCQYABFASA-N 1 0 338.364 1.145 20 5 EDBDRO C[C@@H](CO)[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000364588108 153279474 /nfs/dbraw/zinc/27/94/74/153279474.db2.gz HHOGSRSQPFCVJV-LBPRGKRZSA-N 1 0 338.364 1.392 20 5 EDBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(F)c2F)CC1 ZINC000364931790 153374411 /nfs/dbraw/zinc/37/44/11/153374411.db2.gz DIEKSWGJPJDLRM-SNVBAGLBSA-N 1 0 343.330 1.402 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000262488319 292294501 /nfs/dbraw/zinc/29/45/01/292294501.db2.gz KSJLZYZXKZPGPQ-JQWIXIFHSA-N 1 0 327.406 1.509 20 5 EDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCn2ccnc21 ZINC000367120963 154015407 /nfs/dbraw/zinc/01/54/07/154015407.db2.gz KLOOBUWTMFHJJS-SECBINFHSA-N 1 0 333.323 1.820 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000367142460 154020876 /nfs/dbraw/zinc/02/08/76/154020876.db2.gz WVDYBNTYLYVOHL-AWEZNQCLSA-N 1 0 348.403 1.233 20 5 EDBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000367904423 154318670 /nfs/dbraw/zinc/31/86/70/154318670.db2.gz OEVBVWPLMHWKPM-YPMHNXCESA-N 1 0 347.371 1.928 20 5 EDBDRO Cc1cc(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)cc([N+](=O)[O-])c1F ZINC000369321652 154974266 /nfs/dbraw/zinc/97/42/66/154974266.db2.gz LEPVERGIYHZPEC-RTCCRHLQSA-N 1 0 343.380 1.685 20 5 EDBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000373896067 157052916 /nfs/dbraw/zinc/05/29/16/157052916.db2.gz PURRJQBEVUDBCZ-XQQFMLRXSA-N 1 0 332.360 1.252 20 5 EDBDRO COC(=O)[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1c1ccccc1 ZINC000374074492 157131372 /nfs/dbraw/zinc/13/13/72/157131372.db2.gz KXKNCAZKTNSLIG-LSDHHAIUSA-N 1 0 344.371 1.680 20 5 EDBDRO COc1ccccc1[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CCN1 ZINC000374338136 157251207 /nfs/dbraw/zinc/25/12/07/157251207.db2.gz RVQFPDQXTCRXOE-LBPRGKRZSA-N 1 0 331.328 1.983 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CCC[C@@H]32)cc1 ZINC000376012822 157712044 /nfs/dbraw/zinc/71/20/44/157712044.db2.gz FGNMGKHRBCUVIC-WFASDCNBSA-N 1 0 339.417 1.748 20 5 EDBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000377396142 157928173 /nfs/dbraw/zinc/92/81/73/157928173.db2.gz BCUUDOMBEDZRGN-XHDPSFHLSA-N 1 0 327.344 1.214 20 5 EDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000377481191 157937776 /nfs/dbraw/zinc/93/77/76/157937776.db2.gz HJXULWSRHOUQAI-NEPJUHHUSA-N 1 0 339.779 1.841 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000378029218 158061276 /nfs/dbraw/zinc/06/12/76/158061276.db2.gz VYDGEMKGXXYXSX-CYBMUJFWSA-N 1 0 339.417 1.605 20 5 EDBDRO O=[N+]([O-])c1ccc(OCCCN2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000378402764 158164259 /nfs/dbraw/zinc/16/42/59/158164259.db2.gz ZTKLNXBVFRJTBE-INIZCTEOSA-N 1 0 335.404 1.770 20 5 EDBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1ncc[nH]1 ZINC000378518382 158197853 /nfs/dbraw/zinc/19/78/53/158197853.db2.gz RVJMUKDFZWEOSC-ZDUSSCGKSA-N 1 0 343.343 1.411 20 5 EDBDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000159979826 225313987 /nfs/dbraw/zinc/31/39/87/225313987.db2.gz OGSDCWDBKBJLKK-LBPRGKRZSA-N 1 0 341.795 1.825 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000124860654 222488085 /nfs/dbraw/zinc/48/80/85/222488085.db2.gz FSVSLSTYTKRTQP-LBPRGKRZSA-N 1 0 327.406 1.584 20 5 EDBDRO CN(C)C(=O)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274150875 268109864 /nfs/dbraw/zinc/10/98/64/268109864.db2.gz YGTDVFMSKGMOBJ-UHFFFAOYSA-N 1 0 346.391 1.071 20 5 EDBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000274829607 268216356 /nfs/dbraw/zinc/21/63/56/268216356.db2.gz QRXQLEXVUPTSTL-CABCVRRESA-N 1 0 346.387 1.068 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000275191716 268294370 /nfs/dbraw/zinc/29/43/70/268294370.db2.gz FSPWIKREJDGNII-CYBMUJFWSA-N 1 0 336.392 1.697 20 5 EDBDRO CS[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000273862111 273058138 /nfs/dbraw/zinc/05/81/38/273058138.db2.gz ONTDUQBXMNLZAX-NEPJUHHUSA-N 1 0 325.394 1.499 20 5 EDBDRO Cc1nn(CCC(=O)N2CCC[C@H]([NH+](C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000277116439 273180289 /nfs/dbraw/zinc/18/02/89/273180289.db2.gz FBAINBSUHRFFAL-AWEZNQCLSA-N 1 0 337.424 1.741 20 5 EDBDRO CC(=O)N1CCN(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000278178650 273252368 /nfs/dbraw/zinc/25/23/68/273252368.db2.gz DGKWMGZEMQZHKP-SFHVURJKSA-N 1 0 346.431 1.726 20 5 EDBDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 ZINC000363918890 273532609 /nfs/dbraw/zinc/53/26/09/273532609.db2.gz IJCPYJBTLQTQDC-ZDUSSCGKSA-N 1 0 336.392 1.428 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3c(Br)cncc3[N+](=O)[O-])C[C@H]12 ZINC000261583230 274959187 /nfs/dbraw/zinc/95/91/87/274959187.db2.gz HCQWMWBKJJVEJS-KHQFGBGNSA-N 1 0 327.182 1.926 20 5 EDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CS(=O)(=O)CCO1)CCC2 ZINC000447581356 275038281 /nfs/dbraw/zinc/03/82/81/275038281.db2.gz UDRCBNYTHHBOIB-UKRRQHHQSA-N 1 0 340.401 1.375 20 5 EDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000255525320 287842564 /nfs/dbraw/zinc/84/25/64/287842564.db2.gz RPZPXDRGXYNAOL-IYKSTZQJSA-N 1 0 345.399 1.789 20 5 EDBDRO CCOC(=O)c1ccnc(N2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000077903808 276300548 /nfs/dbraw/zinc/30/05/48/276300548.db2.gz PVEDIBZYPXXWAM-UHFFFAOYSA-N 1 0 336.392 1.945 20 5 EDBDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000496002796 277333860 /nfs/dbraw/zinc/33/38/60/277333860.db2.gz CJHZCFNUPAGTFE-JTQLQIEISA-N 1 0 325.369 1.285 20 5 EDBDRO C[C@@H]1C[NH2+]CCN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000420177935 277933165 /nfs/dbraw/zinc/93/31/65/277933165.db2.gz SQYJHPFYILLWDI-LLVKDONJSA-N 1 0 329.360 1.357 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H](C)OC ZINC000191719113 277939898 /nfs/dbraw/zinc/93/98/98/277939898.db2.gz HHKGCJQFKMNSQG-GARJFASQSA-N 1 0 325.365 1.943 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC(C)(C)C[NH3+] ZINC000262322383 277939939 /nfs/dbraw/zinc/93/99/39/277939939.db2.gz RGMDTWTUFDKQSM-UHFFFAOYSA-N 1 0 331.394 1.209 20 5 EDBDRO C[C@H]([NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000451102163 278263359 /nfs/dbraw/zinc/26/33/59/278263359.db2.gz BJYJORNDDDINBP-LOUJCGABSA-N 1 0 337.420 1.716 20 5 EDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](C(N)=O)C1 ZINC000346921073 278313285 /nfs/dbraw/zinc/31/32/85/278313285.db2.gz JZFRTVSWBSNDQD-BYCMXARLSA-N 1 0 343.387 1.590 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420436191 278567184 /nfs/dbraw/zinc/56/71/84/278567184.db2.gz NZYVGVKILRKLJH-BXUZGUMPSA-N 1 0 327.406 1.055 20 5 EDBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000193606524 280227871 /nfs/dbraw/zinc/22/78/71/280227871.db2.gz HGAGICKFEPXMDH-CYBMUJFWSA-N 1 0 334.376 1.786 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH+](C)C)cc1OC ZINC000287349319 288216381 /nfs/dbraw/zinc/21/63/81/288216381.db2.gz ZOOKBMODJSTKHC-JTQLQIEISA-N 1 0 325.365 1.682 20 5 EDBDRO O=[N+]([O-])c1c(N[C@@H](CO)C[NH+]2CCCCC2)nc2sccn21 ZINC000289089256 288627478 /nfs/dbraw/zinc/62/74/78/288627478.db2.gz JONOCHUOFSQGHD-SNVBAGLBSA-N 1 0 325.394 1.563 20 5 EDBDRO O=C(C[NH2+][C@H](CO)C1CCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000289423814 288697476 /nfs/dbraw/zinc/69/74/76/288697476.db2.gz CJGPBOKPABRPOU-OAHLLOKOSA-N 1 0 333.388 1.625 20 5 EDBDRO CC[NH+](CC)CCCN1C(=O)c2cc([N+](=O)[O-])ccc2S1(=O)=O ZINC000289467648 288707502 /nfs/dbraw/zinc/70/75/02/288707502.db2.gz GYLZCPODFNNZNM-UHFFFAOYSA-N 1 0 341.389 1.471 20 5 EDBDRO O=C1NCCN1CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000290290295 288873088 /nfs/dbraw/zinc/87/30/88/288873088.db2.gz MTULMXDBWOZYTH-UHFFFAOYSA-N 1 0 334.376 1.463 20 5 EDBDRO COCC[C@@H]1COCCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000291118010 289003796 /nfs/dbraw/zinc/00/37/96/289003796.db2.gz AQGHVKYFWSMQEU-CYBMUJFWSA-N 1 0 340.376 1.720 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261679099 295190476 /nfs/dbraw/zinc/19/04/76/295190476.db2.gz HVERVDTXULRHSZ-LLVKDONJSA-N 1 0 343.405 1.353 20 5 EDBDRO [NH3+]C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000237906993 295263974 /nfs/dbraw/zinc/26/39/74/295263974.db2.gz REJDENRAIJWITI-JTQLQIEISA-N 1 0 328.166 1.824 20 5 EDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000331400560 295587932 /nfs/dbraw/zinc/58/79/32/295587932.db2.gz NPXXDLFIWBNBDC-GXTWGEPZSA-N 1 0 333.392 1.798 20 5 EDBDRO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000420424951 304756881 /nfs/dbraw/zinc/75/68/81/304756881.db2.gz IKPBIFDXGVZTLE-ONGXEEELSA-N 1 0 336.373 1.253 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1C ZINC000420462660 304760895 /nfs/dbraw/zinc/76/08/95/304760895.db2.gz VWGRWDBTLBYRTN-NEPJUHHUSA-N 1 0 327.406 1.617 20 5 EDBDRO C[C@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000420468776 304762216 /nfs/dbraw/zinc/76/22/16/304762216.db2.gz YGCCOMJTPZRDAF-SMDDNHRTSA-N 1 0 327.406 1.136 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420483817 304764110 /nfs/dbraw/zinc/76/41/10/304764110.db2.gz WWSSLVKVTXRWDC-YPMHNXCESA-N 1 0 341.433 1.763 20 5 EDBDRO Cc1ccnc(N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000374256270 302272553 /nfs/dbraw/zinc/27/25/53/302272553.db2.gz NGAPTYDEVLYVBK-AWEZNQCLSA-N 1 0 333.436 1.903 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000171041700 302734390 /nfs/dbraw/zinc/73/43/90/302734390.db2.gz MKXAJDYBCJMXMP-CYBMUJFWSA-N 1 0 335.408 1.727 20 5 EDBDRO O=C1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@H]([C@@H]2CCCO2)N1 ZINC000377732886 447326203 /nfs/dbraw/zinc/32/62/03/447326203.db2.gz QBPSGGIKTBIPQM-COPLHBTASA-N 1 0 325.390 1.572 20 5 EDBDRO CC(C)(CCC[NH3+])NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000293731876 303011097 /nfs/dbraw/zinc/01/10/97/303011097.db2.gz UAPMDLWKXMMTSD-UHFFFAOYSA-N 1 0 332.364 1.423 20 5 EDBDRO Cc1c(C(=O)NC(C)(C)CCC[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000293743715 303012982 /nfs/dbraw/zinc/01/29/82/303012982.db2.gz VIGHMORQHINURB-UHFFFAOYSA-N 1 0 346.391 1.731 20 5 EDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Br)cc1[N+](=O)[O-] ZINC000295153209 303181185 /nfs/dbraw/zinc/18/11/85/303181185.db2.gz CXDJLKZFEFMLSJ-JZYVYDRUSA-N 1 0 326.150 1.305 20 5 EDBDRO C[NH+](C)C1CCC(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000420722155 304776144 /nfs/dbraw/zinc/77/61/44/304776144.db2.gz FAGNBTGTPFYAIA-UHFFFAOYSA-N 1 0 341.433 1.887 20 5 EDBDRO [NH3+][C@H]1CCCN(C(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000423112040 304886859 /nfs/dbraw/zinc/88/68/59/304886859.db2.gz XFIRRRLTPLRNCK-ZDUSSCGKSA-N 1 0 346.387 1.036 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000423591546 304900606 /nfs/dbraw/zinc/90/06/06/304900606.db2.gz JLTLQHAXHZSWRT-TZMCWYRMSA-N 1 0 348.403 1.159 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000428547044 305011434 /nfs/dbraw/zinc/01/14/34/305011434.db2.gz LJULKOLBOVTGCD-ZDUSSCGKSA-N 1 0 345.359 1.147 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)CC(F)F ZINC000429465909 305030380 /nfs/dbraw/zinc/03/03/80/305030380.db2.gz YFMNTUSIRUFXNA-KOLCDFICSA-N 1 0 331.319 1.918 20 5 EDBDRO CNC(=O)[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430255774 305049115 /nfs/dbraw/zinc/04/91/15/305049115.db2.gz GSSZWWPRMBCTHZ-BZNIZROVSA-N 1 0 334.376 1.380 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@H]1[C@H](C)[NH3+] ZINC000430634890 305060576 /nfs/dbraw/zinc/06/05/76/305060576.db2.gz SZNCPKMPDGMFTP-FZMZJTMJSA-N 1 0 336.392 1.744 20 5 EDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC000432166926 305088567 /nfs/dbraw/zinc/08/85/67/305088567.db2.gz NRQPNOAYBUIBFB-VXGBXAGGSA-N 1 0 344.375 1.683 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000440831278 305213148 /nfs/dbraw/zinc/21/31/48/305213148.db2.gz ICWNDBABBRRNDA-NWDGAFQWSA-N 1 0 327.406 1.569 20 5 EDBDRO CO[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C[NH3+])C1 ZINC000440857600 305213452 /nfs/dbraw/zinc/21/34/52/305213452.db2.gz TTZKPLYKQXJGMT-NEPJUHHUSA-N 1 0 343.405 1.030 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCOCC[NH+](C)C ZINC000444901804 305254627 /nfs/dbraw/zinc/25/46/27/305254627.db2.gz LJVJYQPTTLBJOL-UHFFFAOYSA-N 1 0 326.353 1.303 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000446329086 305263185 /nfs/dbraw/zinc/26/31/85/305263185.db2.gz CVMQQMUEIOVJFT-CYBMUJFWSA-N 1 0 335.404 1.820 20 5 EDBDRO COCC[C@@]1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCOC1 ZINC000447379623 305279087 /nfs/dbraw/zinc/27/90/87/305279087.db2.gz CJXZNXOCGXXAGE-MRXNPFEDSA-N 1 0 337.376 1.627 20 5 EDBDRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449076435 305305878 /nfs/dbraw/zinc/30/58/78/305305878.db2.gz HJYDXUPIPWYQKP-CYBMUJFWSA-N 1 0 343.449 1.787 20 5 EDBDRO CC(=O)N1CCN(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449080453 305305954 /nfs/dbraw/zinc/30/59/54/305305954.db2.gz WJHLSTSYFXZBON-AWEZNQCLSA-N 1 0 334.420 1.280 20 5 EDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(OCCO)CCOCC1 ZINC000449308702 305310787 /nfs/dbraw/zinc/31/07/87/305310787.db2.gz ZDXHYFXDCWKOGP-CQSZACIVSA-N 1 0 338.404 1.674 20 5 EDBDRO O=C(CC[NH2+][C@@H]1C[C@@H](O)[C@@H]1n1cccn1)Nc1ccccc1[N+](=O)[O-] ZINC000517372150 305752042 /nfs/dbraw/zinc/75/20/42/305752042.db2.gz VVTCEEAKOZFJSB-XNRPHZJLSA-N 1 0 345.359 1.084 20 5 EDBDRO CN(CCC[NH+](C)C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000539416787 306035317 /nfs/dbraw/zinc/03/53/17/306035317.db2.gz BGVHUDDQUJLAFA-UHFFFAOYSA-N 1 0 337.376 1.319 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000542045824 306050936 /nfs/dbraw/zinc/05/09/36/306050936.db2.gz DAMMWHZIXMMCRX-NSHDSACASA-N 1 0 342.421 1.384 20 5 EDBDRO COC[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)C ZINC000544413873 306075009 /nfs/dbraw/zinc/07/50/09/306075009.db2.gz NBTFGILDHGTYME-LLVKDONJSA-N 1 0 339.348 1.523 20 5 EDBDRO C[C@@H](c1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1)N1CCOCC1 ZINC000548414157 306127506 /nfs/dbraw/zinc/12/75/06/306127506.db2.gz SOACXKKFYOKSCU-NSHDSACASA-N 1 0 345.359 1.963 20 5 EDBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])[C@H](C)C1 ZINC000548413864 306127554 /nfs/dbraw/zinc/12/75/54/306127554.db2.gz IQJKUUNTJJNAHY-YPMHNXCESA-N 1 0 339.396 1.185 20 5 EDBDRO COc1cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000548697851 306135442 /nfs/dbraw/zinc/13/54/42/306135442.db2.gz LHSZKRQMWOGPNP-LLVKDONJSA-N 1 0 343.405 1.366 20 5 EDBDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000548735889 306136275 /nfs/dbraw/zinc/13/62/75/306136275.db2.gz PRNOTCLKSQVNOU-NSHDSACASA-N 1 0 335.389 1.946 20 5 EDBDRO COc1cccc([C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000548735782 306136362 /nfs/dbraw/zinc/13/63/62/306136362.db2.gz FFJMQJJABYSMLM-CYBMUJFWSA-N 1 0 333.348 1.359 20 5 EDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000554013346 306188670 /nfs/dbraw/zinc/18/86/70/306188670.db2.gz UCKBQKXADZAJNT-ZFWWWQNUSA-N 1 0 340.401 1.421 20 5 EDBDRO CC[C@@H]1C[N@H+](C)CCN1c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000555242704 306200719 /nfs/dbraw/zinc/20/07/19/306200719.db2.gz WFPZSMASSVEVJC-LLVKDONJSA-N 1 0 342.421 1.033 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000449719451 447390064 /nfs/dbraw/zinc/39/00/64/447390064.db2.gz QSNIFOGVVKGSSG-DGCLKSJQSA-N 1 0 329.360 1.638 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000378018504 447396706 /nfs/dbraw/zinc/39/67/06/447396706.db2.gz UXZPCTXZVPXWEK-ZJUUUORDSA-N 1 0 345.808 1.478 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H]1CCO ZINC000426237269 447403939 /nfs/dbraw/zinc/40/39/39/447403939.db2.gz LCHNVYNUTSWVRW-GFCCVEGCSA-N 1 0 335.360 1.740 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000426258479 447409321 /nfs/dbraw/zinc/40/93/21/447409321.db2.gz VUVALDFSHPRTOB-NSHDSACASA-N 1 0 346.330 1.427 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000415428522 447429348 /nfs/dbraw/zinc/42/93/48/447429348.db2.gz AAOJZQGRZINFQF-LLVKDONJSA-N 1 0 338.364 1.032 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000046035118 441071037 /nfs/dbraw/zinc/07/10/37/441071037.db2.gz AEAORIFWSYLVIF-LBPRGKRZSA-N 1 0 341.433 1.913 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000007667747 441062801 /nfs/dbraw/zinc/06/28/01/441062801.db2.gz IXMAECGCBYXLGR-UHFFFAOYSA-N 1 0 335.813 1.787 20 5 EDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000061211612 441267701 /nfs/dbraw/zinc/26/77/01/441267701.db2.gz SLMMDRJSEVLQBK-UHFFFAOYSA-N 1 0 349.435 1.028 20 5 EDBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000024802306 441321248 /nfs/dbraw/zinc/32/12/48/441321248.db2.gz JDAGQRXKFJDQQV-GFCCVEGCSA-N 1 0 349.387 1.970 20 5 EDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCCC[NH+]1CCOCC1 ZINC000062260975 441298759 /nfs/dbraw/zinc/29/87/59/441298759.db2.gz WUIPXKJMSYTOJV-VMPITWQZSA-N 1 0 333.388 1.837 20 5 EDBDRO Cc1n[nH]c(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000085456759 441442241 /nfs/dbraw/zinc/44/22/41/441442241.db2.gz FDTFPEDAVQCMCB-GHMZBOCLSA-N 1 0 339.396 1.246 20 5 EDBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000110018393 441512217 /nfs/dbraw/zinc/51/22/17/441512217.db2.gz MYEONPXXVNJRBE-CMDGGOBGSA-N 1 0 346.431 1.704 20 5 EDBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000112917709 441567223 /nfs/dbraw/zinc/56/72/23/441567223.db2.gz CUNPUZJEZAQMKW-CQSZACIVSA-N 1 0 334.420 1.659 20 5 EDBDRO Cc1nn(C)c(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000089644293 441567240 /nfs/dbraw/zinc/56/72/40/441567240.db2.gz VDKXUUBSGMDQCU-CABCVRRESA-N 1 0 345.403 1.684 20 5 EDBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000112922856 441569484 /nfs/dbraw/zinc/56/94/84/441569484.db2.gz PLFVATAZXXFRDH-CQSZACIVSA-N 1 0 348.447 1.907 20 5 EDBDRO Cc1sc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000114385011 441652611 /nfs/dbraw/zinc/65/26/11/441652611.db2.gz YAMVJNBZGROAOZ-JTQLQIEISA-N 1 0 326.422 1.330 20 5 EDBDRO O=c1[nH]cnc2cc(N3CC[NH+](CC4CC4)CC3)c([N+](=O)[O-])cc12 ZINC000076871005 441691711 /nfs/dbraw/zinc/69/17/11/441691711.db2.gz PWONPSZFBQDRIN-UHFFFAOYSA-N 1 0 329.360 1.363 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000076989292 441704939 /nfs/dbraw/zinc/70/49/39/441704939.db2.gz MYWNDBUQMSUWJZ-LLVKDONJSA-N 1 0 340.355 1.157 20 5 EDBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CCCC1 ZINC000068664717 441837535 /nfs/dbraw/zinc/83/75/35/441837535.db2.gz PZRJTOVVVOMKKX-UHFFFAOYSA-N 1 0 342.421 1.529 20 5 EDBDRO COCC[NH+]1CCC(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000141359177 441850383 /nfs/dbraw/zinc/85/03/83/441850383.db2.gz VWEMQJDPWGZYQT-UHFFFAOYSA-N 1 0 346.387 1.917 20 5 EDBDRO CCc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)cc1[N+](=O)[O-] ZINC000174191825 441900929 /nfs/dbraw/zinc/90/09/29/441900929.db2.gz HADWTLIABIIOKK-HNNXBMFYSA-N 1 0 335.404 1.998 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1C ZINC000119072767 441915200 /nfs/dbraw/zinc/91/52/00/441915200.db2.gz AVYFIFVCBISRKQ-NEPJUHHUSA-N 1 0 327.406 1.583 20 5 EDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000119984174 441987597 /nfs/dbraw/zinc/98/75/97/441987597.db2.gz MWXNQQYNCBZACE-CQSZACIVSA-N 1 0 348.403 1.866 20 5 EDBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[NH+](C2CCCC2)CC1 ZINC000161545022 442010564 /nfs/dbraw/zinc/01/05/64/442010564.db2.gz BOEPRGUBSNDRPB-UHFFFAOYSA-N 1 0 336.396 1.061 20 5 EDBDRO CCc1n[nH]c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000175198775 442015864 /nfs/dbraw/zinc/01/58/64/442015864.db2.gz DHWHKMLGQHWZRF-UHFFFAOYSA-N 1 0 335.408 1.828 20 5 EDBDRO CNC(=O)C(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000120208950 442029393 /nfs/dbraw/zinc/02/93/93/442029393.db2.gz KLIGXEXTMRLOGD-UHFFFAOYSA-N 1 0 345.403 1.857 20 5 EDBDRO CC[NH+]1CCC(N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000151518588 442077477 /nfs/dbraw/zinc/07/74/77/442077477.db2.gz KFZGDOZOXKTEFP-UHFFFAOYSA-N 1 0 341.433 1.841 20 5 EDBDRO CC[NH+](CC)[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000126765851 442141504 /nfs/dbraw/zinc/14/15/04/442141504.db2.gz VUBUWWDGRNYDBG-HNNXBMFYSA-N 1 0 345.403 1.991 20 5 EDBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)c1ccco1 ZINC000164494142 442197761 /nfs/dbraw/zinc/19/77/61/442197761.db2.gz YUVMLKAUSOXKOY-NSHDSACASA-N 1 0 335.364 1.734 20 5 EDBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000127394781 442199206 /nfs/dbraw/zinc/19/92/06/442199206.db2.gz UOFXELXGCJZIJM-GFCCVEGCSA-N 1 0 336.392 1.793 20 5 EDBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000170709491 442251007 /nfs/dbraw/zinc/25/10/07/442251007.db2.gz OLGRWTVFZQXEPK-LLVKDONJSA-N 1 0 344.437 1.645 20 5 EDBDRO C[NH+](C)CC(=O)N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000170639561 442239660 /nfs/dbraw/zinc/23/96/60/442239660.db2.gz BLWHGKGWLCTMRW-UHFFFAOYSA-N 1 0 343.387 1.353 20 5 EDBDRO Cc1nn(CCC(=O)N2CCC[N@@H+](C3CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000170683320 442248147 /nfs/dbraw/zinc/24/81/47/442248147.db2.gz UTXLXOIEJDVDQH-UHFFFAOYSA-N 1 0 335.408 1.495 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)cc1[N+](=O)[O-] ZINC000176978382 442280004 /nfs/dbraw/zinc/28/00/04/442280004.db2.gz RKLAURMQADDJPJ-UHFFFAOYSA-N 1 0 348.384 1.943 20 5 EDBDRO CCCC[N@H+](C)CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153757672 442300528 /nfs/dbraw/zinc/30/05/28/442300528.db2.gz GMAQGXZZQATOHO-UHFFFAOYSA-N 1 0 329.422 1.746 20 5 EDBDRO CNS(=O)(=O)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130732596 442354637 /nfs/dbraw/zinc/35/46/37/442354637.db2.gz OHYSLZWENJQQSK-UHFFFAOYSA-N 1 0 327.406 1.499 20 5 EDBDRO C[NH2+]CC1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000171532887 442354667 /nfs/dbraw/zinc/35/46/67/442354667.db2.gz ZTSAUYSTIOEVOU-UHFFFAOYSA-N 1 0 343.405 1.224 20 5 EDBDRO COCCC[NH+]1CCC(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000171126746 442316793 /nfs/dbraw/zinc/31/67/93/442316793.db2.gz YVWDOCGNTVSIOK-UHFFFAOYSA-N 1 0 336.392 1.408 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000131428219 442371769 /nfs/dbraw/zinc/37/17/69/442371769.db2.gz KWELKXHGNOOTDQ-MRXNPFEDSA-N 1 0 335.404 1.490 20 5 EDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000131601184 442375573 /nfs/dbraw/zinc/37/55/73/442375573.db2.gz DANUVPBCAUTFEQ-KBOKABMXSA-N 1 0 347.415 1.961 20 5 EDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178085558 442407010 /nfs/dbraw/zinc/40/70/10/442407010.db2.gz XANIAJACQFMFPE-APHBUQMISA-N 1 0 345.399 1.789 20 5 EDBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000155676986 442418291 /nfs/dbraw/zinc/41/82/91/442418291.db2.gz BWMGMAXORRJUAO-QGZVFWFLSA-N 1 0 341.371 1.606 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000133591407 442425427 /nfs/dbraw/zinc/42/54/27/442425427.db2.gz GCUNWXJZUSOPEO-AAEUAGOBSA-N 1 0 346.387 1.066 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000178951945 442536719 /nfs/dbraw/zinc/53/67/19/442536719.db2.gz FJEXXOVFBZFQFE-OAHLLOKOSA-N 1 0 341.433 1.493 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH2+]C)C2)cc1OC ZINC000178979800 442544352 /nfs/dbraw/zinc/54/43/52/442544352.db2.gz KPUOUWUZQPJUCE-LLVKDONJSA-N 1 0 337.376 1.684 20 5 EDBDRO CCCN(C(=O)COc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CC[NH2+]C1 ZINC000178899348 442519187 /nfs/dbraw/zinc/51/91/87/442519187.db2.gz MVHSRBCNRSPLMX-GFCCVEGCSA-N 1 0 337.376 1.583 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN([C@H]2CCCCNC2=O)CC1 ZINC000173028219 442589467 /nfs/dbraw/zinc/58/94/67/442589467.db2.gz HHJUIJBSQDVOFI-HNNXBMFYSA-N 1 0 346.387 1.021 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173262901 442635307 /nfs/dbraw/zinc/63/53/07/442635307.db2.gz XTFOYJPXKBCGOP-AWEZNQCLSA-N 1 0 348.403 1.137 20 5 EDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000180533904 442618993 /nfs/dbraw/zinc/61/89/93/442618993.db2.gz QKHJXIYRAYZGOQ-TXEJJXNPSA-N 1 0 335.408 1.670 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000173245921 442632967 /nfs/dbraw/zinc/63/29/67/442632967.db2.gz YQANAFIAMMEKBO-JSGCOSHPSA-N 1 0 341.433 1.864 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000193285792 442729784 /nfs/dbraw/zinc/72/97/84/442729784.db2.gz HXQZOSHMGCFFAO-OLZOCXBDSA-N 1 0 341.433 1.960 20 5 EDBDRO C[NH+](C)CC(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182055345 442732126 /nfs/dbraw/zinc/73/21/26/442732126.db2.gz QWHWBBLFZDWMMX-UHFFFAOYSA-N 1 0 340.811 1.454 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[NH+](CC2CC2)CC1 ZINC000182216809 442746306 /nfs/dbraw/zinc/74/63/06/442746306.db2.gz YPHIUGGHKLWUGS-HNNXBMFYSA-N 1 0 335.404 1.362 20 5 EDBDRO C[C@H](CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[NH+]1CCCCC1 ZINC000182260078 442750614 /nfs/dbraw/zinc/75/06/14/442750614.db2.gz DRBGANDGMUYDHG-CYBMUJFWSA-N 1 0 336.392 1.137 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[N@@H+]1C1CC1 ZINC000182350347 442759307 /nfs/dbraw/zinc/75/93/07/442759307.db2.gz TUPMCOGPHBCBIM-ONGXEEELSA-N 1 0 333.344 1.679 20 5 EDBDRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246881578 442819623 /nfs/dbraw/zinc/81/96/23/442819623.db2.gz RDILJSLMHLKRRI-GXTWGEPZSA-N 1 0 348.403 1.722 20 5 EDBDRO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000246938009 442822894 /nfs/dbraw/zinc/82/28/94/442822894.db2.gz ALFWMKAYWDEWCF-HZSPNIEDSA-N 1 0 326.397 1.288 20 5 EDBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[NH+]2CCC1CC2 ZINC000188845487 442826414 /nfs/dbraw/zinc/82/64/14/442826414.db2.gz BWCXFOMFAXTNFP-UHFFFAOYSA-N 1 0 341.371 1.701 20 5 EDBDRO C[C@@H](CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[N@H+](C)C1CC1 ZINC000183010067 442864138 /nfs/dbraw/zinc/86/41/38/442864138.db2.gz VCKYWOHIARJGEE-MEDUHNTESA-N 1 0 346.387 1.687 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268169320 442882418 /nfs/dbraw/zinc/88/24/18/442882418.db2.gz PQAPTPUKMCJKOV-SMDDNHRTSA-N 1 0 339.417 1.664 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000249004286 442944105 /nfs/dbraw/zinc/94/41/05/442944105.db2.gz ZFGIDCQOJUHPHZ-OLZOCXBDSA-N 1 0 339.392 1.295 20 5 EDBDRO COC(=O)[C@@]1(C)CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000268340104 442954546 /nfs/dbraw/zinc/95/45/46/442954546.db2.gz KWCNKYGJBUXNKU-BBRMVZONSA-N 1 0 338.360 1.220 20 5 EDBDRO COC(=O)c1cc(NC[C@@H]2C[N@H+](C)CCN2C)cc(C)c1[N+](=O)[O-] ZINC000268492270 443008329 /nfs/dbraw/zinc/00/83/29/443008329.db2.gz OURBHPAMATXEHI-CYBMUJFWSA-N 1 0 336.392 1.348 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000184305011 443010106 /nfs/dbraw/zinc/01/01/06/443010106.db2.gz CZUVKHAQYSJGBH-UHTWSYAYSA-N 1 0 325.390 1.261 20 5 EDBDRO Cc1cc(F)c(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000295927004 318652467 /nfs/dbraw/zinc/65/24/67/318652467.db2.gz FQDZZUDFTDHJNR-VIFPVBQESA-N 1 0 326.328 1.047 20 5 EDBDRO C[C@@H]1C[C@H](N(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCN1C ZINC000266185343 443049092 /nfs/dbraw/zinc/04/90/92/443049092.db2.gz ALIKKKORRIQALP-VXGBXAGGSA-N 1 0 341.433 1.917 20 5 EDBDRO C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000296238047 318678399 /nfs/dbraw/zinc/67/83/99/318678399.db2.gz CNRLPFVSPIXJHW-UHIISALHSA-N 1 0 343.405 1.029 20 5 EDBDRO CCC[C@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000296596311 318710628 /nfs/dbraw/zinc/71/06/28/318710628.db2.gz VHDQTLLHJNBWOM-LSDHHAIUSA-N 1 0 342.417 1.575 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000266258855 443076890 /nfs/dbraw/zinc/07/68/90/443076890.db2.gz OPFLBIRBUVVQRQ-UHFFFAOYSA-N 1 0 345.403 1.897 20 5 EDBDRO NC(=O)c1cc([C@@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000266272210 443082085 /nfs/dbraw/zinc/08/20/85/443082085.db2.gz ZPGDZVJQINAMOE-LLVKDONJSA-N 1 0 329.360 1.796 20 5 EDBDRO Cc1c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000184945918 443103817 /nfs/dbraw/zinc/10/38/17/443103817.db2.gz XJUFQWDIQRQTSA-UHTWSYAYSA-N 1 0 348.359 1.929 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](Cc2ccc(F)cc2)C2CC2)c1 ZINC000266389555 443113638 /nfs/dbraw/zinc/11/36/38/443113638.db2.gz CAWHEECVCLLLDN-INIZCTEOSA-N 1 0 334.351 1.956 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](CCO)c1ccco1 ZINC000185065238 443128863 /nfs/dbraw/zinc/12/88/63/443128863.db2.gz DULPJTNNFQLTKC-OLZOCXBDSA-N 1 0 336.344 1.641 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261848253 443171670 /nfs/dbraw/zinc/17/16/70/443171670.db2.gz ZQKIWRRFEIYJRI-WDEREUQCSA-N 1 0 343.405 1.351 20 5 EDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237924822 443188298 /nfs/dbraw/zinc/18/82/98/443188298.db2.gz NICDKOHYFWCMJU-ZDUSSCGKSA-N 1 0 329.360 1.652 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000269095765 443195938 /nfs/dbraw/zinc/19/59/38/443195938.db2.gz NWKZZTYQBYIXHG-CABCVRRESA-N 1 0 345.403 1.623 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+]C1(CO)CCCC1 ZINC000305253542 318928123 /nfs/dbraw/zinc/92/81/23/318928123.db2.gz VVHKJLRVNDDLGF-UHFFFAOYSA-N 1 0 335.360 1.788 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000237191469 443162891 /nfs/dbraw/zinc/16/28/91/443162891.db2.gz ADZHVVBLHDLQCJ-SNVBAGLBSA-N 1 0 329.378 1.024 20 5 EDBDRO Cc1c(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000269210714 443233770 /nfs/dbraw/zinc/23/37/70/443233770.db2.gz NUADXKOGWMLSLH-UFBFGSQYSA-N 1 0 336.348 1.929 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000382470521 319123804 /nfs/dbraw/zinc/12/38/04/319123804.db2.gz BMXFDTVUQPWDTH-ZJUUUORDSA-N 1 0 329.378 1.009 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000411586193 319186399 /nfs/dbraw/zinc/18/63/99/319186399.db2.gz NNPFQGXAJRZGRK-DOMZBBRYSA-N 1 0 346.387 1.313 20 5 EDBDRO COc1cc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)c([N+](=O)[O-])cc1F ZINC000411986336 319218721 /nfs/dbraw/zinc/21/87/21/319218721.db2.gz KJZNQJGCINBIRK-ZWNOBZJWSA-N 1 0 328.340 1.620 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000415822595 319374352 /nfs/dbraw/zinc/37/43/52/319374352.db2.gz MNXYOSBITPDTNP-OAHLLOKOSA-N 1 0 348.403 1.729 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185907256 443280463 /nfs/dbraw/zinc/28/04/63/443280463.db2.gz VJMXHYWNXKOOKY-NWDGAFQWSA-N 1 0 327.406 1.746 20 5 EDBDRO CCC1(CC)[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1OC ZINC000191377558 443286641 /nfs/dbraw/zinc/28/66/41/443286641.db2.gz GJMOLNSWPWFSII-BFHYXJOUSA-N 1 0 326.397 1.336 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272487789 443336049 /nfs/dbraw/zinc/33/60/49/443336049.db2.gz SSRCOBDCVGQYDV-GDBMZVCRSA-N 1 0 332.404 1.873 20 5 EDBDRO C[NH+](C)CCCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000264619412 443349355 /nfs/dbraw/zinc/34/93/55/443349355.db2.gz HROKIMRPDLQURA-UHFFFAOYSA-N 1 0 337.348 1.955 20 5 EDBDRO CCC[NH2+]CCNC(=O)C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000419172103 319566499 /nfs/dbraw/zinc/56/64/99/319566499.db2.gz UIQBGSQCLLYGER-CQSZACIVSA-N 1 0 336.392 1.278 20 5 EDBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCNC1=O ZINC000282485512 443353270 /nfs/dbraw/zinc/35/32/70/443353270.db2.gz VPXYZWYUYFKEAS-AWEZNQCLSA-N 1 0 334.376 1.442 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272566217 443366828 /nfs/dbraw/zinc/36/68/28/443366828.db2.gz FINFSJNNEFFXDI-QMTHXVAHSA-N 1 0 334.332 1.669 20 5 EDBDRO COC(=O)CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(OC)OC ZINC000272729471 443424903 /nfs/dbraw/zinc/42/49/03/443424903.db2.gz BSDNBISOFQHCEB-UHFFFAOYSA-N 1 0 340.376 1.621 20 5 EDBDRO C[C@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000272741675 443428468 /nfs/dbraw/zinc/42/84/68/443428468.db2.gz CVVURTIWHVEYNE-VIFPVBQESA-N 1 0 347.400 1.980 20 5 EDBDRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422927217 319738084 /nfs/dbraw/zinc/73/80/84/319738084.db2.gz YKGCEZNBWCFTKD-CVEARBPZSA-N 1 0 335.404 1.801 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000423104889 319751151 /nfs/dbraw/zinc/75/11/51/319751151.db2.gz QLCBILIYWCCBPL-CHWSQXEVSA-N 1 0 348.403 1.139 20 5 EDBDRO CC1(C)C[C@H]([NH2+]CC(=O)N2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279089929 443512016 /nfs/dbraw/zinc/51/20/16/443512016.db2.gz NGVVLFUEWGZXBI-HNNXBMFYSA-N 1 0 333.388 1.766 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000265185958 443562637 /nfs/dbraw/zinc/56/26/37/443562637.db2.gz HPPMKWVCOLENFI-CYBMUJFWSA-N 1 0 348.403 1.125 20 5 EDBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286184024 443664192 /nfs/dbraw/zinc/66/41/92/443664192.db2.gz VBWTZMCHIGZOFM-SMDDNHRTSA-N 1 0 329.360 1.568 20 5 EDBDRO COC[C@](C)(O)CC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449386325 320186786 /nfs/dbraw/zinc/18/67/86/320186786.db2.gz TUVZSHFYAACBQS-MLGOLLRUSA-N 1 0 339.392 1.689 20 5 EDBDRO CC[C@H](CNS(C)(=O)=O)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000449443818 320191506 /nfs/dbraw/zinc/19/15/06/320191506.db2.gz WBADPXYHMDMQHW-CEFACKQISA-N 1 0 341.433 1.916 20 5 EDBDRO Cc1c(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000454113645 320285424 /nfs/dbraw/zinc/28/54/24/320285424.db2.gz WGXIJRCCIACCDJ-CYBMUJFWSA-N 1 0 348.403 1.783 20 5 EDBDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)C1CC1 ZINC000286249618 443676620 /nfs/dbraw/zinc/67/66/20/443676620.db2.gz ZLOKVGZTLXLDGF-OAHLLOKOSA-N 1 0 343.387 1.958 20 5 EDBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000286366631 443699585 /nfs/dbraw/zinc/69/95/85/443699585.db2.gz GBOLKAGIPUFEJC-UNPMEBSKSA-N 1 0 331.372 1.549 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[NH+](CCCO)CC1 ZINC000286393923 443704463 /nfs/dbraw/zinc/70/44/63/443704463.db2.gz TXYURACFPPHVJN-UHFFFAOYSA-N 1 0 337.376 1.194 20 5 EDBDRO C[N@@H+]1CC[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000290957863 443720781 /nfs/dbraw/zinc/72/07/81/443720781.db2.gz NZSKPYGBSLUETJ-UONOGXRCSA-N 1 0 341.371 1.946 20 5 EDBDRO C/C=C/C[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000519779192 320473507 /nfs/dbraw/zinc/47/35/07/320473507.db2.gz UWZBOZOKPYFJHS-JDGPPOGSSA-N 1 0 328.390 1.285 20 5 EDBDRO CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CC)C(=O)OCC ZINC000276790342 443828576 /nfs/dbraw/zinc/82/85/76/443828576.db2.gz KFLRFPCKXNMSSF-KBPBESRZSA-N 1 0 342.396 1.206 20 5 EDBDRO CNC(=O)[C@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000281175288 443839231 /nfs/dbraw/zinc/83/92/31/443839231.db2.gz QMKKVRPIIMHUIT-BDJLRTHQSA-N 1 0 334.376 1.380 20 5 EDBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000288461413 443888231 /nfs/dbraw/zinc/88/82/31/443888231.db2.gz SNLAPXNJTUEDOJ-LBPRGKRZSA-N 1 0 329.422 1.994 20 5 EDBDRO CC[NH+](CC)C[C@@H]1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000288351899 443852995 /nfs/dbraw/zinc/85/29/95/443852995.db2.gz KGLBCXSLSGZTCW-LBPRGKRZSA-N 1 0 336.392 1.945 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000277143922 443918088 /nfs/dbraw/zinc/91/80/88/443918088.db2.gz QBPPITZCJIIWJT-CYBMUJFWSA-N 1 0 348.403 1.784 20 5 EDBDRO CCN1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000285272993 443920831 /nfs/dbraw/zinc/92/08/31/443920831.db2.gz ITDSGWMRPJZBNO-SNVBAGLBSA-N 1 0 331.369 1.449 20 5 EDBDRO C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](C)O1 ZINC000299346717 444024099 /nfs/dbraw/zinc/02/40/99/444024099.db2.gz VHPLOKAIUKHSNA-FRRDWIJNSA-N 1 0 336.392 1.637 20 5 EDBDRO COc1cc(C(=O)NC(C)(C)CCC[NH3+])cc([N+](=O)[O-])c1OC ZINC000293576311 444059725 /nfs/dbraw/zinc/05/97/25/444059725.db2.gz CVMJLWYOJIKCTH-UHFFFAOYSA-N 1 0 325.365 1.859 20 5 EDBDRO Cc1c(NC(=O)CCN2CC[NH2+]C[C@@H]2C(F)F)cccc1[N+](=O)[O-] ZINC000563149509 321099494 /nfs/dbraw/zinc/09/94/94/321099494.db2.gz JDUQVJJWXNCZSZ-CYBMUJFWSA-N 1 0 342.346 1.771 20 5 EDBDRO CCc1ccc(S(=O)(=O)NCC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000564970018 321161303 /nfs/dbraw/zinc/16/13/03/321161303.db2.gz AVWZEYBUJFVZMW-UHFFFAOYSA-N 1 0 341.433 1.825 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000565540025 321190320 /nfs/dbraw/zinc/19/03/20/321190320.db2.gz YOKHDTWLGUHTMU-CQSZACIVSA-N 1 0 341.433 1.953 20 5 EDBDRO [NH3+]CC[C@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000565646926 321194458 /nfs/dbraw/zinc/19/44/58/321194458.db2.gz NMNFCJOQYYQHJG-NSHDSACASA-N 1 0 332.307 1.255 20 5 EDBDRO C[C@@H]1C[C@@H](Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[N@@H+]1C1CC1 ZINC000569058099 321316045 /nfs/dbraw/zinc/31/60/45/321316045.db2.gz DZNGMLIOBLTHSE-NXEZZACHSA-N 1 0 340.405 1.279 20 5 EDBDRO COCC[C@]1([NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])CCOC1 ZINC000569067987 321316899 /nfs/dbraw/zinc/31/68/99/321316899.db2.gz SATVWVJRYDBMRD-INIZCTEOSA-N 1 0 340.376 1.767 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000299695255 444118412 /nfs/dbraw/zinc/11/84/12/444118412.db2.gz OGOGJRLREJGXSY-UHFFFAOYSA-N 1 0 348.403 1.703 20 5 EDBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2)C1 ZINC000294260102 444107745 /nfs/dbraw/zinc/10/77/45/444107745.db2.gz TTXJXTPASDHTFW-INIZCTEOSA-N 1 0 336.367 1.874 20 5 EDBDRO O=c1nc([C@@H]2CCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)[nH][nH]1 ZINC000289437452 444143669 /nfs/dbraw/zinc/14/36/69/444143669.db2.gz OENBSQIKAWYWEE-LLVKDONJSA-N 1 0 333.348 1.265 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301200265 444153750 /nfs/dbraw/zinc/15/37/50/444153750.db2.gz PYFPANHVZZAIEV-NSHDSACASA-N 1 0 346.391 1.291 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000289490349 444157496 /nfs/dbraw/zinc/15/74/96/444157496.db2.gz IZOAFGWSBNHFPU-GFCCVEGCSA-N 1 0 329.422 1.910 20 5 EDBDRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000301258012 444158492 /nfs/dbraw/zinc/15/84/92/444158492.db2.gz ARDAYSRGLZUTMM-AAEUAGOBSA-N 1 0 343.391 1.685 20 5 EDBDRO CNC(=O)c1ccc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c([N+](=O)[O-])c1 ZINC000301368038 444167591 /nfs/dbraw/zinc/16/75/91/444167591.db2.gz RQCUITDYIBUDJU-SOUVJXGZSA-N 1 0 344.415 1.875 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000299708712 444121766 /nfs/dbraw/zinc/12/17/66/444121766.db2.gz PYRXPUSWYRZCBZ-TZMCWYRMSA-N 1 0 348.403 1.783 20 5 EDBDRO O=c1c(Br)cn(CCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000574569490 321490202 /nfs/dbraw/zinc/49/02/02/321490202.db2.gz SLFGUMRYTLPVMC-UHFFFAOYSA-N 1 0 330.182 1.909 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000289840176 444210010 /nfs/dbraw/zinc/21/00/10/444210010.db2.gz PQAIDAYPQFAFJZ-AWEZNQCLSA-N 1 0 335.408 1.525 20 5 EDBDRO Cc1nn(C)c(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000295350597 444179252 /nfs/dbraw/zinc/17/92/52/444179252.db2.gz FCQBDTFBJJJSBI-ZDUSSCGKSA-N 1 0 337.424 1.877 20 5 EDBDRO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000301555078 444179532 /nfs/dbraw/zinc/17/95/32/444179532.db2.gz NCHSTNZZDUPYOY-LBPRGKRZSA-N 1 0 339.367 1.901 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc3c(n2)CCCC3)c1 ZINC000575916954 321534126 /nfs/dbraw/zinc/53/41/26/321534126.db2.gz CNBPLKWSNICICV-HNNXBMFYSA-N 1 0 331.376 1.216 20 5 EDBDRO COC(=O)COC[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295571562 444189576 /nfs/dbraw/zinc/18/95/76/444189576.db2.gz ZYUGKDXMCQEPRO-SNVBAGLBSA-N 1 0 330.768 1.958 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290174805 444250877 /nfs/dbraw/zinc/25/08/77/444250877.db2.gz PCZMJUAJRNEPML-AWEZNQCLSA-N 1 0 333.388 1.822 20 5 EDBDRO CC(C)(C)c1csc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000576863972 321602801 /nfs/dbraw/zinc/60/28/01/321602801.db2.gz VCWVRBICHSBHNM-NSHDSACASA-N 1 0 339.421 1.696 20 5 EDBDRO Cc1c(CO)cc([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000302826844 444226172 /nfs/dbraw/zinc/22/61/72/444226172.db2.gz AYLGSFPGGRAHJZ-TXEJJXNPSA-N 1 0 336.348 1.302 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000577220958 321634258 /nfs/dbraw/zinc/63/42/58/321634258.db2.gz VZVJVSYLPLBYEU-TXEJJXNPSA-N 1 0 347.371 1.438 20 5 EDBDRO C[C@@H]1CSC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000296582574 444240342 /nfs/dbraw/zinc/24/03/42/444240342.db2.gz WZYSAUWIPMGWHV-MFKMUULPSA-N 1 0 345.446 1.214 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000317255491 444314717 /nfs/dbraw/zinc/31/47/17/444314717.db2.gz PMJOJDGZPBUJMP-YPMHNXCESA-N 1 0 327.406 1.651 20 5 EDBDRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1=O ZINC000577741612 321678583 /nfs/dbraw/zinc/67/85/83/321678583.db2.gz RXBDEJFFOFQYOP-XUJVJEKNSA-N 1 0 346.387 1.522 20 5 EDBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000290594890 444299613 /nfs/dbraw/zinc/29/96/13/444299613.db2.gz DHHHWBOQVONPEG-SNVBAGLBSA-N 1 0 330.410 1.383 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c1C ZINC000323239591 444342188 /nfs/dbraw/zinc/34/21/88/444342188.db2.gz ZXNIFRDZVWIXQL-GXTWGEPZSA-N 1 0 339.417 1.584 20 5 EDBDRO CC[C@@]1(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC[NH2+]1 ZINC000325296105 444364019 /nfs/dbraw/zinc/36/40/19/444364019.db2.gz SNMWJGAWEWUQCR-INIZCTEOSA-N 1 0 333.392 1.171 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[N@H+](C)CC1 ZINC000298108077 444418312 /nfs/dbraw/zinc/41/83/12/444418312.db2.gz OSSDRSJUQOTZQO-UHFFFAOYSA-N 1 0 336.392 1.570 20 5 EDBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000580217582 322025741 /nfs/dbraw/zinc/02/57/41/322025741.db2.gz QBNRIHZWXILSEW-SWLSCSKDSA-N 1 0 343.387 1.958 20 5 EDBDRO C[C@@H](O)C[C@H](C)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000580564270 322068094 /nfs/dbraw/zinc/06/80/94/322068094.db2.gz QMFWKWADSSVNIV-NWDGAFQWSA-N 1 0 330.406 1.365 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)C[C@H]21 ZINC000580946938 322115478 /nfs/dbraw/zinc/11/54/78/322115478.db2.gz NOOFXAVSTXTWFC-MVWJERBFSA-N 1 0 333.344 1.523 20 5 EDBDRO C[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000342124783 444520995 /nfs/dbraw/zinc/52/09/95/444520995.db2.gz VOFVLALXTLPDAM-JTQLQIEISA-N 1 0 336.421 1.647 20 5 EDBDRO CC[N@@H+]1C[C@H](C)N(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000343694039 444524982 /nfs/dbraw/zinc/52/49/82/444524982.db2.gz CBQRSAXBTYJRON-QLFBSQMISA-N 1 0 337.420 1.749 20 5 EDBDRO COC(=O)CC[N@@H+]1CCN(Cc2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000342181321 444551171 /nfs/dbraw/zinc/55/11/71/444551171.db2.gz QKNYPXVECWKTSS-NSHDSACASA-N 1 0 327.406 1.726 20 5 EDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000338357284 444652630 /nfs/dbraw/zinc/65/26/30/444652630.db2.gz YOPMPHJIVXTWLF-AWEZNQCLSA-N 1 0 341.433 1.351 20 5 EDBDRO Cn1cc([C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C)cn1 ZINC000342329990 444634476 /nfs/dbraw/zinc/63/44/76/444634476.db2.gz WLZQDRFZFHQNJG-OAHLLOKOSA-N 1 0 333.392 1.867 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCC[NH2+]C2CC2)c1C ZINC000336849755 444800934 /nfs/dbraw/zinc/80/09/34/444800934.db2.gz ICQKADFNUDCJPO-UHFFFAOYSA-N 1 0 327.406 1.632 20 5 EDBDRO Cn1cc(C[NH2+]C[C@H]2COCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000338716198 444818681 /nfs/dbraw/zinc/81/86/81/444818681.db2.gz NNRKDRRVGFPCSY-HNNXBMFYSA-N 1 0 332.360 1.500 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@@H]1C[C@@H](OC)C[N@H+]1C ZINC000344500478 445014853 /nfs/dbraw/zinc/01/48/53/445014853.db2.gz SRMZVCBDMIBMNJ-QWHCGFSZSA-N 1 0 337.376 1.395 20 5 EDBDRO CO[C@H]1C[C@H](CN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)[N@H+](C)C1 ZINC000344502662 445017817 /nfs/dbraw/zinc/01/78/17/445017817.db2.gz VPUYPXHGKGYORC-KGLIPLIRSA-N 1 0 325.340 1.525 20 5 EDBDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000337290513 445018049 /nfs/dbraw/zinc/01/80/49/445018049.db2.gz OCHHDPOKSQITIY-ZIAGYGMSSA-N 1 0 341.433 1.711 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000342032560 445135146 /nfs/dbraw/zinc/13/51/46/445135146.db2.gz MPMPQPTVIKWSAG-SUMWQHHRSA-N 1 0 346.387 1.489 20 5 EDBDRO C[C@@H]1OCC[C@@H]1[N@H+](CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337456273 445089078 /nfs/dbraw/zinc/08/90/78/445089078.db2.gz HYSFAUSPBRFKSX-JSGCOSHPSA-N 1 0 337.376 1.395 20 5 EDBDRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC(=O)N1C ZINC000343445353 445224027 /nfs/dbraw/zinc/22/40/27/445224027.db2.gz DMFOHOBZSKEKMN-BBRMVZONSA-N 1 0 329.360 1.390 20 5 EDBDRO C[C@H]1[C@H](NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCC[N@@H+]1C ZINC000343561597 445244499 /nfs/dbraw/zinc/24/44/99/445244499.db2.gz QHIJLJZDTIKIFY-CMPLNLGQSA-N 1 0 348.359 1.102 20 5 EDBDRO CC(=O)N1CCC([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000354623589 445319097 /nfs/dbraw/zinc/31/90/97/445319097.db2.gz QECCGTFERCTVLR-NSHDSACASA-N 1 0 334.376 1.522 20 5 EDBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000348168085 445299722 /nfs/dbraw/zinc/29/97/22/445299722.db2.gz LJOZDEINXKAYFR-GFCCVEGCSA-N 1 0 333.392 1.257 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000351897616 445361686 /nfs/dbraw/zinc/36/16/86/445361686.db2.gz MGTPPMIJYVNNGW-LLVKDONJSA-N 1 0 329.422 1.830 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c1 ZINC000351902346 445364572 /nfs/dbraw/zinc/36/45/72/445364572.db2.gz IOWIHUXADLFYJC-RISCZKNCSA-N 1 0 341.433 1.782 20 5 EDBDRO COc1ccc(NC(=O)CCN2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000357065263 445404328 /nfs/dbraw/zinc/40/43/28/445404328.db2.gz AAYPFDSFCPFQTJ-QWHCGFSZSA-N 1 0 348.403 1.473 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357092361 445424124 /nfs/dbraw/zinc/42/41/24/445424124.db2.gz USUPJQTXVFCKGR-OLZOCXBDSA-N 1 0 348.403 1.473 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000362598050 445456625 /nfs/dbraw/zinc/45/66/25/445456625.db2.gz GBEPYOBSBUPYMV-CYBMUJFWSA-N 1 0 349.387 1.461 20 5 EDBDRO Cc1c(CC(=O)N2CC[C@@H]([N@H+](C)CCO)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000356089197 445613372 /nfs/dbraw/zinc/61/33/72/445613372.db2.gz UGJPYSLMXOFVTG-XJKSGUPXSA-N 1 0 335.404 1.359 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349674203 445643472 /nfs/dbraw/zinc/64/34/72/445643472.db2.gz YEULZSLFXVCQFP-OAHLLOKOSA-N 1 0 348.403 1.982 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C)c1[N+](=O)[O-] ZINC000356209609 445677521 /nfs/dbraw/zinc/67/75/21/445677521.db2.gz DDTIKKFHRODRST-QGZVFWFLSA-N 1 0 349.435 1.743 20 5 EDBDRO CNC(=O)C(C)(C)CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353618572 445678741 /nfs/dbraw/zinc/67/87/41/445678741.db2.gz GRGXCGJKRHVOIW-AWEZNQCLSA-N 1 0 345.403 1.780 20 5 EDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000363105222 445680042 /nfs/dbraw/zinc/68/00/42/445680042.db2.gz ULSHIOZNUBBIKR-NWDGAFQWSA-N 1 0 345.359 1.064 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363154567 445699561 /nfs/dbraw/zinc/69/95/61/445699561.db2.gz SWHBRGMNXFLMQO-OLZOCXBDSA-N 1 0 335.360 1.196 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]CC(C)(C)OC)cc1[N+](=O)[O-] ZINC000353767278 445745429 /nfs/dbraw/zinc/74/54/29/445745429.db2.gz LSTNNLNFSPYAAG-UHFFFAOYSA-N 1 0 326.349 1.661 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]C[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000353767800 445745980 /nfs/dbraw/zinc/74/59/80/445745980.db2.gz MVYKTLDMKDYWBX-ZDUSSCGKSA-N 1 0 326.349 1.253 20 5 EDBDRO COC(=O)COc1ccc(CNC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000353790655 445757849 /nfs/dbraw/zinc/75/78/49/445757849.db2.gz QDTKFWYHMPYZBQ-UHFFFAOYSA-N 1 0 337.376 1.330 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000363660913 445865515 /nfs/dbraw/zinc/86/55/15/445865515.db2.gz OWLDCTZVFPWBFC-INIZCTEOSA-N 1 0 346.431 1.755 20 5 EDBDRO CCC[C@@H]1C[NH2+]CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000359046976 445909217 /nfs/dbraw/zinc/90/92/17/445909217.db2.gz YZKLBIREOKABJD-OAHLLOKOSA-N 1 0 332.404 1.558 20 5 EDBDRO [NH3+]CCC1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000582365044 325831385 /nfs/dbraw/zinc/83/13/85/325831385.db2.gz FMSWMAOAUFTATI-UHFFFAOYSA-N 1 0 347.824 1.998 20 5 EDBDRO Cc1cc(N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000364381098 445916044 /nfs/dbraw/zinc/91/60/44/445916044.db2.gz IXYPNGSMEJCGIU-AWEZNQCLSA-N 1 0 333.436 1.903 20 5 EDBDRO CCOC(=O)C1(COC)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000369166748 445966005 /nfs/dbraw/zinc/96/60/05/445966005.db2.gz RSEHNRKWVPLXML-UHFFFAOYSA-N 1 0 340.380 1.083 20 5 EDBDRO Cc1ccn(C2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)n1 ZINC000365131829 446045588 /nfs/dbraw/zinc/04/55/88/446045588.db2.gz AXZCZZBSAFEXDV-UHFFFAOYSA-N 1 0 331.376 1.599 20 5 EDBDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000369282349 446046358 /nfs/dbraw/zinc/04/63/58/446046358.db2.gz GPTJTRQJQLDUFE-ZIAGYGMSSA-N 1 0 334.380 1.113 20 5 EDBDRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351188013 446006293 /nfs/dbraw/zinc/00/62/93/446006293.db2.gz XKGYTAKFSSXJSH-UHFFFAOYSA-N 1 0 326.328 1.129 20 5 EDBDRO C[NH+]1CCN(C[C@H]2CN(c3ccc(F)cc3[N+](=O)[O-])CCO2)CC1 ZINC000365148132 446054253 /nfs/dbraw/zinc/05/42/53/446054253.db2.gz ZXPQEPBOMMXQRW-AWEZNQCLSA-N 1 0 338.383 1.187 20 5 EDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000583677946 326115400 /nfs/dbraw/zinc/11/54/00/326115400.db2.gz BTURBTWSIWBDTM-ZYHUDNBSSA-N 1 0 335.360 1.247 20 5 EDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000583701367 326122298 /nfs/dbraw/zinc/12/22/98/326122298.db2.gz MQCVYNJKWTUHIS-VHSXEESVSA-N 1 0 330.344 1.800 20 5 EDBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000584006245 326183890 /nfs/dbraw/zinc/18/38/90/326183890.db2.gz FCCJKHZYNPYXDJ-UHFFFAOYSA-N 1 0 331.376 1.830 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351477896 446078465 /nfs/dbraw/zinc/07/84/65/446078465.db2.gz ODZZDBJDNNKKPJ-UHTWSYAYSA-N 1 0 334.376 1.211 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351477899 446078819 /nfs/dbraw/zinc/07/88/19/446078819.db2.gz ODZZDBJDNNKKPJ-WCFLWFBJSA-N 1 0 334.376 1.211 20 5 EDBDRO Cc1c(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000366200414 446080586 /nfs/dbraw/zinc/08/05/86/446080586.db2.gz YWNIDZUTVRDBKG-CQSZACIVSA-N 1 0 333.388 1.886 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359305577 446138026 /nfs/dbraw/zinc/13/80/26/446138026.db2.gz LNZYAPNGLQQAHP-UTUOFQBUSA-N 1 0 334.376 1.082 20 5 EDBDRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351490401 446092823 /nfs/dbraw/zinc/09/28/23/446092823.db2.gz DUUARRNAVZVDPL-UHFFFAOYSA-N 1 0 340.355 1.521 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc([N+](=O)[O-])c1 ZINC000365363083 446169343 /nfs/dbraw/zinc/16/93/43/446169343.db2.gz WBWNXTNLHJFFTN-ABAIWWIYSA-N 1 0 347.371 1.596 20 5 EDBDRO CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000362016257 446154493 /nfs/dbraw/zinc/15/44/93/446154493.db2.gz PKNJFHMSRLDALP-GDBMZVCRSA-N 1 0 349.387 1.268 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000362075654 446196857 /nfs/dbraw/zinc/19/68/57/446196857.db2.gz JDFCGFHMWDVUHV-NWDGAFQWSA-N 1 0 337.376 1.492 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000370372891 446251579 /nfs/dbraw/zinc/25/15/79/446251579.db2.gz FTWROJNSXDNLGK-QGZVFWFLSA-N 1 0 346.431 1.690 20 5 EDBDRO COc1cc(OCC(=O)N[C@@H]2CC23CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000366554209 446260514 /nfs/dbraw/zinc/26/05/14/446260514.db2.gz JOLLNDHOOZATQX-CQSZACIVSA-N 1 0 335.360 1.241 20 5 EDBDRO CN1CCC[C@@]2(CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1=O ZINC000370402803 446263089 /nfs/dbraw/zinc/26/30/89/446263089.db2.gz BTIHAJUFPHEMMT-KRWDZBQOSA-N 1 0 346.387 1.138 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@](O)(C4CC4)C3)n2)cc1 ZINC000365851278 446370285 /nfs/dbraw/zinc/37/02/85/446370285.db2.gz VCQMGCJFCIWRIV-INIZCTEOSA-N 1 0 330.344 1.992 20 5 EDBDRO CNC(=O)CN1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000365898513 446394371 /nfs/dbraw/zinc/39/43/71/446394371.db2.gz ZYTLQWNKNGRYNC-UHFFFAOYSA-N 1 0 343.387 1.401 20 5 EDBDRO Cc1cnc(NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000420248978 446431730 /nfs/dbraw/zinc/43/17/30/446431730.db2.gz WXKBHEQQXJINQE-LLVKDONJSA-N 1 0 333.314 1.546 20 5 EDBDRO C[NH2+]CC1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000418083968 446435986 /nfs/dbraw/zinc/43/59/86/446435986.db2.gz OBJAJJSAPHJKFP-UHFFFAOYSA-N 1 0 346.391 1.612 20 5 EDBDRO Cc1c(CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)cccc1[N+](=O)[O-] ZINC000418084104 446436000 /nfs/dbraw/zinc/43/60/00/446436000.db2.gz UXMZERODNPPULJ-LBPRGKRZSA-N 1 0 328.319 1.700 20 5 EDBDRO CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000420266642 446440475 /nfs/dbraw/zinc/44/04/75/446440475.db2.gz DNBPHSNYYQEDMK-UHFFFAOYSA-N 1 0 327.406 1.052 20 5 EDBDRO C[NH+]1CCN(C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)CCO2)CC1 ZINC000370786870 446441076 /nfs/dbraw/zinc/44/10/76/446441076.db2.gz FAGINYYLNUYVLB-KRWDZBQOSA-N 1 0 334.420 1.043 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000411401346 446521695 /nfs/dbraw/zinc/52/16/95/446521695.db2.gz XCWRWUIVXHGRPM-CYBMUJFWSA-N 1 0 348.403 1.703 20 5 EDBDRO COc1ccc(NC(=O)CCN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000420347778 446522895 /nfs/dbraw/zinc/52/28/95/446522895.db2.gz IJBYRXBTWHAPIL-BETUJISGSA-N 1 0 348.403 1.758 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000375041453 446535353 /nfs/dbraw/zinc/53/53/53/446535353.db2.gz QJNBUUVVAWARIF-XJKSGUPXSA-N 1 0 332.404 1.949 20 5 EDBDRO COC1([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000453125043 446546400 /nfs/dbraw/zinc/54/64/00/446546400.db2.gz SRZWQDBKSCJCKP-LBPRGKRZSA-N 1 0 337.376 1.707 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc([N+](=O)[O-])c1 ZINC000423632700 446617853 /nfs/dbraw/zinc/61/78/53/446617853.db2.gz KEJWUYKTTFSODR-ZIBATOQPSA-N 1 0 349.387 1.888 20 5 EDBDRO C[C@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000420408590 446581591 /nfs/dbraw/zinc/58/15/91/446581591.db2.gz PRIWVKCLTNHURJ-STQMWFEESA-N 1 0 341.433 1.285 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000423576219 446583940 /nfs/dbraw/zinc/58/39/40/446583940.db2.gz ZXSKBOXIYVABKS-HZMBPMFUSA-N 1 0 335.360 1.499 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000423602971 446597920 /nfs/dbraw/zinc/59/79/20/446597920.db2.gz HRRKEAVKDWXFIZ-JSGCOSHPSA-N 1 0 348.403 1.302 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418596240 446608490 /nfs/dbraw/zinc/60/84/90/446608490.db2.gz OQMYMBASBNAYDY-UONOGXRCSA-N 1 0 347.419 1.424 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000420460639 446639711 /nfs/dbraw/zinc/63/97/11/446639711.db2.gz LHNLXUPMTUIMAP-VIFPVBQESA-N 1 0 337.348 1.472 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000420460510 446639831 /nfs/dbraw/zinc/63/98/31/446639831.db2.gz SLQFSMZDUSXEFE-NEPJUHHUSA-N 1 0 327.406 1.617 20 5 EDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418671296 446642907 /nfs/dbraw/zinc/64/29/07/446642907.db2.gz MEHNFRKOKRQARL-ZSHCYNCHSA-N 1 0 346.387 1.365 20 5 EDBDRO [NH3+][C@H]1CCC[C@@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000420473793 446648469 /nfs/dbraw/zinc/64/84/69/446648469.db2.gz VAKODBBPTDLNBY-OLZOCXBDSA-N 1 0 327.406 1.532 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N(C)C2(C[NH3+])CCC2)cc([N+](=O)[O-])c1 ZINC000423708302 446651966 /nfs/dbraw/zinc/65/19/66/446651966.db2.gz UWVKLEUQXBOFSF-UHFFFAOYSA-N 1 0 335.360 1.725 20 5 EDBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000420587610 446691908 /nfs/dbraw/zinc/69/19/08/446691908.db2.gz QBMFXRONLGRHGO-UHFFFAOYSA-N 1 0 348.403 1.242 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CNc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420590609 446694137 /nfs/dbraw/zinc/69/41/37/446694137.db2.gz VXTYSVUHJPXJME-LBPRGKRZSA-N 1 0 335.408 1.132 20 5 EDBDRO C[C@@H](NC(=O)C(=O)NCCC1=CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000418776752 446695406 /nfs/dbraw/zinc/69/54/06/446695406.db2.gz GRTWXGOJAPVXQJ-GFCCVEGCSA-N 1 0 346.387 1.198 20 5 EDBDRO CC[NH+]1CCC(N2CCCN(c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000420622552 446708135 /nfs/dbraw/zinc/70/81/35/446708135.db2.gz GASXPBNBDWJNGW-UHFFFAOYSA-N 1 0 333.436 1.986 20 5 EDBDRO Cc1ccccc1[C@H]([NH3+])C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423828433 446717189 /nfs/dbraw/zinc/71/71/89/446717189.db2.gz QCANNFKFNYUAMD-INIZCTEOSA-N 1 0 326.356 1.883 20 5 EDBDRO [NH3+]C[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000423829315 446717244 /nfs/dbraw/zinc/71/72/44/446717244.db2.gz RSONPSDWURMZQC-OAHLLOKOSA-N 1 0 343.387 1.697 20 5 EDBDRO C[C@]([NH3+])(C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000423831166 446719851 /nfs/dbraw/zinc/71/98/51/446719851.db2.gz VLBPHTLSKSNCTD-QGZVFWFLSA-N 1 0 343.387 1.829 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371283804 446740595 /nfs/dbraw/zinc/74/05/95/446740595.db2.gz LVEXRKFAKIBRMD-KBMXLJTQSA-N 1 0 332.404 1.173 20 5 EDBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](C[C@H](O)COc3ccccc3)C2)c1 ZINC000375389431 446765264 /nfs/dbraw/zinc/76/52/64/446765264.db2.gz GKTZAUQHJGWDKD-HOCLYGCPSA-N 1 0 346.387 1.868 20 5 EDBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000424001028 446816230 /nfs/dbraw/zinc/81/62/30/446816230.db2.gz MLLSELXKHZNPRQ-QAPCUYQASA-N 1 0 347.415 1.882 20 5 EDBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000424000670 446816297 /nfs/dbraw/zinc/81/62/97/446816297.db2.gz MHIWPOFSJGBKPX-SJLPKXTDSA-N 1 0 347.415 1.882 20 5 EDBDRO O=C(NCC1CC[NH+](CCc2ccccc2)CC1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000371503072 446896075 /nfs/dbraw/zinc/89/60/75/446896075.db2.gz ZALDPQNWQAWELF-IRXDYDNUSA-N 1 0 331.416 1.723 20 5 EDBDRO C[C@H]1C[C@H](CO)C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000420948026 446920797 /nfs/dbraw/zinc/92/07/97/446920797.db2.gz ULZHOSBJUHOALF-STQMWFEESA-N 1 0 349.387 1.843 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000421007435 446981318 /nfs/dbraw/zinc/98/13/18/446981318.db2.gz HLPOESVCTTUYAN-AAEUAGOBSA-N 1 0 337.376 1.777 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2Cn2cccn2)c([N+](=O)[O-])c1 ZINC000368688150 447038859 /nfs/dbraw/zinc/03/88/59/447038859.db2.gz HSUXNAMTUGSPFS-HNNXBMFYSA-N 1 0 343.387 1.945 20 5 EDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000421705169 447225051 /nfs/dbraw/zinc/22/50/51/447225051.db2.gz QRQQNIWEOGEQQV-HNNXBMFYSA-N 1 0 343.387 1.947 20 5 EDBDRO CC(C)(O)C[N@@H+]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000368962606 447228346 /nfs/dbraw/zinc/22/83/46/447228346.db2.gz BGFYGVQMMIQYSH-UHFFFAOYSA-N 1 0 334.420 1.846 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000447915549 447297622 /nfs/dbraw/zinc/29/76/22/447297622.db2.gz NBCQDAHXDHCKOU-CABCVRRESA-N 1 0 337.376 1.361 20 5 EDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2(N3CCOCC3)CC2)n1 ZINC000447598534 447280467 /nfs/dbraw/zinc/28/04/67/447280467.db2.gz VLEXUQMGJDEVSR-CABCVRRESA-N 1 0 349.435 1.729 20 5 EDBDRO Cc1nc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)ncc1[N+](=O)[O-] ZINC000450395830 447476748 /nfs/dbraw/zinc/47/67/48/447476748.db2.gz SHPVJWJEZOXRCM-HIFRSBDPSA-N 1 0 335.408 1.873 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000415509134 447487864 /nfs/dbraw/zinc/48/78/64/447487864.db2.gz VWKVFMXQZNVBSH-UHFFFAOYSA-N 1 0 337.380 1.020 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000416429258 447598827 /nfs/dbraw/zinc/59/88/27/447598827.db2.gz XWJIGVVLFNSIGG-TZMCWYRMSA-N 1 0 341.433 1.782 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000420186467 447660428 /nfs/dbraw/zinc/66/04/28/447660428.db2.gz KYIAIJUKTXGTJN-LBPRGKRZSA-N 1 0 343.387 1.605 20 5 EDBDRO O=C(c1ccc(N[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000420188915 447661880 /nfs/dbraw/zinc/66/18/80/447661880.db2.gz TYIIHDGASLAAFK-ZDUSSCGKSA-N 1 0 334.376 1.231 20 5 EDBDRO C[C@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000451081371 447673038 /nfs/dbraw/zinc/67/30/38/447673038.db2.gz KREWHLSQUXREFN-WMLDXEAASA-N 1 0 349.431 1.751 20 5 EDBDRO COc1cc(CCNC(=O)NC[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000416927981 447712063 /nfs/dbraw/zinc/71/20/63/447712063.db2.gz WZIRWGKKCITPEV-JTQLQIEISA-N 1 0 340.380 1.049 20 5 EDBDRO COc1cc(CCNC(=O)N[C@H](C)CC[NH3+])c([N+](=O)[O-])cc1OC ZINC000416929123 447712606 /nfs/dbraw/zinc/71/26/06/447712606.db2.gz ZNNSWZHVYJLVDF-SNVBAGLBSA-N 1 0 340.380 1.191 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1[NH3+] ZINC000429130024 447729201 /nfs/dbraw/zinc/72/92/01/447729201.db2.gz BRUVIDYXWSEAGA-BXUZGUMPSA-N 1 0 329.360 1.590 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000429154658 447731499 /nfs/dbraw/zinc/73/14/99/447731499.db2.gz LRBYGCPBDLNKGI-RYUDHWBXSA-N 1 0 349.387 1.494 20 5 EDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000422769203 447745483 /nfs/dbraw/zinc/74/54/83/447745483.db2.gz VEWFAZLDIIPXGS-CYBMUJFWSA-N 1 0 348.403 1.161 20 5 EDBDRO CC1(C)CCC[N@@H+]1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000452079591 447811809 /nfs/dbraw/zinc/81/18/09/447811809.db2.gz ADVZUNGTSSFGSS-UHFFFAOYSA-N 1 0 327.406 1.748 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[NH2+]C(C)(C)C ZINC000488608328 447849002 /nfs/dbraw/zinc/84/90/02/447849002.db2.gz JYKFCTYEXCDQJR-LLVKDONJSA-N 1 0 340.428 1.332 20 5 EDBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488723999 447849739 /nfs/dbraw/zinc/84/97/39/447849739.db2.gz BMPSQMWDDUYKJS-LALPHHSUSA-N 1 0 332.404 1.860 20 5 EDBDRO NC(=O)[C@H]1CCCN1CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575815226 447905327 /nfs/dbraw/zinc/90/53/27/447905327.db2.gz DZTLRRKWCRIVQJ-GDBMZVCRSA-N 1 0 332.404 1.512 20 5 EDBDRO O=C1C[C@@H]([NH2+]C2(CO)CCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000570104528 447947576 /nfs/dbraw/zinc/94/75/76/447947576.db2.gz KXIVVQNVUOXZSH-CYBMUJFWSA-N 1 0 333.344 1.121 20 5 EDBDRO CNc1nccc(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000576050464 447959655 /nfs/dbraw/zinc/95/96/55/447959655.db2.gz HVTGFJKJHPMZBH-PXAZEXFGSA-N 1 0 349.435 2.272 20 5 EDBDRO COc1cc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000525291533 447988455 /nfs/dbraw/zinc/98/84/55/447988455.db2.gz IIWAYDMXHDBRHK-NSHDSACASA-N 1 0 337.376 1.684 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000576177537 447991257 /nfs/dbraw/zinc/99/12/57/447991257.db2.gz WVWFSLKTBDZJPH-NSHDSACASA-N 1 0 345.396 1.839 20 5 EDBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)n(C2CC[NH+](C)CC2)n1 ZINC000531187310 448035976 /nfs/dbraw/zinc/03/59/76/448035976.db2.gz OSANQZVGGXZETQ-UHFFFAOYSA-N 1 0 346.391 1.957 20 5 EDBDRO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000570450945 448017343 /nfs/dbraw/zinc/01/73/43/448017343.db2.gz WDAYUYPACRIBIK-MGCOHNPYSA-N 1 0 333.435 1.700 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000576713409 448122667 /nfs/dbraw/zinc/12/26/67/448122667.db2.gz DTQLYECKXARNES-LBPRGKRZSA-N 1 0 349.387 1.921 20 5 EDBDRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000576839547 448152717 /nfs/dbraw/zinc/15/27/17/448152717.db2.gz LRZQKZDDXTVFCY-LLVKDONJSA-N 1 0 334.376 1.300 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000531821407 448153939 /nfs/dbraw/zinc/15/39/39/448153939.db2.gz KHUOTFVGOZEXPP-QMTHXVAHSA-N 1 0 347.371 1.579 20 5 EDBDRO CNc1nccc(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000561182075 448233020 /nfs/dbraw/zinc/23/30/20/448233020.db2.gz HGQHYNRSGDTVQW-XQQFMLRXSA-N 1 0 349.435 2.128 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)c1[N+](=O)[O-] ZINC000577645825 448351191 /nfs/dbraw/zinc/35/11/91/448351191.db2.gz SDCOTNGTQMJNMJ-RYUDHWBXSA-N 1 0 327.406 1.712 20 5 EDBDRO CC[C@@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000591351691 448336576 /nfs/dbraw/zinc/33/65/76/448336576.db2.gz WHOFPICVNFKJNU-DOMZBBRYSA-N 1 0 336.392 1.742 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000565888711 448382477 /nfs/dbraw/zinc/38/24/77/448382477.db2.gz BZPGTEGTQDVEMY-STQMWFEESA-N 1 0 329.360 2.312 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(-n3cccn3)cc2)c1 ZINC000516275331 448406943 /nfs/dbraw/zinc/40/69/43/448406943.db2.gz KWMXVNBSABFLIX-INIZCTEOSA-N 1 0 342.359 1.128 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000516554047 448436600 /nfs/dbraw/zinc/43/66/00/448436600.db2.gz MQBIYLQPDZPRGB-NILFDRSVSA-N 1 0 334.376 1.352 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000591735092 448476285 /nfs/dbraw/zinc/47/62/85/448476285.db2.gz RLTNSIAKWCXBBE-CABCVRRESA-N 1 0 335.404 1.408 20 5 EDBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000584395256 448508068 /nfs/dbraw/zinc/50/80/68/448508068.db2.gz TUCPBLJAWGMLOQ-UHFFFAOYSA-N 1 0 335.360 1.928 20 5 EDBDRO Cc1nn(CCC(=O)N[C@H](CC[NH3+])C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000584585755 448578323 /nfs/dbraw/zinc/57/83/23/448578323.db2.gz VRAJKPCSQJZCDV-SECBINFHSA-N 1 0 337.302 1.194 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccnc(NC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000573385257 448614019 /nfs/dbraw/zinc/61/40/19/448614019.db2.gz SQGYLKADNIRZGS-YPMHNXCESA-N 1 0 335.408 1.834 20 5 EDBDRO O=C(CC[NH2+]CC1(CO)CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000573324004 448599577 /nfs/dbraw/zinc/59/95/77/448599577.db2.gz AWNXOHOSFINLCU-UHFFFAOYSA-N 1 0 337.376 1.302 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000585703650 448742850 /nfs/dbraw/zinc/74/28/50/448742850.db2.gz TVUDFFITBRCOQI-UHFFFAOYSA-N 1 0 334.376 1.617 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000592307341 448784367 /nfs/dbraw/zinc/78/43/67/448784367.db2.gz FVPPIMDKPXHDKT-PRHODGIISA-N 1 0 347.293 1.802 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000592307890 448784504 /nfs/dbraw/zinc/78/45/04/448784504.db2.gz KHUWOGXRYVSJRF-MLGOLLRUSA-N 1 0 348.403 1.383 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@H]2CCC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000592330259 448794180 /nfs/dbraw/zinc/79/41/80/448794180.db2.gz LWVQUSIKPWHGSJ-ZDUSSCGKSA-N 1 0 335.360 1.643 20 5 EDBDRO C[C@@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000592341108 448798303 /nfs/dbraw/zinc/79/83/03/448798303.db2.gz QFHGYPSJCWHSML-YPMHNXCESA-N 1 0 344.375 1.232 20 5 EDBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000592387273 448817864 /nfs/dbraw/zinc/81/78/64/448817864.db2.gz DSIPWKTTWUFSQT-ZDUSSCGKSA-N 1 0 327.406 1.199 20 5 EDBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000592389975 448819356 /nfs/dbraw/zinc/81/93/56/448819356.db2.gz CZULNWFRJLWEFA-CQSZACIVSA-N 1 0 339.417 1.199 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1ncn(C)n1 ZINC000592394662 448822114 /nfs/dbraw/zinc/82/21/14/448822114.db2.gz QCHOXHFHCHZMEC-GFCCVEGCSA-N 1 0 346.391 1.663 20 5 EDBDRO CSC[C@@H](CCO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592431178 448832722 /nfs/dbraw/zinc/83/27/22/448832722.db2.gz VNILUKDGQPNEMN-LLVKDONJSA-N 1 0 348.446 1.072 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000592487690 448858031 /nfs/dbraw/zinc/85/80/31/448858031.db2.gz YATYXFOYTSHGIP-JQWIXIFHSA-N 1 0 340.355 1.174 20 5 EDBDRO CC[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH3+] ZINC000592487903 448858191 /nfs/dbraw/zinc/85/81/91/448858191.db2.gz BQMFLSOQXBINRR-SWLSCSKDSA-N 1 0 332.404 1.543 20 5 EDBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000592553598 448896914 /nfs/dbraw/zinc/89/69/14/448896914.db2.gz QKGNBFTYSSZJFJ-GFCCVEGCSA-N 1 0 347.327 1.318 20 5 EDBDRO CC1(OCC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C[NH2+]C1 ZINC000592537860 448887687 /nfs/dbraw/zinc/88/76/87/448887687.db2.gz HSOKOWQHAUUVKE-UHFFFAOYSA-N 1 0 349.387 1.343 20 5 EDBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000592549491 448892195 /nfs/dbraw/zinc/89/21/95/448892195.db2.gz WRUXOMOKRZQXGB-GFCCVEGCSA-N 1 0 341.751 1.225 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c1 ZINC000568984075 448949031 /nfs/dbraw/zinc/94/90/31/448949031.db2.gz OMKLWPAUDLNGHV-BNOWGMLFSA-N 1 0 346.330 1.473 20 5 EDBDRO CCOc1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000574757878 448949594 /nfs/dbraw/zinc/94/95/94/448949594.db2.gz LQPDNAYMYANFKO-ZJUUUORDSA-N 1 0 325.365 1.858 20 5 EDBDRO C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC[N@@H+](C2CCC2)C1 ZINC000589877325 449071581 /nfs/dbraw/zinc/07/15/81/449071581.db2.gz SNKSDUVRCLAMKS-GFCCVEGCSA-N 1 0 334.420 1.980 20 5 EDBDRO Cc1nn(CCC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000597858177 449126371 /nfs/dbraw/zinc/12/63/71/449126371.db2.gz LKPOSSHLZZNWCW-ZDUSSCGKSA-N 1 0 337.424 1.787 20 5 EDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1ccn(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000590335697 449133845 /nfs/dbraw/zinc/13/38/45/449133845.db2.gz VBZCEVWJZLNHQJ-UHFFFAOYSA-N 1 0 341.371 1.558 20 5 EDBDRO COC(=O)COc1ccc(CN2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590052458 449100480 /nfs/dbraw/zinc/10/04/80/449100480.db2.gz CEYNCZOROVQLPJ-HIFRSBDPSA-N 1 0 349.387 1.283 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000590352508 449136030 /nfs/dbraw/zinc/13/60/30/449136030.db2.gz OCBKBUVUYOXPPL-AWEZNQCLSA-N 1 0 348.403 1.625 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593605692 449103410 /nfs/dbraw/zinc/10/34/10/449103410.db2.gz JOUXDDGGJCZYDS-NSHDSACASA-N 1 0 328.394 1.000 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000590140626 449111785 /nfs/dbraw/zinc/11/17/85/449111785.db2.gz OLKVEHYTODWMRL-INIZCTEOSA-N 1 0 348.447 1.815 20 5 EDBDRO C[C@H]1COC2(CCC2)C[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595675573 449113811 /nfs/dbraw/zinc/11/38/11/449113811.db2.gz OZSXDNKDXFPFJT-DZGCQCFKSA-N 1 0 336.388 1.978 20 5 EDBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2C[C@@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000595779267 449160778 /nfs/dbraw/zinc/16/07/78/449160778.db2.gz BNGZAQFOTQSIOT-HUUCEWRRSA-N 1 0 349.387 1.825 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000590440825 449163034 /nfs/dbraw/zinc/16/30/34/449163034.db2.gz CCUCNADQXPYDIZ-SMDDNHRTSA-N 1 0 335.360 1.145 20 5 EDBDRO CCO[C@@H]1CN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000593737075 449171903 /nfs/dbraw/zinc/17/19/03/449171903.db2.gz LGTXXIIKNIQWGQ-LALPHHSUSA-N 1 0 336.392 1.217 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000593733347 449167678 /nfs/dbraw/zinc/16/76/78/449167678.db2.gz SSEKLPOHGGHYBL-UHFFFAOYSA-N 1 0 327.406 1.571 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590446453 449167993 /nfs/dbraw/zinc/16/79/93/449167993.db2.gz TZJDZZMEVKLMLZ-CZUORRHYSA-N 1 0 332.404 1.949 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000590399613 449147706 /nfs/dbraw/zinc/14/77/06/449147706.db2.gz KYLYWUNCRZSOAO-HUUCEWRRSA-N 1 0 337.351 1.669 20 5 EDBDRO CCO[C@@H]1CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593736780 449170911 /nfs/dbraw/zinc/17/09/11/449170911.db2.gz IIBAFKNUXKXSSY-LALPHHSUSA-N 1 0 336.392 1.217 20 5 EDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593735993 449171113 /nfs/dbraw/zinc/17/11/13/449171113.db2.gz DAKISQWZSIROCZ-DCGLDWPTSA-N 1 0 332.404 1.983 20 5 EDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000590587878 449203528 /nfs/dbraw/zinc/20/35/28/449203528.db2.gz BPDLSSTXXMHHHF-SMDDNHRTSA-N 1 0 327.406 1.449 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000590590191 449205551 /nfs/dbraw/zinc/20/55/51/449205551.db2.gz VKGVXLSMMGBDEG-WCQYABFASA-N 1 0 327.406 1.616 20 5 EDBDRO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3nn(C)cc3[N+](=O)[O-])C2)c1 ZINC000601851638 449183916 /nfs/dbraw/zinc/18/39/16/449183916.db2.gz UZHCQSKOYQFLRD-CQSZACIVSA-N 1 0 343.387 1.641 20 5 EDBDRO C[C@H](CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)[NH+](C)C ZINC000600092720 449184589 /nfs/dbraw/zinc/18/45/89/449184589.db2.gz WWARIGKCKQAAMW-LLVKDONJSA-N 1 0 349.366 1.990 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595826976 449190661 /nfs/dbraw/zinc/19/06/61/449190661.db2.gz BOHXKEODRKYKHV-QWHCGFSZSA-N 1 0 349.387 1.900 20 5 EDBDRO Cc1ccc(NC(=O)c2cnnn2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000595925185 449256664 /nfs/dbraw/zinc/25/66/64/449256664.db2.gz XDIUWSLTGPKMRX-UHFFFAOYSA-N 1 0 330.348 1.672 20 5 EDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000590752927 449273872 /nfs/dbraw/zinc/27/38/72/449273872.db2.gz VNBJXJUAGBAKES-KGLIPLIRSA-N 1 0 347.371 1.415 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000593904113 449274067 /nfs/dbraw/zinc/27/40/67/449274067.db2.gz KOBLBQZKWSONFD-AWEZNQCLSA-N 1 0 329.360 1.321 20 5 EDBDRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000595948529 449273958 /nfs/dbraw/zinc/27/39/58/449273958.db2.gz RFZGYVFCUVYNLJ-UHFFFAOYSA-N 1 0 348.403 1.315 20 5 EDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000590752867 449274237 /nfs/dbraw/zinc/27/42/37/449274237.db2.gz UPSUGMRETRJEPF-KGLIPLIRSA-N 1 0 347.371 1.415 20 5 EDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000590753042 449274247 /nfs/dbraw/zinc/27/42/47/449274247.db2.gz ZGHLKTXSUVBPMI-GDLCADMTSA-N 1 0 335.360 1.853 20 5 EDBDRO Cc1[nH]nc(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)c1[N+](=O)[O-] ZINC000595943818 449270192 /nfs/dbraw/zinc/27/01/92/449270192.db2.gz RZQSHCXFXKWXHY-GFCCVEGCSA-N 1 0 331.332 1.540 20 5 EDBDRO COC(=O)c1cc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000600309574 449313522 /nfs/dbraw/zinc/31/35/22/449313522.db2.gz CBEGRLCZSNGICI-LBPRGKRZSA-N 1 0 349.387 1.843 20 5 EDBDRO CC[NH2+]CCCNC(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 ZINC000593904335 449275378 /nfs/dbraw/zinc/27/53/78/449275378.db2.gz XCFCRIIBOICCAX-UHFFFAOYSA-N 1 0 345.403 1.877 20 5 EDBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593913897 449281712 /nfs/dbraw/zinc/28/17/12/449281712.db2.gz YFSDEOYPGQRKNI-SQWLQELKSA-N 1 0 333.388 1.953 20 5 EDBDRO CCO[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@H]1C[NH3+] ZINC000593916314 449284756 /nfs/dbraw/zinc/28/47/56/449284756.db2.gz HKRVURNGVYHDBO-IAQYHMDHSA-N 1 0 344.371 1.579 20 5 EDBDRO CN1CC[NH+](CCCCNc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596075544 449350969 /nfs/dbraw/zinc/35/09/69/449350969.db2.gz GUZSKQMZJGDMEL-UHFFFAOYSA-N 1 0 327.816 1.505 20 5 EDBDRO CC[NH+]1CCN([C@@H]2CCN(c3nc(C)cc(C)c3[N+](=O)[O-])C2)CC1 ZINC000611616478 449360439 /nfs/dbraw/zinc/36/04/39/449360439.db2.gz SHEWFEXRIBSUBT-OAHLLOKOSA-N 1 0 333.436 1.823 20 5 EDBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCOC2(C[NH2+]C2)C1 ZINC000596097813 449360936 /nfs/dbraw/zinc/36/09/36/449360936.db2.gz LYIOPTUGALZPGD-UHFFFAOYSA-N 1 0 333.369 1.624 20 5 EDBDRO O=C([C@H]1C[N@@H+]2CCC[C@H]2CO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602124360 449364165 /nfs/dbraw/zinc/36/41/65/449364165.db2.gz NGNCUKLECSBLHB-DLBZAZTESA-N 1 0 345.399 1.949 20 5 EDBDRO COc1cc(N2CCC[N@H+](CCO)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596113164 449368182 /nfs/dbraw/zinc/36/81/82/449368182.db2.gz OMBAKSSIPFONDF-UHFFFAOYSA-N 1 0 329.784 1.761 20 5 EDBDRO C[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000596181117 449400848 /nfs/dbraw/zinc/40/08/48/449400848.db2.gz WVUQHKASCZUTFS-OCCSQVGLSA-N 1 0 334.424 1.034 20 5 EDBDRO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000594314297 449444352 /nfs/dbraw/zinc/44/43/52/449444352.db2.gz BLFDLXWFCOXPNL-UHFFFAOYSA-N 1 0 348.403 1.866 20 5 EDBDRO O=[N+]([O-])c1c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ncnc1N1CCOCC1 ZINC000598588817 449478944 /nfs/dbraw/zinc/47/89/44/449478944.db2.gz CQIUHFNBJBMJLI-CHWSQXEVSA-N 1 0 348.407 1.260 20 5 EDBDRO COC(=O)c1ccnc(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000598602179 449487235 /nfs/dbraw/zinc/48/72/35/449487235.db2.gz LJEBMCCSSQEBIU-ZDUSSCGKSA-N 1 0 348.403 1.945 20 5 EDBDRO CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600743786 449529802 /nfs/dbraw/zinc/52/98/02/449529802.db2.gz ADCJRCIFRNZOPL-JYJNAYRXSA-N 1 0 330.388 1.934 20 5 EDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000598669375 449530908 /nfs/dbraw/zinc/53/09/08/449530908.db2.gz IPHISFBJELXTMB-HWPZZCPQSA-N 1 0 333.344 1.319 20 5 EDBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000594468548 449536779 /nfs/dbraw/zinc/53/67/79/449536779.db2.gz OKFPPIJAVHLYKO-GUYCJALGSA-N 1 0 341.371 2.313 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594474103 449539532 /nfs/dbraw/zinc/53/95/32/449539532.db2.gz GXUVMXAWDNPHJH-JGZJWPJOSA-N 1 0 347.824 1.867 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000596539241 449545583 /nfs/dbraw/zinc/54/55/83/449545583.db2.gz NIYHAYNPKDXUEH-AWEZNQCLSA-N 1 0 349.387 1.417 20 5 EDBDRO O=[N+]([O-])c1ccc(CCO)c(-c2ccc(N3CC[NH2+]CC3)nc2)c1 ZINC000600793147 449547946 /nfs/dbraw/zinc/54/79/46/449547946.db2.gz LOLPYKRUTREDGE-UHFFFAOYSA-N 1 0 328.372 1.601 20 5 EDBDRO CC(C)[C@H]1C[NH2+]CCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000600714481 449512369 /nfs/dbraw/zinc/51/23/69/449512369.db2.gz SEUDQDNSRAUQNW-OAHLLOKOSA-N 1 0 348.403 1.823 20 5 EDBDRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C2 ZINC000598726121 449565545 /nfs/dbraw/zinc/56/55/45/449565545.db2.gz RKFVLTJOQZYCFK-ZANVPECISA-N 1 0 329.353 1.236 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c(C)c1[N+](=O)[O-] ZINC000598713279 449557731 /nfs/dbraw/zinc/55/77/31/449557731.db2.gz AAPAHSCWVAISDF-QWHCGFSZSA-N 1 0 339.417 1.584 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CCC[NH2+][C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598714741 449559034 /nfs/dbraw/zinc/55/90/34/449559034.db2.gz JXOLTJSDDWLWAM-RYUDHWBXSA-N 1 0 327.406 1.630 20 5 EDBDRO Cn1nnc2c1CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C2 ZINC000594521110 449560925 /nfs/dbraw/zinc/56/09/25/449560925.db2.gz LWBBJCLPBLFLNT-ZOWXZIJZSA-N 1 0 345.407 1.551 20 5 EDBDRO Cn1cc(C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c([N+](=O)[O-])n1 ZINC000602448405 449595765 /nfs/dbraw/zinc/59/57/65/449595765.db2.gz HJPPVHJWRQVZPO-ZIAGYGMSSA-N 1 0 327.388 1.897 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CCO1 ZINC000602481002 449624327 /nfs/dbraw/zinc/62/43/27/449624327.db2.gz AZRAPAKEBNMDLQ-MRVPVSSYSA-N 1 0 344.165 1.157 20 5 EDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000602529557 449652315 /nfs/dbraw/zinc/65/23/15/449652315.db2.gz QBSUSJYZLVRWKI-MRXNPFEDSA-N 1 0 343.387 1.851 20 5 EDBDRO COCc1csc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000594731073 449654341 /nfs/dbraw/zinc/65/43/41/449654341.db2.gz FBBLJNYWPBSBDH-LBPRGKRZSA-N 1 0 326.378 1.150 20 5 EDBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCC[NH+]1CCCCC1 ZINC000598894012 449632988 /nfs/dbraw/zinc/63/29/88/449632988.db2.gz HHUYBDCTZAQDQQ-UHFFFAOYSA-N 1 0 349.391 1.318 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000594790163 449699138 /nfs/dbraw/zinc/69/91/38/449699138.db2.gz SQSRHBQNHPPWJE-CQSZACIVSA-N 1 0 341.433 1.887 20 5 EDBDRO CO[C@@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CCOCC1 ZINC000602638060 449721592 /nfs/dbraw/zinc/72/15/92/449721592.db2.gz BPRIWDZLVVOZDF-HNNXBMFYSA-N 1 0 338.408 1.870 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)c1C ZINC000594817959 449726167 /nfs/dbraw/zinc/72/61/67/449726167.db2.gz WPXFXUGTBVIEFD-LLVKDONJSA-N 1 0 329.422 1.830 20 5 EDBDRO CCOC(=O)c1ccnc(N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000601184376 449739217 /nfs/dbraw/zinc/73/92/17/449739217.db2.gz LRCNSQZNCGRXNI-NWDGAFQWSA-N 1 0 334.376 1.554 20 5 EDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594777387 449689395 /nfs/dbraw/zinc/68/93/95/449689395.db2.gz DRFQIIKLAOBTDK-NEPJUHHUSA-N 1 0 340.405 1.237 20 5 EDBDRO Cn1cc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c([N+](=O)[O-])n1 ZINC000602669875 449741409 /nfs/dbraw/zinc/74/14/09/449741409.db2.gz KYNUMZYIZVLAKH-KRWDZBQOSA-N 1 0 348.378 1.895 20 5 EDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602723942 449768221 /nfs/dbraw/zinc/76/82/21/449768221.db2.gz JVJMQWVFNTUXTN-LNDLHUTPSA-N 1 0 343.383 1.983 20 5 EDBDRO O=C(CN1CCC[C@H]2C[NH2+]CC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000601335682 449845248 /nfs/dbraw/zinc/84/52/48/449845248.db2.gz WXCWWDWMBNYTPF-HOCLYGCPSA-N 1 0 344.415 1.558 20 5 EDBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000612678932 449830144 /nfs/dbraw/zinc/83/01/44/449830144.db2.gz HQOHZKPEWSGEHC-AWEZNQCLSA-N 1 0 341.433 1.889 20 5 EDBDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1CC[NH3+] ZINC000595114299 449876885 /nfs/dbraw/zinc/87/68/85/449876885.db2.gz VPJIVYKELNCRNR-ZYHUDNBSSA-N 1 0 328.394 1.128 20 5 EDBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000612794022 449880558 /nfs/dbraw/zinc/88/05/58/449880558.db2.gz RQQJFCWMLJMBHP-LBPRGKRZSA-N 1 0 327.406 1.748 20 5 EDBDRO C[NH+](C)C[C@]1(O)CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000602878110 449886590 /nfs/dbraw/zinc/88/65/90/449886590.db2.gz VMTNTXGVJLNEEQ-QGZVFWFLSA-N 1 0 337.420 1.752 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c([N+](=O)[O-])s1 ZINC000601339210 449847883 /nfs/dbraw/zinc/84/78/83/449847883.db2.gz ACSKNLJUHCQAQP-LLVKDONJSA-N 1 0 345.446 1.727 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3CN(C)C[C@H]32)c([N+](=O)[O-])s1 ZINC000601419809 449935610 /nfs/dbraw/zinc/93/56/10/449935610.db2.gz OBGDSJYKPKUHSA-VHSXEESVSA-N 1 0 331.419 1.289 20 5 EDBDRO Cc1sc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000601420701 449937549 /nfs/dbraw/zinc/93/75/49/449937549.db2.gz FKUHXQPGXOMLEI-WCBMZHEXSA-N 1 0 333.435 1.678 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000595222519 449957913 /nfs/dbraw/zinc/95/79/13/449957913.db2.gz LEDGFJVIMCVBNE-ZDUSSCGKSA-N 1 0 335.408 1.489 20 5 EDBDRO CC[N@@H+]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000601440786 449962935 /nfs/dbraw/zinc/96/29/35/449962935.db2.gz XUNSPFMNIPMMQY-CYBMUJFWSA-N 1 0 341.433 1.841 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC2([NH+](C)C)CC2)c1C ZINC000601448826 449972678 /nfs/dbraw/zinc/97/26/78/449972678.db2.gz PAGHIBHYQGXZNK-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO Cc1c(CNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000595282696 449999075 /nfs/dbraw/zinc/99/90/75/449999075.db2.gz XZLOERVHMNALMP-CYBMUJFWSA-N 1 0 336.392 1.009 20 5 EDBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609383040 450021111 /nfs/dbraw/zinc/02/11/11/450021111.db2.gz IKPWQSUDAHJCFV-NSHDSACASA-N 1 0 333.344 1.538 20 5 EDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000599475751 450004413 /nfs/dbraw/zinc/00/44/13/450004413.db2.gz DIMUSHVCULJPPS-LBPRGKRZSA-N 1 0 347.350 1.744 20 5 EDBDRO [NH3+]C1(CO)CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000613083792 450013806 /nfs/dbraw/zinc/01/38/06/450013806.db2.gz NBMZWDKBWQSVAB-UHFFFAOYSA-N 1 0 328.756 1.566 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000595355888 450070863 /nfs/dbraw/zinc/07/08/63/450070863.db2.gz SPUCYBRQEGISHF-GFCCVEGCSA-N 1 0 327.406 1.666 20 5 EDBDRO Cc1nn(CCC(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000601558807 450072666 /nfs/dbraw/zinc/07/26/66/450072666.db2.gz SMNQPVHVMMRFAB-KBPBESRZSA-N 1 0 335.408 1.399 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000615293317 450051217 /nfs/dbraw/zinc/05/12/17/450051217.db2.gz AFGMOUSNSXBYKS-VXGBXAGGSA-N 1 0 343.405 1.364 20 5 EDBDRO C[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CC[NH+](C)CC1 ZINC000609583794 450059336 /nfs/dbraw/zinc/05/93/36/450059336.db2.gz WSRNZCWKOCOTQX-JTQLQIEISA-N 1 0 331.376 1.931 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000599627294 450113897 /nfs/dbraw/zinc/11/38/97/450113897.db2.gz WVRNLLYLGKGQRJ-INLINHOESA-N 1 0 337.376 1.943 20 5 EDBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000610212371 450154538 /nfs/dbraw/zinc/15/45/38/450154538.db2.gz YQMVTPVVJFAZKH-LLVKDONJSA-N 1 0 340.405 1.285 20 5 EDBDRO C[NH+](C)C[C@H](CO)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000597653568 450173208 /nfs/dbraw/zinc/17/32/08/450173208.db2.gz LSYQNXBCPOFOIT-SECBINFHSA-N 1 0 335.282 1.266 20 5 EDBDRO COC(=O)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]2CCC[C@@H]21 ZINC000599654062 450131605 /nfs/dbraw/zinc/13/16/05/450131605.db2.gz LEPPHBDHYFIQNV-KFWWJZLASA-N 1 0 349.387 1.420 20 5 EDBDRO CNc1nccc(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000601740626 450205581 /nfs/dbraw/zinc/20/55/81/450205581.db2.gz WCLQIAKAQFFCIM-UHFFFAOYSA-N 1 0 347.419 2.122 20 5 EDBDRO CNc1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000597697749 450205647 /nfs/dbraw/zinc/20/56/47/450205647.db2.gz ZWFVNOGGFDYVSM-GDBMZVCRSA-N 1 0 348.403 1.572 20 5 EDBDRO C[NH+](C)CC1CN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000597709571 450212480 /nfs/dbraw/zinc/21/24/80/450212480.db2.gz YFGXOYNYCKEQLW-UHFFFAOYSA-N 1 0 344.371 1.542 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000610426337 450213899 /nfs/dbraw/zinc/21/38/99/450213899.db2.gz XZXJYUXGVFJEAV-NEPJUHHUSA-N 1 0 338.412 1.038 20 5 EDBDRO CC[N@@H+]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000595536152 450215149 /nfs/dbraw/zinc/21/51/49/450215149.db2.gz NITKQBSGKOHRPX-AWEZNQCLSA-N 1 0 334.420 1.974 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c1 ZINC000610336432 450195490 /nfs/dbraw/zinc/19/54/90/450195490.db2.gz AAOHJRGUOZKLIG-SJORKVTESA-N 1 0 346.387 1.616 20 5 EDBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000619787976 450334527 /nfs/dbraw/zinc/33/45/27/450334527.db2.gz PWTHFMCLVNQCEU-CYBMUJFWSA-N 1 0 329.360 1.664 20 5 EDBDRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000619873501 450349019 /nfs/dbraw/zinc/34/90/19/450349019.db2.gz JCPRZCORDROASG-CYBMUJFWSA-N 1 0 343.387 1.196 20 5 EDBDRO CC(C)[NH+]1CCC(N2CCN(c3cccnc3[N+](=O)[O-])CC2)CC1 ZINC000610915857 450380167 /nfs/dbraw/zinc/38/01/67/450380167.db2.gz WSNYHYFIZRMRQI-UHFFFAOYSA-N 1 0 333.436 1.985 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000619531014 450500259 /nfs/dbraw/zinc/50/02/59/450500259.db2.gz YDOGYWQRUKVMFH-INIZCTEOSA-N 1 0 335.404 1.900 20 5 EDBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000619567038 450507470 /nfs/dbraw/zinc/50/74/70/450507470.db2.gz ITWCKZZKAVYNPV-CQSZACIVSA-N 1 0 349.387 1.938 20 5 EDBDRO CC[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000610799222 485819316 /nfs/dbraw/zinc/81/93/16/485819316.db2.gz MMGOLMBRLFTPRI-AWEZNQCLSA-N 1 0 329.422 1.917 20 5 EDBDRO O=C(NCC[C@H]1CCC[NH2+]C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000237883162 491008953 /nfs/dbraw/zinc/00/89/53/491008953.db2.gz BZHCOPAHPUMZLF-CYBMUJFWSA-N 1 0 343.387 1.900 20 5 EDBDRO C[C@H]1CC[C@](CO)([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000187938228 533770442 /nfs/dbraw/zinc/77/04/42/533770442.db2.gz XAMVVULBTSDQGD-QRTARXTBSA-N 1 0 338.404 1.817 20 5 EDBDRO Cc1c(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000184384944 533801696 /nfs/dbraw/zinc/80/16/96/533801696.db2.gz VWZABLFDXMOBDQ-ZDUSSCGKSA-N 1 0 334.420 1.659 20 5 EDBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000184355925 533905200 /nfs/dbraw/zinc/90/52/00/533905200.db2.gz SZBDZGBIQZWSSZ-MVGZEHJDSA-N 1 0 346.431 1.750 20 5 EDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000183550297 534423171 /nfs/dbraw/zinc/42/31/71/534423171.db2.gz RJPGHWNFEHEKDE-LBPRGKRZSA-N 1 0 335.364 1.176 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000237181868 536452981 /nfs/dbraw/zinc/45/29/81/536452981.db2.gz WCHNRLXLGHRDRN-OLZOCXBDSA-N 1 0 348.403 1.171 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000237293202 536464482 /nfs/dbraw/zinc/46/44/82/536464482.db2.gz ZJFPIQUIEHRINN-LLVKDONJSA-N 1 0 325.340 1.571 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000183986908 528542508 /nfs/dbraw/zinc/54/25/08/528542508.db2.gz ULDBXBJWMQWITI-GFCCVEGCSA-N 1 0 341.433 1.506 20 5 EDBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000264165020 535526537 /nfs/dbraw/zinc/52/65/37/535526537.db2.gz JLEIWRCBTCBJFE-UHFFFAOYSA-N 1 0 327.385 1.057 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CCC[C@H](C[NH2+]C)C2)cc([N+](=O)[O-])c1 ZINC000347499898 535675437 /nfs/dbraw/zinc/67/54/37/535675437.db2.gz PVIWTHQTWKSWRX-GFCCVEGCSA-N 1 0 349.387 1.843 20 5 EDBDRO Cn1c(C(=O)NCc2ccccc2OCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000346706869 535915538 /nfs/dbraw/zinc/91/55/38/535915538.db2.gz GMSIFXDIURBDOW-UHFFFAOYSA-N 1 0 346.387 1.804 20 5 EDBDRO COc1cc(CN2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000262639478 536760770 /nfs/dbraw/zinc/76/07/70/536760770.db2.gz HJWGPLZUTQJIPY-SECBINFHSA-N 1 0 331.319 1.999 20 5 EDBDRO COc1cc(C[NH2+][C@@H](C)CC(N)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000352812046 536804426 /nfs/dbraw/zinc/80/44/26/536804426.db2.gz XSELBUDQEZWWKL-QMMMGPOBSA-N 1 0 347.318 1.601 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc([N+](=O)[O-])c1 ZINC000346329512 536871563 /nfs/dbraw/zinc/87/15/63/536871563.db2.gz RWNKIZDXUXFYNF-KRWDZBQOSA-N 1 0 347.371 1.549 20 5 EDBDRO O=[N+]([O-])c1nn(CN2CC[C@@H]([NH+]3CC=CC3)C2)cc1Br ZINC000742163526 579437380 /nfs/dbraw/zinc/43/73/80/579437380.db2.gz TZZOLFWTVWJUKI-SNVBAGLBSA-N 1 0 342.197 1.457 20 5 EDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000730936349 578664252 /nfs/dbraw/zinc/66/42/52/578664252.db2.gz KRVWRTMPBGJUEQ-NSHDSACASA-N 1 0 325.340 1.571 20 5 EDBDRO CC(C)[C@H]1C[N@H+](C)CCN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000735757310 578921043 /nfs/dbraw/zinc/92/10/43/578921043.db2.gz AMFSZLZXXLWTQL-CQSZACIVSA-N 1 0 331.380 1.551 20 5 EDBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736247409 578968194 /nfs/dbraw/zinc/96/81/94/578968194.db2.gz CQHASEPGATZZNU-QWRGUYRKSA-N 1 0 346.395 1.845 20 5 EDBDRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736859756 579027840 /nfs/dbraw/zinc/02/78/40/579027840.db2.gz IXIMTVCFVDDAJZ-LSDHHAIUSA-N 1 0 343.391 1.838 20 5 EDBDRO C[C@H]1CC[N@H+](CCNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000744798596 579524684 /nfs/dbraw/zinc/52/46/84/579524684.db2.gz CLKHXNSEAKMSAO-LBPRGKRZSA-N 1 0 331.376 1.403 20 5 EDBDRO COc1ccc(CC(=O)N2CCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000748326266 579679684 /nfs/dbraw/zinc/67/96/84/579679684.db2.gz POJSHTABUKBPJB-UHFFFAOYSA-N 1 0 333.388 1.843 20 5 EDBDRO CC[C@H](CO)[NH+]1CCN(C(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000752619470 579862476 /nfs/dbraw/zinc/86/24/76/579862476.db2.gz RROYKRCIGFHAGG-OBEJXRGXSA-N 1 0 347.415 1.913 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)cc1 ZINC000769803308 580245480 /nfs/dbraw/zinc/24/54/80/580245480.db2.gz YVWUSFCOFHBXJQ-KZNAEPCWSA-N 1 0 349.431 1.861 20 5 EDBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771501895 580288064 /nfs/dbraw/zinc/28/80/64/580288064.db2.gz AJDVQZWLCMQMSO-SECBINFHSA-N 1 0 347.400 1.814 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](CCO)C2CC2)cc1 ZINC000771797440 580294233 /nfs/dbraw/zinc/29/42/33/580294233.db2.gz ACXNGPLOVNUBLT-AWEZNQCLSA-N 1 0 328.390 1.119 20 5 EDBDRO CS[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000772848642 580321801 /nfs/dbraw/zinc/32/18/01/580321801.db2.gz XBQBWTZIZJJATB-CHWSQXEVSA-N 1 0 327.381 1.852 20 5 EDBDRO CCNS(=O)(=O)CC[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000772975129 580324554 /nfs/dbraw/zinc/32/45/54/580324554.db2.gz CVACPTAPFBHADB-LLVKDONJSA-N 1 0 345.421 1.583 20 5 EDBDRO C[C@H](NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000774708175 580371567 /nfs/dbraw/zinc/37/15/67/580371567.db2.gz RLJUIMCXCUWRDU-IHRRRGAJSA-N 1 0 348.403 1.818 20 5 EDBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000786783884 580679113 /nfs/dbraw/zinc/67/91/13/580679113.db2.gz XKXQFFRIRWVBLG-LBPRGKRZSA-N 1 0 341.433 1.965 20 5 EDBDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000794986222 580909967 /nfs/dbraw/zinc/90/99/67/580909967.db2.gz WTQWIWCGCSGQFR-NHAGDIPZSA-N 1 0 333.344 1.274 20 5 EDBDRO CC1(C)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000796559862 580956445 /nfs/dbraw/zinc/95/64/45/580956445.db2.gz DRGYBCPEIDFYEI-RDJZCZTQSA-N 1 0 336.388 1.898 20 5 EDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000801798325 581084971 /nfs/dbraw/zinc/08/49/71/581084971.db2.gz UXRBMSYMZFUIOI-UHFFFAOYSA-N 1 0 345.334 1.674 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801880905 581087173 /nfs/dbraw/zinc/08/71/73/581087173.db2.gz YUEAHBTWLSQVAR-SNVBAGLBSA-N 1 0 340.355 1.157 20 5 EDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000893048907 590635631 /nfs/dbraw/zinc/63/56/31/590635631.db2.gz VIGSNGOIMJJTAI-DZGCQCFKSA-N 1 0 349.435 1.461 20 5 EDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891448551 591075519 /nfs/dbraw/zinc/07/55/19/591075519.db2.gz QXOFXRJQQFPJKM-LLVKDONJSA-N 1 0 328.319 1.639 20 5 EDBDRO C[C@H](NC(=O)N1CCN(C)CC[N@H+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000894017111 591167229 /nfs/dbraw/zinc/16/72/29/591167229.db2.gz XGDBUZGUNXXFQY-AWEZNQCLSA-N 1 0 349.435 1.545 20 5 EDBDRO C[NH+](C)C[C@](C)(O)CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC000892956001 591238613 /nfs/dbraw/zinc/23/86/13/591238613.db2.gz QYDPOHZOYBUGIQ-OAHLLOKOSA-N 1 0 338.795 1.943 20 5 EDBDRO CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)C1CC[NH+](C)CC1 ZINC000888179427 591435074 /nfs/dbraw/zinc/43/50/74/591435074.db2.gz SDLDLQFWCDFJRB-UHFFFAOYSA-N 1 0 349.387 1.922 20 5 EDBDRO O=[N+]([O-])c1c(NC[C@H]2CC[N@@H+]2C2CCOCC2)nc2sccn21 ZINC000896515385 591487929 /nfs/dbraw/zinc/48/79/29/591487929.db2.gz BYUBYRAWCBFEQM-LLVKDONJSA-N 1 0 337.405 1.969 20 5 EDBDRO C[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@H]1C[N@H+](C)CCN1C ZINC000896551265 591516503 /nfs/dbraw/zinc/51/65/03/591516503.db2.gz DQDYVYPJLPODQD-IAQYHMDHSA-N 1 0 345.403 1.440 20 5 EDBDRO CN1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@H+](C)CC1 ZINC000897098766 591740313 /nfs/dbraw/zinc/74/03/13/591740313.db2.gz VHMGWCUMQITJCQ-UHFFFAOYSA-N 1 0 344.362 1.880 20 5 EDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c(Cl)c1 ZINC000897216027 591771797 /nfs/dbraw/zinc/77/17/97/591771797.db2.gz GZNUYYVUQDDONW-QWHCGFSZSA-N 1 0 326.784 1.679 20 5 EDBDRO COC[C@H]1C[NH2+]CCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000900448725 592020933 /nfs/dbraw/zinc/02/09/33/592020933.db2.gz AZHGOHJVDXZAAW-SNVBAGLBSA-N 1 0 330.182 1.782 20 5 EDBDRO C[NH+]1C[C@]2(C)CN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000902807552 592063874 /nfs/dbraw/zinc/06/38/74/592063874.db2.gz ZVKUAWVICYTZPR-IAGOWNOFSA-N 1 0 346.387 1.334 20 5 EDBDRO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000900666906 592085978 /nfs/dbraw/zinc/08/59/78/592085978.db2.gz QAJSUHBSMMNWOG-CQSZACIVSA-N 1 0 329.360 1.274 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@]34CC[NH2+]C4)n2)c1 ZINC000903865841 592341203 /nfs/dbraw/zinc/34/12/03/592341203.db2.gz RYADVFQDIPZFET-MRXNPFEDSA-N 1 0 329.360 1.973 20 5 EDBDRO C[NH+](C)CC1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000908532107 592526849 /nfs/dbraw/zinc/52/68/49/592526849.db2.gz YGSLBUTYYATORA-UHFFFAOYSA-N 1 0 335.360 1.390 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)Cc2ccccc2F)cc1 ZINC000905470938 592544644 /nfs/dbraw/zinc/54/46/44/592544644.db2.gz FIGORONATGEDCN-RDJZCZTQSA-N 1 0 334.347 1.961 20 5 EDBDRO Cc1c(CC(=O)N2CCC(CO)([NH2+]C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000908598920 592548924 /nfs/dbraw/zinc/54/89/24/592548924.db2.gz KTRZVWNXHKRZOX-UHFFFAOYSA-N 1 0 349.431 1.797 20 5 EDBDRO CO[C@]1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCSC1 ZINC000905546984 592558267 /nfs/dbraw/zinc/55/82/67/592558267.db2.gz QTFRFGIINCFOSV-DOMZBBRYSA-N 1 0 342.417 1.446 20 5 EDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCCO4)C[C@H]2C1 ZINC000907803634 592788303 /nfs/dbraw/zinc/78/83/03/592788303.db2.gz JSQPYYNNMUITPK-TXEJJXNPSA-N 1 0 347.371 1.390 20 5 EDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)C1 ZINC000911774124 593002716 /nfs/dbraw/zinc/00/27/16/593002716.db2.gz IPRCPKWTAWRKFT-CQSZACIVSA-N 1 0 343.387 1.521 20 5 EDBDRO CCO[C@@H]1C[NH2+][C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000911973633 593043637 /nfs/dbraw/zinc/04/36/37/593043637.db2.gz MZZROGDWNHGTME-JKSUJKDBSA-N 1 0 348.403 1.010 20 5 EDBDRO CO[C@@H]1CCCN(CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000839988366 593298714 /nfs/dbraw/zinc/29/87/14/593298714.db2.gz NNJHTAAPGZIYQA-ZBFHGGJFSA-N 1 0 335.360 1.600 20 5 EDBDRO COC(=O)[C@@H]1CSCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839677723 593369428 /nfs/dbraw/zinc/36/94/28/593369428.db2.gz VFLLDINGMRROLM-GXTWGEPZSA-N 1 0 340.401 1.466 20 5 EDBDRO CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000839770125 593377287 /nfs/dbraw/zinc/37/72/87/593377287.db2.gz JSRRQMJYEKLONQ-BZUAXINKSA-N 1 0 335.404 1.858 20 5 EDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NCCN1Cc2ccccc2C1 ZINC000757912703 593388751 /nfs/dbraw/zinc/38/87/51/593388751.db2.gz BPUFFZYQOCHVES-UHFFFAOYSA-N 1 0 327.344 1.318 20 5 EDBDRO NC(=O)c1ccnc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000811726338 593477119 /nfs/dbraw/zinc/47/71/19/593477119.db2.gz YXTHDPXUEAWAQB-LBPRGKRZSA-N 1 0 349.391 1.144 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000818559994 593704724 /nfs/dbraw/zinc/70/47/24/593704724.db2.gz YGXMEGFCDNCXAC-BXUZGUMPSA-N 1 0 331.376 1.673 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000818591596 593706272 /nfs/dbraw/zinc/70/62/72/593706272.db2.gz IGUDJMHLSWRRIO-MRXNPFEDSA-N 1 0 337.351 1.715 20 5 EDBDRO CO[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000819067281 593737075 /nfs/dbraw/zinc/73/70/75/593737075.db2.gz HMMSKLKNFCBHDZ-JOYOIKCWSA-N 1 0 338.282 1.501 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c1 ZINC000819196426 593743822 /nfs/dbraw/zinc/74/38/22/593743822.db2.gz CHLPTUNHDZWWDF-FVCCEPFGSA-N 1 0 344.462 1.121 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCC2CCS(=O)(=O)CC2)c1 ZINC000819198732 593743976 /nfs/dbraw/zinc/74/39/76/593743976.db2.gz DGXSCNCAUQSVAC-OAHLLOKOSA-N 1 0 342.417 1.433 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CCN(c3cccnn3)CC2)c1 ZINC000819263574 593747501 /nfs/dbraw/zinc/74/75/01/593747501.db2.gz CARLBTLTYSOFLF-INIZCTEOSA-N 1 0 343.387 1.677 20 5 EDBDRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000819352228 593751639 /nfs/dbraw/zinc/75/16/39/593751639.db2.gz CQDYQWLTDYJXJZ-JQFCIGGWSA-N 1 0 346.387 1.872 20 5 EDBDRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000819362203 593751913 /nfs/dbraw/zinc/75/19/13/593751913.db2.gz UQSSIDJBMCFNSX-KBMXLJTQSA-N 1 0 346.387 1.872 20 5 EDBDRO C[C@@H](C[NH+]1CCCCC1)Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820262313 593803993 /nfs/dbraw/zinc/80/39/93/593803993.db2.gz VOWQVCFQENEMAS-JTQLQIEISA-N 1 0 332.368 1.456 20 5 EDBDRO C[C@@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000820666713 593857413 /nfs/dbraw/zinc/85/74/13/593857413.db2.gz JDTFTTXEPJYQLU-MWLCHTKSSA-N 1 0 329.364 1.812 20 5 EDBDRO Nc1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000823981500 593900883 /nfs/dbraw/zinc/90/08/83/593900883.db2.gz YVKXXYJDJWJRBF-LBPRGKRZSA-N 1 0 349.391 1.363 20 5 EDBDRO O=C(NCC[NH+]1CCC(O)CC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000821870000 593957744 /nfs/dbraw/zinc/95/77/44/593957744.db2.gz FPUJHXUJBGUDBU-HOTGVXAUSA-N 1 0 333.388 1.271 20 5 EDBDRO CC[NH+](CC)C[C@@H]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821189742 593986256 /nfs/dbraw/zinc/98/62/56/593986256.db2.gz RVMMGMISZSOWSS-NSHDSACASA-N 1 0 346.395 1.338 20 5 EDBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824605104 594046487 /nfs/dbraw/zinc/04/64/87/594046487.db2.gz FNKSZTLASUGMDM-SNVBAGLBSA-N 1 0 328.336 1.322 20 5 EDBDRO CN1C(=O)NCC12CC[NH+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000823650156 594224479 /nfs/dbraw/zinc/22/44/79/594224479.db2.gz RJIDDABTAAXMLQ-AWEZNQCLSA-N 1 0 334.376 1.118 20 5 EDBDRO C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)C ZINC000830545578 594418840 /nfs/dbraw/zinc/41/88/40/594418840.db2.gz JFQWIFYBFFQJTD-UHFFFAOYSA-N 1 0 334.420 1.974 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000828787544 594503556 /nfs/dbraw/zinc/50/35/56/594503556.db2.gz MFYZNXUHEQVUGJ-UHFFFAOYSA-N 1 0 349.435 1.967 20 5 EDBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000826543369 594521587 /nfs/dbraw/zinc/52/15/87/594521587.db2.gz AQOYAMSHXNHFGU-ZDUSSCGKSA-N 1 0 339.367 1.917 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)CC[C@H]21 ZINC000827286437 594658691 /nfs/dbraw/zinc/65/86/91/594658691.db2.gz GYXHMYLMSWXSNX-CMPLNLGQSA-N 1 0 333.344 1.490 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c(C)c1[N+](=O)[O-] ZINC000827330786 594661626 /nfs/dbraw/zinc/66/16/26/594661626.db2.gz RSLURLAWVKHSQP-KGLIPLIRSA-N 1 0 335.408 1.351 20 5 EDBDRO CCO[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)C[NH+](C)C ZINC000831714440 594695376 /nfs/dbraw/zinc/69/53/76/594695376.db2.gz WEYLUUDPUCDYCB-SNVBAGLBSA-N 1 0 329.784 1.945 20 5 EDBDRO O=[N+]([O-])c1cc2c(cc1CN[C@@H]1C[NH2+]CCC1(F)F)OCCO2 ZINC000841073906 594848078 /nfs/dbraw/zinc/84/80/78/594848078.db2.gz AJXPUSTWDNRROE-CYBMUJFWSA-N 1 0 329.303 1.453 20 5 EDBDRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841158229 594860346 /nfs/dbraw/zinc/86/03/46/594860346.db2.gz OKVIUCAXQIIXSF-VIFPVBQESA-N 1 0 340.767 1.384 20 5 EDBDRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCC1 ZINC000841209140 594868465 /nfs/dbraw/zinc/86/84/65/594868465.db2.gz PYGZQYKEPOJYSJ-UHFFFAOYSA-N 1 0 326.740 1.184 20 5 EDBDRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233134 594873880 /nfs/dbraw/zinc/87/38/80/594873880.db2.gz MEIISBLENJLBPN-SECBINFHSA-N 1 0 328.756 1.748 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H]2C)c([N+](=O)[O-])s1 ZINC000867146891 594889711 /nfs/dbraw/zinc/88/97/11/594889711.db2.gz BAQZWGXDQNMCIQ-SECBINFHSA-N 1 0 333.435 1.727 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000841982577 594995129 /nfs/dbraw/zinc/99/51/29/594995129.db2.gz WFVKHCNGYBHDAG-KGLIPLIRSA-N 1 0 347.419 1.696 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@@H]3C[NH2+]CCO3)n2)c1 ZINC000843222350 595041945 /nfs/dbraw/zinc/04/19/45/595041945.db2.gz HBLMXHSIFCWKKA-GFCCVEGCSA-N 1 0 334.332 1.108 20 5 EDBDRO C[NH+](C)C1(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCC1 ZINC000837213406 595059433 /nfs/dbraw/zinc/05/94/33/595059433.db2.gz WJJDJPKXJPKYIQ-UHFFFAOYSA-N 1 0 333.392 1.123 20 5 EDBDRO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])O1 ZINC000842338277 595079682 /nfs/dbraw/zinc/07/96/82/595079682.db2.gz HLUYLSMBNMFNEJ-BZUAXINKSA-N 1 0 348.399 1.874 20 5 EDBDRO O=C(CN1CC[NH2+]C[C@H]1C(F)F)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843386212 595096494 /nfs/dbraw/zinc/09/64/94/595096494.db2.gz WVLYNUHUNUGKJS-NSHDSACASA-N 1 0 348.737 1.726 20 5 EDBDRO CS(=O)(=O)N1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000846034863 595127955 /nfs/dbraw/zinc/12/79/55/595127955.db2.gz QYEMFDJILSCRCO-JTQLQIEISA-N 1 0 333.797 1.372 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000843498534 595132243 /nfs/dbraw/zinc/13/22/43/595132243.db2.gz PMOSKLHEXBLRBJ-NSHDSACASA-N 1 0 338.320 1.001 20 5 EDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000834578833 595167498 /nfs/dbraw/zinc/16/74/98/595167498.db2.gz FOLZCEZMCLGOLQ-CYBMUJFWSA-N 1 0 348.403 1.303 20 5 EDBDRO C[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000842700186 595174135 /nfs/dbraw/zinc/17/41/35/595174135.db2.gz VXJDVNFJSWJYTI-VHSXEESVSA-N 1 0 347.824 1.915 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000842719728 595179966 /nfs/dbraw/zinc/17/99/66/595179966.db2.gz JRTQLMBDWSVMLB-KOLCDFICSA-N 1 0 347.824 1.914 20 5 EDBDRO Cc1cc(S(=O)(=O)NCCC2(C[NH3+])CC2)cc([N+](=O)[O-])c1F ZINC000846230782 595180702 /nfs/dbraw/zinc/18/07/02/595180702.db2.gz IPJNAJZEWAJAAC-UHFFFAOYSA-N 1 0 331.369 1.450 20 5 EDBDRO CCN(OC)C(=O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000842768341 595193090 /nfs/dbraw/zinc/19/30/90/595193090.db2.gz NMVCKAFUOOXCKO-UHFFFAOYSA-N 1 0 347.375 1.495 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000843103724 595287815 /nfs/dbraw/zinc/28/78/15/595287815.db2.gz BRWQBMFFRUIEKZ-RYQLBKOJSA-N 1 0 346.383 1.702 20 5 EDBDRO O=C(CO[C@@H]1CCC[NH2+]C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000844205009 595301529 /nfs/dbraw/zinc/30/15/29/595301529.db2.gz TVRCCZUBVNKAQL-MRXNPFEDSA-N 1 0 333.388 1.854 20 5 EDBDRO O=C1O[C@@H](C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CN1C1CC1 ZINC000844306886 595320888 /nfs/dbraw/zinc/32/08/88/595320888.db2.gz LXLUEEYBNULUJO-FZMZJTMJSA-N 1 0 347.375 1.459 20 5 EDBDRO C/C(=C/C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000848306405 595357877 /nfs/dbraw/zinc/35/78/77/595357877.db2.gz RRKNQXHOJKLJNV-VGQMVEDTSA-N 1 0 331.372 1.276 20 5 EDBDRO NC(=O)C[C@H]1CC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848486722 595393059 /nfs/dbraw/zinc/39/30/59/595393059.db2.gz KQIOGWWRCFEJAT-DOMZBBRYSA-N 1 0 346.387 1.066 20 5 EDBDRO CC(C)Oc1nc(N2CC[NH+](CCCCO)CC2)ccc1[N+](=O)[O-] ZINC000848667469 595425186 /nfs/dbraw/zinc/42/51/86/595425186.db2.gz JQUWZXVTSSMSDZ-UHFFFAOYSA-N 1 0 338.408 1.672 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000852806988 595551442 /nfs/dbraw/zinc/55/14/42/595551442.db2.gz NGRSVJGSUWUYKH-WCQYABFASA-N 1 0 327.768 1.570 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860161704 595601506 /nfs/dbraw/zinc/60/15/06/595601506.db2.gz KNSOKJBBCNZTIZ-ZYHUDNBSSA-N 1 0 349.343 1.037 20 5 EDBDRO COC(=O)Cc1ccc(N2CCc3[nH+]ccc(N)c3C2)c([N+](=O)[O-])c1 ZINC000857900119 595648039 /nfs/dbraw/zinc/64/80/39/595648039.db2.gz YJRFAIXGNNSPJI-UHFFFAOYSA-N 1 0 342.355 1.850 20 5 EDBDRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000858616700 595845974 /nfs/dbraw/zinc/84/59/74/595845974.db2.gz PFQQCQYZNVUEIL-NSHDSACASA-N 1 0 331.369 1.352 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000856073179 595887863 /nfs/dbraw/zinc/88/78/63/595887863.db2.gz KSYSIBFHBBQBSW-BLLLJJGKSA-N 1 0 346.387 1.688 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000861355523 595960038 /nfs/dbraw/zinc/96/00/38/595960038.db2.gz QSHVSSCUAAEWQM-HNNXBMFYSA-N 1 0 341.795 1.777 20 5 EDBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CCO1 ZINC000856428897 595987923 /nfs/dbraw/zinc/98/79/23/595987923.db2.gz FRDTZXAMGVWIAH-ZDUSSCGKSA-N 1 0 336.392 1.360 20 5 EDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@](O)(C(N)=O)c1ccccc1 ZINC000852018536 596009094 /nfs/dbraw/zinc/00/90/94/596009094.db2.gz ODWRLNZWROPISE-GOSISDBHSA-N 1 0 343.383 1.442 20 5 EDBDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000861659818 596059151 /nfs/dbraw/zinc/05/91/51/596059151.db2.gz SZVXQCPCYPMWQO-LLVKDONJSA-N 1 0 341.795 1.825 20 5 EDBDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852351035 596134046 /nfs/dbraw/zinc/13/40/46/596134046.db2.gz HFIOMHCQVRUBOM-IEAZIUSSSA-N 1 0 338.404 1.784 20 5 EDBDRO Cc1cncn1CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000859952530 596233330 /nfs/dbraw/zinc/23/33/30/596233330.db2.gz ZQZNMOAKAHXWPJ-UHFFFAOYSA-N 1 0 332.316 1.590 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866719725 596309811 /nfs/dbraw/zinc/30/98/11/596309811.db2.gz CCZMQVWQUVWBAK-TZMCWYRMSA-N 1 0 334.376 1.368 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866825046 596367220 /nfs/dbraw/zinc/36/72/20/596367220.db2.gz OZXFIAGEHLHODC-UKRRQHHQSA-N 1 0 339.417 1.293 20 5 EDBDRO O=[N+]([O-])c1cc(CO)c(N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1F ZINC000865561503 596612043 /nfs/dbraw/zinc/61/20/43/596612043.db2.gz MJVWBVHRRUHUHX-LBPRGKRZSA-N 1 0 339.367 1.385 20 5 EDBDRO CN(C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000867960648 596636426 /nfs/dbraw/zinc/63/64/26/596636426.db2.gz ODLITUAODQBOOJ-NVXWUHKLSA-N 1 0 332.404 1.464 20 5 EDBDRO CC[NH2+][C@H](C)c1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000863675041 596654565 /nfs/dbraw/zinc/65/45/65/596654565.db2.gz NRGFECFYNBOAQG-SECBINFHSA-N 1 0 329.320 1.896 20 5 EDBDRO O=C1OC[C@]2(C[NH2+]C/C=C/c3ccccc3[N+](=O)[O-])COCCN12 ZINC000865769045 596675082 /nfs/dbraw/zinc/67/50/82/596675082.db2.gz SJMHUKLFRASKIZ-WMHVBEDNSA-N 1 0 333.344 1.419 20 5 EDBDRO C[NH+]1CCC2(CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)CC1 ZINC000866054602 596773817 /nfs/dbraw/zinc/77/38/17/596773817.db2.gz GWCAGMVIRSSRBM-UHFFFAOYSA-N 1 0 330.392 1.950 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000868448259 596841651 /nfs/dbraw/zinc/84/16/51/596841651.db2.gz HHWXXNYOAWEOSZ-GDBMZVCRSA-N 1 0 332.404 1.873 20 5 EDBDRO O=C1CC2(CCOCC2)[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000872289650 596869711 /nfs/dbraw/zinc/86/97/11/596869711.db2.gz PXVRVUZIILBABM-UHFFFAOYSA-N 1 0 333.388 1.508 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000873095512 597191621 /nfs/dbraw/zinc/19/16/21/597191621.db2.gz XYMGDTYVQNTOFR-CYBMUJFWSA-N 1 0 341.433 1.725 20 5 EDBDRO Cc1ncc2c(n1)CC[C@H]([NH2+]C1CC(n3cc([N+](=O)[O-])cn3)C1)C2 ZINC000876926575 597387228 /nfs/dbraw/zinc/38/72/28/597387228.db2.gz ZRULXQKZTIIOKW-HSBZDZAISA-N 1 0 328.376 1.740 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCCOCC3CCOCC3)C2)c1 ZINC000877059539 597424019 /nfs/dbraw/zinc/42/40/19/597424019.db2.gz XZGZEQZMDFRYCI-UHFFFAOYSA-N 1 0 338.408 1.918 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H](CO)c3ccc(F)cc3)C2)c1 ZINC000877591015 597539573 /nfs/dbraw/zinc/53/95/73/597539573.db2.gz NJOSQXSPXARTNQ-GRTSSRMGSA-N 1 0 334.351 2.000 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879574230 597637379 /nfs/dbraw/zinc/63/73/79/597637379.db2.gz BKOFTIPCXYRTER-XJKSGUPXSA-N 1 0 332.404 1.868 20 5 EDBDRO CN1CC[NH+](C2CCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000879593603 597649730 /nfs/dbraw/zinc/64/97/30/597649730.db2.gz HMJYONOALFPCAD-SFHVURJKSA-N 1 0 348.447 1.340 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@H]1COC(=O)N(C)C ZINC000878611402 597654931 /nfs/dbraw/zinc/65/49/31/597654931.db2.gz QQMRGEDHUXFWGJ-ZDUSSCGKSA-N 1 0 339.396 1.652 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880135478 597852086 /nfs/dbraw/zinc/85/20/86/597852086.db2.gz WCBVAQRCKXYIJN-CABCVRRESA-N 1 0 348.403 1.710 20 5 EDBDRO CO[C@H]1COCC[C@H]1N(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000880430106 597931049 /nfs/dbraw/zinc/93/10/49/597931049.db2.gz JURLLSKEPPBPIV-ZBFHGGJFSA-N 1 0 349.387 1.220 20 5 EDBDRO CO[C@@H]1COCC[C@@H]1N(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000880430101 597931066 /nfs/dbraw/zinc/93/10/66/597931066.db2.gz JURLLSKEPPBPIV-GOEBONIOSA-N 1 0 349.387 1.220 20 5 EDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000883892594 597932587 /nfs/dbraw/zinc/93/25/87/597932587.db2.gz RHPQNBDMBMPZFG-AWEZNQCLSA-N 1 0 347.419 1.521 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1 ZINC000880582503 597970194 /nfs/dbraw/zinc/97/01/94/597970194.db2.gz OVIVHZKGXNYSNL-HZPDHXFCSA-N 1 0 336.388 1.492 20 5 EDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(-c2nn[nH]n2)c1 ZINC000738369292 598499377 /nfs/dbraw/zinc/49/93/77/598499377.db2.gz KKVNLHPJAYVYHV-NEPJUHHUSA-N 1 0 330.352 1.209 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000917654458 697059254 /nfs/dbraw/zinc/05/92/54/697059254.db2.gz HCRQPWHWLKUUAE-OLZOCXBDSA-N 1 0 339.417 1.808 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2ncc(Cl)s2)CC1 ZINC000996429612 702783484 /nfs/dbraw/zinc/78/34/84/702783484.db2.gz QGUDWABVFPVIAH-NXEZZACHSA-N 1 0 344.824 1.542 20 5 EDBDRO O=C(c1cn[nH]n1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000996756132 703044464 /nfs/dbraw/zinc/04/44/64/703044464.db2.gz KNPSLLDIJSTXPC-UHFFFAOYSA-N 1 0 336.377 1.169 20 5 EDBDRO COCC(=O)N1CCC(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997453419 703677773 /nfs/dbraw/zinc/67/77/73/703677773.db2.gz KTYOTOFZMOWAJN-UHFFFAOYSA-N 1 0 327.406 1.631 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccc(CO)cc2)CC1 ZINC000997774001 704678770 /nfs/dbraw/zinc/67/87/70/704678770.db2.gz ZVLJVFHOCBBNDB-IAGOWNOFSA-N 1 0 347.415 1.172 20 5 EDBDRO O=C(c1cnon1)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000998160201 705442242 /nfs/dbraw/zinc/44/22/42/705442242.db2.gz HSYNCWDCFAXXOE-UHFFFAOYSA-N 1 0 345.359 1.620 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174386029 231194432 /nfs/dbraw/zinc/19/44/32/231194432.db2.gz HJRVUVBEEAMLAI-LBPRGKRZSA-N 1 0 334.376 1.643 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174546177 231237713 /nfs/dbraw/zinc/23/77/13/231237713.db2.gz MGJMCDBKAHFYBC-AWEZNQCLSA-N 1 0 348.403 1.091 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174561440 231242298 /nfs/dbraw/zinc/24/22/98/231242298.db2.gz ZJSOYVQWWQEEDI-CQSZACIVSA-N 1 0 335.408 1.516 20 5 EDBDRO CCc1ccc(C(=O)NCC2([NH+](C)C)CCOCC2)cc1[N+](=O)[O-] ZINC000174238640 529603316 /nfs/dbraw/zinc/60/33/16/529603316.db2.gz QRWGWJQSTKVUOZ-UHFFFAOYSA-N 1 0 335.404 1.998 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000154852412 530058328 /nfs/dbraw/zinc/05/83/28/530058328.db2.gz RRMUOISNQPDVDL-CJNGLKHVSA-N 1 0 333.388 1.916 20 5 EDBDRO O=C1NCC[C@H]1CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000563351370 306329157 /nfs/dbraw/zinc/32/91/57/306329157.db2.gz ZUNVDSCHDUKOIX-ZDUSSCGKSA-N 1 0 333.388 1.964 20 5 EDBDRO Cc1c(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000184384965 235384026 /nfs/dbraw/zinc/38/40/26/235384026.db2.gz VWZABLFDXMOBDQ-CYBMUJFWSA-N 1 0 334.420 1.659 20 5 EDBDRO CC(C)c1ccc(CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000563430417 306332836 /nfs/dbraw/zinc/33/28/36/306332836.db2.gz BEYUCZVRRBHWIK-UKRRQHHQSA-N 1 0 332.404 1.462 20 5 EDBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000347701160 291114543 /nfs/dbraw/zinc/11/45/43/291114543.db2.gz KRXCDPHKILJXNI-STQMWFEESA-N 1 0 337.424 1.816 20 5 EDBDRO Cc1sc(S(=O)(=O)NCCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000123500914 138319037 /nfs/dbraw/zinc/31/90/37/138319037.db2.gz HMNFKDYMGOMBMS-UHFFFAOYSA-N 1 0 347.462 1.975 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](CO)CC(F)(F)F)c1 ZINC000564083988 306355341 /nfs/dbraw/zinc/35/53/41/306355341.db2.gz FCBWFRHLSVAZOI-ONGXEEELSA-N 1 0 338.282 1.237 20 5 EDBDRO CC(C)CC[NH+]1CCC(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000175171744 138692378 /nfs/dbraw/zinc/69/23/78/138692378.db2.gz GJWWZLOBAZMVKM-UHFFFAOYSA-N 1 0 337.424 1.666 20 5 EDBDRO CCC(=O)N1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000564851281 306367475 /nfs/dbraw/zinc/36/74/75/306367475.db2.gz AZMNKYZWBUCULX-GFCCVEGCSA-N 1 0 334.376 1.524 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCC2Cc3ccccc3C2)c1 ZINC000564851306 306367609 /nfs/dbraw/zinc/36/76/09/306367609.db2.gz JTNMUEMOTMEZBF-KRWDZBQOSA-N 1 0 330.388 1.547 20 5 EDBDRO CCc1ccc(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000566228427 306404671 /nfs/dbraw/zinc/40/46/71/306404671.db2.gz RXDVHZMZQMKRGT-HNNXBMFYSA-N 1 0 341.433 1.825 20 5 EDBDRO C[NH+](C)C1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000109986003 220007323 /nfs/dbraw/zinc/00/73/23/220007323.db2.gz JMIXSHXVGJGLPA-UHFFFAOYSA-N 1 0 344.371 1.603 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000193416800 138968820 /nfs/dbraw/zinc/96/88/20/138968820.db2.gz IZPUNRDWGAVYQT-KWQFWETISA-N 1 0 347.368 1.019 20 5 EDBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000235720583 139026218 /nfs/dbraw/zinc/02/62/18/139026218.db2.gz ALVHZYKJVQUENT-WPRPVWTQSA-N 1 0 333.797 1.667 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000236802020 139031830 /nfs/dbraw/zinc/03/18/30/139031830.db2.gz UENAYXZDTAERSN-ZDUSSCGKSA-N 1 0 329.422 1.897 20 5 EDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000236833431 139032903 /nfs/dbraw/zinc/03/29/03/139032903.db2.gz PRSQQKBBJHMGEB-MRXNPFEDSA-N 1 0 332.360 1.540 20 5 EDBDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000111221274 220113885 /nfs/dbraw/zinc/11/38/85/220113885.db2.gz DGIIXHPPDFFAMU-YPMHNXCESA-N 1 0 346.387 1.070 20 5 EDBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000111269069 220128889 /nfs/dbraw/zinc/12/88/89/220128889.db2.gz AETAPHLJHGRQMB-LLVKDONJSA-N 1 0 335.360 1.419 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000080476363 217306031 /nfs/dbraw/zinc/30/60/31/217306031.db2.gz CCKCAIVNJXVTGA-UHFFFAOYSA-N 1 0 325.413 1.725 20 5 EDBDRO Cn1cc(C[NH2+]CCn2cccn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237923404 139063880 /nfs/dbraw/zinc/06/38/80/139063880.db2.gz VQUZBUMENRUDHS-UHFFFAOYSA-N 1 0 326.360 1.982 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246363131 139105613 /nfs/dbraw/zinc/10/56/13/139105613.db2.gz KYDRCGXZLIZHML-BBRMVZONSA-N 1 0 332.404 1.584 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000246501139 139110974 /nfs/dbraw/zinc/11/09/74/139110974.db2.gz BQTWEQXQWPHPCO-RYUDHWBXSA-N 1 0 327.406 1.651 20 5 EDBDRO Cc1ccc(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1[N+](=O)[O-] ZINC000568761460 306488721 /nfs/dbraw/zinc/48/87/21/306488721.db2.gz VAVJUCCSHJLDHR-AWEZNQCLSA-N 1 0 344.375 1.431 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000249392804 139192568 /nfs/dbraw/zinc/19/25/68/139192568.db2.gz AGWRGTMYQHXMDD-NEPJUHHUSA-N 1 0 346.387 1.603 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000261658640 139215167 /nfs/dbraw/zinc/21/51/67/139215167.db2.gz GDBPFRBIKPQVJY-JQWIXIFHSA-N 1 0 343.405 1.494 20 5 EDBDRO C[C@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000261684831 139217332 /nfs/dbraw/zinc/21/73/32/139217332.db2.gz DNCGHOYFWBRIGL-WCQYABFASA-N 1 0 344.375 1.375 20 5 EDBDRO COc1cc(N2CCC[C@H](C(=O)NCC[NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000261676539 139216442 /nfs/dbraw/zinc/21/64/42/139216442.db2.gz MJIJUTFYFPJCAE-JTQLQIEISA-N 1 0 340.355 1.034 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000261735854 139221941 /nfs/dbraw/zinc/22/19/41/139221941.db2.gz SEYYECVZMDNCEK-MRXNPFEDSA-N 1 0 347.396 1.760 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000261716838 139220068 /nfs/dbraw/zinc/22/00/68/139220068.db2.gz QEVRFVDYVUDAGT-WDEREUQCSA-N 1 0 337.376 1.669 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000261791037 139226278 /nfs/dbraw/zinc/22/62/78/139226278.db2.gz TXAKGMSAUBHFIC-WDEREUQCSA-N 1 0 343.405 1.270 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000261775618 139224934 /nfs/dbraw/zinc/22/49/34/139224934.db2.gz SSSUFOBGXZRKGA-UHFFFAOYSA-N 1 0 339.417 1.500 20 5 EDBDRO C[NH2+][C@@H](C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000261814437 139228413 /nfs/dbraw/zinc/22/84/13/139228413.db2.gz SZAKFSRFZFLBRU-LURJTMIESA-N 1 0 334.145 1.834 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc([N+](=O)[O-])c1OC ZINC000261918777 139236816 /nfs/dbraw/zinc/23/68/16/139236816.db2.gz YOSZOPPHNPETMJ-ZYHUDNBSSA-N 1 0 337.376 1.811 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261941072 139238851 /nfs/dbraw/zinc/23/88/51/139238851.db2.gz MVNASAFTLJQZLZ-XHSDSOJGSA-N 1 0 335.404 1.850 20 5 EDBDRO CC(C)(C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000262007142 139243406 /nfs/dbraw/zinc/24/34/06/139243406.db2.gz GYRBZPMTNIJZRT-INIZCTEOSA-N 1 0 346.431 1.379 20 5 EDBDRO COc1ccc(-c2ccc(CNC[C@@H]3C[NH2+]C[C@@H]3O)o2)c([N+](=O)[O-])c1 ZINC000262065318 139247931 /nfs/dbraw/zinc/24/79/31/139247931.db2.gz AXEVLXJGQMEJPK-BZNIZROVSA-N 1 0 347.371 1.533 20 5 EDBDRO C[C@@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262068140 139248129 /nfs/dbraw/zinc/24/81/29/139248129.db2.gz FSZICCUEKHWLPX-BXUZGUMPSA-N 1 0 327.406 1.781 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262382842 139274976 /nfs/dbraw/zinc/27/49/76/139274976.db2.gz NCWWWOFXSYCFGW-RYUDHWBXSA-N 1 0 329.360 1.651 20 5 EDBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418756473 251415190 /nfs/dbraw/zinc/41/51/90/251415190.db2.gz HBABNNYJHJRREP-HNNXBMFYSA-N 1 0 334.376 1.041 20 5 EDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000262643792 139292757 /nfs/dbraw/zinc/29/27/57/139292757.db2.gz UHGPBIZNSILYGV-MWLCHTKSSA-N 1 0 327.768 1.836 20 5 EDBDRO [NH3+]CC[C@H]1CCCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420322566 251670992 /nfs/dbraw/zinc/67/09/92/251670992.db2.gz WSLMHERNHNNLGV-CYBMUJFWSA-N 1 0 341.433 1.572 20 5 EDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000424021466 252116371 /nfs/dbraw/zinc/11/63/71/252116371.db2.gz NTVSMFDDBNLNBJ-JTQLQIEISA-N 1 0 325.390 1.507 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424221463 252166851 /nfs/dbraw/zinc/16/68/51/252166851.db2.gz BUOHTHFHMDQLJK-LSDHHAIUSA-N 1 0 343.387 1.512 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424317690 252196074 /nfs/dbraw/zinc/19/60/74/252196074.db2.gz FIVQRMODYIKLHY-QWHCGFSZSA-N 1 0 348.403 1.770 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425808388 252310734 /nfs/dbraw/zinc/31/07/34/252310734.db2.gz HFPSKNUKWASIRR-SWLSCSKDSA-N 1 0 346.387 1.394 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000415651006 304248000 /nfs/dbraw/zinc/24/80/00/304248000.db2.gz GCZDHSAHCJHRLM-MFKMUULPSA-N 1 0 334.376 1.352 20 5 EDBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261730446 285079834 /nfs/dbraw/zinc/07/98/34/285079834.db2.gz RRRBNWCKBSUOOE-ZDUSSCGKSA-N 1 0 327.388 1.627 20 5 EDBDRO CN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC000153447560 224105818 /nfs/dbraw/zinc/10/58/18/224105818.db2.gz ANZIGCLDKUXKRO-ZDUSSCGKSA-N 1 0 344.375 1.342 20 5 EDBDRO O=C1C[C@H]([NH2+]C2(CO)CCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000570104529 306530404 /nfs/dbraw/zinc/53/04/04/306530404.db2.gz KXIVVQNVUOXZSH-ZDUSSCGKSA-N 1 0 333.344 1.121 20 5 EDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCC2(O)CCOCC2)n1 ZINC000353843049 285169717 /nfs/dbraw/zinc/16/97/17/285169717.db2.gz IAVXUGWGILXVEC-KGLIPLIRSA-N 1 0 338.408 1.796 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494286197 255244217 /nfs/dbraw/zinc/24/42/17/255244217.db2.gz XNMJEFHSASQPEH-UHFFFAOYSA-N 1 0 335.335 1.390 20 5 EDBDRO O=C1OCCN1C[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000496481762 255397353 /nfs/dbraw/zinc/39/73/53/255397353.db2.gz RJTGBWUZBGWXGR-WFASDCNBSA-N 1 0 335.360 1.402 20 5 EDBDRO CCC[NH+](CCC)CCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000263925230 139370118 /nfs/dbraw/zinc/37/01/18/139370118.db2.gz DXFXQSPVZVOSCE-UHFFFAOYSA-N 1 0 338.408 1.385 20 5 EDBDRO Cc1nn(CCC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(C)c1[N+](=O)[O-] ZINC000263989376 139374302 /nfs/dbraw/zinc/37/43/02/139374302.db2.gz NJNYRVPXYQTKBF-UONOGXRCSA-N 1 0 335.408 1.541 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118105864 221118918 /nfs/dbraw/zinc/11/89/18/221118918.db2.gz HEACHJWZHHOWFJ-SNVBAGLBSA-N 1 0 340.767 1.397 20 5 EDBDRO COc1ccc(CNC(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000268236362 139745897 /nfs/dbraw/zinc/74/58/97/139745897.db2.gz QQWXIMFRXSYUQF-FZMZJTMJSA-N 1 0 336.392 1.695 20 5 EDBDRO COC(=O)c1cnc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420283505 292030148 /nfs/dbraw/zinc/03/01/48/292030148.db2.gz XNSLSQUMUWOMRO-NEPJUHHUSA-N 1 0 334.376 1.602 20 5 EDBDRO CNC(=O)c1ccc(N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000270343248 140082531 /nfs/dbraw/zinc/08/25/31/140082531.db2.gz FNBVGDHZHFJHKL-KGLIPLIRSA-N 1 0 338.433 1.436 20 5 EDBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000270366483 140086978 /nfs/dbraw/zinc/08/69/78/140086978.db2.gz IOPUJYLMLYEYIU-UHFFFAOYSA-N 1 0 344.371 1.765 20 5 EDBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000270489153 140109831 /nfs/dbraw/zinc/10/98/31/140109831.db2.gz UFRVSNPBKHQMKC-CXAGYDPISA-N 1 0 349.387 1.905 20 5 EDBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000270781593 140167871 /nfs/dbraw/zinc/16/78/71/140167871.db2.gz UEEXYPYIWKZUOT-RYUDHWBXSA-N 1 0 337.424 1.815 20 5 EDBDRO Cc1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC000270803594 140172256 /nfs/dbraw/zinc/17/22/56/140172256.db2.gz OAWMRNVYLLATOD-UHFFFAOYSA-N 1 0 347.375 1.829 20 5 EDBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2nn(C)cc2[N+](=O)[O-])o1 ZINC000270854421 140183512 /nfs/dbraw/zinc/18/35/12/140183512.db2.gz YNLWYKDTOYQEJL-UHFFFAOYSA-N 1 0 335.364 1.434 20 5 EDBDRO O=C(NCC[NH+]1CCCCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000271351057 140283498 /nfs/dbraw/zinc/28/34/98/140283498.db2.gz WBRAZLYXQSTUCZ-UHFFFAOYSA-N 1 0 335.389 1.815 20 5 EDBDRO CC[NH+](CC)CCCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000272373640 140445234 /nfs/dbraw/zinc/44/52/34/140445234.db2.gz AIMQMYKRPQCOMW-UHFFFAOYSA-N 1 0 343.449 1.789 20 5 EDBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000331375466 141013418 /nfs/dbraw/zinc/01/34/18/141013418.db2.gz GRIHLFWUQAWMPO-VIFPVBQESA-N 1 0 325.315 1.768 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416371410 304312200 /nfs/dbraw/zinc/31/22/00/304312200.db2.gz LVUPZYDKPZDWGG-CYBMUJFWSA-N 1 0 341.433 1.974 20 5 EDBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000331961809 141103640 /nfs/dbraw/zinc/10/36/40/141103640.db2.gz BCMBFRAMKARZMC-PMPSAXMXSA-N 1 0 349.431 1.893 20 5 EDBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000332560033 141203289 /nfs/dbraw/zinc/20/32/89/141203289.db2.gz QJXKDSSHVXKUIV-CYBMUJFWSA-N 1 0 338.412 1.211 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000345714874 143124747 /nfs/dbraw/zinc/12/47/47/143124747.db2.gz ZRYGVDJCLGRABC-UKRRQHHQSA-N 1 0 340.401 1.421 20 5 EDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000345923001 143147430 /nfs/dbraw/zinc/14/74/30/143147430.db2.gz PSYGWBDFDKMEIN-UONOGXRCSA-N 1 0 334.420 1.972 20 5 EDBDRO C[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C(N)=O ZINC000346639510 143225008 /nfs/dbraw/zinc/22/50/08/143225008.db2.gz DMQTZYSNNVTCDI-IINYFYTJSA-N 1 0 330.344 1.803 20 5 EDBDRO COC(=O)c1cc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc([N+](=O)[O-])c1 ZINC000347947645 143382472 /nfs/dbraw/zinc/38/24/72/143382472.db2.gz MBEFTKAIFHDQIK-HNNXBMFYSA-N 1 0 347.371 1.548 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(C)(C)C[NH+](C)C ZINC000416506328 304326182 /nfs/dbraw/zinc/32/61/82/304326182.db2.gz GEEBKLJYKZXMRG-UHFFFAOYSA-N 1 0 331.394 1.222 20 5 EDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000350779643 143553033 /nfs/dbraw/zinc/55/30/33/143553033.db2.gz AHDHYCDFJUXNRK-MASHWEEQSA-N 1 0 326.374 1.011 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351137974 143563781 /nfs/dbraw/zinc/56/37/81/143563781.db2.gz DYSIWDBUJMYJMI-SNVBAGLBSA-N 1 0 340.355 1.519 20 5 EDBDRO C[C@H](C(=O)N1CCCCC1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369693844 155137346 /nfs/dbraw/zinc/13/73/46/155137346.db2.gz VUEMKJWFTAJMAD-CYBMUJFWSA-N 1 0 335.408 1.829 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000573334708 306619037 /nfs/dbraw/zinc/61/90/37/306619037.db2.gz YEYSPAUGFHVWRF-AWEZNQCLSA-N 1 0 346.387 1.538 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352692801 149118125 /nfs/dbraw/zinc/11/81/25/149118125.db2.gz GWFZVYSLTXKNCS-KBPBESRZSA-N 1 0 337.376 1.777 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000353101700 149287249 /nfs/dbraw/zinc/28/72/49/149287249.db2.gz YFFDAVPZUQJIKP-OAHLLOKOSA-N 1 0 341.433 1.807 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]C(C)(C)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000353242457 149337105 /nfs/dbraw/zinc/33/71/05/149337105.db2.gz YRZHSHBVCVIFIY-SNVBAGLBSA-N 1 0 326.349 1.396 20 5 EDBDRO CN(Cc1c([N+](=O)[O-])ncn1C)C[C@H](O)COCc1ccccc1 ZINC000355337585 150222434 /nfs/dbraw/zinc/22/24/34/150222434.db2.gz XRVIIVKOHRPEFD-AWEZNQCLSA-N 1 0 334.376 1.338 20 5 EDBDRO [NH3+]CC[C@H]1CCCCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000357362447 151008113 /nfs/dbraw/zinc/00/81/13/151008113.db2.gz MYDFNOKCTGMEPN-CYBMUJFWSA-N 1 0 349.387 1.638 20 5 EDBDRO COc1ccc(CSCC(=O)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000357860209 151175271 /nfs/dbraw/zinc/17/52/71/151175271.db2.gz BVVMCUSWFOYLGK-NSHDSACASA-N 1 0 341.433 1.903 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000357991116 151225608 /nfs/dbraw/zinc/22/56/08/151225608.db2.gz SIIGZZOEOSGQSF-GFCCVEGCSA-N 1 0 344.375 1.199 20 5 EDBDRO C[C@@H](C(=O)NC[C@]1(O)CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000358055442 151249888 /nfs/dbraw/zinc/24/98/88/151249888.db2.gz MEVHDRIEFZVIFN-MEBBXXQBSA-N 1 0 325.340 1.020 20 5 EDBDRO [NH3+]C[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000358132082 151283154 /nfs/dbraw/zinc/28/31/54/151283154.db2.gz CRXPQHRIJRBLMP-AWEZNQCLSA-N 1 0 332.360 1.452 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2c(F)cccc2Cl)c1 ZINC000573913699 306638133 /nfs/dbraw/zinc/63/81/33/306638133.db2.gz DUGPFVKOPVNGOQ-SNVBAGLBSA-N 1 0 328.731 1.735 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000573977534 306639520 /nfs/dbraw/zinc/63/95/20/306639520.db2.gz VXOIUEBDFKOZEV-UHFFFAOYSA-N 1 0 334.376 1.429 20 5 EDBDRO CNc1c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000360957311 152263005 /nfs/dbraw/zinc/26/30/05/152263005.db2.gz YXSXFLBHONMHJK-GFCCVEGCSA-N 1 0 336.392 1.213 20 5 EDBDRO Cc1cc(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000361010225 152277875 /nfs/dbraw/zinc/27/78/75/152277875.db2.gz BXQBEYIWHAJWQL-MRXNPFEDSA-N 1 0 346.431 1.755 20 5 EDBDRO CCO[C@@H]1COCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000362024267 152589686 /nfs/dbraw/zinc/58/96/86/152589686.db2.gz JGRDTYCEWQECQH-XJKCOSOUSA-N 1 0 340.376 1.118 20 5 EDBDRO COCCC[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000370161633 155355707 /nfs/dbraw/zinc/35/57/07/155355707.db2.gz LDNFJTWLKZUPEN-UHFFFAOYSA-N 1 0 336.392 1.361 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000417188170 304382502 /nfs/dbraw/zinc/38/25/02/304382502.db2.gz VORYTOOEMWSPDX-UHFFFAOYSA-N 1 0 348.403 1.889 20 5 EDBDRO COC(=O)c1ccc(CN2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000364329092 153206661 /nfs/dbraw/zinc/20/66/61/153206661.db2.gz PQBKDMKCJWCOLN-LBPRGKRZSA-N 1 0 333.348 1.743 20 5 EDBDRO Cc1cc(C(=O)N2CCC[N@H+](CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000364592914 153281490 /nfs/dbraw/zinc/28/14/90/153281490.db2.gz UULKWYUGQQBJFH-UHFFFAOYSA-N 1 0 335.404 1.822 20 5 EDBDRO COc1cc(CN2CCC[N@@H+]([C@H](C)CO)CC2)c([N+](=O)[O-])cc1F ZINC000364913637 153368303 /nfs/dbraw/zinc/36/83/03/153368303.db2.gz HJHNUNXBPFETRE-GFCCVEGCSA-N 1 0 341.383 1.631 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000420149183 292286018 /nfs/dbraw/zinc/28/60/18/292286018.db2.gz HNHGROQIAIWVSB-AWEZNQCLSA-N 1 0 332.404 1.551 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1C ZINC000368635971 292291602 /nfs/dbraw/zinc/29/16/02/292291602.db2.gz GPHKVSFNYULJQD-OLZOCXBDSA-N 1 0 339.417 1.584 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)c1C ZINC000262753964 292291682 /nfs/dbraw/zinc/29/16/82/292291682.db2.gz HEIRIGANPQAECP-RYUDHWBXSA-N 1 0 327.406 1.583 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1C ZINC000368635972 292291706 /nfs/dbraw/zinc/29/17/06/292291706.db2.gz GPHKVSFNYULJQD-QWHCGFSZSA-N 1 0 339.417 1.584 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000574432253 306650804 /nfs/dbraw/zinc/65/08/04/306650804.db2.gz LQMHAZMRLCHQTK-CABCVRRESA-N 1 0 344.367 1.928 20 5 EDBDRO O=C(CC[NH2+][C@H]1CCC(=O)NC12CCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000367166361 154027246 /nfs/dbraw/zinc/02/72/46/154027246.db2.gz ZKOTWLFCWCUATO-AWEZNQCLSA-N 1 0 346.387 1.714 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000367581676 154185748 /nfs/dbraw/zinc/18/57/48/154185748.db2.gz FCXCIKBCYWMUQQ-TZMCWYRMSA-N 1 0 339.417 1.618 20 5 EDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000367832551 154289422 /nfs/dbraw/zinc/28/94/22/154289422.db2.gz OIYHQUABHCXDRO-CYBMUJFWSA-N 1 0 325.390 1.156 20 5 EDBDRO COc1ccc(CSCC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000368196180 154452403 /nfs/dbraw/zinc/45/24/03/154452403.db2.gz ZNARNPNKUZLICU-HBYGRHMLSA-N 1 0 337.401 1.171 20 5 EDBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000371825610 156124923 /nfs/dbraw/zinc/12/49/23/156124923.db2.gz WUMBBYPPAPWYEN-DLBZAZTESA-N 1 0 335.404 1.777 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)ccc1[N+](=O)[O-] ZINC000373053365 156656998 /nfs/dbraw/zinc/65/69/98/156656998.db2.gz SRJLKGKXGKHREL-DGCLKSJQSA-N 1 0 335.360 1.193 20 5 EDBDRO Cc1cc(OCC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000373979084 157092006 /nfs/dbraw/zinc/09/20/06/157092006.db2.gz VBXMSLQZVHFEIM-CQSZACIVSA-N 1 0 333.388 1.979 20 5 EDBDRO C[C@]1(c2ccccc2)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000378127277 158086789 /nfs/dbraw/zinc/08/67/89/158086789.db2.gz PIXBNCIETPVKKP-SJORKVTESA-N 1 0 330.388 1.816 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000269243418 286918534 /nfs/dbraw/zinc/91/85/34/286918534.db2.gz DFMNEBRRSCXEQM-GHMZBOCLSA-N 1 0 335.360 1.565 20 5 EDBDRO C[NH+](C)C1(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000074162688 287268642 /nfs/dbraw/zinc/26/86/42/287268642.db2.gz CHDWRMDFFDJEHU-VOTSOKGWSA-N 1 0 333.388 1.835 20 5 EDBDRO Cn1cc(C[NH+]2CCC(C(N)=O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000158578980 225047136 /nfs/dbraw/zinc/04/71/36/225047136.db2.gz CNBDHROBKKWTCF-UHFFFAOYSA-N 1 0 343.387 1.693 20 5 EDBDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1[nH]ncc1[N+](=O)[O-] ZINC000122320379 222061473 /nfs/dbraw/zinc/06/14/73/222061473.db2.gz UCWWHSHNKAECLT-UHFFFAOYSA-N 1 0 329.360 1.844 20 5 EDBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000122440700 222089517 /nfs/dbraw/zinc/08/95/17/222089517.db2.gz HVOKPVQBSYFLJT-CQSZACIVSA-N 1 0 348.447 1.907 20 5 EDBDRO COc1cc(S(=O)(=O)N[C@H]2CC[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000262757276 273017927 /nfs/dbraw/zinc/01/79/27/273017927.db2.gz DZLTWHRAVXBAAT-ZJUUUORDSA-N 1 0 329.378 1.022 20 5 EDBDRO C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000274589473 268164527 /nfs/dbraw/zinc/16/45/27/268164527.db2.gz DYXOEXDGZLDGLX-ABAIWWIYSA-N 1 0 331.376 1.750 20 5 EDBDRO CC(C)[C@@H](CCO)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000274619408 268170455 /nfs/dbraw/zinc/17/04/55/268170455.db2.gz RFEJDPHGBDVFBC-SNVBAGLBSA-N 1 0 339.348 1.259 20 5 EDBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000274829611 268216596 /nfs/dbraw/zinc/21/65/96/268216596.db2.gz QRXQLEXVUPTSTL-GJZGRUSLSA-N 1 0 346.387 1.068 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000276932165 273169955 /nfs/dbraw/zinc/16/99/55/273169955.db2.gz AGFMLPSEALZORB-NSHDSACASA-N 1 0 345.396 1.839 20 5 EDBDRO CCOc1cc(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000276940731 273170765 /nfs/dbraw/zinc/17/07/65/273170765.db2.gz SDBMVWYFUXMTNH-UONOGXRCSA-N 1 0 337.420 1.880 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000277127452 273181702 /nfs/dbraw/zinc/18/17/02/273181702.db2.gz ZIQWESWNSPKEAE-AWEZNQCLSA-N 1 0 341.433 1.841 20 5 EDBDRO CN(C)c1cc(F)c(C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000279112808 273280637 /nfs/dbraw/zinc/28/06/37/273280637.db2.gz CDILHFULYZLJRA-LLVKDONJSA-N 1 0 338.383 1.824 20 5 EDBDRO O=C(C[NH2+][C@H]1CCC[C@@H]1CCO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000279238202 273287143 /nfs/dbraw/zinc/28/71/43/273287143.db2.gz JTQLMFZYHXRQMW-DOMZBBRYSA-N 1 0 333.388 1.625 20 5 EDBDRO O=C(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)NCC(F)F ZINC000280897497 273412388 /nfs/dbraw/zinc/41/23/88/273412388.db2.gz PLWSLRUKRCVIBV-LBPRGKRZSA-N 1 0 327.331 1.887 20 5 EDBDRO COc1ccc(NC(=O)CC[NH2+][C@@](C)(CN)C2CC2)c([N+](=O)[O-])c1 ZINC000420287664 274113736 /nfs/dbraw/zinc/11/37/36/274113736.db2.gz IILPCKUGHHHIBV-INIZCTEOSA-N 1 0 336.392 1.649 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)[C@@H]2C1 ZINC000284462740 274210969 /nfs/dbraw/zinc/21/09/69/274210969.db2.gz AOHMWNSZYQUFME-HZPDHXFCSA-N 1 0 349.387 1.366 20 5 EDBDRO Cn1nccc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000284633669 274272838 /nfs/dbraw/zinc/27/28/38/274272838.db2.gz UEHAUEMLTIDHJM-CZUORRHYSA-N 1 0 329.360 1.438 20 5 EDBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000331430309 274310573 /nfs/dbraw/zinc/31/05/73/274310573.db2.gz LYYJRWUIDFHLRQ-MCIONIFRSA-N 1 0 347.419 1.875 20 5 EDBDRO C[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C(N)=O ZINC000331651544 274360031 /nfs/dbraw/zinc/36/00/31/274360031.db2.gz ZNTMUWCSPXEPOL-HONMWMINSA-N 1 0 332.360 1.803 20 5 EDBDRO CC1(C)C[N@@H+](C2(CNC(=O)[C@H]3C[C@H]3[N+](=O)[O-])CCCCC2)CCO1 ZINC000373963239 276131311 /nfs/dbraw/zinc/13/13/11/276131311.db2.gz KNVXNACAULMAQL-UONOGXRCSA-N 1 0 339.436 1.582 20 5 EDBDRO CC(C)(C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000343174343 277124820 /nfs/dbraw/zinc/12/48/20/277124820.db2.gz JYGJVNMEBBEUJN-AWEZNQCLSA-N 1 0 349.431 1.835 20 5 EDBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000253357502 278259147 /nfs/dbraw/zinc/25/91/47/278259147.db2.gz BPFZDCTZXKKHHC-STQMWFEESA-N 1 0 348.403 1.770 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000286738315 288074447 /nfs/dbraw/zinc/07/44/47/288074447.db2.gz KMMXZLSYJQJUKX-GFCCVEGCSA-N 1 0 338.795 1.368 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@@H](C)C1 ZINC000286789984 288088110 /nfs/dbraw/zinc/08/81/10/288088110.db2.gz JQXOKSDTOQKOGZ-QWRGUYRKSA-N 1 0 347.375 1.135 20 5 EDBDRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000236720912 279069553 /nfs/dbraw/zinc/06/95/53/279069553.db2.gz FCSSWCKBRVCBLB-AWEZNQCLSA-N 1 0 329.422 1.778 20 5 EDBDRO O=C(C[NH+]1CCCC1)N1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000342058796 279765105 /nfs/dbraw/zinc/76/51/05/279765105.db2.gz SFUPVBMVLCDBFK-UHFFFAOYSA-N 1 0 336.367 1.478 20 5 EDBDRO C[C@](C[NH3+])(NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000237622750 280140017 /nfs/dbraw/zinc/14/00/17/280140017.db2.gz FHFSIHHZNBCEGE-MRXNPFEDSA-N 1 0 329.360 1.638 20 5 EDBDRO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000362564436 280167336 /nfs/dbraw/zinc/16/73/36/280167336.db2.gz KSZVFCBFFGDBIZ-LLVKDONJSA-N 1 0 327.344 1.598 20 5 EDBDRO Cc1c(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000272323638 280209634 /nfs/dbraw/zinc/20/96/34/280209634.db2.gz ULBFXCHEZUDOCX-WDEREUQCSA-N 1 0 336.348 1.929 20 5 EDBDRO Cc1c(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000237848356 280218866 /nfs/dbraw/zinc/21/88/66/280218866.db2.gz CNNBBJUDQUZPOK-RISCZKNCSA-N 1 0 344.375 1.341 20 5 EDBDRO CC[C@@H](C)[N@H+](CCO)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000287593084 288273079 /nfs/dbraw/zinc/27/30/79/288273079.db2.gz YJALVXZTULOAND-LLVKDONJSA-N 1 0 325.365 1.635 20 5 EDBDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000288639810 288533976 /nfs/dbraw/zinc/53/39/76/288533976.db2.gz XGAFGLPMCIFZMQ-GFCCVEGCSA-N 1 0 346.387 1.653 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CO)C1CCCC1 ZINC000289421119 288696540 /nfs/dbraw/zinc/69/65/40/288696540.db2.gz CCZAEMJOGQEPHK-CQSZACIVSA-N 1 0 337.376 1.683 20 5 EDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCn1cc(CO)nn1)CCC2 ZINC000289769768 288775569 /nfs/dbraw/zinc/77/55/69/288775569.db2.gz MBSJTZORDMTVPD-INIZCTEOSA-N 1 0 331.376 1.736 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291753531 289171352 /nfs/dbraw/zinc/17/13/52/289171352.db2.gz KRLREDPCPPFASG-VXGBXAGGSA-N 1 0 346.330 1.284 20 5 EDBDRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000292405951 289337720 /nfs/dbraw/zinc/33/77/20/289337720.db2.gz LQEMARSVRVDCSB-HUUCEWRRSA-N 1 0 342.417 1.919 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000419159152 304572724 /nfs/dbraw/zinc/57/27/24/304572724.db2.gz FVMGKPBEABSAFV-ZOWXZIJZSA-N 1 0 348.403 1.358 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000419272518 304585221 /nfs/dbraw/zinc/58/52/21/304585221.db2.gz PWMKHQIBLJZDDT-OCCSQVGLSA-N 1 0 348.403 1.420 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422017304 447310341 /nfs/dbraw/zinc/31/03/41/447310341.db2.gz HRQHDECJHWCGLW-WFASDCNBSA-N 1 0 348.403 1.266 20 5 EDBDRO [NH3+]C[C@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCCO1 ZINC000420276155 304742242 /nfs/dbraw/zinc/74/22/42/304742242.db2.gz RCXWVFHVELFVBA-ZDUSSCGKSA-N 1 0 334.376 1.041 20 5 EDBDRO C[C@@H]1[NH2+]CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000420301714 304746455 /nfs/dbraw/zinc/74/64/55/304746455.db2.gz AVKSJBGUYLSRLH-RYUDHWBXSA-N 1 0 327.406 1.051 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000420440561 304758018 /nfs/dbraw/zinc/75/80/18/304758018.db2.gz UJARSKGZMDRMHI-JQWIXIFHSA-N 1 0 327.406 1.630 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000293407096 302959450 /nfs/dbraw/zinc/95/94/50/302959450.db2.gz MXSIQLXUMSDCGD-YPMHNXCESA-N 1 0 349.387 1.826 20 5 EDBDRO COC(=O)C1CCN(C(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000294950595 303156436 /nfs/dbraw/zinc/15/64/36/303156436.db2.gz ARHZYEQAZSVMLI-LBPRGKRZSA-N 1 0 349.387 1.657 20 5 EDBDRO CC[C@H]([NH3+])CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000295143928 303178956 /nfs/dbraw/zinc/17/89/56/303178956.db2.gz BYRSDWVJYSVYPC-ZETCQYMHSA-N 1 0 333.291 1.672 20 5 EDBDRO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262032152 303381353 /nfs/dbraw/zinc/38/13/53/303381353.db2.gz ODJGSJAXVHEBAY-UHFFFAOYSA-N 1 0 349.412 1.787 20 5 EDBDRO Cc1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000297875267 303460296 /nfs/dbraw/zinc/46/02/96/303460296.db2.gz MYXLETNHZYRLJM-UHFFFAOYSA-N 1 0 348.403 1.832 20 5 EDBDRO C[C@@H](NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000424098692 304928866 /nfs/dbraw/zinc/92/88/66/304928866.db2.gz LFBJQERXCBYZAF-RISCZKNCSA-N 1 0 344.375 1.602 20 5 EDBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H]1CCn2ccnc2C1 ZINC000427992756 305003236 /nfs/dbraw/zinc/00/32/36/305003236.db2.gz MVXNUEXGDIWOJP-CYBMUJFWSA-N 1 0 339.355 1.877 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000428127849 305007749 /nfs/dbraw/zinc/00/77/49/305007749.db2.gz HVNVYLRAVKYKPB-AAEUAGOBSA-N 1 0 349.387 1.637 20 5 EDBDRO CCCC[C@H](C[NH3+])NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000429631922 305033510 /nfs/dbraw/zinc/03/35/10/305033510.db2.gz YLMPLQCMCDAVAN-GFCCVEGCSA-N 1 0 337.376 1.542 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000430612403 305058938 /nfs/dbraw/zinc/05/89/38/305058938.db2.gz REFFXFKLVKPCTA-ZDUSSCGKSA-N 1 0 332.404 1.415 20 5 EDBDRO C[C@H]([NH3+])C1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000430918610 305068037 /nfs/dbraw/zinc/06/80/37/305068037.db2.gz IGPQUALPTLPKBF-LBPRGKRZSA-N 1 0 332.404 1.543 20 5 EDBDRO C[NH2+]C1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000430946427 305070059 /nfs/dbraw/zinc/07/00/59/305070059.db2.gz VYPLHDGFODMHQO-UHFFFAOYSA-N 1 0 326.784 1.871 20 5 EDBDRO CC(C)([NH3+])c1noc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000431090119 305074760 /nfs/dbraw/zinc/07/47/60/305074760.db2.gz XLHHPCMOBPDUKC-UHFFFAOYSA-N 1 0 346.391 1.494 20 5 EDBDRO CNC(=O)C[NH+]1CCC(Nc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432333622 305091562 /nfs/dbraw/zinc/09/15/62/305091562.db2.gz CNLIWHGHYZOOAR-UHFFFAOYSA-N 1 0 343.387 1.765 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[NH2+][C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000436055850 305151498 /nfs/dbraw/zinc/15/14/98/305151498.db2.gz BVZULXJPHLUGDF-NWDGAFQWSA-N 1 0 336.392 1.614 20 5 EDBDRO COc1cc(S(=O)(=O)N2CCC[C@H](C)[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000440414505 305206219 /nfs/dbraw/zinc/20/62/19/305206219.db2.gz ZKZNRFJIZNZCFR-GXFFZTMASA-N 1 0 343.405 1.351 20 5 EDBDRO C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000440418173 305206314 /nfs/dbraw/zinc/20/63/14/305206314.db2.gz RWIUKUZRUBCQAJ-WCBMZHEXSA-N 1 0 333.797 1.606 20 5 EDBDRO C[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000440422583 305206401 /nfs/dbraw/zinc/20/64/01/305206401.db2.gz NDQFWZHWMDQVEG-CABZTGNLSA-N 1 0 347.824 1.996 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC(C[NH3+])CC2)c1[N+](=O)[O-] ZINC000440730543 305211882 /nfs/dbraw/zinc/21/18/82/305211882.db2.gz ITNGDJIFDMWTFT-UHFFFAOYSA-N 1 0 327.406 1.571 20 5 EDBDRO C[C@@H]1C[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000443789124 305241497 /nfs/dbraw/zinc/24/14/97/305241497.db2.gz XWORSKOSBPTGPK-YPMHNXCESA-N 1 0 327.406 1.497 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)n1 ZINC000447732334 305284650 /nfs/dbraw/zinc/28/46/50/305284650.db2.gz VTILDVCBQMSUHV-GFCCVEGCSA-N 1 0 345.359 1.966 20 5 EDBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000451247842 305335235 /nfs/dbraw/zinc/33/52/35/305335235.db2.gz AKCQQZMXJUXYCE-GXTWGEPZSA-N 1 0 349.387 1.986 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000451305890 305337938 /nfs/dbraw/zinc/33/79/38/305337938.db2.gz XBEFKFPCRUOIRQ-FRFSOERESA-N 1 0 336.388 1.835 20 5 EDBDRO COc1cc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])cc1F ZINC000452127829 305384463 /nfs/dbraw/zinc/38/44/63/305384463.db2.gz TYDPVKJUNAKBHI-INIZCTEOSA-N 1 0 337.351 1.910 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452371565 305394062 /nfs/dbraw/zinc/39/40/62/305394062.db2.gz ARZMHAPEMDNDIA-LBPRGKRZSA-N 1 0 337.376 1.180 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000533019581 305994154 /nfs/dbraw/zinc/99/41/54/305994154.db2.gz PFNUYZHZBWWGIO-OSAQELSMSA-N 1 0 336.392 1.257 20 5 EDBDRO C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000548416004 306127582 /nfs/dbraw/zinc/12/75/82/306127582.db2.gz AFMVAAYHRFSALV-UHFFFAOYSA-N 1 0 341.387 1.691 20 5 EDBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000549729854 306147939 /nfs/dbraw/zinc/14/79/39/306147939.db2.gz SKHHTLYOGNQAQQ-UHFFFAOYSA-N 1 0 348.403 1.091 20 5 EDBDRO CC[C@@H]1CN(C)CCN1C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000551906537 306167508 /nfs/dbraw/zinc/16/75/08/306167508.db2.gz IJDCDAIWMWYAAS-CYBMUJFWSA-N 1 0 334.376 1.394 20 5 EDBDRO COC(=O)c1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c[nH]1 ZINC000425957402 447367702 /nfs/dbraw/zinc/36/77/02/447367702.db2.gz BQVBSUFYMZWBED-UHFFFAOYSA-N 1 0 333.348 1.743 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000493740500 447383581 /nfs/dbraw/zinc/38/35/81/447383581.db2.gz UUHVRZIONGUNIE-LBPRGKRZSA-N 1 0 327.406 1.584 20 5 EDBDRO COc1cc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000449638488 447382566 /nfs/dbraw/zinc/38/25/66/447382566.db2.gz KWBXIMAFUICZSN-GHMZBOCLSA-N 1 0 337.376 1.859 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000493740499 447383212 /nfs/dbraw/zinc/38/32/12/447383212.db2.gz UUHVRZIONGUNIE-GFCCVEGCSA-N 1 0 327.406 1.584 20 5 EDBDRO CC[NH+]1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000057256415 441102944 /nfs/dbraw/zinc/10/29/44/441102944.db2.gz RVMFKJUYHIXJAF-UHFFFAOYSA-N 1 0 338.383 1.491 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000070871467 441125129 /nfs/dbraw/zinc/12/51/29/441125129.db2.gz BDJYKBCLSKRVKV-LLVKDONJSA-N 1 0 335.360 1.580 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000081035597 441225436 /nfs/dbraw/zinc/22/54/36/441225436.db2.gz ODXSRYLSKKKQEY-UHFFFAOYSA-N 1 0 333.388 1.840 20 5 EDBDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000107436888 441416411 /nfs/dbraw/zinc/41/64/11/441416411.db2.gz GQYHSJDXQCSGNL-UHFFFAOYSA-N 1 0 329.422 1.602 20 5 EDBDRO Cn1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1=O ZINC000051855718 441426632 /nfs/dbraw/zinc/42/66/32/441426632.db2.gz VVPLROIIKKDUJX-UHFFFAOYSA-N 1 0 328.372 1.616 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000065882130 441491644 /nfs/dbraw/zinc/49/16/44/441491644.db2.gz MLTUHQRSRQYLCS-UHFFFAOYSA-N 1 0 331.376 1.348 20 5 EDBDRO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000030375374 441491989 /nfs/dbraw/zinc/49/19/89/441491989.db2.gz GJYGDFGDDPJAIU-LBPRGKRZSA-N 1 0 329.422 1.912 20 5 EDBDRO C[C@H](CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000109258021 441492812 /nfs/dbraw/zinc/49/28/12/441492812.db2.gz AQSGRRGBNMXOMQ-CYBMUJFWSA-N 1 0 349.387 1.634 20 5 EDBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000109254851 441492844 /nfs/dbraw/zinc/49/28/44/441492844.db2.gz CYYXJOTXAQSJHA-CYBMUJFWSA-N 1 0 349.387 1.777 20 5 EDBDRO COc1cc(CN2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000029594520 441464034 /nfs/dbraw/zinc/46/40/34/441464034.db2.gz IWPUVMAQOBBTIY-UHFFFAOYSA-N 1 0 331.319 1.952 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC000110815252 441524361 /nfs/dbraw/zinc/52/43/61/441524361.db2.gz YZAPHHLUCZGJPW-UHFFFAOYSA-N 1 0 336.348 1.979 20 5 EDBDRO COCCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000066379040 441526867 /nfs/dbraw/zinc/52/68/67/441526867.db2.gz YOPFYQPQCKJXAB-UHFFFAOYSA-N 1 0 325.365 1.900 20 5 EDBDRO C[C@H](O)C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000075717285 441551369 /nfs/dbraw/zinc/55/13/69/441551369.db2.gz VIJLAHNRPFXDFP-WFASDCNBSA-N 1 0 326.397 1.168 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000109705596 441502473 /nfs/dbraw/zinc/50/24/73/441502473.db2.gz GEYHORUGUHYHBD-SNVBAGLBSA-N 1 0 331.394 1.255 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000075744892 441553602 /nfs/dbraw/zinc/55/36/02/441553602.db2.gz HVWHAMDKUOBUFQ-GOEBONIOSA-N 1 0 332.360 1.306 20 5 EDBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000112921517 441568697 /nfs/dbraw/zinc/56/86/97/441568697.db2.gz JTVRETBSPFXTPA-UHFFFAOYSA-N 1 0 349.435 1.275 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067148661 441611005 /nfs/dbraw/zinc/61/10/05/441611005.db2.gz AQFXHDPKBIGVMO-NSHDSACASA-N 1 0 335.360 1.580 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000033426095 441595744 /nfs/dbraw/zinc/59/57/44/441595744.db2.gz UNMDNSFRRVGIPY-MRXNPFEDSA-N 1 0 335.360 1.438 20 5 EDBDRO CC[C@@H](C)[C@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015402 441614798 /nfs/dbraw/zinc/61/47/98/441614798.db2.gz YAHTWSFPNBZYQU-NEPJUHHUSA-N 1 0 329.422 1.897 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000113943367 441628303 /nfs/dbraw/zinc/62/83/03/441628303.db2.gz XZGJKZWUPRFJLP-UHFFFAOYSA-N 1 0 327.406 1.618 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000114478011 441662343 /nfs/dbraw/zinc/66/23/43/441662343.db2.gz AOGHGCMFYJBVFU-ZDUSSCGKSA-N 1 0 332.404 1.367 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000114479450 441663553 /nfs/dbraw/zinc/66/35/53/441663553.db2.gz KYDRCGXZLIZHML-XJKSGUPXSA-N 1 0 332.404 1.584 20 5 EDBDRO Cc1c(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000158197461 441705066 /nfs/dbraw/zinc/70/50/66/441705066.db2.gz JNECVQZKAVJMDQ-INIZCTEOSA-N 1 0 348.359 1.945 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000077008281 441711189 /nfs/dbraw/zinc/71/11/89/441711189.db2.gz KFOLKQRYOSHNRS-UHFFFAOYSA-N 1 0 335.408 1.623 20 5 EDBDRO C[NH+](C)C(C)(C)CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000042158610 441712508 /nfs/dbraw/zinc/71/25/08/441712508.db2.gz YCMBRHZIYLHIMK-UHFFFAOYSA-N 1 0 331.376 1.851 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000041668588 441667144 /nfs/dbraw/zinc/66/71/44/441667144.db2.gz FYBVTQNERMWQMW-GFCCVEGCSA-N 1 0 348.403 1.690 20 5 EDBDRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000136824972 441726839 /nfs/dbraw/zinc/72/68/39/441726839.db2.gz VLCWPLMOICSASP-UHFFFAOYSA-N 1 0 347.350 1.851 20 5 EDBDRO Cc1cc([N+](=O)[O-])cnc1NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000092641118 441815533 /nfs/dbraw/zinc/81/55/33/441815533.db2.gz DSXPPZNPXDZZFQ-CQSZACIVSA-N 1 0 335.408 1.653 20 5 EDBDRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000077820024 441868948 /nfs/dbraw/zinc/86/89/48/441868948.db2.gz JBJUXBSUELJTEG-UHFFFAOYSA-N 1 0 348.403 1.772 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000173837546 441848094 /nfs/dbraw/zinc/84/80/94/441848094.db2.gz QELUSHYAIQHJLF-OAHLLOKOSA-N 1 0 347.415 1.754 20 5 EDBDRO COc1ccc(NC(=O)CC[N@H+](C)C[C@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000160778470 441920759 /nfs/dbraw/zinc/92/07/59/441920759.db2.gz DHWZZCPNYKNHLU-HNNXBMFYSA-N 1 0 337.376 1.635 20 5 EDBDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000160800319 441922831 /nfs/dbraw/zinc/92/28/31/441922831.db2.gz SBKNBERNXRXLFW-MWLCHTKSSA-N 1 0 327.768 1.836 20 5 EDBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000069137340 441897623 /nfs/dbraw/zinc/89/76/23/441897623.db2.gz CECDKVQCMURVBA-CYBMUJFWSA-N 1 0 341.433 1.913 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000078963821 441999340 /nfs/dbraw/zinc/99/93/40/441999340.db2.gz XULKNUHHUOJXKU-CYBMUJFWSA-N 1 0 333.388 1.920 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCSC3(CCCCC3)C2)c1 ZINC000079503908 442056769 /nfs/dbraw/zinc/05/67/69/442056769.db2.gz CSPYPNFYAPZHMB-AWEZNQCLSA-N 1 0 340.449 1.904 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000151826441 442126787 /nfs/dbraw/zinc/12/67/87/442126787.db2.gz KXNSJWVVMSOKAT-VXGBXAGGSA-N 1 0 346.387 1.583 20 5 EDBDRO C[NH+](C)CCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000170358690 442231479 /nfs/dbraw/zinc/23/14/79/442231479.db2.gz DFJGSQUQKNMRCD-UHFFFAOYSA-N 1 0 328.756 1.255 20 5 EDBDRO CCOC(=O)CCCNC(=O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153296668 442273432 /nfs/dbraw/zinc/27/34/32/442273432.db2.gz MPRKOPVAPZYIKX-UHFFFAOYSA-N 1 0 349.387 1.412 20 5 EDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000177312364 442327318 /nfs/dbraw/zinc/32/73/18/442327318.db2.gz IYLJCKCVFRUHFB-PVAVHDDUSA-N 1 0 349.431 1.893 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000171629334 442364348 /nfs/dbraw/zinc/36/43/48/442364348.db2.gz UXMMURBLUFSRBK-JTQLQIEISA-N 1 0 343.405 1.351 20 5 EDBDRO CC(C)(CNC(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000132808378 442400678 /nfs/dbraw/zinc/40/06/78/442400678.db2.gz QWZKKHPVLDZJQP-UHFFFAOYSA-N 1 0 338.412 1.355 20 5 EDBDRO COCC(C)(C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000178600951 442447181 /nfs/dbraw/zinc/44/71/81/442447181.db2.gz HLCDCZCPZKRPMY-UHFFFAOYSA-N 1 0 325.365 1.947 20 5 EDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000178841296 442499291 /nfs/dbraw/zinc/49/92/91/442499291.db2.gz XUCOJTLJQPPHSW-LBPRGKRZSA-N 1 0 343.387 1.980 20 5 EDBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](CO)C(C)(C)C ZINC000134371631 442474096 /nfs/dbraw/zinc/47/40/96/442474096.db2.gz AKVJWLTZYWURNJ-HNNXBMFYSA-N 1 0 335.404 1.823 20 5 EDBDRO Cc1nn(CCC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000173045254 442593700 /nfs/dbraw/zinc/59/37/00/442593700.db2.gz HSJLBNGJXQEJCL-CYBMUJFWSA-N 1 0 339.440 1.891 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000192502306 442654351 /nfs/dbraw/zinc/65/43/51/442654351.db2.gz VOYRDDOARLSJBX-UHFFFAOYSA-N 1 0 337.424 1.668 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000173243005 442631578 /nfs/dbraw/zinc/63/15/78/442631578.db2.gz SHMHRVXNLWEZJN-JSGCOSHPSA-N 1 0 341.433 1.864 20 5 EDBDRO COc1cccc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000192685449 442676655 /nfs/dbraw/zinc/67/66/55/442676655.db2.gz XKQHPRWFOSRYTJ-ZDUSSCGKSA-N 1 0 349.387 1.398 20 5 EDBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000193266935 442727800 /nfs/dbraw/zinc/72/78/00/442727800.db2.gz VEVAIDFZQRCYPB-GFCCVEGCSA-N 1 0 327.406 1.442 20 5 EDBDRO Cc1c(C(=O)NC2(C)CC[NH2+]CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000193354238 442735109 /nfs/dbraw/zinc/73/51/09/442735109.db2.gz OWGRVBKPGLOBOE-UHFFFAOYSA-N 1 0 344.375 1.356 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000193418488 442741085 /nfs/dbraw/zinc/74/10/85/442741085.db2.gz NQVVPNXFIZQKGO-PELKAZGASA-N 1 0 347.824 1.833 20 5 EDBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000267952459 442797797 /nfs/dbraw/zinc/79/77/97/442797797.db2.gz WXCCGEOQXGQXEV-UHFFFAOYSA-N 1 0 337.376 1.905 20 5 EDBDRO C[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)[N@@H+]1CCC[C@H](C)C1 ZINC000246627570 442797789 /nfs/dbraw/zinc/79/77/89/442797789.db2.gz KEIQQFSFDMMSMN-QWHCGFSZSA-N 1 0 338.412 1.211 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000268124869 442857998 /nfs/dbraw/zinc/85/79/98/442857998.db2.gz AJGXEBSAECYISO-NHYWBVRUSA-N 1 0 332.404 1.873 20 5 EDBDRO COCC[N@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000265658159 442867536 /nfs/dbraw/zinc/86/75/36/442867536.db2.gz RDIULXQYYLNTDB-UHFFFAOYSA-N 1 0 325.365 1.173 20 5 EDBDRO C[S@@](=O)C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000183197906 442900534 /nfs/dbraw/zinc/90/05/34/442900534.db2.gz LYYOQCYCSVNPAE-IZHWHUGBSA-N 1 0 349.412 1.466 20 5 EDBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccoc1 ZINC000178001415 318447258 /nfs/dbraw/zinc/44/72/58/318447258.db2.gz FEYJNWSJUQAXEN-NSHDSACASA-N 1 0 339.373 1.817 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000268181735 442887159 /nfs/dbraw/zinc/88/71/59/442887159.db2.gz LMJXVDFWHFTPAV-DOMZBBRYSA-N 1 0 332.404 1.996 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000183148055 442889379 /nfs/dbraw/zinc/88/93/79/442889379.db2.gz KYDYPXFIWVDBKZ-RYUDHWBXSA-N 1 0 337.376 1.635 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000248454775 442893454 /nfs/dbraw/zinc/89/34/54/442893454.db2.gz KMCXJCBKADFUHR-HIFRSBDPSA-N 1 0 336.388 1.835 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000248820764 442927360 /nfs/dbraw/zinc/92/73/60/442927360.db2.gz BLSHFDQTONJJLJ-AFJNRPGYSA-N 1 0 333.388 1.522 20 5 EDBDRO C[NH+](C)CCN(Cc1cccc(F)c1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000268280086 442929745 /nfs/dbraw/zinc/92/97/45/442929745.db2.gz AVZOKLFKLPOXRG-UHFFFAOYSA-N 1 0 334.355 1.674 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000268298276 442937455 /nfs/dbraw/zinc/93/74/55/442937455.db2.gz NYHGVHLBXHXGQP-QMTHXVAHSA-N 1 0 334.376 1.250 20 5 EDBDRO COc1cc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc([N+](=O)[O-])c1OC ZINC000265932730 442974742 /nfs/dbraw/zinc/97/47/42/442974742.db2.gz GLWUBAYFMASXBR-JTQLQIEISA-N 1 0 337.376 1.825 20 5 EDBDRO COCC[NH+]1CCC(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000195186129 442994349 /nfs/dbraw/zinc/99/43/49/442994349.db2.gz BQFFAUOCUNIMGK-UHFFFAOYSA-N 1 0 346.387 1.917 20 5 EDBDRO C[C@@H]1CCC[C@](CNC(=O)c2cc([N+](=O)[O-])cnc2N)([NH+](C)C)C1 ZINC000183691724 442953283 /nfs/dbraw/zinc/95/32/83/442953283.db2.gz YSNBTIYLHAUSOM-BZNIZROVSA-N 1 0 335.408 1.812 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000189960691 443038090 /nfs/dbraw/zinc/03/80/90/443038090.db2.gz XSTTTZISRFCWKW-CYBMUJFWSA-N 1 0 341.433 1.926 20 5 EDBDRO C[NH+](C)CCN1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000255127493 443086100 /nfs/dbraw/zinc/08/61/00/443086100.db2.gz HMYANISAAYQWHR-YVMONPNESA-N 1 0 332.404 1.314 20 5 EDBDRO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000266242241 443071140 /nfs/dbraw/zinc/07/11/40/443071140.db2.gz WGCXCKZDROIRNK-AWEZNQCLSA-N 1 0 327.406 1.451 20 5 EDBDRO CN(C(=O)CN1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000298806819 318849735 /nfs/dbraw/zinc/84/97/35/318849735.db2.gz QFAAREFNCYGGSD-UHFFFAOYSA-N 1 0 332.404 1.585 20 5 EDBDRO O=C(CC[C@H]1CCC[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000261682245 443164763 /nfs/dbraw/zinc/16/47/63/443164763.db2.gz MVQNRKFJAVFXGI-CQSZACIVSA-N 1 0 332.404 1.776 20 5 EDBDRO COc1ccc(OCC[NH+]2CCC3(CC2)OCCO3)c([N+](=O)[O-])c1 ZINC000266566874 443170675 /nfs/dbraw/zinc/17/06/75/443170675.db2.gz ZYQJKYHAONLZEV-UHFFFAOYSA-N 1 0 338.360 1.821 20 5 EDBDRO C[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000261980410 443178478 /nfs/dbraw/zinc/17/84/78/443178478.db2.gz AHOSDKGUNVMEGU-CABZTGNLSA-N 1 0 331.369 1.482 20 5 EDBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCN3CCOCC3)CC2)cc1 ZINC000266603804 443183345 /nfs/dbraw/zinc/18/33/45/443183345.db2.gz SAKKSNMIEOJNBG-UHFFFAOYSA-N 1 0 335.404 1.770 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000262325006 443189997 /nfs/dbraw/zinc/18/99/97/443189997.db2.gz ROSUPWOXCWJBHW-CQSZACIVSA-N 1 0 327.406 1.571 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000411222574 319171096 /nfs/dbraw/zinc/17/10/96/319171096.db2.gz HCVOHLCBOVGHQY-LLVKDONJSA-N 1 0 339.367 1.886 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000185971069 443292304 /nfs/dbraw/zinc/29/23/04/443292304.db2.gz BRYGGAGISNCROG-WFASDCNBSA-N 1 0 339.417 1.700 20 5 EDBDRO C[NH+](C)CCCC1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000185818221 443262784 /nfs/dbraw/zinc/26/27/84/443262784.db2.gz KRICOQDZXGNPKI-UHFFFAOYSA-N 1 0 335.408 1.766 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000272451648 443322910 /nfs/dbraw/zinc/32/29/10/443322910.db2.gz JVIZHUDNFWYQQE-DOMZBBRYSA-N 1 0 341.433 1.349 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000264568404 443330091 /nfs/dbraw/zinc/33/00/91/443330091.db2.gz RXGSHTCHNCCDRO-GFCCVEGCSA-N 1 0 339.417 1.767 20 5 EDBDRO CC(C)C[C@H](C[NH3+])NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418452293 319501698 /nfs/dbraw/zinc/50/16/98/319501698.db2.gz XGKKDLKQZXVYEO-CYBMUJFWSA-N 1 0 336.392 1.872 20 5 EDBDRO Cc1n[nH]c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000269669585 443387752 /nfs/dbraw/zinc/38/77/52/443387752.db2.gz JZQXJZXXMXPACP-YPMHNXCESA-N 1 0 333.392 1.715 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000282518448 443362886 /nfs/dbraw/zinc/36/28/86/443362886.db2.gz OMXATTLZNQACTQ-SNVBAGLBSA-N 1 0 338.339 1.191 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000420439207 319619977 /nfs/dbraw/zinc/61/99/77/319619977.db2.gz FTESWXHSEZDYFG-LLVKDONJSA-N 1 0 343.405 1.414 20 5 EDBDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000278700017 443405572 /nfs/dbraw/zinc/40/55/72/443405572.db2.gz QUDDJNYUIGLCDZ-XPTSAGLGSA-N 1 0 332.303 1.826 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@]3(CNC(=O)C3)C2)cccc1[N+](=O)[O-] ZINC000278826721 443454560 /nfs/dbraw/zinc/45/45/60/443454560.db2.gz IBQATRNBHQMCOI-KRWDZBQOSA-N 1 0 346.387 1.444 20 5 EDBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1Br ZINC000272978149 443508554 /nfs/dbraw/zinc/50/85/54/443508554.db2.gz CMXUSSAHEYLNEL-MRVPVSSYSA-N 1 0 328.166 1.697 20 5 EDBDRO C[C@@H](CCC[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000423676412 319801040 /nfs/dbraw/zinc/80/10/40/319801040.db2.gz GEONTIYWBJUAOG-LBPRGKRZSA-N 1 0 336.392 1.289 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000272321464 443591097 /nfs/dbraw/zinc/59/10/97/443591097.db2.gz UDEURXYQUUASMV-MNOVXSKESA-N 1 0 337.376 1.811 20 5 EDBDRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272271947 443575735 /nfs/dbraw/zinc/57/57/35/443575735.db2.gz RZNSUXWCUIRRNP-VIFPVBQESA-N 1 0 335.389 1.623 20 5 EDBDRO COc1ccc(S(=O)(=O)NCC2=CC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000272292760 443582170 /nfs/dbraw/zinc/58/21/70/443582170.db2.gz VNCGFHUGGBZQGH-UHFFFAOYSA-N 1 0 341.389 1.144 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000440806524 320080683 /nfs/dbraw/zinc/08/06/83/320080683.db2.gz SCPHNKQDANDKRM-LBPRGKRZSA-N 1 0 341.433 1.907 20 5 EDBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCC[NH+]1CCCC1 ZINC000447806333 320145429 /nfs/dbraw/zinc/14/54/29/320145429.db2.gz MLWQLDUETUGDCP-UHFFFAOYSA-N 1 0 334.420 1.935 20 5 EDBDRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000449197748 320178090 /nfs/dbraw/zinc/17/80/90/320178090.db2.gz XKDQJIFTJWKTRM-TZMCWYRMSA-N 1 0 345.403 1.868 20 5 EDBDRO COC[C@@](C)(O)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000449384922 320186158 /nfs/dbraw/zinc/18/61/58/320186158.db2.gz OZGWJDQEYZFIQT-KRWDZBQOSA-N 1 0 348.403 1.872 20 5 EDBDRO COC[C@@](C)(O)CC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449386324 320187165 /nfs/dbraw/zinc/18/71/65/320187165.db2.gz TUVZSHFYAACBQS-LRDDRELGSA-N 1 0 339.392 1.689 20 5 EDBDRO CCN1C[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000449519952 320193558 /nfs/dbraw/zinc/19/35/58/320193558.db2.gz RJYSLKRCDMGSIC-DGCLKSJQSA-N 1 0 334.376 1.522 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC3(CCC(O)CC3)CC2)c1 ZINC000451145662 320226046 /nfs/dbraw/zinc/22/60/46/320226046.db2.gz KYKYOYQBHDEVND-HNNXBMFYSA-N 1 0 338.408 1.169 20 5 EDBDRO CC(C)[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC1 ZINC000283616796 443674413 /nfs/dbraw/zinc/67/44/13/443674413.db2.gz VVEMYVSXHMXUIU-UHFFFAOYSA-N 1 0 330.392 1.921 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)NCCOCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000471632017 320352756 /nfs/dbraw/zinc/35/27/56/320352756.db2.gz ALVNHCJCCLOGMW-CYBMUJFWSA-N 1 0 338.408 1.842 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000490047329 320362650 /nfs/dbraw/zinc/36/26/50/320362650.db2.gz VVWULJNXENCTMD-INIZCTEOSA-N 1 0 341.367 1.934 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(c3ncnc4sc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000286296117 443684643 /nfs/dbraw/zinc/68/46/43/443684643.db2.gz VJXASWBHTALGPA-GHMZBOCLSA-N 1 0 335.389 1.509 20 5 EDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492741431 320384376 /nfs/dbraw/zinc/38/43/76/320384376.db2.gz WAZZUWVPIQRAFA-PIZKADEWSA-N 1 0 347.415 1.912 20 5 EDBDRO COCC[N@H+](C)CCCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286296146 443685063 /nfs/dbraw/zinc/68/50/63/443685063.db2.gz YBQRJNXXHJBBIP-UHFFFAOYSA-N 1 0 325.394 1.980 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000492783615 320386199 /nfs/dbraw/zinc/38/61/99/320386199.db2.gz QMFNQTBZPCUTGK-UWUBPMADSA-N 1 0 331.372 1.540 20 5 EDBDRO CN(CCC[N@H+](C)Cc1ccco1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000286261723 443679221 /nfs/dbraw/zinc/67/92/21/443679221.db2.gz FCKTZVALGNNWDB-UHFFFAOYSA-N 1 0 347.375 1.640 20 5 EDBDRO CCC[NH+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC000283731170 443700784 /nfs/dbraw/zinc/70/07/84/443700784.db2.gz CIVCSXQRGZRWOG-UHFFFAOYSA-N 1 0 330.392 1.922 20 5 EDBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000517922898 320452964 /nfs/dbraw/zinc/45/29/64/320452964.db2.gz YNUDJUXAJWQBJM-CYBMUJFWSA-N 1 0 336.367 1.859 20 5 EDBDRO O=C(CN1CC[NH2+]C[C@H]1C(F)F)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000519156694 320463292 /nfs/dbraw/zinc/46/32/92/320463292.db2.gz FFLQVZPJLKCMBU-NSHDSACASA-N 1 0 348.737 1.726 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CCCC12CC2 ZINC000519545103 320466901 /nfs/dbraw/zinc/46/69/01/320466901.db2.gz HUFZMEWUHMUDRU-CQSZACIVSA-N 1 0 339.417 1.795 20 5 EDBDRO COCCC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000519545164 320467020 /nfs/dbraw/zinc/46/70/20/320467020.db2.gz UXAGPHDWQHOWDT-OAHLLOKOSA-N 1 0 340.424 1.729 20 5 EDBDRO CN1CCO[C@H]2CC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000284956990 443797822 /nfs/dbraw/zinc/79/78/22/443797822.db2.gz XEBZTTAQRTXZND-IRXDYDNUSA-N 1 0 335.404 1.769 20 5 EDBDRO CCN1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000288187324 443798198 /nfs/dbraw/zinc/79/81/98/443798198.db2.gz BGMSINNQEYLCLT-NSHDSACASA-N 1 0 335.360 1.548 20 5 EDBDRO CC1=CCC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000280815681 443749792 /nfs/dbraw/zinc/74/97/92/443749792.db2.gz MSMBHUJGSATZMW-UHFFFAOYSA-N 1 0 344.415 1.895 20 5 EDBDRO C[NH+](C)C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000288100444 443771456 /nfs/dbraw/zinc/77/14/56/443771456.db2.gz HZVDBVHCLKBKIH-CYBMUJFWSA-N 1 0 348.334 1.867 20 5 EDBDRO CC(C)(CO)[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000292925248 443880188 /nfs/dbraw/zinc/88/01/88/443880188.db2.gz CBAIQRPDAVZKJL-QGZVFWFLSA-N 1 0 347.415 1.871 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000298740969 443855241 /nfs/dbraw/zinc/85/52/41/443855241.db2.gz VVWVPNLXKWKZFF-UHFFFAOYSA-N 1 0 348.403 1.751 20 5 EDBDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000288631873 443939726 /nfs/dbraw/zinc/93/97/26/443939726.db2.gz WPPQWVAHLAZMAU-CYBMUJFWSA-N 1 0 346.387 1.653 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)CCOc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000285227979 443903633 /nfs/dbraw/zinc/90/36/33/443903633.db2.gz KKOAPCSXNGVTEE-GOEBONIOSA-N 1 0 349.387 1.295 20 5 EDBDRO COCCOCCN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000289090938 444051166 /nfs/dbraw/zinc/05/11/66/444051166.db2.gz UMSVBTQRYRTFKH-GFCCVEGCSA-N 1 0 325.365 1.517 20 5 EDBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554890952 320959827 /nfs/dbraw/zinc/95/98/27/320959827.db2.gz AYDGMECPDUOCGG-UHFFFAOYSA-N 1 0 335.339 1.661 20 5 EDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285639282 444056489 /nfs/dbraw/zinc/05/64/89/444056489.db2.gz LELAZWXOEAGWRV-SWLSCSKDSA-N 1 0 346.387 1.619 20 5 EDBDRO Cn1c(C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1[N+](=O)[O-] ZINC000567842508 321261946 /nfs/dbraw/zinc/26/19/46/321261946.db2.gz QQERIIBCTMNUCS-GXTWGEPZSA-N 1 0 336.392 1.292 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2cn3ccsc3n2)c1 ZINC000568501192 321294524 /nfs/dbraw/zinc/29/45/24/321294524.db2.gz HAZHHDOJBFNJSQ-CYBMUJFWSA-N 1 0 348.384 1.834 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1cccc(CO)c1 ZINC000569095858 321318601 /nfs/dbraw/zinc/31/86/01/321318601.db2.gz ZPHACVUTZJPXPH-OAHLLOKOSA-N 1 0 332.356 1.617 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000569194912 321321328 /nfs/dbraw/zinc/32/13/28/321321328.db2.gz CNQYBAPUBDWIFN-QWRGUYRKSA-N 1 0 333.344 1.048 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@](C)(C(N)=O)C(C)C ZINC000289345292 444113589 /nfs/dbraw/zinc/11/35/89/444113589.db2.gz MIMRIRXXKUYKAP-INIZCTEOSA-N 1 0 336.392 1.721 20 5 EDBDRO CCc1nn(C)c(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000302515076 444215390 /nfs/dbraw/zinc/21/53/90/444215390.db2.gz VCOCRDHZEJTOFN-LLVKDONJSA-N 1 0 325.413 1.172 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000289727435 444195562 /nfs/dbraw/zinc/19/55/62/444195562.db2.gz VAKNENUOTVWXBQ-KGLIPLIRSA-N 1 0 332.404 1.632 20 5 EDBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000290212139 444254672 /nfs/dbraw/zinc/25/46/72/444254672.db2.gz UGGOVVZVUSVDIG-UHFFFAOYSA-N 1 0 328.438 1.612 20 5 EDBDRO Cc1ccc([C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000577172361 321629257 /nfs/dbraw/zinc/62/92/57/321629257.db2.gz REKINDABTDVNTI-DLBZAZTESA-N 1 0 347.419 1.353 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCCC[C@H]1CO ZINC000304244114 444244046 /nfs/dbraw/zinc/24/40/46/444244046.db2.gz UJXQJQSPNWBHJH-ZDUSSCGKSA-N 1 0 335.360 1.740 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000290655554 444306701 /nfs/dbraw/zinc/30/67/01/444306701.db2.gz NVVAFXSCLFTEKS-UHFFFAOYSA-N 1 0 348.407 1.084 20 5 EDBDRO NC(=O)c1ccnc(NC[C@H](c2ccco2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000290501724 444288649 /nfs/dbraw/zinc/28/86/49/444288649.db2.gz KRXHLRQXXVVQOH-GFCCVEGCSA-N 1 0 345.359 1.931 20 5 EDBDRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000297952705 444367345 /nfs/dbraw/zinc/36/73/45/444367345.db2.gz TVDSKYKKCKREET-LBPRGKRZSA-N 1 0 348.403 1.690 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000331841924 444488912 /nfs/dbraw/zinc/48/89/12/444488912.db2.gz BSQIFLACOFKRJX-QWHCGFSZSA-N 1 0 339.417 1.748 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000342188492 444554733 /nfs/dbraw/zinc/55/47/33/444554733.db2.gz GTMGHYZPMAURJY-LLVKDONJSA-N 1 0 325.365 1.186 20 5 EDBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000578626468 322869653 /nfs/dbraw/zinc/86/96/53/322869653.db2.gz QFCFWPDNUHIFED-GFCCVEGCSA-N 1 0 340.405 1.000 20 5 EDBDRO COCCC[NH+]1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344209427 444841175 /nfs/dbraw/zinc/84/11/75/444841175.db2.gz JITYQTYDWRDSDC-UHFFFAOYSA-N 1 0 339.367 1.965 20 5 EDBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000342741738 444844506 /nfs/dbraw/zinc/84/45/06/444844506.db2.gz QPFXSVFLPFXBFW-SECBINFHSA-N 1 0 347.293 1.875 20 5 EDBDRO C[NH+](C)Cc1ccc(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cc1 ZINC000342913841 444939043 /nfs/dbraw/zinc/93/90/43/444939043.db2.gz LIONXLUVAUUKIL-UHFFFAOYSA-N 1 0 344.371 1.135 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000337304770 445024798 /nfs/dbraw/zinc/02/47/98/445024798.db2.gz QVBRGYCNMDBPEH-ZFWWWQNUSA-N 1 0 341.433 1.711 20 5 EDBDRO Cn1cc(C[NH2+]C[C@@H](O)[C@H]2CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344478677 445000684 /nfs/dbraw/zinc/00/06/84/445000684.db2.gz AXALTQVJWALFKU-XJKSGUPXSA-N 1 0 346.387 1.482 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)c1 ZINC000337383880 445057033 /nfs/dbraw/zinc/05/70/33/445057033.db2.gz FBYFISYIRMJBCT-IJLUTSLNSA-N 1 0 334.323 1.292 20 5 EDBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000343278789 445175283 /nfs/dbraw/zinc/17/52/83/445175283.db2.gz XQIHVLAXDVCEGJ-HNNXBMFYSA-N 1 0 343.387 1.895 20 5 EDBDRO Cn1nccc1[C@@H]1[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCC[N@@H+]1C ZINC000343355161 445208592 /nfs/dbraw/zinc/20/85/92/445208592.db2.gz RBMDTHFUUQHTSZ-ABAIWWIYSA-N 1 0 346.391 1.469 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCN(C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000354487261 445258989 /nfs/dbraw/zinc/25/89/89/445258989.db2.gz GGFTZPVSBHDONB-LBPRGKRZSA-N 1 0 327.406 1.618 20 5 EDBDRO CC(=O)N1CCC([NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000354611604 445313566 /nfs/dbraw/zinc/31/35/66/445313566.db2.gz JDTUTEMHMJYJOP-LLVKDONJSA-N 1 0 334.376 1.522 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])c1OC ZINC000357015758 445377998 /nfs/dbraw/zinc/37/79/98/445377998.db2.gz DMGLSVNZWTXDBP-CHWSQXEVSA-N 1 0 349.387 1.969 20 5 EDBDRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362723424 445519092 /nfs/dbraw/zinc/51/90/92/445519092.db2.gz NCSHBBFLDCIVJF-SNVBAGLBSA-N 1 0 327.331 1.826 20 5 EDBDRO CC[NH+]1CCN([C@H](C)CNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000357326051 445549037 /nfs/dbraw/zinc/54/90/37/445549037.db2.gz WCNKXPFEKKDJSZ-CYBMUJFWSA-N 1 0 344.419 1.976 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCOCC2)cc1 ZINC000349685899 445645310 /nfs/dbraw/zinc/64/53/10/445645310.db2.gz QDQILCHWWLEVQA-GFCCVEGCSA-N 1 0 328.390 1.527 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000360285334 445676216 /nfs/dbraw/zinc/67/62/16/445676216.db2.gz KEKGMEJHTDHEHF-GXTWGEPZSA-N 1 0 348.403 1.118 20 5 EDBDRO O=C(CC[C@@H]1CC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000392648864 325739250 /nfs/dbraw/zinc/73/92/50/325739250.db2.gz MKJDMRCYCMAUOH-CYBMUJFWSA-N 1 0 333.392 1.028 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)C[N@@H+]1Cc1ccccc1 ZINC000356749987 445986938 /nfs/dbraw/zinc/98/69/38/445986938.db2.gz ZAKQAVWTKIOMAX-JSGCOSHPSA-N 1 0 343.387 1.721 20 5 EDBDRO COc1cc(C[NH2+][C@H]2CC(=O)N3CCCC[C@H]23)c([N+](=O)[O-])cc1OC ZINC000369214593 445997718 /nfs/dbraw/zinc/99/77/18/445997718.db2.gz KVMGQQPIQNHLOK-QWHCGFSZSA-N 1 0 349.387 1.855 20 5 EDBDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000369273499 446037552 /nfs/dbraw/zinc/03/75/52/446037552.db2.gz HBIOQBVWOHOFKF-CQSZACIVSA-N 1 0 332.404 1.493 20 5 EDBDRO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351144193 446001197 /nfs/dbraw/zinc/00/11/97/446001197.db2.gz VTBMUXVSTCIFEJ-UHFFFAOYSA-N 1 0 338.339 1.275 20 5 EDBDRO Cc1c(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cnn1C ZINC000583184025 326019680 /nfs/dbraw/zinc/01/96/80/326019680.db2.gz XIPWBJHDEJREGH-CQSZACIVSA-N 1 0 334.376 1.508 20 5 EDBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000583459605 326077686 /nfs/dbraw/zinc/07/76/86/326077686.db2.gz RWHMZBUGXIQHRZ-CQSZACIVSA-N 1 0 337.424 1.823 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000583934274 326169093 /nfs/dbraw/zinc/16/90/93/326169093.db2.gz XYJDXSMBIGAIHS-DGCLKSJQSA-N 1 0 341.433 1.824 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000369322081 446072987 /nfs/dbraw/zinc/07/29/87/446072987.db2.gz PJQAOIVLXVXFIP-XYYAHUGASA-N 1 0 339.417 1.800 20 5 EDBDRO CN(C)c1cc[nH+]cc1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373248470 446121199 /nfs/dbraw/zinc/12/11/99/446121199.db2.gz BKKNSJWNASUTHC-UHFFFAOYSA-N 1 0 344.375 1.730 20 5 EDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000362024264 446160970 /nfs/dbraw/zinc/16/09/70/446160970.db2.gz JGRDTYCEWQECQH-DVOMOZLQSA-N 1 0 340.376 1.118 20 5 EDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000362028983 446165996 /nfs/dbraw/zinc/16/59/96/446165996.db2.gz RJOSYQOXYBFCFL-DZGCQCFKSA-N 1 0 337.376 1.625 20 5 EDBDRO COC(=O)[C@H](NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000351572260 446169910 /nfs/dbraw/zinc/16/99/10/446169910.db2.gz DFJOSHSVAASEHZ-IAQYHMDHSA-N 1 0 337.376 1.559 20 5 EDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCN(c2ncccn2)CC1 ZINC000370087981 446182412 /nfs/dbraw/zinc/18/24/12/446182412.db2.gz ZBLGMQWYTQNGQH-UHFFFAOYSA-N 1 0 331.380 1.182 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000365636260 446282670 /nfs/dbraw/zinc/28/26/70/446282670.db2.gz RJHMYOKTBUVKAC-VXGBXAGGSA-N 1 0 343.387 1.962 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000370674161 446381626 /nfs/dbraw/zinc/38/16/26/446381626.db2.gz SODRQAFBJQQSMZ-OLZOCXBDSA-N 1 0 339.417 1.442 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000418081162 446434715 /nfs/dbraw/zinc/43/47/15/446434715.db2.gz FHHJIVOXCWJUJP-JQWIXIFHSA-N 1 0 344.375 1.365 20 5 EDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH2+]CCCO2)nc1-c1ccccc1 ZINC000420271017 446441643 /nfs/dbraw/zinc/44/16/43/446441643.db2.gz JUSUNVRVPBYVCK-AWEZNQCLSA-N 1 0 328.372 2.447 20 5 EDBDRO O=C(c1cc(NC[C@@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000420290728 446454431 /nfs/dbraw/zinc/45/44/31/446454431.db2.gz VYAWZZYLODKFCT-ZDUSSCGKSA-N 1 0 334.376 1.231 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000411394482 446516325 /nfs/dbraw/zinc/51/63/25/446516325.db2.gz BRFCEOVGIQVSBU-UHFFFAOYSA-N 1 0 348.403 1.704 20 5 EDBDRO CCOc1ccc(NC(=O)CN(C)C2(C[NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000420328858 446497469 /nfs/dbraw/zinc/49/74/69/446497469.db2.gz NDLIATKPXAVOEE-UHFFFAOYSA-N 1 0 336.392 1.745 20 5 EDBDRO C[C@@H]1CCN[C@@H](C)[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000420364286 446544510 /nfs/dbraw/zinc/54/45/10/446544510.db2.gz KCXOBWKLCUOMGL-WQGACYEGSA-N 1 0 348.403 1.869 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C)[NH2+]C[C@H]1C ZINC000420376237 446552897 /nfs/dbraw/zinc/55/28/97/446552897.db2.gz AIZCFIYCDFGCJK-NWDGAFQWSA-N 1 0 336.392 1.614 20 5 EDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCN2CCC(O)CC2)n1 ZINC000453351414 446555498 /nfs/dbraw/zinc/55/54/98/446555498.db2.gz GYLNNXKCVOWWGD-GJZGRUSLSA-N 1 0 337.424 1.321 20 5 EDBDRO Cc1cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000375092064 446574882 /nfs/dbraw/zinc/57/48/82/446574882.db2.gz YHWHJGWQPIRLRA-UHFFFAOYSA-N 1 0 348.403 1.952 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000420442836 446618999 /nfs/dbraw/zinc/61/89/99/446618999.db2.gz KSXQIYCAWIVPDJ-GFCCVEGCSA-N 1 0 327.406 1.714 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000420418820 446592906 /nfs/dbraw/zinc/59/29/06/446592906.db2.gz GZMAJXXMKVFGFC-CHWSQXEVSA-N 1 0 339.417 1.584 20 5 EDBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420419673 446593784 /nfs/dbraw/zinc/59/37/84/446593784.db2.gz JGLWIHXRHNQXHV-HNNXBMFYSA-N 1 0 339.417 1.153 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000423609805 446603225 /nfs/dbraw/zinc/60/32/25/446603225.db2.gz LQQDPJXYANNTRJ-KGLIPLIRSA-N 1 0 340.383 1.992 20 5 EDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000418589135 446605392 /nfs/dbraw/zinc/60/53/92/446605392.db2.gz SJTXFKHASPRLBX-UONOGXRCSA-N 1 0 347.419 1.696 20 5 EDBDRO COC[C@@]1(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCC[NH2+]1 ZINC000418660679 446639139 /nfs/dbraw/zinc/63/91/39/446639139.db2.gz YHGNREXUQCNZRG-KRWDZBQOSA-N 1 0 348.403 1.431 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000420465754 446642731 /nfs/dbraw/zinc/64/27/31/446642731.db2.gz LHNDCHAOWQOQPX-QWRGUYRKSA-N 1 0 343.405 1.399 20 5 EDBDRO [NH3+][C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000420465192 446643034 /nfs/dbraw/zinc/64/30/34/446643034.db2.gz KXYMFPQTSAEAFI-ZJUUUORDSA-N 1 0 331.369 1.530 20 5 EDBDRO Cn1ccnc(N2CCC([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)c1=O ZINC000376681991 446647371 /nfs/dbraw/zinc/64/73/71/446647371.db2.gz SRLBBLYMNQTLAM-UHFFFAOYSA-N 1 0 343.387 1.447 20 5 EDBDRO [NH3+]CCCn1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)nn1 ZINC000423722554 446660664 /nfs/dbraw/zinc/66/06/64/446660664.db2.gz JXBNIVPBOCCBBX-UHFFFAOYSA-N 1 0 344.375 1.340 20 5 EDBDRO C[NH+](C)CCn1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC000411755185 446668976 /nfs/dbraw/zinc/66/89/76/446668976.db2.gz GRWQZWKTTCTPIX-LSDHHAIUSA-N 1 0 343.387 2.095 20 5 EDBDRO Cc1noc(C)c1CO[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000375179413 446626795 /nfs/dbraw/zinc/62/67/95/446626795.db2.gz XANCDRRDEAJFEB-ZDUSSCGKSA-N 1 0 335.364 1.687 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2C[NH2+]CCC2(F)F)c1C ZINC000420453900 446631300 /nfs/dbraw/zinc/63/13/00/446631300.db2.gz XZRMXCQJSIGKTI-GFCCVEGCSA-N 1 0 349.359 1.487 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420455643 446634434 /nfs/dbraw/zinc/63/44/34/446634434.db2.gz MNQWQNWMMUIPOI-STQMWFEESA-N 1 0 339.417 1.605 20 5 EDBDRO [NH3+]C[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000423819556 446708746 /nfs/dbraw/zinc/70/87/46/446708746.db2.gz ALNYTRNHXLPMLC-HNNXBMFYSA-N 1 0 344.346 1.756 20 5 EDBDRO COC(=O)[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[N@H+](C)C1 ZINC000411906949 446715606 /nfs/dbraw/zinc/71/56/06/446715606.db2.gz ORISGXVBWGOBSK-ZDUSSCGKSA-N 1 0 337.376 1.010 20 5 EDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000368238268 446729971 /nfs/dbraw/zinc/72/99/71/446729971.db2.gz CJJBKSIXVZITPB-HIFRSBDPSA-N 1 0 333.388 1.950 20 5 EDBDRO C[C@@H]1CC(=O)NCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000375344694 446738058 /nfs/dbraw/zinc/73/80/58/446738058.db2.gz HYOGONMWYOFUGB-SNVBAGLBSA-N 1 0 338.339 1.273 20 5 EDBDRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)CN1 ZINC000371298004 446754509 /nfs/dbraw/zinc/75/45/09/446754509.db2.gz QFLFHZQYXZOPSD-BBRMVZONSA-N 1 0 333.388 1.964 20 5 EDBDRO COc1ccc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000420757276 446796156 /nfs/dbraw/zinc/79/61/56/446796156.db2.gz BYAREPMJBOLACT-LLVKDONJSA-N 1 0 343.405 1.318 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371283785 446741675 /nfs/dbraw/zinc/74/16/75/446741675.db2.gz LVEXRKFAKIBRMD-BMFZPTHFSA-N 1 0 332.404 1.173 20 5 EDBDRO C[N@@H+]1CCN(CCNc2ncnc3cccc([N+](=O)[O-])c32)CC1(C)C ZINC000440652730 446850769 /nfs/dbraw/zinc/85/07/69/446850769.db2.gz SVFWLPSPEGOLBP-UHFFFAOYSA-N 1 0 344.419 1.976 20 5 EDBDRO CNc1nc(C(=O)NCCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000454344366 446852167 /nfs/dbraw/zinc/85/21/67/446852167.db2.gz NQJDNZUYIRMHCB-UHFFFAOYSA-N 1 0 335.408 1.883 20 5 EDBDRO Cn1ccnc1[C@@H]1CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000368428897 446856796 /nfs/dbraw/zinc/85/67/96/446856796.db2.gz JNWSROGMAGZKLY-ZBFHGGJFSA-N 1 0 346.387 1.905 20 5 EDBDRO O=C(CC[N@@H+]1CCO[C@]2(CCCOC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000375663878 446959942 /nfs/dbraw/zinc/95/99/42/446959942.db2.gz FILZXDIOWXOFBJ-QGZVFWFLSA-N 1 0 349.387 1.805 20 5 EDBDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000419158380 446975029 /nfs/dbraw/zinc/97/50/29/446975029.db2.gz XNFLOMDESZQROR-VXGBXAGGSA-N 1 0 336.392 1.262 20 5 EDBDRO C[C@H]1CC[C@@H](O)C[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000420999028 446977062 /nfs/dbraw/zinc/97/70/62/446977062.db2.gz BUPAIMUQGJVTFT-WCQYABFASA-N 1 0 335.360 1.738 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1([S@@](C)=O)CC1 ZINC000442814659 446977406 /nfs/dbraw/zinc/97/74/06/446977406.db2.gz VHXVFZFZCUUVQP-BSNNYGBQSA-N 1 0 339.417 1.813 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](CCO)CC2)c1 ZINC000421034142 447004403 /nfs/dbraw/zinc/00/44/03/447004403.db2.gz GSYDUYWJRKHGBV-ZBFHGGJFSA-N 1 0 338.404 1.819 20 5 EDBDRO CCCN1C[C@H](C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])CC1=O ZINC000421356976 447139614 /nfs/dbraw/zinc/13/96/14/447139614.db2.gz ZAVVFEBSIGQTBV-NSHDSACASA-N 1 0 337.376 1.657 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425660419 447258386 /nfs/dbraw/zinc/25/83/86/447258386.db2.gz ZBJSZLZRGFUTLZ-SWLSCSKDSA-N 1 0 348.403 1.839 20 5 EDBDRO Cc1cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(N)c([N+](=O)[O-])c1 ZINC000369020707 447269026 /nfs/dbraw/zinc/26/90/26/447269026.db2.gz ANZDQNPNRGSWQT-NEPJUHHUSA-N 1 0 334.376 1.078 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C[C@@H]21 ZINC000447248344 447270778 /nfs/dbraw/zinc/27/07/78/447270778.db2.gz SBSSDVHQIVCFGD-KXUCPTDWSA-N 1 0 331.419 1.404 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000369037635 447281982 /nfs/dbraw/zinc/28/19/82/447281982.db2.gz ZGHDIBINNYDIEW-JKSUJKDBSA-N 1 0 348.403 1.966 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415499186 447482057 /nfs/dbraw/zinc/48/20/57/447482057.db2.gz JSUCIVSSBZKNLN-CYBMUJFWSA-N 1 0 349.391 1.115 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000415510418 447487983 /nfs/dbraw/zinc/48/79/83/447487983.db2.gz YWVGJFMXIOKKLH-NWDGAFQWSA-N 1 0 338.364 1.573 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000420240459 447684179 /nfs/dbraw/zinc/68/41/79/447684179.db2.gz NLWAKJDGRYSDMJ-DOMZBBRYSA-N 1 0 348.403 1.477 20 5 EDBDRO CON1CCC([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000459583235 447713312 /nfs/dbraw/zinc/71/33/12/447713312.db2.gz SLHKCUKTKDFDHE-AWEZNQCLSA-N 1 0 339.392 1.292 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000459649786 447731374 /nfs/dbraw/zinc/73/13/74/447731374.db2.gz RUJWHSBKMGXGLS-INIZCTEOSA-N 1 0 337.376 1.051 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000422844568 447767920 /nfs/dbraw/zinc/76/79/20/447767920.db2.gz MFNRGLKBBDHRQB-NWDGAFQWSA-N 1 0 349.387 1.971 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000451875468 447770498 /nfs/dbraw/zinc/77/04/98/447770498.db2.gz BZUBXJCCYRITBK-RISCZKNCSA-N 1 0 325.390 1.061 20 5 EDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000451917628 447783744 /nfs/dbraw/zinc/78/37/44/447783744.db2.gz NLJYPKKFSQGWFK-GDBMZVCRSA-N 1 0 346.431 1.942 20 5 EDBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488732876 447849864 /nfs/dbraw/zinc/84/98/64/447849864.db2.gz KTNFQLRHIQNQPD-TYNCELHUSA-N 1 0 332.404 1.860 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000522899966 447862551 /nfs/dbraw/zinc/86/25/51/447862551.db2.gz CMCNMEWIYVIAOY-LLVKDONJSA-N 1 0 335.360 1.784 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000523118349 447874346 /nfs/dbraw/zinc/87/43/46/447874346.db2.gz QPWMZLIXILLNQN-UHFFFAOYSA-N 1 0 334.420 1.661 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](N3CCOCC3)C2)cc1 ZINC000569738350 447880468 /nfs/dbraw/zinc/88/04/68/447880468.db2.gz AZSLUEVLHWAREB-MRXNPFEDSA-N 1 0 335.404 1.770 20 5 EDBDRO Nc1nccc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000570056613 447941434 /nfs/dbraw/zinc/94/14/34/447941434.db2.gz JILUJCCHXZAGML-UHFFFAOYSA-N 1 0 347.419 1.910 20 5 EDBDRO C[C@@H]1C[C@H](N(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@@H+]1C ZINC000525032172 447965874 /nfs/dbraw/zinc/96/58/74/447965874.db2.gz VMQAOCVRUCMCJU-GHMZBOCLSA-N 1 0 335.360 1.878 20 5 EDBDRO CC(C)(C)c1csc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000576863968 448157014 /nfs/dbraw/zinc/15/70/14/448157014.db2.gz VCWVRBICHSBHNM-LLVKDONJSA-N 1 0 339.421 1.696 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000576874554 448160199 /nfs/dbraw/zinc/16/01/99/448160199.db2.gz UYULSMSTIJONAX-ZDUSSCGKSA-N 1 0 329.422 1.809 20 5 EDBDRO CN(C)Cc1nc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])cn2)no1 ZINC000531633383 448120291 /nfs/dbraw/zinc/12/02/91/448120291.db2.gz NDJOFHXQBKDVHL-UHFFFAOYSA-N 1 0 334.336 1.100 20 5 EDBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000507504296 448143206 /nfs/dbraw/zinc/14/32/06/448143206.db2.gz ITZZNSDYOZKHKB-WCQYABFASA-N 1 0 329.360 1.883 20 5 EDBDRO CNc1nccc(C(=O)NCC2([NH+](C)C)CCCCCC2)c1[N+](=O)[O-] ZINC000577073999 448207071 /nfs/dbraw/zinc/20/70/71/448207071.db2.gz WLDCWKNNQHRUBS-UHFFFAOYSA-N 1 0 349.435 2.416 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000591019550 448234192 /nfs/dbraw/zinc/23/41/92/448234192.db2.gz BMDWUQTXQXZBSW-GFCCVEGCSA-N 1 0 348.403 1.688 20 5 EDBDRO C[C@H]1CN(CCNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000515125001 448261896 /nfs/dbraw/zinc/26/18/96/448261896.db2.gz UOLCAKFRMGKRKA-ZDUSSCGKSA-N 1 0 349.387 1.395 20 5 EDBDRO C[C@@H](CO[C@@H]1CCOC1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000515165545 448266795 /nfs/dbraw/zinc/26/67/95/448266795.db2.gz BISJNXJEPRDEMB-QWHCGFSZSA-N 1 0 337.376 1.707 20 5 EDBDRO CC[C@@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@@H]1[NH3+] ZINC000591304435 448315925 /nfs/dbraw/zinc/31/59/25/448315925.db2.gz YUCIXKWDQUFXEI-YPMHNXCESA-N 1 0 334.376 1.428 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c1 ZINC000591263757 448300249 /nfs/dbraw/zinc/30/02/49/448300249.db2.gz AWHIROSDEURKMG-GFCCVEGCSA-N 1 0 335.360 1.292 20 5 EDBDRO CC(C)[NH2+]CCCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000591359306 448342162 /nfs/dbraw/zinc/34/21/62/448342162.db2.gz PAMUWMBVMNZEHA-UHFFFAOYSA-N 1 0 336.392 1.887 20 5 EDBDRO O=C1C[C@@H](N2CC[C@@H]3OCC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000572601908 448419291 /nfs/dbraw/zinc/41/92/91/448419291.db2.gz AQZNYFVZAAITTM-DFBGVHRSSA-N 1 0 345.355 1.338 20 5 EDBDRO Cc1c(CNC(=O)c2cn(CCCC[NH3+])nn2)cccc1[N+](=O)[O-] ZINC000566196140 448412783 /nfs/dbraw/zinc/41/27/83/448412783.db2.gz COUAGSLKNLIOAR-UHFFFAOYSA-N 1 0 332.364 1.164 20 5 EDBDRO CC(C)[N@H+](C)C[C@@H](O)Cn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC000516664948 448460513 /nfs/dbraw/zinc/46/05/13/448460513.db2.gz QSNWRZQFHQEIHP-SECBINFHSA-N 1 0 326.378 1.067 20 5 EDBDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000591726616 448473663 /nfs/dbraw/zinc/47/36/63/448473663.db2.gz WEWRNXGFVCTDMA-HNNXBMFYSA-N 1 0 348.407 1.183 20 5 EDBDRO Cc1ccc(O[C@H](C)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000591744633 448480692 /nfs/dbraw/zinc/48/06/92/448480692.db2.gz RFGUQPAYAXVAAS-HIFRSBDPSA-N 1 0 334.376 1.518 20 5 EDBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000591756716 448482884 /nfs/dbraw/zinc/48/28/84/448482884.db2.gz TZDYQMDXUAFLGT-IUODEOHRSA-N 1 0 336.392 1.232 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000572878374 448487862 /nfs/dbraw/zinc/48/78/62/448487862.db2.gz BSPAJRLVNFTSIJ-ZDUSSCGKSA-N 1 0 349.387 1.188 20 5 EDBDRO [NH3+]CCCOC1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000517019336 448523833 /nfs/dbraw/zinc/52/38/33/448523833.db2.gz SUFQATXXDPJJSA-UHFFFAOYSA-N 1 0 336.392 1.634 20 5 EDBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)NCC[NH2+]C1CCCCCC1 ZINC000517370318 448576494 /nfs/dbraw/zinc/57/64/94/448576494.db2.gz TZFLGFOOLHGRPM-UHFFFAOYSA-N 1 0 342.421 1.581 20 5 EDBDRO CN(C)S(=O)(=O)c1ccc(N(C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000537190639 448551530 /nfs/dbraw/zinc/55/15/30/448551530.db2.gz RBRVCNIPOGJIEJ-UHFFFAOYSA-N 1 0 344.437 1.233 20 5 EDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc([N+](=O)[O-])c2cccnc21 ZINC000591982771 448609672 /nfs/dbraw/zinc/60/96/72/448609672.db2.gz RADLGFMBJPORCU-LBPRGKRZSA-N 1 0 343.387 1.699 20 5 EDBDRO [NH3+]C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCCC1 ZINC000584833584 448648437 /nfs/dbraw/zinc/64/84/37/448648437.db2.gz DYOVHYBMXWYYAM-LBPRGKRZSA-N 1 0 335.360 1.961 20 5 EDBDRO O=c1c(Br)cn(CC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000592162329 448717954 /nfs/dbraw/zinc/71/79/54/448717954.db2.gz WNAQVBUIZCPJLR-SECBINFHSA-N 1 0 330.182 1.909 20 5 EDBDRO CC(C)[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000592243003 448760655 /nfs/dbraw/zinc/76/06/55/448760655.db2.gz YHPWIULGNKFODK-OAHLLOKOSA-N 1 0 344.371 1.919 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000592367557 448807998 /nfs/dbraw/zinc/80/79/98/448807998.db2.gz SYWINIBDXXFSGV-SNVBAGLBSA-N 1 0 329.378 1.024 20 5 EDBDRO C[C@@H]1C[C@H](C)N(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1C[NH3+] ZINC000519598058 448795556 /nfs/dbraw/zinc/79/55/56/448795556.db2.gz ZMZBKSLAEWAFHW-OUAUKWLOSA-N 1 0 335.360 1.769 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CC[C@@H](O)C2)cc1 ZINC000592431260 448832691 /nfs/dbraw/zinc/83/26/91/448832691.db2.gz ACUOMMLHCVRLBI-DGCLKSJQSA-N 1 0 328.390 1.119 20 5 EDBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000546811589 448851937 /nfs/dbraw/zinc/85/19/37/448851937.db2.gz GNWLUHRCTHWLPD-UHFFFAOYSA-N 1 0 345.359 1.895 20 5 EDBDRO COc1ccc(OCCN2CCO[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000592475557 448853153 /nfs/dbraw/zinc/85/31/53/448853153.db2.gz NDYSXLBSLIDARP-IAQYHMDHSA-N 1 0 325.365 1.030 20 5 EDBDRO COc1ccc(CNC(=O)c2conc2C(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000574415519 448871572 /nfs/dbraw/zinc/87/15/72/448871572.db2.gz YQJPLBXMRIIDHA-UHFFFAOYSA-N 1 0 334.332 1.715 20 5 EDBDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000592531535 448882638 /nfs/dbraw/zinc/88/26/38/448882638.db2.gz VTAVTZSGDNCJQW-YEAWQHKWSA-N 1 0 334.372 1.854 20 5 EDBDRO COc1ccc(NC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)cc1[N+](=O)[O-] ZINC000592558334 448900535 /nfs/dbraw/zinc/90/05/35/448900535.db2.gz WBVCNTSOXNNPBI-SNVBAGLBSA-N 1 0 345.359 1.888 20 5 EDBDRO COc1ccc(CC(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000592569036 448905604 /nfs/dbraw/zinc/90/56/04/448905604.db2.gz WGTSDAHFNAGOAF-ZDUSSCGKSA-N 1 0 333.388 1.937 20 5 EDBDRO [NH3+]CC[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(F)F ZINC000574517940 448892541 /nfs/dbraw/zinc/89/25/41/448892541.db2.gz QALSDAZFQXXBQJ-JTQLQIEISA-N 1 0 339.302 1.493 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[N@H+](C)C(C)(C)C2)c1F ZINC000569019087 448953172 /nfs/dbraw/zinc/95/31/72/448953172.db2.gz GROLUXRECMMKBY-UHFFFAOYSA-N 1 0 339.367 1.838 20 5 EDBDRO COc1ccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000548042549 448974376 /nfs/dbraw/zinc/97/43/76/448974376.db2.gz RNWPBUGCJAVPND-LLVKDONJSA-N 1 0 343.405 1.366 20 5 EDBDRO Nc1nccc(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)c1[N+](=O)[O-] ZINC000548084278 448980343 /nfs/dbraw/zinc/98/03/43/448980343.db2.gz OGPGBZYNOZWAFR-UHFFFAOYSA-N 1 0 342.290 2.149 20 5 EDBDRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593569388 449078252 /nfs/dbraw/zinc/07/82/52/449078252.db2.gz LONHUBABPGKLSO-UHFFFAOYSA-N 1 0 340.405 1.239 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000589929902 449082571 /nfs/dbraw/zinc/08/25/71/449082571.db2.gz NUDFYVRJFRIVRN-WCQYABFASA-N 1 0 325.390 1.228 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000589930013 449084820 /nfs/dbraw/zinc/08/48/20/449084820.db2.gz RDPGJMDYRCNUIX-JOYOIKCWSA-N 1 0 345.808 1.573 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000590012824 449098491 /nfs/dbraw/zinc/09/84/91/449098491.db2.gz ZFXUMGXFKWYZIS-BBRMVZONSA-N 1 0 330.388 1.120 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)NC2(C[NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000599921863 449110087 /nfs/dbraw/zinc/11/00/87/449110087.db2.gz WBOPXOIIBUUKPH-GFCCVEGCSA-N 1 0 336.392 1.771 20 5 EDBDRO Cn1c2cc([N+](=O)[O-])c(N3CC[C@@H](C[NH+](C)C)C3)cc2n(C)c1=O ZINC000590140372 449111579 /nfs/dbraw/zinc/11/15/79/449111579.db2.gz CSYVQLNOGRVLNQ-NSHDSACASA-N 1 0 333.392 1.173 20 5 EDBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595678109 449115680 /nfs/dbraw/zinc/11/56/80/449115680.db2.gz QPBLSPZUGHTOKU-KFWWJZLASA-N 1 0 338.404 1.817 20 5 EDBDRO C[C@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1CCO ZINC000595692970 449122166 /nfs/dbraw/zinc/12/21/66/449122166.db2.gz CIPSCNSFZWXVER-XJKSGUPXSA-N 1 0 347.415 1.967 20 5 EDBDRO CCC[NH+]1CCC(Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000603929302 449161167 /nfs/dbraw/zinc/16/11/67/449161167.db2.gz KDDUSYKJLWWKCY-UHFFFAOYSA-N 1 0 342.421 1.529 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000600006669 449145558 /nfs/dbraw/zinc/14/55/58/449145558.db2.gz BEEPWXAVESWBRI-UHFFFAOYSA-N 1 0 333.388 1.922 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@](O)(C3CC3)C2)c1 ZINC000595753291 449148525 /nfs/dbraw/zinc/14/85/25/449148525.db2.gz YLHHTXRUQFPNPL-NVXWUHKLSA-N 1 0 336.388 1.571 20 5 EDBDRO COC(=O)c1ccnc(NCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000590571067 449196071 /nfs/dbraw/zinc/19/60/71/449196071.db2.gz BUZVFPVHRNWNIB-UHFFFAOYSA-N 1 0 336.392 2.310 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000590590197 449204480 /nfs/dbraw/zinc/20/44/80/449204480.db2.gz VPCNBEKYMIDGQS-PWSUYJOCSA-N 1 0 343.405 1.317 20 5 EDBDRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000601851011 449183222 /nfs/dbraw/zinc/18/32/22/449183222.db2.gz QWDYUWVVTWOLQA-OAHLLOKOSA-N 1 0 343.387 1.490 20 5 EDBDRO O=C1CCCN1C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000595831660 449195256 /nfs/dbraw/zinc/19/52/56/449195256.db2.gz MACCUCVYDZCABS-CQSZACIVSA-N 1 0 333.388 1.918 20 5 EDBDRO O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000595943710 449270275 /nfs/dbraw/zinc/27/02/75/449270275.db2.gz RANQYMRGVBBDAF-CQSZACIVSA-N 1 0 344.327 1.609 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000593918092 449286653 /nfs/dbraw/zinc/28/66/53/449286653.db2.gz AMZXWLHRVZYZBN-LNSITVRQSA-N 1 0 336.392 1.434 20 5 EDBDRO C[NH+](C)CCN1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1=O ZINC000593486360 449306194 /nfs/dbraw/zinc/30/61/94/449306194.db2.gz UBOIWFKMIHXYKM-UHFFFAOYSA-N 1 0 343.387 1.353 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[N@@H+]1CCCC[C@@H]1C ZINC000593528564 449327091 /nfs/dbraw/zinc/32/70/91/449327091.db2.gz NHMFPTKRGQNRCR-RYUDHWBXSA-N 1 0 342.421 1.531 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NCC23CC(C2)C[NH2+]3)cc([N+](=O)[O-])c1 ZINC000595951810 449276788 /nfs/dbraw/zinc/27/67/88/449276788.db2.gz SHXIVGJKXWAQDO-UHFFFAOYSA-N 1 0 333.344 1.253 20 5 EDBDRO NS(=O)(=O)c1ccc(NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000596076814 449350831 /nfs/dbraw/zinc/35/08/31/449350831.db2.gz PWGPUHVTDPNAIK-UHFFFAOYSA-N 1 0 328.394 1.140 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2nc(CN3CC[N@@H+]4C[C@H](O)C[C@H]4C3)co2)cc1 ZINC000594025491 449330000 /nfs/dbraw/zinc/33/00/00/449330000.db2.gz NTRHBVUQTOVAGY-JKSUJKDBSA-N 1 0 344.371 1.501 20 5 EDBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594228822 449401025 /nfs/dbraw/zinc/40/10/25/449401025.db2.gz FPVNFBNMRQVLFL-UONOGXRCSA-N 1 0 336.396 1.107 20 5 EDBDRO COc1cc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000598454997 449404755 /nfs/dbraw/zinc/40/47/55/449404755.db2.gz YMVYYTFVJYQVLG-CQSZACIVSA-N 1 0 349.387 1.275 20 5 EDBDRO O=c1[nH]ccc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000596166093 449392303 /nfs/dbraw/zinc/39/23/03/449392303.db2.gz PLHLNOGZZIZNRF-KGLIPLIRSA-N 1 0 336.392 1.875 20 5 EDBDRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000600684637 449491769 /nfs/dbraw/zinc/49/17/69/449491769.db2.gz XJYMXZFQYRZGDZ-UHFFFAOYSA-N 1 0 337.376 1.905 20 5 EDBDRO CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000600623902 449464866 /nfs/dbraw/zinc/46/48/66/449464866.db2.gz STDAVFIQZBRSCM-IXDOHACOSA-N 1 0 347.415 1.895 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000598595147 449482663 /nfs/dbraw/zinc/48/26/63/449482663.db2.gz CDYRTBFVIFWZAS-UHFFFAOYSA-N 1 0 327.406 1.586 20 5 EDBDRO CC(C)c1ccc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594393453 449489046 /nfs/dbraw/zinc/48/90/46/449489046.db2.gz NKIOKZSGKJXBSE-UONOGXRCSA-N 1 0 333.388 1.609 20 5 EDBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393400 449489283 /nfs/dbraw/zinc/48/92/83/449489283.db2.gz MFPDGSMOBUNGRJ-NWDGAFQWSA-N 1 0 339.779 1.448 20 5 EDBDRO COC(=O)c1ccnc(N2CCC3(CCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000598609391 449491427 /nfs/dbraw/zinc/49/14/27/449491427.db2.gz IGMQRTMFRZBYMI-UHFFFAOYSA-N 1 0 334.376 1.841 20 5 EDBDRO COc1ccc(NC(=O)CCN2C[C@@H]3CCC[C@@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC000598682473 449540948 /nfs/dbraw/zinc/54/09/48/449540948.db2.gz NAQDUNRNJCDNFK-YVEFUNNKSA-N 1 0 348.403 1.745 20 5 EDBDRO O=C(Nc1ccc(-c2ccc([N+](=O)[O-])nc2)cn1)C1CC[NH2+]CC1 ZINC000600789072 449547131 /nfs/dbraw/zinc/54/71/31/449547131.db2.gz QEAMVVPNDRIYIA-UHFFFAOYSA-N 1 0 327.344 1.990 20 5 EDBDRO COC(=O)c1cc(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc([N+](=O)[O-])c1 ZINC000594425928 449510234 /nfs/dbraw/zinc/51/02/34/449510234.db2.gz BQPCAVCMOBVZQQ-BBRMVZONSA-N 1 0 333.344 1.710 20 5 EDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000617352611 449571249 /nfs/dbraw/zinc/57/12/49/449571249.db2.gz CHKMNLLNIIPZEW-LBPRGKRZSA-N 1 0 337.376 1.444 20 5 EDBDRO Cc1c(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cccc1[N+](=O)[O-] ZINC000596634833 449580049 /nfs/dbraw/zinc/58/00/49/449580049.db2.gz DGKJFGHYFTWDEB-CQSZACIVSA-N 1 0 348.403 1.966 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000596566770 449555066 /nfs/dbraw/zinc/55/50/66/449555066.db2.gz MGCDVFBGYCCXGU-CYBMUJFWSA-N 1 0 325.413 1.667 20 5 EDBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C[C@@H]1C[NH3+] ZINC000600887123 449587503 /nfs/dbraw/zinc/58/75/03/449587503.db2.gz PRSFDWWQJMCKKH-RYUDHWBXSA-N 1 0 338.383 1.602 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(CNC3CC[NH+]([C@@H]4CCOC4)CC3)nc2c1 ZINC000594615265 449595339 /nfs/dbraw/zinc/59/53/39/449595339.db2.gz QUTVHZNMJYYNBM-CQSZACIVSA-N 1 0 345.403 1.814 20 5 EDBDRO Cn1cc(CN2CCC(CC[NH+]3CCOCC3)CC2)c([N+](=O)[O-])n1 ZINC000602451839 449598042 /nfs/dbraw/zinc/59/80/42/449598042.db2.gz AOTAKDRYCPTAGC-UHFFFAOYSA-N 1 0 337.424 1.263 20 5 EDBDRO O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)Nc1cccc([N+](=O)[O-])c1 ZINC000594655540 449609780 /nfs/dbraw/zinc/60/97/80/449609780.db2.gz GUYBOQPXGGDKRC-ZDUSSCGKSA-N 1 0 331.336 1.042 20 5 EDBDRO CC[NH+](CC)CCO[C@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602479677 449624059 /nfs/dbraw/zinc/62/40/59/449624059.db2.gz PJLKLQHZDFGUTQ-AWEZNQCLSA-N 1 0 325.413 1.261 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCN(C4CC4)C3)CC2)cn1 ZINC000602543633 449663950 /nfs/dbraw/zinc/66/39/50/449663950.db2.gz DQHKWLSEMPIQGX-CQSZACIVSA-N 1 0 331.420 1.785 20 5 EDBDRO O=[N+]([O-])c1cccnc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000594761533 449676066 /nfs/dbraw/zinc/67/60/66/449676066.db2.gz ZHPLSPJOYFJFNO-LBPRGKRZSA-N 1 0 340.405 1.096 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ncccc3[N+](=O)[O-])CC[C@H]21 ZINC000594765584 449679685 /nfs/dbraw/zinc/67/96/85/449679685.db2.gz XBEYXFHDEAGBQL-NWDGAFQWSA-N 1 0 340.405 1.095 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000598897556 449635829 /nfs/dbraw/zinc/63/58/29/449635829.db2.gz GSVWNBQQPZGEHW-AAEUAGOBSA-N 1 0 349.391 1.315 20 5 EDBDRO CN1CC[NH+](CCCCNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000600995558 449641388 /nfs/dbraw/zinc/64/13/88/449641388.db2.gz IQEIYKSVHCHDFL-UHFFFAOYSA-N 1 0 338.383 1.491 20 5 EDBDRO C[C@@H](CNc1ccnc2ccc([N+](=O)[O-])cc21)C[NH+]1CCOCC1 ZINC000601122508 449702394 /nfs/dbraw/zinc/70/23/94/449702394.db2.gz YDAYTTGWBXUVOY-ZDUSSCGKSA-N 1 0 330.388 1.945 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)c1C ZINC000599105634 449737982 /nfs/dbraw/zinc/73/79/82/449737982.db2.gz DNBJSFUZFPLVCS-AWEZNQCLSA-N 1 0 339.417 1.775 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000594801848 449713883 /nfs/dbraw/zinc/71/38/83/449713883.db2.gz UCWJDZXDRKLHIR-LLVKDONJSA-N 1 0 327.406 1.746 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1COCCN1C ZINC000599081623 449720843 /nfs/dbraw/zinc/72/08/43/449720843.db2.gz SMGRBRKEPCYXFY-DOMZBBRYSA-N 1 0 336.392 1.232 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000599107116 449738828 /nfs/dbraw/zinc/73/88/28/449738828.db2.gz ZJJGRQCNUMSSIX-UWVGGRQHSA-N 1 0 329.378 1.022 20 5 EDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000601167871 449730553 /nfs/dbraw/zinc/73/05/53/449730553.db2.gz HMWHROKRCPUJEO-GFCCVEGCSA-N 1 0 333.314 1.879 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000599098833 449730850 /nfs/dbraw/zinc/73/08/50/449730850.db2.gz CKLISUHULALHBG-GFCCVEGCSA-N 1 0 343.405 1.222 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000599107115 449739268 /nfs/dbraw/zinc/73/92/68/449739268.db2.gz ZJJGRQCNUMSSIX-NXEZZACHSA-N 1 0 329.378 1.022 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000599103240 449734626 /nfs/dbraw/zinc/73/46/26/449734626.db2.gz PTOXKVXZESYXSU-CQSZACIVSA-N 1 0 327.406 1.522 20 5 EDBDRO CN1CCOC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000599004654 449691888 /nfs/dbraw/zinc/69/18/88/449691888.db2.gz WBKOOWBSYNGZJP-LBPRGKRZSA-N 1 0 331.319 1.616 20 5 EDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000602597983 449695342 /nfs/dbraw/zinc/69/53/42/449695342.db2.gz XGZAPALYZYNACE-HTQZYQBOSA-N 1 0 328.166 1.919 20 5 EDBDRO C[C@@H](C[C@H]1CCOC1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612576210 449781746 /nfs/dbraw/zinc/78/17/46/449781746.db2.gz WBPMEPKRGJKTGX-QWHCGFSZSA-N 1 0 342.417 1.773 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)c1C ZINC000599107902 449740069 /nfs/dbraw/zinc/74/00/69/449740069.db2.gz XHBHGFFKKJBBHI-CYBMUJFWSA-N 1 0 339.417 1.775 20 5 EDBDRO CC(C)C[C@H](Nc1ccc([N+](=O)[O-])cn1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000601192294 449743475 /nfs/dbraw/zinc/74/34/75/449743475.db2.gz UMRYVFRPYJETNG-GJZGRUSLSA-N 1 0 349.435 1.979 20 5 EDBDRO NS(=O)(=O)c1cccc(N[C@@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000612657666 449818701 /nfs/dbraw/zinc/81/87/01/449818701.db2.gz QJUCACNOJOUROS-LLVKDONJSA-N 1 0 340.405 1.138 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000602819994 449832403 /nfs/dbraw/zinc/83/24/03/449832403.db2.gz WEMMQWGWCQZWFM-PWSUYJOCSA-N 1 0 336.314 1.735 20 5 EDBDRO C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CC(C)(C)O ZINC000614832294 449838740 /nfs/dbraw/zinc/83/87/40/449838740.db2.gz KYAPUDHRDPWFBY-GFCCVEGCSA-N 1 0 345.403 1.819 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)c(C)cc1[N+](=O)[O-] ZINC000595108377 449872625 /nfs/dbraw/zinc/87/26/25/449872625.db2.gz ONIATQKIBKOUBE-LBPRGKRZSA-N 1 0 327.406 1.632 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000612788789 449879168 /nfs/dbraw/zinc/87/91/68/449879168.db2.gz OOZUAASGLSVRIJ-GFCCVEGCSA-N 1 0 325.390 1.357 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000601342095 449851426 /nfs/dbraw/zinc/85/14/26/449851426.db2.gz PUXXPVJQXDKLAC-GXFFZTMASA-N 1 0 343.380 1.415 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])s1 ZINC000601342968 449852585 /nfs/dbraw/zinc/85/25/85/449852585.db2.gz HKHYCSBAEITBHS-ZDUSSCGKSA-N 1 0 345.446 1.729 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[NH+](C[C@@H]4CCCO4)CC3)nc2c1 ZINC000608923393 449950436 /nfs/dbraw/zinc/95/04/36/449950436.db2.gz HFJFXGFPTMMKHV-AWEZNQCLSA-N 1 0 345.403 1.768 20 5 EDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000609139703 449967258 /nfs/dbraw/zinc/96/72/58/449967258.db2.gz PXMGYUWJPRLYIY-JKSUJKDBSA-N 1 0 348.403 1.335 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000595251613 449976556 /nfs/dbraw/zinc/97/65/56/449976556.db2.gz PFXUCVFRADGPCF-UHFFFAOYSA-N 1 0 332.360 1.100 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000603081842 450054747 /nfs/dbraw/zinc/05/47/47/450054747.db2.gz DJYMQYFYMMAHMH-UHFFFAOYSA-N 1 0 344.375 1.315 20 5 EDBDRO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1nccn1C ZINC000595384590 450098877 /nfs/dbraw/zinc/09/88/77/450098877.db2.gz YNYOPNYVSGNOOW-MRVPVSSYSA-N 1 0 328.325 1.507 20 5 EDBDRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[NH2+][C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000599607324 450100677 /nfs/dbraw/zinc/10/06/77/450100677.db2.gz WHLRQVTYYQDBNT-GXSJLCMTSA-N 1 0 336.348 1.562 20 5 EDBDRO CN(CCCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000610111796 450141943 /nfs/dbraw/zinc/14/19/43/450141943.db2.gz FMBCDKZUBUUTHZ-UHFFFAOYSA-N 1 0 337.376 1.780 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000597624926 450153385 /nfs/dbraw/zinc/15/33/85/450153385.db2.gz GDLYQIAFIXGSPV-CQSZACIVSA-N 1 0 332.404 1.331 20 5 EDBDRO O=C1N[C@@H]2CCCC[C@H]2C[C@@H]1[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595461887 450158206 /nfs/dbraw/zinc/15/82/06/450158206.db2.gz QKHSUJXOOVNXIA-CFVMTHIKSA-N 1 0 347.419 1.876 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)n1cc(CCN2CC[NH2+]CC2)nn1 ZINC000603252977 450180401 /nfs/dbraw/zinc/18/04/01/450180401.db2.gz YDFYRIQEPQAEJC-AWEZNQCLSA-N 1 0 344.419 1.552 20 5 EDBDRO COC(=O)C[C@@](C)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccncc1 ZINC000595482942 450174681 /nfs/dbraw/zinc/17/46/81/450174681.db2.gz AQYNDQISXTZIPW-OAHLLOKOSA-N 1 0 333.348 1.254 20 5 EDBDRO O=[N+]([O-])c1cc(CN2CC[NH+](CCCF)CC2)c2c(c1)COCO2 ZINC000599660127 450135863 /nfs/dbraw/zinc/13/58/63/450135863.db2.gz OBUVVUBQFSPLFL-UHFFFAOYSA-N 1 0 339.367 1.939 20 5 EDBDRO CS[C@@H]1CN(Cc2onc(C)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000595433846 450140188 /nfs/dbraw/zinc/14/01/88/450140188.db2.gz VFQCGXOCNZSZHA-WCQYABFASA-N 1 0 326.422 1.903 20 5 EDBDRO CCc1ccc(C(=O)N[C@H]2CCC[N@H+](CCOC)C2)cc1[N+](=O)[O-] ZINC000610437123 450217738 /nfs/dbraw/zinc/21/77/38/450217738.db2.gz AJIRNQDORPFUGV-HNNXBMFYSA-N 1 0 335.404 1.998 20 5 EDBDRO COCC1([NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])CCOCC1 ZINC000595498565 450187097 /nfs/dbraw/zinc/18/70/97/450187097.db2.gz FFCZOGDSEQXHPG-UHFFFAOYSA-N 1 0 340.376 1.767 20 5 EDBDRO O=C1[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCN1C1CCOCC1 ZINC000610479652 450235774 /nfs/dbraw/zinc/23/57/74/450235774.db2.gz LFTJCKWIQJANOJ-WMHVBEDNSA-N 1 0 345.399 1.978 20 5 EDBDRO O=C1[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCN1C1CCOCC1 ZINC000610479650 450236679 /nfs/dbraw/zinc/23/66/79/450236679.db2.gz LFTJCKWIQJANOJ-OICCZTGUSA-N 1 0 345.399 1.978 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832772 450241108 /nfs/dbraw/zinc/24/11/08/450241108.db2.gz JLSYAKSWARAMOK-UHFFFAOYSA-N 1 0 347.375 1.579 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC[C@H](C)[N@@H+]1C ZINC000619581414 450512016 /nfs/dbraw/zinc/51/20/16/450512016.db2.gz DCZBJZQZBWCAAO-HUBLWGQQSA-N 1 0 348.403 1.312 20 5 EDBDRO Cc1ccc([C@@H](C)[NH2+]CCCN(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000610799214 485819276 /nfs/dbraw/zinc/81/92/76/485819276.db2.gz LBTSDWRYUSIRLV-GFCCVEGCSA-N 1 0 329.422 1.835 20 5 EDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCN(C)S(C)(=O)=O ZINC000610799192 485819481 /nfs/dbraw/zinc/81/94/81/485819481.db2.gz IVVZHDCXHNFQIR-ZDUSSCGKSA-N 1 0 343.449 1.787 20 5 EDBDRO C[C@H](CC1CC1)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178000744 533766332 /nfs/dbraw/zinc/76/63/32/533766332.db2.gz HSXFWUNQNACVQY-LLVKDONJSA-N 1 0 327.406 1.651 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c1 ZINC000420423667 518187990 /nfs/dbraw/zinc/18/79/90/518187990.db2.gz NIRHAOTYODAOIP-GHMZBOCLSA-N 1 0 327.406 1.583 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358701649 518189786 /nfs/dbraw/zinc/18/97/86/518189786.db2.gz HMYCLRYRQZQHLZ-LRDDRELGSA-N 1 0 336.392 1.330 20 5 EDBDRO CCCc1n[nH]c(C(=O)NCc2ccc3c(c2)C[NH2+]C3)c1[N+](=O)[O-] ZINC000188695246 521326883 /nfs/dbraw/zinc/32/68/83/521326883.db2.gz MHNJERUKUSDFGJ-UHFFFAOYSA-N 1 0 329.360 1.804 20 5 EDBDRO CCC[N@H+](CC)CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000174643344 527966516 /nfs/dbraw/zinc/96/65/16/527966516.db2.gz ZSTJDJQZOCKXOB-UHFFFAOYSA-N 1 0 327.356 1.961 20 5 EDBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@@](C)(O)C[NH+](C)C ZINC000133042992 528193196 /nfs/dbraw/zinc/19/31/96/528193196.db2.gz AKPJZJKRSRERKI-OAHLLOKOSA-N 1 0 343.355 1.635 20 5 EDBDRO CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174664885 528800989 /nfs/dbraw/zinc/80/09/89/528800989.db2.gz SLDSFRCLIMTABS-CQSZACIVSA-N 1 0 348.359 1.403 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000154230847 529081054 /nfs/dbraw/zinc/08/10/54/529081054.db2.gz KLTJBMAMOXKOOZ-LLVKDONJSA-N 1 0 345.396 1.805 20 5 EDBDRO CC[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000181683549 529175517 /nfs/dbraw/zinc/17/55/17/529175517.db2.gz VOGHOORKJHISRD-SWLSCSKDSA-N 1 0 341.433 1.917 20 5 EDBDRO CC(C)[C@H]1C[N@H+](C)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000332251753 535231673 /nfs/dbraw/zinc/23/16/73/535231673.db2.gz BUNYPVQZPWCXIQ-QGZVFWFLSA-N 1 0 346.431 1.756 20 5 EDBDRO CC(C)[C@H]1C[N@H+](C)CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000332236909 535233004 /nfs/dbraw/zinc/23/30/04/535233004.db2.gz HBCFBSIBJGENHZ-QGZVFWFLSA-N 1 0 346.431 1.756 20 5 EDBDRO CNS(=O)(=O)c1ccc(N[C@H]2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000261625371 536320314 /nfs/dbraw/zinc/32/03/14/536320314.db2.gz BISGETWYTAFYMR-JQWIXIFHSA-N 1 0 342.421 1.432 20 5 EDBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000270489158 536769290 /nfs/dbraw/zinc/76/92/90/536769290.db2.gz UFRVSNPBKHQMKC-DYVFJYSZSA-N 1 0 349.387 1.905 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1 ZINC000270508313 536949867 /nfs/dbraw/zinc/94/98/67/536949867.db2.gz QLVUHQMDHXFBEQ-KGLIPLIRSA-N 1 0 339.417 1.721 20 5 EDBDRO C[C@H](C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-])[NH+]1[C@H](C)CC[C@H]1C ZINC000741017962 579393728 /nfs/dbraw/zinc/39/37/28/579393728.db2.gz DOSRYCORDONCKQ-IJLUTSLNSA-N 1 0 349.387 1.998 20 5 EDBDRO C[N@@H+]1CC[C@]2(CCN(Cn3cc(Br)c([N+](=O)[O-])n3)C2)C1 ZINC000793746061 578509803 /nfs/dbraw/zinc/50/98/03/578509803.db2.gz PVUWJCYVMNTOGO-LBPRGKRZSA-N 1 0 344.213 1.539 20 5 EDBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000729919446 578599024 /nfs/dbraw/zinc/59/90/24/578599024.db2.gz JBJDIQZHIGJTNY-CYBMUJFWSA-N 1 0 348.403 1.255 20 5 EDBDRO C[C@@H](O)C[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000729920544 578599650 /nfs/dbraw/zinc/59/96/50/578599650.db2.gz ZPVSSMJLZIPTQR-LLVKDONJSA-N 1 0 338.364 1.784 20 5 EDBDRO CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1C[NH+]2CCC1CC2 ZINC000732159096 578694935 /nfs/dbraw/zinc/69/49/35/578694935.db2.gz FIPRZHBUWBYWAL-MRXNPFEDSA-N 1 0 343.387 1.497 20 5 EDBDRO CN(Cn1cc(Br)c([N+](=O)[O-])n1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732188293 578695981 /nfs/dbraw/zinc/69/59/81/578695981.db2.gz HKVVRALBDRKOFT-SNVBAGLBSA-N 1 0 344.213 1.680 20 5 EDBDRO CN(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732188509 578696241 /nfs/dbraw/zinc/69/62/41/578696241.db2.gz JYNAOWWRPYXEKZ-MRXNPFEDSA-N 1 0 342.403 1.979 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1ccoc1 ZINC000735087116 578858050 /nfs/dbraw/zinc/85/80/50/578858050.db2.gz XDAOQSQKPCJULO-UHFFFAOYSA-N 1 0 325.346 1.256 20 5 EDBDRO O=C(C[N@@H+]1CC[C@H]2C[C@H]21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000761093406 580047906 /nfs/dbraw/zinc/04/79/06/580047906.db2.gz NSGYBBWSOLANJR-XJKSGUPXSA-N 1 0 330.388 1.338 20 5 EDBDRO Cc1nn(C[N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)c(C)c1[N+](=O)[O-] ZINC000777558015 580444565 /nfs/dbraw/zinc/44/45/65/580444565.db2.gz QCTMGWPJACXCKX-QGZVFWFLSA-N 1 0 341.371 1.961 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000749391183 579724756 /nfs/dbraw/zinc/72/47/56/579724756.db2.gz BIZRSDDKVBPMBK-NSHDSACASA-N 1 0 342.421 1.020 20 5 EDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc([N+](=O)[O-])cc1F ZINC000758355718 579980687 /nfs/dbraw/zinc/98/06/87/579980687.db2.gz AEPGEULALOIQQV-RYUDHWBXSA-N 1 0 338.339 1.719 20 5 EDBDRO O=C1NCCCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000764847035 580129737 /nfs/dbraw/zinc/12/97/37/580129737.db2.gz APQKVORDJCQEIJ-INIZCTEOSA-N 1 0 332.404 1.822 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[NH+](CCCCO)CC3)nc2c1 ZINC000769752343 580244070 /nfs/dbraw/zinc/24/40/70/580244070.db2.gz NJSKGFGGLBWKRN-UHFFFAOYSA-N 1 0 333.392 1.361 20 5 EDBDRO CCNS(=O)(=O)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000772976490 580324589 /nfs/dbraw/zinc/32/45/89/580324589.db2.gz GSXGRYBFODDQAA-AWEZNQCLSA-N 1 0 341.433 1.445 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000773413733 580336773 /nfs/dbraw/zinc/33/67/73/580336773.db2.gz ISRRVNXFCBLMLF-CYBMUJFWSA-N 1 0 348.403 1.504 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000776585660 580422434 /nfs/dbraw/zinc/42/24/34/580422434.db2.gz ZCVULDMUDAGFGP-GOSISDBHSA-N 1 0 349.431 1.672 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)C3CCOCC3)CC2)cc1 ZINC000782778218 580584907 /nfs/dbraw/zinc/58/49/07/580584907.db2.gz QIUJTNOSPIDGBH-GOSISDBHSA-N 1 0 349.431 1.941 20 5 EDBDRO C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000783911059 580608096 /nfs/dbraw/zinc/60/80/96/580608096.db2.gz NDAFOWJKCCTKEO-GJZGRUSLSA-N 1 0 337.420 1.799 20 5 EDBDRO C[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788594665 580725397 /nfs/dbraw/zinc/72/53/97/580725397.db2.gz OJMAFTYJEWAOJX-OCCSQVGLSA-N 1 0 349.435 1.415 20 5 EDBDRO Cc1nn(CN2C[C@H](C)O[C@]3(CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000794701294 580903412 /nfs/dbraw/zinc/90/34/12/580903412.db2.gz IMBFILNFTSSLGA-MEDUHNTESA-N 1 0 347.375 1.485 20 5 EDBDRO CN(CCC[NH+]1CCCC1)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000799025632 581014530 /nfs/dbraw/zinc/01/45/30/581014530.db2.gz CLNUOADDMDBVKL-UHFFFAOYSA-N 1 0 345.403 1.889 20 5 EDBDRO O=Cc1ccc(OCC(=O)OCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000800166638 581045897 /nfs/dbraw/zinc/04/58/97/581045897.db2.gz RNJSTSBQERZSMR-UHFFFAOYSA-N 1 0 336.344 1.815 20 5 EDBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)NCCF ZINC000800498782 581054063 /nfs/dbraw/zinc/05/40/63/581054063.db2.gz QODBYKNUAZCAQM-LBPRGKRZSA-N 1 0 338.383 1.627 20 5 EDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000893077630 590650115 /nfs/dbraw/zinc/65/01/15/590650115.db2.gz BIFWYYAESFFHHG-NWDGAFQWSA-N 1 0 330.388 1.976 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000892211681 590865563 /nfs/dbraw/zinc/86/55/63/590865563.db2.gz LBDYLTZEXRWARW-GXTWGEPZSA-N 1 0 334.376 1.449 20 5 EDBDRO Cc1nn(C)c(C(=O)N2[C@@H](C)CCC[C@H]2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000893027466 591258879 /nfs/dbraw/zinc/25/88/79/591258879.db2.gz VELPBQYCONFTME-AAEUAGOBSA-N 1 0 337.424 1.972 20 5 EDBDRO C[C@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000895782939 591274472 /nfs/dbraw/zinc/27/44/72/591274472.db2.gz NJULEXOCEJIYLY-LBPRGKRZSA-N 1 0 333.388 1.883 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1C ZINC000895991117 591315706 /nfs/dbraw/zinc/31/57/06/591315706.db2.gz NGRZDSUIJNDPST-ZIAGYGMSSA-N 1 0 333.388 1.805 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000896431056 591459503 /nfs/dbraw/zinc/45/95/03/591459503.db2.gz JYHCSJFTUGGBFN-OCCSQVGLSA-N 1 0 347.419 1.875 20 5 EDBDRO COc1c(O)ccc(C[NH2+]C(C)(C)CN2CCOCC2)c1[N+](=O)[O-] ZINC000894913451 591471963 /nfs/dbraw/zinc/47/19/63/591471963.db2.gz ORMNYIHDAGHDKQ-UHFFFAOYSA-N 1 0 339.392 1.509 20 5 EDBDRO C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCN1C ZINC000896536069 591501174 /nfs/dbraw/zinc/50/11/74/591501174.db2.gz UXVFHBKPZHQWDZ-KKBVYLPWSA-N 1 0 346.431 1.449 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000895274282 591695736 /nfs/dbraw/zinc/69/57/36/591695736.db2.gz HUPBVCPSZVFZPH-LLVKDONJSA-N 1 0 344.375 1.383 20 5 EDBDRO CC1(C)C[NH2+]C[C@@H]1Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000900424372 592014801 /nfs/dbraw/zinc/01/48/01/592014801.db2.gz JLWAFOBZLWBOMB-INIZCTEOSA-N 1 0 334.420 1.837 20 5 EDBDRO COCC[C@@H]1C[NH2+]CCN1c1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000900438945 592018397 /nfs/dbraw/zinc/01/83/97/592018397.db2.gz KELGNFZASRUTPB-GFCCVEGCSA-N 1 0 337.376 1.505 20 5 EDBDRO COC[C@@H]1C[NH2+]CCN1c1c2ccc(OC)cc2ncc1[N+](=O)[O-] ZINC000900451904 592021519 /nfs/dbraw/zinc/02/15/19/592021519.db2.gz ZWZBUKDGFAIMAA-NSHDSACASA-N 1 0 332.360 1.576 20 5 EDBDRO Cc1c(C[C@H](C[NH3+])CN(C)Cc2ccccc2[N+](=O)[O-])cnn1C ZINC000903883988 592362613 /nfs/dbraw/zinc/36/26/13/592362613.db2.gz NXZDKEOIEIBDGK-CQSZACIVSA-N 1 0 331.420 1.886 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000908278378 592422475 /nfs/dbraw/zinc/42/24/75/592422475.db2.gz HADSIPYZBWVRPG-IUODEOHRSA-N 1 0 335.360 1.795 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000908576389 592545669 /nfs/dbraw/zinc/54/56/69/592545669.db2.gz BMCKOPBIPZZHBB-UHFFFAOYSA-N 1 0 335.408 1.727 20 5 EDBDRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC[N+](=O)[O-])CC2(CCOCC2)C1 ZINC000905509799 592548528 /nfs/dbraw/zinc/54/85/28/592548528.db2.gz RBWWGDWXDLJOHW-ZDUSSCGKSA-N 1 0 343.424 1.659 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000911634382 592971241 /nfs/dbraw/zinc/97/12/41/592971241.db2.gz NEUHHMLLUZWCDR-LRDDRELGSA-N 1 0 346.387 1.546 20 5 EDBDRO CCO[C@H]1C[NH2+][C@@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000912001549 593048024 /nfs/dbraw/zinc/04/80/24/593048024.db2.gz QVICISNSTCBDNZ-ZIAGYGMSSA-N 1 0 348.403 1.010 20 5 EDBDRO C[C@@H]1CN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C[C@H](C)[N@H+]1C ZINC000840089719 593163202 /nfs/dbraw/zinc/16/32/02/593163202.db2.gz JISMWAMJNGIPDW-OKILXGFUSA-N 1 0 347.419 1.819 20 5 EDBDRO C[NH+](C)CCCS(=O)(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000867018550 593381282 /nfs/dbraw/zinc/38/12/82/593381282.db2.gz SOVZQVGRKWDRPN-UHFFFAOYSA-N 1 0 327.406 1.234 20 5 EDBDRO CN(C[C@@H]1CCC[N@@H+]1C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000817373847 593597986 /nfs/dbraw/zinc/59/79/86/593597986.db2.gz OWHUNRUHBASNOL-AWEZNQCLSA-N 1 0 330.392 1.837 20 5 EDBDRO C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815559048 593642712 /nfs/dbraw/zinc/64/27/12/593642712.db2.gz VUGLDEAXDBQQNC-SNVBAGLBSA-N 1 0 330.410 1.109 20 5 EDBDRO C[C@@H]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@H]1C[NH3+] ZINC000818009568 593656976 /nfs/dbraw/zinc/65/69/76/593656976.db2.gz WBLCWOHGKHKKEC-YPMHNXCESA-N 1 0 331.376 1.388 20 5 EDBDRO CN(C)C(=O)C1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000819068274 593737155 /nfs/dbraw/zinc/73/71/55/593737155.db2.gz KANJXZRACGWQGG-OAHLLOKOSA-N 1 0 335.404 1.866 20 5 EDBDRO COC[C@H](C)OC[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000819150841 593741487 /nfs/dbraw/zinc/74/14/87/593741487.db2.gz SKDAMKKAXHZOGU-GWCFXTLKSA-N 1 0 332.784 1.750 20 5 EDBDRO C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000819264904 593747557 /nfs/dbraw/zinc/74/75/57/593747557.db2.gz IFUVQBGEJDFYDM-PBHICJAKSA-N 1 0 337.420 1.719 20 5 EDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000820504140 593824685 /nfs/dbraw/zinc/82/46/85/593824685.db2.gz QLDBFWPPOIHCDJ-DIOULYMOSA-N 1 0 346.387 1.639 20 5 EDBDRO C[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000820711278 593868845 /nfs/dbraw/zinc/86/88/45/593868845.db2.gz VUIKBQUNPURDNU-GHMZBOCLSA-N 1 0 346.395 1.702 20 5 EDBDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000840407686 593929002 /nfs/dbraw/zinc/92/90/02/593929002.db2.gz QIZDGYOAFPWOSE-OWCLPIDISA-N 1 0 333.388 1.614 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000822724741 594091747 /nfs/dbraw/zinc/09/17/47/594091747.db2.gz VIIBJEGLZXCCER-CQSZACIVSA-N 1 0 332.404 1.331 20 5 EDBDRO Cc1c(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000825197176 594146377 /nfs/dbraw/zinc/14/63/77/594146377.db2.gz UFLPTGRVKYTETC-WDEREUQCSA-N 1 0 336.348 1.977 20 5 EDBDRO C[C@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000825368191 594174360 /nfs/dbraw/zinc/17/43/60/594174360.db2.gz PMMORFAVVXKRSE-CJNGLKHVSA-N 1 0 335.404 1.866 20 5 EDBDRO O=[N+]([O-])c1cnc(N2CCC(c3c[nH]cn3)CC2)c(-c2nn[nH]n2)c1 ZINC000823647947 594224430 /nfs/dbraw/zinc/22/44/30/594224430.db2.gz QPWWNEZIJDNGAT-UHFFFAOYSA-N 1 0 341.335 1.277 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000829216447 594582758 /nfs/dbraw/zinc/58/27/58/594582758.db2.gz YFOPXKQKYLQVMD-GFCCVEGCSA-N 1 0 344.375 1.232 20 5 EDBDRO CC(C)[C@H]1CN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000827500058 594677524 /nfs/dbraw/zinc/67/75/24/594677524.db2.gz YJLRXUSZSJKTFP-OAHLLOKOSA-N 1 0 349.387 1.585 20 5 EDBDRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841164648 594861418 /nfs/dbraw/zinc/86/14/18/594861418.db2.gz KPIYAVZBKBDKJP-VIFPVBQESA-N 1 0 326.740 1.055 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841188947 594865577 /nfs/dbraw/zinc/86/55/77/594865577.db2.gz FAYFFHBHXFTAMS-JTQLQIEISA-N 1 0 340.767 1.397 20 5 EDBDRO CCC[NH2+][C@@H](C)c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000843224028 595043115 /nfs/dbraw/zinc/04/31/15/595043115.db2.gz IZYZBWCYHBRSDE-NSHDSACASA-N 1 0 347.375 1.897 20 5 EDBDRO O=[N+]([O-])c1cc(-c2noc(C[C@@H]3CCC[NH2+]3)n2)ccc1-n1cncn1 ZINC000843237004 595046306 /nfs/dbraw/zinc/04/63/06/595046306.db2.gz IURZIHRIDZVQNP-NSHDSACASA-N 1 0 341.331 1.520 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC(C[NH+](C)C)C2)cc1F ZINC000867324142 595055253 /nfs/dbraw/zinc/05/52/53/595055253.db2.gz RPSVLABFFOASJZ-UHFFFAOYSA-N 1 0 331.369 1.224 20 5 EDBDRO C[C@H](CC[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843455580 595116599 /nfs/dbraw/zinc/11/65/99/595116599.db2.gz RLTLELVBIRKRFL-ZCFIWIBFSA-N 1 0 334.145 1.964 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843457060 595117218 /nfs/dbraw/zinc/11/72/18/595117218.db2.gz RUHOGVCPDBAEMU-UHFFFAOYSA-N 1 0 344.375 1.766 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842486045 595121130 /nfs/dbraw/zinc/12/11/30/595121130.db2.gz YPVSHBDDTWSHHM-CYBMUJFWSA-N 1 0 345.808 1.765 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000842723427 595181231 /nfs/dbraw/zinc/18/12/31/595181231.db2.gz CYHLTLJZDOJTMR-JTQLQIEISA-N 1 0 335.813 1.818 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[NH2+]CC2(C)C)c1 ZINC000842730202 595183242 /nfs/dbraw/zinc/18/32/42/595183242.db2.gz DGGZJUXSBNNKLQ-UHFFFAOYSA-N 1 0 347.824 1.929 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NC2CC3(CC([NH3+])C3)C2)c1[N+](=O)[O-] ZINC000842799237 595203618 /nfs/dbraw/zinc/20/36/18/595203618.db2.gz YDSYEFIZDSRMRF-UHFFFAOYSA-N 1 0 339.417 1.760 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000842916759 595234167 /nfs/dbraw/zinc/23/41/67/595234167.db2.gz ZZYZLQQQYDAYDB-IUCAKERBSA-N 1 0 335.813 1.961 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CO)Cc2ccc(O)cc2)c1 ZINC000843069723 595279866 /nfs/dbraw/zinc/27/98/66/595279866.db2.gz QSFLOCUJSAEVSI-WMLDXEAASA-N 1 0 332.356 1.527 20 5 EDBDRO Cc1cc(C)cc([C@@H](O)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000843091425 595285317 /nfs/dbraw/zinc/28/53/17/595285317.db2.gz CTXIPYGUXXBYPQ-CVEARBPZSA-N 1 0 334.376 1.092 20 5 EDBDRO Cc1ccc([C@@H](O)C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000843108747 595288689 /nfs/dbraw/zinc/28/86/89/595288689.db2.gz ROHVWWBHSZPLEV-AEFFLSMTSA-N 1 0 346.383 1.966 20 5 EDBDRO C[NH+]1CCC(ONC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000846651746 595293751 /nfs/dbraw/zinc/29/37/51/595293751.db2.gz UXQRIWAHDRNECQ-UHFFFAOYSA-N 1 0 345.359 1.536 20 5 EDBDRO O=[N+]([O-])c1ccccc1NCCc1noc(C[C@H]2C[NH2+]CCO2)n1 ZINC000843184710 595300994 /nfs/dbraw/zinc/30/09/94/595300994.db2.gz IDZJJZWSJSKHCY-NSHDSACASA-N 1 0 333.348 1.163 20 5 EDBDRO CCO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@H]1C[NH3+] ZINC000846695416 595303258 /nfs/dbraw/zinc/30/32/58/595303258.db2.gz KNYIQKUKNSTHHH-IAQYHMDHSA-N 1 0 336.392 1.097 20 5 EDBDRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000846931101 595339045 /nfs/dbraw/zinc/33/90/45/595339045.db2.gz XLZSOOREPVEKAM-JKSUJKDBSA-N 1 0 347.415 1.865 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000849420381 595524155 /nfs/dbraw/zinc/52/41/55/595524155.db2.gz TYFHZNXCTPRHDT-VIFPVBQESA-N 1 0 333.435 1.807 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117102283 595531771 /nfs/dbraw/zinc/53/17/71/595531771.db2.gz AUJGDUFDKWCYDR-AWEZNQCLSA-N 1 0 330.344 1.609 20 5 EDBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000853561319 595805236 /nfs/dbraw/zinc/80/52/36/595805236.db2.gz ZBAIZTZKJHSXAR-INIZCTEOSA-N 1 0 329.404 1.998 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000858618832 595846120 /nfs/dbraw/zinc/84/61/20/595846120.db2.gz GXCWEDVRKPHBHM-GFCCVEGCSA-N 1 0 345.808 1.811 20 5 EDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@](O)(C(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000851905025 595969550 /nfs/dbraw/zinc/96/95/50/595969550.db2.gz BAVMZEYBXNAFGV-ACJLOTCBSA-N 1 0 343.383 1.927 20 5 EDBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000851949419 595982132 /nfs/dbraw/zinc/98/21/32/595982132.db2.gz DLASMCULMLXWKY-ONGXEEELSA-N 1 0 326.353 1.848 20 5 EDBDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000851949418 595982190 /nfs/dbraw/zinc/98/21/90/595982190.db2.gz DLASMCULMLXWKY-MWLCHTKSSA-N 1 0 326.353 1.848 20 5 EDBDRO CO[C@@H]1CC[C@@H]([NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000852094294 596042238 /nfs/dbraw/zinc/04/22/38/596042238.db2.gz XKQXHFSZEOHCAE-ZIAGYGMSSA-N 1 0 333.388 1.920 20 5 EDBDRO C/C(=C/C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000854353481 596049109 /nfs/dbraw/zinc/04/91/09/596049109.db2.gz ZVVCHOHAPLJDNS-VWILAXROSA-N 1 0 344.415 1.504 20 5 EDBDRO O=C1OC[C@]2(C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])COCCN12 ZINC000866520426 596238851 /nfs/dbraw/zinc/23/88/51/596238851.db2.gz BCQGQHPNDOUQGO-BBRMVZONSA-N 1 0 333.344 1.393 20 5 EDBDRO CC[C@H](C[NH+](C)C)OC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000870550820 596279996 /nfs/dbraw/zinc/27/99/96/596279996.db2.gz JPEVCFXYOQBQRA-LLVKDONJSA-N 1 0 326.349 1.866 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)ccc1[N+](=O)[O-] ZINC000866827268 596367999 /nfs/dbraw/zinc/36/79/99/596367999.db2.gz KLFDPEKCSFLXTA-GXTWGEPZSA-N 1 0 325.390 1.418 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c1C ZINC000866828335 596369137 /nfs/dbraw/zinc/36/91/37/596369137.db2.gz WDKXITBEVLWSJP-CHWSQXEVSA-N 1 0 339.417 1.727 20 5 EDBDRO C[N@@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1(C)C ZINC000867680925 596493291 /nfs/dbraw/zinc/49/32/91/596493291.db2.gz JGZHHARHAKEWMR-UHFFFAOYSA-N 1 0 327.406 1.700 20 5 EDBDRO O=[N+]([O-])c1cc(CO)c(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1F ZINC000865506080 596593284 /nfs/dbraw/zinc/59/32/84/596593284.db2.gz MZDIHBDMLSFMGC-CZUORRHYSA-N 1 0 339.367 1.262 20 5 EDBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000869766852 596623469 /nfs/dbraw/zinc/62/34/69/596623469.db2.gz YVHFSQOYKGYJCL-UHFFFAOYSA-N 1 0 349.431 1.954 20 5 EDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000866220120 596832209 /nfs/dbraw/zinc/83/22/09/596832209.db2.gz DCLDKCUWRDFLGV-GHMZBOCLSA-N 1 0 330.381 1.689 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000868448265 596841624 /nfs/dbraw/zinc/84/16/24/596841624.db2.gz HHWXXNYOAWEOSZ-ZBFHGGJFSA-N 1 0 332.404 1.873 20 5 EDBDRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000121043073 596880984 /nfs/dbraw/zinc/88/09/84/596880984.db2.gz UAZOACQMLCQQOH-UHFFFAOYSA-N 1 0 342.783 1.597 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000874842093 597194603 /nfs/dbraw/zinc/19/46/03/597194603.db2.gz GGSYZYFBZYWJEZ-LSDHHAIUSA-N 1 0 343.387 1.640 20 5 EDBDRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000876470462 597211873 /nfs/dbraw/zinc/21/18/73/597211873.db2.gz UPGKWVCBTYCDGR-MRXNPFEDSA-N 1 0 337.376 1.014 20 5 EDBDRO CC1(C)[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1[NH3+] ZINC000876551839 597236953 /nfs/dbraw/zinc/23/69/53/597236953.db2.gz YPUAZWCYGPFDLP-GJZGRUSLSA-N 1 0 332.404 1.617 20 5 EDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000876728819 597309583 /nfs/dbraw/zinc/30/95/83/597309583.db2.gz WULAQLBMKSKGDR-DYVFJYSZSA-N 1 0 334.420 1.569 20 5 EDBDRO C[NH2+]CCOCCN(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000877029384 597416600 /nfs/dbraw/zinc/41/66/00/597416600.db2.gz ASHZHIUJNFUTHS-UHFFFAOYSA-N 1 0 347.774 1.624 20 5 EDBDRO CN(C)[C@@]1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCSC1 ZINC000877074742 597426601 /nfs/dbraw/zinc/42/66/01/597426601.db2.gz RKYVZNGSFUOXOD-ORHYLEIMSA-N 1 0 325.438 1.522 20 5 EDBDRO COc1cccc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000877359648 597500908 /nfs/dbraw/zinc/50/09/08/597500908.db2.gz HTNHRNNPEBBVIZ-WPRPVWTQSA-N 1 0 347.293 1.813 20 5 EDBDRO Cn1cc(C[N@@H+]2CCC[C@](CO)(c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000877503695 597526486 /nfs/dbraw/zinc/52/64/86/597526486.db2.gz UGRHTWKRHRPCTG-KRWDZBQOSA-N 1 0 330.388 1.854 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3CC4(CO3)CCOCC4)C2)c1 ZINC000877727268 597551580 /nfs/dbraw/zinc/55/15/80/597551580.db2.gz ACPMJXNPPLZOQV-SSDMNJCBSA-N 1 0 336.392 1.670 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000877981960 597567899 /nfs/dbraw/zinc/56/78/99/597567899.db2.gz CZIAAJKBMYFNGH-NXEZZACHSA-N 1 0 349.778 1.949 20 5 EDBDRO CC[NH+]1CCC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC000878044500 597571780 /nfs/dbraw/zinc/57/17/80/597571780.db2.gz PZOGCTYJBURJKC-UHFFFAOYSA-N 1 0 349.387 1.970 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CCN1c1cc[nH+]cc1 ZINC000881635793 597667386 /nfs/dbraw/zinc/66/73/86/597667386.db2.gz NYEIDQFDSAVLAJ-GFCCVEGCSA-N 1 0 327.344 1.736 20 5 EDBDRO Cc1cncc([C@@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000879750795 597710653 /nfs/dbraw/zinc/71/06/53/597710653.db2.gz WDTGKRALGZVUPA-HOTGVXAUSA-N 1 0 331.376 1.693 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000880129349 597848964 /nfs/dbraw/zinc/84/89/64/597848964.db2.gz HSLPSMYBQRAMJK-HYVNUMGLSA-N 1 0 335.404 1.503 20 5 EDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880585280 597971373 /nfs/dbraw/zinc/97/13/73/597971373.db2.gz GULJQKLXINDCGO-CQSZACIVSA-N 1 0 336.388 1.837 20 5 EDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000882494217 597976981 /nfs/dbraw/zinc/97/69/81/597976981.db2.gz OUXRGUZXXOOBFD-ZDUSSCGKSA-N 1 0 329.360 1.605 20 5 EDBDRO O=[N+]([O-])c1ccccc1Cn1cc(CCCN2CCOCC2)nn1 ZINC000880997070 598048037 /nfs/dbraw/zinc/04/80/37/598048037.db2.gz QQVQHIIEMQBFEX-UHFFFAOYSA-N 1 0 331.376 1.499 20 5 EDBDRO Cc1cc(NCC[N@@H+](C)CCOCCO)c(Cl)cc1[N+](=O)[O-] ZINC000882952604 598114376 /nfs/dbraw/zinc/11/43/76/598114376.db2.gz ZRESJOSICINYGC-UHFFFAOYSA-N 1 0 331.800 1.909 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000916666621 696716345 /nfs/dbraw/zinc/71/63/45/696716345.db2.gz VQZJVRHMLUWLBP-OLZOCXBDSA-N 1 0 339.417 1.475 20 5 EDBDRO C[C@@H](NC(=O)NCCN1CCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000915826947 696032820 /nfs/dbraw/zinc/03/28/20/696032820.db2.gz FUBREAYDDJNQSG-QWHCGFSZSA-N 1 0 336.392 1.676 20 5 EDBDRO Cc1nn(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)c(C)c1[N+](=O)[O-] ZINC000069796414 700074690 /nfs/dbraw/zinc/07/46/90/700074690.db2.gz LJXIPZOAEANRNC-HNNXBMFYSA-N 1 0 337.424 1.410 20 5 EDBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001034643216 710319226 /nfs/dbraw/zinc/31/92/26/710319226.db2.gz KIEVUGSFFXWIBS-MUIFIZLQSA-N 1 0 347.415 1.877 20 5 EDBDRO Cn1nc2c(c1CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000922304630 710789312 /nfs/dbraw/zinc/78/93/12/710789312.db2.gz AABJOWCMKNAULQ-KRWDZBQOSA-N 1 0 330.388 1.814 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000173781866 231032119 /nfs/dbraw/zinc/03/21/19/231032119.db2.gz YEDFGANDUJFADX-GOEBONIOSA-N 1 0 337.424 1.103 20 5 EDBDRO Cc1ncc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(=O)[nH]1 ZINC000447599574 282156176 /nfs/dbraw/zinc/15/61/76/282156176.db2.gz KKUDJDBHKNJADI-QWHCGFSZSA-N 1 0 332.364 1.869 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000068350562 282183816 /nfs/dbraw/zinc/18/38/16/282183816.db2.gz GDXPKTXBLHUUTN-CYBMUJFWSA-N 1 0 335.360 1.339 20 5 EDBDRO CC[C@@H](CO)[NH+]1CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000183378592 529506639 /nfs/dbraw/zinc/50/66/39/529506639.db2.gz IPVHLRINGALKNY-GRNBYLDVSA-N 1 0 347.415 1.913 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000058176238 214493161 /nfs/dbraw/zinc/49/31/61/214493161.db2.gz SWVLETZHEBNHHW-UHFFFAOYSA-N 1 0 343.405 1.318 20 5 EDBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000560001182 306260356 /nfs/dbraw/zinc/26/03/56/306260356.db2.gz FBLSAOVBORWNSV-TZMCWYRMSA-N 1 0 344.375 1.559 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066105879 215013209 /nfs/dbraw/zinc/01/32/09/215013209.db2.gz JYSOIPKNPDBNIR-CQSZACIVSA-N 1 0 339.417 1.762 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000102184054 219189894 /nfs/dbraw/zinc/18/98/94/219189894.db2.gz KLARQNGCONKQMC-UHFFFAOYSA-N 1 0 327.406 1.666 20 5 EDBDRO CC[N@H+](CCNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])C(C)C ZINC000102394123 219200281 /nfs/dbraw/zinc/20/02/81/219200281.db2.gz LLHFWJYFRUSHBF-UHFFFAOYSA-N 1 0 344.437 1.645 20 5 EDBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000066726088 215073397 /nfs/dbraw/zinc/07/33/97/215073397.db2.gz QMEXEOYTHFQBKP-UHFFFAOYSA-N 1 0 345.403 1.902 20 5 EDBDRO CC(C)[NH+]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000067376639 215138555 /nfs/dbraw/zinc/13/85/55/215138555.db2.gz SYAGILVWJPPJGM-INIZCTEOSA-N 1 0 332.404 1.726 20 5 EDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000561239450 306285335 /nfs/dbraw/zinc/28/53/35/306285335.db2.gz VYXAUSGFGQOIOC-CQSZACIVSA-N 1 0 336.392 1.043 20 5 EDBDRO CNC(=O)C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068372041 215303422 /nfs/dbraw/zinc/30/34/22/215303422.db2.gz HBEKKVXLXNMQGC-UHFFFAOYSA-N 1 0 334.376 1.381 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](C)C2)cc1OC ZINC000104189143 219358252 /nfs/dbraw/zinc/35/82/52/219358252.db2.gz FNUQCAWBXVIICH-LLVKDONJSA-N 1 0 337.376 1.684 20 5 EDBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C2)CC1 ZINC000270272601 282716497 /nfs/dbraw/zinc/71/64/97/282716497.db2.gz UXWUXFTYZFNMRK-GFCCVEGCSA-N 1 0 334.376 1.499 20 5 EDBDRO C[NH+](C)C1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000127843028 222888620 /nfs/dbraw/zinc/88/86/20/222888620.db2.gz JVNJAZKUSCXKPT-UHFFFAOYSA-N 1 0 332.404 1.510 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000183270916 234983536 /nfs/dbraw/zinc/98/35/36/234983536.db2.gz VBNBEVCZVFVRNU-UHFFFAOYSA-N 1 0 333.348 1.466 20 5 EDBDRO NS(=O)(=O)c1ccc(CC[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000063201921 138167195 /nfs/dbraw/zinc/16/71/95/138167195.db2.gz DFGPRBWQKVUWMR-UHFFFAOYSA-N 1 0 341.414 1.636 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[NH+]1CCCCCC1 ZINC000077850457 138255659 /nfs/dbraw/zinc/25/56/59/138255659.db2.gz HKFFAMGLOZQAEN-UHFFFAOYSA-N 1 0 348.403 1.834 20 5 EDBDRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090538851 138279313 /nfs/dbraw/zinc/27/93/13/138279313.db2.gz IQBKLLLICUDAGR-YOEHRIQHSA-N 1 0 344.419 1.687 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000124823185 138329914 /nfs/dbraw/zinc/32/99/14/138329914.db2.gz ORFJLPSPKADNQC-ZDUSSCGKSA-N 1 0 334.420 1.517 20 5 EDBDRO Cc1sc(S(=O)(=O)N(CC[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000125699064 138335646 /nfs/dbraw/zinc/33/56/46/138335646.db2.gz ZLBBHWVMAXFCES-UHFFFAOYSA-N 1 0 335.451 1.925 20 5 EDBDRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000185952893 283312354 /nfs/dbraw/zinc/31/23/54/283312354.db2.gz OMQCRMRGJKYCHL-CYBMUJFWSA-N 1 0 337.767 1.131 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2COc3ccccc3C2)c1 ZINC000564845666 306366956 /nfs/dbraw/zinc/36/69/56/306366956.db2.gz VVTGMVGLGRVIRA-GDBMZVCRSA-N 1 0 344.367 1.928 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2C[C@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000565160189 306376581 /nfs/dbraw/zinc/37/65/81/306376581.db2.gz BRMHGLWHONFHDH-KBPBESRZSA-N 1 0 337.376 1.681 20 5 EDBDRO C[C@H]1C[C@H]([NH3+])CCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000565155742 306376425 /nfs/dbraw/zinc/37/64/25/306376425.db2.gz FSEQAKOLSZDMHI-VHSXEESVSA-N 1 0 336.348 1.074 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000565715633 306389726 /nfs/dbraw/zinc/38/97/26/306389726.db2.gz IHEKAXATDQISMG-ZWNOBZJWSA-N 1 0 327.406 1.515 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)c1 ZINC000565887070 306393733 /nfs/dbraw/zinc/39/37/33/306393733.db2.gz FHSWHEXSGFPFFN-CYBMUJFWSA-N 1 0 345.359 1.302 20 5 EDBDRO COC(=O)c1cc(NC(=O)N[C@H](C)C[C@@H](C)[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000566228327 306404590 /nfs/dbraw/zinc/40/45/90/306404590.db2.gz ZJAUAEIQSJPTAW-RKDXNWHRSA-N 1 0 338.364 1.937 20 5 EDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000422809829 283964733 /nfs/dbraw/zinc/96/47/33/283964733.db2.gz SKNVSFIUHJFVTM-CYBMUJFWSA-N 1 0 348.403 1.161 20 5 EDBDRO COC(=O)COc1ccc(CNC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000414788147 304140979 /nfs/dbraw/zinc/14/09/79/304140979.db2.gz CXVCAWGIRQINRG-LBPRGKRZSA-N 1 0 325.365 1.220 20 5 EDBDRO C[NH2+]CCNCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000414828619 304145769 /nfs/dbraw/zinc/14/57/69/304145769.db2.gz LARVJAIDYYKYQW-UHFFFAOYSA-N 1 0 337.298 1.854 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000193416816 138968812 /nfs/dbraw/zinc/96/88/12/138968812.db2.gz IZPUNRDWGAVYQT-LDYMZIIASA-N 1 0 347.368 1.019 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000193705594 138976548 /nfs/dbraw/zinc/97/65/48/138976548.db2.gz FUODGIGDMCZSAE-CQSZACIVSA-N 1 0 348.403 1.363 20 5 EDBDRO CCOC1CC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)(N2CCOCC2)C1 ZINC000195459015 139017017 /nfs/dbraw/zinc/01/70/17/139017017.db2.gz CCVZBGMRDUJARW-UHFFFAOYSA-N 1 0 349.431 1.954 20 5 EDBDRO Cn1nc2c(cc1=O)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000078620789 217089286 /nfs/dbraw/zinc/08/92/86/217089286.db2.gz DWKXYVVMSMJYKS-UHFFFAOYSA-N 1 0 330.344 1.126 20 5 EDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000236686262 139028682 /nfs/dbraw/zinc/02/86/82/139028682.db2.gz ZFKJWTOBWCZKBZ-INIZCTEOSA-N 1 0 331.376 1.884 20 5 EDBDRO CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CC[NH2+]CC1 ZINC000237114786 139041017 /nfs/dbraw/zinc/04/10/17/139041017.db2.gz LZCAUJBCIJMYME-UHFFFAOYSA-N 1 0 329.360 1.605 20 5 EDBDRO CCc1ccc(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1[N+](=O)[O-] ZINC000237136431 139041802 /nfs/dbraw/zinc/04/18/02/139041802.db2.gz IMGJMRLJHWOVGR-AWEZNQCLSA-N 1 0 348.403 1.084 20 5 EDBDRO Cc1c(C(=O)N2CCC[C@H](C[NH3+])C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000237755039 139059720 /nfs/dbraw/zinc/05/97/20/139059720.db2.gz ZCYJLKKDNJHMGS-GFCCVEGCSA-N 1 0 344.375 1.295 20 5 EDBDRO O=C(CC[N@H+]1CC[C@@](O)(C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000081084993 217359801 /nfs/dbraw/zinc/35/98/01/217359801.db2.gz XKFPMZSQJLKGEZ-ZDUSSCGKSA-N 1 0 347.293 1.923 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000415386732 304211184 /nfs/dbraw/zinc/21/11/84/304211184.db2.gz CCYZKFWDGSMHRY-GFCCVEGCSA-N 1 0 334.376 1.266 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248573013 139167750 /nfs/dbraw/zinc/16/77/50/139167750.db2.gz CZUVKHAQYSJGBH-DRZSPHRISA-N 1 0 325.390 1.261 20 5 EDBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000193564805 296283363 /nfs/dbraw/zinc/28/33/63/296283363.db2.gz YPKBVGZIGPYCJM-ZDUSSCGKSA-N 1 0 334.376 1.786 20 5 EDBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249052017 139183922 /nfs/dbraw/zinc/18/39/22/139183922.db2.gz IHFHXXFROFWZGH-CABCVRRESA-N 1 0 326.397 1.025 20 5 EDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000249201487 139189142 /nfs/dbraw/zinc/18/91/42/139189142.db2.gz QZLCYUHLTJDDRE-WFASDCNBSA-N 1 0 346.387 1.476 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000252412864 139204371 /nfs/dbraw/zinc/20/43/71/139204371.db2.gz OOVUGVMCRGTEHU-GDGBQDQQSA-N 1 0 331.781 1.053 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000261687428 139217511 /nfs/dbraw/zinc/21/75/11/139217511.db2.gz ISYPYEFQMNCLGL-WDEREUQCSA-N 1 0 343.405 1.270 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000261687469 139217539 /nfs/dbraw/zinc/21/75/39/139217539.db2.gz IUMWBUXZNFCJDY-ZYHUDNBSSA-N 1 0 343.405 1.351 20 5 EDBDRO NC(=O)c1ccc(CN2CCC([NH2+]CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000261713142 139219788 /nfs/dbraw/zinc/21/97/88/139219788.db2.gz PXKAAVHHHJKAFR-UHFFFAOYSA-N 1 0 332.404 1.658 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000261725646 139220906 /nfs/dbraw/zinc/22/09/06/139220906.db2.gz RECCURCBFKNORK-CQSZACIVSA-N 1 0 347.396 1.760 20 5 EDBDRO COCC1(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)CC[NH2+]CC1 ZINC000261748270 139222844 /nfs/dbraw/zinc/22/28/44/139222844.db2.gz OVVQWPOWXPNULY-UHFFFAOYSA-N 1 0 327.406 1.711 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 ZINC000261975058 139241119 /nfs/dbraw/zinc/24/11/19/139241119.db2.gz ZMFMDFBZUXUWMX-QWRGUYRKSA-N 1 0 342.421 1.019 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000261984670 139241883 /nfs/dbraw/zinc/24/18/83/139241883.db2.gz AULODUZTWDUJSK-UHFFFAOYSA-N 1 0 347.824 1.977 20 5 EDBDRO CCOc1cc(NC(=O)N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC ZINC000414754046 250862646 /nfs/dbraw/zinc/86/26/46/250862646.db2.gz FMMRKHJTRQJQAX-SNVBAGLBSA-N 1 0 338.364 1.957 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000569237804 306501073 /nfs/dbraw/zinc/50/10/73/306501073.db2.gz FJOGOBQUGCFZHI-NSHDSACASA-N 1 0 345.359 1.204 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c(Cl)c1 ZINC000262393528 139275811 /nfs/dbraw/zinc/27/58/11/139275811.db2.gz BPAPBGANRGBDRM-CABZTGNLSA-N 1 0 345.808 1.621 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417757844 251257536 /nfs/dbraw/zinc/25/75/36/251257536.db2.gz BSIVBDIAVCEUQQ-RBSFLKMASA-N 1 0 332.404 1.825 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)NC2CC[NH2+]CC2)cc1SC ZINC000262507056 139283222 /nfs/dbraw/zinc/28/32/22/139283222.db2.gz KRCDXDCRWRAMKZ-UHFFFAOYSA-N 1 0 325.390 1.807 20 5 EDBDRO COc1cc(C[NH2+][C@H]2CCN(CC(F)F)C2)c([N+](=O)[O-])cc1O ZINC000418130664 251339441 /nfs/dbraw/zinc/33/94/41/251339441.db2.gz GUTYYSCETMQKLX-JTQLQIEISA-N 1 0 331.319 1.738 20 5 EDBDRO COc1cc(S(=O)(=O)N(C)CC(C)(C)C[NH3+])ccc1[N+](=O)[O-] ZINC000262731117 139299551 /nfs/dbraw/zinc/29/95/51/139299551.db2.gz DJWKNLSRDJXSLV-UHFFFAOYSA-N 1 0 331.394 1.209 20 5 EDBDRO COc1ccnc(CN[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000424310809 252194458 /nfs/dbraw/zinc/19/44/58/252194458.db2.gz SWLCXKPBZFQPKM-LLVKDONJSA-N 1 0 345.359 1.900 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415613983 304238961 /nfs/dbraw/zinc/23/89/61/304238961.db2.gz AWSOBSZIFDAQEM-UFBFGSQYSA-N 1 0 340.767 1.301 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415667180 304252362 /nfs/dbraw/zinc/25/23/62/304252362.db2.gz XRANDTJXGXTYAI-JQWIXIFHSA-N 1 0 334.376 1.352 20 5 EDBDRO CC(C)(C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000442514471 254549345 /nfs/dbraw/zinc/54/93/45/254549345.db2.gz VAXDGCXYZHXPMJ-CQSZACIVSA-N 1 0 335.408 1.517 20 5 EDBDRO CC[NH2+]Cc1cccc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c1 ZINC000570333170 306537823 /nfs/dbraw/zinc/53/78/23/306537823.db2.gz UWVLMAXPUDVMRQ-UHFFFAOYSA-N 1 0 330.344 1.505 20 5 EDBDRO CCn1c(CC[NH3+])nnc1Sc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153895512 224173329 /nfs/dbraw/zinc/17/33/29/224173329.db2.gz YLKNYGWPPAXRQP-UHFFFAOYSA-N 1 0 328.785 1.907 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1F ZINC000154313730 224236482 /nfs/dbraw/zinc/23/64/82/224236482.db2.gz MEXAYPKUAQWXIV-NSHDSACASA-N 1 0 345.396 1.757 20 5 EDBDRO C[C@@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000493630552 255217208 /nfs/dbraw/zinc/21/72/08/255217208.db2.gz ZNBSATHEYJTNQT-AFNCTOJWSA-N 1 0 332.404 1.360 20 5 EDBDRO NC(=O)C1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000570590199 306546035 /nfs/dbraw/zinc/54/60/35/306546035.db2.gz ZZJPHWZACZLNDG-CHWSQXEVSA-N 1 0 335.408 1.910 20 5 EDBDRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@]1(C)C[NH3+] ZINC000415843862 304280364 /nfs/dbraw/zinc/28/03/64/304280364.db2.gz SNEASPKGKYUDGZ-RFAUZJTJSA-N 1 0 338.339 1.116 20 5 EDBDRO Nc1nc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000264333034 139397955 /nfs/dbraw/zinc/39/79/55/139397955.db2.gz TYVUDOCYHYOTCZ-CQSZACIVSA-N 1 0 342.403 1.944 20 5 EDBDRO CN(C)c1cccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000571432759 306565831 /nfs/dbraw/zinc/56/58/31/306565831.db2.gz HEYUKQBYMFANGA-OAHLLOKOSA-N 1 0 346.387 1.585 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268169317 139732413 /nfs/dbraw/zinc/73/24/13/139732413.db2.gz PQAPTPUKMCJKOV-RISCZKNCSA-N 1 0 339.417 1.664 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000271357006 140284391 /nfs/dbraw/zinc/28/43/91/140284391.db2.gz FSQPNBKUJRSHMB-OCCSQVGLSA-N 1 0 343.387 1.721 20 5 EDBDRO C[C@]1(CO)CCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000331659703 141063534 /nfs/dbraw/zinc/06/35/34/141063534.db2.gz OAMCXSXPUUJRJY-NVXWUHKLSA-N 1 0 333.388 1.625 20 5 EDBDRO C[NH+](C)[C@H]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000332144661 141130441 /nfs/dbraw/zinc/13/04/41/141130441.db2.gz MZSRUDCVCKPTJY-LBPRGKRZSA-N 1 0 335.360 1.071 20 5 EDBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)c1 ZINC000339759976 142147577 /nfs/dbraw/zinc/14/75/77/142147577.db2.gz KPMLTTQAYNAQTC-IRXDYDNUSA-N 1 0 336.388 1.883 20 5 EDBDRO O=C(C[NH+]1CCCC1)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000343660748 142870683 /nfs/dbraw/zinc/87/06/83/142870683.db2.gz FYZGQKSNWOLDMY-UHFFFAOYSA-N 1 0 332.404 1.335 20 5 EDBDRO Cn1nccc1[C@@H]1[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)CCC[N@@H+]1C ZINC000345166020 143060108 /nfs/dbraw/zinc/06/01/08/143060108.db2.gz VOBFCEPDJWFFNH-ABAIWWIYSA-N 1 0 347.375 1.734 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000345873690 143142029 /nfs/dbraw/zinc/14/20/29/143142029.db2.gz IAWUKACGZKPNGE-QWHCGFSZSA-N 1 0 337.424 1.869 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346082502 143165663 /nfs/dbraw/zinc/16/56/63/143165663.db2.gz GRCMQXPTPCXXMW-UHFFFAOYSA-N 1 0 329.784 1.898 20 5 EDBDRO CCN(CC[NH+]1CCCCCC1)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000346312375 143190505 /nfs/dbraw/zinc/19/05/05/143190505.db2.gz YQYVBYDWOGQHFD-UHFFFAOYSA-N 1 0 337.424 1.824 20 5 EDBDRO COc1ccc(OCC[N@@H+]2CCSC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000347384238 143315266 /nfs/dbraw/zinc/31/52/66/143315266.db2.gz XTPUUJFCOJSQPF-GFCCVEGCSA-N 1 0 342.417 1.782 20 5 EDBDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCCC2 ZINC000347707349 143352449 /nfs/dbraw/zinc/35/24/49/143352449.db2.gz MUYJNRDUECPQKN-RBSFLKMASA-N 1 0 338.408 1.480 20 5 EDBDRO C[NH+](C)CC(C)(C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000416506134 304326235 /nfs/dbraw/zinc/32/62/35/304326235.db2.gz FIIDDAULLDVERP-UHFFFAOYSA-N 1 0 329.422 1.397 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000104747886 292171937 /nfs/dbraw/zinc/17/19/37/292171937.db2.gz SQRMTYLYJJKSGV-GFCCVEGCSA-N 1 0 327.406 1.475 20 5 EDBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000341066213 149060751 /nfs/dbraw/zinc/06/07/51/149060751.db2.gz KFZHOQRSARUMNA-BETUJISGSA-N 1 0 336.392 1.136 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352666177 149109469 /nfs/dbraw/zinc/10/94/69/149109469.db2.gz GUNSVYOPPGOKIA-UONOGXRCSA-N 1 0 337.376 1.777 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@](C)(CO)C(C)C)c([N+](=O)[O-])c1 ZINC000352908935 149212070 /nfs/dbraw/zinc/21/20/70/149212070.db2.gz IRFFCYDGEKSSOA-MRXNPFEDSA-N 1 0 339.392 1.929 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2CCC[N@H+]2C)c1 ZINC000353055728 149268319 /nfs/dbraw/zinc/26/83/19/149268319.db2.gz GXFNRCDQFOIXKJ-GFCCVEGCSA-N 1 0 327.406 1.584 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000353207624 149324277 /nfs/dbraw/zinc/32/42/77/149324277.db2.gz JFALJAGKNQSRIX-DGCLKSJQSA-N 1 0 338.360 1.397 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000354921762 150033137 /nfs/dbraw/zinc/03/31/37/150033137.db2.gz AJIFMDRWMOXKHC-FZMZJTMJSA-N 1 0 338.360 1.349 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000355726526 150376931 /nfs/dbraw/zinc/37/69/31/150376931.db2.gz KLKNIUSKSVYWNU-MRXNPFEDSA-N 1 0 338.360 1.493 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000357426856 151029863 /nfs/dbraw/zinc/02/98/63/151029863.db2.gz ZWVDMNUDCPTGQV-OCCSQVGLSA-N 1 0 348.403 1.314 20 5 EDBDRO CS[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH+](C)C ZINC000357913587 151193454 /nfs/dbraw/zinc/19/34/54/151193454.db2.gz ONKYXKNXWBFBPK-UONOGXRCSA-N 1 0 341.408 1.780 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000358518295 151403019 /nfs/dbraw/zinc/40/30/19/151403019.db2.gz VJTMQJFQFQATIR-ONGXEEELSA-N 1 0 343.767 1.202 20 5 EDBDRO Cc1sc(C(=O)N2CCCN(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000360572473 152103935 /nfs/dbraw/zinc/10/39/35/152103935.db2.gz KYMAGSDTOAOKIL-UHFFFAOYSA-N 1 0 340.449 1.674 20 5 EDBDRO C[C@@H](NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000417145594 304377653 /nfs/dbraw/zinc/37/76/53/304377653.db2.gz WZPOUPSKCNDGLR-CJNGLKHVSA-N 1 0 347.419 1.345 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000360902246 152246056 /nfs/dbraw/zinc/24/60/56/152246056.db2.gz XLGBFKQJZXAULS-LBPRGKRZSA-N 1 0 339.440 1.649 20 5 EDBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000361069716 152294451 /nfs/dbraw/zinc/29/44/51/152294451.db2.gz TTWDAXAOAXMQCY-NWDGAFQWSA-N 1 0 333.344 1.680 20 5 EDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361111443 152308568 /nfs/dbraw/zinc/30/85/68/152308568.db2.gz RPNSFIRBGLCPKZ-HIFRSBDPSA-N 1 0 332.404 1.901 20 5 EDBDRO C[C@]1([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)NC(=O)NC1=O ZINC000364354727 153215530 /nfs/dbraw/zinc/21/55/30/153215530.db2.gz AHMADEBGYJZZQN-MLGOLLRUSA-N 1 0 332.360 1.405 20 5 EDBDRO COc1ccc(CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000417196329 304383559 /nfs/dbraw/zinc/38/35/59/304383559.db2.gz OYCNJLRIMCOUFH-DGCLKSJQSA-N 1 0 336.392 1.920 20 5 EDBDRO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000364959776 153383912 /nfs/dbraw/zinc/38/39/12/153383912.db2.gz YDGBSRFJPJEJHJ-QAETUUGQSA-N 1 0 331.416 1.850 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000367383430 154097703 /nfs/dbraw/zinc/09/77/03/154097703.db2.gz FPBFJKGYFDTOHF-UHFFFAOYSA-N 1 0 346.318 1.792 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000367454838 154128571 /nfs/dbraw/zinc/12/85/71/154128571.db2.gz XMFXEDJAPCAAHD-AWEZNQCLSA-N 1 0 346.431 1.835 20 5 EDBDRO O=C1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](C2CC2)N1 ZINC000367456894 154131601 /nfs/dbraw/zinc/13/16/01/154131601.db2.gz DGQAOASHVDRQHL-BZNIZROVSA-N 1 0 330.344 1.883 20 5 EDBDRO CC(C)N1CCC[C@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000369494394 155058801 /nfs/dbraw/zinc/05/88/01/155058801.db2.gz QANACBFNDMAPEL-AWEZNQCLSA-N 1 0 335.408 1.828 20 5 EDBDRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000371975365 156192771 /nfs/dbraw/zinc/19/27/71/156192771.db2.gz XPOBRYWAZRNEPZ-UHFFFAOYSA-N 1 0 341.371 1.779 20 5 EDBDRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000377259493 157906889 /nfs/dbraw/zinc/90/68/89/157906889.db2.gz LVDHWQVSELIEPU-CQSZACIVSA-N 1 0 347.375 1.197 20 5 EDBDRO Cc1cc(N2CCN(C[C@H]3CN(C)CCO3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000377918851 158028916 /nfs/dbraw/zinc/02/89/16/158028916.db2.gz SIKKQXSLGUENIC-LSDHHAIUSA-N 1 0 349.435 1.139 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000378315202 158138298 /nfs/dbraw/zinc/13/82/98/158138298.db2.gz RGBIUERTMASEBQ-ZDUSSCGKSA-N 1 0 329.360 1.426 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000378489784 158188902 /nfs/dbraw/zinc/18/89/02/158188902.db2.gz BGHPSYSOWUECKA-NSHDSACASA-N 1 0 327.406 1.717 20 5 EDBDRO [NH3+]CC[C@H]1CCCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000352488262 162208562 /nfs/dbraw/zinc/20/85/62/162208562.db2.gz OCVZZVLGZCWLEZ-CQSZACIVSA-N 1 0 332.404 1.687 20 5 EDBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000352512604 162222480 /nfs/dbraw/zinc/22/24/80/162222480.db2.gz PSGTVZSDKCKUQG-ZDUSSCGKSA-N 1 0 327.406 1.748 20 5 EDBDRO CNC(=O)c1ccc(NC[C@H](O)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000053562027 287225236 /nfs/dbraw/zinc/22/52/36/287225236.db2.gz IBSANRPHQHDXSL-ZDUSSCGKSA-N 1 0 336.392 1.213 20 5 EDBDRO CC[NH+]1CCN(CCC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000079975690 287304559 /nfs/dbraw/zinc/30/45/59/287304559.db2.gz ZIAQGYRBXLNDAB-UHFFFAOYSA-N 1 0 348.447 1.974 20 5 EDBDRO C[NH+](C)CCOc1ccccc1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000122942825 222186600 /nfs/dbraw/zinc/18/66/00/222186600.db2.gz BLNMYATWHLAMHA-UHFFFAOYSA-N 1 0 347.375 1.048 20 5 EDBDRO Cn1cc(C[NH2+]CC2(CO)COC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000123015944 222200472 /nfs/dbraw/zinc/20/04/72/222200472.db2.gz PVEFHMFQBSBMQP-UHFFFAOYSA-N 1 0 332.360 1.094 20 5 EDBDRO Cc1c(CC(=O)NCC2([NH+](C)C)CCOCC2)cccc1[N+](=O)[O-] ZINC000123134368 222222341 /nfs/dbraw/zinc/22/23/41/222222341.db2.gz RWPOQYLEKNKWJZ-UHFFFAOYSA-N 1 0 335.404 1.673 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]C[C@@H]1CC=CCC1 ZINC000123265259 222244930 /nfs/dbraw/zinc/24/49/30/222244930.db2.gz WEMMZZXGZWDJGG-CYBMUJFWSA-N 1 0 339.417 1.819 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(C[NH3+])CCCC1 ZINC000124058425 222371771 /nfs/dbraw/zinc/37/17/71/222371771.db2.gz IPGAUFMPYBLTLJ-UHFFFAOYSA-N 1 0 327.406 1.707 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000186942036 533684197 /nfs/dbraw/zinc/68/41/97/533684197.db2.gz AGWRGTMYQHXMDD-NWDGAFQWSA-N 1 0 346.387 1.603 20 5 EDBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000238089420 273014328 /nfs/dbraw/zinc/01/43/28/273014328.db2.gz NRGHPIDVYQPGID-LBPRGKRZSA-N 1 0 329.360 1.591 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273385401 268038202 /nfs/dbraw/zinc/03/82/02/268038202.db2.gz JDHMADRPVFDCHK-JTQLQIEISA-N 1 0 326.328 1.576 20 5 EDBDRO C[N@H+](CCCO)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000275146783 268287023 /nfs/dbraw/zinc/28/70/23/268287023.db2.gz QXAPKVBNPUSERS-UHFFFAOYSA-N 1 0 336.392 1.096 20 5 EDBDRO COCCO[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000275508086 268353155 /nfs/dbraw/zinc/35/31/55/268353155.db2.gz HQZDTIJSAVDULG-ZIAGYGMSSA-N 1 0 340.376 1.072 20 5 EDBDRO COC(=O)CC1([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCC1 ZINC000280479054 268962729 /nfs/dbraw/zinc/96/27/29/268962729.db2.gz PLYMDABSFWGOAZ-UHFFFAOYSA-N 1 0 335.360 1.659 20 5 EDBDRO NS(=O)(=O)c1cccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000273438869 273039744 /nfs/dbraw/zinc/03/97/44/273039744.db2.gz CJWDNFBGOQSOJH-PWSUYJOCSA-N 1 0 340.405 1.281 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000044669944 272911085 /nfs/dbraw/zinc/91/10/85/272911085.db2.gz GNRDRCKLZBVTIG-INIZCTEOSA-N 1 0 343.387 1.745 20 5 EDBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCC2CC2)c([N+](=O)[O-])c1 ZINC000171830112 272932401 /nfs/dbraw/zinc/93/24/01/272932401.db2.gz ACOLPGNIUBWECZ-UHFFFAOYSA-N 1 0 342.421 1.257 20 5 EDBDRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000278911526 273270531 /nfs/dbraw/zinc/27/05/31/273270531.db2.gz ZMFOROJBMIQBFY-CORIIIEPSA-N 1 0 337.376 1.705 20 5 EDBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](C)(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000280795056 273399239 /nfs/dbraw/zinc/39/92/39/273399239.db2.gz RLZUCQPMQQKNPM-BDJLRTHQSA-N 1 0 334.376 1.428 20 5 EDBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[N@H+](CCO)C[C@@H]1C ZINC000450957233 274140363 /nfs/dbraw/zinc/14/03/63/274140363.db2.gz UADPKSGAQCQUGU-LBPRGKRZSA-N 1 0 346.387 1.654 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000158387376 274243114 /nfs/dbraw/zinc/24/31/14/274243114.db2.gz NUALXBCVNADSDF-KYOSRNDESA-N 1 0 348.403 1.347 20 5 EDBDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285303968 274506383 /nfs/dbraw/zinc/50/63/83/274506383.db2.gz DMASTUHPLCCBNF-CQSZACIVSA-N 1 0 329.360 1.885 20 5 EDBDRO O=C1[C@@H](N2CCC[N@@H+](C3CC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000172543336 275027600 /nfs/dbraw/zinc/02/76/00/275027600.db2.gz ILOPIAJNUWHMBO-KRWDZBQOSA-N 1 0 344.415 1.870 20 5 EDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000264425639 276212458 /nfs/dbraw/zinc/21/24/58/276212458.db2.gz AGFGUVPXARHQRY-NSHDSACASA-N 1 0 335.360 1.438 20 5 EDBDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000495492880 276282355 /nfs/dbraw/zinc/28/23/55/276282355.db2.gz RVFQMGTXZDWQGW-LLVKDONJSA-N 1 0 339.396 1.675 20 5 EDBDRO CCOC(=O)c1ccnc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1[N+](=O)[O-] ZINC000420224467 276300778 /nfs/dbraw/zinc/30/07/78/276300778.db2.gz AYSNFWQOXXEOMO-CYZMBNFOSA-N 1 0 334.376 1.730 20 5 EDBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000362016962 276341758 /nfs/dbraw/zinc/34/17/58/276341758.db2.gz BCWLVZXNSHYSGX-NILFDRSVSA-N 1 0 337.376 1.705 20 5 EDBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000285945587 287897967 /nfs/dbraw/zinc/89/79/67/287897967.db2.gz GBXDTVOPBUMKBU-ZDUSSCGKSA-N 1 0 344.375 1.519 20 5 EDBDRO CN1CC[NH+](C[C@H]2CCCN(c3cc(N)ccc3[N+](=O)[O-])C2)CC1 ZINC000367164326 276927823 /nfs/dbraw/zinc/92/78/23/276927823.db2.gz HSUVLQKJYCXDHB-CQSZACIVSA-N 1 0 333.436 1.641 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CC[NH2+]C[C@](C)(F)C2)c1[N+](=O)[O-] ZINC000420257589 277150751 /nfs/dbraw/zinc/15/07/51/277150751.db2.gz FCCKQXPSSSWKJQ-AWEZNQCLSA-N 1 0 326.328 1.223 20 5 EDBDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000342078442 277384100 /nfs/dbraw/zinc/38/41/00/277384100.db2.gz GOUXVOWSOGPIKP-CZUORRHYSA-N 1 0 346.387 1.801 20 5 EDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000286906244 288115330 /nfs/dbraw/zinc/11/53/30/288115330.db2.gz LZYBRCPOLSOEBQ-HFTRVMKXSA-N 1 0 349.431 1.893 20 5 EDBDRO O=C(CN1CCC[C@H]2C[NH2+]C[C@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420344895 279770694 /nfs/dbraw/zinc/77/06/94/279770694.db2.gz UYULNVPIVFYFIW-XJKSGUPXSA-N 1 0 330.388 1.168 20 5 EDBDRO Cc1cc(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])ccc1[N+](=O)[O-] ZINC000193694315 280323959 /nfs/dbraw/zinc/32/39/59/280323959.db2.gz SAVWQHNYQMWVFZ-AWEZNQCLSA-N 1 0 348.403 1.363 20 5 EDBDRO CC[C@H](C)[N@H+](CCO)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000287465064 288244023 /nfs/dbraw/zinc/24/40/23/288244023.db2.gz RLGQVGOUYNHGEM-JTQLQIEISA-N 1 0 339.348 1.355 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000287611542 288277186 /nfs/dbraw/zinc/27/71/86/288277186.db2.gz YVYBTNQQNLXKHR-LLVKDONJSA-N 1 0 346.391 1.291 20 5 EDBDRO COC(=O)CC[C@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000288797484 288569533 /nfs/dbraw/zinc/56/95/33/288569533.db2.gz RIDZTMCVJWRRFH-AWEZNQCLSA-N 1 0 337.376 1.612 20 5 EDBDRO CC(C)(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000289144897 288639133 /nfs/dbraw/zinc/63/91/33/288639133.db2.gz FVZQMKDTDZKKAG-MRXNPFEDSA-N 1 0 346.431 1.379 20 5 EDBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290410547 288895010 /nfs/dbraw/zinc/89/50/10/288895010.db2.gz MMMVSHYHFJYBCD-KBPBESRZSA-N 1 0 328.372 1.617 20 5 EDBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292290815 289308583 /nfs/dbraw/zinc/30/85/83/289308583.db2.gz UENPFQMCTPXVMK-AWEZNQCLSA-N 1 0 327.406 1.103 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000292564603 289382870 /nfs/dbraw/zinc/38/28/70/289382870.db2.gz UFDYLNJFDJMHBP-YGRLFVJLSA-N 1 0 333.344 1.205 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)c1C ZINC000292638488 289401408 /nfs/dbraw/zinc/40/14/08/289401408.db2.gz NECWJBOUFFEWAY-JTQLQIEISA-N 1 0 329.422 1.688 20 5 EDBDRO CCNC(=O)[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000293167081 289539314 /nfs/dbraw/zinc/53/93/14/289539314.db2.gz GCFWAXZLUVLHQZ-HIFRSBDPSA-N 1 0 339.392 1.085 20 5 EDBDRO C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCOCC1 ZINC000331738848 289698189 /nfs/dbraw/zinc/69/81/89/289698189.db2.gz VCAHKZFGJBDSAG-QLFBSQMISA-N 1 0 337.424 1.585 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000237318168 295188465 /nfs/dbraw/zinc/18/84/65/295188465.db2.gz UBVOINCXDASEAO-ZYHUDNBSSA-N 1 0 343.405 1.494 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000261793238 295189459 /nfs/dbraw/zinc/18/94/59/295189459.db2.gz UBVOINCXDASEAO-JQWIXIFHSA-N 1 0 343.405 1.494 20 5 EDBDRO CS(=O)(=O)c1ccc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000262410902 295557360 /nfs/dbraw/zinc/55/73/60/295557360.db2.gz DDDQWVOPJKTUKO-WDEREUQCSA-N 1 0 325.390 1.044 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000419270441 304584516 /nfs/dbraw/zinc/58/45/16/304584516.db2.gz NKNKSYORAFGMOT-NSHDSACASA-N 1 0 334.376 1.030 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000173239996 302041803 /nfs/dbraw/zinc/04/18/03/302041803.db2.gz LLIUOFVODCDTNQ-STQMWFEESA-N 1 0 341.433 1.864 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCN(C)c2cc[nH+]cc21 ZINC000176974638 302044020 /nfs/dbraw/zinc/04/40/20/302044020.db2.gz XVDZPUDWFHCYKR-UHFFFAOYSA-N 1 0 348.384 1.943 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000261863899 302048059 /nfs/dbraw/zinc/04/80/59/302048059.db2.gz GJDDAEBYUXRSPJ-NWDGAFQWSA-N 1 0 327.406 1.570 20 5 EDBDRO C[C@@H](CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C[NH+](C)C ZINC000293719849 303008871 /nfs/dbraw/zinc/00/88/71/303008871.db2.gz JWBUBYKGGLXTNO-XHDPSFHLSA-N 1 0 334.376 1.402 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000361858026 303044410 /nfs/dbraw/zinc/04/44/10/303044410.db2.gz NRECMRKGMFOPMM-CYBMUJFWSA-N 1 0 341.371 1.953 20 5 EDBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1[N+](=O)[O-] ZINC000295339523 303206779 /nfs/dbraw/zinc/20/67/79/303206779.db2.gz DNCGDQGSACSSPS-NSHDSACASA-N 1 0 339.396 1.018 20 5 EDBDRO C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295531207 303230720 /nfs/dbraw/zinc/23/07/20/303230720.db2.gz JOJIGPALHXZUPG-ZDUSSCGKSA-N 1 0 332.404 1.949 20 5 EDBDRO CC1(C)[C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]2CCO[C@@H]21 ZINC000296049860 303292263 /nfs/dbraw/zinc/29/22/63/303292263.db2.gz FSFGGRRTAQSLBQ-XKQJLSEDSA-N 1 0 345.399 1.887 20 5 EDBDRO C[C@H]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)[C@@H](C)[C@H]1[NH3+] ZINC000297313282 303384762 /nfs/dbraw/zinc/38/47/62/303384762.db2.gz GCSJCNDPBNWXHZ-UBJUHAIHSA-N 1 0 335.389 1.797 20 5 EDBDRO Cc1cc(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000297785936 303444411 /nfs/dbraw/zinc/44/44/11/303444411.db2.gz HAPBCRCTWHICBI-UHFFFAOYSA-N 1 0 348.403 1.831 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000302101024 303712570 /nfs/dbraw/zinc/71/25/70/303712570.db2.gz PWIYSGONQISZGV-UHFFFAOYSA-N 1 0 333.348 1.883 20 5 EDBDRO CC1CC[NH+](C[C@H](O)CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000304310073 303752433 /nfs/dbraw/zinc/75/24/33/303752433.db2.gz KCCJSINRLWIORM-MRXNPFEDSA-N 1 0 335.404 1.346 20 5 EDBDRO O=C(NCCCC[NH+]1CCOCC1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000342924926 303765876 /nfs/dbraw/zinc/76/58/76/303765876.db2.gz LQVQBAHVGWELRF-UHFFFAOYSA-N 1 0 346.387 1.918 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@H]([NH+](C)C)C2)c1F ZINC000411933626 303938238 /nfs/dbraw/zinc/93/82/38/303938238.db2.gz DNLOYKWMXQJXGR-NSHDSACASA-N 1 0 339.367 1.838 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423532883 304898113 /nfs/dbraw/zinc/89/81/13/304898113.db2.gz RWQLMAUTXRJVMM-GHMZBOCLSA-N 1 0 335.360 1.581 20 5 EDBDRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000423825980 304910815 /nfs/dbraw/zinc/91/08/15/304910815.db2.gz LSZLIXCFDSVCOH-DZGCQCFKSA-N 1 0 335.408 1.589 20 5 EDBDRO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2OC)CC[N@@H+]1C[C@H](C)O ZINC000430231210 305048017 /nfs/dbraw/zinc/04/80/17/305048017.db2.gz XMZGNVLFHUYBGX-ZFWWWQNUSA-N 1 0 337.420 1.880 20 5 EDBDRO CNC(=O)[C@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430255773 305048949 /nfs/dbraw/zinc/04/89/49/305048949.db2.gz GSSZWWPRMBCTHZ-BDJLRTHQSA-N 1 0 334.376 1.380 20 5 EDBDRO C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000430951657 305070388 /nfs/dbraw/zinc/07/03/88/305070388.db2.gz WAAOSADUGLCQFZ-UWVGGRQHSA-N 1 0 326.784 1.869 20 5 EDBDRO C[NH2+]C[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430967574 305071716 /nfs/dbraw/zinc/07/17/16/305071716.db2.gz UAFRSCVWYAUVMV-NEPJUHHUSA-N 1 0 336.392 1.472 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(NCC(=O)NCC[NH+]2CCCCCC2)n1 ZINC000431492533 305078083 /nfs/dbraw/zinc/07/80/83/305078083.db2.gz DKWSFEGFTXBPQL-UHFFFAOYSA-N 1 0 335.408 1.702 20 5 EDBDRO COc1cc(CN2CC[NH2+]CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000435376958 305139269 /nfs/dbraw/zinc/13/92/69/305139269.db2.gz WSGABDDOUHRYFT-UHFFFAOYSA-N 1 0 349.309 1.950 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000440418169 305206260 /nfs/dbraw/zinc/20/62/60/305206260.db2.gz RWIUKUZRUBCQAJ-PSASIEDQSA-N 1 0 333.797 1.606 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)s1 ZINC000440867559 305213708 /nfs/dbraw/zinc/21/37/08/305213708.db2.gz SNPQFQVFRDEHCW-UHFFFAOYSA-N 1 0 331.419 1.421 20 5 EDBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC1(CO)CC1 ZINC000446081795 305261027 /nfs/dbraw/zinc/26/10/27/305261027.db2.gz OHJZUGOQFJNPSQ-UHFFFAOYSA-N 1 0 335.360 1.597 20 5 EDBDRO COCC[C@@]1([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000447390784 305279881 /nfs/dbraw/zinc/27/98/81/305279881.db2.gz CFFBLMCMSWGHBD-MRXNPFEDSA-N 1 0 337.376 1.343 20 5 EDBDRO COCCOCCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447514170 305281076 /nfs/dbraw/zinc/28/10/76/305281076.db2.gz BQLMIEPITPXDOX-UONOGXRCSA-N 1 0 326.397 1.918 20 5 EDBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)Cn3cnc([N+](=O)[O-])n3)cccc21 ZINC000447722011 305284542 /nfs/dbraw/zinc/28/45/42/305284542.db2.gz HWNUKZPPTKMTSK-LBPRGKRZSA-N 1 0 346.347 1.210 20 5 EDBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000448915916 305303920 /nfs/dbraw/zinc/30/39/20/305303920.db2.gz FKIJBCSNIILVDV-JTQLQIEISA-N 1 0 325.340 1.957 20 5 EDBDRO COc1cc(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000448915042 305303967 /nfs/dbraw/zinc/30/39/67/305303967.db2.gz ZHUUTRMVROSSNZ-SNVBAGLBSA-N 1 0 325.340 1.766 20 5 EDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000449099665 305306610 /nfs/dbraw/zinc/30/66/10/305306610.db2.gz OHVWRLRMBAZQRR-TZMCWYRMSA-N 1 0 341.433 1.539 20 5 EDBDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000449173709 305308729 /nfs/dbraw/zinc/30/87/29/305308729.db2.gz GLWBNLHVEWMXQP-DZGCQCFKSA-N 1 0 335.404 1.753 20 5 EDBDRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449269063 305310433 /nfs/dbraw/zinc/31/04/33/305310433.db2.gz LMQYDTMRYNPEKX-LBPRGKRZSA-N 1 0 341.433 1.397 20 5 EDBDRO [NH3+]CC[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(F)F ZINC000449608861 305315442 /nfs/dbraw/zinc/31/54/42/305315442.db2.gz KTQORKQWAQYCLW-LLVKDONJSA-N 1 0 342.346 1.907 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@H](O)C[C@H]3[C@H]3CCCOC3)nc2c1 ZINC000451307092 305337942 /nfs/dbraw/zinc/33/79/42/305337942.db2.gz TZSQMQWLEZSIDU-GHJWDPDVSA-N 1 0 346.387 1.833 20 5 EDBDRO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451404458 305344000 /nfs/dbraw/zinc/34/40/00/305344000.db2.gz GKXLRLKGCYKUTQ-JFGNBEQYSA-N 1 0 336.314 1.815 20 5 EDBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000451511756 305350278 /nfs/dbraw/zinc/35/02/78/305350278.db2.gz QMNKFGVFTGMDNK-UIBBOPPKSA-N 1 0 338.404 1.984 20 5 EDBDRO CO[C@H]1C[C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000451512428 305350412 /nfs/dbraw/zinc/35/04/12/305350412.db2.gz XNNKHAOREMUYAD-GJZGRUSLSA-N 1 0 333.388 1.887 20 5 EDBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000452352327 305391863 /nfs/dbraw/zinc/39/18/63/305391863.db2.gz RTYGXYFNAUHTDU-AWEZNQCLSA-N 1 0 347.371 1.918 20 5 EDBDRO CNc1nc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000455759342 305444909 /nfs/dbraw/zinc/44/49/09/305444909.db2.gz RMWGJNBEWTVYRQ-ZDUSSCGKSA-N 1 0 347.419 1.980 20 5 EDBDRO CO[C@@H]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000493856855 305629858 /nfs/dbraw/zinc/62/98/58/305629858.db2.gz MHXCHKXTYKTXFL-BDSSXFGHSA-N 1 0 337.351 1.712 20 5 EDBDRO C[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000519740093 305773967 /nfs/dbraw/zinc/77/39/67/305773967.db2.gz OLTCWWLZWRQWJA-RHSMWYFYSA-N 1 0 349.431 1.907 20 5 EDBDRO COC(=O)COc1ccc(CN[C@@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000414944500 447366672 /nfs/dbraw/zinc/36/66/72/447366672.db2.gz PYHBJTFEFVFIIU-DGCLKSJQSA-N 1 0 337.376 1.234 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000542045819 306050820 /nfs/dbraw/zinc/05/08/20/306050820.db2.gz DAMMWHZIXMMCRX-LLVKDONJSA-N 1 0 342.421 1.384 20 5 EDBDRO CCc1ccc([C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000548735651 306136344 /nfs/dbraw/zinc/13/63/44/306136344.db2.gz FMVHSIAKAYNQCJ-CQSZACIVSA-N 1 0 331.376 1.913 20 5 EDBDRO COc1cccc([C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000548735783 306136365 /nfs/dbraw/zinc/13/63/65/306136365.db2.gz FFJMQJJABYSMLM-ZDUSSCGKSA-N 1 0 333.348 1.359 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000548961765 306142737 /nfs/dbraw/zinc/14/27/37/306142737.db2.gz BYLSEIDPCSZFOO-WCQYABFASA-N 1 0 329.360 1.711 20 5 EDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000449693491 447387920 /nfs/dbraw/zinc/38/79/20/447387920.db2.gz DSLDACBKZAIQSU-YPMHNXCESA-N 1 0 338.433 1.095 20 5 EDBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000044344309 440838474 /nfs/dbraw/zinc/83/84/74/440838474.db2.gz RYTIJVXHJBPTFS-LBPRGKRZSA-N 1 0 327.406 1.743 20 5 EDBDRO CC[NH+]1CCC(NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000044019112 440816978 /nfs/dbraw/zinc/81/69/78/440816978.db2.gz RMJGPOGDTCXWNO-LBPRGKRZSA-N 1 0 348.403 1.314 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046036541 441072963 /nfs/dbraw/zinc/07/29/63/441072963.db2.gz IYCJKDSZAJMCAF-UONOGXRCSA-N 1 0 339.417 1.808 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000046047175 441073971 /nfs/dbraw/zinc/07/39/71/441073971.db2.gz JEFAQPTZCVFWDR-HNNXBMFYSA-N 1 0 348.403 1.625 20 5 EDBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000070871198 441124465 /nfs/dbraw/zinc/12/44/65/441124465.db2.gz DSMWKQKCTIYXDT-UHFFFAOYSA-N 1 0 346.391 1.493 20 5 EDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000047146546 441158838 /nfs/dbraw/zinc/15/88/38/441158838.db2.gz YGWUFWFVNRWSQS-LLVKDONJSA-N 1 0 331.376 1.933 20 5 EDBDRO CC[NH+](CC)[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1 ZINC000048246182 441277804 /nfs/dbraw/zinc/27/78/04/441277804.db2.gz YSTKDNIAIMYJQM-CQSZACIVSA-N 1 0 346.391 1.386 20 5 EDBDRO Cc1c(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)cccc1[N+](=O)[O-] ZINC000048744519 441329827 /nfs/dbraw/zinc/32/98/27/441329827.db2.gz ZOIJAEQSZYCEKA-UHFFFAOYSA-N 1 0 348.403 1.832 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000108617966 441468827 /nfs/dbraw/zinc/46/88/27/441468827.db2.gz VXCTYPRQCKYTIU-AWEZNQCLSA-N 1 0 346.387 1.442 20 5 EDBDRO CC[N@@H+]1CCC[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000108718294 441472405 /nfs/dbraw/zinc/47/24/05/441472405.db2.gz QASAQLZNLBDWDL-ZDUSSCGKSA-N 1 0 327.406 1.499 20 5 EDBDRO C[N@H+](CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000066924096 441588829 /nfs/dbraw/zinc/58/88/29/441588829.db2.gz GWXZMQGVZNAWKA-UHFFFAOYSA-N 1 0 329.360 1.605 20 5 EDBDRO CN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000036300005 441606701 /nfs/dbraw/zinc/60/67/01/441606701.db2.gz ZKMHBKFFHAYAIQ-UHFFFAOYSA-N 1 0 333.797 1.621 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000113645819 441621541 /nfs/dbraw/zinc/62/15/41/441621541.db2.gz UNDHTPZTYYQSJJ-LBPRGKRZSA-N 1 0 334.376 1.252 20 5 EDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(-n2cncn2)cc1 ZINC000090538611 441633787 /nfs/dbraw/zinc/63/37/87/441633787.db2.gz MZNZYSZXHDCPCI-GFCCVEGCSA-N 1 0 327.348 1.723 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000041966703 441689033 /nfs/dbraw/zinc/68/90/33/441689033.db2.gz QTAXXXYHHYYNEC-UHFFFAOYSA-N 1 0 329.784 1.946 20 5 EDBDRO CN(C(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000139899471 441828589 /nfs/dbraw/zinc/82/85/89/441828589.db2.gz KQCFQMISLQHMMH-YOEHRIQHSA-N 1 0 346.431 1.974 20 5 EDBDRO CCc1nn(C)c(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000092827922 441831376 /nfs/dbraw/zinc/83/13/76/441831376.db2.gz SWOGJRLKGBJDSL-TXEJJXNPSA-N 1 0 325.413 1.802 20 5 EDBDRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000068644485 441835240 /nfs/dbraw/zinc/83/52/40/441835240.db2.gz VPBVDQSAPMCYOB-VIFPVBQESA-N 1 0 342.783 1.643 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000078210454 441907814 /nfs/dbraw/zinc/90/78/14/441907814.db2.gz CMZRRTMGMIEVNJ-RRFJBIMHSA-N 1 0 345.399 1.916 20 5 EDBDRO CC[NH+]1CCC(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069385976 441925588 /nfs/dbraw/zinc/92/55/88/441925588.db2.gz KEEFJETWXIUIQV-UHFFFAOYSA-N 1 0 336.392 1.757 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)C2)c1C ZINC000078572649 441945935 /nfs/dbraw/zinc/94/59/35/441945935.db2.gz BEALKKKXWJKPBX-CYBMUJFWSA-N 1 0 341.433 1.832 20 5 EDBDRO Cc1nn(CCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1[N+](=O)[O-] ZINC000161490735 442004547 /nfs/dbraw/zinc/00/45/47/442004547.db2.gz LOSKDNPOFWVVPI-PBWFPOADSA-N 1 0 335.408 1.540 20 5 EDBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000162458039 442095253 /nfs/dbraw/zinc/09/52/53/442095253.db2.gz CMNWGYLTVSTZPN-INIZCTEOSA-N 1 0 332.404 1.333 20 5 EDBDRO COC(=O)c1cc(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])cc([N+](=O)[O-])c1 ZINC000151713626 442110193 /nfs/dbraw/zinc/11/01/93/442110193.db2.gz GSIUIXJQHOLHGU-GHSKTYPESA-N 1 0 333.344 1.693 20 5 EDBDRO CC[C@H](C)[N@H+](C)CCNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000170709495 442251042 /nfs/dbraw/zinc/25/10/42/442251042.db2.gz OLGRWTVFZQXEPK-NSHDSACASA-N 1 0 344.437 1.645 20 5 EDBDRO CC[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)C ZINC000171057346 442305045 /nfs/dbraw/zinc/30/50/45/442305045.db2.gz ASURCEMXNRTSJD-UHFFFAOYSA-N 1 0 334.420 1.974 20 5 EDBDRO C[N@H+](CC(=O)NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000153495715 442285961 /nfs/dbraw/zinc/28/59/61/442285961.db2.gz XGHILNSBSGSJIA-LBPRGKRZSA-N 1 0 338.433 1.560 20 5 EDBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000171505474 442353415 /nfs/dbraw/zinc/35/34/15/442353415.db2.gz XHQAMDYGLANAEU-GFCCVEGCSA-N 1 0 327.406 1.666 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000172014569 442399291 /nfs/dbraw/zinc/39/92/91/442399291.db2.gz SCZGEDRZMWFYFI-UHFFFAOYSA-N 1 0 327.406 1.618 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000133591241 442425713 /nfs/dbraw/zinc/42/57/13/442425713.db2.gz GCUNWXJZUSOPEO-YPMHNXCESA-N 1 0 346.387 1.066 20 5 EDBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000178874726 442510064 /nfs/dbraw/zinc/51/00/64/442510064.db2.gz VCROEVASRTXTNS-OAHLLOKOSA-N 1 0 331.376 1.731 20 5 EDBDRO CCNS(=O)(=O)[C@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000179454008 442459338 /nfs/dbraw/zinc/45/93/38/442459338.db2.gz HDBWPWNRNFORQC-LBPRGKRZSA-N 1 0 347.824 1.762 20 5 EDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000178998460 442549585 /nfs/dbraw/zinc/54/95/85/442549585.db2.gz UXTCKCWZEHOCAX-GFCCVEGCSA-N 1 0 329.360 1.462 20 5 EDBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000178940089 442531054 /nfs/dbraw/zinc/53/10/54/442531054.db2.gz CWMFQNPVOTWXIZ-SECBINFHSA-N 1 0 333.797 1.478 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000192027684 442573350 /nfs/dbraw/zinc/57/33/50/442573350.db2.gz YWWNALQNTJBBNL-LBPRGKRZSA-N 1 0 343.405 1.399 20 5 EDBDRO [NH3+][C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000158051579 442641485 /nfs/dbraw/zinc/64/14/85/442641485.db2.gz OQPFXXCLTQTTFQ-SNVBAGLBSA-N 1 0 342.193 1.850 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC2(C)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000193372726 442737137 /nfs/dbraw/zinc/73/71/37/442737137.db2.gz QZYKPCGZMSQGBB-UHFFFAOYSA-N 1 0 327.406 1.571 20 5 EDBDRO C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181677241 442709059 /nfs/dbraw/zinc/70/90/59/442709059.db2.gz NIMPOFPBISHRDK-KGLIPLIRSA-N 1 0 349.435 1.951 20 5 EDBDRO CC(C)C(=O)NCC[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182329495 442757773 /nfs/dbraw/zinc/75/77/73/442757773.db2.gz CYXIIYWONPLJOO-CYBMUJFWSA-N 1 0 339.392 1.039 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000193633386 442761792 /nfs/dbraw/zinc/76/17/92/442761792.db2.gz HPGJYTWIVRZBDT-CMPLNLGQSA-N 1 0 330.348 1.046 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H](CO)c1ccccc1 ZINC000182393728 442763508 /nfs/dbraw/zinc/76/35/08/442763508.db2.gz PBSFHXXALNEMOS-LSDHHAIUSA-N 1 0 332.356 1.658 20 5 EDBDRO C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CC(C)(C)O ZINC000188647891 442778355 /nfs/dbraw/zinc/77/83/55/442778355.db2.gz MVWIJLFZIBTPAK-VIIAAUOXSA-N 1 0 347.415 1.912 20 5 EDBDRO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000246938035 442823737 /nfs/dbraw/zinc/82/37/37/442823737.db2.gz ALFWMKAYWDEWCF-MGPQQGTHSA-N 1 0 326.397 1.288 20 5 EDBDRO COCCC[N@H+](CCO)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000188933654 442844805 /nfs/dbraw/zinc/84/48/05/442844805.db2.gz IVXREMKRKIWMMO-UHFFFAOYSA-N 1 0 348.403 1.826 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000183148039 442889425 /nfs/dbraw/zinc/88/94/25/442889425.db2.gz KYDYPXFIWVDBKZ-VXGBXAGGSA-N 1 0 337.376 1.635 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)n1 ZINC000248665113 442914964 /nfs/dbraw/zinc/91/49/64/442914964.db2.gz LSOUENGFFDDGSS-CJNGLKHVSA-N 1 0 343.387 1.986 20 5 EDBDRO C[C@@H](C(=O)NCC[N@@H+]1CCCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000189415439 442946647 /nfs/dbraw/zinc/94/66/47/442946647.db2.gz HLPKRFGNMITZRD-GFCCVEGCSA-N 1 0 339.367 1.676 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000184311221 443011292 /nfs/dbraw/zinc/01/12/92/443011292.db2.gz ZYOBVNUINOGNOC-GFCCVEGCSA-N 1 0 335.408 1.054 20 5 EDBDRO O=[N+]([O-])c1cnc(NCCN2CCN(c3ncccn3)CC2)s1 ZINC000195509742 443025963 /nfs/dbraw/zinc/02/59/63/443025963.db2.gz HFJIWRQLCWAANJ-UHFFFAOYSA-N 1 0 335.393 1.075 20 5 EDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000190086846 443055905 /nfs/dbraw/zinc/05/59/05/443055905.db2.gz UAICYEODGAYCOD-NSHDSACASA-N 1 0 336.392 1.094 20 5 EDBDRO COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266457379 443132983 /nfs/dbraw/zinc/13/29/83/443132983.db2.gz PLYYEGNEFFEUJE-TZMCWYRMSA-N 1 0 334.376 1.820 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000266381750 443111997 /nfs/dbraw/zinc/11/19/97/443111997.db2.gz IHLPNLKTKJYBRV-AWEZNQCLSA-N 1 0 349.387 1.586 20 5 EDBDRO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268825994 443120502 /nfs/dbraw/zinc/12/05/02/443120502.db2.gz UDSMPIZLVBMSJD-ZDUSSCGKSA-N 1 0 334.420 1.798 20 5 EDBDRO Cc1ccccc1[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266563103 443169078 /nfs/dbraw/zinc/16/90/78/443169078.db2.gz YMVFGNSYJUSDRM-GDBMZVCRSA-N 1 0 330.388 1.950 20 5 EDBDRO C[C@H]1CN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000261820309 443170966 /nfs/dbraw/zinc/17/09/66/443170966.db2.gz WODUMPHWYCYRLS-JQWIXIFHSA-N 1 0 342.421 1.019 20 5 EDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269210675 443233871 /nfs/dbraw/zinc/23/38/71/443233871.db2.gz NSKKROAZMSTVLO-ZDUSSCGKSA-N 1 0 336.392 1.204 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(O)(c3ccccc3)CC2)c1 ZINC000185503203 443209933 /nfs/dbraw/zinc/20/99/33/443209933.db2.gz XRWYZUNYXIVCRR-INIZCTEOSA-N 1 0 346.387 1.136 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415872528 319380544 /nfs/dbraw/zinc/38/05/44/319380544.db2.gz RNSVNUQTRGCGSJ-YNEHKIRRSA-N 1 0 346.387 1.346 20 5 EDBDRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185929896 443285638 /nfs/dbraw/zinc/28/56/38/443285638.db2.gz GGPLYSRAZDUEDD-CYBMUJFWSA-N 1 0 345.421 1.230 20 5 EDBDRO CCC[N@H+](CC)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000266930143 443293845 /nfs/dbraw/zinc/29/38/45/443293845.db2.gz SLHJJLAQEKQPLT-UHFFFAOYSA-N 1 0 337.376 1.828 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272484118 443335306 /nfs/dbraw/zinc/33/53/06/443335306.db2.gz HBTCGPCDFAOSDJ-UHFFFAOYSA-N 1 0 331.319 1.381 20 5 EDBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCCO1 ZINC000278601953 443375123 /nfs/dbraw/zinc/37/51/23/443375123.db2.gz QXYZLGAZTZJJTH-GFCCVEGCSA-N 1 0 339.367 1.965 20 5 EDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272611175 443382498 /nfs/dbraw/zinc/38/24/98/443382498.db2.gz ZKOKRICGAUNIDZ-GFCCVEGCSA-N 1 0 341.433 1.946 20 5 EDBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCNC1=O ZINC000282485515 443353601 /nfs/dbraw/zinc/35/36/01/443353601.db2.gz VPXYZWYUYFKEAS-CQSZACIVSA-N 1 0 334.376 1.442 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)[NH2+]C[C@H]1C ZINC000420395597 319615118 /nfs/dbraw/zinc/61/51/18/319615118.db2.gz LLENMOZEOPVGHA-VXGBXAGGSA-N 1 0 336.392 1.614 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000420425954 319617151 /nfs/dbraw/zinc/61/71/51/319617151.db2.gz TYCFZULEPDXUOJ-QMTHXVAHSA-N 1 0 341.433 1.960 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+](CC)CCO)c1 ZINC000282972481 443484481 /nfs/dbraw/zinc/48/44/81/443484481.db2.gz FCYQMOICQJFVHM-UHFFFAOYSA-N 1 0 325.365 1.038 20 5 EDBDRO COC(=O)c1cc(C(=O)NCC2([NH3+])CCCCC2)cc([N+](=O)[O-])c1 ZINC000422700944 319733308 /nfs/dbraw/zinc/73/33/08/319733308.db2.gz HORNTURYOJRTTN-UHFFFAOYSA-N 1 0 335.360 1.773 20 5 EDBDRO O=C1CC[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2(CCC2)N1 ZINC000282925098 443471489 /nfs/dbraw/zinc/47/14/89/443471489.db2.gz YPHMETFKSMUAOT-UKRRQHHQSA-N 1 0 349.387 1.125 20 5 EDBDRO COC(=O)[C@@H](C)CN(C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000264978241 443497619 /nfs/dbraw/zinc/49/76/19/443497619.db2.gz JQLJAXQKOHZYDU-JTQLQIEISA-N 1 0 339.348 1.283 20 5 EDBDRO C[C@@]([NH3+])(C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000423831165 319820037 /nfs/dbraw/zinc/82/00/37/319820037.db2.gz VLBPHTLSKSNCTD-KRWDZBQOSA-N 1 0 343.387 1.829 20 5 EDBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000267769245 443571107 /nfs/dbraw/zinc/57/11/07/443571107.db2.gz UWXVUBDQGRURSG-UHFFFAOYSA-N 1 0 337.405 1.443 20 5 EDBDRO C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272263932 443572479 /nfs/dbraw/zinc/57/24/79/443572479.db2.gz KNBXBURNQHRZOO-GXTWGEPZSA-N 1 0 343.387 1.958 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000286117578 443649018 /nfs/dbraw/zinc/64/90/18/443649018.db2.gz OHPOSOTYWMXSQG-AAEUAGOBSA-N 1 0 329.360 1.508 20 5 EDBDRO COc1cc(OCC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000435245657 320013992 /nfs/dbraw/zinc/01/39/92/320013992.db2.gz NCJQZEMERFKSGG-GFCCVEGCSA-N 1 0 335.360 1.335 20 5 EDBDRO COC[C@](C)(O)CC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449386323 320186933 /nfs/dbraw/zinc/18/69/33/320186933.db2.gz TUVZSHFYAACBQS-BLLLJJGKSA-N 1 0 339.392 1.689 20 5 EDBDRO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000449433185 320190118 /nfs/dbraw/zinc/19/01/18/320190118.db2.gz LCZZPOVSCMZRKA-ZNMIVQPWSA-N 1 0 336.388 1.965 20 5 EDBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@@H](C)C1 ZINC000452121571 320243285 /nfs/dbraw/zinc/24/32/85/320243285.db2.gz KNHKYAQQTMJNED-MISXGVKJSA-N 1 0 334.376 1.498 20 5 EDBDRO O=C(NCC[N@H+]1CC=CCC1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000280257636 443684821 /nfs/dbraw/zinc/68/48/21/443684821.db2.gz OFMJGEMDZAZJJT-MRXNPFEDSA-N 1 0 344.371 1.466 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000286328065 443691403 /nfs/dbraw/zinc/69/14/03/443691403.db2.gz YTTKPSFZIANEHB-TZMCWYRMSA-N 1 0 348.403 1.443 20 5 EDBDRO C[NH+](C)CC1(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCC1 ZINC000281103788 443820008 /nfs/dbraw/zinc/82/00/08/443820008.db2.gz QLDIMHQFWLAGHA-UHFFFAOYSA-N 1 0 348.359 1.103 20 5 EDBDRO CC(C)(C(=O)N[C@H](CO)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000298642420 443826717 /nfs/dbraw/zinc/82/67/17/443826717.db2.gz RJKWFZVHQZITCP-HNNXBMFYSA-N 1 0 349.431 1.835 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)N1CCOCC1 ZINC000284990887 443810881 /nfs/dbraw/zinc/81/08/81/443810881.db2.gz YAAAWBDFVVXIJJ-CZUORRHYSA-N 1 0 333.388 1.522 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000298599887 443811902 /nfs/dbraw/zinc/81/19/02/443811902.db2.gz MIAFRRHWYLQUGA-ZFWWWQNUSA-N 1 0 346.387 1.585 20 5 EDBDRO CO[C@@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1OC ZINC000276963836 443880337 /nfs/dbraw/zinc/88/03/37/443880337.db2.gz XKRYLNXYWSVJSP-BETUJISGSA-N 1 0 343.767 1.532 20 5 EDBDRO CC[N@@H+]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000288627768 443938476 /nfs/dbraw/zinc/93/84/76/443938476.db2.gz YHWSSMXTTSRYEQ-CYBMUJFWSA-N 1 0 348.403 1.267 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000299050210 443938751 /nfs/dbraw/zinc/93/87/51/443938751.db2.gz GUBJHHLMGJEAFU-UONOGXRCSA-N 1 0 325.390 1.500 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000281582078 443950032 /nfs/dbraw/zinc/95/00/32/443950032.db2.gz DJULWFDOIPJUOS-SFHVURJKSA-N 1 0 343.383 1.570 20 5 EDBDRO COCC[C@@H](CO)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000281424274 443907507 /nfs/dbraw/zinc/90/75/07/443907507.db2.gz BXIHTQHYHSVGMM-YPMHNXCESA-N 1 0 325.365 1.299 20 5 EDBDRO COCC[C@@H](CO)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000281424265 443907801 /nfs/dbraw/zinc/90/78/01/443907801.db2.gz BXIHTQHYHSVGMM-AAEUAGOBSA-N 1 0 325.365 1.299 20 5 EDBDRO CCN1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000288528279 443908812 /nfs/dbraw/zinc/90/88/12/443908812.db2.gz RQEDGENXWZJWAS-NSHDSACASA-N 1 0 337.376 1.778 20 5 EDBDRO CN(C)c1ccccc1C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000288543278 443914094 /nfs/dbraw/zinc/91/40/94/443914094.db2.gz AEDCWYPWWVLVAI-UHFFFAOYSA-N 1 0 330.388 1.955 20 5 EDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000293123552 443930604 /nfs/dbraw/zinc/93/06/04/443930604.db2.gz ZIWBICHHPVOPHG-CQSZACIVSA-N 1 0 347.375 1.395 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000281618011 443961115 /nfs/dbraw/zinc/96/11/15/443961115.db2.gz PPTSNDYHYMJDRU-UHFFFAOYSA-N 1 0 339.392 1.367 20 5 EDBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293512562 444040004 /nfs/dbraw/zinc/04/00/04/444040004.db2.gz TVEFVQFNDGPAKV-HZMBPMFUSA-N 1 0 342.355 1.673 20 5 EDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000552103634 320923845 /nfs/dbraw/zinc/92/38/45/320923845.db2.gz KNMPULPBZCNKKN-VXGBXAGGSA-N 1 0 340.405 1.237 20 5 EDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000552103633 320923916 /nfs/dbraw/zinc/92/39/16/320923916.db2.gz KNMPULPBZCNKKN-RYUDHWBXSA-N 1 0 340.405 1.237 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C1 ZINC000285680818 444071484 /nfs/dbraw/zinc/07/14/84/444071484.db2.gz HRXYDBCXIMECSV-UONOGXRCSA-N 1 0 339.779 1.793 20 5 EDBDRO C[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000293642150 444078307 /nfs/dbraw/zinc/07/83/07/444078307.db2.gz AZFRNCQZDLCCLU-LBPRGKRZSA-N 1 0 331.376 1.708 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c(C)cc1[N+](=O)[O-] ZINC000565247479 321179554 /nfs/dbraw/zinc/17/95/54/321179554.db2.gz WYLFBBDNOSYPIH-CHWSQXEVSA-N 1 0 341.433 1.960 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000565660347 321196049 /nfs/dbraw/zinc/19/60/49/321196049.db2.gz XIKMCSDHEVHLBY-DZGCQCFKSA-N 1 0 346.431 1.925 20 5 EDBDRO COc1ccc([C@@H](C)CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000567689240 321252937 /nfs/dbraw/zinc/25/29/37/321252937.db2.gz FYPJMTYMQZOFGH-XJKSGUPXSA-N 1 0 348.403 1.944 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000567869214 321262965 /nfs/dbraw/zinc/26/29/65/321262965.db2.gz QERKYFPIMYPVCC-HNNXBMFYSA-N 1 0 339.417 1.667 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCc3n[nH]cc3C2)c1 ZINC000570081536 321337018 /nfs/dbraw/zinc/33/70/18/321337018.db2.gz DUKJVHHWWRTUCA-JSGCOSHPSA-N 1 0 332.360 1.205 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000299700184 444119832 /nfs/dbraw/zinc/11/98/32/444119832.db2.gz OWEONFIOYNQRKA-UHFFFAOYSA-N 1 0 334.376 1.394 20 5 EDBDRO NC(=O)c1ccc(C[NH+]2CCC(C3OCCO3)CC2)c([N+](=O)[O-])c1 ZINC000299679761 444114323 /nfs/dbraw/zinc/11/43/23/444114323.db2.gz VFUPYCSCVPVNHH-UHFFFAOYSA-N 1 0 335.360 1.279 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000289485647 444156478 /nfs/dbraw/zinc/15/64/78/444156478.db2.gz QZKPSTCBFWTFJQ-UHFFFAOYSA-N 1 0 332.360 1.419 20 5 EDBDRO Cc1nn(C)c(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301573653 444180308 /nfs/dbraw/zinc/18/03/08/444180308.db2.gz PEMQIHMTCGJRJK-TXEJJXNPSA-N 1 0 325.413 1.938 20 5 EDBDRO [NH3+]C1(CO)CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301694814 444185709 /nfs/dbraw/zinc/18/57/09/444185709.db2.gz PFBLKCDBPWDNAH-UHFFFAOYSA-N 1 0 331.170 1.042 20 5 EDBDRO CNC(=O)c1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000301724677 444187288 /nfs/dbraw/zinc/18/72/88/444187288.db2.gz OZISIGWSPZQWFB-AWEZNQCLSA-N 1 0 348.403 1.620 20 5 EDBDRO [NH3+]C1(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000576330045 321556978 /nfs/dbraw/zinc/55/69/78/321556978.db2.gz GPLXNWHXXUCNCI-UHFFFAOYSA-N 1 0 336.392 1.934 20 5 EDBDRO Cc1cccc2[nH]cc(CC[NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)c21 ZINC000576339745 321558236 /nfs/dbraw/zinc/55/82/36/321558236.db2.gz XJLZGZLTNFZKBZ-OAHLLOKOSA-N 1 0 343.387 1.774 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC2([NH+](C)C)CCOCC2)c1 ZINC000302100419 444204330 /nfs/dbraw/zinc/20/43/30/444204330.db2.gz PQLJAVDPPDJKJV-UHFFFAOYSA-N 1 0 337.376 1.904 20 5 EDBDRO Cc1cc(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000303996670 444239397 /nfs/dbraw/zinc/23/93/97/444239397.db2.gz PFTROXWFQZGCNK-OAHLLOKOSA-N 1 0 335.404 1.726 20 5 EDBDRO CC(C)[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@@H](C)O ZINC000304228408 444243528 /nfs/dbraw/zinc/24/35/28/444243528.db2.gz MEJATNSQHVNRGB-GFCCVEGCSA-N 1 0 337.376 1.984 20 5 EDBDRO CC(C)[C@@](C)([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(N)=O ZINC000297657136 444314196 /nfs/dbraw/zinc/31/41/96/444314196.db2.gz NQWLLYODHDTLHS-OAHLLOKOSA-N 1 0 340.355 1.552 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000314481676 444300859 /nfs/dbraw/zinc/30/08/59/444300859.db2.gz LTTKINUZSROZQA-LLVKDONJSA-N 1 0 325.390 1.548 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1CCC(C[NH3+])CC1 ZINC000323736691 444345911 /nfs/dbraw/zinc/34/59/11/444345911.db2.gz QLUOXEDVTIXHEQ-UHFFFAOYSA-N 1 0 341.433 1.947 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCCCN2C2CC2)c1 ZINC000580315646 322036200 /nfs/dbraw/zinc/03/62/00/322036200.db2.gz GQRSWAUYMQNINF-IAGOWNOFSA-N 1 0 349.431 1.941 20 5 EDBDRO CN(C)[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000580397140 322044124 /nfs/dbraw/zinc/04/41/24/322044124.db2.gz WBGKRTQQHLXCRZ-HZPDHXFCSA-N 1 0 333.392 1.045 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000343785165 444589886 /nfs/dbraw/zinc/58/98/86/444589886.db2.gz RGCFVPVLYDRLCX-LBPRGKRZSA-N 1 0 336.392 1.568 20 5 EDBDRO CCOC(=O)CC(C)(C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000343875921 444641087 /nfs/dbraw/zinc/64/10/87/444641087.db2.gz LSGBRAKAYQCQIX-UHFFFAOYSA-N 1 0 325.365 1.420 20 5 EDBDRO COc1cc(C[NH2+][C@H]2CCC(=O)NC2(C)C)c([N+](=O)[O-])cc1F ZINC000338598209 444767088 /nfs/dbraw/zinc/76/70/88/444767088.db2.gz PTEUCVYXLONZLF-ZDUSSCGKSA-N 1 0 325.340 1.889 20 5 EDBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)CCN1CC[NH+](CC)CC1 ZINC000344123052 444793155 /nfs/dbraw/zinc/79/31/55/444793155.db2.gz GJIYUMOZQFAYIM-UHFFFAOYSA-N 1 0 338.456 1.141 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000338788633 444851978 /nfs/dbraw/zinc/85/19/78/444851978.db2.gz GUDJLZPGYLYZSO-FZMZJTMJSA-N 1 0 348.403 1.959 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000341507308 444867890 /nfs/dbraw/zinc/86/78/90/444867890.db2.gz CFBMPHLAYAFLLW-DGCLKSJQSA-N 1 0 338.360 1.661 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2Cn2cc(C3CC3)nn2)c1 ZINC000344313473 444895327 /nfs/dbraw/zinc/89/53/27/444895327.db2.gz PNSOABVIYLYMOY-CYBMUJFWSA-N 1 0 331.380 1.425 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2Cn2ccnn2)c1 ZINC000344351080 444912387 /nfs/dbraw/zinc/91/23/87/444912387.db2.gz VHECKKWODHXABS-CABCVRRESA-N 1 0 347.375 1.091 20 5 EDBDRO O=C(CC[N@@H+]1CCC[C@@H]1Cn1ccnn1)Nc1ccccc1[N+](=O)[O-] ZINC000344357933 444916128 /nfs/dbraw/zinc/91/61/28/444916128.db2.gz VEFBBAJCQHAEON-CYBMUJFWSA-N 1 0 344.375 1.680 20 5 EDBDRO COC(=O)c1cn([C@@H]2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)nn1 ZINC000339089116 445027272 /nfs/dbraw/zinc/02/72/72/445027272.db2.gz WVJWTVIOLNHUJM-LLVKDONJSA-N 1 0 347.331 1.126 20 5 EDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)[N@H+](C)C1 ZINC000344502660 445017663 /nfs/dbraw/zinc/01/76/63/445017663.db2.gz VPUYPXHGKGYORC-KBPBESRZSA-N 1 0 325.340 1.525 20 5 EDBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@@H]1CCC[C@H]1O ZINC000339133706 445050124 /nfs/dbraw/zinc/05/01/24/445050124.db2.gz OEALTXWCTRCLAU-SWLSCSKDSA-N 1 0 349.387 1.986 20 5 EDBDRO COCCn1cc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000337383110 445057232 /nfs/dbraw/zinc/05/72/32/445057232.db2.gz DUXCLNPSOLQKMX-LSDHHAIUSA-N 1 0 348.407 1.908 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000339201516 445085758 /nfs/dbraw/zinc/08/57/58/445085758.db2.gz NVFYNVRHFATBDJ-UHFFFAOYSA-N 1 0 349.435 1.824 20 5 EDBDRO C[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000330663891 445086521 /nfs/dbraw/zinc/08/65/21/445086521.db2.gz FKMGNHFCLITWDT-SNVBAGLBSA-N 1 0 326.784 1.823 20 5 EDBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000343316178 445195804 /nfs/dbraw/zinc/19/58/04/445195804.db2.gz DVISGNKYPKRRQN-LBPRGKRZSA-N 1 0 341.371 1.747 20 5 EDBDRO Cn1nccc1[C@H]1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC(=O)N1C ZINC000343464720 445227615 /nfs/dbraw/zinc/22/76/15/445227615.db2.gz WGOUKMWZDGRFBB-WMLDXEAASA-N 1 0 343.387 1.780 20 5 EDBDRO CS[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000343591543 445254345 /nfs/dbraw/zinc/25/43/45/445254345.db2.gz ZFXGTIQKUNVUAZ-LSDHHAIUSA-N 1 0 325.434 1.951 20 5 EDBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000348519132 445312160 /nfs/dbraw/zinc/31/21/60/445312160.db2.gz ANQZGGJRCITNTI-CMPLNLGQSA-N 1 0 329.303 1.944 20 5 EDBDRO C[C@@]1(O)CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000348379338 445271129 /nfs/dbraw/zinc/27/11/29/445271129.db2.gz UPXLVESEJWNYBA-NVXWUHKLSA-N 1 0 333.388 1.937 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)c1 ZINC000351902347 445364452 /nfs/dbraw/zinc/36/44/52/445364452.db2.gz IOWIHUXADLFYJC-SMDDNHRTSA-N 1 0 341.433 1.782 20 5 EDBDRO [NH3+][C@H]1CCc2ncc(NC(=O)COc3cccc([N+](=O)[O-])c3)cc2C1 ZINC000349024432 445478646 /nfs/dbraw/zinc/47/86/46/445478646.db2.gz DXEWNUIKRVVTGV-LBPRGKRZSA-N 1 0 342.355 1.823 20 5 EDBDRO C[C@@H]1C[C@@H]1CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000348919328 445440551 /nfs/dbraw/zinc/44/05/51/445440551.db2.gz GBBJCYWMHCPKQH-GHMZBOCLSA-N 1 0 327.406 1.419 20 5 EDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2C[C@@H]2C2CC[NH2+]CC2)c1 ZINC000360006264 445524683 /nfs/dbraw/zinc/52/46/83/445524683.db2.gz LJXWZFYRCXLINR-HUUCEWRRSA-N 1 0 339.417 1.402 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000360286708 445677222 /nfs/dbraw/zinc/67/72/22/445677222.db2.gz PDFGZHPVRRQBGT-AWEZNQCLSA-N 1 0 348.403 1.072 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000356507303 445829934 /nfs/dbraw/zinc/82/99/34/445829934.db2.gz QBRQLKOJHZWMBW-UHFFFAOYSA-N 1 0 347.419 1.689 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[N@H+](C)CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000354017449 445856768 /nfs/dbraw/zinc/85/67/68/445856768.db2.gz AUMVUWSWKSZDCB-GFCCVEGCSA-N 1 0 349.387 1.938 20 5 EDBDRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@@H]3[N+](=O)[O-])CC2)cc1 ZINC000361634396 445859330 /nfs/dbraw/zinc/85/93/30/445859330.db2.gz CSHAJPDORISCKK-HOTGVXAUSA-N 1 0 333.388 1.395 20 5 EDBDRO O=[N+]([O-])c1ccc(OCCCN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000369247477 446020102 /nfs/dbraw/zinc/02/01/02/446020102.db2.gz BRFHGPCGHXYJMJ-ZWKOTPCHSA-N 1 0 349.431 1.895 20 5 EDBDRO Cc1nc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)sc1C ZINC000583559993 326095593 /nfs/dbraw/zinc/09/55/93/326095593.db2.gz QLYRAZKGCLULAV-GFCCVEGCSA-N 1 0 325.394 1.058 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000583871506 326157137 /nfs/dbraw/zinc/15/71/37/326157137.db2.gz LTPZNKGFDWBWJN-GXTWGEPZSA-N 1 0 341.433 1.953 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCNS(=O)(=O)NC(C)C ZINC000584030084 326185569 /nfs/dbraw/zinc/18/55/69/326185569.db2.gz HBJHKEXOGNWICB-LBPRGKRZSA-N 1 0 344.437 1.386 20 5 EDBDRO CCc1nn(C)c(NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000373175100 446074507 /nfs/dbraw/zinc/07/45/07/446074507.db2.gz FDPVCJQPDJNMHT-TZMCWYRMSA-N 1 0 337.424 1.804 20 5 EDBDRO COc1ccc(NC(=O)CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000351500767 446105634 /nfs/dbraw/zinc/10/56/34/446105634.db2.gz XJFTWELAEYGRER-DRZSPHRISA-N 1 0 334.376 1.211 20 5 EDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CN(C2CC2)CCO1 ZINC000366265002 446116305 /nfs/dbraw/zinc/11/63/05/446116305.db2.gz MHVJKXGWVGTBBG-MRXNPFEDSA-N 1 0 348.403 1.300 20 5 EDBDRO C[C@@H]1CCOCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000373281391 446141120 /nfs/dbraw/zinc/14/11/20/446141120.db2.gz RDNZRPLYGYBRQU-GFCCVEGCSA-N 1 0 328.390 1.479 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000351567192 446164591 /nfs/dbraw/zinc/16/45/91/446164591.db2.gz HSARCRJJVXDQJP-UHFFFAOYSA-N 1 0 327.406 1.618 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000362075655 446196656 /nfs/dbraw/zinc/19/66/56/446196656.db2.gz JDFCGFHMWDVUHV-RYUDHWBXSA-N 1 0 337.376 1.492 20 5 EDBDRO O=C1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C2CC2)N1 ZINC000370284248 446214316 /nfs/dbraw/zinc/21/43/16/446214316.db2.gz ATUOIGXBMJBQFI-HOCLYGCPSA-N 1 0 347.371 1.608 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365537912 446244858 /nfs/dbraw/zinc/24/48/58/446244858.db2.gz LWWRSQCWXXADBO-SQWLQELKSA-N 1 0 344.415 1.949 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CCC[C@@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000370351158 446242784 /nfs/dbraw/zinc/24/27/84/446242784.db2.gz ZQKBVSHGSXTNEX-AWEZNQCLSA-N 1 0 349.435 1.975 20 5 EDBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000366590914 446272491 /nfs/dbraw/zinc/27/24/91/446272491.db2.gz STFUTYAJYAKAOK-CYBMUJFWSA-N 1 0 337.351 1.717 20 5 EDBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Cn1cc([N+](=O)[O-])nc1C)c1ccco1 ZINC000359542161 446282580 /nfs/dbraw/zinc/28/25/80/446282580.db2.gz LPDPFDIKVIIKBV-YPMHNXCESA-N 1 0 349.391 1.938 20 5 EDBDRO CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000366678422 446306124 /nfs/dbraw/zinc/30/61/24/446306124.db2.gz TUIHGWPEXIDYCW-QDSSRZTBSA-N 1 0 336.388 1.712 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000370545819 446326352 /nfs/dbraw/zinc/32/63/52/446326352.db2.gz IQJQCGDHQWUTBC-IAGOWNOFSA-N 1 0 347.415 1.897 20 5 EDBDRO O=C(NC1CC1)c1ccc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000420253111 446433781 /nfs/dbraw/zinc/43/37/81/446433781.db2.gz CXUWMPJRIHSKSK-QWHCGFSZSA-N 1 0 330.388 1.533 20 5 EDBDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411230431 446433969 /nfs/dbraw/zinc/43/39/69/446433969.db2.gz WEPOGWXRFWDPAQ-NEPJUHHUSA-N 1 0 334.376 1.509 20 5 EDBDRO CN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000417996642 446410581 /nfs/dbraw/zinc/41/05/81/446410581.db2.gz SYBQITUHWZKMQG-UHFFFAOYSA-N 1 0 326.784 1.922 20 5 EDBDRO C[C@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H](C[NH3+])C1 ZINC000420347109 446520578 /nfs/dbraw/zinc/52/05/78/446520578.db2.gz XKEFALGCKDHLMC-GXTWGEPZSA-N 1 0 348.403 1.952 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000375024592 446524298 /nfs/dbraw/zinc/52/42/98/446524298.db2.gz XAKNUXANSGKYOZ-CJNGLKHVSA-N 1 0 332.404 1.949 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420350451 446527716 /nfs/dbraw/zinc/52/77/16/446527716.db2.gz SWHDEXKYHPCLTL-TXEJJXNPSA-N 1 0 334.376 1.368 20 5 EDBDRO CC1(C)C[NH2+]CC[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420355399 446535266 /nfs/dbraw/zinc/53/52/66/446535266.db2.gz DXIPVPIZNWLZQG-HNNXBMFYSA-N 1 0 332.404 1.462 20 5 EDBDRO COCCC[N@@H+]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000371002752 446567635 /nfs/dbraw/zinc/56/76/35/446567635.db2.gz CQMRRLMHOUWGIE-KRWDZBQOSA-N 1 0 337.420 1.672 20 5 EDBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000420411860 446585078 /nfs/dbraw/zinc/58/50/78/446585078.db2.gz COBLTNXFCRVCPP-ZDUSSCGKSA-N 1 0 341.433 1.974 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000420416066 446589077 /nfs/dbraw/zinc/58/90/77/446589077.db2.gz BUTSHGGJXNURJG-OLZOCXBDSA-N 1 0 339.417 1.442 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000375136649 446602093 /nfs/dbraw/zinc/60/20/93/446602093.db2.gz VNPJWWUMQRPYJU-UHFFFAOYSA-N 1 0 334.376 1.593 20 5 EDBDRO O=C(NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1[nH]ncc1[N+](=O)[O-] ZINC000423698239 446646568 /nfs/dbraw/zinc/64/65/68/446646568.db2.gz MQIGZJMYQGYBFN-WCQYABFASA-N 1 0 347.350 1.580 20 5 EDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000418730052 446657844 /nfs/dbraw/zinc/65/78/44/446657844.db2.gz SAYNYAQPJKVSGB-STQMWFEESA-N 1 0 348.403 1.885 20 5 EDBDRO COCC[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411745904 446666649 /nfs/dbraw/zinc/66/66/49/446666649.db2.gz RINJWNYWZDYGKC-HNNXBMFYSA-N 1 0 337.376 1.661 20 5 EDBDRO COc1cc(S(=O)(=O)NCCC[NH2+]C2CC2)ccc1[N+](=O)[O-] ZINC000420448361 446624029 /nfs/dbraw/zinc/62/40/29/446624029.db2.gz LHZMIPUBXIAFBH-UHFFFAOYSA-N 1 0 329.378 1.024 20 5 EDBDRO CC(C)NC(=O)CN1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000376765285 446706660 /nfs/dbraw/zinc/70/66/60/446706660.db2.gz PNYDUFBENYDKMJ-UHFFFAOYSA-N 1 0 335.408 1.214 20 5 EDBDRO Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000423824966 446713933 /nfs/dbraw/zinc/71/39/33/446713933.db2.gz KICVGLUHVAGYIE-MRXNPFEDSA-N 1 0 343.387 1.963 20 5 EDBDRO COC(=O)[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000411906631 446714393 /nfs/dbraw/zinc/71/43/93/446714393.db2.gz OFFDYJCYTKJPPF-ZDUSSCGKSA-N 1 0 337.376 1.010 20 5 EDBDRO CN(C)C(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000411939171 446750085 /nfs/dbraw/zinc/75/00/85/446750085.db2.gz IZKKIJWCANCFTK-LBPRGKRZSA-N 1 0 334.376 1.334 20 5 EDBDRO COc1cc(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c([N+](=O)[O-])cc1F ZINC000411940511 446751103 /nfs/dbraw/zinc/75/11/03/446751103.db2.gz JYBHDIHNEDYHJS-JTQLQIEISA-N 1 0 325.340 1.653 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411955965 446758863 /nfs/dbraw/zinc/75/88/63/446758863.db2.gz QTFIHKKKVOAQDC-CYBMUJFWSA-N 1 0 348.403 1.642 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437851588 446765813 /nfs/dbraw/zinc/76/58/13/446765813.db2.gz LFAGXYLWOAMGGD-ZDUSSCGKSA-N 1 0 335.408 1.855 20 5 EDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000423951128 446795073 /nfs/dbraw/zinc/79/50/73/446795073.db2.gz JEQDTJNURSPDIU-CQSZACIVSA-N 1 0 331.376 1.884 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000412042343 446803333 /nfs/dbraw/zinc/80/33/33/446803333.db2.gz KFFNAPVVPZYKTG-GZBFAFLISA-N 1 0 333.388 1.935 20 5 EDBDRO CN(C(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000412046595 446809242 /nfs/dbraw/zinc/80/92/42/446809242.db2.gz NUYBQEKLDZKNID-ZENOOKHLSA-N 1 0 333.388 1.650 20 5 EDBDRO CS(=O)(=O)CCCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000424295220 446867649 /nfs/dbraw/zinc/86/76/49/446867649.db2.gz MLFLGIWPPNWQIK-QWHCGFSZSA-N 1 0 344.437 1.689 20 5 EDBDRO CC(=O)N[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000420987228 446964438 /nfs/dbraw/zinc/96/44/38/446964438.db2.gz NPJTXJSMLVTKCB-ZDUSSCGKSA-N 1 0 334.376 1.442 20 5 EDBDRO O=[N+]([O-])c1ccc2ccnc(NCCC[NH+]3CCC(O)CC3)c2c1 ZINC000413069998 446991153 /nfs/dbraw/zinc/99/11/53/446991153.db2.gz LJARDZZWULDBOF-UHFFFAOYSA-N 1 0 330.388 2.402 20 5 EDBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000443326311 447034311 /nfs/dbraw/zinc/03/43/11/447034311.db2.gz JYRAAHIYVVOLFZ-RMRKRWHISA-N 1 0 338.404 1.816 20 5 EDBDRO CC(C)C[C@H](Nc1ncc([N+](=O)[O-])cc1F)C(=O)NCC[NH+](C)C ZINC000413211997 447071457 /nfs/dbraw/zinc/07/14/57/447071457.db2.gz QURKRCFPQFXEEN-ZDUSSCGKSA-N 1 0 341.387 1.633 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000444170321 447084459 /nfs/dbraw/zinc/08/44/59/447084459.db2.gz MXFYMBLJVPDYCV-UHFFFAOYSA-N 1 0 345.421 1.612 20 5 EDBDRO Cn1cc(C[NH2+]CC2(CC(N)=O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000421347236 447138630 /nfs/dbraw/zinc/13/86/30/447138630.db2.gz BQZOVGMSTAKNNJ-UHFFFAOYSA-N 1 0 343.387 1.741 20 5 EDBDRO CN1CCC[C@@]2(CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)C1=O ZINC000372558456 447140020 /nfs/dbraw/zinc/14/00/20/447140020.db2.gz TWNMOPHLRNZDGL-KRWDZBQOSA-N 1 0 333.388 1.918 20 5 EDBDRO COc1cc(C[NH2+][C@H]2CCc3nnnn3CC2)c([N+](=O)[O-])cc1OC ZINC000421397689 447151010 /nfs/dbraw/zinc/15/10/10/447151010.db2.gz MMSLMOIVYGJQSA-NSHDSACASA-N 1 0 348.363 1.093 20 5 EDBDRO C[N@H+](CCCCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)C1CC1 ZINC000413349721 447157700 /nfs/dbraw/zinc/15/77/00/447157700.db2.gz TXUXSOZCFFOPFE-UHFFFAOYSA-N 1 0 342.421 1.529 20 5 EDBDRO COc1ccc(C[NH+]2CCC3(CNC(=O)N3C)CC2)cc1[N+](=O)[O-] ZINC000425371733 447130044 /nfs/dbraw/zinc/13/00/44/447130044.db2.gz MBSUWXIWMDMPNR-UHFFFAOYSA-N 1 0 334.376 1.593 20 5 EDBDRO CCC(=O)N1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000425521901 447208907 /nfs/dbraw/zinc/20/89/07/447208907.db2.gz UOWVJNKMFWEIIE-UHFFFAOYSA-N 1 0 334.376 1.744 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000457210649 447543263 /nfs/dbraw/zinc/54/32/63/447543263.db2.gz DOOKZFMWBOHHTE-UHFFFAOYSA-N 1 0 336.392 1.089 20 5 EDBDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000420118209 447613507 /nfs/dbraw/zinc/61/35/07/447613507.db2.gz ICJMSNVKCQPXSM-CQSZACIVSA-N 1 0 348.403 1.113 20 5 EDBDRO CN(c1ncc([N+](=O)[O-])c(N)n1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000450952359 447631770 /nfs/dbraw/zinc/63/17/70/447631770.db2.gz SLPAVTOACJKCHD-UHFFFAOYSA-N 1 0 348.329 1.820 20 5 EDBDRO CCCCCNC(=O)[C@@H](C)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459490874 447685939 /nfs/dbraw/zinc/68/59/39/447685939.db2.gz CAEMXEUYMVAXGT-CQSZACIVSA-N 1 0 349.435 1.807 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NC[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000422753725 447739893 /nfs/dbraw/zinc/73/98/93/447739893.db2.gz GIELHEKBDOMYQQ-LLVKDONJSA-N 1 0 335.360 1.501 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000452092468 447815240 /nfs/dbraw/zinc/81/52/40/447815240.db2.gz DWQICMVYYZEHPG-OAHLLOKOSA-N 1 0 341.433 1.839 20 5 EDBDRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422927218 447774475 /nfs/dbraw/zinc/77/44/75/447774475.db2.gz YKGCEZNBWCFTKD-HOTGVXAUSA-N 1 0 335.404 1.801 20 5 EDBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000487270896 447828740 /nfs/dbraw/zinc/82/87/40/447828740.db2.gz KLWOXFAGKHJAMN-RYUDHWBXSA-N 1 0 341.433 1.897 20 5 EDBDRO COc1ccc(CC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000530767261 447953385 /nfs/dbraw/zinc/95/33/85/447953385.db2.gz LTXZMILINYRVEB-AAEUAGOBSA-N 1 0 333.388 1.887 20 5 EDBDRO COc1ccc(CC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000524312918 447925310 /nfs/dbraw/zinc/92/53/10/447925310.db2.gz QXUKGZQIGZFQCU-KBPBESRZSA-N 1 0 333.388 1.889 20 5 EDBDRO CCN1CCCC[C@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000570201932 447963681 /nfs/dbraw/zinc/96/36/81/447963681.db2.gz NZIHKWJEJIEEEC-HOTGVXAUSA-N 1 0 337.420 1.799 20 5 EDBDRO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@@H+]1C ZINC000525543102 448004156 /nfs/dbraw/zinc/00/41/56/448004156.db2.gz YPBPIBMDPAICJN-RYUDHWBXSA-N 1 0 349.387 1.921 20 5 EDBDRO C[N@@H+]1CC[C@@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000525729345 448017760 /nfs/dbraw/zinc/01/77/60/448017760.db2.gz FIHMDODZAYCHQZ-CYBMUJFWSA-N 1 0 333.388 1.916 20 5 EDBDRO C[C@H]1[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000576728632 448128253 /nfs/dbraw/zinc/12/82/53/448128253.db2.gz PVWAPLWPVLRKSY-FZMZJTMJSA-N 1 0 329.360 1.711 20 5 EDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCC[NH+]1CCSCC1 ZINC000491885889 448144584 /nfs/dbraw/zinc/14/45/84/448144584.db2.gz QDGAXIPJNAXOMU-DUXPYHPUSA-N 1 0 339.392 1.912 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)ccc1[N+](=O)[O-] ZINC000591022839 448236856 /nfs/dbraw/zinc/23/68/56/448236856.db2.gz HKCLLFYRKBVIEO-AWEZNQCLSA-N 1 0 348.403 1.831 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000532216064 448217603 /nfs/dbraw/zinc/21/76/03/448217603.db2.gz RQOZTGZOWPCILF-CQSZACIVSA-N 1 0 334.420 1.718 20 5 EDBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cn1)CCC(F)(F)F ZINC000577339142 448267213 /nfs/dbraw/zinc/26/72/13/448267213.db2.gz HTGSZXFHONXKQF-UHFFFAOYSA-N 1 0 334.298 1.994 20 5 EDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c(Br)c1 ZINC000591439538 448363035 /nfs/dbraw/zinc/36/30/35/448363035.db2.gz WDRPSJZPNNAQJZ-LDYMZIIASA-N 1 0 327.182 1.941 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591448666 448367303 /nfs/dbraw/zinc/36/73/03/448367303.db2.gz LZRGIMJYWGBQMG-TZMCWYRMSA-N 1 0 346.387 1.577 20 5 EDBDRO COc1ccccc1[C@@H]([NH3+])CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000591680806 448448815 /nfs/dbraw/zinc/44/88/15/448448815.db2.gz JHFQIDUMPMUYMC-ZDUSSCGKSA-N 1 0 333.348 1.006 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]([NH3+])c2ccccc2OC)n1 ZINC000591680811 448448901 /nfs/dbraw/zinc/44/89/01/448448901.db2.gz JQSSUQRVRJYGSJ-NSHDSACASA-N 1 0 333.348 1.250 20 5 EDBDRO C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])Cn1cccn1 ZINC000572834671 448474989 /nfs/dbraw/zinc/47/49/89/448474989.db2.gz VPHSMAPUTSTTOJ-ZIAGYGMSSA-N 1 0 334.376 1.457 20 5 EDBDRO O=C(CC[NH2+][C@H]1CC(=O)N(C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000591747733 448480346 /nfs/dbraw/zinc/48/03/46/448480346.db2.gz DSLFTFODPSRWNF-NSHDSACASA-N 1 0 332.360 1.276 20 5 EDBDRO Cc1csc(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000591724782 448472537 /nfs/dbraw/zinc/47/25/37/448472537.db2.gz DODYJERDSURCFS-ZDUSSCGKSA-N 1 0 337.401 1.932 20 5 EDBDRO C[C@@H](C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000517004406 448519513 /nfs/dbraw/zinc/51/95/13/448519513.db2.gz IMIYIWUXLHNFQR-LSDHHAIUSA-N 1 0 348.447 1.841 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000537941067 448574646 /nfs/dbraw/zinc/57/46/46/448574646.db2.gz GYJJIQOYYSHRTB-QWHCGFSZSA-N 1 0 341.433 1.835 20 5 EDBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000573146563 448554331 /nfs/dbraw/zinc/55/43/31/448554331.db2.gz KRDWHZBBVREDHZ-UHFFFAOYSA-N 1 0 342.421 1.390 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3cccc(F)c3)CCC2)c1 ZINC000592145613 448705125 /nfs/dbraw/zinc/70/51/25/448705125.db2.gz UJSIALLBUAAJNO-HNNXBMFYSA-N 1 0 334.351 1.960 20 5 EDBDRO COC(=O)Cn1cc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])nn1 ZINC000579140525 448726182 /nfs/dbraw/zinc/72/61/82/448726182.db2.gz HHIUMEGJDMAGJF-CYBMUJFWSA-N 1 0 331.332 1.136 20 5 EDBDRO COc1c2ccccc2oc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000567700782 448740779 /nfs/dbraw/zinc/74/07/79/448740779.db2.gz RFRZGZZKDVVHRC-LBPRGKRZSA-N 1 0 346.343 1.697 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1 ZINC000585707348 448744712 /nfs/dbraw/zinc/74/47/12/448744712.db2.gz GAJPAOKDFSPYTA-LBPRGKRZSA-N 1 0 347.419 1.563 20 5 EDBDRO CCOc1cc(C(=O)N2CCC(C)([NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000592331153 448794576 /nfs/dbraw/zinc/79/45/76/448794576.db2.gz LGXQASVHYDXWRV-UHFFFAOYSA-N 1 0 337.376 1.956 20 5 EDBDRO CC[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC[C@H]1[NH3+] ZINC000592331885 448795224 /nfs/dbraw/zinc/79/52/24/448795224.db2.gz BOTAXZSHZAJODT-WCQYABFASA-N 1 0 337.376 1.568 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@H]1CC[NH3+] ZINC000592388753 448819413 /nfs/dbraw/zinc/81/94/13/448819413.db2.gz MMYUQCHRULNLPR-NSHDSACASA-N 1 0 343.405 1.495 20 5 EDBDRO Cn1c2cc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000587309738 448837428 /nfs/dbraw/zinc/83/74/28/448837428.db2.gz NNJNKAAKTZQJES-VXGBXAGGSA-N 1 0 345.403 1.824 20 5 EDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000592442338 448839076 /nfs/dbraw/zinc/83/90/76/448839076.db2.gz MQRQSFRNBFZDSD-VXGBXAGGSA-N 1 0 348.403 1.328 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000592475940 448852821 /nfs/dbraw/zinc/85/28/21/448852821.db2.gz WNOIDGHLROCSDP-NOZJJQNGSA-N 1 0 342.783 1.235 20 5 EDBDRO CC1([NH3+])CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000592484416 448855886 /nfs/dbraw/zinc/85/58/86/448855886.db2.gz BJRHHBXLWZZLDJ-UHFFFAOYSA-N 1 0 326.784 2.000 20 5 EDBDRO [NH3+]C[C@H]1CCCn2ncc(C(=O)NCc3ccc([N+](=O)[O-])cc3)c21 ZINC000592484557 448856176 /nfs/dbraw/zinc/85/61/76/448856176.db2.gz WSUXJDUKLWXDNA-GFCCVEGCSA-N 1 0 329.360 1.557 20 5 EDBDRO CC[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH3+] ZINC000592487904 448857919 /nfs/dbraw/zinc/85/79/19/448857919.db2.gz BQMFLSOQXBINRR-WFASDCNBSA-N 1 0 332.404 1.543 20 5 EDBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000592565374 448903416 /nfs/dbraw/zinc/90/34/16/448903416.db2.gz ZTGODOVBJJDPRR-UHFFFAOYSA-N 1 0 343.387 1.229 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c1 ZINC000568984076 448948739 /nfs/dbraw/zinc/94/87/39/448948739.db2.gz OMKLWPAUDLNGHV-YUTCNCBUSA-N 1 0 346.330 1.473 20 5 EDBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548059126 448978085 /nfs/dbraw/zinc/97/80/85/448978085.db2.gz JKCHTEGGYGTZGO-LBPRGKRZSA-N 1 0 335.408 1.814 20 5 EDBDRO C[N@@H+]1C[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000592881104 449033968 /nfs/dbraw/zinc/03/39/68/449033968.db2.gz KLYXJPKPNRHVSG-ZBFHGGJFSA-N 1 0 343.387 1.253 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000522055124 449046728 /nfs/dbraw/zinc/04/67/28/449046728.db2.gz ARXXAJYHLCJRFO-UHFFFAOYSA-N 1 0 332.364 1.649 20 5 EDBDRO C[C@H](CO)C1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000593079919 449125589 /nfs/dbraw/zinc/12/55/89/449125589.db2.gz BBXMQYMDHJUYTR-UKRRQHHQSA-N 1 0 338.404 1.675 20 5 EDBDRO COC[C@](C)(CCO)[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593015798 449103348 /nfs/dbraw/zinc/10/33/48/449103348.db2.gz ZQRZIQQQKIMKPW-HNNXBMFYSA-N 1 0 326.349 1.259 20 5 EDBDRO COC[C@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000593029819 449107910 /nfs/dbraw/zinc/10/79/10/449107910.db2.gz XRICCXLONCLNSY-ZFWWWQNUSA-N 1 0 338.360 1.665 20 5 EDBDRO Cc1nccnc1CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590195573 449115345 /nfs/dbraw/zinc/11/53/45/449115345.db2.gz DCTRFGBQJCWTCO-UHFFFAOYSA-N 1 0 330.344 1.797 20 5 EDBDRO O=C(NCCC1CC[NH2+]CC1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000593707460 449154523 /nfs/dbraw/zinc/15/45/23/449154523.db2.gz IMBMKSNCKLMOEW-UHFFFAOYSA-N 1 0 346.391 1.660 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC1(C[NH3+])CC1 ZINC000593729847 449163681 /nfs/dbraw/zinc/16/36/81/449163681.db2.gz BXEPYRXENVCTCM-UHFFFAOYSA-N 1 0 329.378 1.011 20 5 EDBDRO O=C1[C@H]([NH2+][C@H]2C[C@@H](O)C23CCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595786103 449164744 /nfs/dbraw/zinc/16/47/44/449164744.db2.gz ZVVDCPDMUZSCCH-QLFBSQMISA-N 1 0 331.372 1.593 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000600007493 449146445 /nfs/dbraw/zinc/14/64/45/449146445.db2.gz UWGMHTHGPIBKFW-UHFFFAOYSA-N 1 0 348.403 1.625 20 5 EDBDRO Cc1c(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000590402480 449149592 /nfs/dbraw/zinc/14/95/92/449149592.db2.gz UVVAYQJCOPDOKL-HOTGVXAUSA-N 1 0 333.388 1.838 20 5 EDBDRO CN(CCC[NH+](C)C)CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000597990471 449174692 /nfs/dbraw/zinc/17/46/92/449174692.db2.gz WTOIMXAUWNOGGX-UHFFFAOYSA-N 1 0 326.372 1.347 20 5 EDBDRO C[C@H](CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[NH+](C)C ZINC000597990956 449175006 /nfs/dbraw/zinc/17/50/06/449175006.db2.gz BOIJPJIIRGPTNQ-LLVKDONJSA-N 1 0 332.364 1.246 20 5 EDBDRO COC(=O)c1ccnc(N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000590572141 449197243 /nfs/dbraw/zinc/19/72/43/449197243.db2.gz WSBDKYCPKCASHY-UHFFFAOYSA-N 1 0 334.376 1.841 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000590589074 449204495 /nfs/dbraw/zinc/20/44/95/449204495.db2.gz LKMLSBPPLDUOHI-ZYHUDNBSSA-N 1 0 343.405 1.317 20 5 EDBDRO COCC1([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000590599615 449212935 /nfs/dbraw/zinc/21/29/35/449212935.db2.gz CVQVPYATEVLSKA-ZDUSSCGKSA-N 1 0 340.376 1.120 20 5 EDBDRO CC(C)[N@H+](C)C[C@H](O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000590604829 449218007 /nfs/dbraw/zinc/21/80/07/449218007.db2.gz PSMHHOODQPVRCN-HNNXBMFYSA-N 1 0 336.436 1.418 20 5 EDBDRO CCO[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C[NH3+] ZINC000593758887 449183791 /nfs/dbraw/zinc/18/37/91/449183791.db2.gz PANFKQMHCKNYMP-QMTHXVAHSA-N 1 0 338.364 1.431 20 5 EDBDRO C[C@@H](CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[NH+](C)C ZINC000598001160 449187670 /nfs/dbraw/zinc/18/76/70/449187670.db2.gz XGYFYFSBKPURBR-LBPRGKRZSA-N 1 0 331.376 1.851 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595828989 449192179 /nfs/dbraw/zinc/19/21/79/449192179.db2.gz FXCCFZIOABOODY-QWHCGFSZSA-N 1 0 349.387 1.900 20 5 EDBDRO CN(CC1C[NH+](C)C1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598164796 449269409 /nfs/dbraw/zinc/26/94/09/449269409.db2.gz WMIJUPQYWOUULT-UHFFFAOYSA-N 1 0 329.360 1.414 20 5 EDBDRO C[C@@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@]1(C)CO 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1 0 341.311 1.246 20 5 EDBDRO C[NH+]1CCC([C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)CC1 ZINC000596173910 449396506 /nfs/dbraw/zinc/39/65/06/449396506.db2.gz BVVBUIMWUAPWAQ-CYBMUJFWSA-N 1 0 332.404 1.862 20 5 EDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600529108 449427936 /nfs/dbraw/zinc/42/79/36/449427936.db2.gz WIFFQHBMBVKFST-DGCLKSJQSA-N 1 0 339.417 1.258 20 5 EDBDRO COC(=O)[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000600536934 449429880 /nfs/dbraw/zinc/42/98/80/449429880.db2.gz LYYNVZUHVDVVIX-BZNIZROVSA-N 1 0 335.360 1.051 20 5 EDBDRO Nc1nccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000594285746 449431041 /nfs/dbraw/zinc/43/10/41/449431041.db2.gz BKPWDMCLPFQVMX-GFCCVEGCSA-N 1 0 333.392 1.663 20 5 EDBDRO C[C@H]1C[C@@H](Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000596155397 449388054 /nfs/dbraw/zinc/38/80/54/449388054.db2.gz JSNSUDUSVQCAPS-GXSJLCMTSA-N 1 0 340.405 1.279 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611710718 449390270 /nfs/dbraw/zinc/39/02/70/449390270.db2.gz NLQSEKINNPFYSF-ZDUSSCGKSA-N 1 0 331.376 2.061 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC2(C[NH+](C)C)CCC2)c(C)c1[N+](=O)[O-] ZINC000598611631 449492798 /nfs/dbraw/zinc/49/27/98/449492798.db2.gz VCYGWYKNFDBNRE-UHFFFAOYSA-N 1 0 341.433 1.974 20 5 EDBDRO CC[NH+](CC)C[C@@H](C)Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598589686 449480273 /nfs/dbraw/zinc/48/02/73/449480273.db2.gz UUWBKXFKWFCBJZ-GFCCVEGCSA-N 1 0 338.412 1.364 20 5 EDBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000594389985 449487073 /nfs/dbraw/zinc/48/70/73/449487073.db2.gz QGESMLSAYXCTPP-UHFFFAOYSA-N 1 0 335.408 1.978 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000596250621 449440035 /nfs/dbraw/zinc/44/00/35/449440035.db2.gz IXAAUSLUJMSUSU-UHFFFAOYSA-N 1 0 325.413 1.449 20 5 EDBDRO C[C@H]1CCCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000598663767 449525914 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Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)c(C)c1[N+](=O)[O-] ZINC000598713921 449558869 /nfs/dbraw/zinc/55/88/69/449558869.db2.gz FBMZUWBTDFNIFI-ZDUSSCGKSA-N 1 0 341.433 1.878 20 5 EDBDRO C[C@@H]1[NH2+]CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)[C@H]1C ZINC000602490663 449629276 /nfs/dbraw/zinc/62/92/76/449629276.db2.gz CVFCRUXLLBTZCE-QWRGUYRKSA-N 1 0 347.350 1.742 20 5 EDBDRO COC(=O)c1cc(C)nc(N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000600956115 449614997 /nfs/dbraw/zinc/61/49/97/449614997.db2.gz NGHIEXRDWNPWEH-IYBDPMFKSA-N 1 0 334.376 1.521 20 5 EDBDRO C[NH+](C)C1(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])CCCC1 ZINC000594748581 449664392 /nfs/dbraw/zinc/66/43/92/449664392.db2.gz NBRDUSFAAHIBCQ-UHFFFAOYSA-N 1 0 328.394 1.143 20 5 EDBDRO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)Nc1ccncc1[N+](=O)[O-] ZINC000596816511 449666320 /nfs/dbraw/zinc/66/63/20/449666320.db2.gz IUKTVFGAZCCWJR-CQSZACIVSA-N 1 0 341.371 1.808 20 5 EDBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] 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Cc1cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000601306855 449817303 /nfs/dbraw/zinc/81/73/03/449817303.db2.gz SWNBKRIMIGQFSI-SNVBAGLBSA-N 1 0 347.462 1.975 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000595002967 449838500 /nfs/dbraw/zinc/83/85/00/449838500.db2.gz AFTGSWRSWFWDGE-GHMZBOCLSA-N 1 0 328.390 1.689 20 5 EDBDRO CN(C)C1(CS(=O)(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000601349858 449862521 /nfs/dbraw/zinc/86/25/21/449862521.db2.gz LEBBDDXXWRJXOF-UHFFFAOYSA-N 1 0 325.390 1.381 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000595122247 449883863 /nfs/dbraw/zinc/88/38/63/449883863.db2.gz IKOVRRSMQUTEKY-GHMZBOCLSA-N 1 0 331.369 1.271 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCO[C@H](Cn2ccnn2)C1 ZINC000602907248 449911930 /nfs/dbraw/zinc/91/19/30/449911930.db2.gz LMIWSBQSBFUJEA-ZFWWWQNUSA-N 1 0 331.376 1.957 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595242084 449970937 /nfs/dbraw/zinc/97/09/37/449970937.db2.gz QGKRNKDBFNPSOC-LLVKDONJSA-N 1 0 338.364 1.032 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000609268813 449995402 /nfs/dbraw/zinc/99/54/02/449995402.db2.gz CYQLTZJFJVZJMI-LLVKDONJSA-N 1 0 347.375 1.312 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc([N+](=O)[O-])c1 ZINC000609382578 450021420 /nfs/dbraw/zinc/02/14/20/450021420.db2.gz CELZHVJTZZAXIJ-AWEZNQCLSA-N 1 0 347.371 1.596 20 5 EDBDRO O=C(C[NH2+][C@H]1CCCn2nccc21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000603026523 450020342 /nfs/dbraw/zinc/02/03/42/450020342.db2.gz AEIORWWNBQMXMY-AWEZNQCLSA-N 1 0 341.371 1.805 20 5 EDBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000597442881 450024439 /nfs/dbraw/zinc/02/44/39/450024439.db2.gz ZFIJDAFXCKWJEG-OAHLLOKOSA-N 1 0 346.387 1.510 20 5 EDBDRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595380704 450095166 /nfs/dbraw/zinc/09/51/66/450095166.db2.gz AUXIBGLCAXAVEE-UHFFFAOYSA-N 1 0 329.422 1.994 20 5 EDBDRO O=C(NC[C@H]1COCC[NH2+]1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000599604213 450098019 /nfs/dbraw/zinc/09/80/19/450098019.db2.gz MIFRQRMOLDHDBD-VIFPVBQESA-N 1 0 348.281 1.724 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([NH3+])CCOCC1 ZINC000599604470 450098681 /nfs/dbraw/zinc/09/86/81/450098681.db2.gz PYNQPSHUFQSWBB-UHFFFAOYSA-N 1 0 338.364 1.623 20 5 EDBDRO C[C@]1(CO)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000599623344 450110998 /nfs/dbraw/zinc/11/09/98/450110998.db2.gz MBDKEEHTYCFFIK-CALCHBBNSA-N 1 0 338.404 1.677 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[NH2+][C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000595410641 450121888 /nfs/dbraw/zinc/12/18/88/450121888.db2.gz GDGFLFUPFKXMOD-ZDUSSCGKSA-N 1 0 341.433 1.830 20 5 EDBDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000599683376 450149465 /nfs/dbraw/zinc/14/94/65/450149465.db2.gz SKBCSLIPHQIAQT-RISCZKNCSA-N 1 0 334.332 1.915 20 5 EDBDRO C[NH+](C)C1(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])CCCCC1 ZINC000610261054 450173210 /nfs/dbraw/zinc/17/32/10/450173210.db2.gz UUYHJIQGZYIVHI-UHFFFAOYSA-N 1 0 342.421 1.533 20 5 EDBDRO COC(=O)CC[N@@H+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595419920 450131030 /nfs/dbraw/zinc/13/10/30/450131030.db2.gz APLVDPAQGVZDMR-LBPRGKRZSA-N 1 0 339.367 1.803 20 5 EDBDRO O=[N+]([O-])c1cccc(OCCn2cc(C[C@H]3CCC[NH2+]C3)nn2)c1 ZINC000603201516 450138388 /nfs/dbraw/zinc/13/83/88/450138388.db2.gz QLDSHEJBLJLIMX-CYBMUJFWSA-N 1 0 331.376 1.807 20 5 EDBDRO CC[N@@H+]1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000595536386 450215613 /nfs/dbraw/zinc/21/56/13/450215613.db2.gz REUOCTTYTNVRMC-AWEZNQCLSA-N 1 0 346.431 1.900 20 5 EDBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CNc1ccccc1[N+](=O)[O-])C2 ZINC000597716706 450217459 /nfs/dbraw/zinc/21/74/59/450217459.db2.gz SDCCDKXGZUMONY-QGZVFWFLSA-N 1 0 332.404 1.951 20 5 EDBDRO NC(=O)c1ccc(C[N@H+](CCOCCO)C2CCC2)c([N+](=O)[O-])c1 ZINC000595597854 450255608 /nfs/dbraw/zinc/25/56/08/450255608.db2.gz BMGBPQKUELNFFG-UHFFFAOYSA-N 1 0 337.376 1.057 20 5 EDBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[NH+]2CCC1CC2 ZINC000615883768 450264859 /nfs/dbraw/zinc/26/48/59/450264859.db2.gz FDKXZWJCQFWFJY-UHFFFAOYSA-N 1 0 346.387 1.021 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000618915639 450338973 /nfs/dbraw/zinc/33/89/73/450338973.db2.gz HGLIZQLTJLBHHR-GDBMZVCRSA-N 1 0 343.387 1.993 20 5 EDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1ccn(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000618921258 450341366 /nfs/dbraw/zinc/34/13/66/450341366.db2.gz QZGGVHCUOOWMOV-UHFFFAOYSA-N 1 0 341.371 1.558 20 5 EDBDRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000619873695 450349067 /nfs/dbraw/zinc/34/90/67/450349067.db2.gz PVPIIACRDQIPPM-ZDUSSCGKSA-N 1 0 343.387 1.196 20 5 EDBDRO Cc1cc(OCC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000619535948 450501057 /nfs/dbraw/zinc/50/10/57/450501057.db2.gz DSVABXVXSDUMMU-CQSZACIVSA-N 1 0 333.388 1.883 20 5 EDBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184306160 533906564 /nfs/dbraw/zinc/90/65/64/533906564.db2.gz SXSMPWMJSNYGMG-CQSZACIVSA-N 1 0 334.420 1.280 20 5 EDBDRO CC(C)(C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)n1cc([N+](=O)[O-])cn1 ZINC000347323654 534347854 /nfs/dbraw/zinc/34/78/54/534347854.db2.gz YTVIAQVFBGAPEN-CYBMUJFWSA-N 1 0 335.408 1.660 20 5 EDBDRO CC1(C)NC(=O)N(CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1=O ZINC000130972147 527789017 /nfs/dbraw/zinc/78/90/17/527789017.db2.gz HAULIDFYMJQSPW-UHFFFAOYSA-N 1 0 346.387 1.890 20 5 EDBDRO CCOc1cc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000186880537 528235780 /nfs/dbraw/zinc/23/57/80/528235780.db2.gz REUYPTULIMENLF-JQWIXIFHSA-N 1 0 337.376 1.730 20 5 EDBDRO CC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc(C)cs1 ZINC000184343412 529178464 /nfs/dbraw/zinc/17/84/64/529178464.db2.gz NOVBBBAXFPDMHU-NWDGAFQWSA-N 1 0 325.394 1.658 20 5 EDBDRO CCCC[C@H](C[NH3+])NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000236733725 535034784 /nfs/dbraw/zinc/03/47/84/535034784.db2.gz FSJDVQOONBLACK-LLVKDONJSA-N 1 0 332.364 1.423 20 5 EDBDRO CC1(O)CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000189111105 535196499 /nfs/dbraw/zinc/19/64/99/535196499.db2.gz JQZVQIZXPOYAPX-UHFFFAOYSA-N 1 0 325.340 1.909 20 5 EDBDRO CC[NH+](CC)CC(=O)N1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000093045485 535489800 /nfs/dbraw/zinc/48/98/00/535489800.db2.gz SLBSBYZSSYFIAD-UHFFFAOYSA-N 1 0 348.447 1.889 20 5 EDBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1c(C)nn(C)c1C ZINC000348045401 535804270 /nfs/dbraw/zinc/80/42/70/535804270.db2.gz NNYANWYCXVGRPV-CQSZACIVSA-N 1 0 333.392 1.848 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)n1 ZINC000271351247 535939543 /nfs/dbraw/zinc/93/95/43/535939543.db2.gz FANMXGMGFCWZJO-CYBMUJFWSA-N 1 0 331.376 1.231 20 5 EDBDRO COc1cc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc([N+](=O)[O-])c1OC ZINC000342755498 536891971 /nfs/dbraw/zinc/89/19/71/536891971.db2.gz RJZBFTWABZYRPQ-DRZSPHRISA-N 1 0 349.387 1.811 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+]1C ZINC000741725596 579426276 /nfs/dbraw/zinc/42/62/76/579426276.db2.gz QBFMSFMWPPKHHK-GHMZBOCLSA-N 1 0 325.340 1.712 20 5 EDBDRO C[N@H+](CCCNC(=O)C1CCC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000759998793 580021278 /nfs/dbraw/zinc/02/12/78/580021278.db2.gz JZGVZAYBNURNHO-INIZCTEOSA-N 1 0 335.404 1.866 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729502355 578578135 /nfs/dbraw/zinc/57/81/35/578578135.db2.gz SMNNIQUPEYYOMX-HUUCEWRRSA-N 1 0 348.403 1.599 20 5 EDBDRO C[C@H](O)C[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000729920092 578599324 /nfs/dbraw/zinc/59/93/24/578599324.db2.gz UQBLRBGTSIOYDY-JTQLQIEISA-N 1 0 335.364 1.412 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000731058396 578666716 /nfs/dbraw/zinc/66/67/16/578666716.db2.gz WZFHCLQXWIRBTC-LLVKDONJSA-N 1 0 336.348 1.883 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000735586482 578902355 /nfs/dbraw/zinc/90/23/55/578902355.db2.gz CFFRSNSUJBQGEF-ZDUSSCGKSA-N 1 0 348.403 1.690 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000738142643 579163590 /nfs/dbraw/zinc/16/35/90/579163590.db2.gz GFLWWSXNHPROKR-GFCCVEGCSA-N 1 0 332.360 1.174 20 5 EDBDRO C[C@@H](C(=O)OCCn1cc([N+](=O)[O-])ccc1=O)[NH+]1[C@H](C)CC[C@H]1C ZINC000761405638 580056704 /nfs/dbraw/zinc/05/67/04/580056704.db2.gz RNXQEDHPUYLDJU-UPJWGTAASA-N 1 0 337.376 1.561 20 5 EDBDRO CC(C)[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000749665237 579734006 /nfs/dbraw/zinc/73/40/06/579734006.db2.gz UOYICOHQCFLZHE-IRXDYDNUSA-N 1 0 337.420 1.575 20 5 EDBDRO COc1ccccc1[C@@H](O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749675405 579734393 /nfs/dbraw/zinc/73/43/93/579734393.db2.gz ZAYDCNRKVHAZNK-HOTGVXAUSA-N 1 0 332.356 1.960 20 5 EDBDRO COC[C@](C)(CC(=O)OC)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750108844 579752223 /nfs/dbraw/zinc/75/22/23/579752223.db2.gz WVQCRNKAPCCVRB-HIFRSBDPSA-N 1 0 326.349 1.186 20 5 EDBDRO C/C(=C\C(=O)N[C@@H](C)CN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752065545 579836721 /nfs/dbraw/zinc/83/67/21/579836721.db2.gz KXHFCFRENCEXQB-ZQHYZAEZSA-N 1 0 346.431 1.750 20 5 EDBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000754777747 579911870 /nfs/dbraw/zinc/91/18/70/579911870.db2.gz KFUYZNZIPMGALI-ZDUSSCGKSA-N 1 0 346.391 1.406 20 5 EDBDRO CN1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000766436596 580166918 /nfs/dbraw/zinc/16/69/18/580166918.db2.gz JSNQYTRDVAPTLS-MRXNPFEDSA-N 1 0 332.404 1.774 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@@H](CCO)C1CC1 ZINC000771800690 580294474 /nfs/dbraw/zinc/29/44/74/580294474.db2.gz PIEGJZSXDDNZKX-ZDUSSCGKSA-N 1 0 335.360 1.643 20 5 EDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000780600421 580528231 /nfs/dbraw/zinc/52/82/31/580528231.db2.gz NGYRVJJMEUDDQO-GFCCVEGCSA-N 1 0 333.392 1.524 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000780864861 580535419 /nfs/dbraw/zinc/53/54/19/580535419.db2.gz BTAQYCLWANTPEU-LBPRGKRZSA-N 1 0 327.406 1.666 20 5 EDBDRO CCCC[N@H+](C)CCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781974677 580562257 /nfs/dbraw/zinc/56/22/57/580562257.db2.gz MXPPFVPTWAWPJN-MRXNPFEDSA-N 1 0 348.403 1.936 20 5 EDBDRO C/C(=C\C(=O)NCCCN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785067993 580634970 /nfs/dbraw/zinc/63/49/70/580634970.db2.gz ZZHDSSSZPVATNT-CCEZHUSRSA-N 1 0 346.431 1.752 20 5 EDBDRO C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788711466 580728392 /nfs/dbraw/zinc/72/83/92/580728392.db2.gz MNFKGSRLXCQCMX-WCQYABFASA-N 1 0 337.376 1.750 20 5 EDBDRO C[C@@]1(C(N)=O)CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000794707515 580903876 /nfs/dbraw/zinc/90/38/76/580903876.db2.gz XYMXFOHZMGRXMX-MRXNPFEDSA-N 1 0 329.360 1.613 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@]2(CO)CCOc3ccccc32)cc1 ZINC000799337768 581025824 /nfs/dbraw/zinc/02/58/24/581025824.db2.gz PIOXIOCNRCIZJK-SJLPKXTDSA-N 1 0 344.367 1.888 20 5 EDBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OCCC[NH+]1CCCC1 ZINC000800083860 581042356 /nfs/dbraw/zinc/04/23/56/581042356.db2.gz RJJPJFWNYPQTLC-UHFFFAOYSA-N 1 0 349.387 1.744 20 5 EDBDRO COc1ccc(CNC(=O)NCC[N@@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000892213105 590868190 /nfs/dbraw/zinc/86/81/90/590868190.db2.gz WUGIWJKGZLYDRC-LBPRGKRZSA-N 1 0 336.392 1.887 20 5 EDBDRO Cc1ccc(CNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000892537665 591064881 /nfs/dbraw/zinc/06/48/81/591064881.db2.gz XZVZDFGLTVONPJ-GFCCVEGCSA-N 1 0 342.346 1.947 20 5 EDBDRO COCC(C)(C)[NH+]1CCN(c2ccc3nonc3c2[N+](=O)[O-])CC1 ZINC000894274163 591261169 /nfs/dbraw/zinc/26/11/69/591261169.db2.gz ZQNLULVVORFKLR-UHFFFAOYSA-N 1 0 335.364 1.678 20 5 EDBDRO COc1c(O)ccc(CN2CCC3(CC2)COCCO3)c1[N+](=O)[O-] ZINC000896034762 591326026 /nfs/dbraw/zinc/32/60/26/591326026.db2.gz XBHJCAFYDWRQOC-UHFFFAOYSA-N 1 0 338.360 1.690 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)CC[N@H+](C)CCO ZINC000894592134 591361396 /nfs/dbraw/zinc/36/13/96/591361396.db2.gz WIYXHJITKOJOIZ-UHFFFAOYSA-N 1 0 325.365 1.050 20 5 EDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000896574094 591534159 /nfs/dbraw/zinc/53/41/59/591534159.db2.gz XDZUQVYACQXSOI-IINYFYTJSA-N 1 0 340.811 1.612 20 5 EDBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C12CCC2 ZINC000898834374 591546368 /nfs/dbraw/zinc/54/63/68/591546368.db2.gz HRHMXZRZNPYDFB-KBPBESRZSA-N 1 0 347.371 1.926 20 5 EDBDRO C[C@@H](Nc1c2ccccc2ncc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895245848 591678487 /nfs/dbraw/zinc/67/84/87/591678487.db2.gz IGXJLXPMBMLPQC-WBMJQRKESA-N 1 0 329.404 1.611 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3CCC4(CCOCC4)O3)C2)c1 ZINC000896917788 591680289 /nfs/dbraw/zinc/68/02/89/591680289.db2.gz GITSNGYCVTYPDP-SSDMNJCBSA-N 1 0 336.392 1.813 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1C ZINC000897880722 591703877 /nfs/dbraw/zinc/70/38/77/591703877.db2.gz MUGQDHHJBIIJQF-AWEZNQCLSA-N 1 0 335.404 1.788 20 5 EDBDRO O=C(N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC000895447783 591761336 /nfs/dbraw/zinc/76/13/36/591761336.db2.gz QFFOKCNKRKZDOB-SFHVURJKSA-N 1 0 344.415 1.729 20 5 EDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4[C@@H]3CCC[N@H+]4CCO)c21 ZINC000897221633 591776622 /nfs/dbraw/zinc/77/66/22/591776622.db2.gz NYHXVZUEJMAKSQ-KGLIPLIRSA-N 1 0 343.387 1.573 20 5 EDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898124823 591790371 /nfs/dbraw/zinc/79/03/71/591790371.db2.gz RHWMBNSRHZMYKM-UHFFFAOYSA-N 1 0 333.388 1.562 20 5 EDBDRO CC(C)[NH+]1CCN(CCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000900100207 591902513 /nfs/dbraw/zinc/90/25/13/591902513.db2.gz ZXFHPSIZHZCDKG-UHFFFAOYSA-N 1 0 346.431 1.900 20 5 EDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000900488898 592032305 /nfs/dbraw/zinc/03/23/05/592032305.db2.gz RYVCFTNOLNZJGC-JTQLQIEISA-N 1 0 328.756 1.700 20 5 EDBDRO C[NH+]1CCC(NCc2cn(CCc3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC000900525483 592036852 /nfs/dbraw/zinc/03/68/52/592036852.db2.gz VGULSXMTKNDISW-UHFFFAOYSA-N 1 0 344.419 1.613 20 5 EDBDRO CO[C@]1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCS(=O)(=O)C1 ZINC000903370618 592162339 /nfs/dbraw/zinc/16/23/39/592162339.db2.gz IPHMDAABNXSMDK-RISCZKNCSA-N 1 0 328.390 1.449 20 5 EDBDRO O=[N+]([O-])c1ccc([O-])cc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903507192 592198617 /nfs/dbraw/zinc/19/86/17/592198617.db2.gz QPBNZELCXOZDBP-IYBDPMFKSA-N 1 0 346.431 1.701 20 5 EDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000903588897 592223461 /nfs/dbraw/zinc/22/34/61/592223461.db2.gz PLSLGMBQNKANIK-UHFFFAOYSA-N 1 0 335.813 1.867 20 5 EDBDRO C[N@@H+]1C[C@@H]2CN(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C[C@]2(C)C1 ZINC000904435511 592255860 /nfs/dbraw/zinc/25/58/60/592255860.db2.gz AGURSUKQPFBWAW-DIFFPNOSSA-N 1 0 344.371 1.032 20 5 EDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000901186148 592268894 /nfs/dbraw/zinc/26/88/94/592268894.db2.gz KRLRGHJEDQXEIA-ZDUSSCGKSA-N 1 0 333.747 1.430 20 5 EDBDRO CC1(C)CC[N@H+](CCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000908083788 592292679 /nfs/dbraw/zinc/29/26/79/592292679.db2.gz XAYPAHXBVZAIPK-UHFFFAOYSA-N 1 0 341.433 1.746 20 5 EDBDRO COC[C@H]1C[NH2+]CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000903876723 592356372 /nfs/dbraw/zinc/35/63/72/592356372.db2.gz OCRGNYXGIVZDBJ-CQSZACIVSA-N 1 0 336.392 1.152 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)n1 ZINC000908495671 592509598 /nfs/dbraw/zinc/50/95/98/592509598.db2.gz KGKBORQBEBKOPV-UHFFFAOYSA-N 1 0 335.408 1.713 20 5 EDBDRO COc1ccc(C[C@H](CO)C[NH2+]CC[N+](=O)[O-])cc1Br ZINC000905373845 592518904 /nfs/dbraw/zinc/51/89/04/592518904.db2.gz QXUHFOGLHPRKQT-NSHDSACASA-N 1 0 347.209 1.475 20 5 EDBDRO C[C@@]1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCO1 ZINC000905589974 592584265 /nfs/dbraw/zinc/58/42/65/592584265.db2.gz PVWIMCXRCHQRLC-HNNXBMFYSA-N 1 0 342.417 1.917 20 5 EDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc4c(c3[N+](=O)[O-])OCCCO4)C[C@H]2C1 ZINC000907804760 592788678 /nfs/dbraw/zinc/78/86/78/592788678.db2.gz ICDBCZOTETXUSM-TXEJJXNPSA-N 1 0 347.371 1.390 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC23CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC000907854293 592815479 /nfs/dbraw/zinc/81/54/79/592815479.db2.gz WTLRMOGJKKISQH-UHFFFAOYSA-N 1 0 339.417 1.762 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CCO1 ZINC000911885566 593030784 /nfs/dbraw/zinc/03/07/84/593030784.db2.gz XSTMRZPGSVUMBC-YGRLFVJLSA-N 1 0 325.340 1.241 20 5 EDBDRO CCO[C@@H]1C[NH2+][C@@H](C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000912150185 593066105 /nfs/dbraw/zinc/06/61/05/593066105.db2.gz KFVYBPYXNPKCIR-GXTWGEPZSA-N 1 0 341.795 1.974 20 5 EDBDRO C[N@@H+]1CCC[C@H](CCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000838142060 593133170 /nfs/dbraw/zinc/13/31/70/593133170.db2.gz KUPWUMPIRCEBFL-GFCCVEGCSA-N 1 0 339.367 1.961 20 5 EDBDRO CC[C@@H]1C[N@H+](C)CCN1CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840090490 593164711 /nfs/dbraw/zinc/16/47/11/593164711.db2.gz GIXFOICYLNQBKD-DYVFJYSZSA-N 1 0 348.403 1.516 20 5 EDBDRO O=C1NCCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000839194489 593273810 /nfs/dbraw/zinc/27/38/10/593273810.db2.gz AOXQZDPOEBDERQ-CYBMUJFWSA-N 1 0 332.404 1.679 20 5 EDBDRO O=[N+]([O-])c1cccc(CN2CC[C@H](CO)[C@H](O)C2)c1Br ZINC000839579029 593342858 /nfs/dbraw/zinc/34/28/58/593342858.db2.gz RPWOGVQTZUEFOW-ZYHUDNBSSA-N 1 0 345.193 1.532 20 5 EDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000805427316 593449465 /nfs/dbraw/zinc/44/94/65/593449465.db2.gz VQMUTUIQDBHECO-LBPRGKRZSA-N 1 0 336.392 1.111 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000816953590 593563121 /nfs/dbraw/zinc/56/31/21/593563121.db2.gz JYCOWTZEHXAEKE-UFBFGSQYSA-N 1 0 333.373 1.376 20 5 EDBDRO Cn1cnc(CCNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)c1 ZINC000840326412 593603986 /nfs/dbraw/zinc/60/39/86/593603986.db2.gz DQYLJIJMCAUCPP-UHFFFAOYSA-N 1 0 329.360 1.875 20 5 EDBDRO Cn1cc([C@@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000818292071 593690205 /nfs/dbraw/zinc/69/02/05/593690205.db2.gz YNFNWCSXANESHE-QWHCGFSZSA-N 1 0 333.323 1.034 20 5 EDBDRO CC(C)(C)[S@@](=O)CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819057365 593736259 /nfs/dbraw/zinc/73/62/59/593736259.db2.gz VSRXIBHVOFRAIZ-NPMABZOXSA-N 1 0 344.433 1.471 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCOc1cccnc1 ZINC000819067972 593737153 /nfs/dbraw/zinc/73/71/53/593737153.db2.gz CVDSXEMLKQUSLP-CYBMUJFWSA-N 1 0 333.344 1.398 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)CNC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000819083795 593737908 /nfs/dbraw/zinc/73/79/08/593737908.db2.gz FXUGBPXRWAUCIP-KBXCAEBGSA-N 1 0 349.431 1.719 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCOC3(CCOCC3)C2)cc1 ZINC000819176181 593743013 /nfs/dbraw/zinc/74/30/13/593743013.db2.gz HRDKPECUVMGNLC-HOCLYGCPSA-N 1 0 336.388 1.946 20 5 EDBDRO CC1(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])OCCO1 ZINC000819230732 593745809 /nfs/dbraw/zinc/74/58/09/593745809.db2.gz YCMWSCBYAUHVPM-GFCCVEGCSA-N 1 0 326.349 1.077 20 5 EDBDRO COCC(C)(C)[NH+]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000819894392 593774762 /nfs/dbraw/zinc/77/47/62/593774762.db2.gz SLPSCXFGBHMAGW-UHFFFAOYSA-N 1 0 347.419 1.945 20 5 EDBDRO CC(C)C[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000824261857 593970046 /nfs/dbraw/zinc/97/00/46/593970046.db2.gz SCFJZOHLOIATMQ-LLVKDONJSA-N 1 0 346.395 1.702 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821182670 593984859 /nfs/dbraw/zinc/98/48/59/593984859.db2.gz XEALTNXYWDUKRG-LBPRGKRZSA-N 1 0 331.380 1.695 20 5 EDBDRO C[C@H](CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)[NH+]1CCCCC1 ZINC000824407054 594004091 /nfs/dbraw/zinc/00/40/91/594004091.db2.gz UWNWFXSJIWYYFT-LLVKDONJSA-N 1 0 346.395 1.846 20 5 EDBDRO CC(=O)N1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000821329024 594018939 /nfs/dbraw/zinc/01/89/39/594018939.db2.gz UHFLBCWYIJJIFY-OKILXGFUSA-N 1 0 346.387 1.334 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1[C@H](C)CCC[C@@H]1CC[NH+](C)C ZINC000825586098 594203471 /nfs/dbraw/zinc/20/34/71/594203471.db2.gz FYRQEWVGIRKBNE-TZMCWYRMSA-N 1 0 337.424 1.821 20 5 EDBDRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000830549446 594420067 /nfs/dbraw/zinc/42/00/67/594420067.db2.gz ONXYPFNZKCNOFO-CQSZACIVSA-N 1 0 338.751 1.422 20 5 EDBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826740068 594567591 /nfs/dbraw/zinc/56/75/91/594567591.db2.gz ARVOAHXTOLFYCE-YOEHRIQHSA-N 1 0 347.415 1.819 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000841011731 594839090 /nfs/dbraw/zinc/83/90/90/594839090.db2.gz SWIRYSDJQVHZGQ-PELKAZGASA-N 1 0 328.756 1.828 20 5 EDBDRO [NH3+]CCN(CCO)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161867 594861045 /nfs/dbraw/zinc/86/10/45/594861045.db2.gz OOTMRWAUVCNZTA-UHFFFAOYSA-N 1 0 347.169 1.142 20 5 EDBDRO C[C@H](NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000836283775 594946906 /nfs/dbraw/zinc/94/69/06/594946906.db2.gz NRIFCMFJWIPZDT-VBNZEHGJSA-N 1 0 348.403 1.818 20 5 EDBDRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841943815 594986870 /nfs/dbraw/zinc/98/68/70/594986870.db2.gz WLEZDUSOJHYWGC-CYBMUJFWSA-N 1 0 333.392 1.178 20 5 EDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000837004732 595023026 /nfs/dbraw/zinc/02/30/26/595023026.db2.gz AUUIHQFAPMYBNT-CYBMUJFWSA-N 1 0 345.403 1.887 20 5 EDBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](C[NH3+])C1 ZINC000843346709 595082290 /nfs/dbraw/zinc/08/22/90/595082290.db2.gz PXPYUQBVGTZSMY-UWVGGRQHSA-N 1 0 326.784 1.856 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000834570013 595165906 /nfs/dbraw/zinc/16/59/06/595165906.db2.gz XFIUGBQDROLULJ-HNNXBMFYSA-N 1 0 325.340 1.263 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc([N+](=O)[O-])c1F ZINC000842788843 595199347 /nfs/dbraw/zinc/19/93/47/595199347.db2.gz MITDRLASXIRBHU-VHSXEESVSA-N 1 0 331.369 1.400 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])c(C)c1[N+](=O)[O-] ZINC000842882765 595224418 /nfs/dbraw/zinc/22/44/18/595224418.db2.gz SXAAPJWTHLQQNB-DTWKUNHWSA-N 1 0 346.365 1.134 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000842897882 595229090 /nfs/dbraw/zinc/22/90/90/595229090.db2.gz KWUGVVIQEMZAHB-OAHLLOKOSA-N 1 0 339.417 1.674 20 5 EDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843049310 595274181 /nfs/dbraw/zinc/27/41/81/595274181.db2.gz LDHNWXBUMQITHA-YUMQZZPRSA-N 1 0 328.756 1.429 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CCO1 ZINC000843057075 595276347 /nfs/dbraw/zinc/27/63/47/595276347.db2.gz FZVXXGMBNUNKPK-RNCFNFMXSA-N 1 0 344.209 1.905 20 5 EDBDRO COc1cc(Cc2noc(C[C@@H]3C[NH2+]CCO3)n2)ccc1[N+](=O)[O-] ZINC000843192934 595302579 /nfs/dbraw/zinc/30/25/79/595302579.db2.gz ZQMSKMTZIAMVEG-LLVKDONJSA-N 1 0 334.332 1.108 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000846700714 595303899 /nfs/dbraw/zinc/30/38/99/595303899.db2.gz GJNYUFPSTVXYLW-UHFFFAOYSA-N 1 0 336.348 1.931 20 5 EDBDRO O=C(CC[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000844432265 595342634 /nfs/dbraw/zinc/34/26/34/595342634.db2.gz FCXHUWRWGQNXOE-LYSPQLLHSA-N 1 0 341.364 1.268 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000848529764 595403140 /nfs/dbraw/zinc/40/31/40/595403140.db2.gz ZSNIDNJZDMIONE-SJORKVTESA-N 1 0 335.404 1.471 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848582110 595408758 /nfs/dbraw/zinc/40/87/58/595408758.db2.gz WNNSBKDPLYIZSQ-UHFFFAOYSA-N 1 0 347.318 1.261 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)C(F)(F)Oc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000848591116 595411511 /nfs/dbraw/zinc/41/15/11/595411511.db2.gz SLBUODIXDQGGRZ-ZWNOBZJWSA-N 1 0 341.314 1.729 20 5 EDBDRO [NH2+]=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000849081940 595479491 /nfs/dbraw/zinc/47/94/91/595479491.db2.gz QUPLPYUEFAZTCB-UHFFFAOYSA-N 1 0 340.405 1.379 20 5 EDBDRO C[N@@H+]1CC[C@H](CCOC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000847824325 595488707 /nfs/dbraw/zinc/48/87/07/595488707.db2.gz LYELMMBZCWTAJM-GFCCVEGCSA-N 1 0 332.360 1.830 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000849419066 595524108 /nfs/dbraw/zinc/52/41/08/595524108.db2.gz JXGXXCLFEYUGKB-SNVBAGLBSA-N 1 0 345.396 1.885 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC2([NH3+])CCCC2)cc([N+](=O)[O-])c1F ZINC000850590491 595541476 /nfs/dbraw/zinc/54/14/76/595541476.db2.gz LUQSLQWCJURKDH-UHFFFAOYSA-N 1 0 331.369 1.592 20 5 EDBDRO [NH3+]CC1(NC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000857766060 595600712 /nfs/dbraw/zinc/60/07/12/595600712.db2.gz YIVCRWMSOJXXNB-UHFFFAOYSA-N 1 0 329.303 1.954 20 5 EDBDRO [NH3+]C1(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCCC1 ZINC000850843311 595651551 /nfs/dbraw/zinc/65/15/51/595651551.db2.gz JONLRRRCBLGRCG-UHFFFAOYSA-N 1 0 340.767 1.574 20 5 EDBDRO CCS(=O)(=O)C1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000853116324 595669748 /nfs/dbraw/zinc/66/97/48/595669748.db2.gz IERLQRPXBAXTRB-CYBMUJFWSA-N 1 0 328.390 1.185 20 5 EDBDRO COc1cc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])cc1C ZINC000853266650 595723521 /nfs/dbraw/zinc/72/35/21/595723521.db2.gz MJRNWCYNOKMVSA-CJNGLKHVSA-N 1 0 335.404 1.947 20 5 EDBDRO CC(C)[NH2+]C1(CO)CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000853657095 595848499 /nfs/dbraw/zinc/84/84/99/595848499.db2.gz MXCNQOKKUNDKDN-UHFFFAOYSA-N 1 0 338.364 1.832 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000861033961 595870783 /nfs/dbraw/zinc/87/07/83/595870783.db2.gz AJYUSODWLZNRJS-LBPRGKRZSA-N 1 0 338.360 1.871 20 5 EDBDRO Cc1cc(Cc2noc(-c3cn(CC[NH3+])nn3)n2)ccc1[N+](=O)[O-] ZINC000854142226 595987812 /nfs/dbraw/zinc/98/78/12/595987812.db2.gz HPPFETYLWFCXRN-UHFFFAOYSA-N 1 0 329.320 1.094 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NOC2CC[NH+](C)CC2)c1F ZINC000854357346 596051127 /nfs/dbraw/zinc/05/11/27/596051127.db2.gz AGLVZLWBFVYZOM-UHFFFAOYSA-N 1 0 329.303 1.937 20 5 EDBDRO CC[N@H+](CCNC(=O)OC(C)(C)C)CCn1ccc([N+](=O)[O-])n1 ZINC000859530415 596123755 /nfs/dbraw/zinc/12/37/55/596123755.db2.gz OXIFTVGJHRQIQS-UHFFFAOYSA-N 1 0 327.385 1.638 20 5 EDBDRO CN1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCC1=O ZINC000852578264 596204377 /nfs/dbraw/zinc/20/43/77/596204377.db2.gz ZNSNRKLWLSOJHA-UHFFFAOYSA-N 1 0 338.339 1.227 20 5 EDBDRO O=C(CC[NH2+][C@@H]1C[C@@H](O)C12CCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000852581334 596205034 /nfs/dbraw/zinc/20/50/34/596205034.db2.gz KMIAYLPMLOKBCF-ZIAGYGMSSA-N 1 0 337.351 1.956 20 5 EDBDRO O=C1CCCN1C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852680023 596226142 /nfs/dbraw/zinc/22/61/42/596226142.db2.gz JLLKRIJYWBVNFL-CJNGLKHVSA-N 1 0 333.388 1.573 20 5 EDBDRO CCOCC[NH+]1CCN(Cn2nc(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000121185912 596297541 /nfs/dbraw/zinc/29/75/41/596297541.db2.gz OUKKWSLPANLCJJ-UHFFFAOYSA-N 1 0 347.419 1.865 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(N)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000870983940 596429225 /nfs/dbraw/zinc/42/92/25/596429225.db2.gz ZNYWWGSEGYUDSQ-PVUWLOKVSA-N 1 0 332.404 1.321 20 5 EDBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)cc1 ZINC000865451601 596579187 /nfs/dbraw/zinc/57/91/87/596579187.db2.gz SYOINVFLRSQVJQ-MRXNPFEDSA-N 1 0 331.376 1.698 20 5 EDBDRO O=C(c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1)N1CCCC1 ZINC000865495817 596590848 /nfs/dbraw/zinc/59/08/48/596590848.db2.gz OFTUZRCCVGPIBH-UHFFFAOYSA-N 1 0 343.387 1.817 20 5 EDBDRO CC(C)(O)C[NH+]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865499596 596592230 /nfs/dbraw/zinc/59/22/30/596592230.db2.gz KTTVVJUKGYFIPL-UHFFFAOYSA-N 1 0 327.356 1.119 20 5 EDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000869776609 596627201 /nfs/dbraw/zinc/62/72/01/596627201.db2.gz OYSCGOLRKKATBN-ZDUSSCGKSA-N 1 0 339.367 1.238 20 5 EDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869776850 596628494 /nfs/dbraw/zinc/62/84/94/596628494.db2.gz YHBITWYCKDLXQC-NSHDSACASA-N 1 0 339.367 1.617 20 5 EDBDRO Cc1ccc(CNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000868372391 596809600 /nfs/dbraw/zinc/80/96/00/596809600.db2.gz UDIADZWUALYHIX-AWEZNQCLSA-N 1 0 349.435 1.338 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000866393529 596874584 /nfs/dbraw/zinc/87/45/84/596874584.db2.gz GUJVWQRTGJRVAY-LLVKDONJSA-N 1 0 345.396 1.805 20 5 EDBDRO COc1cc(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000124912587 596983520 /nfs/dbraw/zinc/98/35/20/596983520.db2.gz PGQKTHGPEPCNGM-UWVGGRQHSA-N 1 0 329.378 1.152 20 5 EDBDRO Cc1c(C[NH2+]C[C@H]2CCCN2S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000873094488 597190892 /nfs/dbraw/zinc/19/08/92/597190892.db2.gz JOLMWTMJASINLT-CYBMUJFWSA-N 1 0 327.406 1.417 20 5 EDBDRO O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000876553321 597238075 /nfs/dbraw/zinc/23/80/75/597238075.db2.gz NRXAGRRQZAJORY-IUODEOHRSA-N 1 0 336.367 1.191 20 5 EDBDRO Cn1cc(N2CCC[C@@H]([NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)C2)cn1 ZINC000877068617 597425567 /nfs/dbraw/zinc/42/55/67/597425567.db2.gz AKTSVROAAGCAOC-IYXRBSQSSA-N 1 0 345.407 1.487 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000877357287 597500064 /nfs/dbraw/zinc/50/00/64/597500064.db2.gz WRLCZWRRUXHLGS-SFYZADRCSA-N 1 0 335.257 1.943 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000879548099 597628727 /nfs/dbraw/zinc/62/87/27/597628727.db2.gz CZPAJRRLPWUHRR-CHWSQXEVSA-N 1 0 349.387 1.969 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000878665614 597672065 /nfs/dbraw/zinc/67/20/65/597672065.db2.gz WTSMQGNVTUPSGG-LBPRGKRZSA-N 1 0 349.387 1.922 20 5 EDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000879004894 597783187 /nfs/dbraw/zinc/78/31/87/597783187.db2.gz PZSNEKXDHRIAOW-LLVKDONJSA-N 1 0 337.376 1.826 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@@H](C)C[NH+](C)C ZINC000882196018 597893060 /nfs/dbraw/zinc/89/30/60/597893060.db2.gz ALMSCLHZAHGDQJ-VIFPVBQESA-N 1 0 335.813 1.785 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(C)CCN(C(=O)c2ccc[nH]2)CC1 ZINC000939947630 700063037 /nfs/dbraw/zinc/06/30/37/700063037.db2.gz HTEGURBZXFZONX-UHFFFAOYSA-N 1 0 346.391 1.441 20 5 EDBDRO Cc1c(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000153828515 696616657 /nfs/dbraw/zinc/61/66/57/696616657.db2.gz KKPDAPXYXLRFFA-IUCAKERBSA-N 1 0 336.348 1.942 20 5 EDBDRO Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)sc1C ZINC000996428867 702783180 /nfs/dbraw/zinc/78/31/80/702783180.db2.gz JUJVHWKKFLPAMN-CHWSQXEVSA-N 1 0 338.433 1.506 20 5 EDBDRO O=C(Cc1cc[nH]n1)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001002512633 709060295 /nfs/dbraw/zinc/06/02/95/709060295.db2.gz WSADQYOWJAPGEJ-UHFFFAOYSA-N 1 0 343.387 1.641 20 5 EDBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cc3n(n2)CCC3)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034644067 710320037 /nfs/dbraw/zinc/32/00/37/710320037.db2.gz BKILRYWKAJKZLG-CZPYZCIJSA-N 1 0 347.419 1.012 20 5 EDBDRO CC[C@H](C)[N@H+](C)CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000183874176 529690247 /nfs/dbraw/zinc/69/02/47/529690247.db2.gz NWPJPFZUNRFBDQ-JTQLQIEISA-N 1 0 330.410 1.384 20 5 EDBDRO CNC(=O)CCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000154625398 529851691 /nfs/dbraw/zinc/85/16/91/529851691.db2.gz CFYKLVFWPBBCQC-UHFFFAOYSA-N 1 0 336.392 1.690 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000155119864 530058434 /nfs/dbraw/zinc/05/84/34/530058434.db2.gz GSOJQZKLSSXMNH-KGLIPLIRSA-N 1 0 333.388 1.916 20 5 EDBDRO CC[NH+](CC)CCCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102491387 219207495 /nfs/dbraw/zinc/20/74/95/219207495.db2.gz DGDCPMQPIVRFJL-UHFFFAOYSA-N 1 0 325.413 1.765 20 5 EDBDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000103284714 219283964 /nfs/dbraw/zinc/28/39/64/219283964.db2.gz BZCISSKIJBCXRP-JQWIXIFHSA-N 1 0 345.359 1.731 20 5 EDBDRO COc1cc(OCC(=O)N2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000068854460 215340821 /nfs/dbraw/zinc/34/08/21/215340821.db2.gz XYUWOZHXAGSBEX-UHFFFAOYSA-N 1 0 337.376 1.535 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N(CCOC)CC[NH+](C)C)c1 ZINC000563185046 306322151 /nfs/dbraw/zinc/32/21/51/306322151.db2.gz PWONEOJCBKYSNK-UHFFFAOYSA-N 1 0 339.392 1.644 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CCCSC1 ZINC000183607040 235161094 /nfs/dbraw/zinc/16/10/94/235161094.db2.gz QRUHTZKGMKCGCW-LLVKDONJSA-N 1 0 345.446 1.358 20 5 EDBDRO Cc1sc(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000184407067 235390275 /nfs/dbraw/zinc/39/02/75/235390275.db2.gz IFPRVCFCMRWMSW-NSHDSACASA-N 1 0 340.449 1.721 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)CC(C)(C)C[NH3+])c(C)cc1[N+](=O)[O-] ZINC000563446351 306333790 /nfs/dbraw/zinc/33/37/90/306333790.db2.gz QUEWSWVIEJGIRW-UHFFFAOYSA-N 1 0 329.422 1.817 20 5 EDBDRO C[NH+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413056005 304053598 /nfs/dbraw/zinc/05/35/98/304053598.db2.gz UWTYVEYFIQYZGF-UHFFFAOYSA-N 1 0 343.387 1.353 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+](C(C)C)CC1 ZINC000075634847 138243496 /nfs/dbraw/zinc/24/34/96/138243496.db2.gz QYLBMQGKWPWDRZ-UHFFFAOYSA-N 1 0 336.392 1.568 20 5 EDBDRO CCOC[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000081519061 138266947 /nfs/dbraw/zinc/26/69/47/138266947.db2.gz LHHBJVILPSNURF-ZDUSSCGKSA-N 1 0 333.388 1.842 20 5 EDBDRO COc1ccc(CC(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000563616227 306342108 /nfs/dbraw/zinc/34/21/08/306342108.db2.gz TWPFQVRLQRVARE-OBJOEFQTSA-N 1 0 335.404 1.978 20 5 EDBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000563694166 306345338 /nfs/dbraw/zinc/34/53/38/306345338.db2.gz CAXPULKZPOHXCI-CQSZACIVSA-N 1 0 348.403 1.105 20 5 EDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000186941919 236073205 /nfs/dbraw/zinc/07/32/05/236073205.db2.gz FRVBYQRIQXSDLP-AWEZNQCLSA-N 1 0 349.431 1.831 20 5 EDBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488724000 291158235 /nfs/dbraw/zinc/15/82/35/291158235.db2.gz BMPSQMWDDUYKJS-TYNCELHUSA-N 1 0 332.404 1.860 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC([C@H](C)[NH3+])CC2)c1C ZINC000178927398 138747950 /nfs/dbraw/zinc/74/79/50/138747950.db2.gz XWZAFWKPGOGRCH-LBPRGKRZSA-N 1 0 341.433 1.960 20 5 EDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000564560241 306360587 /nfs/dbraw/zinc/36/05/87/306360587.db2.gz ZICMPZKQGLSIJK-OAHLLOKOSA-N 1 0 329.360 1.646 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+]C[C@@H]1C(F)F ZINC000566242715 306405849 /nfs/dbraw/zinc/40/58/49/306405849.db2.gz WRJGQABZYOEAPD-CYBMUJFWSA-N 1 0 342.346 1.771 20 5 EDBDRO O=C(NCC[NH+]1CCCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000109986246 220007670 /nfs/dbraw/zinc/00/76/70/220007670.db2.gz JVHAEOFKYCEZAR-UHFFFAOYSA-N 1 0 344.371 1.652 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000076672606 216804934 /nfs/dbraw/zinc/80/49/34/216804934.db2.gz LWOQAKUDMZTOJH-GFCCVEGCSA-N 1 0 334.376 1.334 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000195303149 139013080 /nfs/dbraw/zinc/01/30/80/139013080.db2.gz OIMRXFHOTMQXDH-AOOOYVTPSA-N 1 0 345.808 1.397 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000236724735 139029669 /nfs/dbraw/zinc/02/96/69/139029669.db2.gz MEBSIDGJZUCGLS-AWEZNQCLSA-N 1 0 329.422 1.945 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000236723280 139029716 /nfs/dbraw/zinc/02/97/16/139029716.db2.gz IUSIMBWBPUWKSA-AWEZNQCLSA-N 1 0 329.422 1.945 20 5 EDBDRO COc1ccc(CSCC(=O)NC[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000237248488 139045684 /nfs/dbraw/zinc/04/56/84/139045684.db2.gz OPFQGYLXHBAQOR-JTQLQIEISA-N 1 0 327.406 1.548 20 5 EDBDRO C[NH2+]CC1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000237360021 139049103 /nfs/dbraw/zinc/04/91/03/139049103.db2.gz FSMDVPXYWMFDSP-UHFFFAOYSA-N 1 0 347.824 1.868 20 5 EDBDRO C[C@@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000079638418 217245800 /nfs/dbraw/zinc/24/58/00/217245800.db2.gz FTFYHUNYVNBZEQ-AWEZNQCLSA-N 1 0 334.420 1.879 20 5 EDBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111540057 220164505 /nfs/dbraw/zinc/16/45/05/220164505.db2.gz SDLJTKQYZPGWRL-UHFFFAOYSA-N 1 0 346.387 1.754 20 5 EDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000237993860 139065900 /nfs/dbraw/zinc/06/59/00/139065900.db2.gz MKPFOESDEFRRBX-ZDUSSCGKSA-N 1 0 332.404 1.924 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000246862782 139124723 /nfs/dbraw/zinc/12/47/23/139124723.db2.gz DAJSAOIZFAPKHW-SWLSCSKDSA-N 1 0 339.417 1.700 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000415323439 304194664 /nfs/dbraw/zinc/19/46/64/304194664.db2.gz CSBSZPIDFKCBRT-LLVKDONJSA-N 1 0 334.376 1.212 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[NH2+]CC1 ZINC000178359833 284668218 /nfs/dbraw/zinc/66/82/18/284668218.db2.gz PYBOPAFWQWQPLO-UHFFFAOYSA-N 1 0 328.166 1.793 20 5 EDBDRO COc1cc(CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000249462901 139193638 /nfs/dbraw/zinc/19/36/38/139193638.db2.gz ZZRMCIZZVCMHAS-RYUDHWBXSA-N 1 0 341.383 1.629 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000261599173 139209541 /nfs/dbraw/zinc/20/95/41/139209541.db2.gz SBDGKMPKGLZMDX-RDDDGLTNSA-N 1 0 333.797 1.524 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000261462094 139208466 /nfs/dbraw/zinc/20/84/66/139208466.db2.gz UBNOTIIOUABXJM-CQSZACIVSA-N 1 0 347.419 1.150 20 5 EDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000261641233 139213579 /nfs/dbraw/zinc/21/35/79/139213579.db2.gz WZIXMCFHCOMJLR-CPCISQLKSA-N 1 0 328.166 1.919 20 5 EDBDRO C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C[NH3+])C1 ZINC000261715798 139220003 /nfs/dbraw/zinc/22/00/03/139220003.db2.gz GNOFIWWDPOFRIT-WDEREUQCSA-N 1 0 325.340 1.699 20 5 EDBDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000261730396 139221334 /nfs/dbraw/zinc/22/13/34/139221334.db2.gz ROWUROXUQLENQK-QEORTHHSSA-N 1 0 333.388 1.744 20 5 EDBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000261721308 139220362 /nfs/dbraw/zinc/22/03/62/139220362.db2.gz CJFABDQGKZHSER-INIZCTEOSA-N 1 0 329.360 1.591 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000261759929 139223763 /nfs/dbraw/zinc/22/37/63/139223763.db2.gz PVIZCDJMIWCUBU-MNOVXSKESA-N 1 0 343.405 1.270 20 5 EDBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000261779774 139225311 /nfs/dbraw/zinc/22/53/11/139225311.db2.gz RTSJJGTWGYCJSF-GFCCVEGCSA-N 1 0 340.811 1.535 20 5 EDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261863365 139232378 /nfs/dbraw/zinc/23/23/78/139232378.db2.gz RMTJXSFEKXGEKG-OKILXGFUSA-N 1 0 333.388 1.822 20 5 EDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cc(C(N)=O)co1 ZINC000187724729 272952214 /nfs/dbraw/zinc/95/22/14/272952214.db2.gz OMDAQDNEYMQRAA-JTQLQIEISA-N 1 0 346.343 1.794 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000415577446 304230501 /nfs/dbraw/zinc/23/05/01/304230501.db2.gz AIWZVCOYUWXEGM-RWMBFGLXSA-N 1 0 346.387 1.346 20 5 EDBDRO CO[C@@H]1CCN(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000417993939 251318787 /nfs/dbraw/zinc/31/87/87/251318787.db2.gz YIBMBFWVLMLGBX-FRRDWIJNSA-N 1 0 336.392 1.804 20 5 EDBDRO CN(CC(C)(C)C[NH3+])C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000262581635 139288091 /nfs/dbraw/zinc/28/80/91/139288091.db2.gz KBADLOJVJOFUID-UHFFFAOYSA-N 1 0 332.364 1.232 20 5 EDBDRO Cc1c(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000419765926 251538591 /nfs/dbraw/zinc/53/85/91/251538591.db2.gz YAKDJQWBVRRPJQ-CYBMUJFWSA-N 1 0 348.403 1.025 20 5 EDBDRO CN(c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000420139825 251611100 /nfs/dbraw/zinc/61/11/00/251611100.db2.gz OXABANQWGJBMCT-UHFFFAOYSA-N 1 0 348.403 1.255 20 5 EDBDRO COC[C@@]1(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCC[NH2+]1 ZINC000420250149 251657872 /nfs/dbraw/zinc/65/78/72/251657872.db2.gz JTCSUJOPGFFWGE-INIZCTEOSA-N 1 0 334.376 1.660 20 5 EDBDRO NS(=O)(=O)c1cccc(NCCC[C@@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000420267053 251663587 /nfs/dbraw/zinc/66/35/87/251663587.db2.gz GKTYZUSLCNNNEE-JTQLQIEISA-N 1 0 328.394 1.186 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000262799732 139304569 /nfs/dbraw/zinc/30/45/69/139304569.db2.gz VBNMDJNCKIZQBI-WCBMZHEXSA-N 1 0 333.797 1.525 20 5 EDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000152871234 224023978 /nfs/dbraw/zinc/02/39/78/224023978.db2.gz XPZPAUPPXBUMAS-NHYWBVRUSA-N 1 0 341.433 1.504 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000422833584 251992867 /nfs/dbraw/zinc/99/28/67/251992867.db2.gz YZJUHRMCJTVKQZ-QWRGUYRKSA-N 1 0 335.360 1.594 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@](C)(C[NH3+])CC(C)C)cc([N+](=O)[O-])c1 ZINC000422858025 252001293 /nfs/dbraw/zinc/00/12/93/252001293.db2.gz ZHJKYVBEHUPZHB-INIZCTEOSA-N 1 0 337.376 1.875 20 5 EDBDRO C[C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000424028734 252120664 /nfs/dbraw/zinc/12/06/64/252120664.db2.gz YYNNKCQKXIAQTC-TZMCWYRMSA-N 1 0 343.387 1.837 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000415664897 304251844 /nfs/dbraw/zinc/25/18/44/304251844.db2.gz UQNIATRMAMOBBE-MFKMUULPSA-N 1 0 334.376 1.210 20 5 EDBDRO CCCC[N@H+](C)CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000112401322 220319411 /nfs/dbraw/zinc/31/94/11/220319411.db2.gz OTUXLOZNYADLCB-UHFFFAOYSA-N 1 0 336.392 1.173 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000415682420 304255814 /nfs/dbraw/zinc/25/58/14/304255814.db2.gz YEKJGZDKXIMGOS-AWEZNQCLSA-N 1 0 348.403 1.736 20 5 EDBDRO COc1cc(OCC(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000155324328 533090294 /nfs/dbraw/zinc/09/02/94/533090294.db2.gz BCYNHOOUMIDXNS-TXEJJXNPSA-N 1 0 337.376 1.533 20 5 EDBDRO COc1ccc([C@@H](CO)[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000159823270 533127739 /nfs/dbraw/zinc/12/77/39/533127739.db2.gz CQMGUUFLLCSBCQ-MRXNPFEDSA-N 1 0 347.371 1.431 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CCO)C(C)(C)C ZINC000183679099 533138699 /nfs/dbraw/zinc/13/86/99/533138699.db2.gz UNMTUOVSMGVZSS-AWEZNQCLSA-N 1 0 339.392 1.929 20 5 EDBDRO C[C@H](Cn1ccnc1)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000263655128 139350200 /nfs/dbraw/zinc/35/02/00/139350200.db2.gz CFDDCEYKOUVPHU-SECBINFHSA-N 1 0 344.780 1.812 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000449721930 254645395 /nfs/dbraw/zinc/64/53/95/254645395.db2.gz UXCKOZVCTWFHRL-MNOVXSKESA-N 1 0 337.376 1.859 20 5 EDBDRO CCC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000455228927 254834830 /nfs/dbraw/zinc/83/48/30/254834830.db2.gz NZHLMQHXASBOSC-UHFFFAOYSA-N 1 0 335.408 1.883 20 5 EDBDRO C[N@H+](CCO)C1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000492287221 255167875 /nfs/dbraw/zinc/16/78/75/255167875.db2.gz KQJZGFSHUUSDSG-WAYWQWQTSA-N 1 0 333.388 1.523 20 5 EDBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000416288980 304303070 /nfs/dbraw/zinc/30/30/70/304303070.db2.gz DXJUNPHHNUKMII-RYUDHWBXSA-N 1 0 346.387 1.603 20 5 EDBDRO COc1ccc(C[C@](C)([NH3+])CNc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC000269982867 140028663 /nfs/dbraw/zinc/02/86/63/140028663.db2.gz RPAYVAYFRCEXFP-HNNXBMFYSA-N 1 0 332.364 1.348 20 5 EDBDRO CCOC(=O)c1cc(N2CC[NH+](CCCO)CC2)ccc1[N+](=O)[O-] ZINC000270301897 140076250 /nfs/dbraw/zinc/07/62/50/140076250.db2.gz QFQHNOJETTWRDS-UHFFFAOYSA-N 1 0 337.376 1.276 20 5 EDBDRO CC[C@@H](CO)[NH+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000270470272 140106045 /nfs/dbraw/zinc/10/60/45/140106045.db2.gz HHAGTFBZTOXPFP-HNNXBMFYSA-N 1 0 335.404 1.443 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[N@H+](C)CC2(C)C)c([N+](=O)[O-])c1 ZINC000271021830 140222558 /nfs/dbraw/zinc/22/25/58/140222558.db2.gz JIFCSQJJCPJTQM-UHFFFAOYSA-N 1 0 336.392 1.568 20 5 EDBDRO COC(=O)C1CCN(C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000271653506 140327563 /nfs/dbraw/zinc/32/75/63/140327563.db2.gz JMUSSVGIJQGQBY-GFCCVEGCSA-N 1 0 349.387 1.657 20 5 EDBDRO C[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000271684723 140333565 /nfs/dbraw/zinc/33/35/65/140333565.db2.gz DGAAFTQOLWOVSG-STQMWFEESA-N 1 0 341.433 1.917 20 5 EDBDRO C[C@@H]1C[N@H+](C)CCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000332009872 141110132 /nfs/dbraw/zinc/11/01/32/141110132.db2.gz DGKWWKBDCXPVRO-GFCCVEGCSA-N 1 0 334.376 1.529 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000416391614 304314910 /nfs/dbraw/zinc/31/49/10/304314910.db2.gz QUMZYQOPKYMMJX-CYBMUJFWSA-N 1 0 341.433 1.784 20 5 EDBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)c1 ZINC000339759975 142147544 /nfs/dbraw/zinc/14/75/44/142147544.db2.gz KPMLTTQAYNAQTC-IAGOWNOFSA-N 1 0 336.388 1.883 20 5 EDBDRO CS[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000344731800 143004475 /nfs/dbraw/zinc/00/44/75/143004475.db2.gz HIVPAMSPDMNZFS-OLZOCXBDSA-N 1 0 327.381 1.852 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](F)C[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000346414861 143202278 /nfs/dbraw/zinc/20/22/78/143202278.db2.gz PPFVOQARVDFYSL-NWDGAFQWSA-N 1 0 325.340 1.637 20 5 EDBDRO CO[C@@H]1C[C@H](CN(C)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[N@H+](C)C1 ZINC000346787231 143245883 /nfs/dbraw/zinc/24/58/83/143245883.db2.gz GPHYYXZQBKVMPJ-ZIAGYGMSSA-N 1 0 340.355 1.917 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CCC[C@@H](C[NH2+]C)C2)cc([N+](=O)[O-])c1 ZINC000347499899 143329168 /nfs/dbraw/zinc/32/91/68/143329168.db2.gz PVIWTHQTWKSWRX-LBPRGKRZSA-N 1 0 349.387 1.843 20 5 EDBDRO CCNc1ccc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000347776004 143361767 /nfs/dbraw/zinc/36/17/67/143361767.db2.gz QFXFRCIJYQKXOL-JKSUJKDBSA-N 1 0 348.403 1.572 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000348025231 143392680 /nfs/dbraw/zinc/39/26/80/143392680.db2.gz TVUDUHHLLAWOHN-FZMZJTMJSA-N 1 0 348.403 1.118 20 5 EDBDRO C[C@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000352996418 149245529 /nfs/dbraw/zinc/24/55/29/149245529.db2.gz GZNAHKUZIMNNID-BLLLJJGKSA-N 1 0 348.403 1.375 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC(CC[NH3+])CC2)c1[N+](=O)[O-] ZINC000573734234 306631913 /nfs/dbraw/zinc/63/19/13/306631913.db2.gz TWNYYARKEIMAHE-UHFFFAOYSA-N 1 0 341.433 1.961 20 5 EDBDRO CO[C@@H]1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000417147115 304377623 /nfs/dbraw/zinc/37/76/23/304377623.db2.gz ZCNVSODUNLABDL-KCPJHIHWSA-N 1 0 336.392 1.804 20 5 EDBDRO O=[N+]([O-])c1cnccc1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000360993310 152272512 /nfs/dbraw/zinc/27/25/12/152272512.db2.gz ATLOKFMMJRZNIE-KRWDZBQOSA-N 1 0 328.372 1.461 20 5 EDBDRO C[NH+](C)CCCCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000362601086 152755721 /nfs/dbraw/zinc/75/57/21/152755721.db2.gz HZCBWOROWCQIHZ-UHFFFAOYSA-N 1 0 337.376 1.367 20 5 EDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000363890948 153087535 /nfs/dbraw/zinc/08/75/35/153087535.db2.gz SPMLHBSBKBNDGT-LBPRGKRZSA-N 1 0 333.392 1.663 20 5 EDBDRO Cc1ccnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1[N+](=O)[O-] ZINC000363925976 153098274 /nfs/dbraw/zinc/09/82/74/153098274.db2.gz XJVUXTVCJDBLBY-HNNXBMFYSA-N 1 0 333.436 1.903 20 5 EDBDRO Cc1nn(C)c(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000364302699 153200169 /nfs/dbraw/zinc/20/01/69/153200169.db2.gz IAZSEEUQPAOGPQ-QWHCGFSZSA-N 1 0 347.350 1.343 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000417202418 304384412 /nfs/dbraw/zinc/38/44/12/304384412.db2.gz XORTYYNLEZJPNY-WCQYABFASA-N 1 0 336.392 1.872 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000366940700 153962738 /nfs/dbraw/zinc/96/27/38/153962738.db2.gz KLFBBJOWWLLZKM-UHFFFAOYSA-N 1 0 343.380 1.498 20 5 EDBDRO CN1C(=O)[C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3Cl)CCN2C1=O ZINC000369450253 155040502 /nfs/dbraw/zinc/04/05/02/155040502.db2.gz CHISECNYHSAUET-LBPRGKRZSA-N 1 0 338.751 1.326 20 5 EDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574821347 306657927 /nfs/dbraw/zinc/65/79/27/306657927.db2.gz DYRZNBOXLCFAGZ-ZFWWWQNUSA-N 1 0 337.420 1.907 20 5 EDBDRO Cc1ccc(NCCCNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000372431752 156386431 /nfs/dbraw/zinc/38/64/31/156386431.db2.gz OYEURIVOLRMAPY-SUMWQHHRSA-N 1 0 332.404 1.821 20 5 EDBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000373896066 157053028 /nfs/dbraw/zinc/05/30/28/157053028.db2.gz PURRJQBEVUDBCZ-RWMBFGLXSA-N 1 0 332.360 1.252 20 5 EDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000374071185 157129994 /nfs/dbraw/zinc/12/99/94/157129994.db2.gz YCLQEYNJULMRSU-SQWLQELKSA-N 1 0 336.388 1.835 20 5 EDBDRO C[C@@]1(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)NC(=O)NC1=O ZINC000374110021 157147511 /nfs/dbraw/zinc/14/75/11/157147511.db2.gz YNBMYYYQAPDQMA-INIZCTEOSA-N 1 0 332.360 1.405 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000378391593 158162529 /nfs/dbraw/zinc/16/25/29/158162529.db2.gz CNDLYIUWCUEUDX-OFQRWUPVSA-N 1 0 338.408 1.291 20 5 EDBDRO CC[N@H+](C[C@H](C)O)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000352231104 162062723 /nfs/dbraw/zinc/06/27/23/162062723.db2.gz OXSVZWHDVDYFCL-WDEREUQCSA-N 1 0 325.365 1.633 20 5 EDBDRO CC[N@H+](CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])C(C)C ZINC000352374058 162147953 /nfs/dbraw/zinc/14/79/53/162147953.db2.gz VOFDEEHLMCNYIQ-UHFFFAOYSA-N 1 0 330.410 1.384 20 5 EDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000362019557 162306881 /nfs/dbraw/zinc/30/68/81/162306881.db2.gz VLIMTVNETRBEQV-GOEBONIOSA-N 1 0 349.387 1.268 20 5 EDBDRO CC[NH+](CC)Cc1cccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000054032570 287226185 /nfs/dbraw/zinc/22/61/85/287226185.db2.gz UAIDKXZRRFWZMB-UHFFFAOYSA-N 1 0 345.403 1.950 20 5 EDBDRO C[NH+](C)CCN1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000192744733 272985573 /nfs/dbraw/zinc/98/55/73/272985573.db2.gz GUQYIGMKOOEHBI-BQYQJAHWSA-N 1 0 332.404 1.314 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC1CC[NH+](CC2CC2)CC1 ZINC000194242528 273001492 /nfs/dbraw/zinc/00/14/92/273001492.db2.gz YYWGSNGQDYVHTK-UHFFFAOYSA-N 1 0 333.388 1.964 20 5 EDBDRO C[C@H]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@@H]1C[NH3+] ZINC000237661181 273011782 /nfs/dbraw/zinc/01/17/82/273011782.db2.gz KGEFHWAPNQQMES-BLLLJJGKSA-N 1 0 343.387 1.980 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC2([NH3+])CCCCC2)c([N+](=O)[O-])c1 ZINC000237738581 273012493 /nfs/dbraw/zinc/01/24/93/273012493.db2.gz AMYQEDPYKCSQPO-UHFFFAOYSA-N 1 0 327.406 1.843 20 5 EDBDRO C[NH+](C)CCN1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000275002856 268261245 /nfs/dbraw/zinc/26/12/45/268261245.db2.gz VEOBOOAPDFIGFK-UHFFFAOYSA-N 1 0 340.811 1.568 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(CCCO)CC1 ZINC000273156846 273030441 /nfs/dbraw/zinc/03/04/41/273030441.db2.gz MVFRLAQAUWUNJE-HNNXBMFYSA-N 1 0 338.404 1.819 20 5 EDBDRO C[C@@]1(CCCO)CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273163210 273030813 /nfs/dbraw/zinc/03/08/13/273030813.db2.gz NWYPJBBDMZVBHL-PBHICJAKSA-N 1 0 338.404 1.962 20 5 EDBDRO C[C@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000280101935 268909959 /nfs/dbraw/zinc/90/99/59/268909959.db2.gz AIMQQOVAIMJPNW-NWDGAFQWSA-N 1 0 343.387 1.803 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000273543118 273043024 /nfs/dbraw/zinc/04/30/24/273043024.db2.gz UAUALIOQOVMVQV-QSOAKEGCSA-N 1 0 332.404 1.360 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000043284951 272910477 /nfs/dbraw/zinc/91/04/77/272910477.db2.gz DQYPBOBUXCNURU-GFCCVEGCSA-N 1 0 349.416 1.806 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H]2CCCN2C)c1 ZINC000277000246 273175452 /nfs/dbraw/zinc/17/54/52/273175452.db2.gz WWDZWZIULRNPPA-JTQLQIEISA-N 1 0 347.824 1.929 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000283942391 274020036 /nfs/dbraw/zinc/02/00/36/274020036.db2.gz YCABLFYNYGXDCM-NEPJUHHUSA-N 1 0 334.376 1.758 20 5 EDBDRO CS[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000284201483 274114608 /nfs/dbraw/zinc/11/46/08/274114608.db2.gz SNBFDPOGTXSHNO-ZIAGYGMSSA-N 1 0 340.405 1.980 20 5 EDBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000284333850 274164924 /nfs/dbraw/zinc/16/49/24/274164924.db2.gz MMARKACOMDKPAT-HNNXBMFYSA-N 1 0 347.375 1.219 20 5 EDBDRO NC(=O)[C@H]1CCO[C@@H]1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000284661551 274283595 /nfs/dbraw/zinc/28/35/95/274283595.db2.gz XVNQOMGEVCRQSY-JKSUJKDBSA-N 1 0 333.388 1.697 20 5 EDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COC[C@H]1n1ccnn1 ZINC000284910204 274383318 /nfs/dbraw/zinc/38/33/18/274383318.db2.gz UXSSAHYTPRPZSC-IVMMDQJWSA-N 1 0 331.376 1.737 20 5 EDBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373058912 275011181 /nfs/dbraw/zinc/01/11/81/275011181.db2.gz SRDZJJBROXQWCF-BMIGLBTASA-N 1 0 342.355 1.673 20 5 EDBDRO O=C1CC[C@@H]([NH+]2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)CCN1 ZINC000450893579 275017652 /nfs/dbraw/zinc/01/76/52/275017652.db2.gz RYVDJDPOXQMGCG-GFCCVEGCSA-N 1 0 336.367 1.525 20 5 EDBDRO O=[N+]([O-])c1cc(Br)ccc1N1CCC([NH2+]CCO)CC1 ZINC000270558298 275032941 /nfs/dbraw/zinc/03/29/41/275032941.db2.gz KAGWJNGWWQEKFG-UHFFFAOYSA-N 1 0 344.209 1.908 20 5 EDBDRO CC[NH+]1CCN([C@H]2CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000107370362 276201382 /nfs/dbraw/zinc/20/13/82/276201382.db2.gz GIPOMCLHVWZTFM-AWEZNQCLSA-N 1 0 336.411 1.946 20 5 EDBDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000103162472 276838113 /nfs/dbraw/zinc/83/81/13/276838113.db2.gz DPSXKUPUCCYUGM-UHFFFAOYSA-N 1 0 347.824 1.965 20 5 EDBDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000342102028 277119846 /nfs/dbraw/zinc/11/98/46/277119846.db2.gz NLGMTHCRTLNPIO-UKRRQHHQSA-N 1 0 346.387 1.801 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000366936752 277280333 /nfs/dbraw/zinc/28/03/33/277280333.db2.gz XXXNWRXEVFGETP-UWVGGRQHSA-N 1 0 329.303 1.271 20 5 EDBDRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000496002797 277333797 /nfs/dbraw/zinc/33/37/97/277333797.db2.gz CJHZCFNUPAGTFE-SNVBAGLBSA-N 1 0 325.369 1.285 20 5 EDBDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)C1 ZINC000495544470 277334404 /nfs/dbraw/zinc/33/44/04/277334404.db2.gz VYNVRPNVRMNQLI-NWDGAFQWSA-N 1 0 325.369 1.248 20 5 EDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420195830 277501611 /nfs/dbraw/zinc/50/16/11/277501611.db2.gz KXAWNQOOPXAVQC-CMPLNLGQSA-N 1 0 327.406 1.928 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000193410259 278565735 /nfs/dbraw/zinc/56/57/35/278565735.db2.gz VVLXEBNJHSSKGP-SCZZXKLOSA-N 1 0 333.797 1.525 20 5 EDBDRO C[C@H](NC(=O)NCCNc1cc[nH+]cc1)c1ccccc1[N+](=O)[O-] ZINC000341909466 279437869 /nfs/dbraw/zinc/43/78/69/279437869.db2.gz UOLDZWOOVVQOKL-LBPRGKRZSA-N 1 0 329.360 1.884 20 5 EDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000186741956 288145926 /nfs/dbraw/zinc/14/59/26/288145926.db2.gz RIYJFYWASHKJRS-GFCCVEGCSA-N 1 0 336.392 1.904 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000249438954 280395270 /nfs/dbraw/zinc/39/52/70/280395270.db2.gz FJJYLQHKHQKTJK-STQMWFEESA-N 1 0 341.433 1.960 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000287611544 288276988 /nfs/dbraw/zinc/27/69/88/288276988.db2.gz YVYBTNQQNLXKHR-NSHDSACASA-N 1 0 346.391 1.291 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262266696 281259141 /nfs/dbraw/zinc/25/91/41/281259141.db2.gz RYKCSBJSDKECID-LSDHHAIUSA-N 1 0 346.431 1.988 20 5 EDBDRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000288756572 288559725 /nfs/dbraw/zinc/55/97/25/288559725.db2.gz ROEUXYBTNMDSQR-UHFFFAOYSA-N 1 0 348.359 1.843 20 5 EDBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000289833822 288787914 /nfs/dbraw/zinc/78/79/14/288787914.db2.gz BKMYIHBJPUPJLR-UONOGXRCSA-N 1 0 341.371 1.462 20 5 EDBDRO Cc1c(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000290233571 288862620 /nfs/dbraw/zinc/86/26/20/288862620.db2.gz UUQYWZWBQBAAHF-GHMZBOCLSA-N 1 0 334.332 1.493 20 5 EDBDRO COCCCN(C(=O)c1ccc([N+](=O)[O-])o1)C1CC[NH+](C)CC1 ZINC000291262678 289027276 /nfs/dbraw/zinc/02/72/76/289027276.db2.gz QZGUWHVDYDOGGC-UHFFFAOYSA-N 1 0 325.365 1.761 20 5 EDBDRO O=C(CC[C@@H]1CCC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000291938529 289220570 /nfs/dbraw/zinc/22/05/70/289220570.db2.gz UDSPQBABSZLSQY-AWEZNQCLSA-N 1 0 332.404 1.776 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000292631155 289399774 /nfs/dbraw/zinc/39/97/74/289399774.db2.gz YYKHZWVULXEOGG-ABAIWWIYSA-N 1 0 347.371 1.596 20 5 EDBDRO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000262010581 289987216 /nfs/dbraw/zinc/98/72/16/289987216.db2.gz WIIOHSMYVZQWAF-UWVGGRQHSA-N 1 0 347.824 1.915 20 5 EDBDRO CO[C@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000262115932 294547518 /nfs/dbraw/zinc/54/75/18/294547518.db2.gz KEJUNAKZLYQYQY-QWRGUYRKSA-N 1 0 327.768 1.827 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418597974 304516619 /nfs/dbraw/zinc/51/66/19/304516619.db2.gz QCUPJLMBDPQALQ-BBRMVZONSA-N 1 0 347.419 1.424 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000124347908 298997404 /nfs/dbraw/zinc/99/74/04/298997404.db2.gz NCAAROWUCDKYNS-UWVGGRQHSA-N 1 0 331.369 1.482 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000340877821 301685815 /nfs/dbraw/zinc/68/58/15/301685815.db2.gz CVRIMRCYBBFKRT-WCQYABFASA-N 1 0 327.406 1.474 20 5 EDBDRO C[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420477388 304763459 /nfs/dbraw/zinc/76/34/59/304763459.db2.gz JMFNWYDWTISZOB-VHSXEESVSA-N 1 0 347.824 1.854 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000262444828 302045558 /nfs/dbraw/zinc/04/55/58/302045558.db2.gz HFBVVYUXZGKWJJ-JQWIXIFHSA-N 1 0 327.406 1.509 20 5 EDBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293512579 302977581 /nfs/dbraw/zinc/97/75/81/302977581.db2.gz TVEFVQFNDGPAKV-QMTHXVAHSA-N 1 0 342.355 1.673 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CC)CNS(C)(=O)=O ZINC000295062885 303169099 /nfs/dbraw/zinc/16/90/99/303169099.db2.gz OOGWIYQPFWOOGK-GFCCVEGCSA-N 1 0 345.421 1.411 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000295429738 303217893 /nfs/dbraw/zinc/21/78/93/303217893.db2.gz URVZFYSTYAIKBX-LBPRGKRZSA-N 1 0 335.408 1.433 20 5 EDBDRO Cc1cc(Cl)c(C(=O)NC[C@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000295442167 303219813 /nfs/dbraw/zinc/21/98/13/303219813.db2.gz NEIPKBYKQXIAPF-AWEZNQCLSA-N 1 0 329.784 1.599 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296530236 303322657 /nfs/dbraw/zinc/32/26/57/303322657.db2.gz PPHWDZVENPKTGJ-ZDUSSCGKSA-N 1 0 338.408 1.923 20 5 EDBDRO C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000296738925 303334623 /nfs/dbraw/zinc/33/46/23/303334623.db2.gz OSXHVYPMNGDLLW-ZDUSSCGKSA-N 1 0 332.404 1.949 20 5 EDBDRO NC(=O)c1ccc(N2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000362740848 303344290 /nfs/dbraw/zinc/34/42/90/303344290.db2.gz HZIFWVOZCAIJHC-UONOGXRCSA-N 1 0 348.403 1.119 20 5 EDBDRO [NH3+][C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1c1ccc(F)cc1 ZINC000297200122 303371644 /nfs/dbraw/zinc/37/16/44/303371644.db2.gz MQOCJHOOTCDALF-GJZGRUSLSA-N 1 0 347.350 1.274 20 5 EDBDRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298019360 303488057 /nfs/dbraw/zinc/48/80/57/303488057.db2.gz DCDGFRRHKSEGOE-UHFFFAOYSA-N 1 0 342.783 1.645 20 5 EDBDRO CN(CC1([NH+](C)C)CCC1)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000302462344 303723529 /nfs/dbraw/zinc/72/35/29/303723529.db2.gz AJUPRDPEIRMMCJ-UHFFFAOYSA-N 1 0 342.421 1.163 20 5 EDBDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000423706204 304904812 /nfs/dbraw/zinc/90/48/12/304904812.db2.gz QFMXGKZXPFIGFE-JSGCOSHPSA-N 1 0 348.403 1.106 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1[NH3+] ZINC000423944717 304920262 /nfs/dbraw/zinc/92/02/62/304920262.db2.gz HJRAWRVBYYVJJB-HQJQHLMTSA-N 1 0 328.166 1.777 20 5 EDBDRO COc1ccc(NC(=O)CCN2CC[C@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000428032585 305004500 /nfs/dbraw/zinc/00/45/00/305004500.db2.gz KJMLAUBTSQPNFD-TZMCWYRMSA-N 1 0 348.403 1.616 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC1CCC([NH3+])CC1 ZINC000428972474 305021271 /nfs/dbraw/zinc/02/12/71/305021271.db2.gz FTJQYFFZROKQKD-MCIGGMRASA-N 1 0 338.412 1.213 20 5 EDBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1(CO)CCC1 ZINC000429240353 305026368 /nfs/dbraw/zinc/02/63/68/305026368.db2.gz SZMMAEGSNNOPEE-UHFFFAOYSA-N 1 0 335.360 1.740 20 5 EDBDRO COc1ccc(NC(=O)[C@@H](C)N2C[C@@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430927867 305068690 /nfs/dbraw/zinc/06/86/90/305068690.db2.gz JPRBTJOXGCJYRT-GRYCIOLGSA-N 1 0 336.392 1.613 20 5 EDBDRO COc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc([N+](=O)[O-])c1OC ZINC000446373460 305264102 /nfs/dbraw/zinc/26/41/02/305264102.db2.gz STWVALBUKIRRDF-TXEJJXNPSA-N 1 0 335.360 1.579 20 5 EDBDRO COc1ccc(OCC[NH2+][C@H](CO)[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000447910593 305288808 /nfs/dbraw/zinc/28/88/08/305288808.db2.gz CZLUNDIYLNGVFY-OCCSQVGLSA-N 1 0 326.349 1.112 20 5 EDBDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449255522 305309888 /nfs/dbraw/zinc/30/98/88/305309888.db2.gz DVFWMSPCCGTDOM-FRFSOERESA-N 1 0 338.404 1.936 20 5 EDBDRO CC[C@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)NC ZINC000449782218 305318929 /nfs/dbraw/zinc/31/89/29/305318929.db2.gz YDVZXSAJSLSMTO-AWEZNQCLSA-N 1 0 331.376 1.610 20 5 EDBDRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000451338474 305340149 /nfs/dbraw/zinc/34/01/49/305340149.db2.gz TZWAADJULQVUET-INIZCTEOSA-N 1 0 338.360 1.615 20 5 EDBDRO C[C@@H]([N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(C)(C)O ZINC000451373270 305342098 /nfs/dbraw/zinc/34/20/98/305342098.db2.gz RPAVNVBWUWSLOY-LLVKDONJSA-N 1 0 337.376 1.984 20 5 EDBDRO CCc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000452395394 305397695 /nfs/dbraw/zinc/39/76/95/305397695.db2.gz WNZLTRGSJSVFQR-OAHLLOKOSA-N 1 0 335.404 1.734 20 5 EDBDRO C[NH+](C)CC(C)(C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000457228033 305484825 /nfs/dbraw/zinc/48/48/25/305484825.db2.gz XCWQBALIVSOCIE-UHFFFAOYSA-N 1 0 332.364 1.246 20 5 EDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000493635212 447357275 /nfs/dbraw/zinc/35/72/75/447357275.db2.gz VACSCKZZSKLUHH-QDOCKXBDSA-N 1 0 345.334 2.117 20 5 EDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000514938600 305710261 /nfs/dbraw/zinc/71/02/61/305710261.db2.gz XIWVZIHWKHTFLY-JQWIXIFHSA-N 1 0 330.348 1.033 20 5 EDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccn([C@H]2CC[NH2+]C2)n1 ZINC000493655287 447358473 /nfs/dbraw/zinc/35/84/73/447358473.db2.gz GIJARHQNKYQGQO-NNTXTVRGSA-N 1 0 327.344 1.978 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)ccc1[N+](=O)[O-] ZINC000517757628 305756263 /nfs/dbraw/zinc/75/62/63/305756263.db2.gz UOIYTVLUCXHFTC-UHFFFAOYSA-N 1 0 339.417 1.795 20 5 EDBDRO CC(C)[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+](C)C ZINC000518398810 305761561 /nfs/dbraw/zinc/76/15/61/305761561.db2.gz GZPXNNAQLZRXOT-OAHLLOKOSA-N 1 0 335.408 1.225 20 5 EDBDRO COc1cc(CN[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414944953 447366980 /nfs/dbraw/zinc/36/69/80/447366980.db2.gz OVGBMNMMXLQKSR-QMMMGPOBSA-N 1 0 337.298 1.981 20 5 EDBDRO CC1(C)c2ccccc2CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000552678704 306180810 /nfs/dbraw/zinc/18/08/10/306180810.db2.gz ZFFMLYOIXQKWLD-OAHLLOKOSA-N 1 0 330.388 1.946 20 5 EDBDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415431496 447433201 /nfs/dbraw/zinc/43/32/01/447433201.db2.gz DNUNOPSNLFAMEN-JTQLQIEISA-N 1 0 328.756 1.286 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000047386837 441180676 /nfs/dbraw/zinc/18/06/76/441180676.db2.gz NGQUJNSGSYMRHZ-UHFFFAOYSA-N 1 0 333.388 1.779 20 5 EDBDRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000014252364 441180935 /nfs/dbraw/zinc/18/09/35/441180935.db2.gz KXAWNCIWDSUBQO-UHFFFAOYSA-N 1 0 327.406 1.748 20 5 EDBDRO CC(C)(C)[NH2+]CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000073147141 441298597 /nfs/dbraw/zinc/29/85/97/441298597.db2.gz WPXNDYTXEIUKCH-UHFFFAOYSA-N 1 0 337.376 1.413 20 5 EDBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)C2)CC1 ZINC000106800694 441372526 /nfs/dbraw/zinc/37/25/26/441372526.db2.gz HDZYTXCNHRIDBV-GFCCVEGCSA-N 1 0 338.433 1.508 20 5 EDBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000106803335 441373808 /nfs/dbraw/zinc/37/38/08/441373808.db2.gz LCBDIAOFDJBRSN-MRXNPFEDSA-N 1 0 346.431 1.376 20 5 EDBDRO CC(C)[NH2+]C1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000108370094 441449802 /nfs/dbraw/zinc/44/98/02/441449802.db2.gz CKSLWYXTGITQOG-UHFFFAOYSA-N 1 0 346.431 1.946 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000065769043 441483464 /nfs/dbraw/zinc/48/34/64/441483464.db2.gz ZJMUMYODICRPPG-HNNXBMFYSA-N 1 0 331.376 1.601 20 5 EDBDRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000111353098 441535415 /nfs/dbraw/zinc/53/54/15/441535415.db2.gz DTUNQZLVLFQYFM-HNNXBMFYSA-N 1 0 341.433 1.889 20 5 EDBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000112922714 441569773 /nfs/dbraw/zinc/56/97/73/441569773.db2.gz MHTNTOSIADDKMJ-OAHLLOKOSA-N 1 0 348.447 1.527 20 5 EDBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000159390187 441809711 /nfs/dbraw/zinc/80/97/11/441809711.db2.gz YNSRIUZVLBIETC-MRXNPFEDSA-N 1 0 332.404 1.509 20 5 EDBDRO Cc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000122002556 441826768 /nfs/dbraw/zinc/82/67/68/441826768.db2.gz VOIIMOZYDBYZEA-CYBMUJFWSA-N 1 0 334.420 1.517 20 5 EDBDRO CCN1CCC[C@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000124290475 441914847 /nfs/dbraw/zinc/91/48/47/441914847.db2.gz QMBVPMJHDAXDCN-NSHDSACASA-N 1 0 327.406 1.895 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000069129167 441895977 /nfs/dbraw/zinc/89/59/77/441895977.db2.gz ISIBHNSMWPATRP-NSHDSACASA-N 1 0 327.406 1.664 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000160948005 441938838 /nfs/dbraw/zinc/93/88/38/441938838.db2.gz JYURGCRYVDPIAQ-OLZOCXBDSA-N 1 0 329.360 1.780 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000078572486 441946218 /nfs/dbraw/zinc/94/62/18/441946218.db2.gz PTFCMBMYXPZUCR-GFCCVEGCSA-N 1 0 327.406 1.523 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000126229919 442090629 /nfs/dbraw/zinc/09/06/29/442090629.db2.gz LJFOJGPJBVBMIV-OCCSQVGLSA-N 1 0 349.387 1.585 20 5 EDBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000175362121 442049897 /nfs/dbraw/zinc/04/98/97/442049897.db2.gz MMOJFVRVXGKQPW-UHFFFAOYSA-N 1 0 333.385 1.744 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000126058995 442073822 /nfs/dbraw/zinc/07/38/22/442073822.db2.gz DWUKXPLNGWNKPR-YGRLFVJLSA-N 1 0 331.376 1.883 20 5 EDBDRO Cc1cc(NC(=O)C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)no1 ZINC000176201206 442189680 /nfs/dbraw/zinc/18/96/80/442189680.db2.gz XCCPAUQEKGYFDA-UHFFFAOYSA-N 1 0 348.363 1.438 20 5 EDBDRO CN(C)S(=O)(=O)CCCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153283201 442272869 /nfs/dbraw/zinc/27/28/69/442272869.db2.gz DSMMLBHVEGRQFL-UHFFFAOYSA-N 1 0 327.406 1.234 20 5 EDBDRO COC(=O)[C@]1(C)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000177474088 442346439 /nfs/dbraw/zinc/34/64/39/442346439.db2.gz PTHPPIYXHVBRTM-MRXNPFEDSA-N 1 0 335.360 1.808 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155356267 442390921 /nfs/dbraw/zinc/39/09/21/442390921.db2.gz YXTUAVQVMXAICC-OAHLLOKOSA-N 1 0 341.433 1.841 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000172018113 442399627 /nfs/dbraw/zinc/39/96/27/442399627.db2.gz MOVDXIKUWMAOCB-LBPRGKRZSA-N 1 0 341.433 1.913 20 5 EDBDRO COC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000178001058 442400312 /nfs/dbraw/zinc/40/03/12/442400312.db2.gz AHAHOJWSIOBIJJ-CQSZACIVSA-N 1 0 345.421 1.134 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000172020233 442400431 /nfs/dbraw/zinc/40/04/31/442400431.db2.gz KXNGQGJEIMONNO-NSHDSACASA-N 1 0 327.406 1.664 20 5 EDBDRO CC(C)[N@H+](C)CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000155558384 442407954 /nfs/dbraw/zinc/40/79/54/442407954.db2.gz MTHFJDLQSUOXDD-UHFFFAOYSA-N 1 0 329.422 1.397 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000172207828 442423901 /nfs/dbraw/zinc/42/39/01/442423901.db2.gz BMTIXMXFPXULLC-SNVBAGLBSA-N 1 0 347.824 1.820 20 5 EDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)C1 ZINC000133922820 442440223 /nfs/dbraw/zinc/44/02/23/442440223.db2.gz BJGYHRRDEWTKHU-GFCCVEGCSA-N 1 0 344.375 1.308 20 5 EDBDRO CCCNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178858512 442504858 /nfs/dbraw/zinc/50/48/58/442504858.db2.gz CPDRMPFAQILPMY-ZBFHGGJFSA-N 1 0 335.404 1.866 20 5 EDBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000156352522 442471092 /nfs/dbraw/zinc/47/10/92/442471092.db2.gz BLRUYOKMMLLZOM-JSGCOSHPSA-N 1 0 348.403 1.722 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000191863422 442526608 /nfs/dbraw/zinc/52/66/08/442526608.db2.gz POQKEMWCZBGMNV-JSGCOSHPSA-N 1 0 347.419 1.900 20 5 EDBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000178923015 442526598 /nfs/dbraw/zinc/52/65/98/442526598.db2.gz MJXFFNQTVKXECW-UHFFFAOYSA-N 1 0 345.403 1.818 20 5 EDBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000178930301 442529729 /nfs/dbraw/zinc/52/97/29/442529729.db2.gz LBTPKIAVWFKSNE-ZDUSSCGKSA-N 1 0 341.433 1.974 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000178943447 442533706 /nfs/dbraw/zinc/53/37/06/442533706.db2.gz GITDBRLQOINUCP-CYBMUJFWSA-N 1 0 343.449 1.787 20 5 EDBDRO COC(=O)Cn1cc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000180459466 442605315 /nfs/dbraw/zinc/60/53/15/442605315.db2.gz YUOAUWDFTTUIBJ-LLVKDONJSA-N 1 0 333.348 1.253 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1OC ZINC000157713860 442606318 /nfs/dbraw/zinc/60/63/18/442606318.db2.gz CLFNCNYQCZDPTK-CMPLNLGQSA-N 1 0 337.376 1.859 20 5 EDBDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000173266058 442635820 /nfs/dbraw/zinc/63/58/20/442635820.db2.gz ILRNKTQKLDESSL-VHSXEESVSA-N 1 0 333.435 1.760 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000192921156 442698231 /nfs/dbraw/zinc/69/82/31/442698231.db2.gz OPUXRHRGQWTWJW-TXEJJXNPSA-N 1 0 325.390 1.085 20 5 EDBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(-n2ccnn2)cc1 ZINC000182007688 442727610 /nfs/dbraw/zinc/72/76/10/442727610.db2.gz CWXPFTZNXJNOSA-LBPRGKRZSA-N 1 0 327.348 1.723 20 5 EDBDRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000193334833 442734401 /nfs/dbraw/zinc/73/44/01/442734401.db2.gz UOLMFZJRTXDEBG-LBPRGKRZSA-N 1 0 327.406 1.584 20 5 EDBDRO CCN1CCc2nc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)sc2C1 ZINC000193385665 442737817 /nfs/dbraw/zinc/73/78/17/442737817.db2.gz UVOOWYDULYPYFM-UHFFFAOYSA-N 1 0 349.372 1.782 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000182217757 442746999 /nfs/dbraw/zinc/74/69/99/442746999.db2.gz OJDGFSQQBSAEFW-UONOGXRCSA-N 1 0 346.387 1.937 20 5 EDBDRO CCOc1cc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000193517311 442750381 /nfs/dbraw/zinc/75/03/81/442750381.db2.gz YXSUWGMDRIWCCL-ZYHUDNBSSA-N 1 0 337.376 1.872 20 5 EDBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000193580016 442755762 /nfs/dbraw/zinc/75/57/62/442755762.db2.gz IOUZNXFJAYIQOT-CYBMUJFWSA-N 1 0 349.435 1.302 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000193871770 442802629 /nfs/dbraw/zinc/80/26/29/442802629.db2.gz WEOXCDZAWPFJJS-JTQLQIEISA-N 1 0 343.380 1.497 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000265587575 442834704 /nfs/dbraw/zinc/83/47/04/442834704.db2.gz JZUBNZWHMCYDSJ-OAHLLOKOSA-N 1 0 347.415 1.754 20 5 EDBDRO C[C@H](CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[N@H+](C)C1CC1 ZINC000183010088 442864347 /nfs/dbraw/zinc/86/43/47/442864347.db2.gz VCKYWOHIARJGEE-BDJLRTHQSA-N 1 0 346.387 1.687 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000268158790 442875793 /nfs/dbraw/zinc/87/57/93/442875793.db2.gz IVGRSCCPUNINFG-HZMBPMFUSA-N 1 0 346.387 1.441 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181533169 318485392 /nfs/dbraw/zinc/48/53/92/318485392.db2.gz COHCJFRVAUBFHF-LBPRGKRZSA-N 1 0 335.360 1.880 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000248673279 442916254 /nfs/dbraw/zinc/91/62/54/442916254.db2.gz GWPXDSWTZVEYJT-ZBEGNZNMSA-N 1 0 332.360 1.638 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)O[C@@H](CO)C1 ZINC000248863037 442931952 /nfs/dbraw/zinc/93/19/52/442931952.db2.gz ALPLTPPROHUBNR-TZMCWYRMSA-N 1 0 337.376 1.313 20 5 EDBDRO C[C@H]1CCC[C@](CNC(=O)c2cc([N+](=O)[O-])cnc2N)([NH+](C)C)C1 ZINC000183691738 442953784 /nfs/dbraw/zinc/95/37/84/442953784.db2.gz YSNBTIYLHAUSOM-ZBEGNZNMSA-N 1 0 335.408 1.812 20 5 EDBDRO CCc1nn(C)c(NC[C@@H](C)C[NH+]2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000189448251 442956219 /nfs/dbraw/zinc/95/62/19/442956219.db2.gz RVDYQWLHQKHGFQ-CYBMUJFWSA-N 1 0 338.456 1.576 20 5 EDBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000249594349 442992526 /nfs/dbraw/zinc/99/25/26/442992526.db2.gz WJPZYYIQONWRPC-ABAIWWIYSA-N 1 0 348.403 1.818 20 5 EDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000189432700 442951901 /nfs/dbraw/zinc/95/19/01/442951901.db2.gz ZIMWFXFLXJRMBR-CQSZACIVSA-N 1 0 337.420 1.751 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000249771074 443005034 /nfs/dbraw/zinc/00/50/34/443005034.db2.gz SNLLKSVHFVTTJH-GXTWGEPZSA-N 1 0 348.403 1.314 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000268884705 443137253 /nfs/dbraw/zinc/13/72/53/443137253.db2.gz WZFBZWRUVNKQEJ-OAHLLOKOSA-N 1 0 348.403 1.346 20 5 EDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000268899062 443140779 /nfs/dbraw/zinc/14/07/79/443140779.db2.gz ZLIKQLDITGAXIT-AWEZNQCLSA-N 1 0 333.392 1.041 20 5 EDBDRO CN(Cc1nc2ccccc2s1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266482117 443141379 /nfs/dbraw/zinc/14/13/79/443141379.db2.gz TXQLGOFWXVLKOZ-GFCCVEGCSA-N 1 0 347.400 1.894 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NCC(C)(C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000298323952 318809509 /nfs/dbraw/zinc/80/95/09/318809509.db2.gz VDVZOEVKHJKSHU-UHFFFAOYSA-N 1 0 336.392 1.089 20 5 EDBDRO COc1cc(C(=O)N2C[C@H]3CC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000184955803 443106208 /nfs/dbraw/zinc/10/62/08/443106208.db2.gz FKSTVVBGUPXGRH-JLLWLGSASA-N 1 0 335.360 1.421 20 5 EDBDRO CN1CCN(C)[C@@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000268864926 443129932 /nfs/dbraw/zinc/12/99/32/443129932.db2.gz FHNLXCMDLUZQPD-IRXDYDNUSA-N 1 0 332.448 1.751 20 5 EDBDRO CCc1nnc(C2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)[nH]1 ZINC000190710399 443168512 /nfs/dbraw/zinc/16/85/12/443168512.db2.gz ZIQKPWDFTISSCL-UHFFFAOYSA-N 1 0 346.391 1.317 20 5 EDBDRO C[C@@H]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C[NH3+] ZINC000237449222 443171755 /nfs/dbraw/zinc/17/17/55/443171755.db2.gz IKAQWJKASRMJPP-WBMJQRKESA-N 1 0 343.387 1.980 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000261930326 443174212 /nfs/dbraw/zinc/17/42/12/443174212.db2.gz JMTDBVOLCCNKPD-LBPRGKRZSA-N 1 0 327.406 1.653 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1C ZINC000261971110 443177611 /nfs/dbraw/zinc/17/76/11/443177611.db2.gz ZADYHYAJJZULGA-TZMCWYRMSA-N 1 0 339.417 1.584 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000269031968 443177910 /nfs/dbraw/zinc/17/79/10/443177910.db2.gz ANRMAOSAUFPOAQ-RDJZCZTQSA-N 1 0 345.403 1.729 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237726220 443180771 /nfs/dbraw/zinc/18/07/71/443180771.db2.gz DOLZHJYGVXIGFX-ZACCUICWSA-N 1 0 345.808 1.810 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262329890 443190600 /nfs/dbraw/zinc/19/06/00/443190600.db2.gz SGMCMGGXPZYVDP-MNOVXSKESA-N 1 0 345.808 1.763 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC000190847815 443195469 /nfs/dbraw/zinc/19/54/69/443195469.db2.gz CUMKAXXLMVWODT-STQMWFEESA-N 1 0 339.392 1.295 20 5 EDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000268956771 443159044 /nfs/dbraw/zinc/15/90/44/443159044.db2.gz DOPJPXCPLNWVGX-WMLDXEAASA-N 1 0 346.431 1.894 20 5 EDBDRO C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237134502 443160483 /nfs/dbraw/zinc/16/04/83/443160483.db2.gz NYGUTNHPDZTZLL-VHSXEESVSA-N 1 0 329.784 1.987 20 5 EDBDRO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000269192315 443227957 /nfs/dbraw/zinc/22/79/57/443227957.db2.gz KQHSAMYESMCLMJ-GHMZBOCLSA-N 1 0 325.340 1.617 20 5 EDBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000185686841 443239388 /nfs/dbraw/zinc/23/93/88/443239388.db2.gz DMXSLDMTJAYRGQ-CYBMUJFWSA-N 1 0 338.412 1.355 20 5 EDBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000262523129 443199490 /nfs/dbraw/zinc/19/94/90/443199490.db2.gz OMBICZYLKHWMCM-KOLCDFICSA-N 1 0 329.353 1.106 20 5 EDBDRO [NH3+]C1(CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000269119324 443203723 /nfs/dbraw/zinc/20/37/23/443203723.db2.gz YOTZOSDALZCEDX-UHFFFAOYSA-N 1 0 348.403 1.493 20 5 EDBDRO CNc1nc(-c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000351100887 319092632 /nfs/dbraw/zinc/09/26/32/319092632.db2.gz ZHNXXOMSFXUOSP-JOYOIKCWSA-N 1 0 346.347 1.617 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000411610652 319188028 /nfs/dbraw/zinc/18/80/28/319188028.db2.gz YIAFRUNNTWVBDF-JQWIXIFHSA-N 1 0 341.339 1.337 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000411662605 319193783 /nfs/dbraw/zinc/19/37/83/319193783.db2.gz BYJJFSMEUUMGND-CYBMUJFWSA-N 1 0 348.403 1.690 20 5 EDBDRO C[NH2+][C@@H](C)Cc1noc(-c2cccc([N+](=O)[O-])c2N2CCOCC2)n1 ZINC000414641595 319334740 /nfs/dbraw/zinc/33/47/40/319334740.db2.gz IJBKDVLHGMYUET-NSHDSACASA-N 1 0 347.375 1.632 20 5 EDBDRO COc1cc(C[NH2+]C[C@H]2CCNCC2(F)F)c([N+](=O)[O-])cc1OC ZINC000415011038 319345412 /nfs/dbraw/zinc/34/54/12/319345412.db2.gz VSDYLUMNZQUCJV-LLVKDONJSA-N 1 0 345.346 1.946 20 5 EDBDRO Cn1cc(CN2CC[NH+](CCO)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000269353788 443291243 /nfs/dbraw/zinc/29/12/43/443291243.db2.gz LFRRAWSDDGXMKS-UHFFFAOYSA-N 1 0 345.403 1.105 20 5 EDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185975261 443292682 /nfs/dbraw/zinc/29/26/82/443292682.db2.gz VDKSZPNNVYDETC-DOMZBBRYSA-N 1 0 339.417 1.700 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000264562609 443327506 /nfs/dbraw/zinc/32/75/06/443327506.db2.gz QWRXLDKNYBJCHI-NSHDSACASA-N 1 0 327.768 1.699 20 5 EDBDRO CCCCC[N@@H+](CC(N)=O)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000272479090 443333051 /nfs/dbraw/zinc/33/30/51/443333051.db2.gz AWCBEFGKUOUUMH-AWEZNQCLSA-N 1 0 339.392 1.312 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418557880 319504351 /nfs/dbraw/zinc/50/43/51/319504351.db2.gz JWSQKJTYKHOKSU-BBRMVZONSA-N 1 0 347.419 1.567 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000267096987 443340795 /nfs/dbraw/zinc/34/07/95/443340795.db2.gz JVEGLZPPRQUZAI-HNNXBMFYSA-N 1 0 339.417 1.771 20 5 EDBDRO COC[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)OC ZINC000272636626 443390938 /nfs/dbraw/zinc/39/09/38/443390938.db2.gz BTXDOJCFVPOBJQ-HNNXBMFYSA-N 1 0 334.376 1.746 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420368327 319611414 /nfs/dbraw/zinc/61/14/14/319611414.db2.gz NOQJJQJWPGZJFW-OHUAYANFSA-N 1 0 336.392 1.518 20 5 EDBDRO CCOc1ccc(NC(=O)CN2C[C@@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000420396133 319615569 /nfs/dbraw/zinc/61/55/69/319615569.db2.gz LUQUOWPRUXSJEO-NEPJUHHUSA-N 1 0 336.392 1.614 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)[C@@H]2C1 ZINC000272661946 443401113 /nfs/dbraw/zinc/40/11/13/443401113.db2.gz ROQJJSJKSDUKJI-GXFFZTMASA-N 1 0 333.344 1.490 20 5 EDBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000269795477 443444600 /nfs/dbraw/zinc/44/46/00/443444600.db2.gz KUARSQQNKJJCFS-GXTWGEPZSA-N 1 0 333.388 1.719 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N(C)[C@H]2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000423585518 319787923 /nfs/dbraw/zinc/78/79/23/319787923.db2.gz ACDRJXXNTAWXHX-AWEZNQCLSA-N 1 0 348.403 1.234 20 5 EDBDRO C[C@H](Cn1cccn1)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000265071964 443524069 /nfs/dbraw/zinc/52/40/69/443524069.db2.gz OECSVNCBANMMQS-GFCCVEGCSA-N 1 0 329.360 1.359 20 5 EDBDRO CC(C)[N@H+](C)CCCNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000273043986 443527473 /nfs/dbraw/zinc/52/74/73/443527473.db2.gz TWIVBMGOWKKMCW-INIZCTEOSA-N 1 0 348.403 1.934 20 5 EDBDRO CN(C)c1cc(F)c(C(=O)N(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000279193518 443530713 /nfs/dbraw/zinc/53/07/13/443530713.db2.gz JXUGEPSNVUBJGN-UHFFFAOYSA-N 1 0 338.383 1.966 20 5 EDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000265245179 443582215 /nfs/dbraw/zinc/58/22/15/443582215.db2.gz VBFUZKVWHOXFDD-GFCCVEGCSA-N 1 0 341.433 1.776 20 5 EDBDRO C[N@H+]1CC=C(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000273976915 443589908 /nfs/dbraw/zinc/58/99/08/443589908.db2.gz QBLBXJQSMNRBAX-UHFFFAOYSA-N 1 0 325.390 1.276 20 5 EDBDRO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000279692554 443618610 /nfs/dbraw/zinc/61/86/10/443618610.db2.gz IGXJYYMVNAGXOQ-KRWDZBQOSA-N 1 0 344.415 1.870 20 5 EDBDRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000440802461 320080399 /nfs/dbraw/zinc/08/03/99/320080399.db2.gz KHAHXIBCBBYKHE-SNVBAGLBSA-N 1 0 347.824 1.998 20 5 EDBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C)[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000286206341 443667606 /nfs/dbraw/zinc/66/76/06/443667606.db2.gz OFAXIGTVCBIQIS-YUSALJHKSA-N 1 0 334.376 1.283 20 5 EDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000449615961 320195112 /nfs/dbraw/zinc/19/51/12/320195112.db2.gz OFTIAJAPHYCXNA-JPZVUWATSA-N 1 0 333.388 1.996 20 5 EDBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCCC[C@@H]1CCC[NH2+]1 ZINC000449678044 320199267 /nfs/dbraw/zinc/19/92/67/320199267.db2.gz DOUPKDDEPAJTHC-ZDUSSCGKSA-N 1 0 349.387 1.557 20 5 EDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000449711092 320201085 /nfs/dbraw/zinc/20/10/85/320201085.db2.gz CNFAEWJBJWKVDY-RYUDHWBXSA-N 1 0 329.360 1.638 20 5 EDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449752270 320205464 /nfs/dbraw/zinc/20/54/64/320205464.db2.gz MNEIECDFTARMGV-CQSZACIVSA-N 1 0 329.360 1.651 20 5 EDBDRO Cn1cc(N2CC[C@@H]([NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])C2=O)cn1 ZINC000519762662 320472794 /nfs/dbraw/zinc/47/27/94/320472794.db2.gz BNNOQXVVQCPZMG-HUUCEWRRSA-N 1 0 341.371 1.711 20 5 EDBDRO COC(=O)[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000280784560 443744935 /nfs/dbraw/zinc/74/49/35/443744935.db2.gz QKKCDEFFGTYQFX-FRRDWIJNSA-N 1 0 338.360 1.075 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298511016 443787252 /nfs/dbraw/zinc/78/72/52/443787252.db2.gz WVLVWKZEOWKSQS-KBPBESRZSA-N 1 0 339.417 1.808 20 5 EDBDRO C[C@H](CO)[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000276622776 443768882 /nfs/dbraw/zinc/76/88/82/443768882.db2.gz UWUPSNFYRFGVAK-HIFRSBDPSA-N 1 0 338.404 1.960 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000298468202 443776427 /nfs/dbraw/zinc/77/64/27/443776427.db2.gz ADSHWCUMPHKLEB-CJNGLKHVSA-N 1 0 336.388 1.835 20 5 EDBDRO Cc1cc(OCC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000281551842 443941250 /nfs/dbraw/zinc/94/12/50/443941250.db2.gz XSJRIVKLXKHVFV-UONOGXRCSA-N 1 0 333.388 1.977 20 5 EDBDRO CC[C@@H](NC(=O)C(=O)NCC[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000285226416 443902532 /nfs/dbraw/zinc/90/25/32/443902532.db2.gz XCVBDONHGHHUKC-OAHLLOKOSA-N 1 0 348.403 1.373 20 5 EDBDRO COc1ccc(S(=O)(=O)NC2(C[NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000281673995 443976183 /nfs/dbraw/zinc/97/61/83/443976183.db2.gz XVKAPXPKRPNHSD-UHFFFAOYSA-N 1 0 343.405 1.366 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000293311575 443980634 /nfs/dbraw/zinc/98/06/34/443980634.db2.gz QHKGGIDYBBELOG-YESZJQIVSA-N 1 0 335.404 1.423 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(Cc3c(F)cc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000285433948 443983058 /nfs/dbraw/zinc/98/30/58/443983058.db2.gz WXMOCWDOFVFUOV-GJZGRUSLSA-N 1 0 327.331 1.778 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000277660528 444021166 /nfs/dbraw/zinc/02/11/66/444021166.db2.gz WHRFKNVJSNUHSZ-ZDUSSCGKSA-N 1 0 349.387 1.398 20 5 EDBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293467095 444025871 /nfs/dbraw/zinc/02/58/71/444025871.db2.gz QJNNWOXPFDAKCT-GXTWGEPZSA-N 1 0 330.388 1.993 20 5 EDBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000299486614 444059961 /nfs/dbraw/zinc/05/99/61/444059961.db2.gz BDRWHQGLKFZTMR-HUUCEWRRSA-N 1 0 333.436 1.985 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2C[C@H](c3ccccc3F)C2)c1 ZINC000564864401 321152875 /nfs/dbraw/zinc/15/28/75/321152875.db2.gz QAWYLALCZKRPRR-OBJOEFQTSA-N 1 0 334.351 1.827 20 5 EDBDRO Cn1c(C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1[N+](=O)[O-] ZINC000567842509 321261751 /nfs/dbraw/zinc/26/17/51/321261751.db2.gz QQERIIBCTMNUCS-JSGCOSHPSA-N 1 0 336.392 1.292 20 5 EDBDRO CN(C)[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccsc1 ZINC000569065906 321316780 /nfs/dbraw/zinc/31/67/80/321316780.db2.gz YYNKTDJBVFPYCA-UONOGXRCSA-N 1 0 339.421 1.106 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000569194913 321321190 /nfs/dbraw/zinc/32/11/90/321321190.db2.gz CNQYBAPUBDWIFN-WDEREUQCSA-N 1 0 333.344 1.048 20 5 EDBDRO CC[C@@H](C)[C@H](O)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570515410 321344143 /nfs/dbraw/zinc/34/41/43/321344143.db2.gz HGLWWXVANJRHAW-BXUZGUMPSA-N 1 0 330.406 1.365 20 5 EDBDRO C[C@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[N@H+](C)C1CC1 ZINC000278200716 444116101 /nfs/dbraw/zinc/11/61/01/444116101.db2.gz PVNSVYJTKYZIKY-SNVBAGLBSA-N 1 0 346.391 1.753 20 5 EDBDRO Cc1c(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000278300980 444133458 /nfs/dbraw/zinc/13/34/58/444133458.db2.gz RVNHDJMAAVZXJI-LDYMZIIASA-N 1 0 336.348 1.990 20 5 EDBDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cn1 ZINC000302441894 444213494 /nfs/dbraw/zinc/21/34/94/444213494.db2.gz NHBPWIBJQJEEHR-QGZVFWFLSA-N 1 0 343.387 1.458 20 5 EDBDRO C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000296238040 444214906 /nfs/dbraw/zinc/21/49/06/444214906.db2.gz CNRLPFVSPIXJHW-SUNKGSAMSA-N 1 0 343.405 1.029 20 5 EDBDRO CC1(C)C[C@@H](O)CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000296270162 444216612 /nfs/dbraw/zinc/21/66/12/444216612.db2.gz YFMTYGQKSIPSQI-HNNXBMFYSA-N 1 0 347.415 1.967 20 5 EDBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000301599851 444181399 /nfs/dbraw/zinc/18/13/99/444181399.db2.gz IGGDSCUFYGTWQR-ZDUSSCGKSA-N 1 0 345.403 1.993 20 5 EDBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301897043 444195987 /nfs/dbraw/zinc/19/59/87/444195987.db2.gz QUZVJYOUYPYNCH-LBPRGKRZSA-N 1 0 341.433 1.776 20 5 EDBDRO CC1=CCN(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000577276161 321638915 /nfs/dbraw/zinc/63/89/15/321638915.db2.gz UQAIZODYEBSFQN-HNNXBMFYSA-N 1 0 335.404 1.576 20 5 EDBDRO Cc1sc(C(=O)NCCC[N@@H+](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000290726063 444315528 /nfs/dbraw/zinc/31/55/28/444315528.db2.gz WAGUPHVCYVZSNN-UHFFFAOYSA-N 1 0 328.438 1.578 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC[C@H]1[NH3+] ZINC000317568870 444316477 /nfs/dbraw/zinc/31/64/77/444316477.db2.gz LJBMSRPNGRUDER-WCQYABFASA-N 1 0 327.406 1.651 20 5 EDBDRO [NH3+]CC1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000319546440 444324749 /nfs/dbraw/zinc/32/47/49/444324749.db2.gz BXYAIJYYMGFQMK-UHFFFAOYSA-N 1 0 327.406 1.638 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000290540373 444293196 /nfs/dbraw/zinc/29/31/96/444293196.db2.gz DEFQHZSPNOIIOF-UHFFFAOYSA-N 1 0 342.827 1.862 20 5 EDBDRO Cc1c(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cccc1[N+](=O)[O-] ZINC000297509285 444295258 /nfs/dbraw/zinc/29/52/58/444295258.db2.gz RAMOHPJPZMYDFH-CYBMUJFWSA-N 1 0 336.392 1.872 20 5 EDBDRO CC[C@@H]1CN(c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000322437554 444340013 /nfs/dbraw/zinc/34/00/13/444340013.db2.gz QSSGLKDZYXCHGS-PWSUYJOCSA-N 1 0 342.421 1.067 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c([N+](=O)[O-])cc1OC ZINC000326578114 444376345 /nfs/dbraw/zinc/37/63/45/444376345.db2.gz AJNLYNRWQDNXNL-AMJWSMQMSA-N 1 0 337.376 1.728 20 5 EDBDRO CCCC[C@@H](C[NH3+])Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000321218763 444334803 /nfs/dbraw/zinc/33/48/03/444334803.db2.gz YHEJFUNCUUPIST-NSHDSACASA-N 1 0 344.437 1.775 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000331526799 444475512 /nfs/dbraw/zinc/47/55/12/444475512.db2.gz OTVFSVGIOHNJKY-QMTHXVAHSA-N 1 0 325.390 1.356 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000338014346 444486561 /nfs/dbraw/zinc/48/65/61/444486561.db2.gz GMSAIVHXENVCOX-OAHLLOKOSA-N 1 0 335.404 1.990 20 5 EDBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000580897589 322109870 /nfs/dbraw/zinc/10/98/70/322109870.db2.gz BSXICSPEINQSIW-CYBMUJFWSA-N 1 0 341.433 1.842 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000342245508 444585336 /nfs/dbraw/zinc/58/53/36/444585336.db2.gz JZPVFKNDMGVQQH-TVQRCGJNSA-N 1 0 340.405 1.137 20 5 EDBDRO CCCN(Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CC(=O)N(C)C1=O ZINC000338329785 444636739 /nfs/dbraw/zinc/63/67/39/444636739.db2.gz MHLMEQQJLVLUAQ-ZDUSSCGKSA-N 1 0 335.360 1.573 20 5 EDBDRO C[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C[NH+](C)C ZINC000341273803 444756847 /nfs/dbraw/zinc/75/68/47/444756847.db2.gz XVFXLUSCDSSGCP-LBPRGKRZSA-N 1 0 331.376 1.708 20 5 EDBDRO C[NH+]1CCN(CCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000341297877 444766500 /nfs/dbraw/zinc/76/65/00/444766500.db2.gz YUBITESNTHDVKJ-UHFFFAOYSA-N 1 0 341.415 2.316 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000338724071 444821797 /nfs/dbraw/zinc/82/17/97/444821797.db2.gz NPGOIBXALQQBTH-JTQLQIEISA-N 1 0 333.435 1.667 20 5 EDBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000330393827 444964338 /nfs/dbraw/zinc/96/43/38/444964338.db2.gz CLWXMYSDRROLNK-CYBMUJFWSA-N 1 0 335.408 1.165 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342920274 444941060 /nfs/dbraw/zinc/94/10/60/444941060.db2.gz KCJMGMRILQLXSL-LBPRGKRZSA-N 1 0 345.403 1.442 20 5 EDBDRO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339026441 444994023 /nfs/dbraw/zinc/99/40/23/444994023.db2.gz YVRDFZVDBVZXAM-GHMZBOCLSA-N 1 0 340.405 1.281 20 5 EDBDRO CO[C@@H]1C[C@H](CN(C)C(=O)COc2cccc([N+](=O)[O-])c2)[N@H+](C)C1 ZINC000344490532 445007200 /nfs/dbraw/zinc/00/72/00/445007200.db2.gz DQJHEPVZVAJSGZ-UKRRQHHQSA-N 1 0 337.376 1.151 20 5 EDBDRO Cc1n[nH]c(C(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000343061097 445034883 /nfs/dbraw/zinc/03/48/83/445034883.db2.gz CBHZQAQZIKWQPJ-STQMWFEESA-N 1 0 329.360 1.454 20 5 EDBDRO CO[C@@H]1C[C@@H](CN(C)C(=O)Cc2cccc([N+](=O)[O-])c2C)[N@H+](C)C1 ZINC000344493315 445009004 /nfs/dbraw/zinc/00/90/04/445009004.db2.gz HFMMDOITGGVPBG-LSDHHAIUSA-N 1 0 335.404 1.623 20 5 EDBDRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000337286842 445016930 /nfs/dbraw/zinc/01/69/30/445016930.db2.gz MPIZWSTWITVARB-QWRGUYRKSA-N 1 0 333.435 1.464 20 5 EDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000330621789 445066266 /nfs/dbraw/zinc/06/62/66/445066266.db2.gz BVSGVJKBTDCFKG-QWHCGFSZSA-N 1 0 348.403 1.266 20 5 EDBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000344744913 445138799 /nfs/dbraw/zinc/13/87/99/445138799.db2.gz DLYYNDWAHXSZLW-UHFFFAOYSA-N 1 0 337.424 1.031 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000330721963 445111976 /nfs/dbraw/zinc/11/19/76/445111976.db2.gz HJEVCMDPDSHQIP-UHFFFAOYSA-N 1 0 336.392 1.481 20 5 EDBDRO Cn1cc(C(=O)NCC[NH+]2CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000337586280 445152271 /nfs/dbraw/zinc/15/22/71/445152271.db2.gz LAEXRQRTZBQNGB-UHFFFAOYSA-N 1 0 329.360 1.431 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)CC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000330831418 445158276 /nfs/dbraw/zinc/15/82/76/445158276.db2.gz YATRIMBXUIWSSM-UHFFFAOYSA-N 1 0 327.406 1.620 20 5 EDBDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000342078444 445159795 /nfs/dbraw/zinc/15/97/95/445159795.db2.gz GOUXVOWSOGPIKP-XJKSGUPXSA-N 1 0 346.387 1.801 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000345879019 445201011 /nfs/dbraw/zinc/20/10/11/445201011.db2.gz HBFYWMFKJRYKLK-TUAOUCFPSA-N 1 0 334.376 1.426 20 5 EDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1 ZINC000346921078 445227843 /nfs/dbraw/zinc/22/78/43/445227843.db2.gz JZFRTVSWBSNDQD-DFBGVHRSSA-N 1 0 343.387 1.590 20 5 EDBDRO C[C@@H]1[C@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343455729 445226180 /nfs/dbraw/zinc/22/61/80/445226180.db2.gz JQSNKNJZBXHVKB-MWLCHTKSSA-N 1 0 328.394 1.137 20 5 EDBDRO CN1CC[NH+](CCCNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347399590 445237249 /nfs/dbraw/zinc/23/72/49/445237249.db2.gz LQZSWTWXTJWEHY-UHFFFAOYSA-N 1 0 330.392 1.587 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCC[C@H]2CCCO)cc1 ZINC000343527603 445238834 /nfs/dbraw/zinc/23/88/34/445238834.db2.gz KRKBECXIRWDLGR-ZDUSSCGKSA-N 1 0 342.417 1.605 20 5 EDBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000343567628 445245493 /nfs/dbraw/zinc/24/54/93/445245493.db2.gz JNGMOVRVMKUCIE-CQSZACIVSA-N 1 0 349.387 1.986 20 5 EDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000348179695 445306819 /nfs/dbraw/zinc/30/68/19/445306819.db2.gz GPTNABFQHKILGA-CMPLNLGQSA-N 1 0 325.340 1.747 20 5 EDBDRO CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000348180936 445307485 /nfs/dbraw/zinc/30/74/85/445307485.db2.gz MXVIHXVSGNFYCA-MRXNPFEDSA-N 1 0 344.415 1.652 20 5 EDBDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000348527159 445315057 /nfs/dbraw/zinc/31/50/57/445315057.db2.gz HWGAOOZXKRLWAQ-JQWIXIFHSA-N 1 0 345.359 1.731 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000348144824 445288376 /nfs/dbraw/zinc/28/83/76/445288376.db2.gz RAPRZLXAETZHLG-VXGBXAGGSA-N 1 0 337.376 1.947 20 5 EDBDRO C[NH+](C)CCOC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000351893802 445359995 /nfs/dbraw/zinc/35/99/95/445359995.db2.gz LDCOACKYPOGITP-UHFFFAOYSA-N 1 0 339.367 1.917 20 5 EDBDRO CNC(=O)c1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1 ZINC000348922597 445441619 /nfs/dbraw/zinc/44/16/19/445441619.db2.gz RANDCARNIXLKTJ-UHFFFAOYSA-N 1 0 328.372 1.920 20 5 EDBDRO COc1ccc(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000362633032 445471494 /nfs/dbraw/zinc/47/14/94/445471494.db2.gz CZPBSPWIDJARKX-UHFFFAOYSA-N 1 0 328.328 1.896 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2C[C@@H]2C2CC[NH2+]CC2)cc1 ZINC000360001484 445521761 /nfs/dbraw/zinc/52/17/61/445521761.db2.gz PLVKLSDEMSSWFZ-KGLIPLIRSA-N 1 0 325.390 1.261 20 5 EDBDRO O=C(CN1CCOCC2(CC2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000360098481 445565028 /nfs/dbraw/zinc/56/50/28/445565028.db2.gz OQPBPMVYOSLXHD-UHFFFAOYSA-N 1 0 349.343 1.374 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000356097752 445619617 /nfs/dbraw/zinc/61/96/17/445619617.db2.gz PLNWBDQVCQCRBX-ZDUSSCGKSA-N 1 0 335.339 1.500 20 5 EDBDRO COc1cc(OCC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000363035635 445656451 /nfs/dbraw/zinc/65/64/51/445656451.db2.gz RJCMBGOHDNEEDO-OLZOCXBDSA-N 1 0 349.387 1.725 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2(CO)Cc3ccccc3C2)c1 ZINC000363164376 445703628 /nfs/dbraw/zinc/70/36/28/445703628.db2.gz MRXGLJUAFFQXNE-QGZVFWFLSA-N 1 0 328.368 1.748 20 5 EDBDRO CC1=CC[N@H+](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000349976884 445739743 /nfs/dbraw/zinc/73/97/43/445739743.db2.gz XMNIITWNONTBTO-UHFFFAOYSA-N 1 0 347.371 1.748 20 5 EDBDRO C[NH+](C)CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000353800971 445761671 /nfs/dbraw/zinc/76/16/71/445761671.db2.gz HSNDRFZTBAZHAE-UHFFFAOYSA-N 1 0 339.367 1.917 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000363405749 445791000 /nfs/dbraw/zinc/79/10/00/445791000.db2.gz UBEIOSPGSCDIFZ-MNOVXSKESA-N 1 0 345.446 1.904 20 5 EDBDRO CN(C)C(=O)CC[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000353995619 445845313 /nfs/dbraw/zinc/84/53/13/445845313.db2.gz KILKRMIFOCTZNJ-ALCCZGGFSA-N 1 0 346.431 1.704 20 5 EDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000354020799 445858808 /nfs/dbraw/zinc/85/88/08/445858808.db2.gz UUKWUEZJFACWDL-GFCCVEGCSA-N 1 0 344.375 1.342 20 5 EDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])nn1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000356736047 445977856 /nfs/dbraw/zinc/97/78/56/445977856.db2.gz ACVVXHMLVVUQNP-NWDGAFQWSA-N 1 0 335.408 1.711 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)ccc1[N+](=O)[O-] ZINC000373053367 445996202 /nfs/dbraw/zinc/99/62/02/445996202.db2.gz SRJLKGKXGKHREL-YPMHNXCESA-N 1 0 335.360 1.193 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000366117640 446024178 /nfs/dbraw/zinc/02/41/78/446024178.db2.gz FKZPNPCWDDPQTB-GFCCVEGCSA-N 1 0 334.376 1.315 20 5 EDBDRO CCNC(=O)N1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000583079698 325994976 /nfs/dbraw/zinc/99/49/76/325994976.db2.gz GUOPMUFTROIKJW-GFCCVEGCSA-N 1 0 349.391 1.317 20 5 EDBDRO CC(C)[NH2+]CCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000583563764 326096741 /nfs/dbraw/zinc/09/67/41/326096741.db2.gz ZLKWCGCRYBDWQI-UHFFFAOYSA-N 1 0 331.376 1.898 20 5 EDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000583677943 326115157 /nfs/dbraw/zinc/11/51/57/326115157.db2.gz BTURBTWSIWBDTM-CMPLNLGQSA-N 1 0 335.360 1.247 20 5 EDBDRO COCCC1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000584227640 326224509 /nfs/dbraw/zinc/22/45/09/326224509.db2.gz ZOLQRQFVEAXHOU-UHFFFAOYSA-N 1 0 342.417 1.775 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@H]12 ZINC000351501976 446107281 /nfs/dbraw/zinc/10/72/81/446107281.db2.gz YPOIPVRPFBUUON-FPMFFAJLSA-N 1 0 329.360 1.814 20 5 EDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000362024280 446161037 /nfs/dbraw/zinc/16/10/37/446161037.db2.gz JJFTZCMWIXKHQZ-LSDHHAIUSA-N 1 0 337.376 1.341 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000366368943 446176232 /nfs/dbraw/zinc/17/62/32/446176232.db2.gz NJUHHHWWWMNKKR-CYBMUJFWSA-N 1 0 325.390 1.324 20 5 EDBDRO Cn1cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000359394761 446196816 /nfs/dbraw/zinc/19/68/16/446196816.db2.gz REEFSXPEEUBLHP-BETUJISGSA-N 1 0 341.371 1.287 20 5 EDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)c([N+](=O)[O-])c1 ZINC000365497262 446231542 /nfs/dbraw/zinc/23/15/42/446231542.db2.gz WZFLRNHRIXIECA-CQSZACIVSA-N 1 0 336.348 1.456 20 5 EDBDRO Cn1ccnc1[C@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000374355428 446365028 /nfs/dbraw/zinc/36/50/28/446365028.db2.gz XZADEJUJPUCKOE-NSHDSACASA-N 1 0 336.373 1.507 20 5 EDBDRO C[NH+]1CCC(CC(=O)N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000365859045 446373522 /nfs/dbraw/zinc/37/35/22/446373522.db2.gz XBTMHWYCJVBYNR-AWEZNQCLSA-N 1 0 335.408 1.687 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000374786287 446392965 /nfs/dbraw/zinc/39/29/65/446392965.db2.gz YTICLMRZNVHCKB-GXTWGEPZSA-N 1 0 348.403 1.408 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000420262671 446438998 /nfs/dbraw/zinc/43/89/98/446438998.db2.gz AZXRIPANZBKNBZ-STQMWFEESA-N 1 0 348.403 1.911 20 5 EDBDRO CCc1ccccc1[C@@H]([NH3+])CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000420265885 446440678 /nfs/dbraw/zinc/44/06/78/446440678.db2.gz BXEDIHLAIGZHAV-ZDUSSCGKSA-N 1 0 326.360 2.312 20 5 EDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000420281732 446448600 /nfs/dbraw/zinc/44/86/00/446448600.db2.gz MMVMRSYLICFNRP-RKDXNWHRSA-N 1 0 333.435 1.989 20 5 EDBDRO NC(=O)c1ccc(C[NH+]2CCC(c3cn[nH]c3)CC2)c([N+](=O)[O-])c1 ZINC000370752062 446416650 /nfs/dbraw/zinc/41/66/50/446416650.db2.gz BAWLLNWJEAEXIB-UHFFFAOYSA-N 1 0 329.360 1.796 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]12 ZINC000420311361 446475519 /nfs/dbraw/zinc/47/55/19/446475519.db2.gz QYVMDKNSJFIHNI-SUZMYJTESA-N 1 0 338.795 1.856 20 5 EDBDRO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000367030869 446476537 /nfs/dbraw/zinc/47/65/37/446476537.db2.gz SDVYITMDOUQMPO-GXTWGEPZSA-N 1 0 346.387 1.524 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000411351272 446503393 /nfs/dbraw/zinc/50/33/93/446503393.db2.gz FXVWWHWDXWZVCV-DGCLKSJQSA-N 1 0 334.376 1.441 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000420439652 446615497 /nfs/dbraw/zinc/61/54/97/446615497.db2.gz BLLGQLNYKBHTFW-QWHCGFSZSA-N 1 0 341.433 1.960 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc([N+](=O)[O-])c1 ZINC000423632201 446617202 /nfs/dbraw/zinc/61/72/02/446617202.db2.gz IUJSOWPMRUBKKP-ISTVAULSSA-N 1 0 335.360 1.498 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420415518 446589162 /nfs/dbraw/zinc/58/91/62/446589162.db2.gz AXIUPFHPIHPFJY-KBPBESRZSA-N 1 0 339.417 1.008 20 5 EDBDRO [NH3+][C@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000420419892 446593931 /nfs/dbraw/zinc/59/39/31/446593931.db2.gz MYZSXEMYESAIRQ-MRXNPFEDSA-N 1 0 349.412 1.757 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000420424621 446599201 /nfs/dbraw/zinc/59/92/01/446599201.db2.gz SRFAMLHBARNLMW-ZDUSSCGKSA-N 1 0 341.433 1.446 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000420426342 446600887 /nfs/dbraw/zinc/60/08/87/446600887.db2.gz UQUFNHMZUBZKSS-ZDUSSCGKSA-N 1 0 327.406 1.569 20 5 EDBDRO Cc1c(NC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000411680228 446644903 /nfs/dbraw/zinc/64/49/03/446644903.db2.gz XKIDJKJNBLKKCS-ZDUSSCGKSA-N 1 0 348.403 1.690 20 5 EDBDRO COC(=O)CC[C@H]([NH3+])C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423718095 446658219 /nfs/dbraw/zinc/65/82/19/446658219.db2.gz BUDOFKMDNHFNDI-ZDUSSCGKSA-N 1 0 335.360 1.366 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)c1 ZINC000420446981 446623080 /nfs/dbraw/zinc/62/30/80/446623080.db2.gz INDXMFFCXOGBJK-CYBMUJFWSA-N 1 0 329.422 1.863 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)c1[N+](=O)[O-] ZINC000420450337 446626586 /nfs/dbraw/zinc/62/65/86/446626586.db2.gz PFEYRFDLBOSQIF-LLVKDONJSA-N 1 0 329.422 1.863 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@@H](C)C1 ZINC000371110515 446633710 /nfs/dbraw/zinc/63/37/10/446633710.db2.gz ZDXBFHOZXONVCH-LBPRGKRZSA-N 1 0 337.376 1.900 20 5 EDBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000411923283 446732988 /nfs/dbraw/zinc/73/29/88/446732988.db2.gz NJAQILLTMHGZFQ-RYUDHWBXSA-N 1 0 326.349 1.064 20 5 EDBDRO O=C1C[C@H]([C@H]2CCCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)CN1 ZINC000371298005 446754844 /nfs/dbraw/zinc/75/48/44/446754844.db2.gz QFLFHZQYXZOPSD-XJKSGUPXSA-N 1 0 333.388 1.964 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000420757840 446796653 /nfs/dbraw/zinc/79/66/53/446796653.db2.gz BZVKNJSMVFPXJY-LLVKDONJSA-N 1 0 331.369 1.449 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420786274 446819733 /nfs/dbraw/zinc/81/97/33/446819733.db2.gz VGFPHBGSGCLAJJ-AWEZNQCLSA-N 1 0 336.392 1.839 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c1 ZINC000375473292 446827379 /nfs/dbraw/zinc/82/73/79/446827379.db2.gz QEWXVKQUSGROMH-OKZBNKHCSA-N 1 0 349.431 1.861 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000371360850 446804282 /nfs/dbraw/zinc/80/42/82/446804282.db2.gz KODYURKSCQVKQT-UHFFFAOYSA-N 1 0 335.408 1.577 20 5 EDBDRO Cc1nc(N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000371461543 446872093 /nfs/dbraw/zinc/87/20/93/446872093.db2.gz YPPITSGXOMWXSB-CYBMUJFWSA-N 1 0 333.436 1.903 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)c1F ZINC000412238571 446908109 /nfs/dbraw/zinc/90/81/09/446908109.db2.gz AOOPSHMEDKXTTL-ZYHUDNBSSA-N 1 0 339.367 1.884 20 5 EDBDRO CC(C)Oc1cc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000412245293 446909519 /nfs/dbraw/zinc/90/95/19/446909519.db2.gz HQUHTUSAELQKSW-MRXNPFEDSA-N 1 0 337.376 1.178 20 5 EDBDRO CC1(C)CCC[N@H+](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000442580657 446910081 /nfs/dbraw/zinc/91/00/81/446910081.db2.gz QILLTVVBKWZXIC-UHFFFAOYSA-N 1 0 348.403 1.772 20 5 EDBDRO CNC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000420973225 446942804 /nfs/dbraw/zinc/94/28/04/446942804.db2.gz LBKJJUZSARMPBF-LBPRGKRZSA-N 1 0 334.376 1.300 20 5 EDBDRO C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC000419151167 446967387 /nfs/dbraw/zinc/96/73/87/446967387.db2.gz NGCIURSDSOKVSN-XQQFMLRXSA-N 1 0 346.387 1.125 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000377197134 446985570 /nfs/dbraw/zinc/98/55/70/446985570.db2.gz PGZVXZYYMBHOJW-BZUAXINKSA-N 1 0 336.388 1.965 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc([N+](=O)[O-])c1F ZINC000368636932 446996297 /nfs/dbraw/zinc/99/62/97/446996297.db2.gz JDYFVLIDPGAVIA-PWSUYJOCSA-N 1 0 343.380 1.415 20 5 EDBDRO COc1cc(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)ccc1[N+](=O)[O-] ZINC000375723205 447001845 /nfs/dbraw/zinc/00/18/45/447001845.db2.gz DFKJYCAEWXMNLC-RTCCRHLQSA-N 1 0 341.389 1.246 20 5 EDBDRO C[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000419270958 447046329 /nfs/dbraw/zinc/04/63/29/447046329.db2.gz OAMHXZFJGYXHMG-LBPRGKRZSA-N 1 0 348.403 1.291 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000444388776 447101042 /nfs/dbraw/zinc/10/10/42/447101042.db2.gz YZGANHXOMRYYPT-NSHDSACASA-N 1 0 336.392 1.215 20 5 EDBDRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000377477751 447151216 /nfs/dbraw/zinc/15/12/16/447151216.db2.gz OGBJXIVXDXNDOH-DZGCQCFKSA-N 1 0 346.387 1.068 20 5 EDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000421403281 447152600 /nfs/dbraw/zinc/15/26/00/447152600.db2.gz XAGNGOHYBXTHRA-UQTJOTSZSA-N 1 0 328.376 1.979 20 5 EDBDRO Cc1noc(C)c1CO[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000368847741 447156996 /nfs/dbraw/zinc/15/69/96/447156996.db2.gz ZXPIYVSOFHPISR-CQSZACIVSA-N 1 0 335.364 1.687 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](c3nnc[nH]3)C2)cccc1[N+](=O)[O-] ZINC000425549835 447226506 /nfs/dbraw/zinc/22/65/06/447226506.db2.gz OHLPXWAAQKYREK-LBPRGKRZSA-N 1 0 344.375 1.839 20 5 EDBDRO O=C(C[NH2+][C@@H]1CCO[C@H]1C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000372806080 447292960 /nfs/dbraw/zinc/29/29/60/447292960.db2.gz PBOJIALUKPBQSH-PBHICJAKSA-N 1 0 331.372 1.641 20 5 EDBDRO CCCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC[NH2+]CC1 ZINC000415498466 447480771 /nfs/dbraw/zinc/48/07/71/447480771.db2.gz JLUYKGOTDKDJHD-UHFFFAOYSA-N 1 0 348.403 1.832 20 5 EDBDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000415506257 447485502 /nfs/dbraw/zinc/48/55/02/447485502.db2.gz ZOGHTTWOPBETAS-LLVKDONJSA-N 1 0 338.364 1.176 20 5 EDBDRO C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N(C)Cc1ccccc1 ZINC000390633260 447496746 /nfs/dbraw/zinc/49/67/46/447496746.db2.gz AYCHVQDYEHIZAA-PBHICJAKSA-N 1 0 347.419 1.262 20 5 EDBDRO O=[N+]([O-])c1cc2ccccc2nc1NC[C@H]1CCC[N@H+]1CCCO ZINC000450600300 447536591 /nfs/dbraw/zinc/53/65/91/447536591.db2.gz VLLSAMINLLBDCD-CQSZACIVSA-N 1 0 330.388 2.402 20 5 EDBDRO COc1cc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000420044074 447564681 /nfs/dbraw/zinc/56/46/81/447564681.db2.gz PDWSRGGUUOKQFA-HNNXBMFYSA-N 1 0 325.365 1.036 20 5 EDBDRO CN(CC(=O)N1CC[NH2+]CC1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000420155632 447643322 /nfs/dbraw/zinc/64/33/22/447643322.db2.gz UPMAFJMEMWFSMO-UHFFFAOYSA-N 1 0 344.318 1.064 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000416493836 447624750 /nfs/dbraw/zinc/62/47/50/447624750.db2.gz GOZKGUNVIIIMPT-GFCCVEGCSA-N 1 0 327.406 1.442 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000451023830 447654069 /nfs/dbraw/zinc/65/40/69/447654069.db2.gz GKJVMPGWZOANQQ-UHFFFAOYSA-N 1 0 326.356 1.941 20 5 EDBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC[C@H]1CCC[NH2+]C1 ZINC000420177148 447656939 /nfs/dbraw/zinc/65/69/39/447656939.db2.gz RQKSXWZTTSKYAL-HNNXBMFYSA-N 1 0 334.420 1.839 20 5 EDBDRO [NH3+]C[C@@H]1CCC[C@H]1Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000420185778 447660377 /nfs/dbraw/zinc/66/03/77/447660377.db2.gz ACLWDOBYJHIPAN-UONOGXRCSA-N 1 0 348.403 1.607 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000428524949 447707933 /nfs/dbraw/zinc/70/79/33/447707933.db2.gz XSZRVYBJRKTXOU-NWDGAFQWSA-N 1 0 338.412 1.025 20 5 EDBDRO Cc1nn(CCC(=O)N2c3ccccc3C[C@@H]2C[NH3+])c(C)c1[N+](=O)[O-] ZINC000422629255 447677805 /nfs/dbraw/zinc/67/78/05/447677805.db2.gz WPARUEWHIMDKRU-CQSZACIVSA-N 1 0 343.387 1.715 20 5 EDBDRO C[C@H](CC[NH3+])Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000420226091 447678092 /nfs/dbraw/zinc/67/80/92/447678092.db2.gz KMIJFMINEOAMNT-SECBINFHSA-N 1 0 337.767 1.943 20 5 EDBDRO CC1(C)CCC[NH2+][C@@H]1CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000420234737 447681218 /nfs/dbraw/zinc/68/12/18/447681218.db2.gz BNAXGHAQNCRPJT-CYBMUJFWSA-N 1 0 342.421 1.432 20 5 EDBDRO Cc1cc(N2CCO[C@@H](C[NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420237001 447681277 /nfs/dbraw/zinc/68/12/77/447681277.db2.gz JJMQNYCJGYIKOS-AWEZNQCLSA-N 1 0 329.360 1.524 20 5 EDBDRO O=C(CC[N@H+]1CC[C@](O)(C(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451432315 447732333 /nfs/dbraw/zinc/73/23/33/447732333.db2.gz OMWDGSZDHNQDNP-CQSZACIVSA-N 1 0 329.303 1.625 20 5 EDBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000458223574 447748239 /nfs/dbraw/zinc/74/82/39/447748239.db2.gz RIXVDYZIPHPZJR-LLVKDONJSA-N 1 0 335.360 1.785 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000422787464 447750011 /nfs/dbraw/zinc/75/00/11/447750011.db2.gz MCUHAJHUDYPBCF-SNVBAGLBSA-N 1 0 335.360 1.581 20 5 EDBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3c[nH]nc3[N+](=O)[O-])cccc21 ZINC000549371762 447873595 /nfs/dbraw/zinc/87/35/95/447873595.db2.gz MLGFLJAWNQJKNG-LBPRGKRZSA-N 1 0 331.332 1.955 20 5 EDBDRO C[C@H]1C[C@@H](Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC[N@@H+]1C ZINC000524688766 447940673 /nfs/dbraw/zinc/94/06/73/447940673.db2.gz HTLPALCSSPNRLC-UWVGGRQHSA-N 1 0 328.394 1.137 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[N@@H+]1C1CC1 ZINC000530767563 447952581 /nfs/dbraw/zinc/95/25/81/447952581.db2.gz QGENBSLUEMYRHA-GHMZBOCLSA-N 1 0 347.371 1.721 20 5 EDBDRO CNc1nccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000575933701 447932966 /nfs/dbraw/zinc/93/29/66/447932966.db2.gz SODAPIPMONDXMY-YPMHNXCESA-N 1 0 333.392 1.588 20 5 EDBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000576085364 447966292 /nfs/dbraw/zinc/96/62/92/447966292.db2.gz KVBADPBQTQEQMM-ZDUSSCGKSA-N 1 0 336.392 1.839 20 5 EDBDRO C[NH2+][C@@H](C)C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000570224790 447968127 /nfs/dbraw/zinc/96/81/27/447968127.db2.gz GKNGQFOHUOUWEN-AAEUAGOBSA-N 1 0 337.376 1.702 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCc3c[nH]nc3C2)c1 ZINC000576101379 447972181 /nfs/dbraw/zinc/97/21/81/447972181.db2.gz RQYAJWGUIZVWCG-GXTWGEPZSA-N 1 0 332.360 1.205 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCc3c[nH]nc3C2)c1 ZINC000576101380 447972258 /nfs/dbraw/zinc/97/22/58/447972258.db2.gz RQYAJWGUIZVWCG-JSGCOSHPSA-N 1 0 332.360 1.205 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(Cl)cc2F)c1 ZINC000570274392 447973991 /nfs/dbraw/zinc/97/39/91/447973991.db2.gz RXULPKKINSXIRJ-GFCCVEGCSA-N 1 0 328.731 1.735 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000525819280 448032353 /nfs/dbraw/zinc/03/23/53/448032353.db2.gz ONQURDRUSOSTKE-NSHDSACASA-N 1 0 343.405 1.224 20 5 EDBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000507504298 448143627 /nfs/dbraw/zinc/14/36/27/448143627.db2.gz ITZZNSDYOZKHKB-YPMHNXCESA-N 1 0 329.360 1.883 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000531823626 448153156 /nfs/dbraw/zinc/15/31/56/448153156.db2.gz KJKSTQQFXCUAPP-BXKDBHETSA-N 1 0 333.344 1.536 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])C1CCCCC1 ZINC000514739425 448198117 /nfs/dbraw/zinc/19/81/17/448198117.db2.gz ZROGLXAFKPBLOJ-ZDUSSCGKSA-N 1 0 335.408 1.812 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000591011388 448230625 /nfs/dbraw/zinc/23/06/25/448230625.db2.gz HPFBKPITUIRUGL-LBPRGKRZSA-N 1 0 334.376 1.361 20 5 EDBDRO O=C(NC1CC1)c1ccc(N2CC[C@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC000591436560 448362733 /nfs/dbraw/zinc/36/27/33/448362733.db2.gz BTYWCZRSKJREBD-RISCZKNCSA-N 1 0 330.388 1.675 20 5 EDBDRO COCC[NH2+]C1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000516190778 448395545 /nfs/dbraw/zinc/39/55/45/448395545.db2.gz MVUMGTIKQNUXFW-UHFFFAOYSA-N 1 0 337.376 1.444 20 5 EDBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000577844126 448400474 /nfs/dbraw/zinc/40/04/74/448400474.db2.gz CHHNUXXDJLCQMQ-AWEZNQCLSA-N 1 0 347.419 1.620 20 5 EDBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000591686220 448450649 /nfs/dbraw/zinc/45/06/49/448450649.db2.gz URARBSNZRRTRKZ-OAHLLOKOSA-N 1 0 341.371 1.652 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000591735094 448476215 /nfs/dbraw/zinc/47/62/15/448476215.db2.gz RLTNSIAKWCXBBE-HUUCEWRRSA-N 1 0 335.404 1.408 20 5 EDBDRO NC(=O)c1coc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000584331015 448484892 /nfs/dbraw/zinc/48/48/92/448484892.db2.gz VTGYDBRFKCXDED-CHWSQXEVSA-N 1 0 333.348 1.757 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)NCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000566551756 448504943 /nfs/dbraw/zinc/50/49/43/448504943.db2.gz NQYZAPQFBGNKMU-LBPRGKRZSA-N 1 0 348.403 1.196 20 5 EDBDRO CCc1ccc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000517144996 448543840 /nfs/dbraw/zinc/54/38/40/448543840.db2.gz SAYXVNMLSDFOFY-ZDUSSCGKSA-N 1 0 339.417 1.672 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184312 448727386 /nfs/dbraw/zinc/72/73/86/448727386.db2.gz JBUZGKKNHQOPHS-UHFFFAOYSA-N 1 0 335.404 1.900 20 5 EDBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000592187008 448728700 /nfs/dbraw/zinc/72/87/00/448728700.db2.gz VBDXOGFALWOZPW-WBMJQRKESA-N 1 0 333.388 1.963 20 5 EDBDRO O=C(CN1CC[NH2+]C[C@@H]1C(F)F)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000519156693 448747111 /nfs/dbraw/zinc/74/71/11/448747111.db2.gz FFLQVZPJLKCMBU-LLVKDONJSA-N 1 0 348.737 1.726 20 5 EDBDRO Cc1ccc(-c2nn(C)cc2C[NH2+]CCn2cc([N+](=O)[O-])cn2)o1 ZINC000592365977 448806543 /nfs/dbraw/zinc/80/65/43/448806543.db2.gz NGSJVNHGQADHRG-UHFFFAOYSA-N 1 0 330.348 1.883 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000574168711 448808181 /nfs/dbraw/zinc/80/81/81/448808181.db2.gz BRUJKSQICVKKLK-IUCAKERBSA-N 1 0 347.368 1.243 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(C)([NH3+])CC1 ZINC000592380207 448812661 /nfs/dbraw/zinc/81/26/61/448812661.db2.gz SGBPOJIEFWVVJW-UHFFFAOYSA-N 1 0 329.378 1.105 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000592380326 448812770 /nfs/dbraw/zinc/81/27/70/448812770.db2.gz RNYCZBBHVOOOQC-GFCCVEGCSA-N 1 0 343.405 1.222 20 5 EDBDRO CCc1ccc(S(=O)(=O)NC2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000579348302 448772518 /nfs/dbraw/zinc/77/25/18/448772518.db2.gz ANYTXJPYRQFHOS-UHFFFAOYSA-N 1 0 341.433 1.920 20 5 EDBDRO CC[NH2+]CCCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000592290221 448775712 /nfs/dbraw/zinc/77/57/12/448775712.db2.gz ZFSUHLFRQNJIHE-UHFFFAOYSA-N 1 0 331.376 1.725 20 5 EDBDRO CC(C)[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000592380996 448813704 /nfs/dbraw/zinc/81/37/04/448813704.db2.gz YGUKLEMUFQFPSK-CQSZACIVSA-N 1 0 327.406 1.354 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC[C@H]1[NH3+] ZINC000592382152 448814836 /nfs/dbraw/zinc/81/48/36/448814836.db2.gz KHEBPIHBGCSUJL-QWHCGFSZSA-N 1 0 341.433 1.960 20 5 EDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000592442328 448839018 /nfs/dbraw/zinc/83/90/18/448839018.db2.gz MQRQSFRNBFZDSD-NEPJUHHUSA-N 1 0 348.403 1.328 20 5 EDBDRO Cc1csc([C@H](C)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000519819358 448851255 /nfs/dbraw/zinc/85/12/55/448851255.db2.gz DAHKDFCZVSMQHT-BXKDBHETSA-N 1 0 325.394 1.310 20 5 EDBDRO COC1CC[NH+](CCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000587993777 448852313 /nfs/dbraw/zinc/85/23/13/448852313.db2.gz NYAOUEPZVGRXEF-UHFFFAOYSA-N 1 0 347.375 1.766 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCO1 ZINC000592475549 448852907 /nfs/dbraw/zinc/85/29/07/448852907.db2.gz MVTSWSDWQOYJRP-MFKMUULPSA-N 1 0 333.348 1.193 20 5 EDBDRO COc1ccc(CCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000568468624 448874086 /nfs/dbraw/zinc/87/40/86/448874086.db2.gz FCJFQYBBXKJVED-HNNXBMFYSA-N 1 0 334.376 1.383 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC1CCN(CC(F)F)CC1 ZINC000574532280 448897341 /nfs/dbraw/zinc/89/73/41/448897341.db2.gz WWQBRBIBPCZTOT-UHFFFAOYSA-N 1 0 330.335 1.640 20 5 EDBDRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1(C)C ZINC000592562092 448901688 /nfs/dbraw/zinc/90/16/88/448901688.db2.gz CZUSUERAPLVCJW-RHSMWYFYSA-N 1 0 348.403 1.407 20 5 EDBDRO Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000579891801 448903046 /nfs/dbraw/zinc/90/30/46/448903046.db2.gz HUONUQXIYOHJDQ-YPMHNXCESA-N 1 0 334.376 1.727 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1cccs1 ZINC000547728687 448919663 /nfs/dbraw/zinc/91/96/63/448919663.db2.gz UEKFEZVTHMIEOZ-JTQLQIEISA-N 1 0 335.389 1.666 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000520824160 448934287 /nfs/dbraw/zinc/93/42/87/448934287.db2.gz PQNIPNFTZQSOIX-NSHDSACASA-N 1 0 335.360 1.438 20 5 EDBDRO C[C@@H]1[C@H](C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC[N@@H+]1C ZINC000592766216 448978247 /nfs/dbraw/zinc/97/82/47/448978247.db2.gz YOQULZWJPPIWJP-YRGRVCCFSA-N 1 0 333.392 1.343 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000521566005 448994885 /nfs/dbraw/zinc/99/48/85/448994885.db2.gz IOEIJDLESKOJEP-NSHDSACASA-N 1 0 335.360 1.785 20 5 EDBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000574988144 449007025 /nfs/dbraw/zinc/00/70/25/449007025.db2.gz LWXIEJCZOCWUNI-WBVHZDCISA-N 1 0 347.415 1.882 20 5 EDBDRO CC(C)Oc1nc(NC[C@H]2CCCC[N@@H+]2CCO)ccc1[N+](=O)[O-] ZINC000582132512 449020754 /nfs/dbraw/zinc/02/07/54/449020754.db2.gz OTKULDJCLMSADX-CYBMUJFWSA-N 1 0 338.408 2.036 20 5 EDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595608383 449076301 /nfs/dbraw/zinc/07/63/01/449076301.db2.gz OSLPOOWMFRFMGS-CHWSQXEVSA-N 1 0 344.375 1.535 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000575344318 449083035 /nfs/dbraw/zinc/08/30/35/449083035.db2.gz YKXNTZIEXAPXTJ-ZDUSSCGKSA-N 1 0 348.403 1.608 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000589930011 449084008 /nfs/dbraw/zinc/08/40/08/449084008.db2.gz RDPGJMDYRCNUIX-BXKDBHETSA-N 1 0 345.808 1.573 20 5 EDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593600097 449100185 /nfs/dbraw/zinc/10/01/85/449100185.db2.gz ZNLSTABLSBFAFX-AAEUAGOBSA-N 1 0 340.405 1.237 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599890336 449101064 /nfs/dbraw/zinc/10/10/64/449101064.db2.gz GKVFQPADJBFLCG-CYBMUJFWSA-N 1 0 346.387 1.551 20 5 EDBDRO COC[C@@](C)(CCO)[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593015799 449103776 /nfs/dbraw/zinc/10/37/76/449103776.db2.gz ZQRZIQQQKIMKPW-OAHLLOKOSA-N 1 0 326.349 1.259 20 5 EDBDRO CC[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000603957522 449164029 /nfs/dbraw/zinc/16/40/29/449164029.db2.gz QTZLGMVHDLAJLN-UHFFFAOYSA-N 1 0 331.369 1.497 20 5 EDBDRO O=C1[C@H]([NH2+][C@@H]2C[C@@H](O)C23CCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595786104 449165011 /nfs/dbraw/zinc/16/50/11/449165011.db2.gz ZVVDCPDMUZSCCH-RBSFLKMASA-N 1 0 331.372 1.593 20 5 EDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C[C@H]21 ZINC000599988597 449139508 /nfs/dbraw/zinc/13/95/08/449139508.db2.gz JJRWKJSVECAVOV-HALDLXJZSA-N 1 0 344.415 1.827 20 5 EDBDRO Cc1nn(CCC(=O)N2CCC3(C2)CC[NH+](C)CC3)c(C)c1[N+](=O)[O-] ZINC000590376077 449140063 /nfs/dbraw/zinc/14/00/63/449140063.db2.gz UKHIJQYWVILDIR-UHFFFAOYSA-N 1 0 349.435 1.743 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000590402810 449149951 /nfs/dbraw/zinc/14/99/51/449149951.db2.gz HHOHWWRFKGVNCE-NHYWBVRUSA-N 1 0 349.387 1.936 20 5 EDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000590589492 449205639 /nfs/dbraw/zinc/20/56/39/449205639.db2.gz OPFGONWRHQNAOX-SWLSCSKDSA-N 1 0 341.433 1.492 20 5 EDBDRO C[NH+]1CCC2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2)CC1 ZINC000590547763 449183348 /nfs/dbraw/zinc/18/33/48/449183348.db2.gz CIJVYYDKRLNBFQ-UHFFFAOYSA-N 1 0 336.367 1.874 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000593765301 449186679 /nfs/dbraw/zinc/18/66/79/449186679.db2.gz LYTWUSHNUKERKQ-UHFFFAOYSA-N 1 0 348.403 1.602 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000595919066 449253139 /nfs/dbraw/zinc/25/31/39/449253139.db2.gz GDWUCQUBFRILGD-JTQLQIEISA-N 1 0 345.359 1.333 20 5 EDBDRO CC(C)[C@H]([NH3+])CCNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000595990551 449300609 /nfs/dbraw/zinc/30/06/09/449300609.db2.gz XPDILBOKNPQMQJ-SMDDNHRTSA-N 1 0 336.392 1.203 20 5 EDBDRO O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593905565 449276000 /nfs/dbraw/zinc/27/60/00/449276000.db2.gz HKYCWYDDMLUEFG-CFVMTHIKSA-N 1 0 345.403 1.533 20 5 EDBDRO COc1ccc(NC(=O)c2cn[nH]c2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595951450 449277438 /nfs/dbraw/zinc/27/74/38/449277438.db2.gz LSVJJJHBRMVMME-SECBINFHSA-N 1 0 331.332 1.656 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595951800 449277547 /nfs/dbraw/zinc/27/75/47/449277547.db2.gz RSIHUPYEJMQHII-VXGBXAGGSA-N 1 0 340.428 1.317 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000602018394 449278434 /nfs/dbraw/zinc/27/84/34/449278434.db2.gz ZRSJQEQNGQKYNO-UHFFFAOYSA-N 1 0 336.417 1.166 20 5 EDBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593913896 449282082 /nfs/dbraw/zinc/28/20/82/449282082.db2.gz YFSDEOYPGQRKNI-LZWOXQAQSA-N 1 0 333.388 1.953 20 5 EDBDRO Cc1c(C[NH3+])c(NC(=O)CCOc2ccccc2[N+](=O)[O-])nn1C ZINC000595959113 449282842 /nfs/dbraw/zinc/28/28/42/449282842.db2.gz BGFGTNQEDIAEFG-UHFFFAOYSA-N 1 0 333.348 1.503 20 5 EDBDRO Cc1c(C[NH3+])c(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])nn1C ZINC000595960040 449283377 /nfs/dbraw/zinc/28/33/77/449283377.db2.gz SEIDCVFGZKSCOX-UHFFFAOYSA-N 1 0 332.364 1.170 20 5 EDBDRO Cc1nn(CCC(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c(C)c1[N+](=O)[O-] ZINC000593914502 449283689 /nfs/dbraw/zinc/28/36/89/449283689.db2.gz CSBZOHJMBVVCJW-SMDDNHRTSA-N 1 0 337.424 1.774 20 5 EDBDRO C[N@H+](CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)CC(C)(C)C ZINC000602100739 449345753 /nfs/dbraw/zinc/34/57/53/449345753.db2.gz CTLDMANCSXULLT-ZDUSSCGKSA-N 1 0 349.435 1.981 20 5 EDBDRO COc1cc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000594105439 449356929 /nfs/dbraw/zinc/35/69/29/449356929.db2.gz DQWYCHGJAZLHQU-PHIMTYICSA-N 1 0 337.376 1.682 20 5 EDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000590874693 449330593 /nfs/dbraw/zinc/33/05/93/449330593.db2.gz CDPRXQISNGDDSA-CYBMUJFWSA-N 1 0 343.387 1.912 20 5 EDBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593538374 449333620 /nfs/dbraw/zinc/33/36/20/449333620.db2.gz MEDRFLNPZRZFHA-LLVKDONJSA-N 1 0 328.394 1.000 20 5 EDBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCCC1 ZINC000593544263 449336745 /nfs/dbraw/zinc/33/67/45/449336745.db2.gz OYHFUBDCSARFHO-UHFFFAOYSA-N 1 0 328.394 1.143 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598557991 449464988 /nfs/dbraw/zinc/46/49/88/449464988.db2.gz BCYZGVMBSNHKSE-AWEZNQCLSA-N 1 0 335.408 1.420 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598560412 449465898 /nfs/dbraw/zinc/46/58/98/449465898.db2.gz LIFMPHJNBIZMNA-HNNXBMFYSA-N 1 0 349.435 1.728 20 5 EDBDRO [NH3+]C1(CNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000598663132 449525808 /nfs/dbraw/zinc/52/58/08/449525808.db2.gz SUPDFSWFZZNEBS-UHFFFAOYSA-N 1 0 349.391 1.494 20 5 EDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1ccn(-c3ccccc3[N+](=O)[O-])n1)C2 ZINC000598667806 449529848 /nfs/dbraw/zinc/52/98/48/449529848.db2.gz LKUPITDWEPDQGV-PXAZEXFGSA-N 1 0 341.371 1.734 20 5 EDBDRO Cn1cc(C[NH2+]C[C@@H]2COCCN2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600776920 449543571 /nfs/dbraw/zinc/54/35/71/449543571.db2.gz SUFUFQGLIFIZKS-CQSZACIVSA-N 1 0 331.376 1.073 20 5 EDBDRO C[NH2+]CCOCCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000600712486 449510270 /nfs/dbraw/zinc/51/02/70/449510270.db2.gz XDLFTLREVHQIIM-OAHLLOKOSA-N 1 0 333.392 1.243 20 5 EDBDRO CCOc1cc(CN2CC[N@H+](CCO)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000617225266 449510692 /nfs/dbraw/zinc/51/06/92/449510692.db2.gz PLMKNZCSGRJVIC-UHFFFAOYSA-N 1 0 337.420 1.882 20 5 EDBDRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C2 ZINC000598725774 449564878 /nfs/dbraw/zinc/56/48/78/449564878.db2.gz PGMSILSCTGRHIH-JSGCOSHPSA-N 1 0 325.390 1.238 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594532410 449564928 /nfs/dbraw/zinc/56/49/28/449564928.db2.gz RCEOMJPFRUYNQS-SECBINFHSA-N 1 0 348.281 1.156 20 5 EDBDRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C2 ZINC000598726119 449565568 /nfs/dbraw/zinc/56/55/68/449565568.db2.gz RKFVLTJOQZYCFK-RNCFNFMXSA-N 1 0 329.353 1.236 20 5 EDBDRO CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)[C@@H]1CC[NH2+]C1 ZINC000602429682 449580330 /nfs/dbraw/zinc/58/03/30/449580330.db2.gz RVZCQIQYKXEFMY-LLVKDONJSA-N 1 0 333.323 1.354 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598713932 449559009 /nfs/dbraw/zinc/55/90/09/449559009.db2.gz FCRFOHICRLQDHK-CMPLNLGQSA-N 1 0 327.406 1.488 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598713858 449559018 /nfs/dbraw/zinc/55/90/18/449559018.db2.gz DOUHAEXSIVDYJO-NWDGAFQWSA-N 1 0 327.406 1.569 20 5 EDBDRO COC(=O)COc1ccc(CN2C[C@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598722390 449562687 /nfs/dbraw/zinc/56/26/87/449562687.db2.gz YQSGIAZMGARISC-DYVFJYSZSA-N 1 0 349.387 1.460 20 5 EDBDRO CO[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@](C)(C[NH3+])C1 ZINC000600886985 449586580 /nfs/dbraw/zinc/58/65/80/449586580.db2.gz VITGNCZHFMGZJB-DOMZBBRYSA-N 1 0 339.417 1.652 20 5 EDBDRO CCc1nn(C)c(N2CCC[C@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000594601628 449590445 /nfs/dbraw/zinc/59/04/45/449590445.db2.gz YGUUQWLWHVGVIL-ZDUSSCGKSA-N 1 0 337.424 1.582 20 5 EDBDRO CCc1nn(C)c(N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000600951577 449612292 /nfs/dbraw/zinc/61/22/92/449612292.db2.gz FODNNCAXEJLDOJ-RKDXNWHRSA-N 1 0 335.330 1.854 20 5 EDBDRO C[C@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000594755541 449670357 /nfs/dbraw/zinc/67/03/57/449670357.db2.gz NMBLDUHCGBVDIS-LLVKDONJSA-N 1 0 328.394 1.000 20 5 EDBDRO CC[N@@H+]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000598900513 449636842 /nfs/dbraw/zinc/63/68/42/449636842.db2.gz RIODYFJODSQLAU-LBPRGKRZSA-N 1 0 349.391 1.269 20 5 EDBDRO C[C@@H](Cn1cccn1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602507890 449639464 /nfs/dbraw/zinc/63/94/64/449639464.db2.gz IQUMSAPOEHLUJO-ZDUSSCGKSA-N 1 0 330.392 1.833 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000598915973 449645382 /nfs/dbraw/zinc/64/53/82/449645382.db2.gz RSEMEATYLNEYEX-HUUCEWRRSA-N 1 0 346.387 1.666 20 5 EDBDRO CC(C)C[N@H+](C)CCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594792822 449703505 /nfs/dbraw/zinc/70/35/05/449703505.db2.gz BYHOZAKGNCSUNF-UHFFFAOYSA-N 1 0 330.410 1.246 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000599102495 449734156 /nfs/dbraw/zinc/73/41/56/449734156.db2.gz OKQBDARDXMFXDF-CQSZACIVSA-N 1 0 339.417 1.775 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)n1 ZINC000601177263 449734755 /nfs/dbraw/zinc/73/47/55/449734755.db2.gz SCSJMZGWFUEMLT-AWEZNQCLSA-N 1 0 347.419 1.714 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000602588595 449689782 /nfs/dbraw/zinc/68/97/82/449689782.db2.gz CBXSOQILSKEZPK-PHIMTYICSA-N 1 0 335.360 1.579 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000602817107 449829561 /nfs/dbraw/zinc/82/95/61/449829561.db2.gz SIFSIDPIASWIKX-GJZGRUSLSA-N 1 0 337.424 1.333 20 5 EDBDRO O=C(CN1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000601335683 449844735 /nfs/dbraw/zinc/84/47/35/449844735.db2.gz WXCWWDWMBNYTPF-ZBFHGGJFSA-N 1 0 344.415 1.558 20 5 EDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000601421315 449938999 /nfs/dbraw/zinc/93/89/99/449938999.db2.gz DYMRZFIRTXIBDS-ONGXEEELSA-N 1 0 347.824 1.961 20 5 EDBDRO Cn1cc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000602941402 449943202 /nfs/dbraw/zinc/94/32/02/449943202.db2.gz JZYNEVMMEAYCTI-HNNXBMFYSA-N 1 0 343.387 1.723 20 5 EDBDRO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000615087209 449948578 /nfs/dbraw/zinc/94/85/78/449948578.db2.gz MFPKWBVZSMLDQS-CQSZACIVSA-N 1 0 337.376 1.565 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000599411630 449957438 /nfs/dbraw/zinc/95/74/38/449957438.db2.gz AWOWYTCNLKYZAE-ZDUSSCGKSA-N 1 0 341.433 1.913 20 5 EDBDRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000599415408 449961576 /nfs/dbraw/zinc/96/15/76/449961576.db2.gz OGXSQIAGJGVGNS-CYBMUJFWSA-N 1 0 341.433 1.746 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601455986 449979616 /nfs/dbraw/zinc/97/96/16/449979616.db2.gz YMXWVWHSLYEIKH-UHFFFAOYSA-N 1 0 335.404 1.447 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)n1 ZINC000595266837 449988167 /nfs/dbraw/zinc/98/81/67/449988167.db2.gz ALZKXWUTEKXAGZ-ZIAGYGMSSA-N 1 0 343.387 1.687 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000595353358 450067457 /nfs/dbraw/zinc/06/74/57/450067457.db2.gz GUVRVIUPYKILAM-GFCCVEGCSA-N 1 0 327.406 1.666 20 5 EDBDRO CC(C)[NH2+][C@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000609386068 450022355 /nfs/dbraw/zinc/02/23/55/450022355.db2.gz KEPBJIPLLHTQOC-GOEBONIOSA-N 1 0 337.420 1.797 20 5 EDBDRO CCc1n[nH]c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000609463372 450032178 /nfs/dbraw/zinc/03/21/78/450032178.db2.gz ZGIYJNGORLJKMV-UHFFFAOYSA-N 1 0 330.348 1.238 20 5 EDBDRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3ccc(F)cc3[N+](=O)[O-])CC2)C1 ZINC000595372846 450085466 /nfs/dbraw/zinc/08/54/66/450085466.db2.gz WLHXTKGBZVOFLE-MRXNPFEDSA-N 1 0 336.411 1.946 20 5 EDBDRO C[NH+](C)CCc1cn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)nn1 ZINC000603171876 450110231 /nfs/dbraw/zinc/11/02/31/450110231.db2.gz OUQFXWSFWCBNQI-UHFFFAOYSA-N 1 0 333.348 1.205 20 5 EDBDRO C[C@@H](C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000597624354 450152988 /nfs/dbraw/zinc/15/29/88/450152988.db2.gz HQTBHDMCBUQDDG-CJNGLKHVSA-N 1 0 332.404 1.204 20 5 EDBDRO C[N@@H+]1CCCN(CCCNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000610240658 450157762 /nfs/dbraw/zinc/15/77/62/450157762.db2.gz KCGKZZLDKKURDJ-UHFFFAOYSA-N 1 0 334.420 1.281 20 5 EDBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000601674461 450160736 /nfs/dbraw/zinc/16/07/36/450160736.db2.gz GVKLXAOFYDMMBF-GFCCVEGCSA-N 1 0 339.367 1.917 20 5 EDBDRO CCOc1cc(N2CC[NH+](C[C@H]3CNC(=O)C3)CC2)ccc1[N+](=O)[O-] ZINC000595466136 450161512 /nfs/dbraw/zinc/16/15/12/450161512.db2.gz RUGTXECQGBXNJA-CYBMUJFWSA-N 1 0 348.403 1.252 20 5 EDBDRO CCOc1cc(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)ccc1[N+](=O)[O-] ZINC000603236013 450164739 /nfs/dbraw/zinc/16/47/39/450164739.db2.gz HOVGTUWACOUZCV-GFCCVEGCSA-N 1 0 331.376 1.785 20 5 EDBDRO CC[N@@H+]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000595535787 450213986 /nfs/dbraw/zinc/21/39/86/450213986.db2.gz QJMKPARUYRBTPM-GOEBONIOSA-N 1 0 337.420 1.751 20 5 EDBDRO Cc1cnc(N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000610283955 450182557 /nfs/dbraw/zinc/18/25/57/450182557.db2.gz BHCXJBJXBCITNE-OAHLLOKOSA-N 1 0 333.436 1.903 20 5 EDBDRO C[C@H]1C[C@@H](C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000601779428 450235131 /nfs/dbraw/zinc/23/51/31/450235131.db2.gz RPSGZQQUKYQQLB-DCGLDWPTSA-N 1 0 335.404 1.649 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[N@@H+]1C1CC1 ZINC000610653946 450285264 /nfs/dbraw/zinc/28/52/64/450285264.db2.gz PPUWJGYMHYUNAE-QWRGUYRKSA-N 1 0 347.371 1.721 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2nnc3n2CCC3)n1 ZINC000616008105 450298674 /nfs/dbraw/zinc/29/86/74/450298674.db2.gz GSNWGFCUWPBUGK-NWDGAFQWSA-N 1 0 331.380 1.603 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000619748013 450325373 /nfs/dbraw/zinc/32/53/73/450325373.db2.gz QUDLNGMCTFVWSC-UHFFFAOYSA-N 1 0 343.405 1.163 20 5 EDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1ccc([N+](=O)[O-])c3cccnc13)C2 ZINC000618921287 450341615 /nfs/dbraw/zinc/34/16/15/450341615.db2.gz VUJOLXNPTYTAGT-UHFFFAOYSA-N 1 0 326.356 1.921 20 5 EDBDRO CO[C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000619429030 450471739 /nfs/dbraw/zinc/47/17/39/450471739.db2.gz OIINTTDLSPGGOX-OCCSQVGLSA-N 1 0 342.417 1.916 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000619483890 450486239 /nfs/dbraw/zinc/48/62/39/450486239.db2.gz YLJRIYBXSMUNPO-LLVKDONJSA-N 1 0 343.405 1.176 20 5 EDBDRO [NH3+]C1(c2noc(-c3ccc(-n4cncn4)c([N+](=O)[O-])c3)n2)CCCC1 ZINC000261749253 491001429 /nfs/dbraw/zinc/00/14/29/491001429.db2.gz CCBBVHYMKUEMDS-UHFFFAOYSA-N 1 0 341.331 1.954 20 5 EDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000155247161 533929383 /nfs/dbraw/zinc/92/93/83/533929383.db2.gz OPHXKXLHAGRBRP-VHSXEESVSA-N 1 0 327.768 1.836 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)[NH2+]1 ZINC000153806191 534432456 /nfs/dbraw/zinc/43/24/56/534432456.db2.gz OHAJRAQTPSRCND-VXGBXAGGSA-N 1 0 329.360 1.603 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000332219373 536469448 /nfs/dbraw/zinc/46/94/48/536469448.db2.gz LUFNXXOEXIBWMD-KGLIPLIRSA-N 1 0 339.779 1.793 20 5 EDBDRO CCC[NH+]1CCC(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000129739424 528203637 /nfs/dbraw/zinc/20/36/37/528203637.db2.gz ZKMGDFSKOUPLLG-UHFFFAOYSA-N 1 0 341.433 1.889 20 5 EDBDRO CCCCC[N@H+](CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000264906626 535041927 /nfs/dbraw/zinc/04/19/27/535041927.db2.gz VYDPILNEQYLQMC-HNNXBMFYSA-N 1 0 326.393 1.819 20 5 EDBDRO CCOc1ccccc1[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000271740247 535540659 /nfs/dbraw/zinc/54/06/59/535540659.db2.gz ILNWMBPLXZNHQX-OCCSQVGLSA-N 1 0 334.376 1.902 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CCC[C@H]2C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000263925648 535675642 /nfs/dbraw/zinc/67/56/42/535675642.db2.gz RSANZGQGBNXKIC-AWEZNQCLSA-N 1 0 349.387 1.938 20 5 EDBDRO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000261834628 536343859 /nfs/dbraw/zinc/34/38/59/536343859.db2.gz VRFMMHQIEJFGTF-ZETCQYMHSA-N 1 0 341.311 1.500 20 5 EDBDRO C[NH2+][C@@H](C)Cc1noc(-c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)n1 ZINC000261671211 536347987 /nfs/dbraw/zinc/34/79/87/536347987.db2.gz GHTKEEBMGBHPDO-VIFPVBQESA-N 1 0 343.347 1.684 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000332093960 536363923 /nfs/dbraw/zinc/36/39/23/536363923.db2.gz BFHDXCFWRPVPTN-ILXRZTDVSA-N 1 0 346.387 1.204 20 5 EDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000249201484 536470031 /nfs/dbraw/zinc/47/00/31/536470031.db2.gz QZLCYUHLTJDDRE-SWLSCSKDSA-N 1 0 346.387 1.476 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000743982062 579496873 /nfs/dbraw/zinc/49/68/73/579496873.db2.gz NSCVOVAUTKYLDY-LBPRGKRZSA-N 1 0 334.376 1.442 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000727108365 578518858 /nfs/dbraw/zinc/51/88/58/578518858.db2.gz AVAOQHQZCUBDJF-HNNXBMFYSA-N 1 0 343.387 1.641 20 5 EDBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000728604250 578549320 /nfs/dbraw/zinc/54/93/20/578549320.db2.gz BJNXNVDLSUZZGO-AWEZNQCLSA-N 1 0 345.403 1.934 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[N@H+](C)[C@@H](C)C1 ZINC000761074621 580046663 /nfs/dbraw/zinc/04/66/63/580046663.db2.gz XZZALSZJWNTTKY-NWDGAFQWSA-N 1 0 336.392 1.566 20 5 EDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000753648985 579884228 /nfs/dbraw/zinc/88/42/28/579884228.db2.gz PLCIHTCOFFZNDZ-LBPRGKRZSA-N 1 0 327.356 1.821 20 5 EDBDRO COC(=O)/C=C\c1ccc(NC[C@@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000762816262 580084415 /nfs/dbraw/zinc/08/44/15/580084415.db2.gz OBHPAEYJYUTEPU-LEXSJLIMSA-N 1 0 335.360 1.260 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC[S@@](C)=O ZINC000766049988 580157590 /nfs/dbraw/zinc/15/75/90/580157590.db2.gz NUXYCAUBZVCSEY-KPWVOAKYSA-N 1 0 327.406 1.670 20 5 EDBDRO CS[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000772848652 580321798 /nfs/dbraw/zinc/32/17/98/580321798.db2.gz XBQBWTZIZJJATB-STQMWFEESA-N 1 0 327.381 1.852 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC2CC([NH+](C)C)C2)cc1OC ZINC000773487044 580338640 /nfs/dbraw/zinc/33/86/40/580338640.db2.gz NBCAILZLRYDLGP-UHFFFAOYSA-N 1 0 337.376 1.825 20 5 EDBDRO O=C(C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1)N1CCCC1 ZINC000776576012 580421762 /nfs/dbraw/zinc/42/17/62/580421762.db2.gz ZKKWMIPPXAGEOZ-QGZVFWFLSA-N 1 0 347.415 1.963 20 5 EDBDRO COC(=O)[C@H]1CC12CC[NH+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776583396 580422190 /nfs/dbraw/zinc/42/21/90/580422190.db2.gz FJMKTZKWBSUQFX-HUUCEWRRSA-N 1 0 334.372 1.903 20 5 EDBDRO COc1cc(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)c([N+](=O)[O-])cc1F ZINC000892767661 591168668 /nfs/dbraw/zinc/16/86/68/591168668.db2.gz YCZXTZSVPGVRJO-INIZCTEOSA-N 1 0 337.351 1.957 20 5 EDBDRO C[C@]1(NC(=O)CCOc2ccccc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000892795222 591182487 /nfs/dbraw/zinc/18/24/87/591182487.db2.gz ZLVVQHJVQQFUFC-KRWDZBQOSA-N 1 0 333.388 1.964 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000892928929 591228194 /nfs/dbraw/zinc/22/81/94/591228194.db2.gz BVVMSMMILKLFBW-WFASDCNBSA-N 1 0 334.376 1.319 20 5 EDBDRO COC(=O)[C@@H]1[C@@H](CN(CC[NH3+])c2ccccc2[N+](=O)[O-])C1(F)F ZINC000894762307 591413438 /nfs/dbraw/zinc/41/34/38/591413438.db2.gz VKQINOCVBBABGF-SKDRFNHKSA-N 1 0 329.303 1.414 20 5 EDBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H](C3OCCO3)C1)OCCO2 ZINC000896384760 591445540 /nfs/dbraw/zinc/44/55/40/591445540.db2.gz NQYFULVYFLLJAQ-LLVKDONJSA-N 1 0 336.344 1.561 20 5 EDBDRO CCC[C@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000895058416 591552191 /nfs/dbraw/zinc/55/21/91/591552191.db2.gz KWMXOZQJZGCXIR-NSHDSACASA-N 1 0 327.406 1.577 20 5 EDBDRO C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@@H]1C[N@H+](C)CCN1C ZINC000895245925 591678330 /nfs/dbraw/zinc/67/83/30/591678330.db2.gz JTGQPIMHBUKXNK-KOLCDFICSA-N 1 0 336.421 1.646 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1C ZINC000897878979 591704164 /nfs/dbraw/zinc/70/41/64/591704164.db2.gz DCHVNQQEIGJKJY-CQSZACIVSA-N 1 0 335.404 1.788 20 5 EDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000898038127 591764855 /nfs/dbraw/zinc/76/48/55/591764855.db2.gz GSGXPIWTRWVKHA-LBPRGKRZSA-N 1 0 349.387 1.970 20 5 EDBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)CCO ZINC000899737877 591926636 /nfs/dbraw/zinc/92/66/36/591926636.db2.gz RUCJBGSOILTGAZ-UHFFFAOYSA-N 1 0 341.433 1.751 20 5 EDBDRO C[NH+]1CCC2(CCN2C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000899909349 591975838 /nfs/dbraw/zinc/97/58/38/591975838.db2.gz AOUPCDVEWGACOK-HNNXBMFYSA-N 1 0 335.404 1.505 20 5 EDBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCNCC[NH2+]CC1 ZINC000900368838 591998719 /nfs/dbraw/zinc/99/87/19/591998719.db2.gz LTIDWRXPTYXDRI-UHFFFAOYSA-N 1 0 331.376 1.151 20 5 EDBDRO [NH3+]CC[C@@H]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000900375643 592000873 /nfs/dbraw/zinc/00/08/73/592000873.db2.gz MKGVJHNQWQAZCS-CQSZACIVSA-N 1 0 334.420 1.602 20 5 EDBDRO COCC[C@@H]1C[NH2+]CCN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000900440887 592018883 /nfs/dbraw/zinc/01/88/83/592018883.db2.gz RUEZCIJRRNHSNP-CQSZACIVSA-N 1 0 348.403 1.302 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCN2CCCOCC2)n1 ZINC000903227720 592143676 /nfs/dbraw/zinc/14/36/76/592143676.db2.gz NFRZYMCJXNTPBT-LSDHHAIUSA-N 1 0 337.424 1.587 20 5 EDBDRO CN1CCOC[C@@]1(CO)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000903279742 592151342 /nfs/dbraw/zinc/15/13/42/592151342.db2.gz RVLPGNXMBUAOLM-WMZOPIPTSA-N 1 0 349.431 1.600 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000900966929 592187409 /nfs/dbraw/zinc/18/74/09/592187409.db2.gz IPDGNPIXAIDAOD-DYVFJYSZSA-N 1 0 335.404 1.927 20 5 EDBDRO O=C(CN1CC[NH2+]CCC12CCOCC2)Nc1ccccc1[N+](=O)[O-] ZINC000903814680 592324800 /nfs/dbraw/zinc/32/48/00/592324800.db2.gz GNRXSFLWZNYMRI-UHFFFAOYSA-N 1 0 348.403 1.378 20 5 EDBDRO COC[C@H]1C[NH2+]CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000903875927 592356803 /nfs/dbraw/zinc/35/68/03/592356803.db2.gz UBKHESDNZXSNSX-LLVKDONJSA-N 1 0 342.783 1.107 20 5 EDBDRO C[NH+](C)C[C@@H](CO)NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000908199431 592377458 /nfs/dbraw/zinc/37/74/58/592377458.db2.gz DYRAQILPZSWIJV-NSHDSACASA-N 1 0 329.784 1.220 20 5 EDBDRO C[N@@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC12CCCCC2 ZINC000908573941 592544853 /nfs/dbraw/zinc/54/48/53/592544853.db2.gz WSAGKEZFODYBRJ-UHFFFAOYSA-N 1 0 348.403 1.233 20 5 EDBDRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000907655161 592744642 /nfs/dbraw/zinc/74/46/42/592744642.db2.gz WTSYSYNJPNNIFF-QGZVFWFLSA-N 1 0 349.387 1.031 20 5 EDBDRO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000910471275 592868065 /nfs/dbraw/zinc/86/80/65/592868065.db2.gz AJFBDEFAGAJPCF-LLVKDONJSA-N 1 0 335.360 1.580 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000911869598 593024508 /nfs/dbraw/zinc/02/45/08/593024508.db2.gz YBPYIAXRKWVJER-HNNXBMFYSA-N 1 0 343.387 1.664 20 5 EDBDRO O=C([C@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000911972950 593043371 /nfs/dbraw/zinc/04/33/71/593043371.db2.gz CSLKRXVTHQLTAE-PMPSAXMXSA-N 1 0 330.388 1.099 20 5 EDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1 ZINC000912256476 593079998 /nfs/dbraw/zinc/07/99/98/593079998.db2.gz XDOMZOZOUZNXNN-IVMMDQJWSA-N 1 0 333.388 1.758 20 5 EDBDRO O=C([C@@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1)N1CCCC1 ZINC000808207534 593239414 /nfs/dbraw/zinc/23/94/14/593239414.db2.gz IKJIZJFZIONDMZ-CQSZACIVSA-N 1 0 343.387 1.846 20 5 EDBDRO COc1cccc([C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000839458993 593302735 /nfs/dbraw/zinc/30/27/35/593302735.db2.gz ZNXUCUXQFJZVRF-OAGGEKHMSA-N 1 0 333.388 1.614 20 5 EDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCNC1=O ZINC000839481876 593305655 /nfs/dbraw/zinc/30/56/55/593305655.db2.gz UBUMHWCGVOSSJE-CQSZACIVSA-N 1 0 334.376 1.524 20 5 EDBDRO CC[NH+]1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000816974569 593566459 /nfs/dbraw/zinc/56/64/59/593566459.db2.gz GXKUDVUJBRALDQ-UHFFFAOYSA-N 1 0 340.811 1.616 20 5 EDBDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815601222 593643967 /nfs/dbraw/zinc/64/39/67/593643967.db2.gz QKJJJKDURYSMPW-ITDIGPHOSA-N 1 0 336.392 1.463 20 5 EDBDRO Nc1ccc(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000818010728 593656911 /nfs/dbraw/zinc/65/69/11/593656911.db2.gz OOYVYGMRYYAILM-GDBMZVCRSA-N 1 0 348.403 1.536 20 5 EDBDRO C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000819264905 593747706 /nfs/dbraw/zinc/74/77/06/593747706.db2.gz IFUVQBGEJDFYDM-RHSMWYFYSA-N 1 0 337.420 1.719 20 5 EDBDRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000819276564 593748198 /nfs/dbraw/zinc/74/81/98/593748198.db2.gz OORCIZPWEAHVRV-CYBMUJFWSA-N 1 0 328.390 1.185 20 5 EDBDRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000819361748 593751897 /nfs/dbraw/zinc/75/18/97/593751897.db2.gz QXWFQZUBPQFABH-KBMXLJTQSA-N 1 0 346.387 1.872 20 5 EDBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1C ZINC000825451247 594187143 /nfs/dbraw/zinc/18/71/43/594187143.db2.gz HMXUAPIPOROPMD-WDEREUQCSA-N 1 0 331.380 1.694 20 5 EDBDRO C[C@@H](C1CC1)[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000823430051 594200935 /nfs/dbraw/zinc/20/09/35/594200935.db2.gz IFIKCSNHVBZKDR-AWEZNQCLSA-N 1 0 346.431 1.974 20 5 EDBDRO C[N@@H+]1CCCN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000827579694 594237560 /nfs/dbraw/zinc/23/75/60/594237560.db2.gz HKAMAGJXERZVLS-UHFFFAOYSA-N 1 0 338.383 1.491 20 5 EDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826635610 594544538 /nfs/dbraw/zinc/54/45/38/594544538.db2.gz QWMVIFFYVHYZED-CZUORRHYSA-N 1 0 335.404 1.819 20 5 EDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000826685009 594554893 /nfs/dbraw/zinc/55/48/93/594554893.db2.gz DHGXNDMKDUGZQS-SNVBAGLBSA-N 1 0 337.336 1.059 20 5 EDBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831158891 594571855 /nfs/dbraw/zinc/57/18/55/594571855.db2.gz NHLWZXFONMCGPY-CVEARBPZSA-N 1 0 333.388 1.761 20 5 EDBDRO CC(C)(CCC(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1)[N+](=O)[O-] ZINC000826902858 594598838 /nfs/dbraw/zinc/59/88/38/594598838.db2.gz MEIFANLORZESKV-HNNXBMFYSA-N 1 0 341.452 1.925 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000827353414 594663787 /nfs/dbraw/zinc/66/37/87/594663787.db2.gz COLKCQGFFJAKFQ-DGCLKSJQSA-N 1 0 349.387 1.778 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000832226115 594736786 /nfs/dbraw/zinc/73/67/86/594736786.db2.gz UNOSXLQUVLVHDE-CABCVRRESA-N 1 0 345.399 1.968 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000832690429 594769288 /nfs/dbraw/zinc/76/92/88/594769288.db2.gz GXTXJCQGXZUAJM-QMTHXVAHSA-N 1 0 334.332 1.588 20 5 EDBDRO [NH3+][C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000841200748 594867447 /nfs/dbraw/zinc/86/74/47/594867447.db2.gz FRGMAQFMVVNXGR-JTQLQIEISA-N 1 0 326.740 1.040 20 5 EDBDRO O=C(NCC1CC[NH2+]CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841923359 594982530 /nfs/dbraw/zinc/98/25/30/594982530.db2.gz DOVBZTCYEJOTQB-UHFFFAOYSA-N 1 0 347.419 1.426 20 5 EDBDRO [NH3+]C[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000841948708 594987924 /nfs/dbraw/zinc/98/79/24/594987924.db2.gz WQWSSPAMCSWMLZ-OAHLLOKOSA-N 1 0 333.392 1.164 20 5 EDBDRO O=C(CCN(C1CC1)[C@@H]1CC[NH2+]C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000843361151 595088072 /nfs/dbraw/zinc/08/80/72/595088072.db2.gz CPHYXMQYWJCUKX-CYBMUJFWSA-N 1 0 336.367 1.889 20 5 EDBDRO [NH3+]C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000842479785 595116312 /nfs/dbraw/zinc/11/63/12/595116312.db2.gz YKMGXZBCJPJMEE-LLVKDONJSA-N 1 0 342.783 1.236 20 5 EDBDRO CC1(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000842482046 595118113 /nfs/dbraw/zinc/11/81/13/595118113.db2.gz VNDCSUBNKLJALG-UHFFFAOYSA-N 1 0 333.797 1.669 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842486012 595121207 /nfs/dbraw/zinc/12/12/07/595121207.db2.gz XKNOOHVOSMJORU-CQSZACIVSA-N 1 0 341.389 1.120 20 5 EDBDRO Nc1ccc(C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000842510502 595122983 /nfs/dbraw/zinc/12/29/83/595122983.db2.gz SKHUERMZVBLNSM-BBRMVZONSA-N 1 0 348.403 1.536 20 5 EDBDRO C[NH2+]C[C@@H](C)c1noc(-c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)n1 ZINC000842581804 595132238 /nfs/dbraw/zinc/13/22/38/595132238.db2.gz LQRVTQSOOQCRBL-MRVPVSSYSA-N 1 0 340.361 1.371 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000843500887 595132870 /nfs/dbraw/zinc/13/28/70/595132870.db2.gz BXARCUYAIOEPIT-OAHLLOKOSA-N 1 0 334.332 1.780 20 5 EDBDRO Cc1c(C(=O)NCCCCCC[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000843510430 595137351 /nfs/dbraw/zinc/13/73/51/595137351.db2.gz OUVOSYZBISBPII-UHFFFAOYSA-N 1 0 346.391 1.733 20 5 EDBDRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000842722431 595180617 /nfs/dbraw/zinc/18/06/17/595180617.db2.gz GZFSYAUWDXHREI-HNNXBMFYSA-N 1 0 343.449 1.820 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000842748274 595187484 /nfs/dbraw/zinc/18/74/84/595187484.db2.gz ZCKCOTWUYUSHCJ-LLVKDONJSA-N 1 0 345.808 1.763 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000842878685 595223828 /nfs/dbraw/zinc/22/38/28/595223828.db2.gz OFDFXXYMOCRELD-VIFPVBQESA-N 1 0 335.813 1.962 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000843049026 595273522 /nfs/dbraw/zinc/27/35/22/595273522.db2.gz FIRKJBPPHKIRAI-YUMQZZPRSA-N 1 0 326.328 1.223 20 5 EDBDRO CC(C)[C@@H]([NH3+])c1noc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000843152779 595296759 /nfs/dbraw/zinc/29/67/59/595296759.db2.gz SCMFZVRUAGYMPD-CYBMUJFWSA-N 1 0 333.348 1.606 20 5 EDBDRO O=C(Cc1noc(CC[NH2+]C2CC2)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000848626319 595419084 /nfs/dbraw/zinc/41/90/84/595419084.db2.gz ANWIVNZBBBFCLW-UHFFFAOYSA-N 1 0 345.359 1.131 20 5 EDBDRO CC(=O)NC[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000860179863 595606216 /nfs/dbraw/zinc/60/62/16/595606216.db2.gz GSORKGWEAKWTOU-CQSZACIVSA-N 1 0 336.348 1.994 20 5 EDBDRO C[NH+](C)CCC[C@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CCO1 ZINC000853990444 595943974 /nfs/dbraw/zinc/94/39/74/595943974.db2.gz OEKSDKRWXRSMPN-NSHDSACASA-N 1 0 335.364 1.678 20 5 EDBDRO COc1ccc(OCC[N@@H+]2CCC3=C(CCC(=O)N3)C2)c([N+](=O)[O-])c1 ZINC000852298482 596116197 /nfs/dbraw/zinc/11/61/97/596116197.db2.gz BOBFMMBJFZJRIN-UHFFFAOYSA-N 1 0 347.371 1.852 20 5 EDBDRO CN(C(=O)CN1CC[C@H](N2CCOC2=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000852435348 596160480 /nfs/dbraw/zinc/16/04/80/596160480.db2.gz MMMLMVLEFVWLLL-AWEZNQCLSA-N 1 0 348.359 1.084 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000866824903 596367231 /nfs/dbraw/zinc/36/72/31/596367231.db2.gz VYPFFNMACAACPE-QWHCGFSZSA-N 1 0 339.417 1.727 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866827328 596367936 /nfs/dbraw/zinc/36/79/36/596367936.db2.gz LBBOPGGIEQRISB-ZIAGYGMSSA-N 1 0 339.417 1.672 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000866831354 596370691 /nfs/dbraw/zinc/37/06/91/596370691.db2.gz JRTOOBOXJNAPAQ-STQMWFEESA-N 1 0 325.390 1.418 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000870894755 596393283 /nfs/dbraw/zinc/39/32/83/596393283.db2.gz GIBLFZILTCBHGK-DOTOQJQBSA-N 1 0 334.420 1.711 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@](C)(N)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000870907049 596399147 /nfs/dbraw/zinc/39/91/47/596399147.db2.gz PTENXPVMBNDJIQ-QBIMZIAESA-N 1 0 346.431 1.711 20 5 EDBDRO C[NH+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865433616 596573095 /nfs/dbraw/zinc/57/30/95/596573095.db2.gz VXXHDPAOQAPZGP-UHFFFAOYSA-N 1 0 342.346 1.743 20 5 EDBDRO COCC[N@@H+]1CCC[C@H](Nc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865522207 596599441 /nfs/dbraw/zinc/59/94/41/596599441.db2.gz NTQVPWXNSCGUJQ-LBPRGKRZSA-N 1 0 327.356 1.749 20 5 EDBDRO C[C@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000865817071 596695292 /nfs/dbraw/zinc/69/52/92/596695292.db2.gz XXWCEUOWZUXGCT-GFCCVEGCSA-N 1 0 338.383 1.029 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000871815672 596710778 /nfs/dbraw/zinc/71/07/78/596710778.db2.gz NSUAABLHBFNIIJ-SWLSCSKDSA-N 1 0 339.417 1.387 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c(C)cc1[N+](=O)[O-] ZINC000871815728 596710826 /nfs/dbraw/zinc/71/08/26/596710826.db2.gz QJZVOBPQPNSWDV-SWLSCSKDSA-N 1 0 339.417 1.442 20 5 EDBDRO C[C@@](O)(C[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000871965105 596761931 /nfs/dbraw/zinc/76/19/31/596761931.db2.gz BMVLRALMUIWEFR-QZTJIDSGSA-N 1 0 349.431 1.629 20 5 EDBDRO COc1ccc(OS(=O)(=O)CC2([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000866395128 596875205 /nfs/dbraw/zinc/87/52/05/596875205.db2.gz KWVCEKCZQHGLDH-UHFFFAOYSA-N 1 0 330.362 1.406 20 5 EDBDRO COc1cc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000124912933 596983255 /nfs/dbraw/zinc/98/32/55/596983255.db2.gz PGQKTHGPEPCNGM-ZJUUUORDSA-N 1 0 329.378 1.152 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000874253608 596987519 /nfs/dbraw/zinc/98/75/19/596987519.db2.gz SXUKDTALYHHWQW-ZIAGYGMSSA-N 1 0 333.388 1.805 20 5 EDBDRO CN(Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CCCCN(C)C1=O ZINC000872672396 597024818 /nfs/dbraw/zinc/02/48/18/597024818.db2.gz NVMAOVIIJNKOQR-AWEZNQCLSA-N 1 0 331.376 1.845 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCN(C)S(C)(=O)=O ZINC000873012510 597159962 /nfs/dbraw/zinc/15/99/62/597159962.db2.gz SJAAYKJNFBQWEM-UHFFFAOYSA-N 1 0 329.422 1.583 20 5 EDBDRO CC(C)(C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 ZINC000876531113 597231422 /nfs/dbraw/zinc/23/14/22/597231422.db2.gz VKQQCGSMTDKKDM-UHFFFAOYSA-N 1 0 348.447 1.828 20 5 EDBDRO COc1cc(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000877370354 597503347 /nfs/dbraw/zinc/50/33/47/597503347.db2.gz UNAOFKNGSIWXIW-ZJUUUORDSA-N 1 0 347.293 1.813 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000877668589 597546392 /nfs/dbraw/zinc/54/63/92/597546392.db2.gz RYNGRLXPMMBMGW-IAGOWNOFSA-N 1 0 331.372 1.696 20 5 EDBDRO Cn1cc(C(F)F)c(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)n1 ZINC000877733037 597551843 /nfs/dbraw/zinc/55/18/43/597551843.db2.gz NNGSSOYDBWHNQM-UHFFFAOYSA-N 1 0 326.307 1.956 20 5 EDBDRO CC[N@H+](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)C1CC1 ZINC000878622244 597658599 /nfs/dbraw/zinc/65/85/99/597658599.db2.gz UHNXZJXZCWSNDY-UHFFFAOYSA-N 1 0 349.387 1.970 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000880137850 597853111 /nfs/dbraw/zinc/85/31/11/597853111.db2.gz LNPRTRQDYWRDGR-JKSUJKDBSA-N 1 0 344.415 1.652 20 5 EDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000133213726 597949406 /nfs/dbraw/zinc/94/94/06/597949406.db2.gz IUNLTLZKFJVKIE-ZDUSSCGKSA-N 1 0 348.403 1.255 20 5 EDBDRO CC[N@H+]1[C@H](C)CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000880609559 597979981 /nfs/dbraw/zinc/97/99/81/597979981.db2.gz ZBRJUTDDAPUYGO-BETUJISGSA-N 1 0 345.403 1.886 20 5 EDBDRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000882767345 598050192 /nfs/dbraw/zinc/05/01/92/598050192.db2.gz KOYFVGZLWWYLPC-UHFFFAOYSA-N 1 0 340.405 1.239 20 5 EDBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](CC3CC3)C2)c(-c2nn[nH]n2)c1 ZINC000738369218 598504332 /nfs/dbraw/zinc/50/43/32/598504332.db2.gz JLQGLMNVZBQKRJ-JTQLQIEISA-N 1 0 330.352 1.066 20 5 EDBDRO C[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000820703979 607168376 /nfs/dbraw/zinc/16/83/76/607168376.db2.gz KWFPWQGFZBPHEV-MNOVXSKESA-N 1 0 346.395 1.845 20 5 EDBDRO CC(=O)N1CCOC2(CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000948989854 695217813 /nfs/dbraw/zinc/21/78/13/695217813.db2.gz PQRRVGCLOPCOHD-UHFFFAOYSA-N 1 0 333.388 1.808 20 5 EDBDRO CN(CCOc1cccc([N+](=O)[O-])c1)CC(=O)NCc1ccco1 ZINC000915360158 695800918 /nfs/dbraw/zinc/80/09/18/695800918.db2.gz UDEKWYZGLYYTTP-UHFFFAOYSA-N 1 0 333.344 1.815 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(C)CCN(C(=O)CC2CCC2)CC1 ZINC000940028508 700127337 /nfs/dbraw/zinc/12/73/37/700127337.db2.gz AQQYFZCEBDGGAZ-UHFFFAOYSA-N 1 0 349.435 1.989 20 5 EDBDRO O=C(NCC1C[NH+](CCOC2CCCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031661468 697438510 /nfs/dbraw/zinc/43/85/10/697438510.db2.gz ZSAXQIRWXDYAIK-HZPDHXFCSA-N 1 0 339.436 1.439 20 5 EDBDRO COc1ccccc1CCC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001031663426 697440598 /nfs/dbraw/zinc/44/05/98/697440598.db2.gz ZIXFRKDGMPNLTA-HZPDHXFCSA-N 1 0 347.415 1.341 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2c(F)cccc2F)CC1 ZINC000996428814 702783065 /nfs/dbraw/zinc/78/30/65/702783065.db2.gz HYKNLGUAFSLBBB-IAQYHMDHSA-N 1 0 339.342 1.711 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922874439 704443328 /nfs/dbraw/zinc/44/33/28/704443328.db2.gz ZIVYUMWXASBPLW-UHFFFAOYSA-N 1 0 347.415 1.897 20 5 EDBDRO CN1CCC([NH+]2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000050802066 214070854 /nfs/dbraw/zinc/07/08/54/214070854.db2.gz DFCJKGBELMVHHO-UHFFFAOYSA-N 1 0 346.431 1.883 20 5 EDBDRO C[NH2+]CC1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000237356958 290640924 /nfs/dbraw/zinc/64/09/24/290640924.db2.gz LNFSAWFSOZHOCW-UHFFFAOYSA-N 1 0 341.433 1.832 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174546163 231237417 /nfs/dbraw/zinc/23/74/17/231237417.db2.gz MGJMCDBKAHFYBC-CQSZACIVSA-N 1 0 348.403 1.091 20 5 EDBDRO CC[C@@]1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC[NH2+]1 ZINC000129018448 529519101 /nfs/dbraw/zinc/51/91/01/529519101.db2.gz KOCLVJYNCCHCCN-KRWDZBQOSA-N 1 0 332.404 1.776 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000175084077 231381252 /nfs/dbraw/zinc/38/12/52/231381252.db2.gz DBEWKRWFYPCNHM-NXEZZACHSA-N 1 0 333.435 1.807 20 5 EDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000152921105 529808991 /nfs/dbraw/zinc/80/89/91/529808991.db2.gz ZFWHBYMYIWHWFY-DOMZBBRYSA-N 1 0 339.417 1.700 20 5 EDBDRO O=Cc1ccc(OCC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000068349834 215301197 /nfs/dbraw/zinc/30/11/97/215301197.db2.gz MWMGGCXRGWQLLX-CQSZACIVSA-N 1 0 347.371 1.483 20 5 EDBDRO CN(CC1CC[NH+](C)CC1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000103531863 219312777 /nfs/dbraw/zinc/31/27/77/219312777.db2.gz IGNXFIQCFFNHQY-UHFFFAOYSA-N 1 0 348.403 1.125 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2ccc(F)c(F)c2)c1 ZINC000563003007 306315643 /nfs/dbraw/zinc/31/56/43/306315643.db2.gz NHVHNGKSBDULJM-GFCCVEGCSA-N 1 0 326.303 1.263 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cncc(Br)c2)c1 ZINC000183737183 235211165 /nfs/dbraw/zinc/21/11/65/235211165.db2.gz OPMWVIINDUDPQZ-UHFFFAOYSA-N 1 0 326.154 1.739 20 5 EDBDRO COc1cc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000079031859 138259995 /nfs/dbraw/zinc/25/99/95/138259995.db2.gz HMDRRGYFZFHXNQ-ZDUSSCGKSA-N 1 0 337.376 1.682 20 5 EDBDRO O=[N+]([O-])c1c(NCC2CC[NH+](CCO)CC2)nc2sccn21 ZINC000105791654 138301801 /nfs/dbraw/zinc/30/18/01/138301801.db2.gz YKEVVYCEAUDHOF-UHFFFAOYSA-N 1 0 325.394 1.420 20 5 EDBDRO CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1([NH+](C)C)CCC1 ZINC000186984631 236086252 /nfs/dbraw/zinc/08/62/52/236086252.db2.gz DYSOOHCNJIAGTD-OAHLLOKOSA-N 1 0 337.420 1.751 20 5 EDBDRO C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@H](c1ccccc1)[NH+](C)C ZINC000187253182 236158299 /nfs/dbraw/zinc/15/82/99/236158299.db2.gz RRHZFORSLXOHGC-BLLLJJGKSA-N 1 0 331.376 1.599 20 5 EDBDRO O=C(CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)NC1CCCC1 ZINC000173463174 237261264 /nfs/dbraw/zinc/26/12/64/237261264.db2.gz YVDBNJSDYSUUBD-CQSZACIVSA-N 1 0 347.419 1.925 20 5 EDBDRO CO[C@H]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000564835749 306366211 /nfs/dbraw/zinc/36/62/11/306366211.db2.gz PGBVHCDGURLAAE-MNOVXSKESA-N 1 0 339.417 1.895 20 5 EDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCCC[N@H+]1CCC[C@H]1CO ZINC000131399845 223229475 /nfs/dbraw/zinc/22/94/75/223229475.db2.gz OLRSPCGDSVJJHD-SCOAYWHSSA-N 1 0 347.415 1.961 20 5 EDBDRO COc1cccc([N+](=O)[O-])c1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000565489695 306385095 /nfs/dbraw/zinc/38/50/95/306385095.db2.gz BTYHALVNJZBZSI-CQSZACIVSA-N 1 0 348.403 1.346 20 5 EDBDRO Cc1ccc([C@@H](C)[NH2+]CCCCn2cc(C(N)=O)nn2)cc1[N+](=O)[O-] ZINC000414345577 304109164 /nfs/dbraw/zinc/10/91/64/304109164.db2.gz DTNWKZQTFPVPMY-GFCCVEGCSA-N 1 0 346.391 1.725 20 5 EDBDRO C[NH+](C)CCn1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])n1 ZINC000566017997 306396772 /nfs/dbraw/zinc/39/67/72/306396772.db2.gz RFZUDYXKJAKDQJ-UHFFFAOYSA-N 1 0 346.391 1.195 20 5 EDBDRO COc1cccc(C2(C[NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000566129136 306399113 /nfs/dbraw/zinc/39/91/13/306399113.db2.gz XZHJMAQURHNVIL-HNNXBMFYSA-N 1 0 346.387 1.482 20 5 EDBDRO COc1ccc(C)cc1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000566615524 306421950 /nfs/dbraw/zinc/42/19/50/306421950.db2.gz OZZPORSXQJIAEB-HNNXBMFYSA-N 1 0 334.376 1.302 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)c1 ZINC000566910548 306432504 /nfs/dbraw/zinc/43/25/04/306432504.db2.gz QNOKELXJZSKOHI-ZACQAIPSSA-N 1 0 346.387 1.662 20 5 EDBDRO Cc1cc(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])ccc1[N+](=O)[O-] ZINC000193694298 138976310 /nfs/dbraw/zinc/97/63/10/138976310.db2.gz SAVWQHNYQMWVFZ-CQSZACIVSA-N 1 0 348.403 1.363 20 5 EDBDRO [NH3+]C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCCO1 ZINC000415119652 304161271 /nfs/dbraw/zinc/16/12/71/304161271.db2.gz ZHVWTMFKZNXRSS-GFCCVEGCSA-N 1 0 331.319 1.746 20 5 EDBDRO COc1cc(S(=O)(=O)N[C@@H](C[NH3+])CC(C)C)ccc1[N+](=O)[O-] ZINC000237087876 139040301 /nfs/dbraw/zinc/04/03/01/139040301.db2.gz KXFDRVYDSHPXCO-SNVBAGLBSA-N 1 0 331.394 1.255 20 5 EDBDRO Cc1cc(C(=O)N2CCC[C@H]2C(=O)NC[C@@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000237351309 139048880 /nfs/dbraw/zinc/04/88/80/139048880.db2.gz HCDHIKYLFKENOL-NHYWBVRUSA-N 1 0 348.403 1.219 20 5 EDBDRO C[NH2+]CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000237360580 139049216 /nfs/dbraw/zinc/04/92/16/139049216.db2.gz DEUMJUJPAOKRCA-UHFFFAOYSA-N 1 0 343.405 1.224 20 5 EDBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000567419801 306451055 /nfs/dbraw/zinc/45/10/55/306451055.db2.gz DNZKRDKIPPPUSG-ZDUSSCGKSA-N 1 0 333.348 1.359 20 5 EDBDRO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000111372531 220147324 /nfs/dbraw/zinc/14/73/24/220147324.db2.gz OITQNQMLHAGIFV-NHYWBVRUSA-N 1 0 329.360 1.784 20 5 EDBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]C1 ZINC000237761582 139059748 /nfs/dbraw/zinc/05/97/48/139059748.db2.gz FEKAOVMIPVNTQF-LLVKDONJSA-N 1 0 327.768 1.885 20 5 EDBDRO [NH3+]CC1(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000237786026 139060380 /nfs/dbraw/zinc/06/03/80/139060380.db2.gz GWULMWZNBFGCEA-UHFFFAOYSA-N 1 0 330.344 1.438 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000266038919 248054644 /nfs/dbraw/zinc/05/46/44/248054644.db2.gz UHGMJJSTLXTGQI-SNVBAGLBSA-N 1 0 331.394 1.222 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C[C@@H]12 ZINC000248666342 139170853 /nfs/dbraw/zinc/17/08/53/139170853.db2.gz WPNFVGLUUYDEQH-HLUHBDAQSA-N 1 0 345.808 1.606 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000415406994 304215453 /nfs/dbraw/zinc/21/54/53/304215453.db2.gz FFRNUSOXINRXLB-CYBMUJFWSA-N 1 0 348.403 1.656 20 5 EDBDRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000093873723 218253770 /nfs/dbraw/zinc/25/37/70/218253770.db2.gz OAJDHZJRHOMZAF-UHFFFAOYSA-N 1 0 335.813 1.854 20 5 EDBDRO COCC1(CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC[NH2+]CC1 ZINC000261648505 139214278 /nfs/dbraw/zinc/21/42/78/139214278.db2.gz JFOQCUJSLRCJQU-UHFFFAOYSA-N 1 0 337.376 1.349 20 5 EDBDRO COc1ccc(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000415454161 304221969 /nfs/dbraw/zinc/22/19/69/304221969.db2.gz ZWSPYHXXMJYCLS-CYBMUJFWSA-N 1 0 349.391 1.115 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000261658648 139215073 /nfs/dbraw/zinc/21/50/73/139215073.db2.gz GDBPFRBIKPQVJY-ZYHUDNBSSA-N 1 0 343.405 1.494 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569103798 306496470 /nfs/dbraw/zinc/49/64/70/306496470.db2.gz VAXCABVFCCZFIY-OAHLLOKOSA-N 1 0 339.417 1.667 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000261687427 139217588 /nfs/dbraw/zinc/21/75/88/139217588.db2.gz ISYPYEFQMNCLGL-QWRGUYRKSA-N 1 0 343.405 1.270 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2nnc3n2CCNC3)CC1 ZINC000261735229 139221664 /nfs/dbraw/zinc/22/16/64/139221664.db2.gz LYLNVEOFCKMYSV-UHFFFAOYSA-N 1 0 342.403 1.669 20 5 EDBDRO C[C@@]1(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC[NH2+]C1 ZINC000261752901 139223250 /nfs/dbraw/zinc/22/32/50/139223250.db2.gz KBLQWFKUQLTKOZ-OAHLLOKOSA-N 1 0 338.433 1.414 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261812658 139228186 /nfs/dbraw/zinc/22/81/86/139228186.db2.gz GQTRIANRPJPYIQ-QWRGUYRKSA-N 1 0 343.405 1.209 20 5 EDBDRO COc1ccc(CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000417204223 251146304 /nfs/dbraw/zinc/14/63/04/251146304.db2.gz ZVGOKZQXEVIMHN-QGZVFWFLSA-N 1 0 348.403 1.889 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000417843983 251295176 /nfs/dbraw/zinc/29/51/76/251295176.db2.gz HGHUTHSNWBNHTH-JSGCOSHPSA-N 1 0 335.408 1.167 20 5 EDBDRO COc1ccc(S(=O)(=O)NC2(C)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000262518881 139283824 /nfs/dbraw/zinc/28/38/24/139283824.db2.gz NUJJWRQVNCPZIN-UHFFFAOYSA-N 1 0 329.378 1.024 20 5 EDBDRO O=C(NC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000262524565 139284188 /nfs/dbraw/zinc/28/41/88/139284188.db2.gz ZQXPKSJFCIYJCZ-UHFFFAOYSA-N 1 0 328.166 1.839 20 5 EDBDRO CC[C@@H](NC(=O)N1CCCO[C@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417859139 251300363 /nfs/dbraw/zinc/30/03/63/251300363.db2.gz VSSSWLQPTSFRHZ-HUUCEWRRSA-N 1 0 336.392 1.805 20 5 EDBDRO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000419152953 251486775 /nfs/dbraw/zinc/48/67/75/251486775.db2.gz OYWZRYLGDQZENF-RWMBFGLXSA-N 1 0 348.403 1.276 20 5 EDBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420202287 251642088 /nfs/dbraw/zinc/64/20/88/251642088.db2.gz PCHUIUOCPJFFTA-CVEARBPZSA-N 1 0 346.431 1.758 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420253604 251659691 /nfs/dbraw/zinc/65/96/91/251659691.db2.gz PYSOXUITAHTGHB-ZDUSSCGKSA-N 1 0 348.403 1.174 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000262762600 139301836 /nfs/dbraw/zinc/30/18/36/139301836.db2.gz KUANRORBXPBETP-PWSUYJOCSA-N 1 0 337.376 1.730 20 5 EDBDRO Cc1c(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000262846113 139307582 /nfs/dbraw/zinc/30/75/82/139307582.db2.gz JKCNNSQTAKSMNS-PWSUYJOCSA-N 1 0 344.375 1.354 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000422851643 252000709 /nfs/dbraw/zinc/00/07/09/252000709.db2.gz PJCSCRFKAHINKV-HZMBPMFUSA-N 1 0 335.360 1.581 20 5 EDBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCO1 ZINC000423994578 252110781 /nfs/dbraw/zinc/11/07/81/252110781.db2.gz ISOPZWYLGMUETH-JTQLQIEISA-N 1 0 345.808 1.445 20 5 EDBDRO C[C@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@@H]1C[NH3+] ZINC000424025074 252118056 /nfs/dbraw/zinc/11/80/56/252118056.db2.gz WMUYNMXBPSHEDB-STQMWFEESA-N 1 0 343.387 1.837 20 5 EDBDRO COC(=O)COc1ccc(CN[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000424368193 252201678 /nfs/dbraw/zinc/20/16/78/252201678.db2.gz PDVVWCLAKWSNGZ-CHWSQXEVSA-N 1 0 337.376 1.506 20 5 EDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000569695477 306516436 /nfs/dbraw/zinc/51/64/36/306516436.db2.gz AJPKXXATFBRFBU-RKDXNWHRSA-N 1 0 340.405 1.028 20 5 EDBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000420252769 285102261 /nfs/dbraw/zinc/10/22/61/285102261.db2.gz BVACMPFQLOBHHJ-AWEZNQCLSA-N 1 0 327.388 1.627 20 5 EDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415679603 304254950 /nfs/dbraw/zinc/25/49/50/304254950.db2.gz PHKOWCSYZSJZNY-LDYMZIIASA-N 1 0 340.767 1.443 20 5 EDBDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000112549358 220347811 /nfs/dbraw/zinc/34/78/11/220347811.db2.gz QXFMAIPIFPVCRB-ZWNOBZJWSA-N 1 0 344.375 1.426 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH3+])C2CC2)cc1SC ZINC000159072108 533132822 /nfs/dbraw/zinc/13/28/22/533132822.db2.gz KIPVIYZOBAPPOL-JTQLQIEISA-N 1 0 325.390 1.792 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000154085827 224200385 /nfs/dbraw/zinc/20/03/85/224200385.db2.gz WIBCOVGWKQBJTP-YPMHNXCESA-N 1 0 329.360 1.711 20 5 EDBDRO Cc1c(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000118132230 221128106 /nfs/dbraw/zinc/12/81/06/221128106.db2.gz MDFBFQOLQHBNBE-UHFFFAOYSA-N 1 0 348.403 1.832 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(C)(C)C[NH+](C)C ZINC000118896855 221202166 /nfs/dbraw/zinc/20/21/66/221202166.db2.gz VGCUWIMARWQZSS-UHFFFAOYSA-N 1 0 336.392 1.546 20 5 EDBDRO NC(=O)[C@]1([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCOC1 ZINC000570579353 306545491 /nfs/dbraw/zinc/54/54/91/306545491.db2.gz LRYWEUZZOGPQMF-INIZCTEOSA-N 1 0 346.343 1.026 20 5 EDBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264128965 139381911 /nfs/dbraw/zinc/38/19/11/139381911.db2.gz LZQBYVHBYOKLMX-GFCCVEGCSA-N 1 0 329.422 1.745 20 5 EDBDRO Cn1cc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000264149890 139383100 /nfs/dbraw/zinc/38/31/00/139383100.db2.gz ZTACIFMYFWQSDH-WBVHZDCISA-N 1 0 346.387 1.905 20 5 EDBDRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000155597941 224441099 /nfs/dbraw/zinc/44/10/99/224441099.db2.gz FBLBQHWSZCXAPB-QWRGUYRKSA-N 1 0 325.340 1.664 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(CC[NH+](C)C)C1CC1 ZINC000347419239 291992881 /nfs/dbraw/zinc/99/28/81/291992881.db2.gz MHJKFHAGYXTGGL-UHFFFAOYSA-N 1 0 341.433 1.926 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)c1C ZINC000318768599 291994784 /nfs/dbraw/zinc/99/47/84/291994784.db2.gz AXILOOTUGJEAET-GFCCVEGCSA-N 1 0 327.406 1.632 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270233492 140064527 /nfs/dbraw/zinc/06/45/27/140064527.db2.gz AYWFTBKSZQESEJ-UHFFFAOYSA-N 1 0 338.408 1.405 20 5 EDBDRO Cc1cc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)cc([N+](=O)[O-])c1 ZINC000270307927 140077157 /nfs/dbraw/zinc/07/71/57/140077157.db2.gz ZLXLBMJBDLTANS-UHFFFAOYSA-N 1 0 344.371 1.879 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000270779339 140167321 /nfs/dbraw/zinc/16/73/21/140167321.db2.gz JNBJFOQYGLVYOD-LLVKDONJSA-N 1 0 340.811 1.614 20 5 EDBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1[N+](=O)[O-] ZINC000271674330 140331646 /nfs/dbraw/zinc/33/16/46/140331646.db2.gz ADVOQNIYYOSJRG-FZMZJTMJSA-N 1 0 349.347 1.720 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]([NH3+])[C@H]1C ZINC000297371923 140629479 /nfs/dbraw/zinc/62/94/79/140629479.db2.gz LTMABBZNSIMNIV-JTNHKYCSSA-N 1 0 334.376 1.051 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H](O)Cc2ccccc2)c1 ZINC000572001532 306579334 /nfs/dbraw/zinc/57/93/34/306579334.db2.gz HQRVFDCUFLGFSO-IAGOWNOFSA-N 1 0 346.383 1.528 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000331623376 141058303 /nfs/dbraw/zinc/05/83/03/141058303.db2.gz RILDYYPPBXXACX-HOTGVXAUSA-N 1 0 348.403 1.328 20 5 EDBDRO Cn1c(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000331711538 141071274 /nfs/dbraw/zinc/07/12/74/141071274.db2.gz DCRMAUHMECVAGM-ZDUSSCGKSA-N 1 0 336.392 1.118 20 5 EDBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331971658 141104884 /nfs/dbraw/zinc/10/48/84/141104884.db2.gz URJUUZBQKAGZOJ-CQSZACIVSA-N 1 0 335.408 1.829 20 5 EDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000332057092 141116238 /nfs/dbraw/zinc/11/62/38/141116238.db2.gz PATKBMNFKKUTBQ-LSDHHAIUSA-N 1 0 339.417 1.641 20 5 EDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000332228239 141143662 /nfs/dbraw/zinc/14/36/62/141143662.db2.gz CQXHWQXLWPRJML-STQMWFEESA-N 1 0 332.404 1.508 20 5 EDBDRO C[NH+](C)CC1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000332241766 141145521 /nfs/dbraw/zinc/14/55/21/141145521.db2.gz JFFHZRJOEXSQJF-UHFFFAOYSA-N 1 0 346.431 1.758 20 5 EDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000332498297 141191183 /nfs/dbraw/zinc/19/11/83/141191183.db2.gz QLWQVBVAIDTBMC-LBPRGKRZSA-N 1 0 349.387 1.970 20 5 EDBDRO Cc1c(NC(=O)CC[NH2+][C@H]2CCC(=O)NC2(C)C)cccc1[N+](=O)[O-] ZINC000338592640 141840746 /nfs/dbraw/zinc/84/07/46/141840746.db2.gz MIPJCZJGZNSSBD-AWEZNQCLSA-N 1 0 348.403 1.879 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H](O)CC1 ZINC000339778707 142153288 /nfs/dbraw/zinc/15/32/88/142153288.db2.gz DWISSCPYALQDPA-ZDUSSCGKSA-N 1 0 335.360 1.740 20 5 EDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000345810571 143136006 /nfs/dbraw/zinc/13/60/06/143136006.db2.gz AJPCOJLLYKTVAP-NWDGAFQWSA-N 1 0 337.376 1.616 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000346664683 143228575 /nfs/dbraw/zinc/22/85/75/143228575.db2.gz OFAXIGTVCBIQIS-DLOVCJGASA-N 1 0 334.376 1.283 20 5 EDBDRO CCC[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1CCOC ZINC000347580267 143337139 /nfs/dbraw/zinc/33/71/39/143337139.db2.gz LBRXYHUYQCLJSF-CYBMUJFWSA-N 1 0 325.413 1.261 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)c1 ZINC000572596297 306594166 /nfs/dbraw/zinc/59/41/66/306594166.db2.gz WDVGOIRXCKOTGT-OIISXLGYSA-N 1 0 346.387 1.662 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000572964868 306605889 /nfs/dbraw/zinc/60/58/89/306605889.db2.gz QEDQCZCFJKLZEY-CYBMUJFWSA-N 1 0 348.403 1.751 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cccc([N+](=O)[O-])c1 ZINC000369778940 155173615 /nfs/dbraw/zinc/17/36/15/155173615.db2.gz TWIIYWVOEQEIAY-BMFZPTHFSA-N 1 0 333.388 1.919 20 5 EDBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000352664038 149107202 /nfs/dbraw/zinc/10/72/02/149107202.db2.gz AQJYPNDRCLUZEC-HIFRSBDPSA-N 1 0 337.376 1.777 20 5 EDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCS(=O)(=O)N(C)C ZINC000353129886 149298544 /nfs/dbraw/zinc/29/85/44/149298544.db2.gz UGTCJOAZPYVWJP-XFXZXTDPSA-N 1 0 327.406 1.479 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)C[S@@](C)=O)cc1[N+](=O)[O-] ZINC000353211487 149326065 /nfs/dbraw/zinc/32/60/65/149326065.db2.gz UFBQKZAWOGKMRM-SDWAUSNYSA-N 1 0 344.389 1.003 20 5 EDBDRO COCC[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000355111728 150121925 /nfs/dbraw/zinc/12/19/25/150121925.db2.gz XUYUXESONIGWDN-UHFFFAOYSA-N 1 0 337.376 1.444 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000355339207 150224051 /nfs/dbraw/zinc/22/40/51/150224051.db2.gz GYMMZPISXZGHHQ-IRXDYDNUSA-N 1 0 347.415 1.849 20 5 EDBDRO COc1cc(C(=O)NCC[N@H+]2CC=C(C)CC2)c([N+](=O)[O-])cc1OC ZINC000355371050 150238873 /nfs/dbraw/zinc/23/88/73/150238873.db2.gz WRBCHRVLJSBWOD-UHFFFAOYSA-N 1 0 349.387 1.994 20 5 EDBDRO COC(=O)COc1ccc(CN2C[C@@H]3[NH2+]CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000355756116 150387226 /nfs/dbraw/zinc/38/72/26/150387226.db2.gz KNHGYRGCEFZZPV-KBPBESRZSA-N 1 0 349.387 1.330 20 5 EDBDRO COc1cc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000112511244 286194222 /nfs/dbraw/zinc/19/42/22/286194222.db2.gz KWPIFGYRKPBEBV-GHMZBOCLSA-N 1 0 337.376 1.811 20 5 EDBDRO CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[NH+]1CCC(C)CC1 ZINC000356157361 150535176 /nfs/dbraw/zinc/53/51/76/150535176.db2.gz UNVZVYGBPXUDHU-CQSZACIVSA-N 1 0 337.424 1.815 20 5 EDBDRO Nc1c(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000356526101 150677027 /nfs/dbraw/zinc/67/70/27/150677027.db2.gz BESRUISLPLUUBK-ZDUSSCGKSA-N 1 0 348.403 1.504 20 5 EDBDRO CCOC(=O)[C@@](C)(O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000357438061 151032580 /nfs/dbraw/zinc/03/25/80/151032580.db2.gz HTQNFXPMIBERPZ-INIZCTEOSA-N 1 0 333.344 1.599 20 5 EDBDRO C[C@@H]([NH2+]CCn1nc2ccccn2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000358099670 151270714 /nfs/dbraw/zinc/27/07/14/151270714.db2.gz OYSDWTWGAYGYHP-GFCCVEGCSA-N 1 0 327.344 1.755 20 5 EDBDRO C[N@@H+]1CC[C@@](O)(CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000358335111 151341244 /nfs/dbraw/zinc/34/12/44/151341244.db2.gz YSFZNCLOBHUIDZ-LLVKDONJSA-N 1 0 331.170 1.231 20 5 EDBDRO CO[C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C[NH3+])C1 ZINC000359046412 151577943 /nfs/dbraw/zinc/57/79/43/151577943.db2.gz RSEVVVYEOBWWJT-KGLIPLIRSA-N 1 0 347.375 1.583 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NC[C@H](C2CC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000360564572 152099224 /nfs/dbraw/zinc/09/92/24/152099224.db2.gz YEZOABDQDRDWDC-OAHLLOKOSA-N 1 0 348.403 1.089 20 5 EDBDRO O=C1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)c2cc(F)ccc2N1 ZINC000360710628 152164740 /nfs/dbraw/zinc/16/47/40/152164740.db2.gz IBXYDBZOZSEQHT-CYBMUJFWSA-N 1 0 333.323 1.994 20 5 EDBDRO O=[N+]([O-])c1cnccc1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000361061851 152292810 /nfs/dbraw/zinc/29/28/10/152292810.db2.gz JKNLKDHWEGDLSP-INIZCTEOSA-N 1 0 342.399 1.981 20 5 EDBDRO CN(C(=O)CN1CC[C@H]2CC[N@H+](C)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000370148814 155348018 /nfs/dbraw/zinc/34/80/18/155348018.db2.gz CMXMHNIFFKHNPC-CZUORRHYSA-N 1 0 332.404 1.584 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000417178062 304380723 /nfs/dbraw/zinc/38/07/23/304380723.db2.gz DMKNEOKUXDEBCU-QWHCGFSZSA-N 1 0 334.376 1.497 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000363642249 153020171 /nfs/dbraw/zinc/02/01/71/153020171.db2.gz XSOCNCITGHWYRT-GFCCVEGCSA-N 1 0 330.348 1.191 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCNC(=O)C[C@H]1C ZINC000369419235 155022535 /nfs/dbraw/zinc/02/25/35/155022535.db2.gz QPMPKCGUTZVFPY-GFCCVEGCSA-N 1 0 334.376 1.442 20 5 EDBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2CCn3ccnc3C2)c1[N+](=O)[O-] ZINC000369493068 155057274 /nfs/dbraw/zinc/05/72/74/155057274.db2.gz JRBKJHDSPYOQHI-SNVBAGLBSA-N 1 0 332.364 1.459 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371245830 155845393 /nfs/dbraw/zinc/84/53/93/155845393.db2.gz YXRRQQAUVWNSDS-CZUORRHYSA-N 1 0 333.388 1.964 20 5 EDBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000372337753 156341707 /nfs/dbraw/zinc/34/17/07/156341707.db2.gz DZJSLJBUMKELJD-ZDUSSCGKSA-N 1 0 329.360 1.664 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1CO ZINC000373810984 157014199 /nfs/dbraw/zinc/01/41/99/157014199.db2.gz CXSRMLDAMLLAFB-KDOFPFPSSA-N 1 0 343.383 1.642 20 5 EDBDRO C[C@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000374152901 157166667 /nfs/dbraw/zinc/16/66/67/157166667.db2.gz CLJWQONKFXCOJE-WMLDXEAASA-N 1 0 334.420 1.436 20 5 EDBDRO Cn1ccnc1[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374332503 157247405 /nfs/dbraw/zinc/24/74/05/157247405.db2.gz SCILBXOGFNOZFD-NSHDSACASA-N 1 0 348.334 1.862 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000377994551 158050139 /nfs/dbraw/zinc/05/01/39/158050139.db2.gz UWELVSKKERRYSG-LSDHHAIUSA-N 1 0 335.360 1.209 20 5 EDBDRO CC[NH+](CC)CCS(=O)(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000352326796 162118901 /nfs/dbraw/zinc/11/89/01/162118901.db2.gz OCTDNXDJDRXMEG-UHFFFAOYSA-N 1 0 345.421 1.365 20 5 EDBDRO C[C@@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000418085286 304456270 /nfs/dbraw/zinc/45/62/70/304456270.db2.gz VATZRAMIKLTFAO-GHMZBOCLSA-N 1 0 346.391 1.658 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCN1CCCC1=O ZINC000112703658 287341404 /nfs/dbraw/zinc/34/14/04/287341404.db2.gz DASKFLKYKBAXFH-UHFFFAOYSA-N 1 0 348.403 1.786 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000158564590 225044475 /nfs/dbraw/zinc/04/44/75/225044475.db2.gz KXJXJTOZMWAGIC-GXSJLCMTSA-N 1 0 327.768 1.965 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000160241728 225370409 /nfs/dbraw/zinc/37/04/09/225370409.db2.gz GXUKZQVALDRGIV-YPMHNXCESA-N 1 0 328.376 1.899 20 5 EDBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000122241438 222045119 /nfs/dbraw/zinc/04/51/19/222045119.db2.gz OIDXRXDOSBJZJS-AWEZNQCLSA-N 1 0 334.420 1.598 20 5 EDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000122335154 222063674 /nfs/dbraw/zinc/06/36/74/222063674.db2.gz QZLCYUHLTJDDRE-IUODEOHRSA-N 1 0 346.387 1.476 20 5 EDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418432277 304494953 /nfs/dbraw/zinc/49/49/53/304494953.db2.gz TYBYYVSKAQKMPV-BLLLJJGKSA-N 1 0 348.403 1.885 20 5 EDBDRO CCC1(CC)[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)[C@@H]1OC ZINC000191402700 267814712 /nfs/dbraw/zinc/81/47/12/267814712.db2.gz BUTOMLSZYVGDBO-MHEUCROKSA-N 1 0 340.424 1.582 20 5 EDBDRO Cc1nn(C)c(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000273262366 268008408 /nfs/dbraw/zinc/00/84/08/268008408.db2.gz WDNRAPIYNSYURG-HNNXBMFYSA-N 1 0 345.403 1.815 20 5 EDBDRO CS[C@@H]1CN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000273518871 268056458 /nfs/dbraw/zinc/05/64/58/268056458.db2.gz PCMSIKBCIGBREA-WDEREUQCSA-N 1 0 339.421 1.278 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000276010468 268390784 /nfs/dbraw/zinc/39/07/84/268390784.db2.gz HDJZKLZDEPCHSJ-LBPRGKRZSA-N 1 0 346.387 1.608 20 5 EDBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cnn(C)c1 ZINC000273244032 273035455 /nfs/dbraw/zinc/03/54/55/273035455.db2.gz AWRRJDJQONDBJA-LLVKDONJSA-N 1 0 329.360 1.568 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000274418964 273089016 /nfs/dbraw/zinc/08/90/16/273089016.db2.gz NVUVBUYKASJATE-UHFFFAOYSA-N 1 0 326.353 1.039 20 5 EDBDRO CN(CC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000173007164 272932906 /nfs/dbraw/zinc/93/29/06/272932906.db2.gz SOEWCPNAFSRCRS-AWEZNQCLSA-N 1 0 332.404 1.728 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000277291293 273188171 /nfs/dbraw/zinc/18/81/71/273188171.db2.gz ZOFKKPLUULZBNK-LLVKDONJSA-N 1 0 342.421 1.163 20 5 EDBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C2)CC1 ZINC000278178674 273252428 /nfs/dbraw/zinc/25/24/28/273252428.db2.gz ZMVHOZQTURDFHE-GFCCVEGCSA-N 1 0 334.376 1.499 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@](C)(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000280696828 273387020 /nfs/dbraw/zinc/38/70/20/273387020.db2.gz ICGZISBKAPMQQM-MRXNPFEDSA-N 1 0 334.376 1.429 20 5 EDBDRO CN(CCC[NH+]1CCCC1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000281670956 273510442 /nfs/dbraw/zinc/51/04/42/273510442.db2.gz JVDYHXKDVOQEOC-UHFFFAOYSA-N 1 0 348.403 1.269 20 5 EDBDRO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)NCCF ZINC000282566681 273679338 /nfs/dbraw/zinc/67/93/38/273679338.db2.gz FAWRSFADSJGYEY-LLVKDONJSA-N 1 0 349.366 1.559 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000365231517 273806564 /nfs/dbraw/zinc/80/65/64/273806564.db2.gz NOQPOFLUCMZFOM-LLVKDONJSA-N 1 0 342.421 1.163 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000377121592 273999031 /nfs/dbraw/zinc/99/90/31/273999031.db2.gz WHBYTODYQUTLLN-LBPRGKRZSA-N 1 0 334.376 1.759 20 5 EDBDRO CCOc1cc(CN2CCO[C@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000284818520 274344988 /nfs/dbraw/zinc/34/49/88/274344988.db2.gz LMTHXFDRFBSGBE-CVEARBPZSA-N 1 0 335.404 1.898 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000342924094 274755836 /nfs/dbraw/zinc/75/58/36/274755836.db2.gz CQCNKGGGVVGPMX-LBPRGKRZSA-N 1 0 327.406 1.795 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCSC3)CC2)c2nonc21 ZINC000366036094 275036398 /nfs/dbraw/zinc/03/63/98/275036398.db2.gz XYNIATGWFVIEMU-JTQLQIEISA-N 1 0 335.389 1.759 20 5 EDBDRO COCC[NH+]1CCC(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000255135455 287831119 /nfs/dbraw/zinc/83/11/19/287831119.db2.gz BPXVLLBZKHQABF-DAXSKMNVSA-N 1 0 333.388 1.835 20 5 EDBDRO CC[C@@H](O)C[NH+]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000255374039 287838490 /nfs/dbraw/zinc/83/84/90/287838490.db2.gz NAIORQXTPXMFQS-MWWKQMNYSA-N 1 0 333.388 1.523 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000081095476 276225363 /nfs/dbraw/zinc/22/53/63/276225363.db2.gz HRFDXRXKYBCXBJ-DOMZBBRYSA-N 1 0 334.420 1.856 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3c(C)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000355378392 276234961 /nfs/dbraw/zinc/23/49/61/276234961.db2.gz CDWYFXVLUXVBIJ-HUUCEWRRSA-N 1 0 333.388 1.838 20 5 EDBDRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000186725634 276363476 /nfs/dbraw/zinc/36/34/76/276363476.db2.gz ZTKJWFXYRJKFHZ-WMLDXEAASA-N 1 0 335.404 1.786 20 5 EDBDRO C[N@@H+]1CC[C@@]2(CCN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000366518253 277160673 /nfs/dbraw/zinc/16/06/73/277160673.db2.gz IAMVEZKHGOSUGM-SJLPKXTDSA-N 1 0 344.415 1.728 20 5 EDBDRO C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000262412543 277756103 /nfs/dbraw/zinc/75/61/03/277756103.db2.gz DFMCWGYECOWRBY-KOLCDFICSA-N 1 0 347.824 1.996 20 5 EDBDRO C[C@@H](C[NH3+])NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420427298 278250700 /nfs/dbraw/zinc/25/07/00/278250700.db2.gz QYCLHNWXMQDRAQ-LURJTMIESA-N 1 0 327.284 1.239 20 5 EDBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000359990811 279120217 /nfs/dbraw/zinc/12/02/17/279120217.db2.gz DLLAWLGYGOASGW-GFCCVEGCSA-N 1 0 329.422 1.745 20 5 EDBDRO C[C@H](C[NH3+])N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420461198 279293181 /nfs/dbraw/zinc/29/31/81/279293181.db2.gz RUJAYHSSQBUMKN-SSDOTTSWSA-N 1 0 341.311 1.581 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000287218326 288183735 /nfs/dbraw/zinc/18/37/35/288183735.db2.gz IPWLHKOMGOBARJ-LBPRGKRZSA-N 1 0 334.376 1.841 20 5 EDBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000236821838 282075971 /nfs/dbraw/zinc/07/59/71/282075971.db2.gz MWJCKGQVKFMSHX-UHFFFAOYSA-N 1 0 331.394 1.399 20 5 EDBDRO CCc1nn(C)c(Sc2nnc(CC[NH3+])n2CC)c1[N+](=O)[O-] ZINC000288781025 288565000 /nfs/dbraw/zinc/56/50/00/288565000.db2.gz FDIVXTHVURXYOK-UHFFFAOYSA-N 1 0 325.398 1.155 20 5 EDBDRO Cc1c(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000291734821 289165433 /nfs/dbraw/zinc/16/54/33/289165433.db2.gz ADKXFNAABSVOHO-GWCFXTLKSA-N 1 0 334.332 1.635 20 5 EDBDRO C[N@@H+]1CC[C@]2(CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C2)C1 ZINC000292337428 289319847 /nfs/dbraw/zinc/31/98/47/289319847.db2.gz PVRNCUQMIXRZGG-INIZCTEOSA-N 1 0 329.360 1.776 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000292456086 289352085 /nfs/dbraw/zinc/35/20/85/289352085.db2.gz LJGRDSOGJAAGMC-ZYHUDNBSSA-N 1 0 334.332 1.635 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C[NH3+])CC(C)C ZINC000237205923 295255393 /nfs/dbraw/zinc/25/53/93/295255393.db2.gz OROLWVBUXQYXGP-SNVBAGLBSA-N 1 0 331.394 1.255 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(CN3C[C@H]4CCC[C@@H](C3)[NH2+]4)n2)cc1 ZINC000420410582 304756391 /nfs/dbraw/zinc/75/63/91/304756391.db2.gz XZFXVVSXEOVDCX-BETUJISGSA-N 1 0 329.360 1.971 20 5 EDBDRO C[C@H](CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C[NH+](C)C ZINC000293719844 303008825 /nfs/dbraw/zinc/00/88/25/303008825.db2.gz JWBUBYKGGLXTNO-IAQYHMDHSA-N 1 0 334.376 1.402 20 5 EDBDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000293769907 303016112 /nfs/dbraw/zinc/01/61/12/303016112.db2.gz VSORGAUMKAXBBC-QMTHXVAHSA-N 1 0 341.795 1.775 20 5 EDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCc1cnn(C)n1 ZINC000293793443 303019764 /nfs/dbraw/zinc/01/97/64/303019764.db2.gz UNTIKIROFDAQRF-LBPRGKRZSA-N 1 0 346.391 1.663 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000295344981 303207461 /nfs/dbraw/zinc/20/74/61/303207461.db2.gz NRENRTSWTPDPKW-INIZCTEOSA-N 1 0 348.359 1.979 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000262356853 303462154 /nfs/dbraw/zinc/46/21/54/303462154.db2.gz VYNWRCFKOQMAIZ-IJLUTSLNSA-N 1 0 325.390 1.343 20 5 EDBDRO COC[C@]1(CNC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000423632468 304902521 /nfs/dbraw/zinc/90/25/21/304902521.db2.gz JVECOKADBGVCNQ-MRXNPFEDSA-N 1 0 337.376 1.410 20 5 EDBDRO [NH3+][C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1F ZINC000424041039 304926095 /nfs/dbraw/zinc/92/60/95/304926095.db2.gz SIFBAEAHOFNFDR-DZGCQCFKSA-N 1 0 347.350 1.274 20 5 EDBDRO O=C(CN1CC[C@H]2[NH2+]CC[C@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000428033390 305004445 /nfs/dbraw/zinc/00/44/45/305004445.db2.gz MNPAOAZZAXCYDK-CMPLNLGQSA-N 1 0 338.795 1.871 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428044904 305005446 /nfs/dbraw/zinc/00/54/46/305005446.db2.gz NXUUOYOREMKCAJ-CZUORRHYSA-N 1 0 332.404 1.916 20 5 EDBDRO COc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc([N+](=O)[O-])c1OC ZINC000428121805 305007616 /nfs/dbraw/zinc/00/76/16/305007616.db2.gz YTFAFLMPUNPRPV-PWSUYJOCSA-N 1 0 337.376 1.954 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429017163 305022604 /nfs/dbraw/zinc/02/26/04/305022604.db2.gz DSFQHXWFTCHZEZ-QGZVFWFLSA-N 1 0 332.404 1.869 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000430567730 305056228 /nfs/dbraw/zinc/05/62/28/305056228.db2.gz GDBSRAQHMSYCEJ-OCCSQVGLSA-N 1 0 332.404 1.543 20 5 EDBDRO COc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430644791 305060999 /nfs/dbraw/zinc/06/09/99/305060999.db2.gz ZHMKXISYTVNEKB-VXGBXAGGSA-N 1 0 336.392 1.601 20 5 EDBDRO COc1cc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000433203514 305102971 /nfs/dbraw/zinc/10/29/71/305102971.db2.gz CBAOXMMKMARGLV-MEBBXXQBSA-N 1 0 326.349 1.242 20 5 EDBDRO COc1ccc(CNC(=O)C[C@@H]2CSCC[NH2+]2)cc1[N+](=O)[O-] ZINC000434874723 305131955 /nfs/dbraw/zinc/13/19/55/305131955.db2.gz QQYGLXXWIRZGGX-LLVKDONJSA-N 1 0 325.390 1.315 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000440428891 305206549 /nfs/dbraw/zinc/20/65/49/305206549.db2.gz QRUJIBQCNWYILS-RYUDHWBXSA-N 1 0 327.406 1.651 20 5 EDBDRO C[C@@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000447815586 305286160 /nfs/dbraw/zinc/28/61/60/305286160.db2.gz GNGSWSRIRVVXNS-RDTXWAMCSA-N 1 0 348.447 1.813 20 5 EDBDRO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000448923306 305304260 /nfs/dbraw/zinc/30/42/60/305304260.db2.gz UJRZCFOWHDCQSI-CQSZACIVSA-N 1 0 341.371 1.905 20 5 EDBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C(C)(C)C(N)=O ZINC000451133903 305332180 /nfs/dbraw/zinc/33/21/80/305332180.db2.gz FKELWYDTAPKVSW-UHFFFAOYSA-N 1 0 336.348 1.089 20 5 EDBDRO CO[C@@H]1C[C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000451512430 305350388 /nfs/dbraw/zinc/35/03/88/305350388.db2.gz XNNKHAOREMUYAD-LSDHHAIUSA-N 1 0 333.388 1.887 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000516971038 305745653 /nfs/dbraw/zinc/74/56/53/305745653.db2.gz SJJPKYRKUMVWNE-CYBMUJFWSA-N 1 0 348.403 1.221 20 5 EDBDRO C[C@H]1CN(CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCO1 ZINC000534984588 306009770 /nfs/dbraw/zinc/00/97/70/306009770.db2.gz JEQFMOOCFNKOLC-NSHDSACASA-N 1 0 332.360 1.527 20 5 EDBDRO CS[C@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000539198952 306034844 /nfs/dbraw/zinc/03/48/44/306034844.db2.gz XULBFQGSRMSMFD-KGLIPLIRSA-N 1 0 349.416 1.725 20 5 EDBDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000548738766 306136382 /nfs/dbraw/zinc/13/63/82/306136382.db2.gz LGJYNRAXSFDQDD-CYBMUJFWSA-N 1 0 329.360 1.712 20 5 EDBDRO C[C@H](NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000449208527 447370450 /nfs/dbraw/zinc/37/04/50/447370450.db2.gz POGCMHNHTDTVMQ-WCQYABFASA-N 1 0 344.375 1.429 20 5 EDBDRO CC(C)c1ccc(C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000449409229 447371635 /nfs/dbraw/zinc/37/16/35/447371635.db2.gz RXFBPGYKSBKIEW-OAHLLOKOSA-N 1 0 342.417 1.357 20 5 EDBDRO COC(=O)COc1ccc(CN[C@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000414961745 447375236 /nfs/dbraw/zinc/37/52/36/447375236.db2.gz WCPWBYBWVHMSED-AAEUAGOBSA-N 1 0 337.376 1.377 20 5 EDBDRO CN1CC[NH2+]C[C@H]1CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414970517 447380669 /nfs/dbraw/zinc/38/06/69/447380669.db2.gz UZIXWXVOZSMXIN-LBPRGKRZSA-N 1 0 330.335 1.189 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc([N+](=O)[O-])c1OC ZINC000449670700 447382783 /nfs/dbraw/zinc/38/27/83/447382783.db2.gz XUXXSKIVUUDKQZ-LLVKDONJSA-N 1 0 345.302 1.339 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000415427250 447428071 /nfs/dbraw/zinc/42/80/71/447428071.db2.gz BQUTYDYVHAKCQI-VXGBXAGGSA-N 1 0 334.376 1.428 20 5 EDBDRO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000104748834 441204124 /nfs/dbraw/zinc/20/41/24/441204124.db2.gz YOXQCZUHBMGMOX-SNVBAGLBSA-N 1 0 347.824 1.820 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000104748197 441204262 /nfs/dbraw/zinc/20/42/62/441204262.db2.gz CMDOYBVNWQVLAF-LBPRGKRZSA-N 1 0 327.406 1.475 20 5 EDBDRO COCC[NH+]1CCC(NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000104867589 441217381 /nfs/dbraw/zinc/21/73/81/441217381.db2.gz RDFKBDXTYXVQAL-UHFFFAOYSA-N 1 0 336.392 1.326 20 5 EDBDRO C[NH+]1CCC(CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000073062505 441290217 /nfs/dbraw/zinc/29/02/17/441290217.db2.gz YQPFGUOXHUPGJW-UHFFFAOYSA-N 1 0 349.387 1.367 20 5 EDBDRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000062506134 441303619 /nfs/dbraw/zinc/30/36/19/441303619.db2.gz QQEXRHWANZLQCG-AWEZNQCLSA-N 1 0 349.435 1.767 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000073842138 441359324 /nfs/dbraw/zinc/35/93/24/441359324.db2.gz XXWHJBVIVIAORF-GFCCVEGCSA-N 1 0 339.417 1.666 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC(=O)NC(C)C ZINC000026259528 441372120 /nfs/dbraw/zinc/37/21/20/441372120.db2.gz SZBRLGOKFYKJHC-UHFFFAOYSA-N 1 0 336.392 1.688 20 5 EDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000052693707 441469117 /nfs/dbraw/zinc/46/91/17/441469117.db2.gz TVTAKMOXTXVBGN-QWHCGFSZSA-N 1 0 341.433 1.917 20 5 EDBDRO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000108406633 441451907 /nfs/dbraw/zinc/45/19/07/441451907.db2.gz AAZVEORWNUYXMB-NSHDSACASA-N 1 0 343.405 1.224 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000108450880 441454802 /nfs/dbraw/zinc/45/48/02/441454802.db2.gz TVWJUSOWFZQHSO-LBPRGKRZSA-N 1 0 334.376 1.786 20 5 EDBDRO C[N@@H+]1CCC[C@@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000052589064 441463264 /nfs/dbraw/zinc/46/32/64/441463264.db2.gz HCEGRALSNHNJPQ-CQSZACIVSA-N 1 0 347.419 1.521 20 5 EDBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000031825481 441539681 /nfs/dbraw/zinc/53/96/81/441539681.db2.gz VQWBTRRHJFIYRK-NSHDSACASA-N 1 0 337.376 1.826 20 5 EDBDRO Nc1cc(N)[nH+]c(SCCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000031820603 441539687 /nfs/dbraw/zinc/53/96/87/441539687.db2.gz URUFAYROVXZZCK-UHFFFAOYSA-N 1 0 334.361 1.670 20 5 EDBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCCN3CCOCC3)CC2)c1 ZINC000075626843 441543053 /nfs/dbraw/zinc/54/30/53/441543053.db2.gz ZQQGPHRSSLFNHY-UHFFFAOYSA-N 1 0 334.420 1.439 20 5 EDBDRO COCCC[N@H+](CCOC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000054365506 441573998 /nfs/dbraw/zinc/57/39/98/441573998.db2.gz KIYCCWKWJKMPKD-HNNXBMFYSA-N 1 0 342.392 1.319 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000113453069 441609461 /nfs/dbraw/zinc/60/94/61/441609461.db2.gz PCCYKCJLERJXBJ-STQMWFEESA-N 1 0 348.403 1.123 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000067274395 441623165 /nfs/dbraw/zinc/62/31/65/441623165.db2.gz LOWHRNGAQDYKER-AWEZNQCLSA-N 1 0 344.375 1.342 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000067703058 441669459 /nfs/dbraw/zinc/66/94/59/441669459.db2.gz HWSWANGHKBLIFF-LLVKDONJSA-N 1 0 349.387 1.969 20 5 EDBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000068126696 441738847 /nfs/dbraw/zinc/73/88/47/441738847.db2.gz QXVSYMOZFYSABO-AWEZNQCLSA-N 1 0 337.424 1.810 20 5 EDBDRO CC(C)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000042581359 441754885 /nfs/dbraw/zinc/75/48/85/441754885.db2.gz GRNVIXBFNBAUDG-KRWDZBQOSA-N 1 0 348.447 1.526 20 5 EDBDRO CC[NH+](CC)CCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000042845637 441791207 /nfs/dbraw/zinc/79/12/07/441791207.db2.gz KGJMRHVNXZSAOB-UHFFFAOYSA-N 1 0 349.435 1.768 20 5 EDBDRO CC[NH+]1CCN(CCNc2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000092606284 441812421 /nfs/dbraw/zinc/81/24/21/441812421.db2.gz XMWJSJVFNRQTKD-UHFFFAOYSA-N 1 0 326.372 1.792 20 5 EDBDRO Nc1nc(Nc2cnn(CC[NH+]3CCCCC3)c2)ncc1[N+](=O)[O-] ZINC000092978345 441845105 /nfs/dbraw/zinc/84/51/05/441845105.db2.gz LGWVEHVFYIUSNU-UHFFFAOYSA-N 1 0 332.368 1.393 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000174313446 441911652 /nfs/dbraw/zinc/91/16/52/441911652.db2.gz YUPARLAQOBYRLX-JYASZMECSA-N 1 0 333.388 1.522 20 5 EDBDRO COc1ccc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000161231722 441974565 /nfs/dbraw/zinc/97/45/65/441974565.db2.gz HJJBXYMPVOLQQP-GFCCVEGCSA-N 1 0 345.421 1.597 20 5 EDBDRO O=C(CC1CCCC1)NC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174854837 441975613 /nfs/dbraw/zinc/97/56/13/441975613.db2.gz RQNUMEYBAVMAJD-UHFFFAOYSA-N 1 0 349.435 1.952 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150746320 441941365 /nfs/dbraw/zinc/94/13/65/441941365.db2.gz FYTZUSFTRBEPTK-CQSZACIVSA-N 1 0 348.403 1.233 20 5 EDBDRO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000125108590 441985007 /nfs/dbraw/zinc/98/50/07/441985007.db2.gz XTJJDFKXPCEQSD-IUCAKERBSA-N 1 0 333.797 1.796 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC1 ZINC000079031444 442010872 /nfs/dbraw/zinc/01/08/72/442010872.db2.gz IFVBAKWFGONAJK-MRXNPFEDSA-N 1 0 343.387 1.851 20 5 EDBDRO Cc1c(Br)cc(C(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000162735046 442118757 /nfs/dbraw/zinc/11/87/57/442118757.db2.gz LNWURZGHNXNTNH-UHFFFAOYSA-N 1 0 330.182 1.957 20 5 EDBDRO COc1ccc(C(=O)NCC[NH+]2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000079999684 442105229 /nfs/dbraw/zinc/10/52/29/442105229.db2.gz HGQPJYYFTMDBRW-UHFFFAOYSA-N 1 0 337.376 1.444 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCC(OC)CC2)c1 ZINC000080000157 442105282 /nfs/dbraw/zinc/10/52/82/442105282.db2.gz XFFTYKDLVQEQHG-UHFFFAOYSA-N 1 0 337.376 1.444 20 5 EDBDRO Cc1nn(C)c(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000128561653 442275053 /nfs/dbraw/zinc/27/50/53/442275053.db2.gz UQGJWRJPAXACPK-GRYCIOLGSA-N 1 0 337.424 1.733 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177264758 442322508 /nfs/dbraw/zinc/32/25/08/442322508.db2.gz MAPICXDEFQKSBU-UHFFFAOYSA-N 1 0 335.408 1.705 20 5 EDBDRO COc1cc(OCC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000177168792 442308781 /nfs/dbraw/zinc/30/87/81/442308781.db2.gz BTKGRHSNGDSLNF-NEPJUHHUSA-N 1 0 349.387 1.724 20 5 EDBDRO COc1cc(OCC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000177168821 442308834 /nfs/dbraw/zinc/30/88/34/442308834.db2.gz BTKGRHSNGDSLNF-VXGBXAGGSA-N 1 0 349.387 1.724 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000172017516 442399973 /nfs/dbraw/zinc/39/99/73/442399973.db2.gz RBHAILSYGWDXSQ-UHFFFAOYSA-N 1 0 341.433 1.913 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000172078017 442407130 /nfs/dbraw/zinc/40/71/30/442407130.db2.gz LKOMZEZXLSSJES-NSHDSACASA-N 1 0 343.405 1.176 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178108891 442408330 /nfs/dbraw/zinc/40/83/30/442408330.db2.gz OGKBOCUAMIYHLB-CYBMUJFWSA-N 1 0 334.376 1.093 20 5 EDBDRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000156160253 442451934 /nfs/dbraw/zinc/45/19/34/442451934.db2.gz QOPFDIIHZVIIAZ-DTWKUNHWSA-N 1 0 333.797 1.749 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@@H]1CCOC1 ZINC000178786880 442485903 /nfs/dbraw/zinc/48/59/03/442485903.db2.gz IXZDGRYYMNOSSQ-LBPRGKRZSA-N 1 0 337.376 1.900 20 5 EDBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](CO)C(C)(C)C ZINC000134372362 442474153 /nfs/dbraw/zinc/47/41/53/442474153.db2.gz YYLONJXBNPMYSA-HNNXBMFYSA-N 1 0 335.404 1.823 20 5 EDBDRO C[C@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000178980485 442543831 /nfs/dbraw/zinc/54/38/31/442543831.db2.gz OYSJNRNVOOXUPZ-SMDDNHRTSA-N 1 0 327.406 1.781 20 5 EDBDRO CCCN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CC[NH2+]C1 ZINC000178921234 442525680 /nfs/dbraw/zinc/52/56/80/442525680.db2.gz UDIAVLVSDMFDPU-GFCCVEGCSA-N 1 0 344.371 1.650 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH3+])C2)cc1SC ZINC000157879545 442623627 /nfs/dbraw/zinc/62/36/27/442623627.db2.gz UUVLMSXYTMOJSU-VIFPVBQESA-N 1 0 325.390 1.889 20 5 EDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)C[C@H]2C1 ZINC000192535673 442660090 /nfs/dbraw/zinc/66/00/90/442660090.db2.gz VDTGFSFFJFCFOT-BETUJISGSA-N 1 0 341.371 1.414 20 5 EDBDRO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000193430135 442742269 /nfs/dbraw/zinc/74/22/69/442742269.db2.gz NMUXYISJDSTYHN-ZBEGNZNMSA-N 1 0 347.375 1.461 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000181698058 442710572 /nfs/dbraw/zinc/71/05/72/442710572.db2.gz ALMHKKIPOTWWQM-LSDHHAIUSA-N 1 0 335.404 1.505 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CO)C(C)(C)C ZINC000265426227 442768424 /nfs/dbraw/zinc/76/84/24/442768424.db2.gz LBRPBGGMBNDGPF-AWEZNQCLSA-N 1 0 339.392 1.929 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1C ZINC000248561789 442900339 /nfs/dbraw/zinc/90/03/39/442900339.db2.gz AYWMQGLSNTVCDD-RWMBFGLXSA-N 1 0 339.417 1.569 20 5 EDBDRO C[C@@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000268279830 442929933 /nfs/dbraw/zinc/92/99/33/442929933.db2.gz WCBTVJNBROMUAV-BDJLRTHQSA-N 1 0 332.404 1.873 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000265815942 442931897 /nfs/dbraw/zinc/93/18/97/442931897.db2.gz VPQAYRXTPQTPBG-HUUCEWRRSA-N 1 0 345.403 1.623 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000249188899 442958646 /nfs/dbraw/zinc/95/86/46/442958646.db2.gz OUJIXROEIAPZCU-OCCSQVGLSA-N 1 0 348.403 1.640 20 5 EDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000189467069 442961353 /nfs/dbraw/zinc/96/13/53/442961353.db2.gz FYXFAMZOVRGARD-CQSZACIVSA-N 1 0 337.420 1.751 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000265960984 442985705 /nfs/dbraw/zinc/98/57/05/442985705.db2.gz GQXUYBRGQLXPMC-UHFFFAOYSA-N 1 0 334.376 1.774 20 5 EDBDRO CN(C)C(=O)CC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000268525733 443020874 /nfs/dbraw/zinc/02/08/74/443020874.db2.gz XRYLWIOUFZVTOF-UHFFFAOYSA-N 1 0 338.383 1.330 20 5 EDBDRO CC[C@@H](C)[NH+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000296237927 318678473 /nfs/dbraw/zinc/67/84/73/318678473.db2.gz WWVQWGNDLIYBRN-CQSZACIVSA-N 1 0 346.431 1.900 20 5 EDBDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000266158598 443039224 /nfs/dbraw/zinc/03/92/24/443039224.db2.gz GUUFTWZHQSHNPB-SECBINFHSA-N 1 0 335.813 1.867 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](CCO)c2ccco2)c1 ZINC000185102800 443137745 /nfs/dbraw/zinc/13/77/45/443137745.db2.gz UDFZTKHNHFOXQI-DZGCQCFKSA-N 1 0 336.344 1.641 20 5 EDBDRO C[NH+](C)CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000298204965 318800326 /nfs/dbraw/zinc/80/03/26/318800326.db2.gz OHMZTGSAWYMKMT-UHFFFAOYSA-N 1 0 342.421 1.353 20 5 EDBDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000238047389 443193860 /nfs/dbraw/zinc/19/38/60/443193860.db2.gz VFUJHCDYHCWHBO-SECBINFHSA-N 1 0 328.166 1.921 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000299452118 318904778 /nfs/dbraw/zinc/90/47/78/318904778.db2.gz WVCPXVGSTRQUCV-UHFFFAOYSA-N 1 0 335.408 1.727 20 5 EDBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C[C@@H]12 ZINC000185195670 443158666 /nfs/dbraw/zinc/15/86/66/443158666.db2.gz YPDSIIBTJMKLLD-FZQKWOKYSA-N 1 0 342.355 1.246 20 5 EDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000269169615 443220237 /nfs/dbraw/zinc/22/02/37/443220237.db2.gz STUSPAONYJFCTP-ZETCQYMHSA-N 1 0 346.156 1.917 20 5 EDBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000185627071 443229685 /nfs/dbraw/zinc/22/96/85/443229685.db2.gz YHGUZARJFJJNID-AWEZNQCLSA-N 1 0 349.435 1.420 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2cc(O)cc(F)c2)cc1 ZINC000185538969 443216244 /nfs/dbraw/zinc/21/62/44/443216244.db2.gz YDPZYRHDAAAKJM-HZPDHXFCSA-N 1 0 336.319 1.624 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000411354600 319177696 /nfs/dbraw/zinc/17/76/96/319177696.db2.gz JIMSIXHAHABWRX-CHWSQXEVSA-N 1 0 348.403 1.749 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](CO)[C@H]2C)c([N+](=O)[O-])c1 ZINC000411650570 319192418 /nfs/dbraw/zinc/19/24/18/319192418.db2.gz BXRBHODLYZOUOT-VXGBXAGGSA-N 1 0 337.376 1.635 20 5 EDBDRO COc1cc(C[NH2+][C@H](CO)[C@H]2CCCOC2)c([N+](=O)[O-])cc1F ZINC000411986332 319218690 /nfs/dbraw/zinc/21/86/90/319218690.db2.gz KJZNQJGCINBIRK-GXFFZTMASA-N 1 0 328.340 1.620 20 5 EDBDRO C[NH+]1CCC(O)(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000267013037 443313532 /nfs/dbraw/zinc/31/35/32/443313532.db2.gz BTQMVJNVVQBYLS-UHFFFAOYSA-N 1 0 341.795 1.364 20 5 EDBDRO C[NH+]1CCC(O)(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000267147438 443358319 /nfs/dbraw/zinc/35/83/19/443358319.db2.gz RBUADVILMPPZBV-UHFFFAOYSA-N 1 0 335.404 1.445 20 5 EDBDRO C[N@H+](CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000269608590 443363695 /nfs/dbraw/zinc/36/36/95/443363695.db2.gz JRMRGDGESWETFP-UHFFFAOYSA-N 1 0 344.371 1.005 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000264656522 443363756 /nfs/dbraw/zinc/36/37/56/443363756.db2.gz ZTINFOQNVIWDEC-LLVKDONJSA-N 1 0 343.405 1.318 20 5 EDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420382809 319613359 /nfs/dbraw/zinc/61/33/59/319613359.db2.gz DGOCLBAAEQRXBP-VHSXEESVSA-N 1 0 326.784 1.869 20 5 EDBDRO CCn1nccc1C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000278794641 443441258 /nfs/dbraw/zinc/44/12/58/443441258.db2.gz FGYQFNKBKPWQJK-HNNXBMFYSA-N 1 0 348.407 1.248 20 5 EDBDRO C[C@@H]1C[N@H+](CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000278664562 443394829 /nfs/dbraw/zinc/39/48/29/443394829.db2.gz TWLPCGYWZLJVNV-CQSZACIVSA-N 1 0 335.404 1.754 20 5 EDBDRO C[C@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000273020572 443520780 /nfs/dbraw/zinc/52/07/80/443520780.db2.gz BWVULDWKEXHVMH-WFASDCNBSA-N 1 0 341.433 1.250 20 5 EDBDRO COc1ccc(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000265096089 443531768 /nfs/dbraw/zinc/53/17/68/443531768.db2.gz RRGICCWUNAPMAO-JSGCOSHPSA-N 1 0 348.403 1.982 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1=CC[N@H+](C)CC1 ZINC000272193194 443553347 /nfs/dbraw/zinc/55/33/47/443553347.db2.gz GFGODAVGUICOQZ-UHFFFAOYSA-N 1 0 325.390 1.443 20 5 EDBDRO Cc1c(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000272359107 443602407 /nfs/dbraw/zinc/60/24/07/443602407.db2.gz ZATKALQIFWAPHY-PWSUYJOCSA-N 1 0 344.375 1.293 20 5 EDBDRO COCCOCCOCC[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000276147170 443654087 /nfs/dbraw/zinc/65/40/87/443654087.db2.gz FQOCWKCEFQIKBI-MRXNPFEDSA-N 1 0 342.392 1.240 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1[N+](=O)[O-] ZINC000440757454 320079578 /nfs/dbraw/zinc/07/95/78/320079578.db2.gz TUEHCKJKUQHLMS-NEPJUHHUSA-N 1 0 327.406 1.569 20 5 EDBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449729028 320202958 /nfs/dbraw/zinc/20/29/58/320202958.db2.gz YJKRKSLJKUEXHO-NILFDRSVSA-N 1 0 337.376 1.705 20 5 EDBDRO C[NH+](C)CC(=O)N1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450240647 320216288 /nfs/dbraw/zinc/21/62/88/320216288.db2.gz DUWZYEFIWWJPIF-UHFFFAOYSA-N 1 0 343.387 1.353 20 5 EDBDRO C[N@H+](CCCCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000457186796 320322350 /nfs/dbraw/zinc/32/23/50/320322350.db2.gz QALJOGLAGJCFTN-UHFFFAOYSA-N 1 0 348.403 1.315 20 5 EDBDRO Cn1cncc1CCN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000459305807 320345787 /nfs/dbraw/zinc/34/57/87/320345787.db2.gz QQUQMRIJMXQIHV-UHFFFAOYSA-N 1 0 349.416 1.390 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(c3ncnc4sc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000286296131 443684663 /nfs/dbraw/zinc/68/46/63/443684663.db2.gz VJXASWBHTALGPA-WDEREUQCSA-N 1 0 335.389 1.509 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000290941155 443717029 /nfs/dbraw/zinc/71/70/29/443717029.db2.gz ZTVMNXFSDBISMY-UHFFFAOYSA-N 1 0 346.387 1.474 20 5 EDBDRO COC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000280803846 443746708 /nfs/dbraw/zinc/74/67/08/443746708.db2.gz SJVYTNZNDJSBSK-TZMCWYRMSA-N 1 0 349.387 1.973 20 5 EDBDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)CO ZINC000298533489 443793394 /nfs/dbraw/zinc/79/33/94/443793394.db2.gz WQCHYGYOPLYRFK-LLVKDONJSA-N 1 0 325.365 1.635 20 5 EDBDRO CN(C)c1cc(F)c(C(=O)N2CCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000298371197 443755162 /nfs/dbraw/zinc/75/51/62/443755162.db2.gz NOQLLGAUJVBOMW-NSHDSACASA-N 1 0 338.383 1.966 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000298721749 443849611 /nfs/dbraw/zinc/84/96/11/443849611.db2.gz URNWPTXWXBBCBL-UHFFFAOYSA-N 1 0 346.387 1.528 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298586837 443808068 /nfs/dbraw/zinc/80/80/68/443808068.db2.gz HFSRPKYXLHRMFM-KBPBESRZSA-N 1 0 332.360 1.276 20 5 EDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000285152131 443874786 /nfs/dbraw/zinc/87/47/86/443874786.db2.gz MAUZSOHXAJSRTD-NSHDSACASA-N 1 0 329.360 1.495 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000299071909 443946359 /nfs/dbraw/zinc/94/63/59/443946359.db2.gz PHLAKCDMYQYBBT-CABCVRRESA-N 1 0 339.417 1.641 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000299071914 443946671 /nfs/dbraw/zinc/94/66/71/443946671.db2.gz PHLAKCDMYQYBBT-GJZGRUSLSA-N 1 0 339.417 1.641 20 5 EDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000285227241 443903873 /nfs/dbraw/zinc/90/38/73/443903873.db2.gz FRPYYOFMEQWXNP-AWEZNQCLSA-N 1 0 349.347 1.235 20 5 EDBDRO CC(C)(CO)[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000293019146 443904441 /nfs/dbraw/zinc/90/44/41/443904441.db2.gz KJYIEWHRECJTSW-GDBMZVCRSA-N 1 0 338.404 1.721 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000277203664 443936150 /nfs/dbraw/zinc/93/61/50/443936150.db2.gz PXAUMMSUZWDDRM-LBPRGKRZSA-N 1 0 341.433 1.919 20 5 EDBDRO C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@@H+](C2CCC2)C1 ZINC000293612187 444070278 /nfs/dbraw/zinc/07/02/78/444070278.db2.gz DVFZHFFSNNJMEM-ZDUSSCGKSA-N 1 0 335.408 1.514 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289196128 444074734 /nfs/dbraw/zinc/07/47/34/444074734.db2.gz JGJYBYSUYVJLMY-HNNXBMFYSA-N 1 0 334.332 1.719 20 5 EDBDRO Cn1cc([C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@H]2CO)cn1 ZINC000277893509 444061433 /nfs/dbraw/zinc/06/14/33/444061433.db2.gz WCOZNIYZZOUOPJ-YOEHRIQHSA-N 1 0 346.387 1.415 20 5 EDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCN2CCSCC2)n1 ZINC000562592541 321065985 /nfs/dbraw/zinc/06/59/85/321065985.db2.gz IQWMUDZQVYCSJL-KBPBESRZSA-N 1 0 339.465 1.913 20 5 EDBDRO COCC[NH2+]C1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000564463755 321133512 /nfs/dbraw/zinc/13/35/12/321133512.db2.gz XFBANERKMCBARN-UHFFFAOYSA-N 1 0 337.376 1.444 20 5 EDBDRO [NH3+]CC[C@@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000565646918 321194427 /nfs/dbraw/zinc/19/44/27/321194427.db2.gz NMNFCJOQYYQHJG-LLVKDONJSA-N 1 0 332.307 1.255 20 5 EDBDRO O=C(CCN1CC[NH2+]C[C@H]1C(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000565659268 321195665 /nfs/dbraw/zinc/19/56/65/321195665.db2.gz WYQKZEMSGUUKND-LBPRGKRZSA-N 1 0 328.319 1.462 20 5 EDBDRO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000565698548 321198383 /nfs/dbraw/zinc/19/83/83/321198383.db2.gz HDETZQFIPANSQT-CJNGLKHVSA-N 1 0 335.404 1.661 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000567847190 321262633 /nfs/dbraw/zinc/26/26/33/321262633.db2.gz CCQQYVKGBBPGSA-AWEZNQCLSA-N 1 0 344.375 1.431 20 5 EDBDRO O=C(C[NH2+][C@@H](CO)C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000289430057 444141499 /nfs/dbraw/zinc/14/14/99/444141499.db2.gz DAUPRYJDICDQLH-HNNXBMFYSA-N 1 0 333.388 1.625 20 5 EDBDRO O=C(C[NH+]1CCCC1)N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000301202992 444154239 /nfs/dbraw/zinc/15/42/39/444154239.db2.gz QDYBPPVXYZBDIC-UHFFFAOYSA-N 1 0 336.367 1.478 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000301343616 444165688 /nfs/dbraw/zinc/16/56/88/444165688.db2.gz IXHVJZBXPKLCMN-VBNZEHGJSA-N 1 0 344.415 1.875 20 5 EDBDRO NC(=O)c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c([N+](=O)[O-])c1 ZINC000296359683 444222819 /nfs/dbraw/zinc/22/28/19/444222819.db2.gz SAECFCQVZGTMAK-NWANDNLSSA-N 1 0 331.372 1.741 20 5 EDBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000301691913 444185694 /nfs/dbraw/zinc/18/56/94/444185694.db2.gz YZXZTVQGNZHFDE-STQMWFEESA-N 1 0 342.193 1.877 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(c3nc4ccccn4c(=O)c3[N+](=O)[O-])CC[C@H]21 ZINC000301711800 444186785 /nfs/dbraw/zinc/18/67/85/444186785.db2.gz KVRCMKRDFQXYQA-CHWSQXEVSA-N 1 0 343.387 1.523 20 5 EDBDRO CC(C)OCC[NH+]1CCC(Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301870724 444194931 /nfs/dbraw/zinc/19/49/31/444194931.db2.gz JULLYKHXBZTVEP-UHFFFAOYSA-N 1 0 348.407 1.939 20 5 EDBDRO Cn1cc([C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[NH+](C)C)cn1 ZINC000301963747 444198681 /nfs/dbraw/zinc/19/86/81/444198681.db2.gz JFYGKQHJSKXXOQ-LLVKDONJSA-N 1 0 330.352 1.086 20 5 EDBDRO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304437948 444249775 /nfs/dbraw/zinc/24/97/75/444249775.db2.gz URQLXTKEVDLMKY-XPKDYRNWSA-N 1 0 340.424 1.319 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000317256296 444314546 /nfs/dbraw/zinc/31/45/46/444314546.db2.gz PPKSLBZNNDTHOT-TZMCWYRMSA-N 1 0 327.406 1.484 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000318950269 444321924 /nfs/dbraw/zinc/32/19/24/444321924.db2.gz UNCFWKTVJQTMDY-LBPRGKRZSA-N 1 0 327.406 1.666 20 5 EDBDRO Cc1ccncc1CCC[NH2+][C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000290558150 444295256 /nfs/dbraw/zinc/29/52/56/444295256.db2.gz ZMDIWCKFDSMRED-MSOLQXFVSA-N 1 0 345.399 1.915 20 5 EDBDRO COC(=O)c1cc(NC(=O)c2conc2C(C)(C)[NH3+])cc([N+](=O)[O-])c1 ZINC000579494527 321942639 /nfs/dbraw/zinc/94/26/39/321942639.db2.gz RKNLHNGCEOJPIQ-UHFFFAOYSA-N 1 0 348.315 1.816 20 5 EDBDRO Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000579891798 321981785 /nfs/dbraw/zinc/98/17/85/321981785.db2.gz HUONUQXIYOHJDQ-AAEUAGOBSA-N 1 0 334.376 1.727 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)C[C@@H]21 ZINC000580621136 322074082 /nfs/dbraw/zinc/07/40/82/322074082.db2.gz DOIVZEJRUAGGCH-MFKMUULPSA-N 1 0 333.344 1.142 20 5 EDBDRO CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)cc1[N+](=O)[O-] ZINC000340967061 444604910 /nfs/dbraw/zinc/60/49/10/444604910.db2.gz BQEITDJEPZCRDQ-CYBMUJFWSA-N 1 0 337.376 1.444 20 5 EDBDRO COC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000342300196 444619018 /nfs/dbraw/zinc/61/90/18/444619018.db2.gz CKDCCKHTAQXPAJ-LSDHHAIUSA-N 1 0 338.339 1.269 20 5 EDBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344184767 444827126 /nfs/dbraw/zinc/82/71/26/444827126.db2.gz SFXOQOPLUVMJMZ-HNNXBMFYSA-N 1 0 339.367 1.821 20 5 EDBDRO C[NH+](C)C1CCN(CCNc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000342817249 444878395 /nfs/dbraw/zinc/87/83/95/444878395.db2.gz NRDKWTLPPXLVJD-UHFFFAOYSA-N 1 0 335.408 1.132 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000342791356 444869621 /nfs/dbraw/zinc/86/96/21/444869621.db2.gz ULMUYZDEMOVHHX-CYBMUJFWSA-N 1 0 348.403 1.945 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2Cn2cc(C3CC3)nn2)n1 ZINC000344355324 444914470 /nfs/dbraw/zinc/91/44/70/444914470.db2.gz QDUOAPRXAMUQQG-ZDUSSCGKSA-N 1 0 331.380 1.425 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(Oc2ccccn2)CC1 ZINC000341690329 444949671 /nfs/dbraw/zinc/94/96/71/444949671.db2.gz VITJSUSKLRPFMA-UHFFFAOYSA-N 1 0 344.371 1.695 20 5 EDBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000330459843 444989928 /nfs/dbraw/zinc/98/99/28/444989928.db2.gz ZZRIGYMMEXTZNN-OLZOCXBDSA-N 1 0 337.424 1.763 20 5 EDBDRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000337408245 445067468 /nfs/dbraw/zinc/06/74/68/445067468.db2.gz KHTMEQJHYHQULW-NEPJUHHUSA-N 1 0 335.360 1.807 20 5 EDBDRO CC(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000339186107 445078766 /nfs/dbraw/zinc/07/87/66/445078766.db2.gz OPYJJOIOSANKLV-AWEZNQCLSA-N 1 0 348.403 1.832 20 5 EDBDRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000342079946 445160462 /nfs/dbraw/zinc/16/04/62/445160462.db2.gz IKOSZVJMKPAXPL-JSGCOSHPSA-N 1 0 346.387 1.838 20 5 EDBDRO C[NH+](C)CCOC1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000347884579 445253982 /nfs/dbraw/zinc/25/39/82/445253982.db2.gz FBEBPZWRTFUHMM-UHFFFAOYSA-N 1 0 334.380 1.185 20 5 EDBDRO CCC(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000354679963 445337744 /nfs/dbraw/zinc/33/77/44/445337744.db2.gz WUCWSJGYIYNBBN-AWEZNQCLSA-N 1 0 348.403 1.914 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+](C)C[C@H](C)OC)cc1[N+](=O)[O-] ZINC000348840005 445409911 /nfs/dbraw/zinc/40/99/11/445409911.db2.gz YXRFMGWHVYQOIB-NSHDSACASA-N 1 0 326.349 1.613 20 5 EDBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c1OC ZINC000357044338 445391513 /nfs/dbraw/zinc/39/15/13/445391513.db2.gz HJGVULVLIWBHRN-NSHDSACASA-N 1 0 335.360 1.579 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000362660715 445483562 /nfs/dbraw/zinc/48/35/62/445483562.db2.gz AATLKHUMRXKXNO-MRXNPFEDSA-N 1 0 332.404 1.299 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H](C[NH3+])C1CC1 ZINC000359867236 445467171 /nfs/dbraw/zinc/46/71/71/445467171.db2.gz BWCILHLMSVPYLN-CQSZACIVSA-N 1 0 336.392 1.601 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000362713233 445513831 /nfs/dbraw/zinc/51/38/31/445513831.db2.gz ZBRGFPSMENLUAA-MRXNPFEDSA-N 1 0 329.356 1.910 20 5 EDBDRO CCCC[N@H+](C)CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000360112592 445573747 /nfs/dbraw/zinc/57/37/47/445573747.db2.gz NIMGCVATWBMXOX-UHFFFAOYSA-N 1 0 330.410 1.386 20 5 EDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362769016 445541345 /nfs/dbraw/zinc/54/13/45/445541345.db2.gz IWKIXMPCVSUZOB-SNVBAGLBSA-N 1 0 327.331 1.968 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCCN2CC[NH+](C)CC2)c1 ZINC000360159609 445602058 /nfs/dbraw/zinc/60/20/58/445602058.db2.gz ZLUIMASSJBQEPO-UHFFFAOYSA-N 1 0 336.392 1.431 20 5 EDBDRO C[C@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000356082726 445609074 /nfs/dbraw/zinc/60/90/74/445609074.db2.gz KMICAEFAHWPBAR-GFCCVEGCSA-N 1 0 335.408 1.789 20 5 EDBDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000349815597 445687416 /nfs/dbraw/zinc/68/74/16/445687416.db2.gz YKAMMYSBNXXNIR-GFCCVEGCSA-N 1 0 329.422 1.743 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000356496888 445822800 /nfs/dbraw/zinc/82/28/00/445822800.db2.gz KJUDIWURHFCKFC-UHFFFAOYSA-N 1 0 331.376 1.532 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000356427794 445785501 /nfs/dbraw/zinc/78/55/01/445785501.db2.gz NNERQBQMGKJYTO-ZDUSSCGKSA-N 1 0 331.376 1.231 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[N@@H+](CC(C)C)CC1 ZINC000363442337 445805566 /nfs/dbraw/zinc/80/55/66/445805566.db2.gz SCQRIVYIBOBMTO-UHFFFAOYSA-N 1 0 337.424 1.680 20 5 EDBDRO Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)n1 ZINC000363451030 445808809 /nfs/dbraw/zinc/80/88/09/445808809.db2.gz RWJDBHPAVJNLTB-CQSZACIVSA-N 1 0 333.396 1.554 20 5 EDBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000350657571 445873436 /nfs/dbraw/zinc/87/34/36/445873436.db2.gz QPZVSEITASPOQD-UHFFFAOYSA-N 1 0 339.367 1.699 20 5 EDBDRO CN(CC(=O)N(C)[C@H]1C[NH+]2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC000361808216 445962453 /nfs/dbraw/zinc/96/24/53/445962453.db2.gz SOUUJCPJKJXOHL-INIZCTEOSA-N 1 0 332.404 1.584 20 5 EDBDRO CCC[NH+]1CCN(C2CCN(c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000361811152 445964876 /nfs/dbraw/zinc/96/48/76/445964876.db2.gz ADAXIEDGBQRCKG-UHFFFAOYSA-N 1 0 333.436 1.986 20 5 EDBDRO COC(=O)c1cnc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000365057818 445998800 /nfs/dbraw/zinc/99/88/00/445998800.db2.gz BPXBKTXTVRQWDS-VXGBXAGGSA-N 1 0 336.348 1.052 20 5 EDBDRO O=C(CC[NH2+]Cc1cccc(CO)n1)Nc1ccccc1[N+](=O)[O-] ZINC000582665823 325898831 /nfs/dbraw/zinc/89/88/31/325898831.db2.gz CQSYRNNUBXTIRP-UHFFFAOYSA-N 1 0 330.344 1.601 20 5 EDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000359231366 446061465 /nfs/dbraw/zinc/06/14/65/446061465.db2.gz YKEKSSPSXXBAFU-LBPRGKRZSA-N 1 0 337.376 1.583 20 5 EDBDRO Cc1cc(C[C@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000584167677 326212302 /nfs/dbraw/zinc/21/23/02/326212302.db2.gz CXRJPFQLNHXZGV-NHYWBVRUSA-N 1 0 334.376 1.587 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000361935225 446083257 /nfs/dbraw/zinc/08/32/57/446083257.db2.gz BGPUAOHVLFCIQH-HZMBPMFUSA-N 1 0 329.360 1.637 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CC[NH+](CC)CC1 ZINC000354355409 446139993 /nfs/dbraw/zinc/13/99/93/446139993.db2.gz YVKHIWSQAVKMQQ-UHFFFAOYSA-N 1 0 348.403 1.696 20 5 EDBDRO O=C1O[C@@H](C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CC12CCC2 ZINC000365272033 446116109 /nfs/dbraw/zinc/11/61/09/446116109.db2.gz WVFCLJQLSPICCV-GXTWGEPZSA-N 1 0 334.376 1.914 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000365403528 446190953 /nfs/dbraw/zinc/19/09/53/446190953.db2.gz NMEAWVXMGMOBLP-OAHLLOKOSA-N 1 0 346.431 1.900 20 5 EDBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000354455969 446217463 /nfs/dbraw/zinc/21/74/63/446217463.db2.gz IPBACPXOPDDNAK-LBPRGKRZSA-N 1 0 329.422 1.912 20 5 EDBDRO COc1ccc(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000362108675 446218050 /nfs/dbraw/zinc/21/80/50/446218050.db2.gz GRFSTSPRBNFBAK-MRXNPFEDSA-N 1 0 340.376 1.786 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000366448986 446220263 /nfs/dbraw/zinc/22/02/63/446220263.db2.gz NGONQMVBKMHFCJ-KBPBESRZSA-N 1 0 333.388 1.964 20 5 EDBDRO C[NH+](C)C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2O1 ZINC000370504325 446310172 /nfs/dbraw/zinc/31/01/72/446310172.db2.gz GMQARMZUHDHRBP-ZDUSSCGKSA-N 1 0 345.359 1.147 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000370545818 446325918 /nfs/dbraw/zinc/32/59/18/446325918.db2.gz IQJQCGDHQWUTBC-DLBZAZTESA-N 1 0 347.415 1.897 20 5 EDBDRO CO[C@@]1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000359630403 446327552 /nfs/dbraw/zinc/32/75/52/446327552.db2.gz DWOBMFXEAPBYGO-QGZVFWFLSA-N 1 0 346.387 1.890 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C)C1 ZINC000359634581 446329679 /nfs/dbraw/zinc/32/96/79/446329679.db2.gz DMISPRFVOGPZDJ-NEPJUHHUSA-N 1 0 347.375 1.536 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@]1(N2CCOCC2)CCCOC1 ZINC000370556599 446330988 /nfs/dbraw/zinc/33/09/88/446330988.db2.gz LJLZWNVHNKNZNN-KRWDZBQOSA-N 1 0 335.404 1.566 20 5 EDBDRO Cc1cc(N2CC[C@H](N3CC[NH2+]CC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420247718 446430080 /nfs/dbraw/zinc/43/00/80/446430080.db2.gz HFVFHWZSZSBWKQ-AWEZNQCLSA-N 1 0 341.415 1.935 20 5 EDBDRO COC[C@@]1(CNc2ccc(CC(=O)OC)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000420246865 446430432 /nfs/dbraw/zinc/43/04/32/446430432.db2.gz GPEVIBZJHBHOKZ-INIZCTEOSA-N 1 0 337.376 1.491 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000376330073 446433087 /nfs/dbraw/zinc/43/30/87/446433087.db2.gz BHTCXYFDKWOPIL-QWHCGFSZSA-N 1 0 344.375 1.769 20 5 EDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418082729 446435582 /nfs/dbraw/zinc/43/55/82/446435582.db2.gz JRTMELLDFDJZCC-VHSXEESVSA-N 1 0 332.364 1.363 20 5 EDBDRO C[C@H]1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C[NH3+] ZINC000418083267 446436173 /nfs/dbraw/zinc/43/61/73/446436173.db2.gz KWOCGOXORWGMIA-QWRGUYRKSA-N 1 0 346.391 1.597 20 5 EDBDRO CC(C)NC(=O)c1ccc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000420266317 446440007 /nfs/dbraw/zinc/44/00/07/446440007.db2.gz VSJBZZGTPCRXNH-KGLIPLIRSA-N 1 0 332.404 1.779 20 5 EDBDRO NS(=O)(=O)c1cc(NC[C@@H]2CCC[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000420273057 446442755 /nfs/dbraw/zinc/44/27/55/446442755.db2.gz DVYLQWZJMKOLHF-ZJUUUORDSA-N 1 0 328.394 1.172 20 5 EDBDRO [NH3+]CC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000420276352 446444575 /nfs/dbraw/zinc/44/45/75/446444575.db2.gz RMYOBCRHHGYHLU-UHFFFAOYSA-N 1 0 326.784 1.857 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000411161381 446414466 /nfs/dbraw/zinc/41/44/66/446414466.db2.gz BNWGKLLBSRBWDI-GFCCVEGCSA-N 1 0 337.376 1.779 20 5 EDBDRO O=C(NCC[C@H]1CC[NH2+]C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418332453 446503983 /nfs/dbraw/zinc/50/39/83/446503983.db2.gz FSDPXHKJAQNDPW-CQSZACIVSA-N 1 0 347.419 1.426 20 5 EDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420365200 446544837 /nfs/dbraw/zinc/54/48/37/446544837.db2.gz KXWCFKNFDAVVKY-PSTGCABASA-N 1 0 332.404 1.460 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000418607702 446613308 /nfs/dbraw/zinc/61/33/08/446613308.db2.gz RAXJXSHSPXWKJI-KBPBESRZSA-N 1 0 347.419 1.567 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420416420 446590494 /nfs/dbraw/zinc/59/04/94/446590494.db2.gz BBYYQYOYUAAYQJ-WCQYABFASA-N 1 0 327.406 1.055 20 5 EDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420423039 446597611 /nfs/dbraw/zinc/59/76/11/446597611.db2.gz MRNSRXHBTUZDIM-NWDGAFQWSA-N 1 0 327.406 1.149 20 5 EDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420459971 446638329 /nfs/dbraw/zinc/63/83/29/446638329.db2.gz QZANEOYEEIIUOQ-KBPBESRZSA-N 1 0 341.433 1.574 20 5 EDBDRO COCC[C@@]1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000376693900 446656310 /nfs/dbraw/zinc/65/63/10/446656310.db2.gz DNCJUWWEODAFLB-INIZCTEOSA-N 1 0 336.392 1.139 20 5 EDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418731960 446657447 /nfs/dbraw/zinc/65/74/47/446657447.db2.gz JIHYFEMMGYMARX-LBPRGKRZSA-N 1 0 330.335 1.761 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423738585 446670186 /nfs/dbraw/zinc/67/01/86/446670186.db2.gz HIBZYUDAOIMUFF-GXFFZTMASA-N 1 0 335.360 1.629 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420447478 446624036 /nfs/dbraw/zinc/62/40/36/446624036.db2.gz CQLONCVOSRIRCA-RYUDHWBXSA-N 1 0 327.406 1.617 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC2)CCO1 ZINC000420581994 446689766 /nfs/dbraw/zinc/68/97/66/446689766.db2.gz GOQRLJJCBNLVAO-GFCCVEGCSA-N 1 0 348.403 1.383 20 5 EDBDRO C[C@H](NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000418777570 446695168 /nfs/dbraw/zinc/69/51/68/446695168.db2.gz HMHCSERWWCSNEG-FPMFFAJLSA-N 1 0 346.387 1.125 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000418783624 446700255 /nfs/dbraw/zinc/70/02/55/446700255.db2.gz OWUYSFAMFDOUNY-DYEKYZERSA-N 1 0 348.403 1.358 20 5 EDBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000371243180 446711433 /nfs/dbraw/zinc/71/14/33/446711433.db2.gz SIHVAQSSLSJWEO-AWEZNQCLSA-N 1 0 343.387 1.960 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000454103767 446776366 /nfs/dbraw/zinc/77/63/66/446776366.db2.gz PZXWAYIFTNSYNI-AWEZNQCLSA-N 1 0 334.376 1.474 20 5 EDBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000412024341 446790610 /nfs/dbraw/zinc/79/06/10/446790610.db2.gz BRPYGSQGPDQRSH-GFCCVEGCSA-N 1 0 347.375 1.898 20 5 EDBDRO O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000424065309 446835754 /nfs/dbraw/zinc/83/57/54/446835754.db2.gz LQXZYOAWYDHDCK-ZDUSSCGKSA-N 1 0 342.359 1.314 20 5 EDBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412108884 446865177 /nfs/dbraw/zinc/86/51/77/446865177.db2.gz NZGUHZHKEOHJMB-HRCADAONSA-N 1 0 332.404 1.060 20 5 EDBDRO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CCN1C1CC[NH+](C)CC1 ZINC000371465755 446873605 /nfs/dbraw/zinc/87/36/05/446873605.db2.gz HRFIAPMRSUBTRC-AWEZNQCLSA-N 1 0 346.431 1.835 20 5 EDBDRO CNC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000420968557 446939912 /nfs/dbraw/zinc/93/99/12/446939912.db2.gz CDTOZFVWGLYUKN-GFCCVEGCSA-N 1 0 334.376 1.300 20 5 EDBDRO CNC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000420982465 446958398 /nfs/dbraw/zinc/95/83/98/446958398.db2.gz YBWLFTYKCCNJTM-GFCCVEGCSA-N 1 0 334.376 1.300 20 5 EDBDRO CNC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000420982467 446958576 /nfs/dbraw/zinc/95/85/76/446958576.db2.gz YBWLFTYKCCNJTM-LBPRGKRZSA-N 1 0 334.376 1.300 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000377173166 446969696 /nfs/dbraw/zinc/96/96/96/446969696.db2.gz CRKMUVHYJYFABD-KBPBESRZSA-N 1 0 334.376 1.888 20 5 EDBDRO CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000419169285 446984913 /nfs/dbraw/zinc/98/49/13/446984913.db2.gz RAEGDPKNWYFHLC-RISCZKNCSA-N 1 0 336.392 1.134 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)c1C ZINC000368636551 446996301 /nfs/dbraw/zinc/99/63/01/446996301.db2.gz VMOUORVADYQYBI-CYBMUJFWSA-N 1 0 339.417 1.632 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000419276567 447050858 /nfs/dbraw/zinc/05/08/58/447050858.db2.gz TWTULDOYRMLEFH-YPMHNXCESA-N 1 0 334.376 1.030 20 5 EDBDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000375816288 447074774 /nfs/dbraw/zinc/07/47/74/447074774.db2.gz SASGGINKPIUIFY-CYBMUJFWSA-N 1 0 343.387 1.807 20 5 EDBDRO Cc1nn(CCC(=O)NC2CCC([NH+](C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000421683709 447217581 /nfs/dbraw/zinc/21/75/81/447217581.db2.gz GHTZYEIHBOHXED-UHFFFAOYSA-N 1 0 337.424 1.787 20 5 EDBDRO O=C(CC[N@@H+]1CC[C@H](c2nnc[nH]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000425545523 447222775 /nfs/dbraw/zinc/22/27/75/447222775.db2.gz JWOZPQQMIAANQN-NSHDSACASA-N 1 0 330.348 1.531 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000421703011 447224250 /nfs/dbraw/zinc/22/42/50/447224250.db2.gz LJKZMKGCEPNPPE-MRXNPFEDSA-N 1 0 343.387 1.947 20 5 EDBDRO CNc1nc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000456062739 447291595 /nfs/dbraw/zinc/29/15/95/447291595.db2.gz LOWOGBAWSPCDNS-SLEUVZQESA-N 1 0 347.419 1.834 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000372803867 447292841 /nfs/dbraw/zinc/29/28/41/447292841.db2.gz DNWVOAUUMLVGFI-BBRMVZONSA-N 1 0 335.360 1.699 20 5 EDBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000415508613 447487083 /nfs/dbraw/zinc/48/70/83/447487083.db2.gz VHLVPFAOVSSRIW-CQSZACIVSA-N 1 0 349.391 1.446 20 5 EDBDRO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000392983201 447527947 /nfs/dbraw/zinc/52/79/47/447527947.db2.gz SODMDZBTBDTHDK-OAHLLOKOSA-N 1 0 347.419 1.417 20 5 EDBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@H]3CCC[N@H+]3CCCO)c21 ZINC000450598786 447535234 /nfs/dbraw/zinc/53/52/34/447535234.db2.gz RELDMIHNURVZBP-GFCCVEGCSA-N 1 0 331.376 1.797 20 5 EDBDRO C[C@@H](C(=O)NC[C@](C)(O)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000420021168 447550253 /nfs/dbraw/zinc/55/02/53/447550253.db2.gz UEKPLKCGVRNWRQ-BDJLRTHQSA-N 1 0 341.383 1.656 20 5 EDBDRO Cc1cc(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)ccc1[N+](=O)[O-] ZINC000450891953 447606337 /nfs/dbraw/zinc/60/63/37/447606337.db2.gz LTTQYCIWOCUJJA-AWEZNQCLSA-N 1 0 332.404 1.694 20 5 EDBDRO C[N@H+](CCCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000416499667 447627581 /nfs/dbraw/zinc/62/75/81/447627581.db2.gz CVMVJSGINXWGRM-UHFFFAOYSA-N 1 0 341.433 1.889 20 5 EDBDRO C[NH+](C)CC(C)(C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000459532410 447697580 /nfs/dbraw/zinc/69/75/80/447697580.db2.gz DWJRMSOEUWFIEM-UHFFFAOYSA-N 1 0 338.364 1.192 20 5 EDBDRO Cn1ccnc1C(=O)c1ccc(N2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420174154 447654669 /nfs/dbraw/zinc/65/46/69/447654669.db2.gz SRGVSVQCXOUIDC-LLVKDONJSA-N 1 0 329.360 1.344 20 5 EDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420195839 447665777 /nfs/dbraw/zinc/66/57/77/447665777.db2.gz KXAWNQOOPXAVQC-ZYHUDNBSSA-N 1 0 327.406 1.928 20 5 EDBDRO CC(C)[C@@H]([NH3+])CCN(C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420200163 447666652 /nfs/dbraw/zinc/66/66/52/447666652.db2.gz FWEVMMMINYUBEL-VIFPVBQESA-N 1 0 335.451 1.869 20 5 EDBDRO COC(=O)[C@H](C)NC(=O)c1ccc(N[C@H](C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000420226098 447677623 /nfs/dbraw/zinc/67/76/23/447677623.db2.gz KMNNIJZCTFJVMU-ZJUUUORDSA-N 1 0 338.364 1.035 20 5 EDBDRO CC(C)NC(=O)c1ccc(N2CC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420227673 447678623 /nfs/dbraw/zinc/67/86/23/447678623.db2.gz JEXAMQUQFWYRQA-KRWDZBQOSA-N 1 0 332.404 1.923 20 5 EDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420235375 447681782 /nfs/dbraw/zinc/68/17/82/447681782.db2.gz DPDAAWXLOCZLFX-LLVKDONJSA-N 1 0 333.314 1.546 20 5 EDBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@H](O)[C@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000459707008 447746702 /nfs/dbraw/zinc/74/67/02/447746702.db2.gz NYMBKJINVBXFAD-ZBEGNZNMSA-N 1 0 348.355 1.648 20 5 EDBDRO CC(C)[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000489324245 447854570 /nfs/dbraw/zinc/85/45/70/447854570.db2.gz DHMUMDPDUDFTBJ-HNNXBMFYSA-N 1 0 348.403 1.123 20 5 EDBDRO COC[C@@](C)(O)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000531712409 448131909 /nfs/dbraw/zinc/13/19/09/448131909.db2.gz GTFCFFOIZAFXSH-NHYWBVRUSA-N 1 0 325.365 1.299 20 5 EDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCSCCCO)n1 ZINC000576784755 448137480 /nfs/dbraw/zinc/13/74/80/448137480.db2.gz QVGIVONXKTYGID-STQMWFEESA-N 1 0 328.438 1.980 20 5 EDBDRO O=C(C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000591054322 448245088 /nfs/dbraw/zinc/24/50/88/448245088.db2.gz WMLITAURTRDXDE-DZKIICNBSA-N 1 0 345.399 1.577 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CC(OCc3ccccc3)C2)c1 ZINC000515416326 448310307 /nfs/dbraw/zinc/31/03/07/448310307.db2.gz YUGVEAGJKCQJQI-ARWYELJZSA-N 1 0 346.387 1.490 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC([NH2+]CC2CC2)CC1 ZINC000582607090 448289788 /nfs/dbraw/zinc/28/97/88/448289788.db2.gz RJONRGAPTLGDPD-UHFFFAOYSA-N 1 0 347.371 1.928 20 5 EDBDRO C[C@@H](C(=O)N[C@@H](CO)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000582653140 448301108 /nfs/dbraw/zinc/30/11/08/448301108.db2.gz WSMRSDPWRYWVEK-UKRRQHHQSA-N 1 0 335.404 1.661 20 5 EDBDRO CC[C@@H]1CN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000591346337 448333298 /nfs/dbraw/zinc/33/32/98/448333298.db2.gz KSRPOWKUABCAMX-CHWSQXEVSA-N 1 0 336.392 1.872 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@@H](CO)C2)cc1 ZINC000582965082 448390957 /nfs/dbraw/zinc/39/09/57/448390957.db2.gz KJXZXYCQKNQXKR-OLZOCXBDSA-N 1 0 342.417 1.509 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCN3CCCC[C@@H]23)c1 ZINC000578006105 448436587 /nfs/dbraw/zinc/43/65/87/448436587.db2.gz SQVRJWHZIHHAFV-PVAVHDDUSA-N 1 0 335.404 1.551 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000516747608 448467245 /nfs/dbraw/zinc/46/72/45/448467245.db2.gz SKHZFFCDZOYHJS-OCCSQVGLSA-N 1 0 339.417 1.536 20 5 EDBDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1F ZINC000584299943 448477834 /nfs/dbraw/zinc/47/78/34/448477834.db2.gz AWDPJPKWBXEBBW-UHFFFAOYSA-N 1 0 347.350 1.703 20 5 EDBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1ccccc1 ZINC000591742492 448479343 /nfs/dbraw/zinc/47/93/43/448479343.db2.gz POOQYXONEJHJJO-AWEZNQCLSA-N 1 0 334.376 1.599 20 5 EDBDRO CCNC(=O)C(C)(C)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591756829 448482292 /nfs/dbraw/zinc/48/22/92/448482292.db2.gz NXDAUCHOKAKRKM-GFCCVEGCSA-N 1 0 339.392 1.086 20 5 EDBDRO COc1ccccc1C1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000566557003 448506737 /nfs/dbraw/zinc/50/67/37/448506737.db2.gz MQXGIYRHADECSV-CQSZACIVSA-N 1 0 346.387 1.482 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000572969710 448510101 /nfs/dbraw/zinc/51/01/01/448510101.db2.gz JHFIIFJYEKWXBO-QGZVFWFLSA-N 1 0 343.387 1.723 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCn2ccnc21 ZINC000517359974 448575850 /nfs/dbraw/zinc/57/58/50/448575850.db2.gz YJXJOYTYKLJRLD-KGLIPLIRSA-N 1 0 346.387 1.698 20 5 EDBDRO CNc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000566955959 448590492 /nfs/dbraw/zinc/59/04/92/448590492.db2.gz PFDZCWBEICSPBJ-ZDUSSCGKSA-N 1 0 336.392 1.213 20 5 EDBDRO C[C@@H]1CC[N@H+](CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000573539256 448650928 /nfs/dbraw/zinc/65/09/28/448650928.db2.gz LAKCCECYTOEMAA-SNVBAGLBSA-N 1 0 327.331 1.874 20 5 EDBDRO CCc1ccc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000573444018 448628749 /nfs/dbraw/zinc/62/87/49/448628749.db2.gz GPRRNKCNYUULHL-LLVKDONJSA-N 1 0 327.406 1.435 20 5 EDBDRO CC(C)[C@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[NH2+]1 ZINC000592247756 448761620 /nfs/dbraw/zinc/76/16/20/448761620.db2.gz SZZDUZIHXYRGGF-MRXNPFEDSA-N 1 0 343.387 1.851 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592256247 448765008 /nfs/dbraw/zinc/76/50/08/448765008.db2.gz WHKMNPXTQPZWLJ-CABCVRRESA-N 1 0 349.435 1.728 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)n1 ZINC000567611727 448723888 /nfs/dbraw/zinc/72/38/88/448723888.db2.gz GAMKBQWUVNFTEP-QWHCGFSZSA-N 1 0 329.360 1.378 20 5 EDBDRO Cn1c2cc([N+](=O)[O-])c(N3CCC([NH+](C)C)CC3)cc2n(C)c1=O ZINC000585703232 448742307 /nfs/dbraw/zinc/74/23/07/448742307.db2.gz VSPSXIRYMIVLKD-UHFFFAOYSA-N 1 0 333.392 1.316 20 5 EDBDRO CCOc1cc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000592243694 448760815 /nfs/dbraw/zinc/76/08/15/448760815.db2.gz CWUIUDGLSZXWSK-YPMHNXCESA-N 1 0 349.387 1.826 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592357323 448803701 /nfs/dbraw/zinc/80/37/01/448803701.db2.gz WQHGDKWAFXPECT-CABZTGNLSA-N 1 0 331.332 1.893 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000592367554 448807615 /nfs/dbraw/zinc/80/76/15/448807615.db2.gz SXIRLGLWLLBYIH-GFCCVEGCSA-N 1 0 327.406 1.632 20 5 EDBDRO Cc1ccc(NCCC[NH2+]C[C@H](C)S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000579463125 448798470 /nfs/dbraw/zinc/79/84/70/448798470.db2.gz DSRQJJKPXLPFQP-LBPRGKRZSA-N 1 0 329.422 1.728 20 5 EDBDRO C[C@@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1C ZINC000519809295 448848209 /nfs/dbraw/zinc/84/82/09/448848209.db2.gz RQESMQJGVJTPRC-BETUJISGSA-N 1 0 336.392 1.708 20 5 EDBDRO CS[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@H]1[NH+](C)C ZINC000588007932 448856517 /nfs/dbraw/zinc/85/65/17/448856517.db2.gz SONMNWBSSMMNQQ-OLZOCXBDSA-N 1 0 326.422 1.151 20 5 EDBDRO CC(C)Oc1nc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000568415224 448870249 /nfs/dbraw/zinc/87/02/49/448870249.db2.gz LPTJAHJNDUHABR-BETUJISGSA-N 1 0 338.408 1.668 20 5 EDBDRO C[NH2+]CCCN(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592566600 448903881 /nfs/dbraw/zinc/90/38/81/448903881.db2.gz OHCWALRLIGTQME-UHFFFAOYSA-N 1 0 334.420 1.879 20 5 EDBDRO CC[C@@H]1CN(C)CCN1C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000574617897 448915185 /nfs/dbraw/zinc/91/51/85/448915185.db2.gz AVUMNBFLIFDGBV-LLVKDONJSA-N 1 0 337.376 1.778 20 5 EDBDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000547730466 448921228 /nfs/dbraw/zinc/92/12/28/448921228.db2.gz ULIYQTPBSJWYAT-UHFFFAOYSA-N 1 0 335.408 1.766 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@]12CCNC2=O ZINC000582070442 449003895 /nfs/dbraw/zinc/00/38/95/449003895.db2.gz KCQQQTHYEHGYSF-KRWDZBQOSA-N 1 0 346.387 1.586 20 5 EDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593565585 449074864 /nfs/dbraw/zinc/07/48/64/449074864.db2.gz IIDZGZSOZZHZJP-YPMHNXCESA-N 1 0 340.405 1.095 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000589930333 449084431 /nfs/dbraw/zinc/08/44/31/449084431.db2.gz WKOQFFUGQBRWFA-QWHCGFSZSA-N 1 0 339.417 1.536 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000522074771 449049290 /nfs/dbraw/zinc/04/92/90/449049290.db2.gz FEMFMPYLOSLXTH-AWEZNQCLSA-N 1 0 349.435 1.175 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000599891153 449101471 /nfs/dbraw/zinc/10/14/71/449101471.db2.gz ZJVGVYCXXPVCLJ-CQSZACIVSA-N 1 0 348.403 1.607 20 5 EDBDRO C[NH2+]CCOCCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599919794 449109458 /nfs/dbraw/zinc/10/94/58/449109458.db2.gz WSEJUBGAPZDXRS-UHFFFAOYSA-N 1 0 344.799 1.326 20 5 EDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCCc1cccc([N+](=O)[O-])c1)C2 ZINC000599921265 449110227 /nfs/dbraw/zinc/11/02/27/449110227.db2.gz QBJBBFSSZZWBQK-CALCHBBNSA-N 1 0 332.404 1.778 20 5 EDBDRO O=C(NC[C@H]1COCC[NH2+]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000599941953 449119799 /nfs/dbraw/zinc/11/97/99/449119799.db2.gz WJZUOEICRDRCCF-ZDUSSCGKSA-N 1 0 334.376 1.257 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597855024 449125000 /nfs/dbraw/zinc/12/50/00/449125000.db2.gz PFDYARNXPBCXJO-CYBMUJFWSA-N 1 0 337.424 1.726 20 5 EDBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000590386445 449142661 /nfs/dbraw/zinc/14/26/61/449142661.db2.gz ABOCEXKOZCVOST-CQSZACIVSA-N 1 0 347.415 1.849 20 5 EDBDRO Cc1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000590399905 449147073 /nfs/dbraw/zinc/14/70/73/449147073.db2.gz QBWXHJYWRQMMNP-ZBFHGGJFSA-N 1 0 333.388 1.838 20 5 EDBDRO C[C@@H](CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[NH+](C)C ZINC000597992466 449177240 /nfs/dbraw/zinc/17/72/40/449177240.db2.gz LZFQWNHMRQDMCZ-LBPRGKRZSA-N 1 0 331.376 1.851 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC2(COC2)C1 ZINC000595835694 449198087 /nfs/dbraw/zinc/19/80/87/449198087.db2.gz WEHLAKRWDPLOIA-UHFFFAOYSA-N 1 0 335.360 1.654 20 5 EDBDRO [NH3+]CC12CC(C1)CN2C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000595944455 449272101 /nfs/dbraw/zinc/27/21/01/449272101.db2.gz XYIKXZQDCDKTJA-UHFFFAOYSA-N 1 0 327.344 1.344 20 5 EDBDRO C[NH+]1CCC2(CC1)CC(=O)NN(c1ccc([N+](=O)[O-])cc1F)C2=O ZINC000601938439 449236036 /nfs/dbraw/zinc/23/60/36/449236036.db2.gz HWGAVONKWCTKPE-UHFFFAOYSA-N 1 0 336.323 1.214 20 5 EDBDRO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611265615 449242170 /nfs/dbraw/zinc/24/21/70/449242170.db2.gz MPAHOWAKCKMZHG-GFCCVEGCSA-N 1 0 335.360 1.596 20 5 EDBDRO COc1cc(C[NH2+]CC2COC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000600210480 449245533 /nfs/dbraw/zinc/24/55/33/449245533.db2.gz JQZKBMWBLRPVTC-UHFFFAOYSA-N 1 0 332.303 1.983 20 5 EDBDRO O=[N+]([O-])c1ccc2ncnc(N[C@@H](CO)C[NH+]3CCCCC3)c2c1 ZINC000590702025 449252536 /nfs/dbraw/zinc/25/25/36/449252536.db2.gz NXWCWVKPJVSIQX-GFCCVEGCSA-N 1 0 331.376 1.797 20 5 EDBDRO CN1CCCC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000601970940 449253355 /nfs/dbraw/zinc/25/33/55/449253355.db2.gz RFRIQSACJPQYRN-HNNXBMFYSA-N 1 0 348.403 1.866 20 5 EDBDRO C[C@H](NC(=O)c1cnnn1C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000595920997 449254611 /nfs/dbraw/zinc/25/46/11/449254611.db2.gz ZLOCRWHSKMUXNI-NSHDSACASA-N 1 0 344.375 1.602 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000595940760 449268379 /nfs/dbraw/zinc/26/83/79/449268379.db2.gz VKQQDFXQBAEWIU-ZDUSSCGKSA-N 1 0 331.294 1.796 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)CC2C[NH+](C)C2)cc1SC ZINC000598165773 449270074 /nfs/dbraw/zinc/27/00/74/449270074.db2.gz YRYPYBRPBWEUIH-UHFFFAOYSA-N 1 0 339.417 1.959 20 5 EDBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000595981937 449297400 /nfs/dbraw/zinc/29/74/00/449297400.db2.gz HICDBVGWERBKIR-NSHDSACASA-N 1 0 345.403 1.794 20 5 EDBDRO C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000595982606 449297537 /nfs/dbraw/zinc/29/75/37/449297537.db2.gz JVSSIGGFBBGYJI-WFASDCNBSA-N 1 0 348.403 1.232 20 5 EDBDRO COC(=O)[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CC[N@H+](C)C1 ZINC000593479231 449302729 /nfs/dbraw/zinc/30/27/29/449302729.db2.gz IVYWKSIOFAIOQE-GFCCVEGCSA-N 1 0 344.371 1.684 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@]23CCNC3=O)cccc1[N+](=O)[O-] ZINC000593998338 449317659 /nfs/dbraw/zinc/31/76/59/449317659.db2.gz HKMSVMUBBSXAFS-QGZVFWFLSA-N 1 0 346.387 1.586 20 5 EDBDRO O=C(C[N@H+]1CCCCC[C@@H]1CO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000594017371 449323927 /nfs/dbraw/zinc/32/39/27/449323927.db2.gz XDZARRGHGDSPIQ-OAHLLOKOSA-N 1 0 333.388 1.721 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590765377 449285509 /nfs/dbraw/zinc/28/55/09/449285509.db2.gz SUMXUWHWPSIQBA-UKRRQHHQSA-N 1 0 331.372 1.720 20 5 EDBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@H](C)[NH+](C)C ZINC000596088895 449357505 /nfs/dbraw/zinc/35/75/05/449357505.db2.gz AHTWQZXIGGNOFQ-NSHDSACASA-N 1 0 344.437 1.645 20 5 EDBDRO Cn1cc(CN2CC[C@@H](F)[C@H]([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596107100 449364920 /nfs/dbraw/zinc/36/49/20/449364920.db2.gz QJJVZHUZYSWNKO-HUUCEWRRSA-N 1 0 333.367 1.866 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C[NH+]1CCCC1 ZINC000593533745 449330005 /nfs/dbraw/zinc/33/00/05/449330005.db2.gz CJRBOMSOKTUZGZ-NSHDSACASA-N 1 0 328.394 1.000 20 5 EDBDRO CC(C)N1CC[NH+](C2CCN(c3ccc(N)c([N+](=O)[O-])n3)CC2)CC1 ZINC000596177068 449398491 /nfs/dbraw/zinc/39/84/91/449398491.db2.gz CYHUZDVUQVTHMS-UHFFFAOYSA-N 1 0 348.451 1.567 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1(C)C ZINC000602168285 449399191 /nfs/dbraw/zinc/39/91/91/449399191.db2.gz BWXBJMVJOIRMIO-OLZOCXBDSA-N 1 0 335.360 1.782 20 5 EDBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594228823 449400271 /nfs/dbraw/zinc/40/02/71/449400271.db2.gz FPVNFBNMRQVLFL-ZIAGYGMSSA-N 1 0 336.396 1.107 20 5 EDBDRO CC(C)[C@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000596205459 449412631 /nfs/dbraw/zinc/41/26/31/449412631.db2.gz JNGKAWMKAOOSAN-CYBMUJFWSA-N 1 0 342.421 1.019 20 5 EDBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000598540245 449455225 /nfs/dbraw/zinc/45/52/25/449455225.db2.gz NDQIFOBYVZORAN-MRXNPFEDSA-N 1 0 335.404 1.707 20 5 EDBDRO COc1cc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000598571927 449470586 /nfs/dbraw/zinc/47/05/86/449470586.db2.gz CLDQFUHFASIJEU-LBPRGKRZSA-N 1 0 337.376 1.682 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000600668810 449482751 /nfs/dbraw/zinc/48/27/51/449482751.db2.gz AXAVPSHVFZRTLJ-JYAVWHMHSA-N 1 0 339.417 1.392 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000596364164 449483229 /nfs/dbraw/zinc/48/32/29/449483229.db2.gz YICIYCGGDMDKTJ-LBPRGKRZSA-N 1 0 326.445 1.804 20 5 EDBDRO O=[N+]([O-])c1ccccc1/C=C\CNCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000600681216 449488548 /nfs/dbraw/zinc/48/85/48/449488548.db2.gz XQTBGOVKBOFBCS-UYWPIULCSA-N 1 0 328.376 1.524 20 5 EDBDRO Nc1nc(N2CCC([NH2+]Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000596252812 449441136 /nfs/dbraw/zinc/44/11/36/449441136.db2.gz SILRTZUCUFCBNJ-UHFFFAOYSA-N 1 0 328.376 1.726 20 5 EDBDRO [NH3+]C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000594451035 449526256 /nfs/dbraw/zinc/52/62/56/449526256.db2.gz CWAHAEREZJRRHE-LLVKDONJSA-N 1 0 334.298 1.793 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000594473949 449538876 /nfs/dbraw/zinc/53/88/76/449538876.db2.gz AMCYIFCJYOKTBL-BETUJISGSA-N 1 0 341.433 1.830 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000596537852 449545691 /nfs/dbraw/zinc/54/56/91/449545691.db2.gz IKSWTULICNAIAP-LBPRGKRZSA-N 1 0 326.784 1.679 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000594484808 449548267 /nfs/dbraw/zinc/54/82/67/449548267.db2.gz VBHVOZSOJDKLML-GJZGRUSLSA-N 1 0 339.417 1.890 20 5 EDBDRO COC(=O)c1ccnc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000598628386 449506199 /nfs/dbraw/zinc/50/61/99/449506199.db2.gz RKNDDESZXYZTCF-INIZCTEOSA-N 1 0 334.376 1.699 20 5 EDBDRO C[NH2+]C1(CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000600824765 449566339 /nfs/dbraw/zinc/56/63/39/449566339.db2.gz OZRTUCGTUCAFPH-UHFFFAOYSA-N 1 0 330.344 1.721 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000594591776 449585981 /nfs/dbraw/zinc/58/59/81/449585981.db2.gz KDHWTNZPESPMRV-DTORHVGOSA-N 1 0 333.435 1.812 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598714720 449558969 /nfs/dbraw/zinc/55/89/69/449558969.db2.gz JLCAQAQHXPDKJI-JQWIXIFHSA-N 1 0 327.406 1.569 20 5 EDBDRO COc1cc(C[NH2+][C@@H]2CCc3c(nnn3C)C2)c([N+](=O)[O-])cc1OC ZINC000594515643 449559534 /nfs/dbraw/zinc/55/95/34/449559534.db2.gz OVRHGRYISKYRHV-LLVKDONJSA-N 1 0 347.375 1.388 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C1 ZINC000598716808 449560521 /nfs/dbraw/zinc/56/05/21/449560521.db2.gz QNRSNXXLPFVFAN-CYBMUJFWSA-N 1 0 341.433 1.832 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598720316 449561886 /nfs/dbraw/zinc/56/18/86/449561886.db2.gz OGGKNZQQCNGQKJ-FZMZJTMJSA-N 1 0 325.390 1.405 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c1[N+](=O)[O-] ZINC000598722876 449562885 /nfs/dbraw/zinc/56/28/85/449562885.db2.gz DMHFEEBLARZHLT-IUODEOHRSA-N 1 0 339.417 1.714 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598721637 449563279 /nfs/dbraw/zinc/56/32/79/449563279.db2.gz WMMXPGJRMBUTIS-SMDDNHRTSA-N 1 0 325.390 1.405 20 5 EDBDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000602471751 449618645 /nfs/dbraw/zinc/61/86/45/449618645.db2.gz HNODTKPYIQEWOS-RDJZCZTQSA-N 1 0 348.403 1.010 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000602579532 449685298 /nfs/dbraw/zinc/68/52/98/449685298.db2.gz AFJLNFQKODDUSI-HNNXBMFYSA-N 1 0 348.403 1.529 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3[nH+]ccc(N)c3C2)n1 ZINC000598943576 449661414 /nfs/dbraw/zinc/66/14/14/449661414.db2.gz RZXYZDFXNYJNDN-UHFFFAOYSA-N 1 0 329.316 1.316 20 5 EDBDRO CC(C)N1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1=O ZINC000602555434 449670894 /nfs/dbraw/zinc/67/08/94/449670894.db2.gz QWEZBTYUVQWCQJ-HNNXBMFYSA-N 1 0 347.419 1.558 20 5 EDBDRO C[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C(=O)N1c1cnn(C)c1 ZINC000602558704 449673908 /nfs/dbraw/zinc/67/39/08/449673908.db2.gz DFVWYJNGXRJCSA-BLLLJJGKSA-N 1 0 343.387 1.654 20 5 EDBDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ncccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000594759494 449674931 /nfs/dbraw/zinc/67/49/31/449674931.db2.gz OJFYMOOQAVTAMQ-MNOVXSKESA-N 1 0 328.394 1.093 20 5 EDBDRO COC[C@]1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCCC[NH2+]1 ZINC000602502256 449633544 /nfs/dbraw/zinc/63/35/44/449633544.db2.gz GEBNMUOWDWNHMA-INIZCTEOSA-N 1 0 334.376 1.033 20 5 EDBDRO CN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC000598897517 449635349 /nfs/dbraw/zinc/63/53/49/449635349.db2.gz GCOUVMQWOIPBJV-AWEZNQCLSA-N 1 0 349.391 1.269 20 5 EDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598902473 449639651 /nfs/dbraw/zinc/63/96/51/449639651.db2.gz NFQXNGLYSIGODM-VXGBXAGGSA-N 1 0 349.391 1.267 20 5 EDBDRO COC(=O)CCN1CCC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000594714587 449642066 /nfs/dbraw/zinc/64/20/66/449642066.db2.gz KAJAOQVHFKVAKI-IUODEOHRSA-N 1 0 349.387 1.800 20 5 EDBDRO COC1CC(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000594718255 449644901 /nfs/dbraw/zinc/64/49/01/449644901.db2.gz MDZNRNQSLMTQGR-UHFFFAOYSA-N 1 0 342.417 1.773 20 5 EDBDRO CC(C)(C)N1CC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000594791290 449700592 /nfs/dbraw/zinc/70/05/92/449700592.db2.gz NQVJWEVZWGMPDI-VIFPVBQESA-N 1 0 333.435 1.807 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000594800856 449711691 /nfs/dbraw/zinc/71/16/91/449711691.db2.gz IJZOXDCQSWCQSN-ZDUSSCGKSA-N 1 0 341.433 1.887 20 5 EDBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601142564 449713135 /nfs/dbraw/zinc/71/31/35/449713135.db2.gz UYHFRADUXVYJSC-UHFFFAOYSA-N 1 0 338.383 1.443 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)C1 ZINC000602647381 449727670 /nfs/dbraw/zinc/72/76/70/449727670.db2.gz HVYFJIGOFFJMAH-RYUDHWBXSA-N 1 0 334.376 1.623 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NCC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000594821177 449729630 /nfs/dbraw/zinc/72/96/30/449729630.db2.gz JYTKXOIFYSGTNJ-LBPRGKRZSA-N 1 0 329.422 1.830 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000599098834 449730861 /nfs/dbraw/zinc/73/08/61/449730861.db2.gz CKLISUHULALHBG-LBPRGKRZSA-N 1 0 343.405 1.222 20 5 EDBDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602654706 449731595 /nfs/dbraw/zinc/73/15/95/449731595.db2.gz RNQJILUZBWWIQJ-SWLSCSKDSA-N 1 0 346.387 1.838 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000599105554 449736461 /nfs/dbraw/zinc/73/64/61/449736461.db2.gz YTMRXCHMMXMKCG-NWDGAFQWSA-N 1 0 347.824 1.975 20 5 EDBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602590787 449690732 /nfs/dbraw/zinc/69/07/32/449690732.db2.gz ZMESZLXGKICZOV-ONGXEEELSA-N 1 0 326.150 1.544 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000612580649 449784060 /nfs/dbraw/zinc/78/40/60/449784060.db2.gz OKLNHCMXCCODJZ-WBMJQRKESA-N 1 0 343.387 1.920 20 5 EDBDRO C[NH+](C)C[C@]1(O)CCCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601188557 449740154 /nfs/dbraw/zinc/74/01/54/449740154.db2.gz JMAUQVJNNUEMJA-MRXNPFEDSA-N 1 0 331.376 1.431 20 5 EDBDRO CC(C)Oc1nc(N2CC(C[NH+]3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000599107773 449740503 /nfs/dbraw/zinc/74/05/03/449740503.db2.gz LXEAOASQDUHTED-UHFFFAOYSA-N 1 0 349.435 1.461 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599108557 449741471 /nfs/dbraw/zinc/74/14/71/449741471.db2.gz VRHYRFBCXVUGBJ-CYBMUJFWSA-N 1 0 341.389 1.166 20 5 EDBDRO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000599111563 449742177 /nfs/dbraw/zinc/74/21/77/449742177.db2.gz KDNAIIUWQHHUQA-GXSJLCMTSA-N 1 0 336.373 1.172 20 5 EDBDRO COC(=O)[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602719326 449765424 /nfs/dbraw/zinc/76/54/24/449765424.db2.gz OUBKPBBGLPXLCH-BJHJDKERSA-N 1 0 334.376 1.500 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000599159578 449769308 /nfs/dbraw/zinc/76/93/08/449769308.db2.gz BQTMLPZDAYESSJ-UHFFFAOYSA-N 1 0 337.424 1.811 20 5 EDBDRO C[C@H]1OCC[C@@H]1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000602796703 449816264 /nfs/dbraw/zinc/81/62/64/449816264.db2.gz YLYHESVWXLFAES-UKRRQHHQSA-N 1 0 333.388 1.778 20 5 EDBDRO CCN1CCC[C@@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000601314120 449823898 /nfs/dbraw/zinc/82/38/98/449823898.db2.gz YXVUUZJFIPVCGJ-LLVKDONJSA-N 1 0 345.396 1.805 20 5 EDBDRO [NH3+][C@H]1CCCCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000601324945 449833495 /nfs/dbraw/zinc/83/34/95/449833495.db2.gz RHIMNTNEJDHTMF-XJKSGUPXSA-N 1 0 332.404 1.903 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000602825234 449836951 /nfs/dbraw/zinc/83/69/51/449836951.db2.gz KDUFKSUBHQMUFN-HEHGZKQESA-N 1 0 338.408 1.758 20 5 EDBDRO CCOC(=O)C[C@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000599265444 449843509 /nfs/dbraw/zinc/84/35/09/449843509.db2.gz VCAJLQIQTIVHCY-HNNXBMFYSA-N 1 0 337.376 1.031 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])s1 ZINC000601334982 449844000 /nfs/dbraw/zinc/84/40/00/449844000.db2.gz PNNAJVSXOJBAHX-NSHDSACASA-N 1 0 345.446 1.824 20 5 EDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601364109 449877512 /nfs/dbraw/zinc/87/75/12/449877512.db2.gz DECUMXVWFAHEDA-MRXNPFEDSA-N 1 0 335.404 1.445 20 5 EDBDRO COCC[N@@H+]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C(C)(C)C1 ZINC000602870259 449879701 /nfs/dbraw/zinc/87/97/01/449879701.db2.gz MSZBNLPVAHGSHL-UHFFFAOYSA-N 1 0 325.413 1.142 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1([NH3+])CCCC1 ZINC000595119525 449879812 /nfs/dbraw/zinc/87/98/12/449879812.db2.gz DVILFUNANKYFHU-UHFFFAOYSA-N 1 0 327.406 1.707 20 5 EDBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H](Cn3ccnn3)C1)OCCO2 ZINC000597173672 449853518 /nfs/dbraw/zinc/85/35/18/449853518.db2.gz GVWLWZKZQGIUGS-LBPRGKRZSA-N 1 0 345.359 1.480 20 5 EDBDRO Cc1sc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000601420700 449937535 /nfs/dbraw/zinc/93/75/35/449937535.db2.gz FKUHXQPGXOMLEI-SCZZXKLOSA-N 1 0 333.435 1.678 20 5 EDBDRO C[NH+](C)CCn1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cn1 ZINC000608879524 449948240 /nfs/dbraw/zinc/94/82/40/449948240.db2.gz WRACVTDNBHCIMQ-UHFFFAOYSA-N 1 0 336.327 1.327 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000608960012 449953439 /nfs/dbraw/zinc/95/34/39/449953439.db2.gz UCSPKSYJOCILNL-NEPJUHHUSA-N 1 0 347.371 1.723 20 5 EDBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000602894086 449902568 /nfs/dbraw/zinc/90/25/68/449902568.db2.gz YGSYVXQLMCXNKE-NSHDSACASA-N 1 0 335.330 1.750 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000602897950 449904229 /nfs/dbraw/zinc/90/42/29/449904229.db2.gz VIYAIXYYJVXTHF-CABCVRRESA-N 1 0 332.408 1.834 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000595268333 449989627 /nfs/dbraw/zinc/98/96/27/449989627.db2.gz GMOUMCHEVUKRCD-HUUCEWRRSA-N 1 0 347.350 1.192 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000601468918 449991380 /nfs/dbraw/zinc/99/13/80/449991380.db2.gz VYHNDABJHHALBN-NSHDSACASA-N 1 0 345.396 1.805 20 5 EDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000609269921 449995624 /nfs/dbraw/zinc/99/56/24/449995624.db2.gz ZTVHPDSLLNNFOX-ZDUSSCGKSA-N 1 0 337.376 1.444 20 5 EDBDRO COc1cccc(C(=O)Nc2cnn(CC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000618092056 450003275 /nfs/dbraw/zinc/00/32/75/450003275.db2.gz YOIZISANXJXLNV-UHFFFAOYSA-N 1 0 333.348 1.614 20 5 EDBDRO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000609625450 450075006 /nfs/dbraw/zinc/07/50/06/450075006.db2.gz NEHYJYTUDUECQD-CYBMUJFWSA-N 1 0 343.405 1.117 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000609624100 450073552 /nfs/dbraw/zinc/07/35/52/450073552.db2.gz XOXMNWQODUQPGW-UHFFFAOYSA-N 1 0 334.420 1.661 20 5 EDBDRO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000609631696 450076909 /nfs/dbraw/zinc/07/69/09/450076909.db2.gz OLJMVFSHXLQVPO-LBPRGKRZSA-N 1 0 337.376 1.900 20 5 EDBDRO CNc1c(C(=O)Nc2cnn(CC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000613229198 450092011 /nfs/dbraw/zinc/09/20/11/450092011.db2.gz IIPOSCJGODXNCI-UHFFFAOYSA-N 1 0 332.364 1.647 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)c2nccn2C)c1[N+](=O)[O-] ZINC000595384219 450099040 /nfs/dbraw/zinc/09/90/40/450099040.db2.gz ULCTVYIMJNYBHO-NSHDSACASA-N 1 0 338.389 1.985 20 5 EDBDRO C[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000615494157 450115163 /nfs/dbraw/zinc/11/51/63/450115163.db2.gz BDCXKQYSXBTTOL-ZDUSSCGKSA-N 1 0 332.404 1.971 20 5 EDBDRO COc1cc(Cn2cc(C[C@@H]3CCC[NH2+]C3)nn2)ccc1[N+](=O)[O-] ZINC000603245126 450173464 /nfs/dbraw/zinc/17/34/64/450173464.db2.gz YEUZKBYREQWIHO-LBPRGKRZSA-N 1 0 331.376 1.785 20 5 EDBDRO CCC1([NH+]2CCOCC2)CCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000599663562 450137015 /nfs/dbraw/zinc/13/70/15/450137015.db2.gz IBBSIHKEYPRCCV-UHFFFAOYSA-N 1 0 338.408 1.968 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC[N@H+]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000610409268 450210040 /nfs/dbraw/zinc/21/00/40/450210040.db2.gz DVMXVZSOHWEJCZ-LBPRGKRZSA-N 1 0 327.406 1.523 20 5 EDBDRO CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595567708 450239409 /nfs/dbraw/zinc/23/94/09/450239409.db2.gz MOEJRPVOKDFFES-NSHDSACASA-N 1 0 336.270 1.392 20 5 EDBDRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599832695 450241154 /nfs/dbraw/zinc/24/11/54/450241154.db2.gz ILWHXGSSIOOSRK-INIZCTEOSA-N 1 0 345.359 1.331 20 5 EDBDRO CN1CCN(C(=O)C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000618567084 450247373 /nfs/dbraw/zinc/24/73/73/450247373.db2.gz SNTUWJHSKCRMCF-INIZCTEOSA-N 1 0 332.404 1.336 20 5 EDBDRO C[NH+](C)CCCOc1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000619789706 450334541 /nfs/dbraw/zinc/33/45/41/450334541.db2.gz DKAFPBFNLBCDLI-UHFFFAOYSA-N 1 0 333.348 1.901 20 5 EDBDRO COc1cc(C[NH2+]CCN2CCOC(C)(C)C2)c([N+](=O)[O-])cc1O ZINC000171766556 533875256 /nfs/dbraw/zinc/87/52/56/533875256.db2.gz NQYZZTSRYSBKDR-UHFFFAOYSA-N 1 0 339.392 1.509 20 5 EDBDRO O=C(Nc1ccncc1[N+](=O)[O-])NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000183568678 534423995 /nfs/dbraw/zinc/42/39/95/534423995.db2.gz ZKVIZXAPGPQCHK-GFCCVEGCSA-N 1 0 349.391 1.612 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000174026435 527838663 /nfs/dbraw/zinc/83/86/63/527838663.db2.gz YXLYWJYIZFWQDK-CYBMUJFWSA-N 1 0 341.433 1.866 20 5 EDBDRO CC1(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]CC1 ZINC000183344530 527978469 /nfs/dbraw/zinc/97/84/69/527978469.db2.gz VRJKIWSRXOHDRP-UHFFFAOYSA-N 1 0 343.387 1.900 20 5 EDBDRO CC1([C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)OCCO1 ZINC000183827296 528053497 /nfs/dbraw/zinc/05/34/97/528053497.db2.gz HSDQXYPAMCLXPL-CYBMUJFWSA-N 1 0 337.376 1.232 20 5 EDBDRO CCOc1cc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000153343706 528219495 /nfs/dbraw/zinc/21/94/95/528219495.db2.gz POPQLVVQWADXKZ-GHMZBOCLSA-N 1 0 337.376 1.825 20 5 EDBDRO CCC[NH2+]CCNC(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] ZINC000236820786 535171998 /nfs/dbraw/zinc/17/19/98/535171998.db2.gz HUPBMZOASYYAIW-UHFFFAOYSA-N 1 0 325.365 1.732 20 5 EDBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000237047315 535460255 /nfs/dbraw/zinc/46/02/55/535460255.db2.gz UIRNLNQYTLWIFR-UHFFFAOYSA-N 1 0 341.433 1.913 20 5 EDBDRO CC[NH+](CC)CCS(=O)(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000352874886 535560261 /nfs/dbraw/zinc/56/02/61/535560261.db2.gz WWENVXNEFIGWTQ-UHFFFAOYSA-N 1 0 343.449 1.741 20 5 EDBDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000195140044 535653811 /nfs/dbraw/zinc/65/38/11/535653811.db2.gz WXIQXUUIYRBDSY-MEBBXXQBSA-N 1 0 339.392 1.644 20 5 EDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269877647 535950474 /nfs/dbraw/zinc/95/04/74/535950474.db2.gz JOTQZZWKSPHSIY-AWEZNQCLSA-N 1 0 344.799 1.360 20 5 EDBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000237321574 536468026 /nfs/dbraw/zinc/46/80/26/536468026.db2.gz WZSQSUTXOKPWPX-GFCCVEGCSA-N 1 0 327.406 1.442 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000741579881 579421177 /nfs/dbraw/zinc/42/11/77/579421177.db2.gz QZUZAEOAKWDHIC-DOMZBBRYSA-N 1 0 345.403 1.743 20 5 EDBDRO O=C1OCCN1CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743862991 579492774 /nfs/dbraw/zinc/49/27/74/579492774.db2.gz NRUGQLAZELMRNU-UHFFFAOYSA-N 1 0 335.360 1.890 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](CCc2ccccc2)C2CC2)c1 ZINC000743842843 579491916 /nfs/dbraw/zinc/49/19/16/579491916.db2.gz MSSQXEKGFPLSFH-QGZVFWFLSA-N 1 0 330.388 1.859 20 5 EDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000726165198 578335292 /nfs/dbraw/zinc/33/52/92/578335292.db2.gz WXBZQBRGYDLGOS-OLZOCXBDSA-N 1 0 344.371 1.669 20 5 EDBDRO C[N@H+](CCCNC(=O)C1CCC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000759998795 580021244 /nfs/dbraw/zinc/02/12/44/580021244.db2.gz JZGVZAYBNURNHO-MRXNPFEDSA-N 1 0 335.404 1.866 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000730157727 578618494 /nfs/dbraw/zinc/61/84/94/578618494.db2.gz XOOKTIZNECCHIX-LBPRGKRZSA-N 1 0 337.449 1.517 20 5 EDBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000733290879 578757100 /nfs/dbraw/zinc/75/71/00/578757100.db2.gz BYYVSIKHHWTJIV-IUODEOHRSA-N 1 0 343.387 1.640 20 5 EDBDRO COC(=O)[C@H](C)C[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])cnc21)C1CC1 ZINC000749944493 579744603 /nfs/dbraw/zinc/74/46/03/579744603.db2.gz FAFRVEKIEWCSTD-SNVBAGLBSA-N 1 0 347.375 1.879 20 5 EDBDRO C[NH+](C)C[C@H](O)CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000765004859 580133077 /nfs/dbraw/zinc/13/30/77/580133077.db2.gz BRDVFMBRPMTFSS-CQSZACIVSA-N 1 0 346.387 1.903 20 5 EDBDRO O=[N+]([O-])c1c(NC2CC[NH+]([C@H]3CCOC3)CC2)nc2ccccn21 ZINC000770445913 580260668 /nfs/dbraw/zinc/26/06/68/580260668.db2.gz OFNAPGQTTJLJPX-ZDUSSCGKSA-N 1 0 331.376 1.908 20 5 EDBDRO CC(C)C(=O)N1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278275 580413837 /nfs/dbraw/zinc/41/38/37/580413837.db2.gz TUVMRPXDCQHKND-INIZCTEOSA-N 1 0 335.404 1.865 20 5 EDBDRO Cc1nnc([C@@H]2CCC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000776586247 580422558 /nfs/dbraw/zinc/42/25/58/580422558.db2.gz LRIODRFMFRFJQZ-HIFRSBDPSA-N 1 0 331.376 1.934 20 5 EDBDRO CC(C)(C)OC(=O)N1CC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000783650537 580603516 /nfs/dbraw/zinc/60/35/16/580603516.db2.gz JXUKHDNXEFFNGN-AWEZNQCLSA-N 1 0 337.376 1.837 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)C[C@@H]2C1 ZINC000793924048 580860498 /nfs/dbraw/zinc/86/04/98/580860498.db2.gz BOLNBIQOMYFOSP-MNOVXSKESA-N 1 0 333.344 1.347 20 5 EDBDRO CC(C)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](O)c1ccccc1 ZINC000794603616 580899568 /nfs/dbraw/zinc/89/95/68/580899568.db2.gz LQQCBIYFYSGNAW-IXDOHACOSA-N 1 0 348.403 1.500 20 5 EDBDRO C[C@]1(C(N)=O)CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000794706016 580903792 /nfs/dbraw/zinc/90/37/92/580903792.db2.gz SWPFDQPLWACMOK-HNNXBMFYSA-N 1 0 330.348 1.008 20 5 EDBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000738358439 598855705 /nfs/dbraw/zinc/85/57/05/598855705.db2.gz MFKPROYDZGWFOO-GFCCVEGCSA-N 1 0 343.391 1.697 20 5 EDBDRO CN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[N@H+](C)CC1 ZINC000888998926 590753684 /nfs/dbraw/zinc/75/36/84/590753684.db2.gz RBVOPTUXCLVEPU-DLBZAZTESA-N 1 0 346.431 1.404 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000892203220 590863019 /nfs/dbraw/zinc/86/30/19/590863019.db2.gz SDSZSHAQWWOCTL-LBPRGKRZSA-N 1 0 336.392 1.887 20 5 EDBDRO C[C@@H]1CC[N@H+](CCNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000891612128 591150006 /nfs/dbraw/zinc/15/00/06/591150006.db2.gz MKIXAVXIUPKBIP-CYBMUJFWSA-N 1 0 335.408 1.648 20 5 EDBDRO C[C@@]1(NC(=O)CCNc2ccccc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000892789925 591179726 /nfs/dbraw/zinc/17/97/26/591179726.db2.gz VSLRIMVLPOTTAV-QGZVFWFLSA-N 1 0 332.404 1.997 20 5 EDBDRO C[NH+](C)C[C@@](C)(O)CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC000892956000 591238821 /nfs/dbraw/zinc/23/88/21/591238821.db2.gz QYDPOHZOYBUGIQ-HNNXBMFYSA-N 1 0 338.795 1.943 20 5 EDBDRO COc1ccc2ncc([N+](=O)[O-])c(N(C)CC[N@H+](C)CCO)c2c1 ZINC000894592292 591361235 /nfs/dbraw/zinc/36/12/35/591361235.db2.gz SECJEHLKUUCTLQ-UHFFFAOYSA-N 1 0 334.376 1.512 20 5 EDBDRO CNC(=O)c1ccc(NC[C@H]2CC[N@@H+]2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000896517454 591488750 /nfs/dbraw/zinc/48/87/50/591488750.db2.gz GBFLOAKSHHXYHQ-CQSZACIVSA-N 1 0 348.403 1.620 20 5 EDBDRO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000896536072 591501112 /nfs/dbraw/zinc/50/11/12/591501112.db2.gz UXVFHBKPZHQWDZ-ZFVVBOAOSA-N 1 0 346.431 1.449 20 5 EDBDRO CCn1cnc2c1CCN(c1ccc([N+](=O)[O-])cc1C(=O)NC)C2 ZINC000896660001 591565822 /nfs/dbraw/zinc/56/58/22/591565822.db2.gz QLWWUTBATJKYAE-UHFFFAOYSA-N 1 0 329.360 1.734 20 5 EDBDRO Cn1c2ccccc2c(NC[C@@H]2CSCC[NH2+]2)c([N+](=O)[O-])c1=O ZINC000895125614 591602796 /nfs/dbraw/zinc/60/27/96/591602796.db2.gz WCOKKGCNQCIJCA-SNVBAGLBSA-N 1 0 334.401 1.564 20 5 EDBDRO CN1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC[N@H+](C)CC1 ZINC000897099024 591739865 /nfs/dbraw/zinc/73/98/65/591739865.db2.gz WFBVHXHKXICPNH-UHFFFAOYSA-N 1 0 330.392 1.222 20 5 EDBDRO CC[NH+]1CCC(NC(=O)COc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000902298804 591970025 /nfs/dbraw/zinc/97/00/25/591970025.db2.gz RZZDOLOJUXFNPE-UHFFFAOYSA-N 1 0 325.340 1.713 20 5 EDBDRO O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000902641071 592034492 /nfs/dbraw/zinc/03/44/92/592034492.db2.gz URRMUVWLOPPKRU-IRXDYDNUSA-N 1 0 345.403 1.433 20 5 EDBDRO O=C(N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C12CC[NH+](CC1)C2 ZINC000900744357 592116107 /nfs/dbraw/zinc/11/61/07/592116107.db2.gz BZGGFXHKOJLGJD-LBPRGKRZSA-N 1 0 331.376 1.098 20 5 EDBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCc3c(nnn3C)C2)cc([N+](=O)[O-])c1 ZINC000903197200 592133918 /nfs/dbraw/zinc/13/39/18/592133918.db2.gz WNBVLEONVRCRTC-CMPLNLGQSA-N 1 0 331.376 1.940 20 5 EDBDRO CN1CCOC[C@]1(CO)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000903278715 592150420 /nfs/dbraw/zinc/15/04/20/592150420.db2.gz NIGLFZKQHRKNQQ-QZTJIDSGSA-N 1 0 349.431 1.645 20 5 EDBDRO CO[C@@]1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCS(=O)(=O)C1 ZINC000903370616 592162166 /nfs/dbraw/zinc/16/21/66/592162166.db2.gz IPHMDAABNXSMDK-BXUZGUMPSA-N 1 0 328.390 1.449 20 5 EDBDRO O=C(CCN[C@H]1CC[NH2+]C12CCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000903472302 592175703 /nfs/dbraw/zinc/17/57/03/592175703.db2.gz RJYAQLOLHXHZRG-AWEZNQCLSA-N 1 0 336.367 1.937 20 5 EDBDRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000903493500 592185617 /nfs/dbraw/zinc/18/56/17/592185617.db2.gz SYUHDOQQTXEKKA-OZVIIMIRSA-N 1 0 337.351 1.446 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000903593140 592236588 /nfs/dbraw/zinc/23/65/88/592236588.db2.gz KFXXZLXWDWYYKR-OAHLLOKOSA-N 1 0 339.417 1.295 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)c(F)cc1[N+](=O)[O-] ZINC000903593399 592237334 /nfs/dbraw/zinc/23/73/34/592237334.db2.gz ZVUBMTXJUIXDLZ-AWEZNQCLSA-N 1 0 343.380 1.559 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2c3ccccc3CC[C@H]2F)c1 ZINC000905450291 592529790 /nfs/dbraw/zinc/52/97/90/592529790.db2.gz BGTLOBDNFYQQGL-FVQBIDKESA-N 1 0 334.351 1.767 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@H](C4OCCO4)C3)n2)c1 ZINC000905692630 592624026 /nfs/dbraw/zinc/62/40/26/592624026.db2.gz AVSAVJNNGGZNOR-ZDUSSCGKSA-N 1 0 345.359 1.506 20 5 EDBDRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000905693365 592624348 /nfs/dbraw/zinc/62/43/48/592624348.db2.gz ORQAZANWAZQXJK-ISOBSLSZSA-N 1 0 339.779 1.965 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000907518349 592700367 /nfs/dbraw/zinc/70/03/67/592700367.db2.gz GTLSZMVMNWLXSU-CHWSQXEVSA-N 1 0 349.387 1.969 20 5 EDBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000808160108 593230974 /nfs/dbraw/zinc/23/09/74/593230974.db2.gz NBZGUOYJPMTLQJ-VXGBXAGGSA-N 1 0 339.779 1.529 20 5 EDBDRO CO[C@@H]1CCCN(Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)C1 ZINC000103265064 593239705 /nfs/dbraw/zinc/23/97/05/593239705.db2.gz FEAOTBTYMOCSNL-CQSZACIVSA-N 1 0 346.387 1.924 20 5 EDBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000808782627 593288022 /nfs/dbraw/zinc/28/80/22/593288022.db2.gz AETUQJOEWUFDDS-RANZSIQMSA-N 1 0 347.415 1.865 20 5 EDBDRO COC(=O)[C@H]1CSCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839672537 593367436 /nfs/dbraw/zinc/36/74/36/593367436.db2.gz VYTUDVZCRROASH-OCCSQVGLSA-N 1 0 340.401 1.466 20 5 EDBDRO C[NH+]1CC[C@@H]2CN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000812339590 593498605 /nfs/dbraw/zinc/49/86/05/593498605.db2.gz BYYUWBYNPXUPAU-KOLCDFICSA-N 1 0 347.400 1.623 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)[C@@H]2C1 ZINC000816955134 593563549 /nfs/dbraw/zinc/56/35/49/593563549.db2.gz UVNFTSOKMABYMH-SUMWQHHRSA-N 1 0 344.415 1.971 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000818565152 593705072 /nfs/dbraw/zinc/70/50/72/593705072.db2.gz QNTWPVGHJMPAJA-QWHCGFSZSA-N 1 0 348.403 1.241 20 5 EDBDRO COC[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCC[NH2+]1 ZINC000818590191 593706155 /nfs/dbraw/zinc/70/61/55/593706155.db2.gz WAPLDPIZPBZCGT-CQSZACIVSA-N 1 0 327.768 1.747 20 5 EDBDRO CC(C)(C)[S@](=O)CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819057366 593736225 /nfs/dbraw/zinc/73/62/25/593736225.db2.gz VSRXIBHVOFRAIZ-ZAMGYDSWSA-N 1 0 344.433 1.471 20 5 EDBDRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819076009 593737406 /nfs/dbraw/zinc/73/74/06/593737406.db2.gz SISHBBMYFMSJBL-FMKPAKJESA-N 1 0 335.404 1.865 20 5 EDBDRO COC[C@@H](C)OC[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000819150845 593741585 /nfs/dbraw/zinc/74/15/85/593741585.db2.gz SKDAMKKAXHZOGU-MFKMUULPSA-N 1 0 332.784 1.750 20 5 EDBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000821057154 593955587 /nfs/dbraw/zinc/95/55/87/593955587.db2.gz MVDNKFKVAPRJNV-DJIMGWMZSA-N 1 0 347.415 1.661 20 5 EDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821088756 593963152 /nfs/dbraw/zinc/96/31/52/593963152.db2.gz UWTOEOVAQIKKAU-NSHDSACASA-N 1 0 346.395 1.338 20 5 EDBDRO CC[NH+]1CCN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000821917589 593965768 /nfs/dbraw/zinc/96/57/68/593965768.db2.gz GNUASPLRVJXKQR-UHFFFAOYSA-N 1 0 338.383 1.491 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821268127 594003503 /nfs/dbraw/zinc/00/35/03/594003503.db2.gz UDFQYDIVDFBQOI-LBPRGKRZSA-N 1 0 331.380 1.695 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc([C@]2(c3ccccc3)CC[NH2+]C2)n1 ZINC000823087707 594151069 /nfs/dbraw/zinc/15/10/69/594151069.db2.gz FGIUDOHBUXTTGZ-MRXNPFEDSA-N 1 0 340.343 1.658 20 5 EDBDRO C[C@@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000825368193 594174559 /nfs/dbraw/zinc/17/45/59/594174559.db2.gz PMMORFAVVXKRSE-XJKSGUPXSA-N 1 0 335.404 1.866 20 5 EDBDRO C[C@H]1[NH2+]CC[C@H]1c1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000823259053 594177088 /nfs/dbraw/zinc/17/70/88/594177088.db2.gz JRGWAVNFXTUPTH-MWLCHTKSSA-N 1 0 341.331 1.691 20 5 EDBDRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1ccccc1[N+](=O)[O-] ZINC000829293530 594593608 /nfs/dbraw/zinc/59/36/08/594593608.db2.gz RXOBDRIYNVVVFK-UHFFFAOYSA-N 1 0 333.388 1.779 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000827346327 594663368 /nfs/dbraw/zinc/66/33/68/594663368.db2.gz OFTLCVYTWQYHTF-IINYFYTJSA-N 1 0 329.360 1.637 20 5 EDBDRO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000831683023 594692290 /nfs/dbraw/zinc/69/22/90/594692290.db2.gz LXDPIHHBFIDQRD-LBPRGKRZSA-N 1 0 338.795 1.368 20 5 EDBDRO CCO[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])C[NH+](C)C ZINC000831743232 594698316 /nfs/dbraw/zinc/69/83/16/594698316.db2.gz DEUATIYQBLXZBY-SNVBAGLBSA-N 1 0 329.784 1.945 20 5 EDBDRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841248170 594875495 /nfs/dbraw/zinc/87/54/95/594875495.db2.gz POERTBFVKULOLX-VIFPVBQESA-N 1 0 342.783 1.820 20 5 EDBDRO O=C(CO[C@@H]1CCC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000843360792 595087159 /nfs/dbraw/zinc/08/71/59/595087159.db2.gz OFNRSDQYMVABHP-MRXNPFEDSA-N 1 0 348.403 1.012 20 5 EDBDRO [NH3+]C[C@@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000842478846 595115790 /nfs/dbraw/zinc/11/57/90/595115790.db2.gz MBLUFMINYFOMEE-LLVKDONJSA-N 1 0 342.783 1.236 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC2CC[NH2+]CC2)cc([N+](=O)[O-])c1F ZINC000842687636 595170794 /nfs/dbraw/zinc/17/07/94/595170794.db2.gz TXXXMFIOCDOFAF-UHFFFAOYSA-N 1 0 331.369 1.320 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC(C[NH3+])CC2)cc([N+](=O)[O-])c1F ZINC000842686432 595170868 /nfs/dbraw/zinc/17/08/68/595170868.db2.gz MRUHZHNZMSSVGO-UHFFFAOYSA-N 1 0 331.369 1.402 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc([N+](=O)[O-])c1F ZINC000842720243 595180149 /nfs/dbraw/zinc/18/01/49/595180149.db2.gz TZQKSMDHUNDQRC-ONGXEEELSA-N 1 0 331.369 1.400 20 5 EDBDRO CN(C1CCC([NH3+])CC1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000842736461 595184850 /nfs/dbraw/zinc/18/48/50/595184850.db2.gz ACBHFEJQMONWPX-UHFFFAOYSA-N 1 0 341.433 1.669 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000843796653 595188900 /nfs/dbraw/zinc/18/89/00/595188900.db2.gz UDYUWQXLLZVPGJ-HNNXBMFYSA-N 1 0 348.359 1.978 20 5 EDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000843882508 595208125 /nfs/dbraw/zinc/20/81/25/595208125.db2.gz PHMLHGCVFKERBF-GFCCVEGCSA-N 1 0 339.367 1.619 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000842849224 595215212 /nfs/dbraw/zinc/21/52/12/595215212.db2.gz YJKHLAFKIBIBAR-ZDUSSCGKSA-N 1 0 347.824 1.916 20 5 EDBDRO [NH3+]CC[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C(F)F ZINC000834832799 595225769 /nfs/dbraw/zinc/22/57/69/595225769.db2.gz ZVDNAVPCANROQU-SNVBAGLBSA-N 1 0 327.291 1.043 20 5 EDBDRO C[C@@]1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC(=O)N1 ZINC000834907882 595237869 /nfs/dbraw/zinc/23/78/69/595237869.db2.gz FHPUMFRBWWRNCP-KRWDZBQOSA-N 1 0 332.404 1.822 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000106363975 595254324 /nfs/dbraw/zinc/25/43/24/595254324.db2.gz SRPIIYHVVIVUJX-LLVKDONJSA-N 1 0 325.340 1.665 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](O)c2ccccc2Cl)c1 ZINC000843066272 595279453 /nfs/dbraw/zinc/27/94/53/595279453.db2.gz QFONOSKVCZZLIS-RISCZKNCSA-N 1 0 340.767 1.129 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](CO)Cc2cccnc2)cc1 ZINC000843110496 595288588 /nfs/dbraw/zinc/28/85/88/595288588.db2.gz MXXKKHNZIXTSTH-WMLDXEAASA-N 1 0 331.372 1.464 20 5 EDBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000846910967 595336352 /nfs/dbraw/zinc/33/63/52/595336352.db2.gz FXJQSXAWBIMPTF-KDOFPFPSSA-N 1 0 349.431 1.813 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848480914 595391011 /nfs/dbraw/zinc/39/10/11/595391011.db2.gz URHXCVQKCVOGKA-YOEHRIQHSA-N 1 0 346.431 1.752 20 5 EDBDRO CC[C@H]1C[N@H+](C)CCN1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848490512 595394514 /nfs/dbraw/zinc/39/45/14/595394514.db2.gz OKKBVRMANUTZCM-DOTOQJQBSA-N 1 0 346.431 1.894 20 5 EDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000845344372 595482451 /nfs/dbraw/zinc/48/24/51/595482451.db2.gz VWQIJADOFCMVHZ-UONOGXRCSA-N 1 0 337.351 1.256 20 5 EDBDRO COCC[NH+]1CCC(OC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000847880665 595495195 /nfs/dbraw/zinc/49/51/95/595495195.db2.gz ARRYEBWNBMVWFN-UHFFFAOYSA-N 1 0 338.360 1.628 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108403657 595497571 /nfs/dbraw/zinc/49/75/71/595497571.db2.gz QEPQQHLSPKTSKD-NSHDSACASA-N 1 0 343.380 1.497 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000855166787 595618410 /nfs/dbraw/zinc/61/84/10/595618410.db2.gz QAGYPLGUXCESCG-CQSZACIVSA-N 1 0 345.403 1.934 20 5 EDBDRO [NH3+]C1(CO)CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000853333477 595737570 /nfs/dbraw/zinc/73/75/70/595737570.db2.gz FQLRYHIFPVZMCC-UHFFFAOYSA-N 1 0 330.182 1.647 20 5 EDBDRO CC[C@@H]1C[N@H+](C)CCN1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853515452 595778895 /nfs/dbraw/zinc/77/88/95/595778895.db2.gz VOALKTBHMAUEDT-CYBMUJFWSA-N 1 0 330.392 1.837 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)OCC1CCN(c2ccccn2)CC1 ZINC000851397052 595791610 /nfs/dbraw/zinc/79/16/10/595791610.db2.gz BOZGNJCHOLBPMT-UHFFFAOYSA-N 1 0 345.359 1.646 20 5 EDBDRO O=C1CC[C@@H]2C[N@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@@H]2N1 ZINC000853554851 595799666 /nfs/dbraw/zinc/79/96/66/595799666.db2.gz DQVDIKRHHOFOGP-RISCZKNCSA-N 1 0 329.360 1.503 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000858632641 595851182 /nfs/dbraw/zinc/85/11/82/595851182.db2.gz PMONBSUXFMEPJU-NXEZZACHSA-N 1 0 347.824 1.975 20 5 EDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856254706 595936579 /nfs/dbraw/zinc/93/65/79/595936579.db2.gz YIUAPDOCSGQCHZ-ZDUSSCGKSA-N 1 0 337.351 1.405 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)OC[C@]1(C)C[C@@H](OC)C[N@@H+]1C ZINC000861350576 595957288 /nfs/dbraw/zinc/95/72/88/595957288.db2.gz DRIHIJGYDRZSPB-WBMJQRKESA-N 1 0 338.360 1.869 20 5 EDBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000861355524 595960467 /nfs/dbraw/zinc/96/04/67/595960467.db2.gz QSHVSSCUAAEWQM-OAHLLOKOSA-N 1 0 341.795 1.777 20 5 EDBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000856476067 596001016 /nfs/dbraw/zinc/00/10/16/596001016.db2.gz LVZBUYMDQXDGNV-PBHICJAKSA-N 1 0 347.415 1.866 20 5 EDBDRO CC(C)[C@@H]1CN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[NH2+]1 ZINC000856490166 596004950 /nfs/dbraw/zinc/00/49/50/596004950.db2.gz XETASBOHXUWSBB-HOCLYGCPSA-N 1 0 346.387 1.544 20 5 EDBDRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cccc([N+](=O)[O-])c1Cl ZINC000861863240 596128733 /nfs/dbraw/zinc/12/87/33/596128733.db2.gz NBYHUVPBQSCQIL-NSHDSACASA-N 1 0 341.795 1.825 20 5 EDBDRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000854643835 596146967 /nfs/dbraw/zinc/14/69/67/596146967.db2.gz YPIZXOGTWWYNLN-LSDHHAIUSA-N 1 0 337.351 1.669 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c(Cl)c1 ZINC000866827430 596368464 /nfs/dbraw/zinc/36/84/64/596368464.db2.gz MPRVZVCIUGFNQW-RYUDHWBXSA-N 1 0 345.808 1.763 20 5 EDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000862792266 596413813 /nfs/dbraw/zinc/41/38/13/596413813.db2.gz RFROFKSWEWRGNN-CYBMUJFWSA-N 1 0 345.403 1.793 20 5 EDBDRO C[C@@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)N1CC[NH+](C)CC1 ZINC000865502910 596592872 /nfs/dbraw/zinc/59/28/72/596592872.db2.gz NCNSHQWUKUNPLN-NSHDSACASA-N 1 0 326.372 1.274 20 5 EDBDRO COC(=O)C1=CC[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000863572282 596623028 /nfs/dbraw/zinc/62/30/28/596623028.db2.gz MUHSWIXVIIKJQO-OLZOCXBDSA-N 1 0 336.344 1.186 20 5 EDBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000869770158 596624741 /nfs/dbraw/zinc/62/47/41/596624741.db2.gz KLGLZMGBBXMQRD-UHFFFAOYSA-N 1 0 325.365 1.618 20 5 EDBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000863832810 596700824 /nfs/dbraw/zinc/70/08/24/596700824.db2.gz FOLQQUBCWWHNCG-VIFPVBQESA-N 1 0 348.186 1.698 20 5 EDBDRO COc1cc(N[C@H]2CC[N@H+](CC(C)(C)O)C2)c([N+](=O)[O-])cc1F ZINC000865998620 596753182 /nfs/dbraw/zinc/75/31/82/596753182.db2.gz OZEZSHVMXHMEBE-JTQLQIEISA-N 1 0 327.356 2.000 20 5 EDBDRO CN1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)c2c[nH+]ccc21 ZINC000119950006 596797557 /nfs/dbraw/zinc/79/75/57/596797557.db2.gz UPDHIWARFWKFKY-UHFFFAOYSA-N 1 0 340.386 1.696 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]21 ZINC000872726584 597048249 /nfs/dbraw/zinc/04/82/49/597048249.db2.gz SEAVJTDHNRTYJQ-GDBMZVCRSA-N 1 0 342.403 1.837 20 5 EDBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c2ccncc21 ZINC000872758147 597060180 /nfs/dbraw/zinc/06/01/80/597060180.db2.gz PTLYPHBOANOPNS-QWHCGFSZSA-N 1 0 328.372 1.788 20 5 EDBDRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000876732017 597311526 /nfs/dbraw/zinc/31/15/26/597311526.db2.gz WSBRYBJAJVSVNE-LFAOLKIESA-N 1 0 344.415 1.799 20 5 EDBDRO C[NH2+]CCOCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000877024456 597414803 /nfs/dbraw/zinc/41/48/03/597414803.db2.gz FAMNIJMMYGHJRX-UHFFFAOYSA-N 1 0 336.392 1.161 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000873987288 597479723 /nfs/dbraw/zinc/47/97/23/597479723.db2.gz AMAKWCZADQEOKA-UHFFFAOYSA-N 1 0 348.403 1.058 20 5 EDBDRO C[NH2+]C[C@H]1CCCCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000883449686 597751730 /nfs/dbraw/zinc/75/17/30/597751730.db2.gz FJRZBCAOUPICDW-CQSZACIVSA-N 1 0 348.403 1.967 20 5 EDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000880137847 597853154 /nfs/dbraw/zinc/85/31/54/597853154.db2.gz LNPRTRQDYWRDGR-CVEARBPZSA-N 1 0 344.415 1.652 20 5 EDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000882482065 597971936 /nfs/dbraw/zinc/97/19/36/597971936.db2.gz NIMXQVSEJUKHFB-AWEZNQCLSA-N 1 0 348.403 1.255 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000738358923 599519458 /nfs/dbraw/zinc/51/94/58/599519458.db2.gz FDSWFVZUEMSTSM-HNNXBMFYSA-N 1 0 340.343 1.598 20 5 EDBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000916054717 696617212 /nfs/dbraw/zinc/61/72/12/696617212.db2.gz WFFOBNXGNNXKCC-CYBMUJFWSA-N 1 0 345.403 1.935 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000917292374 696994655 /nfs/dbraw/zinc/99/46/55/696994655.db2.gz KJVFOPOEBWTSJY-ZIAGYGMSSA-N 1 0 343.387 1.688 20 5 EDBDRO O=C(NCCNc1cc[nH+]cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000918356105 697157147 /nfs/dbraw/zinc/15/71/47/697157147.db2.gz YBEVWPYOGJVWMC-UHFFFAOYSA-N 1 0 331.288 1.162 20 5 EDBDRO CCOc1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000996428384 702782563 /nfs/dbraw/zinc/78/25/63/702782563.db2.gz AGCAPIDHSMPHID-HUUCEWRRSA-N 1 0 348.403 1.226 20 5 EDBDRO CCc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC000996428816 702783128 /nfs/dbraw/zinc/78/31/28/702783128.db2.gz IEWDFXXNJPFXLJ-CHWSQXEVSA-N 1 0 336.392 1.291 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)c2cc[nH]c2)CC1 ZINC000996633298 702934926 /nfs/dbraw/zinc/93/49/26/702934926.db2.gz LOOHFAGZQUJNLN-UHFFFAOYSA-N 1 0 332.364 1.051 20 5 EDBDRO Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)n1 ZINC001002782124 709387827 /nfs/dbraw/zinc/38/78/27/709387827.db2.gz IEPBFSBWRWMEFB-HZPDHXFCSA-N 1 0 332.404 1.444 20 5 EDBDRO COc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)ccn1 ZINC001034643576 710319636 /nfs/dbraw/zinc/31/96/36/710319636.db2.gz PJUHTAZMBANWEY-KBUPBQIOSA-N 1 0 348.403 1.272 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000175085443 231381586 /nfs/dbraw/zinc/38/15/86/231381586.db2.gz XNTASPMVGRKONK-QWRGUYRKSA-N 1 0 345.396 1.885 20 5 EDBDRO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000170873744 282264288 /nfs/dbraw/zinc/26/42/88/282264288.db2.gz JOEQZMYPEZAVQD-JTQLQIEISA-N 1 0 333.797 1.573 20 5 EDBDRO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000131310537 530034137 /nfs/dbraw/zinc/03/41/37/530034137.db2.gz BPPYPYRRDQRXLI-ZDUSSCGKSA-N 1 0 327.406 1.451 20 5 EDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000178467538 232177530 /nfs/dbraw/zinc/17/75/30/232177530.db2.gz MQMYOENHWJYZEH-CHWSQXEVSA-N 1 0 329.360 1.780 20 5 EDBDRO Cc1nn(CCC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000102487524 219207461 /nfs/dbraw/zinc/20/74/61/219207461.db2.gz WCZXMNUEZOPTHQ-CYBMUJFWSA-N 1 0 335.408 1.399 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000563161358 306321078 /nfs/dbraw/zinc/32/10/78/306321078.db2.gz UTRCUXRVGBFSKA-CQSZACIVSA-N 1 0 333.388 1.351 20 5 EDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563443098 306333442 /nfs/dbraw/zinc/33/34/42/306333442.db2.gz VZKHSQRQOXYCET-GJZGRUSLSA-N 1 0 348.403 1.126 20 5 EDBDRO NC(=O)c1cccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118866791 138313174 /nfs/dbraw/zinc/31/31/74/138313174.db2.gz LBAWCOWDBXKNCA-AWEZNQCLSA-N 1 0 341.371 1.775 20 5 EDBDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000125381321 138333450 /nfs/dbraw/zinc/33/34/50/138333450.db2.gz AQZQRDWDRSVFCI-ZDUSSCGKSA-N 1 0 335.408 1.657 20 5 EDBDRO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[N@H+](C)C1 ZINC000413491672 304062792 /nfs/dbraw/zinc/06/27/92/304062792.db2.gz BHPNGHLTPSKCSA-GFCCVEGCSA-N 1 0 344.371 1.684 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000186967129 236081824 /nfs/dbraw/zinc/08/18/24/236081824.db2.gz NISLSWUKKGQKNM-ZDUSSCGKSA-N 1 0 335.404 1.820 20 5 EDBDRO Cc1nn(C)c(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000128477565 138621106 /nfs/dbraw/zinc/62/11/06/138621106.db2.gz NOHGABYXBLGLHY-BZNIZROVSA-N 1 0 337.424 1.877 20 5 EDBDRO [NH3+][C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000129187400 223031131 /nfs/dbraw/zinc/03/11/31/223031131.db2.gz CUCBEMDHDIRGKB-LLVKDONJSA-N 1 0 328.166 1.824 20 5 EDBDRO Nc1nc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)ncc1[N+](=O)[O-] ZINC000132836167 223366426 /nfs/dbraw/zinc/36/64/26/223366426.db2.gz CRCXZTWNGVPBRB-YPMHNXCESA-N 1 0 336.396 1.147 20 5 EDBDRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418384929 284027090 /nfs/dbraw/zinc/02/70/90/284027090.db2.gz PMORLTLOMKCIPJ-CYBMUJFWSA-N 1 0 333.392 1.178 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)s1 ZINC000194933808 139002922 /nfs/dbraw/zinc/00/29/22/139002922.db2.gz LUSJYUXULFDXFQ-NSHDSACASA-N 1 0 345.446 1.905 20 5 EDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000215993792 139020496 /nfs/dbraw/zinc/02/04/96/139020496.db2.gz DRNYGMHINZYBCW-BDAKNGLRSA-N 1 0 333.797 1.606 20 5 EDBDRO COC(=O)c1cc(C(=O)NCC[N@H+](C)C2CCCC2)cc([N+](=O)[O-])c1 ZINC000078510219 217066260 /nfs/dbraw/zinc/06/62/60/217066260.db2.gz HLYNCANFZMGOQA-UHFFFAOYSA-N 1 0 349.387 1.986 20 5 EDBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000235430670 139026202 /nfs/dbraw/zinc/02/62/02/139026202.db2.gz HWZPIAUOPBLTBY-BDAKNGLRSA-N 1 0 333.797 1.667 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[NH2+]CC1 ZINC000236567648 139026385 /nfs/dbraw/zinc/02/63/85/139026385.db2.gz UZCHSZTWANVQDH-UHFFFAOYSA-N 1 0 328.166 1.332 20 5 EDBDRO C[C@H](Nc1ccc(C(=O)NCC[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000262523963 299430602 /nfs/dbraw/zinc/43/06/02/299430602.db2.gz ZCMXUXRJDMIPGP-NSHDSACASA-N 1 0 329.360 1.851 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000237210751 139044364 /nfs/dbraw/zinc/04/43/64/139044364.db2.gz LTWUTSYRMGQTMR-NSHDSACASA-N 1 0 343.405 1.224 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000237298160 139046830 /nfs/dbraw/zinc/04/68/30/139046830.db2.gz WCHNRLXLGHRDRN-CHWSQXEVSA-N 1 0 348.403 1.171 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000110865799 220071764 /nfs/dbraw/zinc/07/17/64/220071764.db2.gz LDMGOFURBIJODB-UHFFFAOYSA-N 1 0 334.420 1.613 20 5 EDBDRO [NH3+][C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000238007128 139066303 /nfs/dbraw/zinc/06/63/03/139066303.db2.gz MLSXBUVJAWQERL-BBRMVZONSA-N 1 0 341.371 1.703 20 5 EDBDRO O=C1CC[C@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@H]2N1C1CC1 ZINC000245637355 139081842 /nfs/dbraw/zinc/08/18/42/139081842.db2.gz RPYWYXMUXWIIEY-GXTWGEPZSA-N 1 0 333.392 1.267 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000415365558 304205164 /nfs/dbraw/zinc/20/51/64/304205164.db2.gz UPARGDHABBZLAZ-LBPRGKRZSA-N 1 0 334.376 1.306 20 5 EDBDRO C[C@@H](C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)S(C)(=O)=O ZINC000568752765 306488297 /nfs/dbraw/zinc/48/82/97/306488297.db2.gz PRPQDCANBHHZBQ-JTQLQIEISA-N 1 0 325.390 1.641 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C[C@@H]12 ZINC000248633885 139169305 /nfs/dbraw/zinc/16/93/05/139169305.db2.gz PVHUSQHOTYPULJ-IQJOONFLSA-N 1 0 329.353 1.092 20 5 EDBDRO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415448444 304221370 /nfs/dbraw/zinc/22/13/70/304221370.db2.gz UYGINYACABUQNX-CPCISQLKSA-N 1 0 348.281 1.315 20 5 EDBDRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000261649727 139214357 /nfs/dbraw/zinc/21/43/57/139214357.db2.gz HFZWHAGZHQDXJQ-JKSUJKDBSA-N 1 0 347.396 1.710 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000261706385 139219269 /nfs/dbraw/zinc/21/92/69/139219269.db2.gz KPQLLPQBMUNWTH-HNNXBMFYSA-N 1 0 339.417 1.748 20 5 EDBDRO O=C(CC[C@H]1CCC[NH2+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000261760594 139223875 /nfs/dbraw/zinc/22/38/75/139223875.db2.gz VUDGBHVZQHJKEC-CQSZACIVSA-N 1 0 332.404 1.776 20 5 EDBDRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000261808148 139227736 /nfs/dbraw/zinc/22/77/36/139227736.db2.gz VKIJCRFPKPZNSD-UHFFFAOYSA-N 1 0 341.433 1.913 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000261811155 139228114 /nfs/dbraw/zinc/22/81/14/139228114.db2.gz ZSHXIMOQRAIFHL-GZMMTYOYSA-N 1 0 333.797 1.667 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000261899982 139235287 /nfs/dbraw/zinc/23/52/87/139235287.db2.gz OSSVGFJRNWLSLM-CMPLNLGQSA-N 1 0 342.421 1.398 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262002327 139243069 /nfs/dbraw/zinc/24/30/69/139243069.db2.gz GHZQWMDNVHSWTD-LBPRGKRZSA-N 1 0 338.795 1.368 20 5 EDBDRO C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262068147 139248236 /nfs/dbraw/zinc/24/82/36/139248236.db2.gz FSZICCUEKHWLPX-RISCZKNCSA-N 1 0 327.406 1.781 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000415394248 250916513 /nfs/dbraw/zinc/91/65/13/250916513.db2.gz LZIQDNLMYFYDPY-LLVKDONJSA-N 1 0 334.376 1.212 20 5 EDBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262179633 139257800 /nfs/dbraw/zinc/25/78/00/139257800.db2.gz KVTYRPFYEVPFHI-FUNVUKJBSA-N 1 0 341.371 1.793 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000262301087 139267900 /nfs/dbraw/zinc/26/79/00/139267900.db2.gz XMPMBGQRGKFPMZ-UHFFFAOYSA-N 1 0 341.371 1.960 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C)N(CCO)C[C@H]1C ZINC000416996053 251122518 /nfs/dbraw/zinc/12/25/18/251122518.db2.gz MGAMLLDTAHPNPL-CHWSQXEVSA-N 1 0 336.392 1.822 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000262443428 139279351 /nfs/dbraw/zinc/27/93/51/139279351.db2.gz HADXCDIALUHJLB-ZJUUUORDSA-N 1 0 329.378 1.022 20 5 EDBDRO Cc1ccc(NCCCNC(=O)N2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000417716743 251238875 /nfs/dbraw/zinc/23/88/75/251238875.db2.gz MAVSVKNPBJIZTB-ZDUSSCGKSA-N 1 0 335.408 1.709 20 5 EDBDRO Cc1ccc(NCCCNC(=O)N2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000417713823 251239506 /nfs/dbraw/zinc/23/95/06/251239506.db2.gz HRJOSPQOJWGTBH-UHFFFAOYSA-N 1 0 335.408 1.710 20 5 EDBDRO C[C@H](Cc1cnn(C)c1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569450156 306508026 /nfs/dbraw/zinc/50/80/26/306508026.db2.gz VVYKFOGKNXZYCY-OCCSQVGLSA-N 1 0 334.376 1.289 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000415584046 304232826 /nfs/dbraw/zinc/23/28/26/304232826.db2.gz RYNPMWZAWKOXRO-UHFFFAOYSA-N 1 0 335.408 1.628 20 5 EDBDRO C[C@@H]([NH3+])[C@@H](C)Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000420258206 251661663 /nfs/dbraw/zinc/66/16/63/251661663.db2.gz FUDRJLQHSCOTKP-GHMZBOCLSA-N 1 0 342.421 1.527 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262740816 139300410 /nfs/dbraw/zinc/30/04/10/139300410.db2.gz CBYPZTMCHNBSPY-BDAKNGLRSA-N 1 0 347.368 1.113 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000415601836 304236772 /nfs/dbraw/zinc/23/67/72/304236772.db2.gz LNWBJCLCJWEHAY-FPMFFAJLSA-N 1 0 346.387 1.291 20 5 EDBDRO COc1ccnc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000424310527 252194604 /nfs/dbraw/zinc/19/46/04/252194604.db2.gz SHFZNIGVSLYGRR-NWDGAFQWSA-N 1 0 332.364 1.863 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424317685 252196252 /nfs/dbraw/zinc/19/62/52/252196252.db2.gz FIVQRMODYIKLHY-OLZOCXBDSA-N 1 0 348.403 1.770 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415632579 304243295 /nfs/dbraw/zinc/24/32/95/304243295.db2.gz OVFTYONXVGBIMJ-BETUJISGSA-N 1 0 346.387 1.449 20 5 EDBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C1(CO)CCOCC1 ZINC000230729444 285082641 /nfs/dbraw/zinc/08/26/41/285082641.db2.gz GHWRGTDQKIRXNA-UHFFFAOYSA-N 1 0 345.193 1.988 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000415664900 304251789 /nfs/dbraw/zinc/25/17/89/304251789.db2.gz UQNIATRMAMOBBE-ZWNOBZJWSA-N 1 0 334.376 1.210 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000569971918 306527377 /nfs/dbraw/zinc/52/73/77/306527377.db2.gz PGLBQNUCGNTETN-GHMZBOCLSA-N 1 0 327.406 1.528 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000375774591 285125661 /nfs/dbraw/zinc/12/56/61/285125661.db2.gz MPIKYBNJIVKMQF-DZGCQCFKSA-N 1 0 336.348 1.538 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459648010 285164677 /nfs/dbraw/zinc/16/46/77/285164677.db2.gz BPDTXTPUVWMFOU-FMKPAKJESA-N 1 0 348.399 1.835 20 5 EDBDRO C[C@@H](NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000449208528 254641310 /nfs/dbraw/zinc/64/13/10/254641310.db2.gz POGCMHNHTDTVMQ-YPMHNXCESA-N 1 0 344.375 1.429 20 5 EDBDRO COc1cc(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000449638490 254643224 /nfs/dbraw/zinc/64/32/24/254643224.db2.gz KWBXIMAFUICZSN-QWRGUYRKSA-N 1 0 337.376 1.859 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415779347 304268659 /nfs/dbraw/zinc/26/86/59/304268659.db2.gz KVXNQHDOLBLFPO-GXTWGEPZSA-N 1 0 346.387 1.306 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000175390332 285241166 /nfs/dbraw/zinc/24/11/66/285241166.db2.gz JXZKNVMXJAHSEG-GFCCVEGCSA-N 1 0 327.406 1.700 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000459801661 255003026 /nfs/dbraw/zinc/00/30/26/255003026.db2.gz LHLXTLOVEOWTJU-OWCLPIDISA-N 1 0 338.408 1.025 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000154346414 224241122 /nfs/dbraw/zinc/24/11/22/224241122.db2.gz UASFTLIUQAQTBX-OAHLLOKOSA-N 1 0 339.417 1.586 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493550471 255215339 /nfs/dbraw/zinc/21/53/39/255215339.db2.gz IECLKHBIOCTHJO-BMWLXYDHSA-N 1 0 332.404 1.360 20 5 EDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1CCO ZINC000493639738 255217875 /nfs/dbraw/zinc/21/78/75/255217875.db2.gz FKFZTLSNGOHHDM-SJOWAIJRSA-N 1 0 333.388 1.522 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[NH+](C2CC2)CC1 ZINC000117336806 221054796 /nfs/dbraw/zinc/05/47/96/221054796.db2.gz NMQQDQIZIOZTBL-UHFFFAOYSA-N 1 0 346.387 1.673 20 5 EDBDRO CC[N@H+](CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000118121688 221123631 /nfs/dbraw/zinc/12/36/31/221123631.db2.gz BKYPYSUZPOBJQI-UHFFFAOYSA-N 1 0 334.376 1.442 20 5 EDBDRO Cc1sc(C(=O)NCCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000118722568 221173051 /nfs/dbraw/zinc/17/30/51/221173051.db2.gz QZXJXVPLQRQQAX-UHFFFAOYSA-N 1 0 327.406 1.541 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000119637263 221364985 /nfs/dbraw/zinc/36/49/85/221364985.db2.gz WICXLMNIWPCCDY-HIFRSBDPSA-N 1 0 343.387 1.428 20 5 EDBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000420254346 296503816 /nfs/dbraw/zinc/50/38/16/296503816.db2.gz CZWYRMVSRKQWJF-HZPDHXFCSA-N 1 0 346.431 1.615 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000271340564 140281377 /nfs/dbraw/zinc/28/13/77/140281377.db2.gz UAKYULFAHWRVFB-PSASIEDQSA-N 1 0 347.400 1.955 20 5 EDBDRO C[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000271896173 140368829 /nfs/dbraw/zinc/36/88/29/140368829.db2.gz XCBRGKTVZLTHIO-RYUDHWBXSA-N 1 0 343.405 1.030 20 5 EDBDRO CS[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1[NH+]1CCCC1 ZINC000331387441 141015332 /nfs/dbraw/zinc/01/53/32/141015332.db2.gz ITIPJFSHTBSVPS-KGLIPLIRSA-N 1 0 325.438 1.303 20 5 EDBDRO C[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C(N)=O ZINC000331727722 141074260 /nfs/dbraw/zinc/07/42/60/141074260.db2.gz OFNUCUUFBLFNPG-ZWNOBZJWSA-N 1 0 332.360 1.587 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000331999757 141108800 /nfs/dbraw/zinc/10/88/00/141108800.db2.gz VJNUOTFZSBBGKJ-LZWOXQAQSA-N 1 0 349.387 1.840 20 5 EDBDRO C[C@]1(CO)CCC[C@@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000332184594 141136729 /nfs/dbraw/zinc/13/67/29/141136729.db2.gz WKUGSEDWQJYWTR-YQQAZPJKSA-N 1 0 333.388 1.841 20 5 EDBDRO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000332218477 141142061 /nfs/dbraw/zinc/14/20/61/141142061.db2.gz IKSAEJAXFRLFBB-LBPRGKRZSA-N 1 0 347.419 1.748 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000332340272 141165440 /nfs/dbraw/zinc/16/54/40/141165440.db2.gz WXTAJSZOFSJUQL-WBVHZDCISA-N 1 0 335.404 1.898 20 5 EDBDRO O=C(C[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000339762132 142148212 /nfs/dbraw/zinc/14/82/12/142148212.db2.gz JGKJWOQLTBBVAG-DLBZAZTESA-N 1 0 349.387 1.443 20 5 EDBDRO CO[C@H]1C[C@@H](CO)[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000344704536 143000928 /nfs/dbraw/zinc/00/09/28/143000928.db2.gz HOCKYWXICYTYNR-KBPBESRZSA-N 1 0 337.376 1.313 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000344738719 143005513 /nfs/dbraw/zinc/00/55/13/143005513.db2.gz ZZQDGYXLAGPRQQ-CYBMUJFWSA-N 1 0 337.424 1.726 20 5 EDBDRO C[C@H]1[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCC[N@@H+]1C ZINC000344989093 143035875 /nfs/dbraw/zinc/03/58/75/143035875.db2.gz VULPHMQLJRGZNF-BLLLJJGKSA-N 1 0 348.403 1.850 20 5 EDBDRO CCCc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)c1[N+](=O)[O-] ZINC000345636946 143115069 /nfs/dbraw/zinc/11/50/69/143115069.db2.gz DCIAXGUWOUYIPK-LLVKDONJSA-N 1 0 339.396 1.111 20 5 EDBDRO CC[N@@H+]1C[C@H](C)N(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000346188353 143176993 /nfs/dbraw/zinc/17/69/93/143176993.db2.gz JDCKQSLOKICLLK-OFQRWUPVSA-N 1 0 337.420 1.749 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346444100 143205400 /nfs/dbraw/zinc/20/54/00/143205400.db2.gz BGFMKHNSLKEQQF-CQSZACIVSA-N 1 0 346.387 1.538 20 5 EDBDRO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000346648704 143226327 /nfs/dbraw/zinc/22/63/27/143226327.db2.gz PMMABSCEJQEWQF-YNEHKIRRSA-N 1 0 338.360 1.218 20 5 EDBDRO COc1c(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000347780718 143362216 /nfs/dbraw/zinc/36/22/16/143362216.db2.gz WNBWZYJCPUHMLY-UONOGXRCSA-N 1 0 335.360 1.149 20 5 EDBDRO Nc1c(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc(F)cc1[N+](=O)[O-] ZINC000349006955 143473249 /nfs/dbraw/zinc/47/32/49/143473249.db2.gz UPKBNPGFWLZRTD-SNVBAGLBSA-N 1 0 345.334 1.779 20 5 EDBDRO C[C@@H](COc1cccc(F)c1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000572632103 306596084 /nfs/dbraw/zinc/59/60/84/306596084.db2.gz SVSLSVAOQOGAQP-FZMZJTMJSA-N 1 0 338.339 1.348 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352692805 149118022 /nfs/dbraw/zinc/11/80/22/149118022.db2.gz GWFZVYSLTXKNCS-UONOGXRCSA-N 1 0 337.376 1.777 20 5 EDBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)[C@H]1COC[C@@H]1O ZINC000352817034 149178498 /nfs/dbraw/zinc/17/84/98/149178498.db2.gz QGGXCGPFELMCEZ-ICCXJUOJSA-N 1 0 334.332 1.397 20 5 EDBDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000353389803 149388925 /nfs/dbraw/zinc/38/89/25/149388925.db2.gz XAYWRAJRSYZIAQ-GJZGRUSLSA-N 1 0 341.433 1.897 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC1(O)CCC1 ZINC000353500177 149428985 /nfs/dbraw/zinc/42/89/85/149428985.db2.gz XHHLVYNLQYDCGA-UHFFFAOYSA-N 1 0 337.376 1.779 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000357415651 151024869 /nfs/dbraw/zinc/02/48/69/151024869.db2.gz NPYPSTMFBJIKJV-ZYHUDNBSSA-N 1 0 337.376 1.825 20 5 EDBDRO COc1cc2c(cc1OC)CC[NH+](Cc1c([N+](=O)[O-])ncn1C)CC2 ZINC000370046836 155299948 /nfs/dbraw/zinc/29/99/48/155299948.db2.gz UFRUAWOTQRUETG-UHFFFAOYSA-N 1 0 346.387 1.946 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H]1CCCOCC1 ZINC000358060645 151252463 /nfs/dbraw/zinc/25/24/63/151252463.db2.gz KPNGHRWYVCLHGX-LBPRGKRZSA-N 1 0 343.405 1.032 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC(C(N)=O)CC1 ZINC000358170717 151294165 /nfs/dbraw/zinc/29/41/65/151294165.db2.gz FIXHGUWXKRWUMJ-PNESKVBLSA-N 1 0 348.403 1.946 20 5 EDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000156259751 297113901 /nfs/dbraw/zinc/11/39/01/297113901.db2.gz DMXLMNLLLCIVBS-DTWKUNHWSA-N 1 0 333.797 1.619 20 5 EDBDRO CCc1ccc([C@@H](CO)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000359538356 151746707 /nfs/dbraw/zinc/74/67/07/151746707.db2.gz MTNGNXQPYYYHIN-HZPDHXFCSA-N 1 0 334.376 1.038 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000360548694 152090248 /nfs/dbraw/zinc/09/02/48/152090248.db2.gz VPCDMZRNZAONRT-PXAZEXFGSA-N 1 0 348.403 1.616 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000360664794 152144999 /nfs/dbraw/zinc/14/49/99/152144999.db2.gz IHCDXGROVGIOKR-NEPJUHHUSA-N 1 0 327.406 1.664 20 5 EDBDRO CCn1ccnc1CN(C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])[C@@H]1CC12CC[NH2+]CC2 ZINC000370165274 155358870 /nfs/dbraw/zinc/35/88/70/155358870.db2.gz UYPFNTQGXJEIFC-HZSPNIEDSA-N 1 0 347.419 1.039 20 5 EDBDRO C[C@@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1[NH+](C)C ZINC000362627046 152763759 /nfs/dbraw/zinc/76/37/59/152763759.db2.gz IUXMYEVCJZCSJD-BXUZGUMPSA-N 1 0 349.387 1.317 20 5 EDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363690478 153030286 /nfs/dbraw/zinc/03/02/86/153030286.db2.gz IGWLPHKELCVELK-RTWZZBQXSA-N 1 0 331.372 1.587 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364316062 153203911 /nfs/dbraw/zinc/20/39/11/153203911.db2.gz LAUBYGNNCOUMDW-CQSZACIVSA-N 1 0 335.360 1.389 20 5 EDBDRO O=C(NCCC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000364336231 153208782 /nfs/dbraw/zinc/20/87/82/153208782.db2.gz KFCXZNDNJSAZJH-JTQLQIEISA-N 1 0 349.313 1.497 20 5 EDBDRO O=C(CC[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000367460069 154131962 /nfs/dbraw/zinc/13/19/62/154131962.db2.gz YCJSRQVBJJUBAI-RHSMWYFYSA-N 1 0 346.387 1.570 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000367831325 154289679 /nfs/dbraw/zinc/28/96/79/154289679.db2.gz HMXDQOXPOPSZEU-NSHDSACASA-N 1 0 329.353 1.154 20 5 EDBDRO NC(=O)C[C@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000367992773 154360016 /nfs/dbraw/zinc/36/00/16/154360016.db2.gz FMQDVPTUZDEWFB-SECBINFHSA-N 1 0 340.767 1.384 20 5 EDBDRO C[NH+](C)CCn1ccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000574819932 306657801 /nfs/dbraw/zinc/65/78/01/306657801.db2.gz KDKRCRIQWRSKCV-UHFFFAOYSA-N 1 0 347.375 1.162 20 5 EDBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000371825612 156124291 /nfs/dbraw/zinc/12/42/91/156124291.db2.gz WUMBBYPPAPWYEN-IRXDYDNUSA-N 1 0 335.404 1.777 20 5 EDBDRO CN(C(=O)C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000372159123 156248996 /nfs/dbraw/zinc/24/89/96/156248996.db2.gz XRFGZJKNLXMKHX-ZIAGYGMSSA-N 1 0 333.388 1.916 20 5 EDBDRO Cc1cc(N2CC[N@@H+](C[C@H]3CN(C)CCO3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000374153083 157167503 /nfs/dbraw/zinc/16/75/03/157167503.db2.gz FBNUACZZZQVPKS-DOTOQJQBSA-N 1 0 348.447 1.744 20 5 EDBDRO [NH2+]=C(NO)[C@@H]1CCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000374172295 157177115 /nfs/dbraw/zinc/17/71/15/157177115.db2.gz HRGUTSSUGJOCOG-JSGCOSHPSA-N 1 0 338.364 1.145 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000374567699 157329981 /nfs/dbraw/zinc/32/99/81/157329981.db2.gz YVFNNGKSVSNORL-GFCCVEGCSA-N 1 0 347.375 1.563 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000378254225 158121900 /nfs/dbraw/zinc/12/19/00/158121900.db2.gz SPTQYNSGOYBPER-UHFFFAOYSA-N 1 0 343.380 1.639 20 5 EDBDRO CC1(C)NC(=O)CC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000338600871 161700263 /nfs/dbraw/zinc/70/02/63/161700263.db2.gz YXPXRPRMLMKVOO-CYBMUJFWSA-N 1 0 334.376 1.570 20 5 EDBDRO CC[NH+](CC)CCS(=O)(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000352322958 162117465 /nfs/dbraw/zinc/11/74/65/162117465.db2.gz WGLRZRSTTWPNIS-GFCCVEGCSA-N 1 0 329.422 1.917 20 5 EDBDRO Cn1ccnc1[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000356786839 162279502 /nfs/dbraw/zinc/27/95/02/162279502.db2.gz VDBFYIOOVROBTQ-ZDUSSCGKSA-N 1 0 343.343 1.534 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000364636207 162340582 /nfs/dbraw/zinc/34/05/82/162340582.db2.gz VPSCVWBJDJGBRW-IJEWVQPXSA-N 1 0 335.404 1.361 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366482504 162386566 /nfs/dbraw/zinc/38/65/66/162386566.db2.gz NHAWTSKKEWJMPR-QGZVFWFLSA-N 1 0 332.404 1.869 20 5 EDBDRO C[C@H](NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000418228665 304467190 /nfs/dbraw/zinc/46/71/90/304467190.db2.gz FHRNSDZHTUIZIB-XJKSGUPXSA-N 1 0 347.419 1.345 20 5 EDBDRO CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CCCCO1 ZINC000072610715 287254772 /nfs/dbraw/zinc/25/47/72/287254772.db2.gz UTSVMMLTMLOPCZ-LSDHHAIUSA-N 1 0 326.397 1.433 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000075923082 287279988 /nfs/dbraw/zinc/27/99/88/287279988.db2.gz ICPQWTVKEOOSTN-UHFFFAOYSA-N 1 0 343.405 1.368 20 5 EDBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158388198 225004025 /nfs/dbraw/zinc/00/40/25/225004025.db2.gz OYLXAGNORHVSKS-KRWDZBQOSA-N 1 0 341.371 1.606 20 5 EDBDRO O=C(NCC1CC[NH2+]CC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000120576467 287362014 /nfs/dbraw/zinc/36/20/14/287362014.db2.gz IOFDYTVVFKEXSA-UHFFFAOYSA-N 1 0 329.360 1.510 20 5 EDBDRO Cc1c(CC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000122820160 287383762 /nfs/dbraw/zinc/38/37/62/287383762.db2.gz FEKMQCNPXCRAEC-CQSZACIVSA-N 1 0 348.447 1.445 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CC[NH+](C)C)C(C)C ZINC000123528370 287388549 /nfs/dbraw/zinc/38/85/49/287388549.db2.gz ZXUUYUHZGGHHCI-UHFFFAOYSA-N 1 0 329.422 1.864 20 5 EDBDRO [NH3+]C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000165928215 226142542 /nfs/dbraw/zinc/14/25/42/226142542.db2.gz YAFCSDAFOYBKKE-NSHDSACASA-N 1 0 328.166 1.824 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000122138472 222022806 /nfs/dbraw/zinc/02/28/06/222022806.db2.gz IMSQHZYXTSVWJK-UHFFFAOYSA-N 1 0 336.392 1.546 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000122552063 222111562 /nfs/dbraw/zinc/11/15/62/222111562.db2.gz AMOGAYSHSDMIAL-SNVBAGLBSA-N 1 0 331.369 1.354 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000130939004 287502134 /nfs/dbraw/zinc/50/21/34/287502134.db2.gz FITVJGBBXQGLCX-CYBMUJFWSA-N 1 0 327.406 1.356 20 5 EDBDRO C[NH2+]CC1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000237355295 273009086 /nfs/dbraw/zinc/00/90/86/273009086.db2.gz CXJYDQHBGIRNQS-UHFFFAOYSA-N 1 0 327.406 1.356 20 5 EDBDRO C[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000237555405 273010760 /nfs/dbraw/zinc/01/07/60/273010760.db2.gz NDQFWZHWMDQVEG-BXKDBHETSA-N 1 0 347.824 1.996 20 5 EDBDRO C[C@@H]1[C@H](C)[S@](=O)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273348183 268031952 /nfs/dbraw/zinc/03/19/52/268031952.db2.gz OUBJHXUSAUNTOQ-WHLKRNRTSA-N 1 0 342.417 1.176 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273698521 268072912 /nfs/dbraw/zinc/07/29/12/268072912.db2.gz NHDIQPKPQBGZHK-SMDDNHRTSA-N 1 0 339.417 1.497 20 5 EDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CC[N@@H+]1CC(C)(C)O ZINC000275442840 268343450 /nfs/dbraw/zinc/34/34/50/268343450.db2.gz FXNSOBMDHBAPEF-SNVBAGLBSA-N 1 0 335.364 1.412 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C)c1ncn(C)n1 ZINC000275751526 268371861 /nfs/dbraw/zinc/37/18/61/268371861.db2.gz RUOBHKOEIXWUTN-MNOVXSKESA-N 1 0 332.364 1.791 20 5 EDBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000276046364 268393702 /nfs/dbraw/zinc/39/37/02/268393702.db2.gz HRTYWAKKAZEMIA-UHFFFAOYSA-N 1 0 327.406 1.895 20 5 EDBDRO CCOCCOC1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273752688 273052813 /nfs/dbraw/zinc/05/28/13/273052813.db2.gz XCCJCDPOMRGQOQ-CYBMUJFWSA-N 1 0 340.376 1.072 20 5 EDBDRO CO[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1OC ZINC000276917998 273169076 /nfs/dbraw/zinc/16/90/76/273169076.db2.gz RFAUVOAJUFRCMW-OKILXGFUSA-N 1 0 341.339 1.408 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000277129276 273181949 /nfs/dbraw/zinc/18/19/49/273181949.db2.gz GINQCWRHSPHGLK-CQSZACIVSA-N 1 0 348.403 1.267 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000277552142 273205800 /nfs/dbraw/zinc/20/58/00/273205800.db2.gz IVYKPPXTYWWWNB-OAHLLOKOSA-N 1 0 339.417 1.771 20 5 EDBDRO COCCO[C@H]1C[C@H](CO)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000278016709 273240989 /nfs/dbraw/zinc/24/09/89/273240989.db2.gz ADUCATSZFAOLFW-RDJZCZTQSA-N 1 0 338.404 1.483 20 5 EDBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000280675745 273384371 /nfs/dbraw/zinc/38/43/71/273384371.db2.gz FNLWIYOKNQFQFZ-INIZCTEOSA-N 1 0 345.359 1.603 20 5 EDBDRO COC(=O)c1cn(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)nn1 ZINC000284178547 274106884 /nfs/dbraw/zinc/10/68/84/274106884.db2.gz AIHKUDWHRLJLCS-LLVKDONJSA-N 1 0 333.348 1.632 20 5 EDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000423963268 275530121 /nfs/dbraw/zinc/53/01/21/275530121.db2.gz VSUWTJBJILXJRS-AWEZNQCLSA-N 1 0 331.376 1.884 20 5 EDBDRO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000371088706 277017787 /nfs/dbraw/zinc/01/77/87/277017787.db2.gz OQTZXVFVWIUTIH-BLLLJJGKSA-N 1 0 332.360 1.405 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](SC)[C@@H]([NH+](C)C)C2)n1 ZINC000286501427 288021120 /nfs/dbraw/zinc/02/11/20/288021120.db2.gz MZIVPIQUCZFXNW-RYUDHWBXSA-N 1 0 340.405 1.258 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351826393 288093013 /nfs/dbraw/zinc/09/30/13/288093013.db2.gz GTMGEDBOUGQLMJ-USWWRNFRSA-N 1 0 338.412 1.023 20 5 EDBDRO C[C@H]1[C@H]([NH+]2CCOCC2)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000357605157 280115893 /nfs/dbraw/zinc/11/58/93/280115893.db2.gz VIFVILXBIUIXDC-XHDPSFHLSA-N 1 0 331.376 1.771 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)n1 ZINC000371350672 281013711 /nfs/dbraw/zinc/01/37/11/281013711.db2.gz SFSWCHMEDGCAKD-ZFWWWQNUSA-N 1 0 333.436 1.760 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262266687 281259061 /nfs/dbraw/zinc/25/90/61/281259061.db2.gz RYKCSBJSDKECID-GJZGRUSLSA-N 1 0 346.431 1.988 20 5 EDBDRO C[NH+](C)C1(CNC(=O)CNc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000074162697 282029043 /nfs/dbraw/zinc/02/90/43/282029043.db2.gz KUCOUVNQZZLLLO-UHFFFAOYSA-N 1 0 336.392 1.234 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CC[NH+](C)C ZINC000266203314 288575579 /nfs/dbraw/zinc/57/55/79/288575579.db2.gz OXWUWGFXNMGRPV-NSHDSACASA-N 1 0 329.422 1.776 20 5 EDBDRO COCCN(CC[NH+](C)C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000289183244 288646261 /nfs/dbraw/zinc/64/62/61/288646261.db2.gz ASJVNTYANJRFAL-UHFFFAOYSA-N 1 0 341.408 1.622 20 5 EDBDRO CSC1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000290473719 288904172 /nfs/dbraw/zinc/90/41/72/288904172.db2.gz UVFWBJCANHVQHP-UHFFFAOYSA-N 1 0 330.431 1.854 20 5 EDBDRO COc1cc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc([N+](=O)[O-])c1OC ZINC000292299289 289310056 /nfs/dbraw/zinc/31/00/56/289310056.db2.gz RXJVVOOTHKSPMA-KRWDZBQOSA-N 1 0 349.387 1.780 20 5 EDBDRO CN1CCN(C(=O)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000338272625 290010894 /nfs/dbraw/zinc/01/08/94/290010894.db2.gz COISTKYCWBFZRI-UHFFFAOYSA-N 1 0 346.431 1.723 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418600471 304517062 /nfs/dbraw/zinc/51/70/62/304517062.db2.gz SNSKIOZTEGNCHK-FZMZJTMJSA-N 1 0 334.376 1.497 20 5 EDBDRO Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000349949178 301097778 /nfs/dbraw/zinc/09/77/78/301097778.db2.gz HYORPTWHDZSNTA-WFASDCNBSA-N 1 0 348.403 1.361 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000420294068 304744010 /nfs/dbraw/zinc/74/40/10/304744010.db2.gz SELXYBHWFFGOGV-OLZOCXBDSA-N 1 0 339.417 1.195 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000422556349 301685693 /nfs/dbraw/zinc/68/56/93/301685693.db2.gz SSSWSOYALVEGAC-AVGNSLFASA-N 1 0 341.433 1.897 20 5 EDBDRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000420467966 304762077 /nfs/dbraw/zinc/76/20/77/304762077.db2.gz TZJOVTFONIZXOX-NSHDSACASA-N 1 0 347.824 1.915 20 5 EDBDRO CC1CC[NH+](C[C@@H](O)CNc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420601208 304769971 /nfs/dbraw/zinc/76/99/71/304769971.db2.gz NCCAWKBNWTZBLC-LBPRGKRZSA-N 1 0 336.392 1.198 20 5 EDBDRO Cc1c(C(=O)NC[C@@H](C)C[NH+](C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000293601281 302991003 /nfs/dbraw/zinc/99/10/03/302991003.db2.gz ATOVKCZMSDQSKD-LLVKDONJSA-N 1 0 346.391 1.411 20 5 EDBDRO C[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293675840 303002043 /nfs/dbraw/zinc/00/20/43/303002043.db2.gz KBCQWQKTQYGMEN-JQWIXIFHSA-N 1 0 342.421 1.252 20 5 EDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])C2)C1 ZINC000293924376 303039117 /nfs/dbraw/zinc/03/91/17/303039117.db2.gz PUTOYVOTBTUKNZ-KRWDZBQOSA-N 1 0 347.371 1.340 20 5 EDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000294122278 303066067 /nfs/dbraw/zinc/06/60/67/303066067.db2.gz LVXPNNFOFMPVSX-INIZCTEOSA-N 1 0 335.408 1.999 20 5 EDBDRO C[C@@H]1CN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H](C)[N@H+]1C ZINC000294502605 303116751 /nfs/dbraw/zinc/11/67/51/303116751.db2.gz ZZPBJOMAKXWCOG-ZOWXZIJZSA-N 1 0 346.387 1.251 20 5 EDBDRO COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000294881366 303152513 /nfs/dbraw/zinc/15/25/13/303152513.db2.gz IAYGFLLAUZZVFY-NOZJJQNGSA-N 1 0 325.340 1.765 20 5 EDBDRO C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)O1 ZINC000295218898 303190227 /nfs/dbraw/zinc/19/02/27/303190227.db2.gz QTPFYSBZHCQEHN-WOPDTQHZSA-N 1 0 343.405 1.029 20 5 EDBDRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296670943 303329893 /nfs/dbraw/zinc/32/98/93/303329893.db2.gz GUYVJDKYAGMORK-SWLSCSKDSA-N 1 0 348.403 1.373 20 5 EDBDRO C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000296676810 303330938 /nfs/dbraw/zinc/33/09/38/303330938.db2.gz HPYREJIQTYEREU-ZBFHGGJFSA-N 1 0 349.431 1.751 20 5 EDBDRO COC[C@H](C)NC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296745692 303335607 /nfs/dbraw/zinc/33/56/07/303335607.db2.gz PGLPBOXUSIZDTN-QWRGUYRKSA-N 1 0 338.364 1.106 20 5 EDBDRO C[C@H]1CN2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000297003573 303352815 /nfs/dbraw/zinc/35/28/15/303352815.db2.gz GCLGEDAFOPSDOF-WCQYABFASA-N 1 0 339.417 1.671 20 5 EDBDRO Cn1cc(C2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cn1 ZINC000299596797 303634697 /nfs/dbraw/zinc/63/46/97/303634697.db2.gz LHHVKDUMMHQIHF-UHFFFAOYSA-N 1 0 343.387 1.807 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(N3CC[NH+](Cc4ccccc4)CC3)nn21 ZINC000301850804 303699611 /nfs/dbraw/zinc/69/96/11/303699611.db2.gz WUBYZQPFUAVSNK-UHFFFAOYSA-N 1 0 338.371 1.960 20 5 EDBDRO COCC[NH2+]CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414880297 447340500 /nfs/dbraw/zinc/34/05/00/447340500.db2.gz IUTWEJGDKMNWRM-UHFFFAOYSA-N 1 0 333.392 1.321 20 5 EDBDRO CC1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC[NH2+]1 ZINC000423711076 304905124 /nfs/dbraw/zinc/90/51/24/304905124.db2.gz RAVDQRRODMLLSB-UHFFFAOYSA-N 1 0 348.403 1.255 20 5 EDBDRO Cc1nn(CCC(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000424075417 304927880 /nfs/dbraw/zinc/92/78/80/304927880.db2.gz PDJFUJCJDURMBB-SUNKGSAMSA-N 1 0 337.424 1.630 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000430242129 305048571 /nfs/dbraw/zinc/04/85/71/305048571.db2.gz IDCHHUGVRQJQEP-CYBMUJFWSA-N 1 0 337.420 1.880 20 5 EDBDRO C[NH2+]C[C@H]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430645232 305060992 /nfs/dbraw/zinc/06/09/92/305060992.db2.gz AOWRYNAAPVJPEF-CZUORRHYSA-N 1 0 332.404 1.632 20 5 EDBDRO [NH3+]CC1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000430652447 305061478 /nfs/dbraw/zinc/06/14/78/305061478.db2.gz XLWCNFFZUNYVFK-UHFFFAOYSA-N 1 0 326.784 1.857 20 5 EDBDRO COc1ccc(NC(=O)CCN2C[C@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430944345 305069784 /nfs/dbraw/zinc/06/97/84/305069784.db2.gz STDBSUIOCRBALI-RYUDHWBXSA-N 1 0 336.392 1.614 20 5 EDBDRO Cn1cc(CN2CCO[C@H](C[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435374435 305139377 /nfs/dbraw/zinc/13/93/77/305139377.db2.gz XHPFSBFHJKVUHK-OAHLLOKOSA-N 1 0 331.376 1.155 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000440745004 305212282 /nfs/dbraw/zinc/21/22/82/305212282.db2.gz HBDJKFMJHRULRV-RYUDHWBXSA-N 1 0 327.406 1.583 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000440851855 305213334 /nfs/dbraw/zinc/21/33/34/305213334.db2.gz WLNHTUOCNUDKRJ-IUCAKERBSA-N 1 0 347.368 1.100 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000444348462 305246399 /nfs/dbraw/zinc/24/63/99/305246399.db2.gz BOKRQIOSQUTUBE-ZDUSSCGKSA-N 1 0 335.404 1.820 20 5 EDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446899808 305271753 /nfs/dbraw/zinc/27/17/53/305271753.db2.gz KSNYPXXKRBKHQJ-NSHDSACASA-N 1 0 346.391 1.707 20 5 EDBDRO O=C(C[NH2+][C@@H](CO)[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000447921559 305289107 /nfs/dbraw/zinc/28/91/07/305289107.db2.gz LBKLKZVFTAWGID-STQMWFEESA-N 1 0 343.767 1.316 20 5 EDBDRO [NH3+]CC[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(F)F ZINC000449608862 305315437 /nfs/dbraw/zinc/31/54/37/305315437.db2.gz KTQORKQWAQYCLW-NSHDSACASA-N 1 0 342.346 1.907 20 5 EDBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449730343 305318231 /nfs/dbraw/zinc/31/82/31/305318231.db2.gz DMGQXRCIEVKHGD-BLLLJJGKSA-N 1 0 341.371 1.605 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451427532 305345637 /nfs/dbraw/zinc/34/56/37/305345637.db2.gz JMAYYBDJEZHOSF-HZMBPMFUSA-N 1 0 332.303 1.036 20 5 EDBDRO CC1(C)[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000451484392 305349313 /nfs/dbraw/zinc/34/93/13/305349313.db2.gz ZULLEMNRXZJGHT-YUELXQCFSA-N 1 0 333.388 1.987 20 5 EDBDRO COc1ccc(NC(=O)[C@@H](C)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451631327 305357680 /nfs/dbraw/zinc/35/76/80/305357680.db2.gz NGFPMOOFGXRHKH-BFQNTYOBSA-N 1 0 348.403 1.566 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCc3ccccc3CC2)c1 ZINC000451714171 305364106 /nfs/dbraw/zinc/36/41/06/305364106.db2.gz UIKNHOZZHBJZQT-KRWDZBQOSA-N 1 0 330.388 1.643 20 5 EDBDRO CO[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1O ZINC000451757828 305367384 /nfs/dbraw/zinc/36/73/84/305367384.db2.gz IPFYRXCTVRINFX-UKRRQHHQSA-N 1 0 333.344 1.484 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H]1COCC1(C)C ZINC000451805041 305370144 /nfs/dbraw/zinc/37/01/44/305370144.db2.gz AQAWNQNKEHATLC-QMTHXVAHSA-N 1 0 337.376 1.945 20 5 EDBDRO Cc1sc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc1[N+](=O)[O-] ZINC000452345857 305390609 /nfs/dbraw/zinc/39/06/09/305390609.db2.gz FVLBXYUKPBTOKD-NSHDSACASA-N 1 0 327.406 1.541 20 5 EDBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)Cn3ccc([N+](=O)[O-])n3)ccc21 ZINC000456284287 447354567 /nfs/dbraw/zinc/35/45/67/447354567.db2.gz UBCJDWKEQHAVHI-CQSZACIVSA-N 1 0 329.360 1.979 20 5 EDBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000521559908 305790580 /nfs/dbraw/zinc/79/05/80/305790580.db2.gz QCONNOVFRUUDHG-UHFFFAOYSA-N 1 0 347.375 1.809 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])c1 ZINC000521994190 305796890 /nfs/dbraw/zinc/79/68/90/305796890.db2.gz YFJMDIYQRLHGJD-VXGBXAGGSA-N 1 0 337.376 1.572 20 5 EDBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000547752137 306110586 /nfs/dbraw/zinc/11/05/86/306110586.db2.gz NSCYZUPRASUDKL-UHFFFAOYSA-N 1 0 329.360 1.844 20 5 EDBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])[C@H](C)C1 ZINC000548413862 306127585 /nfs/dbraw/zinc/12/75/85/306127585.db2.gz IQJKUUNTJJNAHY-DGCLKSJQSA-N 1 0 339.396 1.185 20 5 EDBDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000548735888 306136380 /nfs/dbraw/zinc/13/63/80/306136380.db2.gz PRNOTCLKSQVNOU-LLVKDONJSA-N 1 0 335.389 1.946 20 5 EDBDRO C[C@@H](CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+](C)C ZINC000556641291 306212383 /nfs/dbraw/zinc/21/23/83/306212383.db2.gz GRZDRNGEHNGXCT-NSHDSACASA-N 1 0 333.392 1.868 20 5 EDBDRO COC(=O)COc1ccc(CN[C@@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000414961749 447374922 /nfs/dbraw/zinc/37/49/22/447374922.db2.gz WCPWBYBWVHMSED-WCQYABFASA-N 1 0 337.376 1.377 20 5 EDBDRO COC(=O)COc1ccc(CN[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000414960793 447375002 /nfs/dbraw/zinc/37/50/02/447375002.db2.gz YKSDUUQIUTUXFM-AAEUAGOBSA-N 1 0 337.376 1.377 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000070447482 441111884 /nfs/dbraw/zinc/11/18/84/441111884.db2.gz UJBJNJDJUMXDQT-LLVKDONJSA-N 1 0 335.813 1.818 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000058176255 441156395 /nfs/dbraw/zinc/15/63/95/441156395.db2.gz FMKUOQRDROROOL-UHFFFAOYSA-N 1 0 327.406 1.618 20 5 EDBDRO CNC(=O)[C@H](C)C[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000081527753 441282522 /nfs/dbraw/zinc/28/25/22/441282522.db2.gz ZUSNGNGCZZTTCU-BXUZGUMPSA-N 1 0 334.376 1.014 20 5 EDBDRO COC(=O)C1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000026711998 441382421 /nfs/dbraw/zinc/38/24/21/441382421.db2.gz XLANLLWVGSSNNL-AWEZNQCLSA-N 1 0 338.360 1.220 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(c3nnc[nH]3)CC2)c1 ZINC000083424921 441360683 /nfs/dbraw/zinc/36/06/83/441360683.db2.gz JXMBRHNUMWLQKZ-AWEZNQCLSA-N 1 0 347.375 1.332 20 5 EDBDRO CC(C)(C)CC[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000064308911 441370827 /nfs/dbraw/zinc/37/08/27/441370827.db2.gz FZDYSBPRLQYAKY-UHFFFAOYSA-N 1 0 337.424 1.762 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NC[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000108332400 441445517 /nfs/dbraw/zinc/44/55/17/441445517.db2.gz WCSRGGOJTQIMTF-GFCCVEGCSA-N 1 0 349.387 1.843 20 5 EDBDRO COc1cc(OCC(=O)NC[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000108344738 441447509 /nfs/dbraw/zinc/44/75/09/441447509.db2.gz RPLNPIYPKVDMTR-LBPRGKRZSA-N 1 0 337.376 1.440 20 5 EDBDRO COc1ccc(NC(=O)CN2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000109804900 441507402 /nfs/dbraw/zinc/50/74/02/441507402.db2.gz WQOUJCYZWSQMAV-LBPRGKRZSA-N 1 0 336.392 1.568 20 5 EDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CCO)c1ccccc1 ZINC000075899727 441565026 /nfs/dbraw/zinc/56/50/26/441565026.db2.gz OAXIRUYBHDPCLF-HOTGVXAUSA-N 1 0 334.376 1.208 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000112917280 441567320 /nfs/dbraw/zinc/56/73/20/441567320.db2.gz ZACVPVSFRZWXBG-NSHDSACASA-N 1 0 340.449 1.721 20 5 EDBDRO C[NH+](C)CC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000066862215 441576644 /nfs/dbraw/zinc/57/66/44/441576644.db2.gz JGLOJASXQSBYQW-UHFFFAOYSA-N 1 0 326.784 1.458 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000041134560 441634992 /nfs/dbraw/zinc/63/49/92/441634992.db2.gz ROFHAMGLLQKLMD-UHFFFAOYSA-N 1 0 334.376 1.444 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC[NH+](C)CC1 ZINC000114735671 441679746 /nfs/dbraw/zinc/67/97/46/441679746.db2.gz DFXOFIIKVNPEHG-UHFFFAOYSA-N 1 0 327.406 1.530 20 5 EDBDRO C[C@@H](CNc1c([N+](=O)[O-])ncn1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000076744573 441683193 /nfs/dbraw/zinc/68/31/93/441683193.db2.gz ONVBAIWOPMEXEY-AWEZNQCLSA-N 1 0 344.419 1.951 20 5 EDBDRO CCN(CCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)S(C)(=O)=O ZINC000077290484 441747556 /nfs/dbraw/zinc/74/75/56/441747556.db2.gz HYXJDKZYLRSNMS-UHFFFAOYSA-N 1 0 329.422 1.664 20 5 EDBDRO CCN(CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000121551201 441730167 /nfs/dbraw/zinc/73/01/67/441730167.db2.gz RMLGCHCWGNJIAF-GFCCVEGCSA-N 1 0 329.422 1.917 20 5 EDBDRO CNc1ccc(C(=O)NC2CC[NH+](CCOC)CC2)cc1[N+](=O)[O-] ZINC000138544855 441792378 /nfs/dbraw/zinc/79/23/78/441792378.db2.gz MLDHHIWTAUREEY-UHFFFAOYSA-N 1 0 336.392 1.477 20 5 EDBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000068468658 441804051 /nfs/dbraw/zinc/80/40/51/441804051.db2.gz OCJQZOBHZGGQHV-ZDUSSCGKSA-N 1 0 328.372 1.902 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000124888249 441963214 /nfs/dbraw/zinc/96/32/14/441963214.db2.gz ZIRPNIIGBZNGNK-RKDXNWHRSA-N 1 0 333.797 1.796 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+]C[C@H]1C ZINC000125329716 442011578 /nfs/dbraw/zinc/01/15/78/442011578.db2.gz QSHHBUBZQPNQKD-ZJUUUORDSA-N 1 0 327.768 1.836 20 5 EDBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000162196868 442072492 /nfs/dbraw/zinc/07/24/92/442072492.db2.gz STBMXXKIHVTSMW-INIZCTEOSA-N 1 0 332.404 1.333 20 5 EDBDRO CCCC[C@H](C[NH3+])NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000162800330 442123584 /nfs/dbraw/zinc/12/35/84/442123584.db2.gz AJQPICNQTACKHA-LLVKDONJSA-N 1 0 325.365 1.616 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000151639591 442098299 /nfs/dbraw/zinc/09/82/99/442098299.db2.gz GHVUILPTIQGBDM-CYBMUJFWSA-N 1 0 339.417 1.701 20 5 EDBDRO COc1ccc(OCC[N@H+](C)[C@H](C)C[S@@](C)=O)c([N+](=O)[O-])c1 ZINC000126328977 442100217 /nfs/dbraw/zinc/10/02/17/442100217.db2.gz GCFPBHVZHHBYSB-XFNZEKPQSA-N 1 0 330.406 1.681 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127361838 442196536 /nfs/dbraw/zinc/19/65/36/442196536.db2.gz VEAMBGIBGUJWIW-AWEZNQCLSA-N 1 0 333.388 1.918 20 5 EDBDRO NC(=O)CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000170734667 442253552 /nfs/dbraw/zinc/25/35/52/442253552.db2.gz FRGOWALMLQMUFY-ZDUSSCGKSA-N 1 0 348.403 1.901 20 5 EDBDRO C[NH+](C)C1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000127854653 442229066 /nfs/dbraw/zinc/22/90/66/442229066.db2.gz ZLABNUYDYSFRLY-MRXNPFEDSA-N 1 0 332.404 1.726 20 5 EDBDRO C[C@@H]1C[C@H](N(C)C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000127864416 442230055 /nfs/dbraw/zinc/23/00/55/442230055.db2.gz CPRCREQGBCSNRW-TZMCWYRMSA-N 1 0 349.387 1.727 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000153699387 442297463 /nfs/dbraw/zinc/29/74/63/442297463.db2.gz UDHHBYYMLONIBY-GFCCVEGCSA-N 1 0 334.376 1.300 20 5 EDBDRO COc1cc(OCC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000177168806 442308557 /nfs/dbraw/zinc/30/85/57/442308557.db2.gz BTKGRHSNGDSLNF-RYUDHWBXSA-N 1 0 349.387 1.724 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000130950488 442360693 /nfs/dbraw/zinc/36/06/93/442360693.db2.gz AUMDJXIDBOXVGN-DGCLKSJQSA-N 1 0 327.406 1.484 20 5 EDBDRO C[NH+](C)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1F ZINC000155918041 442436217 /nfs/dbraw/zinc/43/62/17/442436217.db2.gz TZVCTMQPEYWJLR-UHFFFAOYSA-N 1 0 348.334 1.826 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000156201422 442454041 /nfs/dbraw/zinc/45/40/41/442454041.db2.gz DTQCGELBFUACMD-YRGRVCCFSA-N 1 0 348.403 1.299 20 5 EDBDRO CC[C@@]1(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCC[NH2+]1 ZINC000134608519 442501344 /nfs/dbraw/zinc/50/13/44/442501344.db2.gz MYEFYKRFXRYBGM-WBMJQRKESA-N 1 0 333.392 1.535 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000178863150 442507076 /nfs/dbraw/zinc/50/70/76/442507076.db2.gz YWEISNWQDWWPQF-SFHVURJKSA-N 1 0 349.431 1.672 20 5 EDBDRO COc1cc(CCNC(=O)[C@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000191994971 442558538 /nfs/dbraw/zinc/55/85/38/442558538.db2.gz JLDIYROCARCLMY-ZJUUUORDSA-N 1 0 325.365 1.254 20 5 EDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000186706865 442595518 /nfs/dbraw/zinc/59/55/18/442595518.db2.gz CTSGHJHFYDLCIU-UHFFFAOYSA-N 1 0 343.387 1.947 20 5 EDBDRO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000180423327 442600085 /nfs/dbraw/zinc/60/00/85/442600085.db2.gz UYIROAYZNAQFCQ-WFASDCNBSA-N 1 0 348.403 1.373 20 5 EDBDRO C[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000179221616 442600487 /nfs/dbraw/zinc/60/04/87/442600487.db2.gz KXMQCPPSIFVOTN-LRDDRELGSA-N 1 0 343.387 1.980 20 5 EDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@H]2C1 ZINC000192529055 442658306 /nfs/dbraw/zinc/65/83/06/442658306.db2.gz UYVKWSNVDMTUAL-TXEJJXNPSA-N 1 0 326.356 1.777 20 5 EDBDRO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)C[C@H]2C1 ZINC000192464636 442649528 /nfs/dbraw/zinc/64/95/28/442649528.db2.gz LLJVJSMVMYZZTM-BFQNTYOBSA-N 1 0 344.371 1.108 20 5 EDBDRO CCOc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000186880520 442625188 /nfs/dbraw/zinc/62/51/88/442625188.db2.gz REUYPTULIMENLF-CMPLNLGQSA-N 1 0 337.376 1.730 20 5 EDBDRO C[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 ZINC000181285974 442688137 /nfs/dbraw/zinc/68/81/37/442688137.db2.gz VPADVSKAXZKAQY-UHFFFAOYSA-N 1 0 348.403 1.255 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000192921320 442698571 /nfs/dbraw/zinc/69/85/71/442698571.db2.gz CGLXNZKVIPNTIZ-TXEJJXNPSA-N 1 0 325.390 1.085 20 5 EDBDRO NC(=O)C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000181952921 442723497 /nfs/dbraw/zinc/72/34/97/442723497.db2.gz VEDXOAQTOHISTJ-CYBMUJFWSA-N 1 0 337.376 1.234 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000193234683 442724658 /nfs/dbraw/zinc/72/46/58/442724658.db2.gz LEXUYKRLVBVZDD-UHFFFAOYSA-N 1 0 327.406 1.490 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000188219198 442725718 /nfs/dbraw/zinc/72/57/18/442725718.db2.gz DBLNTJUESIVDLP-UHFFFAOYSA-N 1 0 348.403 1.784 20 5 EDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000193334845 442734106 /nfs/dbraw/zinc/73/41/06/442734106.db2.gz UOLMFZJRTXDEBG-GFCCVEGCSA-N 1 0 327.406 1.584 20 5 EDBDRO CC[NH+](CC)CCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188395984 442746380 /nfs/dbraw/zinc/74/63/80/442746380.db2.gz BBJKBIVTQOGGRQ-UHFFFAOYSA-N 1 0 336.392 1.709 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000193859482 442800886 /nfs/dbraw/zinc/80/08/86/442800886.db2.gz QKNFSKJFLYPUSA-GFCCVEGCSA-N 1 0 329.360 1.796 20 5 EDBDRO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000247915848 442873607 /nfs/dbraw/zinc/87/36/07/442873607.db2.gz BBOLNKKONPNCFV-HIFRSBDPSA-N 1 0 343.387 1.812 20 5 EDBDRO COc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000268265354 442924514 /nfs/dbraw/zinc/92/45/14/442924514.db2.gz ROTNFALUIWUFTQ-ZWNOBZJWSA-N 1 0 343.405 1.174 20 5 EDBDRO C[C@H](CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[N@H+](C)C1CC1 ZINC000189362100 442929711 /nfs/dbraw/zinc/92/97/11/442929711.db2.gz SJHROCRLNGZSTB-GFCCVEGCSA-N 1 0 348.403 1.850 20 5 EDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295498219 318648683 /nfs/dbraw/zinc/64/86/83/318648683.db2.gz QQCVGMDNHBHQCM-ZDUSSCGKSA-N 1 0 349.309 1.656 20 5 EDBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000184370379 443016311 /nfs/dbraw/zinc/01/63/11/443016311.db2.gz UMIDKJWNDYIFKD-LQYUOIDQSA-N 1 0 346.431 1.750 20 5 EDBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255310717 443093617 /nfs/dbraw/zinc/09/36/17/443093617.db2.gz MYEONPXXVNJRBE-HJWRWDBZSA-N 1 0 346.431 1.704 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]12 ZINC000184980826 443110533 /nfs/dbraw/zinc/11/05/33/443110533.db2.gz JVDAMOMIKJZBCI-KCPJHIHWSA-N 1 0 341.371 1.590 20 5 EDBDRO COc1ccc([C@H](C)[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000266401740 443116903 /nfs/dbraw/zinc/11/69/03/443116903.db2.gz FAAAXDRRYLNXFH-SWLSCSKDSA-N 1 0 334.376 1.854 20 5 EDBDRO C[C@@H]1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@H]1C[NH3+] ZINC000237450423 443171705 /nfs/dbraw/zinc/17/17/05/443171705.db2.gz CJQPJJQYXJKSFW-ABAIWWIYSA-N 1 0 344.375 1.375 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1C ZINC000237556424 443175632 /nfs/dbraw/zinc/17/56/32/443175632.db2.gz MWHDTALESCKMML-YGRLFVJLSA-N 1 0 341.433 1.960 20 5 EDBDRO [NH3+]Cc1ccc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000237958347 443190574 /nfs/dbraw/zinc/19/05/74/443190574.db2.gz ZHMRIXQRGWVXGT-JTQLQIEISA-N 1 0 331.332 1.368 20 5 EDBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000266520104 443154752 /nfs/dbraw/zinc/15/47/52/443154752.db2.gz ZMOYYOZGFLFWGD-CABZTGNLSA-N 1 0 326.303 1.781 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1(CO)CCOCC1 ZINC000190980175 443219133 /nfs/dbraw/zinc/21/91/33/443219133.db2.gz UJGJWUYBEYCNJP-UHFFFAOYSA-N 1 0 337.376 1.315 20 5 EDBDRO COCC1(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000326331637 318945479 /nfs/dbraw/zinc/94/54/79/318945479.db2.gz RTDNDNIXGGDFHV-AATRIKPKSA-N 1 0 333.388 1.740 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])C[C@H]12 ZINC000262579558 443201738 /nfs/dbraw/zinc/20/17/38/443201738.db2.gz YSMJYZSHXLRENU-ATZCPNFKSA-N 1 0 329.353 1.092 20 5 EDBDRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185764217 443253491 /nfs/dbraw/zinc/25/34/91/443253491.db2.gz JFUDLDFIWNPJAP-UHFFFAOYSA-N 1 0 327.406 1.557 20 5 EDBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1C ZINC000414062933 319314830 /nfs/dbraw/zinc/31/48/30/319314830.db2.gz CGJILHWOUOYFDQ-SUNKGSAMSA-N 1 0 327.406 1.507 20 5 EDBDRO C[NH2+][C@H](C)Cc1noc(-c2cccc([N+](=O)[O-])c2N2CCOCC2)n1 ZINC000414641594 319334779 /nfs/dbraw/zinc/33/47/79/319334779.db2.gz IJBKDVLHGMYUET-LLVKDONJSA-N 1 0 347.375 1.632 20 5 EDBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185861075 443270080 /nfs/dbraw/zinc/27/00/80/443270080.db2.gz WRGQJCWIRZQHCH-CYBMUJFWSA-N 1 0 341.433 1.947 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000264481337 443306108 /nfs/dbraw/zinc/30/61/08/443306108.db2.gz HWLVMERASUGITP-LLVKDONJSA-N 1 0 327.768 1.699 20 5 EDBDRO CNS(=O)(=O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000264606640 443344289 /nfs/dbraw/zinc/34/42/89/443344289.db2.gz GNKKJNPBIZVLBM-UHFFFAOYSA-N 1 0 327.406 1.151 20 5 EDBDRO O=C(N[C@@H]1CCCC[NH2+]C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418367613 319499808 /nfs/dbraw/zinc/49/98/08/319499808.db2.gz KVYLRIJXAXFTCR-GFCCVEGCSA-N 1 0 334.376 1.510 20 5 EDBDRO COC[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)OC ZINC000272636629 443390472 /nfs/dbraw/zinc/39/04/72/443390472.db2.gz BTXDOJCFVPOBJQ-OAHLLOKOSA-N 1 0 334.376 1.746 20 5 EDBDRO CNC(=O)c1ccc(NC[C@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000267127095 443350990 /nfs/dbraw/zinc/35/09/90/443350990.db2.gz VBDVIUUEASSNHU-OAHLLOKOSA-N 1 0 338.433 1.804 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000419156571 319564190 /nfs/dbraw/zinc/56/41/90/319564190.db2.gz CGMOQCVWWQLNLY-TUKIKUTGSA-N 1 0 348.403 1.419 20 5 EDBDRO CN(CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000282526718 443364839 /nfs/dbraw/zinc/36/48/39/443364839.db2.gz UPFRIYZQYMDIFW-MRXNPFEDSA-N 1 0 343.387 1.608 20 5 EDBDRO COC(=O)c1cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000264663907 443366050 /nfs/dbraw/zinc/36/60/50/443366050.db2.gz UORUIONSIZVDFM-NSHDSACASA-N 1 0 347.371 1.596 20 5 EDBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000264666369 443366168 /nfs/dbraw/zinc/36/61/68/443366168.db2.gz IMLJDQRVEPAZCV-GFCCVEGCSA-N 1 0 331.376 1.052 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000278577196 443366486 /nfs/dbraw/zinc/36/64/86/443366486.db2.gz JVETUJZSRBVLCH-QWHCGFSZSA-N 1 0 336.392 1.822 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278721353 443413911 /nfs/dbraw/zinc/41/39/11/443413911.db2.gz PQQGTRIOYNICOQ-GFCCVEGCSA-N 1 0 346.391 1.707 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420384639 319613890 /nfs/dbraw/zinc/61/38/90/319613890.db2.gz UJEOGEMVYYSTEO-KRWDZBQOSA-N 1 0 332.404 1.917 20 5 EDBDRO Cc1nn(CCC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000272766027 443437454 /nfs/dbraw/zinc/43/74/54/443437454.db2.gz QEZRYPIVEZUOCD-LLVKDONJSA-N 1 0 335.408 1.565 20 5 EDBDRO C[C@H]1C[N@H+](CCCNC(=O)Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000278679652 443400916 /nfs/dbraw/zinc/40/09/16/443400916.db2.gz UIPKZTHYTJUREI-AWEZNQCLSA-N 1 0 335.404 1.754 20 5 EDBDRO CC(C)(C(=O)N1c2ccccc2C[C@@H]1C[NH3+])n1cc([N+](=O)[O-])cn1 ZINC000422627696 319722667 /nfs/dbraw/zinc/72/26/67/319722667.db2.gz PXUKUXWBYIHNBI-GFCCVEGCSA-N 1 0 329.360 1.443 20 5 EDBDRO COCC1(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC[NH2+]CC1 ZINC000423652537 319797980 /nfs/dbraw/zinc/79/79/80/319797980.db2.gz NNMDZVITWRFNSU-UHFFFAOYSA-N 1 0 335.404 1.958 20 5 EDBDRO C[C@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272935672 443494299 /nfs/dbraw/zinc/49/42/99/443494299.db2.gz LMEYGPKCGIMDKE-LBPRGKRZSA-N 1 0 347.371 1.553 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCCC1 ZINC000272239587 443565100 /nfs/dbraw/zinc/56/51/00/443565100.db2.gz WCGAARQJDWZMCL-UHFFFAOYSA-N 1 0 335.360 1.928 20 5 EDBDRO O=C(NC[C@@H](O)C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000273374629 443568913 /nfs/dbraw/zinc/56/89/13/443568913.db2.gz HESKGPUSNHXQER-LLVKDONJSA-N 1 0 326.328 1.312 20 5 EDBDRO C[NH+](C)Cc1cc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)ccc1F ZINC000265267602 443589524 /nfs/dbraw/zinc/58/95/24/443589524.db2.gz FYJFDKZFFTVSIU-UHFFFAOYSA-N 1 0 335.339 1.308 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272203464 443555737 /nfs/dbraw/zinc/55/57/37/443555737.db2.gz OWTLXILIFUZUGA-VXGBXAGGSA-N 1 0 333.344 1.680 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272428104 443622465 /nfs/dbraw/zinc/62/24/65/443622465.db2.gz IVDWYSLWVQVWQI-ABAIWWIYSA-N 1 0 348.359 1.978 20 5 EDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000286051769 443635216 /nfs/dbraw/zinc/63/52/16/443635216.db2.gz LIPFGVMIZXFNLQ-FTGAXOIBSA-N 1 0 325.340 1.615 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH3+] ZINC000429184240 319923449 /nfs/dbraw/zinc/92/34/49/319923449.db2.gz SNBZDTVQWIOZJK-RNCFNFMXSA-N 1 0 330.344 1.658 20 5 EDBDRO CCN1CC[NH+](CCCCNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272399094 443614245 /nfs/dbraw/zinc/61/42/45/443614245.db2.gz HNSJLLCLLMFFEC-UHFFFAOYSA-N 1 0 349.435 1.325 20 5 EDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000286143664 443655209 /nfs/dbraw/zinc/65/52/09/443655209.db2.gz POQCDFBNGDTEMV-HSMVNMDESA-N 1 0 348.403 1.217 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276150806 443655650 /nfs/dbraw/zinc/65/56/50/443655650.db2.gz DSILRBFYKVBIDH-GFCCVEGCSA-N 1 0 327.406 1.529 20 5 EDBDRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC12COC2 ZINC000449367410 320184778 /nfs/dbraw/zinc/18/47/78/320184778.db2.gz WCIOYXSVXJCHBY-HNNXBMFYSA-N 1 0 334.372 1.915 20 5 EDBDRO CCOC(=O)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC12COC2 ZINC000449367411 320184960 /nfs/dbraw/zinc/18/49/60/320184960.db2.gz WCIOYXSVXJCHBY-OAHLLOKOSA-N 1 0 334.372 1.915 20 5 EDBDRO COC(=O)COc1ccc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000449522071 320193639 /nfs/dbraw/zinc/19/36/39/320193639.db2.gz KNGSZVJTMOWOFD-DZGCQCFKSA-N 1 0 349.387 1.283 20 5 EDBDRO [NH3+]CC[C@@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)F ZINC000449622484 320195397 /nfs/dbraw/zinc/19/53/97/320195397.db2.gz KAOZJTMMYUFREU-SECBINFHSA-N 1 0 345.302 1.007 20 5 EDBDRO CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1(C[NH3+])CCC1 ZINC000449678092 320199264 /nfs/dbraw/zinc/19/92/64/320199264.db2.gz OTPLZESVOSJRJB-UHFFFAOYSA-N 1 0 329.360 1.734 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000454113731 320285702 /nfs/dbraw/zinc/28/57/02/320285702.db2.gz WQQACRGOBWNXCS-CQSZACIVSA-N 1 0 348.403 1.783 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491560660 320372088 /nfs/dbraw/zinc/37/20/88/320372088.db2.gz GOEQYQRZWKZNFH-AFNCTOJWSA-N 1 0 332.404 1.360 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491564309 320372364 /nfs/dbraw/zinc/37/23/64/320372364.db2.gz WUBBXRVOPUAENI-CXOKCQFOSA-N 1 0 333.388 1.835 20 5 EDBDRO CC[N@@H+]1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286306425 443687170 /nfs/dbraw/zinc/68/71/70/443687170.db2.gz CSCGMVFHMXBVOY-LBPRGKRZSA-N 1 0 336.392 1.568 20 5 EDBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280225067 443678076 /nfs/dbraw/zinc/67/80/76/443678076.db2.gz APQYRZNFAMXSHZ-HWPZZCPQSA-N 1 0 345.359 1.903 20 5 EDBDRO COC(=O)[C@]1(C(F)(F)F)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000286266177 443679832 /nfs/dbraw/zinc/67/98/32/443679832.db2.gz BFOUYFWMGNYLQS-NSHDSACASA-N 1 0 336.270 1.219 20 5 EDBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C2)CC1 ZINC000276382778 443694301 /nfs/dbraw/zinc/69/43/01/443694301.db2.gz QFRPTNHSJNKIGE-CQSZACIVSA-N 1 0 347.419 1.029 20 5 EDBDRO Cc1c(C(=O)N[C@@H](C)C[C@H](C)[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000521629377 320484942 /nfs/dbraw/zinc/48/49/42/320484942.db2.gz VWFQJGOVAKTQND-UWVGGRQHSA-N 1 0 332.364 1.340 20 5 EDBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000280859715 443760241 /nfs/dbraw/zinc/76/02/41/443760241.db2.gz INNQNHMWZMXNNI-HNNXBMFYSA-N 1 0 325.340 1.701 20 5 EDBDRO CCCc1n[nH]c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000288265168 443824861 /nfs/dbraw/zinc/82/48/61/443824861.db2.gz GSDRHPNRVHOEBJ-NEPJUHHUSA-N 1 0 335.408 1.969 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(CCOc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000293163295 443940999 /nfs/dbraw/zinc/94/09/99/443940999.db2.gz FRJSWPGTWPWQOG-DLBZAZTESA-N 1 0 335.404 1.769 20 5 EDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])C2)C1 ZINC000293185449 443946291 /nfs/dbraw/zinc/94/62/91/443946291.db2.gz DFJNMFWDIGYSFX-QGZVFWFLSA-N 1 0 332.404 1.875 20 5 EDBDRO CCN1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000285272989 443921048 /nfs/dbraw/zinc/92/10/48/443921048.db2.gz ITDSGWMRPJZBNO-JTQLQIEISA-N 1 0 331.369 1.449 20 5 EDBDRO CCCC[N@H+](C)C[C@H](C)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000288714267 443961649 /nfs/dbraw/zinc/96/16/49/443961649.db2.gz CRWLVZUHXVKOBR-NSHDSACASA-N 1 0 344.437 1.775 20 5 EDBDRO C[N@@H+]1CCN(CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1(C)C ZINC000281642713 443968020 /nfs/dbraw/zinc/96/80/20/443968020.db2.gz MPMSXUOUOMRWTH-UHFFFAOYSA-N 1 0 335.408 1.132 20 5 EDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000281947059 444045948 /nfs/dbraw/zinc/04/59/48/444045948.db2.gz LUATUACUDGLXAX-ZDUSSCGKSA-N 1 0 348.403 1.302 20 5 EDBDRO C[NH+](C)CC1(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CCC1 ZINC000281819252 444014990 /nfs/dbraw/zinc/01/49/90/444014990.db2.gz VOCOTVZDTBWRGN-UHFFFAOYSA-N 1 0 335.389 1.814 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000562800674 321076878 /nfs/dbraw/zinc/07/68/78/321076878.db2.gz OSXDAVHQXJOSOX-QWHCGFSZSA-N 1 0 334.376 1.225 20 5 EDBDRO COCC[C@](C)(O)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000567888206 321265692 /nfs/dbraw/zinc/26/56/92/321265692.db2.gz GNKSJRXAOBUFIE-GUTXKFCHSA-N 1 0 326.397 1.652 20 5 EDBDRO CC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000570570127 321348517 /nfs/dbraw/zinc/34/85/17/321348517.db2.gz LTRYHJPPUHEYHF-BPUTZDHNSA-N 1 0 326.393 1.720 20 5 EDBDRO COc1cc(C(=O)N2CCC3(CC[NH2+]3)CC2)c([N+](=O)[O-])cc1OC ZINC000570570148 321348700 /nfs/dbraw/zinc/34/87/00/321348700.db2.gz QQIHNCSRSYFPCP-UHFFFAOYSA-N 1 0 335.360 1.580 20 5 EDBDRO O=C1C[C@H]([NH2+]CC2(O)CCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000571101900 321371633 /nfs/dbraw/zinc/37/16/33/321371633.db2.gz RHTCKMYRCUNHSJ-ZDUSSCGKSA-N 1 0 333.344 1.121 20 5 EDBDRO Cc1cccnc1CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572149568 321418404 /nfs/dbraw/zinc/41/84/04/321418404.db2.gz KANYNAUPAPQBTH-AWEZNQCLSA-N 1 0 331.372 1.870 20 5 EDBDRO COC(=O)c1cc(N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301399555 444169742 /nfs/dbraw/zinc/16/97/42/444169742.db2.gz HWSWAFHVPZKVFI-NWDGAFQWSA-N 1 0 337.376 1.273 20 5 EDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000574803874 321502631 /nfs/dbraw/zinc/50/26/31/321502631.db2.gz SPZBVWAGYWTXLB-MNOVXSKESA-N 1 0 335.360 1.613 20 5 EDBDRO Cc1cc(F)c(NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000296195382 444211844 /nfs/dbraw/zinc/21/18/44/444211844.db2.gz COHKXAVHYCOWPG-JTQLQIEISA-N 1 0 338.339 1.143 20 5 EDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000301691912 444185681 /nfs/dbraw/zinc/18/56/81/444185681.db2.gz YZXZTVQGNZHFDE-QWHCGFSZSA-N 1 0 342.193 1.877 20 5 EDBDRO CC(C)[C@@H](CNc1cc(CO)ccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000302069328 444203331 /nfs/dbraw/zinc/20/33/31/444203331.db2.gz VEOXGDCWRJXDSK-QGZVFWFLSA-N 1 0 336.436 1.771 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2cc3ccccc3o2)c1 ZINC000577741443 321678746 /nfs/dbraw/zinc/67/87/46/321678746.db2.gz LCCWOUUPURTHFR-AWEZNQCLSA-N 1 0 330.344 1.731 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000324753348 444357454 /nfs/dbraw/zinc/35/74/54/444357454.db2.gz UODNAPGUFHTSOL-CHWSQXEVSA-N 1 0 333.392 1.156 20 5 EDBDRO C[C@@H]1CN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000321239855 444334789 /nfs/dbraw/zinc/33/47/89/444334789.db2.gz OCTYJQYPFGTMFO-PHIMTYICSA-N 1 0 342.421 1.032 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000321585261 444336669 /nfs/dbraw/zinc/33/66/69/444336669.db2.gz IOYLFZMBJKHVPV-HUUCEWRRSA-N 1 0 339.417 1.890 20 5 EDBDRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000340579939 444448394 /nfs/dbraw/zinc/44/83/94/444448394.db2.gz JWWDNAODZLGDJG-HIFRSBDPSA-N 1 0 344.371 1.288 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCCn2cccn2)cc1 ZINC000580915271 322111700 /nfs/dbraw/zinc/11/17/00/322111700.db2.gz NWTWTFMKVCTRDX-UHFFFAOYSA-N 1 0 338.389 1.245 20 5 EDBDRO CC[N@H+](CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)C(C)C ZINC000581104480 322135268 /nfs/dbraw/zinc/13/52/68/322135268.db2.gz QUIBIAATPNINSR-UHFFFAOYSA-N 1 0 330.410 1.384 20 5 EDBDRO CCOc1cc(CN2C(=O)N[C@@]3(CCC[NH2+]C3)C2=O)ccc1[N+](=O)[O-] ZINC000581130755 322139986 /nfs/dbraw/zinc/13/99/86/322139986.db2.gz YUUZNGFVIJRZTD-MRXNPFEDSA-N 1 0 348.359 1.168 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])cn(Cc2ccc3c(c2)C[NH2+]CC3)c1=O ZINC000581551670 322191576 /nfs/dbraw/zinc/19/15/76/322191576.db2.gz VUZBTJSSALLTEO-UHFFFAOYSA-N 1 0 343.339 1.237 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2cccc(F)c2F)c1 ZINC000581603353 322197471 /nfs/dbraw/zinc/19/74/71/322197471.db2.gz UHLJUFWGGFQJEC-LBPRGKRZSA-N 1 0 326.303 1.263 20 5 EDBDRO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@H]1Cc1ccccc1 ZINC000343706331 444533416 /nfs/dbraw/zinc/53/34/16/444533416.db2.gz JZCISIYCIBWATA-CYBMUJFWSA-N 1 0 328.376 1.330 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCSC[C@H]1CO ZINC000343774646 444582159 /nfs/dbraw/zinc/58/21/59/444582159.db2.gz VNMQRPODEQBSAY-CYBMUJFWSA-N 1 0 339.417 1.642 20 5 EDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342153933 444538295 /nfs/dbraw/zinc/53/82/95/444538295.db2.gz ISAMWGACZCAKCZ-RQJABVFESA-N 1 0 332.404 1.981 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000342245507 444585884 /nfs/dbraw/zinc/58/58/84/444585884.db2.gz JZPVFKNDMGVQQH-RNCFNFMXSA-N 1 0 340.405 1.137 20 5 EDBDRO CO[C@@H]1C[C@@H](CN(C)c2nc(-c3ccc([N+](=O)[O-])cc3)no2)[N@H+](C)C1 ZINC000343873191 444640140 /nfs/dbraw/zinc/64/01/40/444640140.db2.gz HIZJYRRJZHNFTK-UONOGXRCSA-N 1 0 347.375 1.800 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H](C)CCCC[NH3+])c([N+](=O)[O-])c1 ZINC000336867522 444811506 /nfs/dbraw/zinc/81/15/06/444811506.db2.gz RNUBQGRAGHBGLE-JTQLQIEISA-N 1 0 331.394 1.399 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCNc2cc[nH+]cc2)c1 ZINC000338771678 444846981 /nfs/dbraw/zinc/84/69/81/444846981.db2.gz UIHAFJZHKVSIBZ-UHFFFAOYSA-N 1 0 330.344 1.652 20 5 EDBDRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000337312810 445028766 /nfs/dbraw/zinc/02/87/66/445028766.db2.gz VXFOMAJHUUBIQX-JSGCOSHPSA-N 1 0 327.406 1.402 20 5 EDBDRO CO[C@@H]1C[C@H](CN(C)C(=O)CCc2cccc([N+](=O)[O-])c2)[N@H+](C)C1 ZINC000344492276 445007841 /nfs/dbraw/zinc/00/78/41/445007841.db2.gz GAPODJSKWDVCMJ-HZPDHXFCSA-N 1 0 335.404 1.705 20 5 EDBDRO CO[C@H]1C[C@H](CN(C)C(=O)Cc2cccc([N+](=O)[O-])c2C)[N@H+](C)C1 ZINC000344493313 445008861 /nfs/dbraw/zinc/00/88/61/445008861.db2.gz HFMMDOITGGVPBG-CABCVRRESA-N 1 0 335.404 1.623 20 5 EDBDRO COc1ccc(NC(=O)CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000330600921 445055320 /nfs/dbraw/zinc/05/53/20/445055320.db2.gz VMIADCSPWRSWTH-NEPJUHHUSA-N 1 0 336.392 1.566 20 5 EDBDRO C[C@@H]1OCC[C@H]1[N@H+](CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337456272 445089249 /nfs/dbraw/zinc/08/92/49/445089249.db2.gz HYSFAUSPBRFKSX-GXTWGEPZSA-N 1 0 337.376 1.395 20 5 EDBDRO O=C1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C2CC2)N1 ZINC000342063586 445152025 /nfs/dbraw/zinc/15/20/25/445152025.db2.gz KIYFSWKOHYMZKU-MLGOLLRUSA-N 1 0 329.360 1.618 20 5 EDBDRO C[C@H](C[NH+](C)C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000346133129 445206720 /nfs/dbraw/zinc/20/67/20/445206720.db2.gz ASZTXGPMOSVOME-CYBMUJFWSA-N 1 0 334.420 1.878 20 5 EDBDRO Cn1nccc1[C@H]1[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC(=O)N1C ZINC000343394468 445215281 /nfs/dbraw/zinc/21/52/81/445215281.db2.gz GGTKPEPZQDMAPX-WMLDXEAASA-N 1 0 343.387 1.780 20 5 EDBDRO C[C@H]1[C@@H](Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CCC[N@@H+]1C ZINC000343506444 445235602 /nfs/dbraw/zinc/23/56/02/445235602.db2.gz HEAWVHIZRGYNBM-ONGXEEELSA-N 1 0 328.394 1.137 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000354483402 445257367 /nfs/dbraw/zinc/25/73/67/445257367.db2.gz BLUYILHUZQYFMR-GFCCVEGCSA-N 1 0 348.403 1.648 20 5 EDBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000348640609 445342891 /nfs/dbraw/zinc/34/28/91/445342891.db2.gz HQRUAGYGYHHQAL-FWVUHSSSSA-N 1 0 344.371 1.624 20 5 EDBDRO COc1ccc(OCC[N@@H+]2CCC[C@]3(CNC(=O)C3)C2)c([N+](=O)[O-])c1 ZINC000362409773 445366186 /nfs/dbraw/zinc/36/61/86/445366186.db2.gz IUWOYPCQXUVVQH-KRWDZBQOSA-N 1 0 349.387 1.584 20 5 EDBDRO C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000359810847 445440249 /nfs/dbraw/zinc/44/02/49/445440249.db2.gz PUBKRLPDXPIOPZ-GXTWGEPZSA-N 1 0 343.387 1.721 20 5 EDBDRO O=C(NC1CC1)N[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000355105076 445444182 /nfs/dbraw/zinc/44/41/82/445444182.db2.gz VKZCCCYSOFDARJ-ZDUSSCGKSA-N 1 0 334.376 1.510 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2C[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000359984160 445514574 /nfs/dbraw/zinc/51/45/74/445514574.db2.gz KXEHZEAVCLCLIO-KBPBESRZSA-N 1 0 339.417 1.570 20 5 EDBDRO CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1C[NH+]2CCC1CC2 ZINC000362786169 445549424 /nfs/dbraw/zinc/54/94/24/445549424.db2.gz RVOJUTNDQLJSGL-OAHLLOKOSA-N 1 0 339.342 1.968 20 5 EDBDRO Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000363183146 445712074 /nfs/dbraw/zinc/71/20/74/445712074.db2.gz OKAIPCXNSJHKDS-ZIAGYGMSSA-N 1 0 334.376 1.888 20 5 EDBDRO CC[C@@](C)(O)C[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000353761798 445743152 /nfs/dbraw/zinc/74/31/52/445743152.db2.gz DZNGOTLYWHBEDT-OAHLLOKOSA-N 1 0 326.349 1.397 20 5 EDBDRO COCC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000350312437 445809449 /nfs/dbraw/zinc/80/94/49/445809449.db2.gz QRJDWPQYHOEMOT-UHFFFAOYSA-N 1 0 325.340 1.461 20 5 EDBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)n(C2CC[NH+](C)CC2)n1 ZINC000354010838 445854220 /nfs/dbraw/zinc/85/42/20/445854220.db2.gz SOYUDNPGDBJUAK-UHFFFAOYSA-N 1 0 333.352 1.342 20 5 EDBDRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000361634397 445859626 /nfs/dbraw/zinc/85/96/26/445859626.db2.gz CSHAJPDORISCKK-HZPDHXFCSA-N 1 0 333.388 1.395 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000359095274 445942061 /nfs/dbraw/zinc/94/20/61/445942061.db2.gz PLHAWUKEFXZODF-GFCCVEGCSA-N 1 0 346.387 1.707 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369278550 446045451 /nfs/dbraw/zinc/04/54/51/446045451.db2.gz RWGMCFNJDNGPFS-CQSZACIVSA-N 1 0 346.431 1.802 20 5 EDBDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000369231027 446008201 /nfs/dbraw/zinc/00/82/01/446008201.db2.gz KNJOEMJFKPHIFV-QWHCGFSZSA-N 1 0 327.450 1.520 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC[N@H+]2CC[C@@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000583983223 326176856 /nfs/dbraw/zinc/17/68/56/326176856.db2.gz QJHKNAAOFUWAEJ-LLVKDONJSA-N 1 0 341.433 1.832 20 5 EDBDRO C[N@@H+]1CCC[C@@H](N2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000369359141 446101855 /nfs/dbraw/zinc/10/18/55/446101855.db2.gz PHTDGIWTHUDWRD-QGZVFWFLSA-N 1 0 348.447 1.685 20 5 EDBDRO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000373248313 446121993 /nfs/dbraw/zinc/12/19/93/446121993.db2.gz XCPCIHPZZKPJGZ-ZIAGYGMSSA-N 1 0 349.435 1.933 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCNc1cnccn1)C1CC1 ZINC000361980157 446123874 /nfs/dbraw/zinc/12/38/74/446123874.db2.gz HRLVTCKILMBLLK-HNNXBMFYSA-N 1 0 327.388 2.408 20 5 EDBDRO COc1ccc2c(c1)[C@@H]([NH3+])CCN2C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000365479017 446226012 /nfs/dbraw/zinc/22/60/12/446226012.db2.gz DNUNHLSAVVAKNU-AWEZNQCLSA-N 1 0 345.359 1.627 20 5 EDBDRO COCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[C@@H](C)C1 ZINC000362151660 446237955 /nfs/dbraw/zinc/23/79/55/446237955.db2.gz UDKBNPLUJUMGQB-NFAWXSAZSA-N 1 0 326.397 1.289 20 5 EDBDRO CCC1(CC)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000362246619 446284306 /nfs/dbraw/zinc/28/43/06/446284306.db2.gz RNKUFJBGJHHOEK-CYBMUJFWSA-N 1 0 328.438 1.760 20 5 EDBDRO COc1ccc2c(c1)[C@H]([NH3+])CCN2C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000365713568 446311256 /nfs/dbraw/zinc/31/12/56/446311256.db2.gz SDJJJZJIGMYVCD-GFCCVEGCSA-N 1 0 345.359 1.696 20 5 EDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000370540847 446324397 /nfs/dbraw/zinc/32/43/97/446324397.db2.gz YAQVLAJAUCCNLO-SQRWCISFSA-N 1 0 345.399 1.978 20 5 EDBDRO Cn1cc([C@H]2[C@H](C[NH2+]Cc3ccc([N+](=O)[O-])cc3)CC(=O)N2C)cn1 ZINC000370635699 446366816 /nfs/dbraw/zinc/36/68/16/446366816.db2.gz QLZJUADBFUYJEL-SUMWQHHRSA-N 1 0 343.387 1.638 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)cccc1[N+](=O)[O-] ZINC000366865282 446388770 /nfs/dbraw/zinc/38/87/70/446388770.db2.gz BYESOLYTFLRRBB-IUODEOHRSA-N 1 0 346.387 1.442 20 5 EDBDRO C[C@@H]1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C[NH3+])C1 ZINC000418083938 446436099 /nfs/dbraw/zinc/43/60/99/446436099.db2.gz NRXSHMYMRINOML-PWSUYJOCSA-N 1 0 346.391 1.740 20 5 EDBDRO O=C1[C@@H]([N@@H+]2CC[C@H]3OCC[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000366905370 446406341 /nfs/dbraw/zinc/40/63/41/446406341.db2.gz GDCQFSTVUTWDAY-VBNZEHGJSA-N 1 0 331.372 1.811 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000411363828 446507916 /nfs/dbraw/zinc/50/79/16/446507916.db2.gz UQECBRQLDVEQLB-QWHCGFSZSA-N 1 0 348.403 1.749 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@@H](C)C[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000420341876 446513920 /nfs/dbraw/zinc/51/39/20/446513920.db2.gz QNMXXIABHFVLFV-NEPJUHHUSA-N 1 0 336.392 1.601 20 5 EDBDRO COC(=O)CC1([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1 ZINC000411476566 446560736 /nfs/dbraw/zinc/56/07/36/446560736.db2.gz GYZHIQTXHRHMSQ-UHFFFAOYSA-N 1 0 335.360 1.999 20 5 EDBDRO CC[NH+]1CCC(NC(=O)CN[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000411477923 446562683 /nfs/dbraw/zinc/56/26/83/446562683.db2.gz DQBGOWRDOROTLU-ZDUSSCGKSA-N 1 0 334.420 1.846 20 5 EDBDRO CC(C)[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@@H](C)[NH3+] ZINC000423423481 446529177 /nfs/dbraw/zinc/52/91/77/446529177.db2.gz ZVWDMVKXTCVENM-JMSVASOKSA-N 1 0 335.408 1.622 20 5 EDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418461147 446552254 /nfs/dbraw/zinc/55/22/54/446552254.db2.gz KQYCSSQFBGGVKO-CJNGLKHVSA-N 1 0 347.419 1.554 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCN2CCC(O)CC2)n1 ZINC000453351416 446555681 /nfs/dbraw/zinc/55/56/81/446555681.db2.gz GYLNNXKCVOWWGD-HUUCEWRRSA-N 1 0 337.424 1.321 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CCCC[C@H]2CC[NH3+])cc([N+](=O)[O-])c1 ZINC000423629287 446614397 /nfs/dbraw/zinc/61/43/97/446614397.db2.gz BXHWPJZGSQOIJA-ZDUSSCGKSA-N 1 0 335.360 1.725 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000420420216 446595466 /nfs/dbraw/zinc/59/54/66/446595466.db2.gz JNUGGBVKUONJTR-HZSPNIEDSA-N 1 0 339.417 1.136 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CCC[C@H](CC[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423600820 446597682 /nfs/dbraw/zinc/59/76/82/446597682.db2.gz DAYSYIYUIKNFSE-GFCCVEGCSA-N 1 0 349.387 1.973 20 5 EDBDRO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000420424452 446598565 /nfs/dbraw/zinc/59/85/65/446598565.db2.gz NYKAJBHDXKXJPH-STQMWFEESA-N 1 0 327.406 1.327 20 5 EDBDRO C[NH2+]CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420424654 446599762 /nfs/dbraw/zinc/59/97/62/446599762.db2.gz SRNSPLVTONDLIC-UHFFFAOYSA-N 1 0 327.284 1.111 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000420429419 446604317 /nfs/dbraw/zinc/60/43/17/446604317.db2.gz ZRICYXKOPIEUMQ-GXFFZTMASA-N 1 0 341.433 1.960 20 5 EDBDRO C[C@@H]1C[C@@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000420434880 446607889 /nfs/dbraw/zinc/60/78/89/446607889.db2.gz LEURSRYQUQVRCY-YPMHNXCESA-N 1 0 327.406 1.197 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000420468762 446644258 /nfs/dbraw/zinc/64/42/58/446644258.db2.gz YGCCOMJTPZRDAF-BXUZGUMPSA-N 1 0 327.406 1.136 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc([N+](=O)[O-])c1C ZINC000423697989 446646676 /nfs/dbraw/zinc/64/66/76/446646676.db2.gz LZEHAYPSJQGHIM-GFCCVEGCSA-N 1 0 329.303 1.639 20 5 EDBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368181852 446691156 /nfs/dbraw/zinc/69/11/56/446691156.db2.gz WOWIWPJFUYKOAG-QWRGUYRKSA-N 1 0 345.758 1.833 20 5 EDBDRO CC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000411911496 446724960 /nfs/dbraw/zinc/72/49/60/446724960.db2.gz HJHXVUSIWXNOGA-LBPRGKRZSA-N 1 0 334.376 1.361 20 5 EDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418766171 446684029 /nfs/dbraw/zinc/68/40/29/446684029.db2.gz MOMJGIZAZXMKSF-HNNXBMFYSA-N 1 0 336.392 1.503 20 5 EDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411941074 446751674 /nfs/dbraw/zinc/75/16/74/446751674.db2.gz KZARELUGDPOTNM-NWDGAFQWSA-N 1 0 334.376 1.332 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000423950809 446794674 /nfs/dbraw/zinc/79/46/74/446794674.db2.gz OERAVFQUNNJSHD-UHFFFAOYSA-N 1 0 336.377 1.354 20 5 EDBDRO CN(C)C(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411933910 446743920 /nfs/dbraw/zinc/74/39/20/446743920.db2.gz BVLNASUVUGYUGZ-GFCCVEGCSA-N 1 0 334.376 1.334 20 5 EDBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000368373218 446820541 /nfs/dbraw/zinc/82/05/41/446820541.db2.gz FLTUBDBMHGSLEV-HNNXBMFYSA-N 1 0 341.371 1.652 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000371507878 446903209 /nfs/dbraw/zinc/90/32/09/446903209.db2.gz DVZDFKJRCPBFQS-WFASDCNBSA-N 1 0 346.387 1.394 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000412337149 446940826 /nfs/dbraw/zinc/94/08/26/446940826.db2.gz JDHJBZWLFFVLKA-HZMVEIRTSA-N 1 0 345.399 1.630 20 5 EDBDRO CCCN(C(=O)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000419159835 446976669 /nfs/dbraw/zinc/97/66/69/446976669.db2.gz ZTNQDBPVHGTPRS-CHWSQXEVSA-N 1 0 348.403 1.373 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000419162486 446980340 /nfs/dbraw/zinc/98/03/40/446980340.db2.gz KHHNQFZJKVWMEO-JMSVASOKSA-N 1 0 348.403 1.371 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000419276565 447051031 /nfs/dbraw/zinc/05/10/31/447051031.db2.gz TWTULDOYRMLEFH-DGCLKSJQSA-N 1 0 334.376 1.030 20 5 EDBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000419277610 447052500 /nfs/dbraw/zinc/05/25/00/447052500.db2.gz UXTAXRGKIUZWIA-VXGBXAGGSA-N 1 0 336.392 1.195 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425213410 447066331 /nfs/dbraw/zinc/06/63/31/447066331.db2.gz GYZPTBSZPIXRCB-SWLSCSKDSA-N 1 0 339.417 1.451 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421293549 447105834 /nfs/dbraw/zinc/10/58/34/447105834.db2.gz DRKQCXGMLOMXND-CYBMUJFWSA-N 1 0 334.376 1.394 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000421522187 447179540 /nfs/dbraw/zinc/17/95/40/447179540.db2.gz AQJUQRFLQPGRIF-OAHLLOKOSA-N 1 0 348.447 1.967 20 5 EDBDRO O=C(N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C12CCC[NH+]1CCC2 ZINC000377589182 447228424 /nfs/dbraw/zinc/22/84/24/447228424.db2.gz ATWMECHDLMLSBH-UHFFFAOYSA-N 1 0 344.415 1.872 20 5 EDBDRO COc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1F ZINC000421712123 447229547 /nfs/dbraw/zinc/22/95/47/447229547.db2.gz QBWTZZODVULFPL-JTQLQIEISA-N 1 0 325.340 1.909 20 5 EDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3nnnn3CC1)CCC2 ZINC000421879675 447267159 /nfs/dbraw/zinc/26/71/59/447267159.db2.gz PKDGWOBKPCTBOJ-WFASDCNBSA-N 1 0 328.376 1.953 20 5 EDBDRO O=[N+]([O-])c1cc2ccccc2nc1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000372749697 447267542 /nfs/dbraw/zinc/26/75/42/447267542.db2.gz ILNJPZUKJOJGLE-UONOGXRCSA-N 1 0 328.372 2.418 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)N(CCO)C[C@H]1C ZINC000421901487 447271810 /nfs/dbraw/zinc/27/18/10/447271810.db2.gz RYNMNMAVZLHQKF-ZIAGYGMSSA-N 1 0 335.404 1.739 20 5 EDBDRO O=[N+]([O-])c1cc2c(ncnc2NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000450792058 447577260 /nfs/dbraw/zinc/57/72/60/447577260.db2.gz NFHMUTUYZLCDPV-AOOOYVTPSA-N 1 0 335.389 1.875 20 5 EDBDRO C[NH+](C)CC(C)(C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000457207782 447541914 /nfs/dbraw/zinc/54/19/14/447541914.db2.gz NMGXDVQOWJOPGC-UHFFFAOYSA-N 1 0 331.376 1.851 20 5 EDBDRO COC(=O)CC1([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000459389934 447649250 /nfs/dbraw/zinc/64/92/50/447649250.db2.gz OGGHIMMCMQEIGP-GFCCVEGCSA-N 1 0 338.360 1.410 20 5 EDBDRO C[NH2+]C[C@H]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420190234 447663080 /nfs/dbraw/zinc/66/30/80/447663080.db2.gz PEOCAWULZJYSJH-OAHLLOKOSA-N 1 0 334.420 1.473 20 5 EDBDRO C[C@H](C[NH3+])CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000420211897 447671434 /nfs/dbraw/zinc/67/14/34/447671434.db2.gz FXNXVJGZAKYUIT-SECBINFHSA-N 1 0 337.767 1.801 20 5 EDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000420223208 447677449 /nfs/dbraw/zinc/67/74/49/447677449.db2.gz ZPKPIVSHZBPBPN-HIFRSBDPSA-N 1 0 334.420 1.601 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)c([N+](=O)[O-])c1 ZINC000459686914 447740060 /nfs/dbraw/zinc/74/00/60/447740060.db2.gz VPJKNCKUJDFQOE-UKRRQHHQSA-N 1 0 331.372 1.695 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000490505908 447893952 /nfs/dbraw/zinc/89/39/52/447893952.db2.gz SJCQIJLRCNFRQS-HNNXBMFYSA-N 1 0 339.417 1.620 20 5 EDBDRO CNc1nccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000569865997 447907851 /nfs/dbraw/zinc/90/78/51/447907851.db2.gz YWOUYXUPUCICKZ-YRGRVCCFSA-N 1 0 347.419 1.834 20 5 EDBDRO CNc1nccc(C(=O)N(CC[NH+](C)C)c2ccccc2)c1[N+](=O)[O-] ZINC000570173286 447958984 /nfs/dbraw/zinc/95/89/84/447958984.db2.gz FGVKXJBHHUBWRO-UHFFFAOYSA-N 1 0 343.387 2.240 20 5 EDBDRO C[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC000575975227 447940415 /nfs/dbraw/zinc/94/04/15/447940415.db2.gz FCLAXQWNZKBZAA-CABCVRRESA-N 1 0 348.447 1.698 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000570279094 447976841 /nfs/dbraw/zinc/97/68/41/447976841.db2.gz FHVJBIWZMJQKOO-GFCCVEGCSA-N 1 0 329.422 1.809 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000525211457 447978220 /nfs/dbraw/zinc/97/82/20/447978220.db2.gz GFMBEKPOZNTSSV-LLVKDONJSA-N 1 0 335.360 1.737 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491290698 447983532 /nfs/dbraw/zinc/98/35/32/447983532.db2.gz HFOIFCVPPYKKSD-ALCCZGGFSA-N 1 0 339.367 1.832 20 5 EDBDRO CNc1nccc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000553327691 447986246 /nfs/dbraw/zinc/98/62/46/447986246.db2.gz LCSVCPYFCCCUDU-BETUJISGSA-N 1 0 349.435 2.129 20 5 EDBDRO C[C@@H](C(=O)N1CCN(CC[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000576332871 448029206 /nfs/dbraw/zinc/02/92/06/448029206.db2.gz NALFDBMYHIAZGK-CQSZACIVSA-N 1 0 334.420 1.404 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCCS2)cc1 ZINC000570675388 448046377 /nfs/dbraw/zinc/04/63/77/448046377.db2.gz JHRKQZCDSYJLSX-LBPRGKRZSA-N 1 0 330.431 1.854 20 5 EDBDRO C[N@@H+]1CCCC[C@H]1CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000531613967 448114853 /nfs/dbraw/zinc/11/48/53/448114853.db2.gz QPJIKPKHBJSQTR-HNNXBMFYSA-N 1 0 333.436 1.986 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000514590493 448166455 /nfs/dbraw/zinc/16/64/55/448166455.db2.gz VGPKHMLYCQHJLZ-OKILXGFUSA-N 1 0 348.403 1.615 20 5 EDBDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000531888013 448167469 /nfs/dbraw/zinc/16/74/69/448167469.db2.gz AIWVMCCQQLPARJ-CQSZACIVSA-N 1 0 326.356 1.994 20 5 EDBDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)CC1 ZINC000532343077 448240880 /nfs/dbraw/zinc/24/08/80/448240880.db2.gz RTBSBDSSUMESGC-CYBMUJFWSA-N 1 0 335.408 1.163 20 5 EDBDRO CNc1nccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000563396966 448299487 /nfs/dbraw/zinc/29/94/87/448299487.db2.gz IJLVZKKWFGMYET-MRXNPFEDSA-N 1 0 333.392 1.589 20 5 EDBDRO O=C(CN1CC[C@H]2CC[NH2+][C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000591449598 448367886 /nfs/dbraw/zinc/36/78/86/448367886.db2.gz XYVIPIJMFUZQLQ-DOMZBBRYSA-N 1 0 330.388 1.168 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000591346329 448333406 /nfs/dbraw/zinc/33/34/06/448333406.db2.gz FEJISZNUSOIROR-STQMWFEESA-N 1 0 334.376 1.497 20 5 EDBDRO Cc1ccc(C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1[N+](=O)[O-] ZINC000591587372 448396456 /nfs/dbraw/zinc/39/64/56/448396456.db2.gz VWARTAMOOGRAFP-ZBFHGGJFSA-N 1 0 345.399 1.744 20 5 EDBDRO CNc1ccc(C(=O)NCCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000516834674 448477843 /nfs/dbraw/zinc/47/78/43/448477843.db2.gz HOWYKMWYJWLADF-UHFFFAOYSA-N 1 0 335.408 1.004 20 5 EDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000573007649 448522251 /nfs/dbraw/zinc/52/22/51/448522251.db2.gz HOLKZVBZPQZMAR-ICDLMJIXSA-N 1 0 339.417 1.622 20 5 EDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000517029871 448527821 /nfs/dbraw/zinc/52/78/21/448527821.db2.gz HERAXKFKCJSYAR-HNNXBMFYSA-N 1 0 339.417 1.500 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000566745333 448550511 /nfs/dbraw/zinc/55/05/11/448550511.db2.gz QWHRIEBRMRNLMS-NWDGAFQWSA-N 1 0 327.406 1.712 20 5 EDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000517741895 448613055 /nfs/dbraw/zinc/61/30/55/448613055.db2.gz IGFHCKYZGMTJNT-HTQZYQBOSA-N 1 0 328.756 1.429 20 5 EDBDRO COC(=O)[C@@H]1C[C@@H](O)CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000592002585 448619148 /nfs/dbraw/zinc/61/91/48/448619148.db2.gz NZWKYCHHKXKMSK-DGCLKSJQSA-N 1 0 345.355 1.812 20 5 EDBDRO C[C@H]1CC[N@H+](CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000573539255 448650214 /nfs/dbraw/zinc/65/02/14/448650214.db2.gz LAKCCECYTOEMAA-JTQLQIEISA-N 1 0 327.331 1.874 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000579006133 448694089 /nfs/dbraw/zinc/69/40/89/448694089.db2.gz LRBNEGZSKWOCKT-LBPRGKRZSA-N 1 0 327.406 1.584 20 5 EDBDRO COc1cc(C(=O)N[C@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000567501343 448704706 /nfs/dbraw/zinc/70/47/06/448704706.db2.gz OCVFOUVOFSIFTJ-NKWVEPMBSA-N 1 0 333.291 1.670 20 5 EDBDRO CC(C)[C@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000592246433 448761605 /nfs/dbraw/zinc/76/16/05/448761605.db2.gz NYVAMFBUYILQNB-OAHLLOKOSA-N 1 0 348.403 1.171 20 5 EDBDRO CCOc1cc(C(=O)N[C@](C)(C[NH3+])C2CC2)c([N+](=O)[O-])cc1OC ZINC000518962883 448725037 /nfs/dbraw/zinc/72/50/37/448725037.db2.gz OILANXAYLSSIAI-MRXNPFEDSA-N 1 0 337.376 1.859 20 5 EDBDRO O=C1[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]2CCCCN12 ZINC000573835426 448726988 /nfs/dbraw/zinc/72/69/88/448726988.db2.gz OPYXIQREPBTPIE-XNRPHZJLSA-N 1 0 349.387 1.078 20 5 EDBDRO CC(C)[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1 ZINC000585703243 448742877 /nfs/dbraw/zinc/74/28/77/448742877.db2.gz WYTZGOYQADFGTF-UHFFFAOYSA-N 1 0 333.392 1.316 20 5 EDBDRO CC(C)CC[C@H](O)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000567710317 448744170 /nfs/dbraw/zinc/74/41/70/448744170.db2.gz IXHMOHFFJNQICH-AWEZNQCLSA-N 1 0 344.433 1.755 20 5 EDBDRO CCc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000567769410 448756374 /nfs/dbraw/zinc/75/63/74/448756374.db2.gz BPXAGJDPAUEPQZ-LBPRGKRZSA-N 1 0 341.433 1.777 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592356635 448803648 /nfs/dbraw/zinc/80/36/48/448803648.db2.gz BQYCMKPSTZAWRO-VHSXEESVSA-N 1 0 347.331 1.973 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000574168709 448808114 /nfs/dbraw/zinc/80/81/14/448808114.db2.gz BRUJKSQICVKKLK-BDAKNGLRSA-N 1 0 347.368 1.243 20 5 EDBDRO O=C1NC(=O)C2(CCC([NH2+]C/C=C\c3ccccc3[N+](=O)[O-])CC2)N1 ZINC000586783707 448811687 /nfs/dbraw/zinc/81/16/87/448811687.db2.gz QVXTWWDGBVUERW-HYXAFXHYSA-N 1 0 344.371 1.718 20 5 EDBDRO CC[C@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592331342 448794204 /nfs/dbraw/zinc/79/42/04/448794204.db2.gz IPQKWDSGQPLMFJ-JSGCOSHPSA-N 1 0 343.387 1.980 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccccc1CO ZINC000519715366 448826684 /nfs/dbraw/zinc/82/66/84/448826684.db2.gz WLNHQRFTHKDWRP-OAHLLOKOSA-N 1 0 332.356 1.617 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000592428475 448831454 /nfs/dbraw/zinc/83/14/54/448831454.db2.gz QHRRKEITSVHTOS-NXEZZACHSA-N 1 0 338.364 1.174 20 5 EDBDRO CC[C@H](C)C[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592430654 448832947 /nfs/dbraw/zinc/83/29/47/448832947.db2.gz YNSARAVSRUECIF-QWHCGFSZSA-N 1 0 344.433 1.755 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC2(CCO)CC2)cc1 ZINC000592432845 448833772 /nfs/dbraw/zinc/83/37/72/448833772.db2.gz YSKGBRGATXEJHA-UHFFFAOYSA-N 1 0 328.390 1.121 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592476979 448853257 /nfs/dbraw/zinc/85/32/57/448853257.db2.gz KVWRHRWAGDLCCQ-MFKMUULPSA-N 1 0 325.390 1.262 20 5 EDBDRO [NH3+]C[C@H]1CCCn2ncc(C(=O)NCc3cccc([N+](=O)[O-])c3)c21 ZINC000592483845 448856200 /nfs/dbraw/zinc/85/62/00/448856200.db2.gz DXPPTLGTAOZLSV-GFCCVEGCSA-N 1 0 329.360 1.557 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569103797 448962124 /nfs/dbraw/zinc/96/21/24/448962124.db2.gz VAXCABVFCCZFIY-HNNXBMFYSA-N 1 0 339.417 1.667 20 5 EDBDRO C[NH+](C)CCCC1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000548059476 448978060 /nfs/dbraw/zinc/97/80/60/448978060.db2.gz VDTKVNTYFUFEDY-UHFFFAOYSA-N 1 0 335.408 1.766 20 5 EDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000521445184 448987859 /nfs/dbraw/zinc/98/78/59/448987859.db2.gz CSPRSKRVMDOWMK-TZMCWYRMSA-N 1 0 341.433 1.539 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000590010815 449096911 /nfs/dbraw/zinc/09/69/11/449096911.db2.gz YSEBFBYXHCCMIL-WFASDCNBSA-N 1 0 346.387 1.529 20 5 EDBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593596040 449096951 /nfs/dbraw/zinc/09/69/51/449096951.db2.gz MDXHHWUYDPIUCY-NSHDSACASA-N 1 0 330.410 1.389 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599890338 449101322 /nfs/dbraw/zinc/10/13/22/449101322.db2.gz GKVFQPADJBFLCG-ZDUSSCGKSA-N 1 0 346.387 1.551 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000599935382 449114966 /nfs/dbraw/zinc/11/49/66/449114966.db2.gz QBMSMFSMXGPTDL-LSDHHAIUSA-N 1 0 334.376 1.508 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593104170 449137080 /nfs/dbraw/zinc/13/70/80/449137080.db2.gz WXJZXECSEHLTGK-XCMOZONUSA-N 1 0 337.401 1.437 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593716575 449158905 /nfs/dbraw/zinc/15/89/05/449158905.db2.gz SCPQVFXVJCADRQ-UHFFFAOYSA-N 1 0 340.399 1.276 20 5 EDBDRO CC[N@@H+]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C ZINC000611092339 449166573 /nfs/dbraw/zinc/16/65/73/449166573.db2.gz QLVJCPBZBKPYII-CYBMUJFWSA-N 1 0 348.403 1.919 20 5 EDBDRO C[C@@H]1C[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H](C)C1O ZINC000595744206 449143290 /nfs/dbraw/zinc/14/32/90/449143290.db2.gz VVBUHSHCTAZUIP-JMSVASOKSA-N 1 0 333.388 1.649 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000597925738 449144618 /nfs/dbraw/zinc/14/46/18/449144618.db2.gz QOEFELKHWSYAGC-CYBMUJFWSA-N 1 0 348.403 1.314 20 5 EDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590402607 449149940 /nfs/dbraw/zinc/14/99/40/449149940.db2.gz BAKKMSLOVKABRJ-PWSUYJOCSA-N 1 0 335.360 1.531 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000590589021 449205569 /nfs/dbraw/zinc/20/55/69/449205569.db2.gz LACINPXXVFORTN-YPMHNXCESA-N 1 0 327.406 1.616 20 5 EDBDRO Cc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)cc([N+](=O)[O-])c1 ZINC000590564531 449193734 /nfs/dbraw/zinc/19/37/34/449193734.db2.gz FSGZASAFELFQOX-HZPDHXFCSA-N 1 0 333.388 1.838 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000611236573 449231135 /nfs/dbraw/zinc/23/11/35/449231135.db2.gz FIDAWUVGRHJAAW-CQSZACIVSA-N 1 0 343.387 1.675 20 5 EDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)[C@H](C[NH3+])C(F)(F)F ZINC000595907383 449245859 /nfs/dbraw/zinc/24/58/59/449245859.db2.gz JTKXLCBMWVLIKM-LDYMZIIASA-N 1 0 334.298 1.743 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC3CC2(C[NH3+])C3)c([N+](=O)[O-])c1 ZINC000595909213 449247552 /nfs/dbraw/zinc/24/75/52/449247552.db2.gz KQRHOEHPUMARHI-UHFFFAOYSA-N 1 0 334.376 1.355 20 5 EDBDRO CC1(C)CC[NH2+][C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000595943371 449270880 /nfs/dbraw/zinc/27/08/80/449270880.db2.gz NWVWHRCEVKUHTQ-HNNXBMFYSA-N 1 0 332.404 1.632 20 5 EDBDRO Cn1c(C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1[N+](=O)[O-] ZINC000593912812 449281586 /nfs/dbraw/zinc/28/15/86/449281586.db2.gz QUPOVUKWPDZWLJ-OUCADQQQSA-N 1 0 336.392 1.292 20 5 EDBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593551249 449341401 /nfs/dbraw/zinc/34/14/01/449341401.db2.gz AYGQQMLLNRYCDI-GFCCVEGCSA-N 1 0 328.394 1.095 20 5 EDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000602112492 449355093 /nfs/dbraw/zinc/35/50/93/449355093.db2.gz QTUQFFNHZNGGHS-DLBZAZTESA-N 1 0 347.415 1.897 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000598343369 449358175 /nfs/dbraw/zinc/35/81/75/449358175.db2.gz WHFUPGLHQQTQMR-CQSZACIVSA-N 1 0 348.403 1.315 20 5 EDBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596109764 449365836 /nfs/dbraw/zinc/36/58/36/449365836.db2.gz INLJVWOFLMNOCB-GFCCVEGCSA-N 1 0 337.380 1.050 20 5 EDBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1(C)C ZINC000602174817 449405920 /nfs/dbraw/zinc/40/59/20/449405920.db2.gz VCFWPLBVDGBKQL-KBPBESRZSA-N 1 0 335.360 1.782 20 5 EDBDRO COC(=O)[C@@](C)(NC(=O)C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000600539904 449431216 /nfs/dbraw/zinc/43/12/16/449431216.db2.gz CYNWMUSRBPZKNX-KRWDZBQOSA-N 1 0 349.387 1.441 20 5 EDBDRO Cc1c(CNC(=O)C(C)(C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000602146652 449382827 /nfs/dbraw/zinc/38/28/27/449382827.db2.gz AEIUFTCNFCJXLQ-UHFFFAOYSA-N 1 0 335.404 1.878 20 5 EDBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000594322025 449447935 /nfs/dbraw/zinc/44/79/35/449447935.db2.gz KAKGSOLOAZXZHA-OAHLLOKOSA-N 1 0 343.387 1.430 20 5 EDBDRO COC(=O)c1ccnc(N2CC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598597280 449483664 /nfs/dbraw/zinc/48/36/64/449483664.db2.gz YZMKMMKBPJCNPQ-LBPRGKRZSA-N 1 0 334.376 1.841 20 5 EDBDRO C[C@H](CO)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000614185965 449494526 /nfs/dbraw/zinc/49/45/26/449494526.db2.gz YHDPUODKPGOAEF-LBPRGKRZSA-N 1 0 333.392 1.612 20 5 EDBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000596541518 449546873 /nfs/dbraw/zinc/54/68/73/449546873.db2.gz YQPWHMAAXZENBY-LLVKDONJSA-N 1 0 326.784 1.679 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[NH2+][C@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598618123 449496375 /nfs/dbraw/zinc/49/63/75/449496375.db2.gz LRYHTWYPYPZRIS-ZDUSSCGKSA-N 1 0 341.433 1.830 20 5 EDBDRO COC(=O)c1cc(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)cc([N+](=O)[O-])c1 ZINC000594425945 449509830 /nfs/dbraw/zinc/50/98/30/449509830.db2.gz BQPCAVCMOBVZQQ-CJNGLKHVSA-N 1 0 333.344 1.710 20 5 EDBDRO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000594438830 449518378 /nfs/dbraw/zinc/51/83/78/449518378.db2.gz MDHYYHAANSCJBW-JDFRZJQESA-N 1 0 345.403 1.392 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NCC2([NH2+]C)CCC2)cc([N+](=O)[O-])c1 ZINC000600825882 449565958 /nfs/dbraw/zinc/56/59/58/449565958.db2.gz VHAGYHPPDVBOGX-UHFFFAOYSA-N 1 0 335.360 1.643 20 5 EDBDRO CO[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@](C)(C[NH3+])C1 ZINC000600885754 449585666 /nfs/dbraw/zinc/58/56/66/449585666.db2.gz NBNXFSDIOQDSNJ-TZMCWYRMSA-N 1 0 327.768 1.827 20 5 EDBDRO CO[C@](C)(CO)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000594510170 449558408 /nfs/dbraw/zinc/55/84/08/449558408.db2.gz HYAJXPQBFQXGFS-NHYWBVRUSA-N 1 0 325.365 1.299 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c1C ZINC000598720611 449562098 /nfs/dbraw/zinc/56/20/98/449562098.db2.gz PXAUJCHOQISDAB-IUODEOHRSA-N 1 0 339.417 1.714 20 5 EDBDRO CN(C)C(=O)CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602532325 449656150 /nfs/dbraw/zinc/65/61/50/449656150.db2.gz LPWXAHGRHVJLJB-UHFFFAOYSA-N 1 0 336.211 1.987 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCc4n[nH]cc4C3)CC2)cn1 ZINC000602551388 449669397 /nfs/dbraw/zinc/66/93/97/449669397.db2.gz JIONZYVCCUNFOW-AWEZNQCLSA-N 1 0 342.403 1.829 20 5 EDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000602558540 449673805 /nfs/dbraw/zinc/67/38/05/449673805.db2.gz RUUKUQJFEPVOFT-WDEREUQCSA-N 1 0 325.390 1.180 20 5 EDBDRO COC[C@@](C)(O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602561441 449676061 /nfs/dbraw/zinc/67/60/61/449676061.db2.gz FVGUFMFCPUJNAG-JTQLQIEISA-N 1 0 339.211 1.906 20 5 EDBDRO CC[NH+](CC)CCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598893617 449633284 /nfs/dbraw/zinc/63/32/84/449633284.db2.gz APNADFOJVYTZNL-UHFFFAOYSA-N 1 0 337.380 1.174 20 5 EDBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000598894685 449634005 /nfs/dbraw/zinc/63/40/05/449634005.db2.gz RJMWYXXBNBYSEU-LBPRGKRZSA-N 1 0 347.375 1.069 20 5 EDBDRO C[C@@H](Cn1ccnc1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602511388 449640937 /nfs/dbraw/zinc/64/09/37/449640937.db2.gz RCYMXXAVNLFVDK-ZDUSSCGKSA-N 1 0 330.392 1.833 20 5 EDBDRO C[C@@H](CN1CCCC1=O)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602517308 449643430 /nfs/dbraw/zinc/64/34/30/449643430.db2.gz GCIBKDJORSIINK-ZDUSSCGKSA-N 1 0 347.419 1.559 20 5 EDBDRO C[C@](O)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(F)(F)F ZINC000602579094 449684619 /nfs/dbraw/zinc/68/46/19/449684619.db2.gz ZNNQEDRLYNKZTK-ZDUSSCGKSA-N 1 0 348.325 1.862 20 5 EDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000602598046 449696267 /nfs/dbraw/zinc/69/62/67/449696267.db2.gz YHHAANXFTFSGEY-XVKPBYJWSA-N 1 0 328.166 1.919 20 5 EDBDRO C[NH2+]CCOCCN(C)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000599105944 449738350 /nfs/dbraw/zinc/73/83/50/449738350.db2.gz HDZYKIBDRWKCOD-UHFFFAOYSA-N 1 0 345.421 1.068 20 5 EDBDRO CN1CC[C@@H]([NH+]2CCC(Nc3ncc(F)cc3[N+](=O)[O-])CC2)C1=O ZINC000601178435 449735315 /nfs/dbraw/zinc/73/53/15/449735315.db2.gz PXPMNRQFIDGXQP-GFCCVEGCSA-N 1 0 337.355 1.236 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000599103896 449735705 /nfs/dbraw/zinc/73/57/05/449735705.db2.gz UWWHIDVMVVTNCP-WDEREUQCSA-N 1 0 329.378 1.022 20 5 EDBDRO C[NH+](C)C[C@]1(O)CCCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000601189238 449741115 /nfs/dbraw/zinc/74/11/15/449741115.db2.gz PDTHSZWJVGDJTQ-MRXNPFEDSA-N 1 0 331.376 1.431 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCOCC[NH2+]C ZINC000599108198 449741449 /nfs/dbraw/zinc/74/14/49/449741449.db2.gz SEAFCPIFHQZKEN-UHFFFAOYSA-N 1 0 345.421 1.014 20 5 EDBDRO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)C[N@@H+]1CCO ZINC000602695802 449754511 /nfs/dbraw/zinc/75/45/11/449754511.db2.gz OELKQCGNJIAQLE-NEPJUHHUSA-N 1 0 334.376 1.623 20 5 EDBDRO C[C@]12C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@]1(C)C(=O)NC2=O ZINC000602724389 449768803 /nfs/dbraw/zinc/76/88/03/449768803.db2.gz KWCPPSNVNLCFIQ-GASCZTMLSA-N 1 0 337.763 1.733 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000601305021 449815023 /nfs/dbraw/zinc/81/50/23/449815023.db2.gz QUMATSIGULLBCW-LLVKDONJSA-N 1 0 345.396 1.805 20 5 EDBDRO O=C(CN[C@]12CCC[C@@H]1C[NH2+]C2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000601332815 449841560 /nfs/dbraw/zinc/84/15/60/449841560.db2.gz NZZQBUDBRQFWHI-BMIGLBTASA-N 1 0 338.795 1.918 20 5 EDBDRO C[C@H]1OCC[C@@H]1C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000602832564 449843500 /nfs/dbraw/zinc/84/35/00/449843500.db2.gz PZAGANAPQALYCW-ZIAGYGMSSA-N 1 0 333.388 1.778 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000601281681 449795815 /nfs/dbraw/zinc/79/58/15/449795815.db2.gz SPAIJXFITRBGLE-UHFFFAOYSA-N 1 0 333.435 1.679 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c(C)cc1[N+](=O)[O-] ZINC000595108623 449873266 /nfs/dbraw/zinc/87/32/66/449873266.db2.gz MXEZKXPVMSOBOD-NWDGAFQWSA-N 1 0 327.406 1.760 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000595109396 449874376 /nfs/dbraw/zinc/87/43/76/449874376.db2.gz FCGOXAVFJWWNLL-RYUDHWBXSA-N 1 0 340.405 1.000 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000595195133 449937280 /nfs/dbraw/zinc/93/72/80/449937280.db2.gz ZSYCXUSGGUDANH-ZDUSSCGKSA-N 1 0 348.403 1.751 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000601421920 449940037 /nfs/dbraw/zinc/94/00/37/449940037.db2.gz NAOGWBIYSPPDJZ-CHWSQXEVSA-N 1 0 341.433 1.925 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000601424035 449943763 /nfs/dbraw/zinc/94/37/63/449943763.db2.gz VEPDAGBLNKEZKT-UHFFFAOYSA-N 1 0 347.824 1.739 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3cccc(F)c3)[C@H]([NH3+])C2)n1 ZINC000595226590 449958970 /nfs/dbraw/zinc/95/89/70/449958970.db2.gz VCXWVRDDMJOGDE-CHWSQXEVSA-N 1 0 347.350 1.424 20 5 EDBDRO [NH3+]C1(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC2(CCC2)C1 ZINC000595254510 449978729 /nfs/dbraw/zinc/97/87/29/449978729.db2.gz YIXXKOYHGQCQKY-UHFFFAOYSA-N 1 0 345.403 1.300 20 5 EDBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000609383093 450021391 /nfs/dbraw/zinc/02/13/91/450021391.db2.gz IZHADUMESUHTQO-LBPRGKRZSA-N 1 0 347.371 1.580 20 5 EDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609399577 450023899 /nfs/dbraw/zinc/02/38/99/450023899.db2.gz ICQSEIXOQWWGHZ-OAHLLOKOSA-N 1 0 347.419 1.790 20 5 EDBDRO C[N@@H+]1CCC[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000609548639 450048299 /nfs/dbraw/zinc/04/82/99/450048299.db2.gz RHXHVQFLZQXFSD-JTQLQIEISA-N 1 0 330.344 1.673 20 5 EDBDRO O=C(NC[C@H]1COCC[NH2+]1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000599595063 450091133 /nfs/dbraw/zinc/09/11/33/450091133.db2.gz HHJPONUWTDKGMW-QMMMGPOBSA-N 1 0 346.290 1.306 20 5 EDBDRO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1nccn1C ZINC000595384591 450098821 /nfs/dbraw/zinc/09/88/21/450098821.db2.gz YNYOPNYVSGNOOW-QMMMGPOBSA-N 1 0 328.325 1.507 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000609886527 450112106 /nfs/dbraw/zinc/11/21/06/450112106.db2.gz XPEBGNCYXOPWSM-GFCCVEGCSA-N 1 0 336.392 1.164 20 5 EDBDRO CC(C)[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000595411366 450123299 /nfs/dbraw/zinc/12/32/99/450123299.db2.gz HUBRGAPGEGOILR-NSHDSACASA-N 1 0 331.369 1.352 20 5 EDBDRO O=C1[C@@H]([N@@H+]2CCC[C@@H](CCO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000610213903 450153998 /nfs/dbraw/zinc/15/39/98/450153998.db2.gz ZBKLTTGSXJVCCF-BBRMVZONSA-N 1 0 333.388 1.795 20 5 EDBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000618342092 450164228 /nfs/dbraw/zinc/16/42/28/450164228.db2.gz UQYPQFSVNZPNOK-UHFFFAOYSA-N 1 0 329.316 1.053 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000610278425 450179246 /nfs/dbraw/zinc/17/92/46/450179246.db2.gz FHYVMXGZCUAZKQ-AWEZNQCLSA-N 1 0 334.420 1.820 20 5 EDBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000595505824 450192994 /nfs/dbraw/zinc/19/29/94/450192994.db2.gz ZCWSWESBCYZBMK-CRAIPNDOSA-N 1 0 349.431 1.752 20 5 EDBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599834700 450240666 /nfs/dbraw/zinc/24/06/66/450240666.db2.gz NBLROHCFZXCQJX-NSHDSACASA-N 1 0 345.359 1.331 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000610782610 450334610 /nfs/dbraw/zinc/33/46/10/450334610.db2.gz QHEFQKOQQRGZMZ-ZDUSSCGKSA-N 1 0 332.360 1.872 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000619475638 450484418 /nfs/dbraw/zinc/48/44/18/450484418.db2.gz WMBBZERIBKRGEP-CQSZACIVSA-N 1 0 337.424 1.811 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1=CC[N@H+](C)CC1 ZINC000619495552 450491924 /nfs/dbraw/zinc/49/19/24/450491924.db2.gz ZEIPKVKSWRHNET-UHFFFAOYSA-N 1 0 341.389 1.144 20 5 EDBDRO COc1ccc(CN2CCC([N@H+](C)CCCO)CC2)cc1[N+](=O)[O-] ZINC000115547894 486876192 /nfs/dbraw/zinc/87/61/92/486876192.db2.gz OVOWVWLMGKCNQR-UHFFFAOYSA-N 1 0 337.420 1.882 20 5 EDBDRO COC(=O)c1cn(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000183725623 534301783 /nfs/dbraw/zinc/30/17/83/534301783.db2.gz SRKOIQMWNHOTDV-UHFFFAOYSA-N 1 0 345.359 1.810 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2C[C@@H]2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000360001311 518187923 /nfs/dbraw/zinc/18/79/23/518187923.db2.gz OPCUUVGXSAJKOX-ZIAGYGMSSA-N 1 0 339.417 1.570 20 5 EDBDRO O=C(Nc1ccncc1[N+](=O)[O-])NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000183568658 534424838 /nfs/dbraw/zinc/42/48/38/534424838.db2.gz ZKVIZXAPGPQCHK-LBPRGKRZSA-N 1 0 349.391 1.612 20 5 EDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000177378571 534709189 /nfs/dbraw/zinc/70/91/89/534709189.db2.gz CCSWRIFCOHKRGH-GFCCVEGCSA-N 1 0 337.351 1.528 20 5 EDBDRO COc1cc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000261707538 536499014 /nfs/dbraw/zinc/49/90/14/536499014.db2.gz PISWUTBJCKJEGC-WDEREUQCSA-N 1 0 337.376 1.730 20 5 EDBDRO CC(C)(C)CC[NH+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174747448 527664747 /nfs/dbraw/zinc/66/47/47/527664747.db2.gz SUTQJWDVPASEQJ-HNNXBMFYSA-N 1 0 339.440 1.206 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000174020530 527821517 /nfs/dbraw/zinc/82/15/17/527821517.db2.gz KXAMYAKMNOMWLJ-JTQLQIEISA-N 1 0 333.435 1.619 20 5 EDBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000173947873 527852347 /nfs/dbraw/zinc/85/23/47/527852347.db2.gz PVZUDRMODFVXQL-CYBMUJFWSA-N 1 0 341.433 1.947 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2C[C@H]3CC[C@H]([NH3+])[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000186900139 528143818 /nfs/dbraw/zinc/14/38/18/528143818.db2.gz JNHAOKVWNIGMPA-KMUNFCNLSA-N 1 0 347.371 1.581 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000186900120 528144060 /nfs/dbraw/zinc/14/40/60/528144060.db2.gz JNHAOKVWNIGMPA-VQISRLSMSA-N 1 0 347.371 1.581 20 5 EDBDRO CC[NH+](CC)[C@@H](C)CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000181389904 528235175 /nfs/dbraw/zinc/23/51/75/528235175.db2.gz CHPWYGJKRJDGMI-JTQLQIEISA-N 1 0 330.410 1.384 20 5 EDBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000173988309 528259939 /nfs/dbraw/zinc/25/99/39/528259939.db2.gz GETQFEJMVSEBKB-CYBMUJFWSA-N 1 0 327.406 1.700 20 5 EDBDRO CCNC(=O)[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000339325225 535408138 /nfs/dbraw/zinc/40/81/38/535408138.db2.gz GCFWAXZLUVLHQZ-UKRRQHHQSA-N 1 0 339.392 1.085 20 5 EDBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000344190224 535589426 /nfs/dbraw/zinc/58/94/26/535589426.db2.gz PVEQXWLGEWXZTB-LBPRGKRZSA-N 1 0 346.391 1.636 20 5 EDBDRO CC[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC[N@@H+]1C[C@H](C)O ZINC000245914345 536113657 /nfs/dbraw/zinc/11/36/57/536113657.db2.gz FCRIFXPYTLUNED-BBRMVZONSA-N 1 0 349.431 1.749 20 5 EDBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)CC1 ZINC000270044518 536345882 /nfs/dbraw/zinc/34/58/82/536345882.db2.gz BDCZEAULNZTLLK-AWEZNQCLSA-N 1 0 332.404 1.981 20 5 EDBDRO C[NH2+][C@@H](C)Cc1noc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000261712281 536347357 /nfs/dbraw/zinc/34/73/57/536347357.db2.gz IZBNHIJLKHAELW-JTQLQIEISA-N 1 0 328.332 1.981 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCNc1cc[nH+]cc1 ZINC000346349745 536887146 /nfs/dbraw/zinc/88/71/46/536887146.db2.gz LMQNCUFDANWCAH-UHFFFAOYSA-N 1 0 331.332 1.654 20 5 EDBDRO CCN(C[C@H]1CCOC1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000738076184 578523350 /nfs/dbraw/zinc/52/33/50/578523350.db2.gz MKCCUCCWQKRITI-LLVKDONJSA-N 1 0 333.344 1.507 20 5 EDBDRO CN1CCC([N@@H+]2CC[C@@H](Nc3nc4ccccn4c3[N+](=O)[O-])C2)CC1 ZINC000732805739 578730716 /nfs/dbraw/zinc/73/07/16/578730716.db2.gz YFCKLLKWGTUVCZ-CYBMUJFWSA-N 1 0 344.419 1.823 20 5 EDBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000733159418 578746073 /nfs/dbraw/zinc/74/60/73/578746073.db2.gz QXTLETDGNINDIP-INIZCTEOSA-N 1 0 333.388 1.968 20 5 EDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000735586481 578902121 /nfs/dbraw/zinc/90/21/21/578902121.db2.gz CFFRSNSUJBQGEF-CYBMUJFWSA-N 1 0 348.403 1.690 20 5 EDBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736290797 578974139 /nfs/dbraw/zinc/97/41/39/578974139.db2.gz CBOCINHGRYLSDP-JQWIXIFHSA-N 1 0 329.364 1.448 20 5 EDBDRO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000747216123 579633798 /nfs/dbraw/zinc/63/37/98/579633798.db2.gz JTEVISXHGZSLJI-UKRRQHHQSA-N 1 0 339.367 1.778 20 5 EDBDRO C[NH+](C)CCNC(=S)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000777924328 580452988 /nfs/dbraw/zinc/45/29/88/580452988.db2.gz VWOCHHBJCRHNCT-UHFFFAOYSA-N 1 0 330.841 1.816 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C1CC1 ZINC000778244552 580459809 /nfs/dbraw/zinc/45/98/09/580459809.db2.gz DXQCTCYZVOZQTJ-GFCCVEGCSA-N 1 0 335.389 1.670 20 5 EDBDRO O=C(C[NH2+][C@H](CCO)C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000763067636 580091857 /nfs/dbraw/zinc/09/18/57/580091857.db2.gz PMTPVEZBALSDOK-GFCCVEGCSA-N 1 0 327.768 1.937 20 5 EDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000765922141 580153702 /nfs/dbraw/zinc/15/37/02/580153702.db2.gz AHXXUJPBWXZKSO-STQMWFEESA-N 1 0 349.387 1.727 20 5 EDBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000771378682 580285429 /nfs/dbraw/zinc/28/54/29/580285429.db2.gz GZUJNVCJZLXFSE-GHMZBOCLSA-N 1 0 337.380 1.034 20 5 EDBDRO CC[NH+](CC)CCOC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000772106546 580303369 /nfs/dbraw/zinc/30/33/69/580303369.db2.gz BGDCXXQVYGZPDO-UHFFFAOYSA-N 1 0 333.348 1.674 20 5 EDBDRO O=C(C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1)N1CCCC1 ZINC000776576011 580421754 /nfs/dbraw/zinc/42/17/54/580421754.db2.gz ZKKWMIPPXAGEOZ-KRWDZBQOSA-N 1 0 347.415 1.963 20 5 EDBDRO C[C@@]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)(C(N)=O)c1ccccc1 ZINC000776586702 580422521 /nfs/dbraw/zinc/42/25/21/580422521.db2.gz HBGDCTQMOWRWFD-RDJZCZTQSA-N 1 0 329.356 1.619 20 5 EDBDRO C[NH+]1CCC2(CCN2C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000779211401 580481056 /nfs/dbraw/zinc/48/10/56/580481056.db2.gz FTVDXJXEADRKQX-UHFFFAOYSA-N 1 0 333.344 1.634 20 5 EDBDRO COc1ccccc1[C@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000782067684 580565503 /nfs/dbraw/zinc/56/55/03/580565503.db2.gz LIPZQOUPXNPEPE-HOTGVXAUSA-N 1 0 332.356 1.960 20 5 EDBDRO C[N@H+]1C[C@H]2CN(C(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]2C1 ZINC000787631464 580700091 /nfs/dbraw/zinc/70/00/91/580700091.db2.gz RZTRYNBQBNNINT-BETUJISGSA-N 1 0 348.359 1.456 20 5 EDBDRO C[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788670465 580727695 /nfs/dbraw/zinc/72/76/95/580727695.db2.gz SQRHHWSFBLTJGQ-SNVBAGLBSA-N 1 0 327.406 1.652 20 5 EDBDRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000788918259 580732654 /nfs/dbraw/zinc/73/26/54/580732654.db2.gz GFTNGVVTTQKZFI-SNVBAGLBSA-N 1 0 333.435 1.809 20 5 EDBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792879826 580829963 /nfs/dbraw/zinc/82/99/63/580829963.db2.gz LVRQHPCSQYKXQP-TZMCWYRMSA-N 1 0 325.321 1.787 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794637272 580901161 /nfs/dbraw/zinc/90/11/61/580901161.db2.gz RZEIBQIEXFVVLW-LBPRGKRZSA-N 1 0 334.376 1.734 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)OCCC[N@@H+]1CCO[C@H](C)C1 ZINC000893389768 590828008 /nfs/dbraw/zinc/82/80/08/590828008.db2.gz NQLSUHCLZOWENR-GFCCVEGCSA-N 1 0 340.380 1.144 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000892204542 590862164 /nfs/dbraw/zinc/86/21/64/590862164.db2.gz ZJWFZGHZRZBSNC-SMDDNHRTSA-N 1 0 334.376 1.449 20 5 EDBDRO CN1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+](C)CC1 ZINC000888992771 590934423 /nfs/dbraw/zinc/93/44/23/590934423.db2.gz YHSMGNPBYFHPCA-UHFFFAOYSA-N 1 0 345.403 1.396 20 5 EDBDRO Cn1c2ccccc2c(N2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1=O ZINC000892521125 591056852 /nfs/dbraw/zinc/05/68/52/591056852.db2.gz JVUBCNZEAZFXRK-GFCCVEGCSA-N 1 0 330.388 1.835 20 5 EDBDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000892713983 591144543 /nfs/dbraw/zinc/14/45/43/591144543.db2.gz KVHKRKSBKFCEOZ-PWSUYJOCSA-N 1 0 328.390 1.516 20 5 EDBDRO COc1c(O)ccc(C[NH+]2CCC3(CCN(C)C3=O)CC2)c1[N+](=O)[O-] ZINC000894066471 591181785 /nfs/dbraw/zinc/18/17/85/591181785.db2.gz CMKICTMABQEXKZ-UHFFFAOYSA-N 1 0 349.387 1.753 20 5 EDBDRO C[NH+]1CCC2(CCN2C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000892930050 591228771 /nfs/dbraw/zinc/22/87/71/591228771.db2.gz OZEUXJXUJRAMMD-UHFFFAOYSA-N 1 0 348.403 1.853 20 5 EDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(O)(COCCO)CC1 ZINC000895827866 591278375 /nfs/dbraw/zinc/27/83/75/591278375.db2.gz QFQMIDPCDYGVHN-HYXAFXHYSA-N 1 0 336.388 1.444 20 5 EDBDRO [NH3+][C@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000841201753 591304400 /nfs/dbraw/zinc/30/44/00/591304400.db2.gz POTPWKMVVNZHFC-SNVBAGLBSA-N 1 0 326.740 1.040 20 5 EDBDRO Cn1nc2c(c1CN(CC[NH3+])c1ccccc1[N+](=O)[O-])COCC2 ZINC000894447498 591314320 /nfs/dbraw/zinc/31/43/20/591314320.db2.gz AQLBIVOZZBJEFC-UHFFFAOYSA-N 1 0 331.376 1.366 20 5 EDBDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000841209582 591346315 /nfs/dbraw/zinc/34/63/15/591346315.db2.gz NVQSILNJCMWYIS-RKDXNWHRSA-N 1 0 340.767 1.396 20 5 EDBDRO C[NH+]1CCC(CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000894647439 591378307 /nfs/dbraw/zinc/37/83/07/591378307.db2.gz RTEOFEZHSAKRRP-UHFFFAOYSA-N 1 0 346.431 1.694 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1C ZINC000896221735 591386665 /nfs/dbraw/zinc/38/66/65/591386665.db2.gz VDYPNEZEPDVOJZ-CYBMUJFWSA-N 1 0 334.420 1.577 20 5 EDBDRO C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000896553403 591517809 /nfs/dbraw/zinc/51/78/09/591517809.db2.gz AGNURPLMEMUYEQ-BBRMVZONSA-N 1 0 348.447 1.623 20 5 EDBDRO C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H]1C[N@H+](C)CCN1C ZINC000896567866 591529964 /nfs/dbraw/zinc/52/99/64/591529964.db2.gz ITYGQMNIEZWFDW-IAQYHMDHSA-N 1 0 345.403 1.440 20 5 EDBDRO CCO[C@H](CNCc1ccc(O)c(OC)c1[N+](=O)[O-])C[NH+](C)C ZINC000896879525 591644859 /nfs/dbraw/zinc/64/48/59/591644859.db2.gz CUAZMNUIRKBNCE-GFCCVEGCSA-N 1 0 327.381 1.365 20 5 EDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000896912297 591676771 /nfs/dbraw/zinc/67/67/71/591676771.db2.gz RQJSNPCYOIFWCB-PELKAZGASA-N 1 0 333.314 1.735 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1C ZINC000897876502 591702928 /nfs/dbraw/zinc/70/29/28/591702928.db2.gz MTXCARWZXBUBDU-AWEZNQCLSA-N 1 0 335.404 1.788 20 5 EDBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H]4[C@H]3CCC[N@H+]4CCO)c2c1 ZINC000897221313 591776455 /nfs/dbraw/zinc/77/64/55/591776455.db2.gz LCXLSFTXPGPHIB-HZPDHXFCSA-N 1 0 343.387 1.573 20 5 EDBDRO C[N@H+](CCO)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000899736752 591925624 /nfs/dbraw/zinc/92/56/24/591925624.db2.gz SDZURBUFUJQDMQ-UHFFFAOYSA-N 1 0 346.181 1.011 20 5 EDBDRO Cn1c2cc([N+](=O)[O-])c(N3CC[C@]4(C3)CCCC[NH2+]4)cc2n(C)c1=O ZINC000900401746 592008253 /nfs/dbraw/zinc/00/82/53/592008253.db2.gz IHVRXEMZPNNZPQ-KRWDZBQOSA-N 1 0 345.403 1.508 20 5 EDBDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(c1cc(CN3CCOCC3)ccc1[N+](=O)[O-])C2 ZINC000900440187 592019076 /nfs/dbraw/zinc/01/90/76/592019076.db2.gz JIYGMPFELVQDGH-XHSDSOJGSA-N 1 0 346.431 1.743 20 5 EDBDRO CN1CCOC[C@@]1(CO)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000903279737 592151072 /nfs/dbraw/zinc/15/10/72/592151072.db2.gz RVLPGNXMBUAOLM-AEFFLSMTSA-N 1 0 349.431 1.600 20 5 EDBDRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000901015491 592197227 /nfs/dbraw/zinc/19/72/27/592197227.db2.gz CHSIWVMOTQOTQK-OAHLLOKOSA-N 1 0 341.795 1.711 20 5 EDBDRO Cc1nn(CN2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000904435245 592256065 /nfs/dbraw/zinc/25/60/65/592256065.db2.gz BBIZMHHVNGRVLA-WBMJQRKESA-N 1 0 330.392 1.489 20 5 EDBDRO C[N@@H+]1C[C@@H]2CN(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C[C@]2(C)C1 ZINC000904437157 592256517 /nfs/dbraw/zinc/25/65/17/592256517.db2.gz OFTFCOWMJIZWNL-DIFFPNOSSA-N 1 0 344.371 1.032 20 5 EDBDRO COC[C@H]1C[NH2+]CCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000903882320 592361913 /nfs/dbraw/zinc/36/19/13/592361913.db2.gz LJBGBIUVPZHPAW-GFCCVEGCSA-N 1 0 344.209 1.778 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1CCC2(COC2)CC1 ZINC000905452222 592530741 /nfs/dbraw/zinc/53/07/41/592530741.db2.gz JSNYYMHWMUHCON-AWEZNQCLSA-N 1 0 336.388 1.883 20 5 EDBDRO Cc1c(C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000908586990 592554379 /nfs/dbraw/zinc/55/43/79/592554379.db2.gz HLLJCXYWINZTOK-UHFFFAOYSA-N 1 0 335.404 1.868 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@]23CCC[C@H]2OCC3)c1 ZINC000905569180 592568681 /nfs/dbraw/zinc/56/86/81/592568681.db2.gz VHJGEABJHHABEA-USXIJHARSA-N 1 0 336.388 1.883 20 5 EDBDRO C[NH2+]C[C@H]1CCCCN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000905646985 592603960 /nfs/dbraw/zinc/60/39/60/592603960.db2.gz NPLHLGXOQNMVBP-SECBINFHSA-N 1 0 333.435 1.638 20 5 EDBDRO C[C@@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC000905696315 592626093 /nfs/dbraw/zinc/62/60/93/592626093.db2.gz MYKYPCPNPNQGTH-GDBMZVCRSA-N 1 0 348.447 1.848 20 5 EDBDRO CN(C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CC[NH2+]CC1 ZINC000911692800 592983145 /nfs/dbraw/zinc/98/31/45/592983145.db2.gz XIJQZTWCTSBKAX-HNNXBMFYSA-N 1 0 332.360 1.298 20 5 EDBDRO O=C(OCCn1cnc([N+](=O)[O-])n1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000805892936 593159867 /nfs/dbraw/zinc/15/98/67/593159867.db2.gz PXEORFDGFBDVLZ-UHFFFAOYSA-N 1 0 345.359 1.639 20 5 EDBDRO CC[NH+](CC)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])c(OC)c1 ZINC000810077261 593381050 /nfs/dbraw/zinc/38/10/50/593381050.db2.gz UVXHBHAWGISTNM-UHFFFAOYSA-N 1 0 332.378 1.654 20 5 EDBDRO CN(C[C@@H]1CCC[N@@H+]1C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000817373352 593597668 /nfs/dbraw/zinc/59/76/68/593597668.db2.gz NGVQBKHVKCPNBU-HNNXBMFYSA-N 1 0 330.392 1.837 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000818591821 593706244 /nfs/dbraw/zinc/70/62/44/593706244.db2.gz XGIHRXYVHFFMAJ-KRWDZBQOSA-N 1 0 343.387 1.547 20 5 EDBDRO Cc1ncc2c(n1)CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000818950414 593729774 /nfs/dbraw/zinc/72/97/74/593729774.db2.gz WOKWZFOZOSRBTC-WMLDXEAASA-N 1 0 328.372 1.874 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCN(CC(F)F)CC2)c1 ZINC000818987465 593732710 /nfs/dbraw/zinc/73/27/10/593732710.db2.gz XVJSUZHZYPSANB-CQSZACIVSA-N 1 0 329.347 1.947 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000819061597 593736637 /nfs/dbraw/zinc/73/66/37/593736637.db2.gz LLQJXWVUFTZQPC-ZWKOTPCHSA-N 1 0 349.431 1.861 20 5 EDBDRO C[NH+](C)[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])c1ccco1 ZINC000821581307 593867912 /nfs/dbraw/zinc/86/79/12/593867912.db2.gz IGQUJJMIDULRCR-SNVBAGLBSA-N 1 0 344.335 1.478 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820750313 593879177 /nfs/dbraw/zinc/87/91/77/593879177.db2.gz ATOLSXOJALAEEQ-LKFCYVNXSA-N 1 0 329.364 1.670 20 5 EDBDRO CS[C@H]1CN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000823968555 593897087 /nfs/dbraw/zinc/89/70/87/593897087.db2.gz WGCOATOELQNIBI-OLZOCXBDSA-N 1 0 339.421 1.686 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000824030908 593912585 /nfs/dbraw/zinc/91/25/85/593912585.db2.gz QRYFZPMCAGUYSD-ZDUSSCGKSA-N 1 0 348.403 1.404 20 5 EDBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820978737 593934055 /nfs/dbraw/zinc/93/40/55/593934055.db2.gz CQFBVPYMFQVPOT-LLVKDONJSA-N 1 0 346.395 1.846 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@H]3COCC[NH2+]3)n2)c1 ZINC000823089254 594151510 /nfs/dbraw/zinc/15/15/10/594151510.db2.gz SIUXPNHMSDHRCQ-NSHDSACASA-N 1 0 334.332 1.108 20 5 EDBDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000823193591 594167704 /nfs/dbraw/zinc/16/77/04/594167704.db2.gz UOWZMHSGEWJSKZ-ZACQAIPSSA-N 1 0 347.415 1.661 20 5 EDBDRO CC(=O)c1ccc(N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000826677938 594552934 /nfs/dbraw/zinc/55/29/34/594552934.db2.gz SMPCQFQXHSUCKQ-NSHDSACASA-N 1 0 334.376 1.354 20 5 EDBDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000826962284 594611945 /nfs/dbraw/zinc/61/19/45/594611945.db2.gz APHMOXOCNWWCOL-JKSUJKDBSA-N 1 0 349.387 1.484 20 5 EDBDRO CN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCC1 ZINC000841466664 594904896 /nfs/dbraw/zinc/90/48/96/594904896.db2.gz FFGWGCNAFIKGEJ-OAHLLOKOSA-N 1 0 335.404 1.961 20 5 EDBDRO CCC[NH2+][C@H](C)c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000843224027 595042791 /nfs/dbraw/zinc/04/27/91/595042791.db2.gz IZYZBWCYHBRSDE-LLVKDONJSA-N 1 0 347.375 1.897 20 5 EDBDRO [NH3+][C@H]1C[C@@H](c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000843223414 595042809 /nfs/dbraw/zinc/04/28/09/595042809.db2.gz CWTQVZMBFDTCNM-PHIMTYICSA-N 1 0 331.332 1.041 20 5 EDBDRO COc1cc(Cc2noc(C[C@H]3CCC[NH2+]3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000843226328 595044444 /nfs/dbraw/zinc/04/44/44/595044444.db2.gz ZKIGUTDJAMFAFZ-LLVKDONJSA-N 1 0 348.359 1.880 20 5 EDBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H]([NH3+])C1 ZINC000843345571 595081429 /nfs/dbraw/zinc/08/14/29/595081429.db2.gz XWBDPQIKMVXOGM-NXEZZACHSA-N 1 0 326.784 1.998 20 5 EDBDRO CC1([NH3+])CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000843376097 595093618 /nfs/dbraw/zinc/09/36/18/595093618.db2.gz WQGJLJSARKAMDN-UHFFFAOYSA-N 1 0 326.784 2.000 20 5 EDBDRO O=[N+]([O-])c1cc([N+](=O)[O-])n(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000834383034 595107112 /nfs/dbraw/zinc/10/71/12/595107112.db2.gz QWBFJUUSURGEAF-CYBMUJFWSA-N 1 0 347.331 1.119 20 5 EDBDRO O=[N+]([O-])c1cc([N+](=O)[O-])n(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000834383038 595107349 /nfs/dbraw/zinc/10/73/49/595107349.db2.gz QWBFJUUSURGEAF-ZDUSSCGKSA-N 1 0 347.331 1.119 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842484720 595120051 /nfs/dbraw/zinc/12/00/51/595120051.db2.gz DKFYWOWUPCLNQY-OAHLLOKOSA-N 1 0 339.417 1.674 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000842484369 595120077 /nfs/dbraw/zinc/12/00/77/595120077.db2.gz DTSBJWGIZBREOO-AWEZNQCLSA-N 1 0 325.390 1.420 20 5 EDBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843479397 595124445 /nfs/dbraw/zinc/12/44/45/595124445.db2.gz SLSGCWAENXFTEX-GFCCVEGCSA-N 1 0 341.751 1.225 20 5 EDBDRO [NH3+]CC1(CCNC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000846186151 595168106 /nfs/dbraw/zinc/16/81/06/595168106.db2.gz DVQMVFGIEASXNJ-UHFFFAOYSA-N 1 0 347.419 1.555 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])c1F ZINC000842791127 595200763 /nfs/dbraw/zinc/20/07/63/595200763.db2.gz RYIAYBWVRFOLTB-VHSXEESVSA-N 1 0 331.369 1.400 20 5 EDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000843897862 595211721 /nfs/dbraw/zinc/21/17/21/595211721.db2.gz JQOKNNUOUDOBNY-LBPRGKRZSA-N 1 0 339.367 1.619 20 5 EDBDRO Cc1cc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(N)c([N+](=O)[O-])c1 ZINC000834848968 595230334 /nfs/dbraw/zinc/23/03/34/595230334.db2.gz NOWJSDCYVRUUMO-CJNGLKHVSA-N 1 0 348.403 1.454 20 5 EDBDRO COc1ccc(S(=O)(=O)NCCCCCC[NH3+])c([N+](=O)[O-])c1 ZINC000842922579 595235663 /nfs/dbraw/zinc/23/56/63/595235663.db2.gz QUBMCENNZINORT-UHFFFAOYSA-N 1 0 331.394 1.401 20 5 EDBDRO CNC(=O)[C@H]1CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848488502 595393703 /nfs/dbraw/zinc/39/37/03/595393703.db2.gz CNWJYXRFHSSVEL-LBPRGKRZSA-N 1 0 329.360 1.484 20 5 EDBDRO Cc1cc(Cc2noc([C@]34C[NH2+]C[C@H]3COC4)n2)ccc1[N+](=O)[O-] ZINC000844912801 595412789 /nfs/dbraw/zinc/41/27/89/595412789.db2.gz KTVJGDCUPPKMGG-LRDDRELGSA-N 1 0 330.344 1.364 20 5 EDBDRO [NH3+][C@@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1F ZINC000852760512 595531512 /nfs/dbraw/zinc/53/15/12/595531512.db2.gz HDJXCEWLAWFZBO-GHMZBOCLSA-N 1 0 330.747 1.558 20 5 EDBDRO O=C(NC[C@H]1CCC[NH2+]C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857763956 595599904 /nfs/dbraw/zinc/59/99/04/595599904.db2.gz BTLAYGYAOZDCPG-JTQLQIEISA-N 1 0 329.303 1.682 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766870 595600931 /nfs/dbraw/zinc/60/09/31/595600931.db2.gz WSHOGLABVKOVAQ-JOYOIKCWSA-N 1 0 329.303 1.681 20 5 EDBDRO O=C(NCC12CC(C1)C[NH2+]2)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857768640 595602525 /nfs/dbraw/zinc/60/25/25/595602525.db2.gz UNYQKGBNOVDLQM-UHFFFAOYSA-N 1 0 327.287 1.435 20 5 EDBDRO O=C1N(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]2CCCCN12 ZINC000853118833 595671146 /nfs/dbraw/zinc/67/11/46/595671146.db2.gz RWVXRKIWBYVLJD-HZPDHXFCSA-N 1 0 348.403 1.508 20 5 EDBDRO C[C@@]12COC[C@@H]1C[N@H+](Cn1cnc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000853567174 595807446 /nfs/dbraw/zinc/80/74/46/595807446.db2.gz ULVJAVACMUFIGV-XJKSGUPXSA-N 1 0 329.360 1.779 20 5 EDBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000858812786 595897638 /nfs/dbraw/zinc/89/76/38/595897638.db2.gz SVGNQZVRYZGPBH-GFCCVEGCSA-N 1 0 336.348 1.030 20 5 EDBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[C@H](C)[NH2+]1 ZINC000858822556 595899458 /nfs/dbraw/zinc/89/94/58/595899458.db2.gz MPJHFKZGXPWBII-WDEREUQCSA-N 1 0 327.406 1.575 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)OC[C@@]2(C)C[C@@H](OC)C[N@@H+]2C)n1 ZINC000861350243 595955973 /nfs/dbraw/zinc/95/59/73/595955973.db2.gz BUYUHLSXYGHJKP-QMTHXVAHSA-N 1 0 326.353 1.077 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)OC[C@@]1(C)C[C@@H](OC)C[N@@H+]1C ZINC000861350575 595957212 /nfs/dbraw/zinc/95/72/12/595957212.db2.gz DRIHIJGYDRZSPB-MLGOLLRUSA-N 1 0 338.360 1.869 20 5 EDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000852018537 596008485 /nfs/dbraw/zinc/00/84/85/596008485.db2.gz ODWRLNZWROPISE-SFHVURJKSA-N 1 0 343.383 1.442 20 5 EDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@](O)(C(N)=O)c1ccccc1 ZINC000852037845 596017039 /nfs/dbraw/zinc/01/70/39/596017039.db2.gz BMZFMJHHPWZVRG-SFHVURJKSA-N 1 0 343.383 1.442 20 5 EDBDRO Nc1n[nH]c(C2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000852055598 596025108 /nfs/dbraw/zinc/02/51/08/596025108.db2.gz BHWYMZZDVOBYAM-ZDUSSCGKSA-N 1 0 332.364 1.208 20 5 EDBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861712711 596077426 /nfs/dbraw/zinc/07/74/26/596077426.db2.gz SFKUVQISZBZIMF-MNOVXSKESA-N 1 0 339.779 1.529 20 5 EDBDRO O=C1CCC2=C(CC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)N1 ZINC000852298048 596115455 /nfs/dbraw/zinc/11/54/55/596115455.db2.gz UJCLRBQNVAXNQF-ZDUSSCGKSA-N 1 0 347.371 1.204 20 5 EDBDRO C[NH2+]CCOCCN(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000859615054 596147165 /nfs/dbraw/zinc/14/71/65/596147165.db2.gz DOEGADHXRDJFBS-UHFFFAOYSA-N 1 0 330.772 1.948 20 5 EDBDRO O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000852435312 596160408 /nfs/dbraw/zinc/16/04/08/596160408.db2.gz LWLYBYQRNPCQDA-LLVKDONJSA-N 1 0 334.332 1.060 20 5 EDBDRO O=C(CN1CC[C@@]2(O)C[C@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852538414 596192951 /nfs/dbraw/zinc/19/29/51/596192951.db2.gz FSXOERUMMBUMSY-LKFCYVNXSA-N 1 0 325.752 1.643 20 5 EDBDRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000870854729 596378575 /nfs/dbraw/zinc/37/85/75/596378575.db2.gz XAMVLXOTLRTIQT-OGHNNQOOSA-N 1 0 330.388 1.371 20 5 EDBDRO C[N@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322428 596550437 /nfs/dbraw/zinc/55/04/37/596550437.db2.gz GLKADBZVILVPFF-JNSHFYNHSA-N 1 0 329.360 1.612 20 5 EDBDRO CC[NH+]1CCC(N2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000863499874 596600946 /nfs/dbraw/zinc/60/09/46/596600946.db2.gz KFUKWOKAIYWLEF-KRWDZBQOSA-N 1 0 346.387 1.846 20 5 EDBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000869770445 596624748 /nfs/dbraw/zinc/62/47/48/596624748.db2.gz VVOJXUUIASTGRK-UHFFFAOYSA-N 1 0 349.431 1.954 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000871813846 596709819 /nfs/dbraw/zinc/70/98/19/596709819.db2.gz ZKMJWDJDDSSJOP-SMDDNHRTSA-N 1 0 325.390 1.133 20 5 EDBDRO CN(CCC[NH+](C)C)CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865938050 596730192 /nfs/dbraw/zinc/73/01/92/596730192.db2.gz BAOSQZRCAMOTNE-UHFFFAOYSA-N 1 0 328.388 1.522 20 5 EDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000866351834 596864103 /nfs/dbraw/zinc/86/41/03/596864103.db2.gz RTTWDXZXMZSUIS-MRVWCRGKSA-N 1 0 326.368 1.900 20 5 EDBDRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000125163340 597188423 /nfs/dbraw/zinc/18/84/23/597188423.db2.gz RYEWUDYJSWPORS-VHSXEESVSA-N 1 0 333.797 1.796 20 5 EDBDRO Cc1cc(OCC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)ccc1[N+](=O)[O-] ZINC000874831261 597189626 /nfs/dbraw/zinc/18/96/26/597189626.db2.gz YXVPOSUOBBBCJP-CVEARBPZSA-N 1 0 333.388 1.977 20 5 EDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000874840949 597195116 /nfs/dbraw/zinc/19/51/16/597195116.db2.gz SFHAVYPIWKKLJZ-KBPBESRZSA-N 1 0 347.371 1.481 20 5 EDBDRO CC(C)[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(=O)N1CCCC1 ZINC000877046574 597420943 /nfs/dbraw/zinc/42/09/43/597420943.db2.gz QCWSGSAUAMEKSB-PIMMBPRGSA-N 1 0 335.408 1.731 20 5 EDBDRO CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877045481 597421002 /nfs/dbraw/zinc/42/10/02/597421002.db2.gz WUDHRPSTCDWYMX-MRFVTOPCSA-N 1 0 335.408 1.731 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@H](CO)[C@H](CO)C3)o2)c1 ZINC000877764484 597553493 /nfs/dbraw/zinc/55/34/93/597553493.db2.gz FUCKTIBWRZXWGT-OKILXGFUSA-N 1 0 332.356 1.887 20 5 EDBDRO COc1ccc([C@@H]2CN(Cc3cn(C)nc3[N+](=O)[O-])CC[NH2+]2)cc1 ZINC000879522990 597616841 /nfs/dbraw/zinc/61/68/41/597616841.db2.gz QLAATQDICIWCOZ-HNNXBMFYSA-N 1 0 331.376 1.483 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879567031 597634482 /nfs/dbraw/zinc/63/44/82/597634482.db2.gz LIDOFMYRPSHGNY-FRFSOERESA-N 1 0 335.404 1.361 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879574988 597637939 /nfs/dbraw/zinc/63/79/39/597637939.db2.gz HOEOJYILJQDNPU-BBRMVZONSA-N 1 0 332.404 1.868 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000879574960 597638019 /nfs/dbraw/zinc/63/80/19/597638019.db2.gz HEYMOLFBNAAACT-WFASDCNBSA-N 1 0 348.403 1.568 20 5 EDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879576732 597639957 /nfs/dbraw/zinc/63/99/57/597639957.db2.gz TUKWWTIUXWROGY-IPYPFGDCSA-N 1 0 332.404 1.948 20 5 EDBDRO CN1CC[NH+](C2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000879591038 597648485 /nfs/dbraw/zinc/64/84/85/597648485.db2.gz IBPWQULSAZSGDN-UHFFFAOYSA-N 1 0 348.447 1.685 20 5 EDBDRO C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CCN1c1cc[nH+]cc1 ZINC000881631939 597665526 /nfs/dbraw/zinc/66/55/26/597665526.db2.gz IFAAVIDCHYIJSK-NSHDSACASA-N 1 0 330.348 1.074 20 5 EDBDRO C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000881633409 597665850 /nfs/dbraw/zinc/66/58/50/597665850.db2.gz WNUXHMFVLDOVKC-LLVKDONJSA-N 1 0 330.348 1.074 20 5 EDBDRO CC(C)(O)[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000880146713 597856924 /nfs/dbraw/zinc/85/69/24/597856924.db2.gz PHYRFZIVXOIBCH-CYBMUJFWSA-N 1 0 333.388 1.577 20 5 EDBDRO CO[C@H]1COCC[C@H]1N(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000880428577 597930250 /nfs/dbraw/zinc/93/02/50/597930250.db2.gz BTSKEMLZFFAPMI-CABCVRRESA-N 1 0 337.376 1.293 20 5 EDBDRO CO[C@@H]1COCC[C@@H]1[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880430540 597931674 /nfs/dbraw/zinc/93/16/74/597931674.db2.gz NADSDLIAEWSJTI-LSDHHAIUSA-N 1 0 337.376 1.659 20 5 EDBDRO O=[N+]([O-])c1c(Br)cc(F)cc1NCC[N@H+]1CC[C@H](O)C1 ZINC000882672590 598018260 /nfs/dbraw/zinc/01/82/60/598018260.db2.gz QWGONSUHMQLWSM-VIFPVBQESA-N 1 0 348.172 1.975 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000917655968 697055950 /nfs/dbraw/zinc/05/59/50/697055950.db2.gz WQHZRCBZGHWIOJ-STQMWFEESA-N 1 0 339.417 1.808 20 5 EDBDRO CCc1ccc(CC[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001031661133 697432781 /nfs/dbraw/zinc/43/27/81/697432781.db2.gz ODSHFOHZKIEPKP-IAGOWNOFSA-N 1 0 331.416 1.505 20 5 EDBDRO C[C@@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000920457730 697433119 /nfs/dbraw/zinc/43/31/19/697433119.db2.gz CGHJDCHZTGGILB-ZDUSSCGKSA-N 1 0 348.403 1.315 20 5 EDBDRO Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC000940107340 700218939 /nfs/dbraw/zinc/21/89/39/700218939.db2.gz JCKRONVEWCIDMX-CHWSQXEVSA-N 1 0 338.433 1.587 20 5 EDBDRO CC(C)c1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000996428415 702782785 /nfs/dbraw/zinc/78/27/85/702782785.db2.gz CADUPZVQWIQLFW-NVXWUHKLSA-N 1 0 346.431 1.951 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000922557202 703984111 /nfs/dbraw/zinc/98/41/11/703984111.db2.gz IYFPCYOCGNWBLB-AAEUAGOBSA-N 1 0 337.376 1.329 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](C/C=C/Cl)C[C@H]2CC1 ZINC000946589369 704158655 /nfs/dbraw/zinc/15/86/55/704158655.db2.gz VSQLQYKKNUIWRT-BHYBXUCBSA-N 1 0 327.812 1.575 20 5 EDBDRO Cc1cncc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000997771396 704672854 /nfs/dbraw/zinc/67/28/54/704672854.db2.gz HBPYIZAGTUBMTE-HZPDHXFCSA-N 1 0 332.404 1.383 20 5 EDBDRO O=C(Cc1cc[nH]n1)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001002497989 709033966 /nfs/dbraw/zinc/03/39/66/709033966.db2.gz FSLIZIQLLHHCEF-UHFFFAOYSA-N 1 0 343.387 1.641 20 5 EDBDRO Cc1nc(C)c(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001034644560 710320775 /nfs/dbraw/zinc/32/07/75/710320775.db2.gz IEFQGKIBFZETOH-AAVRWANBSA-N 1 0 336.392 1.474 20 5 EDBDRO C[NH+](C)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000128449229 282264351 /nfs/dbraw/zinc/26/43/51/282264351.db2.gz SLDOMDOGEHKEMP-ZDUSSCGKSA-N 1 0 348.403 1.208 20 5 EDBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000133228844 290717738 /nfs/dbraw/zinc/71/77/38/290717738.db2.gz KZTJCKFCIUWFGN-QMMMGPOBSA-N 1 0 335.813 1.690 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)CC[C@@H]21 ZINC000154165064 530058673 /nfs/dbraw/zinc/05/86/73/530058673.db2.gz PJDLUYDRRZBDKU-MFKMUULPSA-N 1 0 336.367 1.872 20 5 EDBDRO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000183602113 235159025 /nfs/dbraw/zinc/15/90/25/235159025.db2.gz HJHDGXSWCVMSEU-TXEJJXNPSA-N 1 0 337.380 1.611 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)c(C)cc1[N+](=O)[O-] ZINC000563445357 306333610 /nfs/dbraw/zinc/33/36/10/306333610.db2.gz CGPPVVBPYKVUGS-ZDUSSCGKSA-N 1 0 341.433 1.880 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000058995003 138162226 /nfs/dbraw/zinc/16/22/26/138162226.db2.gz PRUMZEQIDXGKPJ-NHYWBVRUSA-N 1 0 348.403 1.170 20 5 EDBDRO O=C1CNC(=O)N1CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000185200495 235612018 /nfs/dbraw/zinc/61/20/18/235612018.db2.gz HSCLCUREAKBVTK-ZDUSSCGKSA-N 1 0 332.360 1.057 20 5 EDBDRO Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000124448834 138326814 /nfs/dbraw/zinc/32/68/14/138326814.db2.gz AUOLOJAAUGUWJL-INIZCTEOSA-N 1 0 347.415 1.974 20 5 EDBDRO CC[C@@H]1CCCCN1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000564562537 306360653 /nfs/dbraw/zinc/36/06/53/306360653.db2.gz HYAVOMBAPGRGJJ-UKRRQHHQSA-N 1 0 325.413 1.006 20 5 EDBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564798860 306365451 /nfs/dbraw/zinc/36/54/51/306365451.db2.gz XPUKNPPTQHLMFH-AWEZNQCLSA-N 1 0 343.380 1.498 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000564947053 306370945 /nfs/dbraw/zinc/37/09/45/306370945.db2.gz MFDIWHDGXGOXFP-NSHDSACASA-N 1 0 335.360 1.438 20 5 EDBDRO COc1cc(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000414496032 304120276 /nfs/dbraw/zinc/12/02/76/304120276.db2.gz HXIUHSYBBINOCR-LLVKDONJSA-N 1 0 337.376 1.522 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000020001577 212093348 /nfs/dbraw/zinc/09/33/48/212093348.db2.gz AMWDFAAUVZZQQV-UHFFFAOYSA-N 1 0 333.797 1.541 20 5 EDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000236834036 139033137 /nfs/dbraw/zinc/03/31/37/139033137.db2.gz UTRJBKJDIJFMEM-CQSZACIVSA-N 1 0 343.405 1.102 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000237190766 139043499 /nfs/dbraw/zinc/04/34/99/139043499.db2.gz IUMWBUXZNFCJDY-JQWIXIFHSA-N 1 0 343.405 1.351 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000237245125 139045600 /nfs/dbraw/zinc/04/56/00/139045600.db2.gz DDQDIGXZZVLKIA-ZETCQYMHSA-N 1 0 331.275 1.378 20 5 EDBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000237962254 139065094 /nfs/dbraw/zinc/06/50/94/139065094.db2.gz TWOPGBHVPLALHD-CYBMUJFWSA-N 1 0 329.360 1.734 20 5 EDBDRO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC[NH2+]CC1 ZINC000238016552 139066734 /nfs/dbraw/zinc/06/67/34/139066734.db2.gz FCUNBZSUQDQURW-UHFFFAOYSA-N 1 0 348.359 1.105 20 5 EDBDRO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H]1CCC[NH2+]C1 ZINC000238016948 139066757 /nfs/dbraw/zinc/06/67/57/139066757.db2.gz XNLAYOVFPIECHH-LLVKDONJSA-N 1 0 348.359 1.151 20 5 EDBDRO [NH3+][C@H]1C[C@@H]2CN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000568415208 306481212 /nfs/dbraw/zinc/48/12/12/306481212.db2.gz KZHBJESFENSVDP-SCZZXKLOSA-N 1 0 345.186 1.650 20 5 EDBDRO COC(=O)[C@@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000248953712 139181422 /nfs/dbraw/zinc/18/14/22/139181422.db2.gz AFHFNSPRWDJXQL-SWLSCSKDSA-N 1 0 349.387 1.689 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000249395369 139192521 /nfs/dbraw/zinc/19/25/21/139192521.db2.gz APEDWULJCZVFRY-KBPBESRZSA-N 1 0 335.404 1.441 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000094004318 218260655 /nfs/dbraw/zinc/26/06/55/218260655.db2.gz JYAZDCKWBBIMCG-WDEREUQCSA-N 1 0 344.371 1.649 20 5 EDBDRO CN(C[C@H](O)C[NH3+])C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415451008 304222128 /nfs/dbraw/zinc/22/21/28/304222128.db2.gz XAZMKUGEUNXBHJ-MRVPVSSYSA-N 1 0 336.270 1.397 20 5 EDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000569119065 306497287 /nfs/dbraw/zinc/49/72/87/306497287.db2.gz XYHZSHCAGVRNAH-OLZOCXBDSA-N 1 0 335.408 1.552 20 5 EDBDRO CCOc1cc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000261804243 139227491 /nfs/dbraw/zinc/22/74/91/139227491.db2.gz MAEBXVCRMDAVNG-WDEREUQCSA-N 1 0 337.376 1.811 20 5 EDBDRO COC(=O)COc1ccc(CN2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000261805622 139227648 /nfs/dbraw/zinc/22/76/48/139227648.db2.gz HHMBADXYPGXHCJ-YPMHNXCESA-N 1 0 337.376 1.316 20 5 EDBDRO C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000261995137 139242624 /nfs/dbraw/zinc/24/26/24/139242624.db2.gz UERZPJDUAULWRF-GHMZBOCLSA-N 1 0 327.406 1.798 20 5 EDBDRO C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000262011024 139243597 /nfs/dbraw/zinc/24/35/97/139243597.db2.gz WLMMLPYAPQBRMG-CABZTGNLSA-N 1 0 347.824 1.996 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415868611 251035282 /nfs/dbraw/zinc/03/52/82/251035282.db2.gz MEFFGZMLZKKOSS-LBPRGKRZSA-N 1 0 334.376 1.354 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000262320938 139269866 /nfs/dbraw/zinc/26/98/66/139269866.db2.gz QXIRSZLDLKTWDK-NXEZZACHSA-N 1 0 347.824 1.914 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000262443425 139279373 /nfs/dbraw/zinc/27/93/73/139279373.db2.gz HADXCDIALUHJLB-NXEZZACHSA-N 1 0 329.378 1.022 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)NCCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000417846453 251296217 /nfs/dbraw/zinc/29/62/17/251296217.db2.gz JHZYWIWDABIAAK-AWEZNQCLSA-N 1 0 349.435 1.559 20 5 EDBDRO CO[C@@H]1CCN(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000417993942 251318557 /nfs/dbraw/zinc/31/85/57/251318557.db2.gz YIBMBFWVLMLGBX-YNEHKIRRSA-N 1 0 336.392 1.804 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000262516275 139283781 /nfs/dbraw/zinc/28/37/81/139283781.db2.gz NMUACKLCNSALBV-NEPJUHHUSA-N 1 0 325.390 1.276 20 5 EDBDRO O=C(NCC[C@H]1CCC[NH2+]C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418348143 251362440 /nfs/dbraw/zinc/36/24/40/251362440.db2.gz ODXBVTVHWKFICJ-CYBMUJFWSA-N 1 0 348.403 1.889 20 5 EDBDRO C[C@H]([NH3+])[C@H](C)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000420265810 251662634 /nfs/dbraw/zinc/66/26/34/251662634.db2.gz QCSXFNUUSGZBFX-IUCAKERBSA-N 1 0 337.767 1.942 20 5 EDBDRO C[NH2+]CCN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000420337793 251681835 /nfs/dbraw/zinc/68/18/35/251681835.db2.gz MYUGDKDRGCYYQP-UHFFFAOYSA-N 1 0 345.197 1.447 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000415590161 304234411 /nfs/dbraw/zinc/23/44/11/304234411.db2.gz GMDXLYQWXBYBKP-MRXNPFEDSA-N 1 0 332.360 1.054 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000262755867 139301468 /nfs/dbraw/zinc/30/14/68/139301468.db2.gz OWXAGYKCGRJOKH-SLEUVZQESA-N 1 0 348.403 1.441 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)c1C ZINC000262750119 139301063 /nfs/dbraw/zinc/30/10/63/139301063.db2.gz MZSPXXDYSADQOQ-GFCCVEGCSA-N 1 0 327.406 1.490 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH2+]CC2)c2ncccc12 ZINC000262778491 139303087 /nfs/dbraw/zinc/30/30/87/139303087.db2.gz OHVQFATYQLZGPH-UHFFFAOYSA-N 1 0 336.373 1.173 20 5 EDBDRO CCC[NH2+]CCNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000415594821 304235532 /nfs/dbraw/zinc/23/55/32/304235532.db2.gz GOTLFAUCEGBEDN-UHFFFAOYSA-N 1 0 338.364 1.811 20 5 EDBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000424005427 252111764 /nfs/dbraw/zinc/11/17/64/252111764.db2.gz RWAYJKBZCKOQGP-FUHWJXTLSA-N 1 0 347.415 1.882 20 5 EDBDRO COc1cc(C[NH2+]CCCCS(C)(=O)=O)c([N+](=O)[O-])cc1O ZINC000424175515 252153411 /nfs/dbraw/zinc/15/34/11/252153411.db2.gz USEAKQHBKMEXLO-UHFFFAOYSA-N 1 0 332.378 1.223 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000262977767 139316346 /nfs/dbraw/zinc/31/63/46/139316346.db2.gz YIECASRLRHDVLH-ZJUUUORDSA-N 1 0 330.344 1.719 20 5 EDBDRO COc1cc(OCC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000425055663 252296246 /nfs/dbraw/zinc/29/62/46/252296246.db2.gz HXCDZJPRFYRRRW-SWLSCSKDSA-N 1 0 349.387 1.535 20 5 EDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000569723793 306517893 /nfs/dbraw/zinc/51/78/93/306517893.db2.gz NQBFHSSMZSPDLN-RKDXNWHRSA-N 1 0 342.783 1.106 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000249514000 291821940 /nfs/dbraw/zinc/82/19/40/291821940.db2.gz ISFVPRAMYOYBHO-AVGNSLFASA-N 1 0 339.417 1.569 20 5 EDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000415635174 304243621 /nfs/dbraw/zinc/24/36/21/304243621.db2.gz UBJMENGAJSFHLS-ZDUSSCGKSA-N 1 0 337.355 1.245 20 5 EDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000415656950 304249464 /nfs/dbraw/zinc/24/94/64/304249464.db2.gz UJPPIRGBABACEO-IUCAKERBSA-N 1 0 340.767 1.573 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000415669759 304252560 /nfs/dbraw/zinc/25/25/60/304252560.db2.gz ABKDQFXJIDCHLO-GFCCVEGCSA-N 1 0 334.376 1.429 20 5 EDBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420243234 285147373 /nfs/dbraw/zinc/14/73/73/285147373.db2.gz CNRIILXNGSEDIO-OAHLLOKOSA-N 1 0 327.388 1.627 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1nnc2n1CCOC2)C1CC1 ZINC000375447419 285161490 /nfs/dbraw/zinc/16/14/90/285161490.db2.gz MCJHJMMATGIHKB-CQSZACIVSA-N 1 0 343.387 1.827 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c([N+](=O)[O-])c1 ZINC000263641200 139349089 /nfs/dbraw/zinc/34/90/89/139349089.db2.gz BSTHZKRZRCHBRS-CYBMUJFWSA-N 1 0 335.360 1.279 20 5 EDBDRO COc1ccc(CSCC(=O)N[C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000449590342 254642308 /nfs/dbraw/zinc/64/23/08/254642308.db2.gz OQSWFKZUOPPRJR-NXEZZACHSA-N 1 0 327.406 1.689 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCOCC[NH+](C)C)cc1C ZINC000471643755 255015450 /nfs/dbraw/zinc/01/54/50/255015450.db2.gz SARVWRXNTPKROE-UHFFFAOYSA-N 1 0 345.421 1.068 20 5 EDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000493550344 255214880 /nfs/dbraw/zinc/21/48/80/255214880.db2.gz HXZDQRQSZYLURJ-ZVVFDCPKSA-N 1 0 331.372 1.181 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000492715593 255185500 /nfs/dbraw/zinc/18/55/00/255185500.db2.gz CCFBSRPWMYYPMT-QDDHOEGMSA-N 1 0 333.388 1.522 20 5 EDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000493146075 255193161 /nfs/dbraw/zinc/19/31/61/255193161.db2.gz GSBJYECBTJBMSH-WVMJFEGXSA-N 1 0 349.362 1.320 20 5 EDBDRO CNC(=O)[C@H]1CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117336458 221054613 /nfs/dbraw/zinc/05/46/13/221054613.db2.gz MFXLRVMXQBMSQC-GFCCVEGCSA-N 1 0 348.359 1.103 20 5 EDBDRO COc1ccc(C(=O)NCCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000118722681 221172777 /nfs/dbraw/zinc/17/27/77/221172777.db2.gz BFHCERCRRXHBRZ-UHFFFAOYSA-N 1 0 337.376 1.180 20 5 EDBDRO CC[NH+](CC)CCN(CCOC)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264215310 139387484 /nfs/dbraw/zinc/38/74/84/139387484.db2.gz UVLJEHAIOVBMBJ-UHFFFAOYSA-N 1 0 337.420 1.954 20 5 EDBDRO C[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000266869035 139565717 /nfs/dbraw/zinc/56/57/17/139565717.db2.gz MNLJDPMPQKBGCJ-WCQYABFASA-N 1 0 327.406 1.669 20 5 EDBDRO COc1ccc(NC(=O)c2ccn(CC[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC000571418230 306565226 /nfs/dbraw/zinc/56/52/26/306565226.db2.gz XSBWRNFLMINWFV-UHFFFAOYSA-N 1 0 333.348 1.614 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c1 ZINC000270089286 140044187 /nfs/dbraw/zinc/04/41/87/140044187.db2.gz JSTRHWCRNWMFRU-UHFFFAOYSA-N 1 0 344.371 1.879 20 5 EDBDRO CS[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1[NH+](C)C ZINC000270984603 140213859 /nfs/dbraw/zinc/21/38/59/140213859.db2.gz DFIDAJSQJBQKHD-LSDHHAIUSA-N 1 0 337.445 1.950 20 5 EDBDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])nc2)C1 ZINC000271093222 140235525 /nfs/dbraw/zinc/23/55/25/140235525.db2.gz UYTBQCRVFAVNDQ-NSHDSACASA-N 1 0 345.363 1.106 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000271409431 140291972 /nfs/dbraw/zinc/29/19/72/140291972.db2.gz ODHAAYZGSYQAHD-WCQYABFASA-N 1 0 333.392 1.417 20 5 EDBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000331834122 141086562 /nfs/dbraw/zinc/08/65/62/141086562.db2.gz BPVWTQYAGIPWBU-LZWOXQAQSA-N 1 0 336.388 1.965 20 5 EDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000332453503 141184357 /nfs/dbraw/zinc/18/43/57/141184357.db2.gz NOQNGAVFVCYLJY-GTNSWQLSSA-N 1 0 346.387 1.966 20 5 EDBDRO NC(=O)c1ccc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c([N+](=O)[O-])c1 ZINC000339764950 142149280 /nfs/dbraw/zinc/14/92/80/142149280.db2.gz VNWAGGFBDSAAOP-WBVHZDCISA-N 1 0 349.387 1.103 20 5 EDBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC[N@@H+]1C ZINC000344960395 143031357 /nfs/dbraw/zinc/03/13/57/143031357.db2.gz AWUVZVUMAFDEDY-GHMZBOCLSA-N 1 0 327.406 1.893 20 5 EDBDRO [NH3+]CC1CCC(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000345205963 143064467 /nfs/dbraw/zinc/06/44/67/143064467.db2.gz OHMCHUXDKWDXAP-UHFFFAOYSA-N 1 0 341.433 1.779 20 5 EDBDRO Cc1ncc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(=O)[nH]1 ZINC000346333081 143192967 /nfs/dbraw/zinc/19/29/67/143192967.db2.gz RHVOLQYVMWDTKU-JTQLQIEISA-N 1 0 345.359 1.906 20 5 EDBDRO COC(=O)[C@@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])[C@@H]1C ZINC000346650405 143226563 /nfs/dbraw/zinc/22/65/63/143226563.db2.gz CFDLVLLXRHPTAE-DGCLKSJQSA-N 1 0 338.360 1.866 20 5 EDBDRO CO[C@@H]1C[C@H](CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2F)[N@H+](C)C1 ZINC000346700734 143234330 /nfs/dbraw/zinc/23/43/30/143234330.db2.gz QTFPGXVQBCESMW-ZIAGYGMSSA-N 1 0 339.367 1.454 20 5 EDBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000347127939 143285754 /nfs/dbraw/zinc/28/57/54/143285754.db2.gz HEYBENYVQIJBPJ-LBPRGKRZSA-N 1 0 339.367 1.192 20 5 EDBDRO Cc1c(NC(=O)CC[NH+]2[C@H](CO)CC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000347301955 143305649 /nfs/dbraw/zinc/30/56/49/143305649.db2.gz FCJFUYOERMAMDP-STQMWFEESA-N 1 0 337.376 1.049 20 5 EDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000347701137 143351681 /nfs/dbraw/zinc/35/16/81/143351681.db2.gz KRXCDPHKILJXNI-CHWSQXEVSA-N 1 0 337.424 1.816 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](c3ccncc3)C2)c1 ZINC000347713723 143353075 /nfs/dbraw/zinc/35/30/75/143353075.db2.gz CGGCTNLUHOIVCI-ZBFHGGJFSA-N 1 0 331.376 1.427 20 5 EDBDRO CCOc1ccc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000347765676 143360303 /nfs/dbraw/zinc/36/03/03/143360303.db2.gz ABHGOVHUDIZCIW-HOCLYGCPSA-N 1 0 349.387 1.539 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000347785937 143362974 /nfs/dbraw/zinc/36/29/74/143362974.db2.gz GLESVKLGWIVOAF-DZGCQCFKSA-N 1 0 335.360 1.149 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000348025241 143392624 /nfs/dbraw/zinc/39/26/24/143392624.db2.gz TVUDUHHLLAWOHN-RISCZKNCSA-N 1 0 348.403 1.118 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)c1 ZINC000572596298 306594124 /nfs/dbraw/zinc/59/41/24/306594124.db2.gz WDVGOIRXCKOTGT-UAGQMJEPSA-N 1 0 346.387 1.662 20 5 EDBDRO C[NH+](C)CC(C)(C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000416507661 304326612 /nfs/dbraw/zinc/32/66/12/304326612.db2.gz LNVKOIFOBDXREV-UHFFFAOYSA-N 1 0 329.422 1.397 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(Cc3ccccn3)CC2)c1 ZINC000369826665 155193194 /nfs/dbraw/zinc/19/31/94/155193194.db2.gz ZJWIDVGAXIBXQG-QGZVFWFLSA-N 1 0 345.403 1.502 20 5 EDBDRO C[C@]1(C[NH3+])CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000262473732 148981291 /nfs/dbraw/zinc/98/12/91/148981291.db2.gz YNXSHGHSBHOLEJ-MRXNPFEDSA-N 1 0 329.360 1.591 20 5 EDBDRO Cc1cc(NC(=O)N2CCN(Cc3ncc[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000352882123 149201401 /nfs/dbraw/zinc/20/14/01/149201401.db2.gz HDMLORPERLCNNM-UHFFFAOYSA-N 1 0 344.375 1.976 20 5 EDBDRO COC[C@H](CO)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000353149020 149303409 /nfs/dbraw/zinc/30/34/09/149303409.db2.gz HBOGUKHRVPUOKX-NSHDSACASA-N 1 0 336.344 1.960 20 5 EDBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)Cn2cccn2)c([N+](=O)[O-])c1 ZINC000354916540 150030032 /nfs/dbraw/zinc/03/00/32/150030032.db2.gz GTRHBFVBTSYXNE-NWDGAFQWSA-N 1 0 347.375 1.805 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)Cn2cccn2)c([N+](=O)[O-])c1 ZINC000354916539 150030552 /nfs/dbraw/zinc/03/05/52/150030552.db2.gz GTRHBFVBTSYXNE-NEPJUHHUSA-N 1 0 347.375 1.805 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3NC)[C@H]2C1 ZINC000355390080 150249236 /nfs/dbraw/zinc/24/92/36/150249236.db2.gz UHYDLJHPKYBZTI-LSDHHAIUSA-N 1 0 348.403 1.572 20 5 EDBDRO O=C(NC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1)c1ccoc1 ZINC000370026787 155288894 /nfs/dbraw/zinc/28/88/94/155288894.db2.gz LRNVBQBPXDISRJ-UHFFFAOYSA-N 1 0 333.348 1.279 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000357991118 151225613 /nfs/dbraw/zinc/22/56/13/151225613.db2.gz SIIGZZOEOSGQSF-LBPRGKRZSA-N 1 0 344.375 1.199 20 5 EDBDRO CC1=CC[N@H+](CCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000358070424 151258184 /nfs/dbraw/zinc/25/81/84/151258184.db2.gz VMFMAAISOCUATC-UHFFFAOYSA-N 1 0 333.344 1.705 20 5 EDBDRO CC[C@H]([NH2+]C[C@@H]1CS(=O)(=O)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000358304485 151331919 /nfs/dbraw/zinc/33/19/19/151331919.db2.gz XRCTUPDFXANDDB-KGLIPLIRSA-N 1 0 328.390 1.449 20 5 EDBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000358331306 151339497 /nfs/dbraw/zinc/33/94/97/151339497.db2.gz DLFRRVOELCLBJJ-GFCCVEGCSA-N 1 0 325.413 1.726 20 5 EDBDRO Cc1cc(NC[C@@]2(O)CC[N@@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000358343586 151344039 /nfs/dbraw/zinc/34/40/39/151344039.db2.gz MTJXWVBOLNGJBW-KRWDZBQOSA-N 1 0 343.387 1.261 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000360209714 151951049 /nfs/dbraw/zinc/95/10/49/151951049.db2.gz RJOYJWVSWOUHBX-LBPRGKRZSA-N 1 0 335.339 1.500 20 5 EDBDRO C[C@H]1C[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000360664173 152144586 /nfs/dbraw/zinc/14/45/86/152144586.db2.gz GECMQQXPVWPRHM-WCQYABFASA-N 1 0 327.406 1.497 20 5 EDBDRO C[C@@H](NC(=O)NCCCN1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000417141623 304377010 /nfs/dbraw/zinc/37/70/10/304377010.db2.gz RJMNNWIEPPGMMS-CYBMUJFWSA-N 1 0 335.408 1.250 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000361069715 152294501 /nfs/dbraw/zinc/29/45/01/152294501.db2.gz TTWDAXAOAXMQCY-NEPJUHHUSA-N 1 0 333.344 1.680 20 5 EDBDRO CNc1c(C(=O)N(C)CCCN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000361211183 152336425 /nfs/dbraw/zinc/33/64/25/152336425.db2.gz GBMCLIICQOLVNJ-UHFFFAOYSA-N 1 0 349.435 1.346 20 5 EDBDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000361358350 152371044 /nfs/dbraw/zinc/37/10/44/152371044.db2.gz JZBLYWKSGKOXCU-RRCSTGOVSA-N 1 0 339.436 1.390 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000417180604 304381024 /nfs/dbraw/zinc/38/10/24/304381024.db2.gz GZEMUPMKBDUHPB-GFCCVEGCSA-N 1 0 336.392 1.792 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000363930247 153099782 /nfs/dbraw/zinc/09/97/82/153099782.db2.gz QMQFBWXRXRXUGU-FZMZJTMJSA-N 1 0 325.390 1.310 20 5 EDBDRO CN(C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000364061235 153135978 /nfs/dbraw/zinc/13/59/78/153135978.db2.gz YWAZTWGBQYTNTI-CVEARBPZSA-N 1 0 332.404 1.212 20 5 EDBDRO CN(CC(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000364186072 153167309 /nfs/dbraw/zinc/16/73/09/153167309.db2.gz HTMGAJLJKLUCQT-RDJZCZTQSA-N 1 0 332.404 1.761 20 5 EDBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000364197701 153170079 /nfs/dbraw/zinc/17/00/79/153170079.db2.gz VNFRHFOVQCYHGX-RDBQEKCUSA-N 1 0 325.315 1.192 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000366632856 153874276 /nfs/dbraw/zinc/87/42/76/153874276.db2.gz RAAQZHCEXKQAJM-ZIAGYGMSSA-N 1 0 332.404 1.997 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)n1 ZINC000367557725 154176072 /nfs/dbraw/zinc/17/60/72/154176072.db2.gz SSUWJUWOAKVVBG-CQSZACIVSA-N 1 0 343.387 1.675 20 5 EDBDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000371705159 156070950 /nfs/dbraw/zinc/07/09/50/156070950.db2.gz AHXSJSWHHGVKQI-QRTARXTBSA-N 1 0 334.372 1.903 20 5 EDBDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc([N+](=O)[O-])cc1 ZINC000371879682 156150471 /nfs/dbraw/zinc/15/04/71/156150471.db2.gz JWWPKKBKPRIPDE-PLQHRBFRSA-N 1 0 346.387 1.966 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000372175001 156256540 /nfs/dbraw/zinc/25/65/40/156256540.db2.gz DAFNNOUXKPJVQL-UHFFFAOYSA-N 1 0 339.417 1.808 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c2nonc21 ZINC000375772637 157653733 /nfs/dbraw/zinc/65/37/33/157653733.db2.gz KDNNWJKQVCHXHY-GWCFXTLKSA-N 1 0 333.348 1.166 20 5 EDBDRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178644541 286658986 /nfs/dbraw/zinc/65/89/86/286658986.db2.gz KROGWEBBLNQAPD-GFCCVEGCSA-N 1 0 329.422 1.917 20 5 EDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)cc1 ZINC000378145963 158091341 /nfs/dbraw/zinc/09/13/41/158091341.db2.gz COFCSTMNJDQZEF-KRWDZBQOSA-N 1 0 335.404 1.566 20 5 EDBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCC[NH2+]C1 ZINC000418000957 304444708 /nfs/dbraw/zinc/44/47/08/304444708.db2.gz XLACKVRCGIPXEZ-LBPRGKRZSA-N 1 0 326.784 1.842 20 5 EDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418082534 304455872 /nfs/dbraw/zinc/45/58/72/304455872.db2.gz JIMLKCGPJOTFFU-ONGXEEELSA-N 1 0 332.364 1.398 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000418083935 304456246 /nfs/dbraw/zinc/45/62/46/304456246.db2.gz NRXQZOSQLPDRTA-WDEREUQCSA-N 1 0 346.391 1.740 20 5 EDBDRO COC(=O)CCC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090552079 287331053 /nfs/dbraw/zinc/33/10/53/287331053.db2.gz PCXPVKVTFBYKID-UHFFFAOYSA-N 1 0 337.376 1.422 20 5 EDBDRO O=C(NC1CC[NH2+]CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165831651 226136360 /nfs/dbraw/zinc/13/63/60/226136360.db2.gz HFPRLSSCPAXTHJ-UHFFFAOYSA-N 1 0 328.166 1.839 20 5 EDBDRO CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000165884506 226140162 /nfs/dbraw/zinc/14/01/62/226140162.db2.gz KRNVLGMZSPAKDV-SNVBAGLBSA-N 1 0 328.166 1.791 20 5 EDBDRO [NH3+][C@H]1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000132347927 287523714 /nfs/dbraw/zinc/52/37/14/287523714.db2.gz TYRHKCCVCSSFHH-QMMMGPOBSA-N 1 0 333.266 1.709 20 5 EDBDRO CCCC[C@H](C[NH3+])NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418456935 304497539 /nfs/dbraw/zinc/49/75/39/304497539.db2.gz DATWPKAXDHCASS-GFCCVEGCSA-N 1 0 336.392 1.885 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1C ZINC000262752844 273017871 /nfs/dbraw/zinc/01/78/71/273017871.db2.gz GUTBZVORZVFKLI-PWSUYJOCSA-N 1 0 327.406 1.488 20 5 EDBDRO C[C@]1(CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000273024715 267965271 /nfs/dbraw/zinc/96/52/71/267965271.db2.gz QVZAYDVOPYTEDT-KRWDZBQOSA-N 1 0 348.403 1.221 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]12 ZINC000273367149 268036468 /nfs/dbraw/zinc/03/64/68/268036468.db2.gz CFFNTWLGQWYIBM-ZMLRMANQSA-N 1 0 333.344 1.175 20 5 EDBDRO Cc1c(NC(=O)CC[NH2+][C@@H](CO)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000274012205 268097501 /nfs/dbraw/zinc/09/75/01/268097501.db2.gz KYZZUMVZKGSOML-AWEZNQCLSA-N 1 0 347.375 1.289 20 5 EDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000273058397 273026244 /nfs/dbraw/zinc/02/62/44/273026244.db2.gz WZHGYRSFPCADOY-XHDPSFHLSA-N 1 0 332.360 1.298 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000273058393 273026264 /nfs/dbraw/zinc/02/62/64/273026264.db2.gz WZHGYRSFPCADOY-IAQYHMDHSA-N 1 0 332.360 1.298 20 5 EDBDRO C[N@H+]1CC=C(CNC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000273105099 273028555 /nfs/dbraw/zinc/02/85/55/273028555.db2.gz MVRFNVMEJZBZSY-INIZCTEOSA-N 1 0 344.371 1.466 20 5 EDBDRO Cc1c(NC(=O)C(=O)N(C)C[C@H]2CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000275797525 268373685 /nfs/dbraw/zinc/37/36/85/268373685.db2.gz CLQIDFDVOWIXQZ-LBPRGKRZSA-N 1 0 334.376 1.252 20 5 EDBDRO CN1CCC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000273410901 273036790 /nfs/dbraw/zinc/03/67/90/273036790.db2.gz HUZFXDWPEMVRAN-UHFFFAOYSA-N 1 0 327.406 1.052 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273967940 273063042 /nfs/dbraw/zinc/06/30/42/273063042.db2.gz QLSRZJKFFJVWLH-UHFFFAOYSA-N 1 0 341.383 1.706 20 5 EDBDRO Cn1ccnc(N2CCC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)c1=O ZINC000275652925 273116230 /nfs/dbraw/zinc/11/62/30/273116230.db2.gz ULMIKQVVAXPGJZ-AWEZNQCLSA-N 1 0 343.387 1.447 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000044669526 272911117 /nfs/dbraw/zinc/91/11/17/272911117.db2.gz MTZNIKFACLNEGY-ZDUSSCGKSA-N 1 0 333.348 1.338 20 5 EDBDRO CC(C)(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000277085870 273179786 /nfs/dbraw/zinc/17/97/86/273179786.db2.gz RILIBPPNXHUACY-UHFFFAOYSA-N 1 0 341.433 1.995 20 5 EDBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2N)CCCO1 ZINC000277465709 273201349 /nfs/dbraw/zinc/20/13/49/273201349.db2.gz IDZCUQMZTWMGRH-GFCCVEGCSA-N 1 0 336.392 1.408 20 5 EDBDRO O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000279682868 273318126 /nfs/dbraw/zinc/31/81/26/273318126.db2.gz HKDNGNSNZKUZJJ-QGZVFWFLSA-N 1 0 344.415 1.870 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000282567918 273679591 /nfs/dbraw/zinc/67/95/91/273679591.db2.gz RSQHLCHHONIXJR-VIFPVBQESA-N 1 0 340.355 1.437 20 5 EDBDRO CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000362019556 273703985 /nfs/dbraw/zinc/70/39/85/273703985.db2.gz VLIMTVNETRBEQV-GDBMZVCRSA-N 1 0 349.387 1.268 20 5 EDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000283825675 273975267 /nfs/dbraw/zinc/97/52/67/273975267.db2.gz FSBLFZQSWKFBQA-LLVKDONJSA-N 1 0 336.367 1.874 20 5 EDBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCO)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000284112064 274084662 /nfs/dbraw/zinc/08/46/62/274084662.db2.gz NCODJNWQDXLJNH-UHFFFAOYSA-N 1 0 325.321 1.476 20 5 EDBDRO C[N@@H+]1CCO[C@@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C[C@H]21 ZINC000284949087 274399038 /nfs/dbraw/zinc/39/90/38/274399038.db2.gz JQVLGEYHTILJGX-ZIAGYGMSSA-N 1 0 345.359 1.153 20 5 EDBDRO O=C1C[C@H]([N@@H+]2CC[C@H](C3CC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000378304060 275020657 /nfs/dbraw/zinc/02/06/57/275020657.db2.gz FWROXSAVEFMIDT-WFASDCNBSA-N 1 0 329.356 1.959 20 5 EDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCCS1(=O)=O ZINC000344870170 275398277 /nfs/dbraw/zinc/39/82/77/275398277.db2.gz XNCMAGOWEMQYIG-RAXLEYEMSA-N 1 0 339.417 1.623 20 5 EDBDRO C[NH2+]CCC1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000420228595 277021429 /nfs/dbraw/zinc/02/14/29/277021429.db2.gz RMPQBVSFFVVFCB-UHFFFAOYSA-N 1 0 342.421 1.068 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000151630898 277056414 /nfs/dbraw/zinc/05/64/14/277056414.db2.gz XGWQYYUSRVLGAY-CQSZACIVSA-N 1 0 336.367 1.477 20 5 EDBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000286332994 287984237 /nfs/dbraw/zinc/98/42/37/287984237.db2.gz YYCRXAGUTNWVON-AWEZNQCLSA-N 1 0 347.375 1.219 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1(C[NH+](C)C)CCC1 ZINC000355307162 277840626 /nfs/dbraw/zinc/84/06/26/277840626.db2.gz KRMRPQJBVGEIQS-UHFFFAOYSA-N 1 0 343.405 1.366 20 5 EDBDRO CS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000261963226 278119845 /nfs/dbraw/zinc/11/98/45/278119845.db2.gz YBOQIWKGRLMIDK-UHTWSYAYSA-N 1 0 339.417 1.562 20 5 EDBDRO C[C@@H](C[NH3+])NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416881348 278249441 /nfs/dbraw/zinc/24/94/41/278249441.db2.gz HAKFXVQGMDLUGE-QMMMGPOBSA-N 1 0 349.313 1.672 20 5 EDBDRO CC(C)(C(=O)N[C@H](CO)C[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000413799230 278276620 /nfs/dbraw/zinc/27/66/20/278276620.db2.gz NJLVENQGRFFHBG-AWEZNQCLSA-N 1 0 349.431 1.835 20 5 EDBDRO C[C@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000262539296 278369092 /nfs/dbraw/zinc/36/90/92/278369092.db2.gz QVDDWERDJVWBQX-UWVGGRQHSA-N 1 0 331.369 1.339 20 5 EDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000286695873 288064174 /nfs/dbraw/zinc/06/41/74/288064174.db2.gz BAYONHXEUBPWDB-WFASDCNBSA-N 1 0 332.404 1.752 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000193283775 278664282 /nfs/dbraw/zinc/66/42/82/278664282.db2.gz FJJYLQHKHQKTJK-CHWSQXEVSA-N 1 0 341.433 1.960 20 5 EDBDRO CC[C@@H](C)[N@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000286724207 288070739 /nfs/dbraw/zinc/07/07/39/288070739.db2.gz BHLALFLXJZGDTA-LLVKDONJSA-N 1 0 325.365 1.635 20 5 EDBDRO COC(=O)c1cc(C)nc(NCCN2CCCOCC2)c1[N+](=O)[O-] ZINC000286758294 288079973 /nfs/dbraw/zinc/07/99/73/288079973.db2.gz SDUTWFORKNJTNL-UHFFFAOYSA-N 1 0 338.364 1.219 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000286870747 288109167 /nfs/dbraw/zinc/10/91/67/288109167.db2.gz HUPVEMYWBFRPNS-UHFFFAOYSA-N 1 0 336.392 1.863 20 5 EDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000286991332 288132307 /nfs/dbraw/zinc/13/23/07/288132307.db2.gz JZYXBTFLONQONE-OLZOCXBDSA-N 1 0 336.396 1.060 20 5 EDBDRO C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C[NH3+] ZINC000262586354 279725971 /nfs/dbraw/zinc/72/59/71/279725971.db2.gz ZURVHIUJKJOZKM-UWVGGRQHSA-N 1 0 347.824 1.854 20 5 EDBDRO Cc1cc(N2CC[C@@H]3OCC(=O)N[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000366608588 280570569 /nfs/dbraw/zinc/57/05/69/280570569.db2.gz NAHQFOQCNBYOPT-ZBFHGGJFSA-N 1 0 342.355 1.545 20 5 EDBDRO Cc1cnc(N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC000262175756 281601805 /nfs/dbraw/zinc/60/18/05/281601805.db2.gz IFTLDEYSKSYXHC-KGLIPLIRSA-N 1 0 347.419 1.383 20 5 EDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCCO)c1 ZINC000289799893 288781729 /nfs/dbraw/zinc/78/17/29/288781729.db2.gz IFSJRXGKGWGZKL-UHFFFAOYSA-N 1 0 336.129 1.671 20 5 EDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCn1cc(CO)nn1 ZINC000289839855 288788340 /nfs/dbraw/zinc/78/83/40/288788340.db2.gz PTNZIDKYTORFJZ-CYBMUJFWSA-N 1 0 333.392 1.680 20 5 EDBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290589596 288921349 /nfs/dbraw/zinc/92/13/49/288921349.db2.gz XFGLFNHCCVQYQD-RYUDHWBXSA-N 1 0 335.408 1.869 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc([N+](=O)[O-])c1OC ZINC000293254313 289562969 /nfs/dbraw/zinc/56/29/69/289562969.db2.gz FVZGPILGRNSRKR-JQWIXIFHSA-N 1 0 335.360 1.436 20 5 EDBDRO Cc1ccnc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000367199826 292778597 /nfs/dbraw/zinc/77/85/97/292778597.db2.gz FJNKSCOQKNSVQT-GJZGRUSLSA-N 1 0 333.436 1.760 20 5 EDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000247669782 290240495 /nfs/dbraw/zinc/24/04/95/290240495.db2.gz ZFWHBYMYIWHWFY-WFASDCNBSA-N 1 0 339.417 1.700 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000237190598 295028063 /nfs/dbraw/zinc/02/80/63/295028063.db2.gz YMYIKUAKYYGYCA-PWSUYJOCSA-N 1 0 343.405 1.494 20 5 EDBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000420001416 304724454 /nfs/dbraw/zinc/72/44/54/304724454.db2.gz RGQWDKMHAMNWNF-KRWDZBQOSA-N 1 0 337.420 1.691 20 5 EDBDRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000420424997 304756969 /nfs/dbraw/zinc/75/69/69/304756969.db2.gz INEGGBXZHMUCHB-CYBMUJFWSA-N 1 0 341.433 1.528 20 5 EDBDRO [NH3+]C[C@H]1CCCCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420425437 304756889 /nfs/dbraw/zinc/75/68/89/304756889.db2.gz UHGYGHXNMKXZNA-CQSZACIVSA-N 1 0 327.406 1.280 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCC[C@H]1CCC[NH2+]1 ZINC000420441640 304758566 /nfs/dbraw/zinc/75/85/66/304758566.db2.gz XVRICROMSWONPN-CYBMUJFWSA-N 1 0 327.406 1.199 20 5 EDBDRO C[C@@H]1[NH2+]CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000420443193 304758819 /nfs/dbraw/zinc/75/88/19/304758819.db2.gz YYFGZIUNYAIFGJ-RYUDHWBXSA-N 1 0 327.406 1.149 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000420466436 304761843 /nfs/dbraw/zinc/76/18/43/304761843.db2.gz RKBXIIOTVFOPHE-SECBINFHSA-N 1 0 337.348 1.472 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261975674 302043106 /nfs/dbraw/zinc/04/31/06/302043106.db2.gz QPROZBPHIZVLKP-NWDGAFQWSA-N 1 0 327.406 1.651 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000294804072 303147383 /nfs/dbraw/zinc/14/73/83/303147383.db2.gz FITGDBIHWYBYFV-UHFFFAOYSA-N 1 0 342.371 1.108 20 5 EDBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[NH+](C[C@H](C)O)CC1 ZINC000295139400 303178034 /nfs/dbraw/zinc/17/80/34/303178034.db2.gz ZFSFEEABZVSTGZ-LBPRGKRZSA-N 1 0 346.387 1.654 20 5 EDBDRO CC(C)(C(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000295602277 303240555 /nfs/dbraw/zinc/24/05/55/303240555.db2.gz XEGWBWUVYGDVLM-OAHLLOKOSA-N 1 0 349.431 1.835 20 5 EDBDRO C[C@H]1CSC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000296349955 303312530 /nfs/dbraw/zinc/31/25/30/303312530.db2.gz IYIKFXBJOVRYEC-GXFFZTMASA-N 1 0 345.446 1.214 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NCC[NH+]2CCCCC2)cc1 ZINC000298863894 303563563 /nfs/dbraw/zinc/56/35/63/303563563.db2.gz RRAUGIROGWLLJO-UHFFFAOYSA-N 1 0 327.406 1.500 20 5 EDBDRO C[C@@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@]1(C)C[NH3+] ZINC000423987013 304922840 /nfs/dbraw/zinc/92/28/40/304922840.db2.gz UXQSNMOVLUGESN-PIGZYNQJSA-N 1 0 349.387 1.352 20 5 EDBDRO COc1cc(S(=O)(=O)N[C@H](C)CCCC[NH3+])ccc1[N+](=O)[O-] ZINC000427959409 305002324 /nfs/dbraw/zinc/00/23/24/305002324.db2.gz QQFVDJFPTZOVKK-SNVBAGLBSA-N 1 0 331.394 1.399 20 5 EDBDRO Cc1c(NC(=O)CCN2CC[C@H]3[NH2+]CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000428030305 305004272 /nfs/dbraw/zinc/00/42/72/305004272.db2.gz HRUXYNJFCJLBHA-UKRRQHHQSA-N 1 0 332.404 1.916 20 5 EDBDRO O=C(CN1CC[C@@H]2[NH2+]CC[C@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000428033392 305004611 /nfs/dbraw/zinc/00/46/11/305004611.db2.gz MNPAOAZZAXCYDK-JQWIXIFHSA-N 1 0 338.795 1.871 20 5 EDBDRO CC(C)([NH2+]CCN1CCCS1(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000429242948 305026294 /nfs/dbraw/zinc/02/62/94/305026294.db2.gz AYXXTNMHKBCVOG-UHFFFAOYSA-N 1 0 327.406 1.455 20 5 EDBDRO C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000440418175 305206280 /nfs/dbraw/zinc/20/62/80/305206280.db2.gz RWIUKUZRUBCQAJ-WPRPVWTQSA-N 1 0 333.797 1.606 20 5 EDBDRO C[C@@H]1CCCN1C(=O)CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440491699 305207941 /nfs/dbraw/zinc/20/79/41/305207941.db2.gz RQBXSVUKJPDXBY-ZIAGYGMSSA-N 1 0 347.419 1.877 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000440831277 305213120 /nfs/dbraw/zinc/21/31/20/305213120.db2.gz ICWNDBABBRRNDA-NEPJUHHUSA-N 1 0 327.406 1.569 20 5 EDBDRO COc1cc(C(=O)NC[C@H](C)C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000441605493 305222899 /nfs/dbraw/zinc/22/28/99/305222899.db2.gz SFSRCHHIKMQWRL-SSDOTTSWSA-N 1 0 333.291 1.529 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000447507878 305280850 /nfs/dbraw/zinc/28/08/50/305280850.db2.gz JAMKCADPBZXYTM-CMPLNLGQSA-N 1 0 335.360 1.165 20 5 EDBDRO CCOc1cc(C(=O)N[C@@H](CC[NH3+])C(F)F)c([N+](=O)[O-])cc1OC ZINC000449610378 305315415 /nfs/dbraw/zinc/31/54/15/305315415.db2.gz GIYIUDNYAGZOEC-VIFPVBQESA-N 1 0 347.318 1.714 20 5 EDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449695391 305317311 /nfs/dbraw/zinc/31/73/11/305317311.db2.gz IAHJUTXKFYMPQH-VXGBXAGGSA-N 1 0 343.387 1.933 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000451880341 305371598 /nfs/dbraw/zinc/37/15/98/305371598.db2.gz VRTSNJZIEPZLCR-OCCSQVGLSA-N 1 0 325.390 1.061 20 5 EDBDRO CNc1c(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cccc1[N+](=O)[O-] ZINC000452376046 305394814 /nfs/dbraw/zinc/39/48/14/305394814.db2.gz KEOHIPWHODDIRS-LBPRGKRZSA-N 1 0 336.392 1.213 20 5 EDBDRO COc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000452395142 305397834 /nfs/dbraw/zinc/39/78/34/305397834.db2.gz WDUHBDFPKTYRQS-CYBMUJFWSA-N 1 0 337.376 1.180 20 5 EDBDRO C[C@H](CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])C[NH+](C)C ZINC000489010124 305560939 /nfs/dbraw/zinc/56/09/39/305560939.db2.gz VNOFHFNWGSQTQF-LLVKDONJSA-N 1 0 344.437 1.455 20 5 EDBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000517030296 305746700 /nfs/dbraw/zinc/74/67/00/305746700.db2.gz RJUUOEOONAABBR-LBPRGKRZSA-N 1 0 340.405 1.143 20 5 EDBDRO CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@@H+]1CCOC ZINC000535757667 306016932 /nfs/dbraw/zinc/01/69/32/306016932.db2.gz AJPKIEKNDOVAOJ-ZDUSSCGKSA-N 1 0 338.408 1.506 20 5 EDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000535835067 306018005 /nfs/dbraw/zinc/01/80/05/306018005.db2.gz GBVPPZYQVXXUMJ-LBPRGKRZSA-N 1 0 348.403 1.899 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000548697569 306135402 /nfs/dbraw/zinc/13/54/02/306135402.db2.gz SBQSZSSBQVLVGG-LBPRGKRZSA-N 1 0 341.433 1.920 20 5 EDBDRO C[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000548698211 306135693 /nfs/dbraw/zinc/13/56/93/306135693.db2.gz IMQBMCUWZFSFDT-GFCCVEGCSA-N 1 0 327.406 1.499 20 5 EDBDRO NS(=O)(=O)c1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000555883192 306206709 /nfs/dbraw/zinc/20/67/09/306206709.db2.gz IVPUGGUZUSWPLW-SNVBAGLBSA-N 1 0 340.405 1.138 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000556935472 306221439 /nfs/dbraw/zinc/22/14/39/306221439.db2.gz FXQKEYYOBBKGBL-XFBWCDHKSA-N 1 0 349.387 1.624 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000449691560 447386504 /nfs/dbraw/zinc/38/65/04/447386504.db2.gz WYTUWQRATRGHCS-CYBMUJFWSA-N 1 0 333.388 1.731 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000044502308 440852053 /nfs/dbraw/zinc/85/20/53/440852053.db2.gz LLSHIHVPHGUCQQ-VIFPVBQESA-N 1 0 333.797 1.526 20 5 EDBDRO CC1CC[NH+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000045745097 441026876 /nfs/dbraw/zinc/02/68/76/441026876.db2.gz SIBFBHDKHYEMAR-UHFFFAOYSA-N 1 0 327.406 1.605 20 5 EDBDRO O=C(C[NH+]1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000016442224 441224781 /nfs/dbraw/zinc/22/47/81/441224781.db2.gz NJFDNKCEPNCMFR-UHFFFAOYSA-N 1 0 332.404 1.729 20 5 EDBDRO Cc1cc(C)n(CC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000072665201 441247783 /nfs/dbraw/zinc/24/77/83/441247783.db2.gz NTZUUUKZYNTIFW-CQSZACIVSA-N 1 0 330.392 1.990 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000073082939 441290852 /nfs/dbraw/zinc/29/08/52/441290852.db2.gz PPQMRAIHWZTMGB-UHFFFAOYSA-N 1 0 349.387 1.463 20 5 EDBDRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000062587141 441305607 /nfs/dbraw/zinc/30/56/07/441305607.db2.gz VPBVDQSAPMCYOB-SECBINFHSA-N 1 0 342.783 1.643 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1[N+](=O)[O-] ZINC000073988792 441378825 /nfs/dbraw/zinc/37/88/25/441378825.db2.gz ZIBNEBLGMUBXQB-KGLIPLIRSA-N 1 0 335.408 1.493 20 5 EDBDRO C[NH+](C)C1(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCCC1 ZINC000051964550 441429895 /nfs/dbraw/zinc/42/98/95/441429895.db2.gz YRADVLKEIYLXMR-UHFFFAOYSA-N 1 0 342.421 1.529 20 5 EDBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1 ZINC000109276432 441493170 /nfs/dbraw/zinc/49/31/70/441493170.db2.gz MKBDIFQCTSEJCR-GFCCVEGCSA-N 1 0 346.391 1.432 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000075712041 441550195 /nfs/dbraw/zinc/55/01/95/441550195.db2.gz BLXNGBJTMUJFFS-ZBFHGGJFSA-N 1 0 337.424 1.103 20 5 EDBDRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000419836617 447440867 /nfs/dbraw/zinc/44/08/67/447440867.db2.gz ZLLHTEKXXGTPKR-NEPJUHHUSA-N 1 0 334.319 1.808 20 5 EDBDRO Cc1n[nH]c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000089393364 441545763 /nfs/dbraw/zinc/54/57/63/441545763.db2.gz LTGDMIHNGLKWJC-UHFFFAOYSA-N 1 0 344.375 1.668 20 5 EDBDRO CC[NH2+]CCCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000036299414 441606382 /nfs/dbraw/zinc/60/63/82/441606382.db2.gz HBWKRSHNNIKUBA-UHFFFAOYSA-N 1 0 335.813 1.835 20 5 EDBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067136860 441608776 /nfs/dbraw/zinc/60/87/76/441608776.db2.gz QUHBBFGDHGBEDM-LBPRGKRZSA-N 1 0 346.391 1.636 20 5 EDBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000113900844 441626361 /nfs/dbraw/zinc/62/63/61/441626361.db2.gz CPWAMNMZFCGVQO-GJZGRUSLSA-N 1 0 349.435 1.904 20 5 EDBDRO C[N@@H+](CCC(=O)OC(C)(C)C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552268 441634026 /nfs/dbraw/zinc/63/40/26/441634026.db2.gz UIDURRIOSGNWLQ-UHFFFAOYSA-N 1 0 325.365 1.420 20 5 EDBDRO CN1C(=O)NC2(CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000090005828 441613199 /nfs/dbraw/zinc/61/31/99/441613199.db2.gz ZHFZUEKEGFFHIG-UHFFFAOYSA-N 1 0 332.360 1.154 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000041668580 441667603 /nfs/dbraw/zinc/66/76/03/441667603.db2.gz FYBVTQNERMWQMW-LBPRGKRZSA-N 1 0 348.403 1.690 20 5 EDBDRO CCN1CC[NH+](CCCCNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000042595091 441757971 /nfs/dbraw/zinc/75/79/71/441757971.db2.gz MTBJZCKKSGHFNU-UHFFFAOYSA-N 1 0 348.447 1.671 20 5 EDBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000173917129 441862359 /nfs/dbraw/zinc/86/23/59/441862359.db2.gz SCEQFFFLEGVQFV-ZDUSSCGKSA-N 1 0 341.433 1.947 20 5 EDBDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc([N+](=O)[O-])o1 ZINC000160723535 441913181 /nfs/dbraw/zinc/91/31/81/441913181.db2.gz HEIMUZZCTXYHQF-CHWSQXEVSA-N 1 0 337.376 1.686 20 5 EDBDRO C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000119112939 441917479 /nfs/dbraw/zinc/91/74/79/441917479.db2.gz RULFRRUARXNFJY-CABZTGNLSA-N 1 0 327.768 1.697 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000069469765 441945158 /nfs/dbraw/zinc/94/51/58/441945158.db2.gz QDEUVNFWKFTXHC-CQSZACIVSA-N 1 0 348.403 1.757 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000069506061 441957625 /nfs/dbraw/zinc/95/76/25/441957625.db2.gz RTZCJRYGGAMYKX-LLVKDONJSA-N 1 0 327.406 1.805 20 5 EDBDRO Cc1nc(NCCCC[NH+]2CCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000150834939 441959931 /nfs/dbraw/zinc/95/99/31/441959931.db2.gz JWWKPLHYYKCHRD-UHFFFAOYSA-N 1 0 337.424 1.100 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1C ZINC000124878835 441961852 /nfs/dbraw/zinc/96/18/52/441961852.db2.gz OPMNIBAYSSNLOZ-RYUDHWBXSA-N 1 0 327.406 1.760 20 5 EDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000161309522 441983027 /nfs/dbraw/zinc/98/30/27/441983027.db2.gz PXSGAKPIBKAIMH-NWDGAFQWSA-N 1 0 329.360 1.780 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000161663558 442022382 /nfs/dbraw/zinc/02/23/82/442022382.db2.gz AGTYZSYGBQQUTG-UHFFFAOYSA-N 1 0 343.387 1.507 20 5 EDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161684501 442024807 /nfs/dbraw/zinc/02/48/07/442024807.db2.gz MRNDWCOGCRTTEU-ZDUSSCGKSA-N 1 0 338.412 1.307 20 5 EDBDRO Cc1c(CC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000125723009 442043516 /nfs/dbraw/zinc/04/35/16/442043516.db2.gz IXDKPZHOSHILGH-CHWSQXEVSA-N 1 0 335.404 1.359 20 5 EDBDRO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000120547532 442092921 /nfs/dbraw/zinc/09/29/21/442092921.db2.gz MNQFFONPMLSMPE-CYBMUJFWSA-N 1 0 345.359 1.875 20 5 EDBDRO CC(C)[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000161971833 442049790 /nfs/dbraw/zinc/04/97/90/442049790.db2.gz HOXRMPDQIHNHSW-OAHLLOKOSA-N 1 0 341.433 1.897 20 5 EDBDRO COC(=O)C(C)(C)C[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000151797529 442121237 /nfs/dbraw/zinc/12/12/37/442121237.db2.gz OMQHBPSMBQFWCQ-ZDUSSCGKSA-N 1 0 335.360 1.489 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175851652 442134095 /nfs/dbraw/zinc/13/40/95/442134095.db2.gz ODPYOIACDBKCID-UHFFFAOYSA-N 1 0 349.387 1.297 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000163028715 442139112 /nfs/dbraw/zinc/13/91/12/442139112.db2.gz OZNODOQFDLUOGM-RYUDHWBXSA-N 1 0 337.376 1.947 20 5 EDBDRO O=C(NCCC[NH+]1CCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000170917943 442288509 /nfs/dbraw/zinc/28/85/09/442288509.db2.gz VWKWKPIPBLVQFS-UHFFFAOYSA-N 1 0 343.387 1.996 20 5 EDBDRO Cc1c(CC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000132121762 442387650 /nfs/dbraw/zinc/38/76/50/442387650.db2.gz FRZPLOVFPXBFMD-MRXNPFEDSA-N 1 0 349.431 1.655 20 5 EDBDRO CC(C)([NH2+]CCn1ccc([N+](=O)[O-])n1)C(=O)NCC1CCCCC1 ZINC000155338955 442388447 /nfs/dbraw/zinc/38/84/47/442388447.db2.gz OMUOZFIJYOQOBW-UHFFFAOYSA-N 1 0 337.424 1.856 20 5 EDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178085573 442406733 /nfs/dbraw/zinc/40/67/33/442406733.db2.gz XANIAJACQFMFPE-DWTRPJMMSA-N 1 0 345.399 1.789 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000178630038 442449684 /nfs/dbraw/zinc/44/96/84/442449684.db2.gz PNOXYAHLCINRAZ-QWHCGFSZSA-N 1 0 348.403 1.710 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)n1 ZINC000191780594 442509986 /nfs/dbraw/zinc/50/99/86/442509986.db2.gz XTPNLPMBLCOGNL-CQSZACIVSA-N 1 0 345.403 1.714 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000156454225 442482504 /nfs/dbraw/zinc/48/25/04/442482504.db2.gz CSXYQAHMFOSXHA-MNOVXSKESA-N 1 0 344.371 1.636 20 5 EDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H](c1ccccc1)[NH+](C)C ZINC000186485887 442544150 /nfs/dbraw/zinc/54/41/50/442544150.db2.gz ZZZVTNCWVLZALV-NHYWBVRUSA-N 1 0 343.387 1.993 20 5 EDBDRO C[C@@H](O)CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000157122495 442551111 /nfs/dbraw/zinc/55/11/11/442551111.db2.gz ZVUAFQPHJMUIOX-VXGBXAGGSA-N 1 0 339.367 1.190 20 5 EDBDRO [NH3+]C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000192028494 442574150 /nfs/dbraw/zinc/57/41/50/442574150.db2.gz KDTFVSPGIDFZDU-CQSZACIVSA-N 1 0 327.406 1.532 20 5 EDBDRO Cc1nn(CCC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000173045248 442594143 /nfs/dbraw/zinc/59/41/43/442594143.db2.gz HSJLBNGJXQEJCL-ZDUSSCGKSA-N 1 0 339.440 1.891 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3nnc(C4CC4)[nH]3)C2)nc1 ZINC000180431713 442601822 /nfs/dbraw/zinc/60/18/22/442601822.db2.gz GQEQRBRUIZVQAS-NSHDSACASA-N 1 0 329.364 1.672 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2cncs2)cc1 ZINC000135972279 442643000 /nfs/dbraw/zinc/64/30/00/442643000.db2.gz TUXRMLBOPSDORP-UHFFFAOYSA-N 1 0 342.402 1.119 20 5 EDBDRO [NH3+][C@@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000158148410 442650053 /nfs/dbraw/zinc/65/00/53/442650053.db2.gz SOMZCFMFAKCGRF-LLVKDONJSA-N 1 0 327.768 1.967 20 5 EDBDRO C[NH+](C)Cc1cc(CNC(=O)c2cc([N+](=O)[O-])cnc2N)ccc1F ZINC000180566701 442623815 /nfs/dbraw/zinc/62/38/15/442623815.db2.gz VIFXRLHRUWKDSC-UHFFFAOYSA-N 1 0 347.350 1.703 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173213594 442626286 /nfs/dbraw/zinc/62/62/86/442626286.db2.gz GSWOIRFSFFZABU-AWEZNQCLSA-N 1 0 330.344 1.006 20 5 EDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000187712144 442687767 /nfs/dbraw/zinc/68/77/67/442687767.db2.gz NXOIUTYXIJLXMW-CQSZACIVSA-N 1 0 337.420 1.880 20 5 EDBDRO COc1cc(CN2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000192821677 442689934 /nfs/dbraw/zinc/68/99/34/442689934.db2.gz ZZRMCIZZVCMHAS-VXGBXAGGSA-N 1 0 341.383 1.629 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000192844713 442692105 /nfs/dbraw/zinc/69/21/05/442692105.db2.gz GRVXMHKPQDNDMO-LLVKDONJSA-N 1 0 325.413 1.401 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H]3C[N@@H+](C)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000192917175 442697641 /nfs/dbraw/zinc/69/76/41/442697641.db2.gz OQDGWVZFXBMORF-TXEJJXNPSA-N 1 0 325.390 1.085 20 5 EDBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(-n2ccnn2)cc1 ZINC000182007704 442727446 /nfs/dbraw/zinc/72/74/46/442727446.db2.gz CWXPFTZNXJNOSA-GFCCVEGCSA-N 1 0 327.348 1.723 20 5 EDBDRO CC1(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]CC1 ZINC000193366280 442736524 /nfs/dbraw/zinc/73/65/24/442736524.db2.gz RIHKLNRJUSECLD-UHFFFAOYSA-N 1 0 329.360 1.652 20 5 EDBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000188310554 442736919 /nfs/dbraw/zinc/73/69/19/442736919.db2.gz QZACBRRGMXWVEE-UHFFFAOYSA-N 1 0 344.371 1.899 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000193416788 442740621 /nfs/dbraw/zinc/74/06/21/442740621.db2.gz IZPUNRDWGAVYQT-KCJUWKMLSA-N 1 0 347.368 1.019 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000193601394 442758198 /nfs/dbraw/zinc/75/81/98/442758198.db2.gz GRSONXHWKMOECQ-MELADBBJSA-N 1 0 332.404 1.724 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000193624740 442760804 /nfs/dbraw/zinc/76/08/04/442760804.db2.gz PGTGZNUYSZKKFB-ZUZCIYMTSA-N 1 0 334.376 1.346 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCC[NH+]2CCCC2)cc1C ZINC000193703813 442769156 /nfs/dbraw/zinc/76/91/56/442769156.db2.gz FYHHZXMBXMCOTA-UHFFFAOYSA-N 1 0 341.433 1.976 20 5 EDBDRO C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182864474 442839014 /nfs/dbraw/zinc/83/90/14/442839014.db2.gz URHBCGCJFXXQJJ-NWDGAFQWSA-N 1 0 335.408 1.711 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000268160604 442877025 /nfs/dbraw/zinc/87/70/25/442877025.db2.gz JFWPQKAHTDRNQX-YGRLFVJLSA-N 1 0 332.360 1.132 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000268248195 442917198 /nfs/dbraw/zinc/91/71/98/442917198.db2.gz WLWIALCUSIZSHQ-IINYFYTJSA-N 1 0 337.351 1.712 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000184215591 318532984 /nfs/dbraw/zinc/53/29/84/318532984.db2.gz LPYDTYHNUKSNIY-UHFFFAOYSA-N 1 0 336.392 1.043 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+](C)C ZINC000268307743 442941280 /nfs/dbraw/zinc/94/12/80/442941280.db2.gz YLBCOQAZLKFQTD-BXKDBHETSA-N 1 0 347.824 1.819 20 5 EDBDRO CC(C)C[C@@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])[NH+](C)C ZINC000183747122 442959564 /nfs/dbraw/zinc/95/95/64/442959564.db2.gz MTJRKUZSLBHHHU-NSHDSACASA-N 1 0 344.437 1.630 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000265925618 442971479 /nfs/dbraw/zinc/97/14/79/442971479.db2.gz DGZPMCHIVMOXAF-UHFFFAOYSA-N 1 0 337.376 1.780 20 5 EDBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000189525295 442972744 /nfs/dbraw/zinc/97/27/44/442972744.db2.gz AGBPDLYDZJBVQA-RISCZKNCSA-N 1 0 346.387 1.784 20 5 EDBDRO CC(C)(C)OC(=O)N1C[C@H]2CN(Cn3nccc3[N+](=O)[O-])C[C@H]2C1 ZINC000195178448 442993462 /nfs/dbraw/zinc/99/34/62/442993462.db2.gz KTKWTNROMZLGEY-TXEJJXNPSA-N 1 0 337.380 1.548 20 5 EDBDRO O=C(NC1CC1)c1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000266298953 443090280 /nfs/dbraw/zinc/09/02/80/443090280.db2.gz YBNQNLQYZXTLHM-HNNXBMFYSA-N 1 0 342.399 1.938 20 5 EDBDRO NC(=O)c1cc([C@H]2CCCN(Cc3csc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000266214661 443060952 /nfs/dbraw/zinc/06/09/52/443060952.db2.gz QSWNBHSDNXYSLV-JTQLQIEISA-N 1 0 335.389 1.858 20 5 EDBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC000266441751 443127538 /nfs/dbraw/zinc/12/75/38/443127538.db2.gz MUVHSFPRUOWNHG-JOYOIKCWSA-N 1 0 326.303 1.781 20 5 EDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237833034 443183281 /nfs/dbraw/zinc/18/32/81/443183281.db2.gz RMZLYWXFCNIHJI-NOZJJQNGSA-N 1 0 330.344 1.294 20 5 EDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCc2ccccc2C1 ZINC000266507295 443150398 /nfs/dbraw/zinc/15/03/98/443150398.db2.gz CFZPCSGYZWLGSV-DOTOQJQBSA-N 1 0 330.388 1.642 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185207501 443160871 /nfs/dbraw/zinc/16/08/71/443160871.db2.gz OOWUUKZUNLNZAA-UHFFFAOYSA-N 1 0 336.392 1.839 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCC(CC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000320410377 318939633 /nfs/dbraw/zinc/93/96/33/318939633.db2.gz HPTBYQLASQIDCP-UHFFFAOYSA-N 1 0 343.405 1.353 20 5 EDBDRO O=C(NC1CC[NH2+]CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000269118249 443202907 /nfs/dbraw/zinc/20/29/07/443202907.db2.gz PGOKXYAECJBOMU-UHFFFAOYSA-N 1 0 328.166 1.839 20 5 EDBDRO C[C@@H]1[NH2+]CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H]1C ZINC000262771364 443211681 /nfs/dbraw/zinc/21/16/81/443211681.db2.gz MFNZOVLITUZHMJ-IUCAKERBSA-N 1 0 333.797 1.619 20 5 EDBDRO CSCC1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000385804034 319128570 /nfs/dbraw/zinc/12/85/70/319128570.db2.gz HCULWPSMTQNHHT-YIZWMMSDSA-N 1 0 328.438 1.664 20 5 EDBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000411070842 319164495 /nfs/dbraw/zinc/16/44/95/319164495.db2.gz HTRRTMHUXYLDSY-UHFFFAOYSA-N 1 0 334.420 1.741 20 5 EDBDRO COC(=O)[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000411922862 319214622 /nfs/dbraw/zinc/21/46/22/319214622.db2.gz VJCJHLQGYZEEMI-LLVKDONJSA-N 1 0 341.795 1.785 20 5 EDBDRO CC[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000264318580 443260538 /nfs/dbraw/zinc/26/05/38/443260538.db2.gz JDBAPQVVYLDNNZ-WDEREUQCSA-N 1 0 339.421 1.585 20 5 EDBDRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185804266 443260650 /nfs/dbraw/zinc/26/06/50/443260650.db2.gz WQMSGAKFHKUOBF-LBPRGKRZSA-N 1 0 327.406 1.557 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185888196 443276456 /nfs/dbraw/zinc/27/64/56/443276456.db2.gz BFEOCFIVGPHFMZ-ZDUSSCGKSA-N 1 0 327.406 1.700 20 5 EDBDRO C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000185932735 443286758 /nfs/dbraw/zinc/28/67/58/443286758.db2.gz OOJZUVMRYZLGCD-NSHDSACASA-N 1 0 329.422 1.849 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000264472735 443303926 /nfs/dbraw/zinc/30/39/26/443303926.db2.gz GRHOQEQARCDSGU-CQSZACIVSA-N 1 0 348.403 1.620 20 5 EDBDRO CCc1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000266976714 443307386 /nfs/dbraw/zinc/30/73/86/443307386.db2.gz YEZIGPOMTZGPKG-CQSZACIVSA-N 1 0 348.403 1.227 20 5 EDBDRO C[NH+](C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CCSC1 ZINC000267092205 443338949 /nfs/dbraw/zinc/33/89/49/443338949.db2.gz IQEZOIFHHVRQHP-CQSZACIVSA-N 1 0 327.381 1.901 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000264459557 443298854 /nfs/dbraw/zinc/29/88/54/443298854.db2.gz XRMNJZVALBLYOE-UHFFFAOYSA-N 1 0 341.433 1.967 20 5 EDBDRO C[C@H]1C[N@H+](CCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCCO1 ZINC000278601956 443374970 /nfs/dbraw/zinc/37/49/70/443374970.db2.gz QXYZLGAZTZJJTH-LBPRGKRZSA-N 1 0 339.367 1.965 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000267328214 443419805 /nfs/dbraw/zinc/41/98/05/443419805.db2.gz FRKWJAJTTHZBQK-CQSZACIVSA-N 1 0 333.388 1.698 20 5 EDBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2c(N)cccc2[N+](=O)[O-])CCCO1 ZINC000278800381 443444197 /nfs/dbraw/zinc/44/41/97/443444197.db2.gz ZCODZKKFTQARKC-GFCCVEGCSA-N 1 0 336.392 1.408 20 5 EDBDRO O=[N+]([O-])c1c(N2CC[NH+](C[C@@H]3CCOC3)CC2)nc2sccn21 ZINC000267425056 443452999 /nfs/dbraw/zinc/45/29/99/443452999.db2.gz VIUVPULWMQLGKW-NSHDSACASA-N 1 0 337.405 1.463 20 5 EDBDRO O=C1CC[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C2(CCC2)N1 ZINC000282925092 443471010 /nfs/dbraw/zinc/47/10/10/443471010.db2.gz YPHMETFKSMUAOT-DZGCQCFKSA-N 1 0 349.387 1.125 20 5 EDBDRO C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000273000941 443515142 /nfs/dbraw/zinc/51/51/42/443515142.db2.gz PDYHNSPWVWMMPE-IAQYHMDHSA-N 1 0 334.376 1.544 20 5 EDBDRO COC(=O)c1cnc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286177812 443662786 /nfs/dbraw/zinc/66/27/86/443662786.db2.gz AIFDECUMOFNCOG-WCQYABFASA-N 1 0 334.376 1.839 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1C[NH2+]CCCO1 ZINC000449711066 320201099 /nfs/dbraw/zinc/20/10/99/320201099.db2.gz NSQGDOVCHVDLSR-GFCCVEGCSA-N 1 0 327.768 1.285 20 5 EDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000449749264 320204430 /nfs/dbraw/zinc/20/44/30/320204430.db2.gz OYKDOGGJDRWHKH-ZDUSSCGKSA-N 1 0 330.348 1.046 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000452121980 320243353 /nfs/dbraw/zinc/24/33/53/320243353.db2.gz UEVLSMJBCSOLME-HZPDHXFCSA-N 1 0 337.420 1.749 20 5 EDBDRO COC(=O)c1cc(C(=O)NCCCC[N@H+](C)C2CC2)cc([N+](=O)[O-])c1 ZINC000457191041 320322438 /nfs/dbraw/zinc/32/24/38/320322438.db2.gz WMKVDEUETPAINB-UHFFFAOYSA-N 1 0 349.387 1.986 20 5 EDBDRO C[C@H](CO[C@H]1CCOC1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000515165544 320431646 /nfs/dbraw/zinc/43/16/46/320431646.db2.gz BISJNXJEPRDEMB-OLZOCXBDSA-N 1 0 337.376 1.707 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000516554045 320438072 /nfs/dbraw/zinc/43/80/72/320438072.db2.gz MQBIYLQPDZPRGB-BYCMXARLSA-N 1 0 334.376 1.352 20 5 EDBDRO C[N@H+](CCCO)C1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000276636257 443773978 /nfs/dbraw/zinc/77/39/78/443773978.db2.gz XANSQMIDVDZEFA-UHFFFAOYSA-N 1 0 334.420 1.846 20 5 EDBDRO CCCc1n[nH]c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288265194 443824926 /nfs/dbraw/zinc/82/49/26/443824926.db2.gz GSDRHPNRVHOEBJ-RYUDHWBXSA-N 1 0 335.408 1.969 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000285082096 443848017 /nfs/dbraw/zinc/84/80/17/443848017.db2.gz DAOCEGLXXSYBDA-KBPBESRZSA-N 1 0 339.779 1.793 20 5 EDBDRO COC1(C[C@H](C)[NH2+][C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000277232385 443943963 /nfs/dbraw/zinc/94/39/63/443943963.db2.gz YVEGHCMSYIEHJW-RCBQFDQVSA-N 1 0 338.404 1.926 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2CC[NH+](C)CC2)cc1C ZINC000299078206 443947908 /nfs/dbraw/zinc/94/79/08/443947908.db2.gz QDLXAYYTAJOVBP-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285246326 443911446 /nfs/dbraw/zinc/91/14/46/443911446.db2.gz LOYUHNVKIXZYRF-NSNJOPQOSA-N 1 0 345.399 1.930 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000548369393 320877624 /nfs/dbraw/zinc/87/76/24/320877624.db2.gz QTGUGFVOPFTIGA-LLVKDONJSA-N 1 0 343.405 1.366 20 5 EDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NCC[NH+](C)C ZINC000552310919 320925914 /nfs/dbraw/zinc/92/59/14/320925914.db2.gz OPQUMPQZXPEJNZ-SECBINFHSA-N 1 0 342.783 1.044 20 5 EDBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285650113 444060285 /nfs/dbraw/zinc/06/02/85/444060285.db2.gz SHQONAZZFACUQO-UHFFFAOYSA-N 1 0 333.348 1.648 20 5 EDBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])cn1C)CCC(F)(F)F ZINC000562337538 321052339 /nfs/dbraw/zinc/05/23/39/321052339.db2.gz QBCQDUNDOWDVSO-UHFFFAOYSA-N 1 0 336.314 1.937 20 5 EDBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@@H]1C[NH3+] ZINC000565769489 321200347 /nfs/dbraw/zinc/20/03/47/321200347.db2.gz XYJXEKQVZHGGIR-MNOVXSKESA-N 1 0 335.360 1.423 20 5 EDBDRO COc1ccc(C[C@@H](C)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000566113650 321216672 /nfs/dbraw/zinc/21/66/72/321216672.db2.gz UFIMVRQANRFEQL-CJNGLKHVSA-N 1 0 348.403 1.629 20 5 EDBDRO CCc1ccc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000566164586 321220196 /nfs/dbraw/zinc/22/01/96/321220196.db2.gz FSNTUCDNRUFDBE-NSHDSACASA-N 1 0 329.422 1.633 20 5 EDBDRO C[NH+](C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1O ZINC000566452305 321231609 /nfs/dbraw/zinc/23/16/09/321231609.db2.gz GNDOMZLRVOHYDY-RYUDHWBXSA-N 1 0 347.293 1.361 20 5 EDBDRO CC(=O)c1cccc(OC[C@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000567688194 321252476 /nfs/dbraw/zinc/25/24/76/321252476.db2.gz KPILSDWZYXWTBC-OAHLLOKOSA-N 1 0 348.359 1.023 20 5 EDBDRO C[NH+](C)CCCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000285769962 444102612 /nfs/dbraw/zinc/10/26/12/444102612.db2.gz XWYIKMAVQZIPNR-UHFFFAOYSA-N 1 0 347.375 1.578 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCC[C@@H]2CCCC[C@@H]2O)c1 ZINC000570212527 321341179 /nfs/dbraw/zinc/34/11/79/321341179.db2.gz PIAXPQYXXAJGFB-CFVMTHIKSA-N 1 0 326.397 1.073 20 5 EDBDRO C[NH+](C)CCn1ccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)n1 ZINC000570812711 321359219 /nfs/dbraw/zinc/35/92/19/321359219.db2.gz BTVYUBGOZAXMMR-UHFFFAOYSA-N 1 0 331.376 1.325 20 5 EDBDRO C[NH+](C)C1CCC(Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000571273924 321382240 /nfs/dbraw/zinc/38/22/40/321382240.db2.gz HFTFYRAAOBXUND-UHFFFAOYSA-N 1 0 342.421 1.527 20 5 EDBDRO Cc1cnccc1CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573479279 321456001 /nfs/dbraw/zinc/45/60/01/321456001.db2.gz VCVXOWSNNHMQJE-UHFFFAOYSA-N 1 0 349.412 1.904 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000301280229 444161156 /nfs/dbraw/zinc/16/11/56/444161156.db2.gz NUGNTTWBWXUFPG-LBPRGKRZSA-N 1 0 348.403 1.607 20 5 EDBDRO COC(=O)c1cc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000301668572 444184409 /nfs/dbraw/zinc/18/44/09/444184409.db2.gz NEVGSTVGHUSVLY-UONOGXRCSA-N 1 0 335.360 1.209 20 5 EDBDRO C[NH+](C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H]1O ZINC000576120647 321544118 /nfs/dbraw/zinc/54/41/18/321544118.db2.gz LZTCNWWBMHGRHM-RYUDHWBXSA-N 1 0 347.293 1.361 20 5 EDBDRO COC(=O)c1cc(NC(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)cc([N+](=O)[O-])c1 ZINC000289702309 444192891 /nfs/dbraw/zinc/19/28/91/444192891.db2.gz TUSQHLHHGYCBQL-ZIAGYGMSSA-N 1 0 335.360 1.954 20 5 EDBDRO O=[N+]([O-])c1ccc(OCCN2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000304888317 444253775 /nfs/dbraw/zinc/25/37/75/444253775.db2.gz OKGVXZDTVYFSOG-SJORKVTESA-N 1 0 349.431 1.895 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000290362047 444271777 /nfs/dbraw/zinc/27/17/77/444271777.db2.gz GPDROAYLHGSKHN-AWEZNQCLSA-N 1 0 349.366 1.658 20 5 EDBDRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000296388113 444224851 /nfs/dbraw/zinc/22/48/51/444224851.db2.gz IOJASEUCYKCIHK-NSHDSACASA-N 1 0 341.795 1.825 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(CO)CC1 ZINC000304256644 444244429 /nfs/dbraw/zinc/24/44/29/444244429.db2.gz ZRSNAZQKEFSLAL-UHFFFAOYSA-N 1 0 335.360 1.597 20 5 EDBDRO CCS[C@@H]1CC[C@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304290105 444245594 /nfs/dbraw/zinc/24/55/94/444245594.db2.gz CCFBEGXKJTZMLO-IACUBPJLSA-N 1 0 328.438 1.758 20 5 EDBDRO O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000319670766 444325354 /nfs/dbraw/zinc/32/53/54/444325354.db2.gz CXWYOPMLARUFAH-UHFFFAOYSA-N 1 0 332.282 1.457 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC[C@@H]1[NH3+] ZINC000317204086 444314562 /nfs/dbraw/zinc/31/45/62/444314562.db2.gz IRUVZCXNYBNWFZ-AAEUAGOBSA-N 1 0 327.406 1.651 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCC[NH2+]C(C)C)c1C ZINC000314215033 444299056 /nfs/dbraw/zinc/29/90/56/444299056.db2.gz CMDXXBFAFMUTEM-UHFFFAOYSA-N 1 0 329.422 1.878 20 5 EDBDRO C[C@@H]1CCC[C@@](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)(N(C)C)C1 ZINC000324685281 444356564 /nfs/dbraw/zinc/35/65/64/444356564.db2.gz QPKDLUZHTDUAQY-VNQPRFMTSA-N 1 0 339.440 1.252 20 5 EDBDRO CC(C)C[C@H](C[NH3+])CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000327495741 444383401 /nfs/dbraw/zinc/38/34/01/444383401.db2.gz ZANRXYJXRMHONM-AWEZNQCLSA-N 1 0 349.435 1.650 20 5 EDBDRO CC(C)[NH+]1CCN(C2CCN(c3ccncc3[N+](=O)[O-])CC2)CC1 ZINC000340588133 444451237 /nfs/dbraw/zinc/45/12/37/444451237.db2.gz HISCCDHQRBMBQU-UHFFFAOYSA-N 1 0 333.436 1.985 20 5 EDBDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000340625333 444463890 /nfs/dbraw/zinc/46/38/90/444463890.db2.gz URYCBZFWXPUYTP-JJMVLAAESA-N 1 0 346.387 1.569 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@@H](C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000579423807 321931300 /nfs/dbraw/zinc/93/13/00/321931300.db2.gz IYGKXGANBMWLQJ-CYBMUJFWSA-N 1 0 341.433 1.974 20 5 EDBDRO CC(C)[NH2+]CCCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000580054143 322002509 /nfs/dbraw/zinc/00/25/09/322002509.db2.gz LAQWMBNZLKIAQJ-UHFFFAOYSA-N 1 0 349.435 1.815 20 5 EDBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000580432823 322050296 /nfs/dbraw/zinc/05/02/96/322050296.db2.gz FFIAOGCXQZWYJJ-MRXNPFEDSA-N 1 0 337.376 1.859 20 5 EDBDRO CO[C@@H]1COC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000581189378 322147370 /nfs/dbraw/zinc/14/73/70/322147370.db2.gz LWHBLNPMAPRNHJ-UKRRQHHQSA-N 1 0 333.344 1.796 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCC[C@@H](O)C2)cc1 ZINC000581726574 322214121 /nfs/dbraw/zinc/21/41/21/322214121.db2.gz SXCQAGDXHCOYGL-TZMCWYRMSA-N 1 0 342.417 1.509 20 5 EDBDRO CC[N@H+](CCCO)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000343762321 444572782 /nfs/dbraw/zinc/57/27/82/444572782.db2.gz FIXWXSXUCOZQGN-NSHDSACASA-N 1 0 325.365 1.635 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000341016047 444632971 /nfs/dbraw/zinc/63/29/71/444632971.db2.gz LGUJILNZNHIKTM-KGLIPLIRSA-N 1 0 348.403 1.982 20 5 EDBDRO CNC(=O)N[C@@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000342365792 444658420 /nfs/dbraw/zinc/65/84/20/444658420.db2.gz VQUNLWCYXKRHAZ-GFCCVEGCSA-N 1 0 349.391 1.235 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000343887083 444647356 /nfs/dbraw/zinc/64/73/56/444647356.db2.gz FKPUPCPAOGCHAJ-AAEUAGOBSA-N 1 0 336.392 1.885 20 5 EDBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000344029253 444738524 /nfs/dbraw/zinc/73/85/24/444738524.db2.gz BRQBDGUZENQZPS-UHFFFAOYSA-N 1 0 347.375 1.759 20 5 EDBDRO CCC[NH+]1CCC(Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000341371901 444799816 /nfs/dbraw/zinc/79/98/16/444799816.db2.gz MGBOHWXFTKHORJ-UHFFFAOYSA-N 1 0 331.376 2.530 20 5 EDBDRO C[C@]1(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCC[NH2+]C1 ZINC000342721772 444835251 /nfs/dbraw/zinc/83/52/51/444835251.db2.gz IIFCCHGHEHHSCL-KRWDZBQOSA-N 1 0 343.387 1.900 20 5 EDBDRO CC1CC[NH+](C[C@H](O)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000341583067 444906632 /nfs/dbraw/zinc/90/66/32/444906632.db2.gz DFINPVAUNZLXPI-OAHLLOKOSA-N 1 0 339.367 1.557 20 5 EDBDRO COC[C@@H]1C[C@@H](OC)C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000344370955 444924982 /nfs/dbraw/zinc/92/49/82/444924982.db2.gz PUEBMLTZCNHATL-OFQRWUPVSA-N 1 0 340.376 1.070 20 5 EDBDRO CCn1cc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000344423495 444959216 /nfs/dbraw/zinc/95/92/16/444959216.db2.gz RZQHBLODRUPAOQ-UHFFFAOYSA-N 1 0 330.392 1.919 20 5 EDBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C(N)=O)C1 ZINC000337399219 445062499 /nfs/dbraw/zinc/06/24/99/445062499.db2.gz GPWQRTCEFOOQNW-BXUZGUMPSA-N 1 0 334.376 1.509 20 5 EDBDRO C[C@H]1[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCC[N@@H+]1C ZINC000343473928 445229605 /nfs/dbraw/zinc/22/96/05/445229605.db2.gz CMQNVIOZAHMNAN-WFASDCNBSA-N 1 0 343.387 1.993 20 5 EDBDRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000362510875 445418167 /nfs/dbraw/zinc/41/81/67/445418167.db2.gz MLJQUGSTPQOUPW-CABCVRRESA-N 1 0 328.340 1.644 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1 ZINC000362455462 445391046 /nfs/dbraw/zinc/39/10/46/445391046.db2.gz SMMUOQMZCUJRRD-LXZKKBNFSA-N 1 0 336.388 1.835 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000362455461 445391087 /nfs/dbraw/zinc/39/10/87/445391087.db2.gz SMMUOQMZCUJRRD-FRFSOERESA-N 1 0 336.388 1.835 20 5 EDBDRO O=C(C[N@@H+]1CCC[C@@H]2COCC[C@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000362456395 445391476 /nfs/dbraw/zinc/39/14/76/445391476.db2.gz VKSSDYOIZLENRX-GDBMZVCRSA-N 1 0 345.399 1.985 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000360004056 445522969 /nfs/dbraw/zinc/52/29/69/445522969.db2.gz FPIPJMHQDMYUEU-UONOGXRCSA-N 1 0 339.417 1.570 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000360007890 445525452 /nfs/dbraw/zinc/52/54/52/445525452.db2.gz SIMPGPDSMYPGRA-UONOGXRCSA-N 1 0 339.417 1.570 20 5 EDBDRO C[NH+](C)CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000362945549 445621072 /nfs/dbraw/zinc/62/10/72/445621072.db2.gz QBYCTXZTAFPLHC-UHFFFAOYSA-N 1 0 326.422 1.366 20 5 EDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc([N+](=O)[O-])cc(F)c1F ZINC000363063170 445665422 /nfs/dbraw/zinc/66/54/22/445665422.db2.gz WDEHETQZBNVLBG-ONGXEEELSA-N 1 0 341.314 1.466 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000349773321 445673323 /nfs/dbraw/zinc/67/33/23/445673323.db2.gz FTRZIALTXUISRL-NSHDSACASA-N 1 0 345.421 1.610 20 5 EDBDRO Cc1ccc(C[NH2+]C2CCN(c3nnnn3C)CC2)cc1[N+](=O)[O-] ZINC000363488154 445826357 /nfs/dbraw/zinc/82/63/57/445826357.db2.gz JJBLOSDKMUJTCM-UHFFFAOYSA-N 1 0 331.380 1.185 20 5 EDBDRO CN(C)c1ncc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000356443803 445792153 /nfs/dbraw/zinc/79/21/53/445792153.db2.gz ADUASAZPUKBIBQ-UHFFFAOYSA-N 1 0 331.376 1.962 20 5 EDBDRO CC[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000363507400 445836891 /nfs/dbraw/zinc/83/68/91/445836891.db2.gz VWPUPOFZAAPSKC-FMKPAKJESA-N 1 0 337.424 1.101 20 5 EDBDRO C[NH+](C)CCN1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000363727061 445872419 /nfs/dbraw/zinc/87/24/19/445872419.db2.gz YJHAZBRTYDQRKZ-UHFFFAOYSA-N 1 0 327.816 1.717 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@@H](C)N(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000350837279 445924159 /nfs/dbraw/zinc/92/41/59/445924159.db2.gz SSJCHKGXUCLFAX-VXGBXAGGSA-N 1 0 327.406 1.616 20 5 EDBDRO C[NH+]1CCC(CCO)(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000354148122 445945556 /nfs/dbraw/zinc/94/55/56/445945556.db2.gz KJRLKWCEMLKEOJ-UHFFFAOYSA-N 1 0 341.795 1.825 20 5 EDBDRO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC[C@H]1[NH3+] ZINC000584230591 326224736 /nfs/dbraw/zinc/22/47/36/326224736.db2.gz NUILGEQXGOKVPY-GXTWGEPZSA-N 1 0 348.403 1.241 20 5 EDBDRO CCOc1cc(NCCC[N@@H+]2CCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000356849075 446067811 /nfs/dbraw/zinc/06/78/11/446067811.db2.gz FHBLRGCNVIUGTD-AWEZNQCLSA-N 1 0 336.392 1.745 20 5 EDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000356873345 446086860 /nfs/dbraw/zinc/08/68/60/446086860.db2.gz GZVQXOXYEOSYKW-NWDGAFQWSA-N 1 0 349.387 1.460 20 5 EDBDRO Cn1cnc2c1CCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000373265494 446133331 /nfs/dbraw/zinc/13/33/31/446133331.db2.gz BIAXNOUSFFVJDB-LBPRGKRZSA-N 1 0 332.360 1.126 20 5 EDBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000362026924 446163903 /nfs/dbraw/zinc/16/39/03/446163903.db2.gz NOYVVDQSDIROJV-NJZAAPMLSA-N 1 0 337.376 1.705 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000366357395 446171086 /nfs/dbraw/zinc/17/10/86/446171086.db2.gz QOARBCBEHFVNRY-STQMWFEESA-N 1 0 339.417 1.584 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CN2CCCC[C@H]2CO1 ZINC000365673366 446295751 /nfs/dbraw/zinc/29/57/51/446295751.db2.gz QMBLPPQKOGDMNW-KBPBESRZSA-N 1 0 333.388 1.886 20 5 EDBDRO CNS(=O)(=O)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417337743 446345861 /nfs/dbraw/zinc/34/58/61/446345861.db2.gz XLJZAOCYSHEBSZ-CQSZACIVSA-N 1 0 327.406 1.501 20 5 EDBDRO O=C(NC1CC1)c1ccc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000420253110 446433913 /nfs/dbraw/zinc/43/39/13/446433913.db2.gz CXUWMPJRIHSKSK-OLZOCXBDSA-N 1 0 330.388 1.533 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418084488 446436209 /nfs/dbraw/zinc/43/62/09/446436209.db2.gz QLMLVPCIWYXQOO-ONGXEEELSA-N 1 0 332.364 1.411 20 5 EDBDRO CNS(=O)(=O)c1ccc(NC[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420285967 446451016 /nfs/dbraw/zinc/45/10/16/446451016.db2.gz PYMCEEMFSANBFW-GHMZBOCLSA-N 1 0 342.421 1.432 20 5 EDBDRO COC[C@@]1(CNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000417972630 446403963 /nfs/dbraw/zinc/40/39/63/446403963.db2.gz BTFDDTZTEOIYLB-LRDDRELGSA-N 1 0 336.392 1.724 20 5 EDBDRO C[C@@H]1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000418003245 446412913 /nfs/dbraw/zinc/41/29/13/446412913.db2.gz ZOVHOZNIXIHLIU-SKDRFNHKSA-N 1 0 326.784 1.779 20 5 EDBDRO CO[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)[C@@H](C[NH3+])C1 ZINC000418054992 446426499 /nfs/dbraw/zinc/42/64/99/446426499.db2.gz APIQJNGGACRWJF-KGLIPLIRSA-N 1 0 336.392 1.551 20 5 EDBDRO Cc1nc(CO[C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)cs1 ZINC000374932611 446467998 /nfs/dbraw/zinc/46/79/98/446467998.db2.gz UBPDTDXWCUOGGD-AWEZNQCLSA-N 1 0 337.405 1.847 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000420308664 446471326 /nfs/dbraw/zinc/47/13/26/446471326.db2.gz NQWKVTPZUNENTA-BYCMXARLSA-N 1 0 339.417 1.038 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000420308667 446471939 /nfs/dbraw/zinc/47/19/39/446471939.db2.gz NQWKVTPZUNENTA-NILFDRSVSA-N 1 0 339.417 1.038 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCN[C@@H](c2cccnc2)C1 ZINC000367105434 446507328 /nfs/dbraw/zinc/50/73/28/446507328.db2.gz DUAHUNBNYMTEIR-OAHLLOKOSA-N 1 0 341.371 1.575 20 5 EDBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@H](O)COCC(F)(F)F)CC2 ZINC000432820960 446511921 /nfs/dbraw/zinc/51/19/21/446511921.db2.gz IADSKUYZSCIGBV-ZDUSSCGKSA-N 1 0 334.294 1.893 20 5 EDBDRO O=C(CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1[N+](=O)[O-] ZINC000420391476 446567233 /nfs/dbraw/zinc/56/72/33/446567233.db2.gz IJWPTCICUWGOLZ-UKRRQHHQSA-N 1 0 332.404 1.997 20 5 EDBDRO O=C([C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000376553802 446572922 /nfs/dbraw/zinc/57/29/22/446572922.db2.gz OFCRRLYRQDMVSL-CQSZACIVSA-N 1 0 333.388 1.918 20 5 EDBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000420411859 446585226 /nfs/dbraw/zinc/58/52/26/446585226.db2.gz COBLTNXFCRVCPP-CYBMUJFWSA-N 1 0 341.433 1.974 20 5 EDBDRO [NH3+][C@@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000420417079 446589789 /nfs/dbraw/zinc/58/97/89/446589789.db2.gz KJHWYTIDDFFGJV-HNNXBMFYSA-N 1 0 349.412 1.757 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000420418823 446592520 /nfs/dbraw/zinc/59/25/20/446592520.db2.gz GZMAJXXMKVFGFC-QWHCGFSZSA-N 1 0 339.417 1.584 20 5 EDBDRO C[C@@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420420065 446593425 /nfs/dbraw/zinc/59/34/25/446593425.db2.gz ITGLUQNTAUYQNE-OCCSQVGLSA-N 1 0 341.433 1.526 20 5 EDBDRO C[C@H](CCCC[NH3+])NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420420882 446595985 /nfs/dbraw/zinc/59/59/85/446595985.db2.gz KJDNVAIQXLWHCM-GFCCVEGCSA-N 1 0 329.422 1.574 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@H](CC[NH3+])C(F)F)cc([N+](=O)[O-])c1 ZINC000423695089 446645075 /nfs/dbraw/zinc/64/50/75/446645075.db2.gz GOXAMDIQNWNEHQ-SNVBAGLBSA-N 1 0 331.275 1.094 20 5 EDBDRO C[C@@H]1CCCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000420469368 446646183 /nfs/dbraw/zinc/64/61/83/446646183.db2.gz ZAGCKPAPRIIFNA-IUODEOHRSA-N 1 0 341.433 1.526 20 5 EDBDRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000423727289 446663406 /nfs/dbraw/zinc/66/34/06/446663406.db2.gz QYMDSDNBMSUXSG-MLGOLLRUSA-N 1 0 347.375 1.942 20 5 EDBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000375246383 446668906 /nfs/dbraw/zinc/66/89/06/446668906.db2.gz UAFOTUQYHXWENH-LSDHHAIUSA-N 1 0 341.371 1.400 20 5 EDBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000368041511 446620973 /nfs/dbraw/zinc/62/09/73/446620973.db2.gz KLGAHNSUJKQRDO-CQSZACIVSA-N 1 0 333.344 1.238 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420451500 446626954 /nfs/dbraw/zinc/62/69/54/446626954.db2.gz ICZHNSWDGLNPNB-QWHCGFSZSA-N 1 0 339.417 1.605 20 5 EDBDRO CCCN(C(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000418781445 446698897 /nfs/dbraw/zinc/69/88/97/446698897.db2.gz MFWIVZDHVYRXDA-DOMZBBRYSA-N 1 0 348.403 1.373 20 5 EDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000423963339 446799107 /nfs/dbraw/zinc/79/91/07/446799107.db2.gz VWTKVEKPRZNWOK-ZDUSSCGKSA-N 1 0 332.364 1.279 20 5 EDBDRO C[C@H]([NH2+][C@@H](CO)[C@@H]1CCCOC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000411993707 446778381 /nfs/dbraw/zinc/77/83/81/446778381.db2.gz LXZDCSOCQRASGC-ZOWXZIJZSA-N 1 0 337.376 1.299 20 5 EDBDRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000368318751 446782646 /nfs/dbraw/zinc/78/26/46/446782646.db2.gz UDLPHULABJHCAK-OAHLLOKOSA-N 1 0 339.417 1.452 20 5 EDBDRO C[C@@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C[C@H]1[NH3+] ZINC000423943309 446791859 /nfs/dbraw/zinc/79/18/59/446791859.db2.gz GDMXDVDWQVFGGA-CZUORRHYSA-N 1 0 335.407 1.960 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)c1 ZINC000412033498 446794909 /nfs/dbraw/zinc/79/49/09/446794909.db2.gz FMLNQNCHPZSISF-SJXGUFTOSA-N 1 0 336.388 1.427 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000423988425 446809831 /nfs/dbraw/zinc/80/98/31/446809831.db2.gz ASOXESBQMYDATI-CQSZACIVSA-N 1 0 329.360 1.273 20 5 EDBDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000368419091 446850487 /nfs/dbraw/zinc/85/04/87/446850487.db2.gz ZYJYWCJJBLGGBC-RDBSUJKOSA-N 1 0 337.424 1.307 20 5 EDBDRO COC(=O)[C@@H]1CSCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000412082857 446841685 /nfs/dbraw/zinc/84/16/85/446841685.db2.gz RSNSUKDZZMSJEN-LBPRGKRZSA-N 1 0 340.401 1.812 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[N@H+]2CC=CCC2)c1F ZINC000412312387 446930402 /nfs/dbraw/zinc/93/04/02/446930402.db2.gz VXUPJWVPMYFMDL-UHFFFAOYSA-N 1 0 337.351 1.663 20 5 EDBDRO CC[C@H](C)C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420975007 446948195 /nfs/dbraw/zinc/94/81/95/446948195.db2.gz PTBCXYMRLZKYRK-LBPRGKRZSA-N 1 0 329.422 1.851 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000368591174 446964174 /nfs/dbraw/zinc/96/41/74/446964174.db2.gz LWSQRDYTEAFDKM-KBPBESRZSA-N 1 0 335.408 1.351 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)CCOc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425061077 447008179 /nfs/dbraw/zinc/00/81/79/447008179.db2.gz XWPOIVFUWAJQOM-DZGCQCFKSA-N 1 0 333.388 1.916 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000419281783 447054883 /nfs/dbraw/zinc/05/48/83/447054883.db2.gz XXMYYGHQDFXEFB-DGCLKSJQSA-N 1 0 336.392 1.180 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000419283468 447055749 /nfs/dbraw/zinc/05/57/49/447055749.db2.gz ZKCNHFDRVWSPFH-XQQFMLRXSA-N 1 0 348.403 1.289 20 5 EDBDRO O=[N+]([O-])c1cnn(CCN2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000425500476 447195971 /nfs/dbraw/zinc/19/59/71/447195971.db2.gz LXRMRRLUNQWAIK-FUHWJXTLSA-N 1 0 341.415 1.998 20 5 EDBDRO CC(C)C[N@@H+]1CCO[C@@H](CN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C1 ZINC000447684811 447287587 /nfs/dbraw/zinc/28/75/87/447287587.db2.gz DYJVGNAEQVQHAX-ZDUSSCGKSA-N 1 0 333.392 1.662 20 5 EDBDRO CNC(=O)CN1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000372745945 447264774 /nfs/dbraw/zinc/26/47/74/447264774.db2.gz BRWOSVVUCNBDDV-UHFFFAOYSA-N 1 0 343.387 1.401 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000415494870 447477866 /nfs/dbraw/zinc/47/78/66/447477866.db2.gz WFSWKCDFGXMXDX-UHFFFAOYSA-N 1 0 336.392 1.593 20 5 EDBDRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000426898176 447514158 /nfs/dbraw/zinc/51/41/58/447514158.db2.gz SRMLNGPCQRCPPI-GFCCVEGCSA-N 1 0 348.359 1.477 20 5 EDBDRO COc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000392086377 447520248 /nfs/dbraw/zinc/52/02/48/447520248.db2.gz HPAHOYZALXPVGI-ZYHUDNBSSA-N 1 0 337.376 1.954 20 5 EDBDRO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CCC[N@@H+]1C ZINC000450547798 447522882 /nfs/dbraw/zinc/52/28/82/447522882.db2.gz PECSUBWVKWDJGE-JSGCOSHPSA-N 1 0 343.387 1.993 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)C1CC1 ZINC000416394857 447591043 /nfs/dbraw/zinc/59/10/43/447591043.db2.gz ZQPDBOLFGAENIV-UHFFFAOYSA-N 1 0 341.433 1.974 20 5 EDBDRO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000427742412 447640979 /nfs/dbraw/zinc/64/09/79/447640979.db2.gz PERYFFLZJPCTII-OAHLLOKOSA-N 1 0 343.387 1.947 20 5 EDBDRO O=C(c1ccc(NC[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000420160944 447647109 /nfs/dbraw/zinc/64/71/09/447647109.db2.gz FHRHJRVIJQBDMR-ZDUSSCGKSA-N 1 0 334.376 1.231 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)c(C)cc1[N+](=O)[O-] ZINC000416429350 447598849 /nfs/dbraw/zinc/59/88/49/447598849.db2.gz VQNPHRQPNXCLTC-ZDUSSCGKSA-N 1 0 341.433 1.926 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC[N@@H+](C)C(C)C)c(C)cc1[N+](=O)[O-] ZINC000416475008 447615927 /nfs/dbraw/zinc/61/59/27/447615927.db2.gz SMYOZOXJOOEMOY-UHFFFAOYSA-N 1 0 329.422 1.830 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000420168119 447650985 /nfs/dbraw/zinc/65/09/85/447650985.db2.gz KOAZJTUOWVPRLO-CQSZACIVSA-N 1 0 347.419 1.255 20 5 EDBDRO [NH3+]C[C@H]1CCC[C@@H]1Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000420185775 447660138 /nfs/dbraw/zinc/66/01/38/447660138.db2.gz ACLWDOBYJHIPAN-KGLIPLIRSA-N 1 0 348.403 1.607 20 5 EDBDRO C[NH2+]C[C@H]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000420186465 447660668 /nfs/dbraw/zinc/66/06/68/447660668.db2.gz KYIAIJUKTXGTJN-GFCCVEGCSA-N 1 0 343.387 1.605 20 5 EDBDRO C[C@]1(C[NH3+])CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420242889 447683869 /nfs/dbraw/zinc/68/38/69/447683869.db2.gz NKMKSVNSOCXTJR-QGZVFWFLSA-N 1 0 334.420 1.602 20 5 EDBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000523324262 447878573 /nfs/dbraw/zinc/87/85/73/447878573.db2.gz RGNIFWCWUUOMON-UHFFFAOYSA-N 1 0 336.392 1.089 20 5 EDBDRO Cn1c(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)ccc1[N+](=O)[O-] ZINC000489997699 447884788 /nfs/dbraw/zinc/88/47/88/447884788.db2.gz IEYYUVSURWOGSR-UHFFFAOYSA-N 1 0 332.364 1.649 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)c1 ZINC000575862667 447915543 /nfs/dbraw/zinc/91/55/43/447915543.db2.gz ISYGWEKCTFAWDE-NOLJZWGESA-N 1 0 334.351 1.827 20 5 EDBDRO CC[NH+]1CCC(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000554586886 448038267 /nfs/dbraw/zinc/03/82/67/448038267.db2.gz DVIXSUTXDDBTOM-UHFFFAOYSA-N 1 0 335.360 1.785 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000526920547 448117759 /nfs/dbraw/zinc/11/77/59/448117759.db2.gz DDOQLAHVODCHRP-JTQLQIEISA-N 1 0 338.339 1.130 20 5 EDBDRO O=C1C[C@@H]([N@@H+]2C[C@@H]3CCC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000532049112 448189207 /nfs/dbraw/zinc/18/92/07/448189207.db2.gz WJFGJLZDWIMXJI-TYNCELHUSA-N 1 0 329.356 1.959 20 5 EDBDRO CCCCN1CCCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000571908911 448234599 /nfs/dbraw/zinc/23/45/99/448234599.db2.gz KTGQUUMULZKKCV-GDBMZVCRSA-N 1 0 339.440 1.396 20 5 EDBDRO [NH3+]CC[C@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F ZINC000591283019 448306207 /nfs/dbraw/zinc/30/62/07/448306207.db2.gz NCJKNISJPFZMLG-LBPRGKRZSA-N 1 0 335.282 1.735 20 5 EDBDRO Nc1nccc(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000563638826 448309760 /nfs/dbraw/zinc/30/97/60/448309760.db2.gz ULCPMQVSHJFWIW-CYBMUJFWSA-N 1 0 347.419 2.099 20 5 EDBDRO CC(C)NC(=O)c1ccc(N2CC[C@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC000591437434 448363538 /nfs/dbraw/zinc/36/35/38/448363538.db2.gz HJHOEFUTNFRNEX-OCCSQVGLSA-N 1 0 332.404 1.921 20 5 EDBDRO O=c1[nH]c(N2CCC[C@@]3(CC[NH2+]C3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000591440855 448364933 /nfs/dbraw/zinc/36/49/33/448364933.db2.gz RCMKTSQORVKGOB-INIZCTEOSA-N 1 0 329.360 1.824 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591447902 448365699 /nfs/dbraw/zinc/36/56/99/448365699.db2.gz CSEJJCJUJQHLLR-BBRMVZONSA-N 1 0 332.404 1.916 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000591450073 448368482 /nfs/dbraw/zinc/36/84/82/448368482.db2.gz JQPHJLQIXCIWOK-LLVKDONJSA-N 1 0 331.394 1.255 20 5 EDBDRO CCC[C@@H](C)[C@H](CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000516474869 448426666 /nfs/dbraw/zinc/42/66/66/448426666.db2.gz CGOVDGACFFFYSZ-RISCZKNCSA-N 1 0 339.392 1.929 20 5 EDBDRO C[C@@H](CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)C1CC[NH2+]CC1 ZINC000566249354 448430401 /nfs/dbraw/zinc/43/04/01/448430401.db2.gz UQOUGJCPFGPPNP-LBPRGKRZSA-N 1 0 332.404 1.900 20 5 EDBDRO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N(C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000591679780 448448661 /nfs/dbraw/zinc/44/86/61/448448661.db2.gz XKKHKJAPYBYQCM-OAHLLOKOSA-N 1 0 348.403 1.315 20 5 EDBDRO Nc1nccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000583639731 448455696 /nfs/dbraw/zinc/45/56/96/448455696.db2.gz PTQGSNQGKYNVTB-UHFFFAOYSA-N 1 0 333.392 1.663 20 5 EDBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000517030295 448527524 /nfs/dbraw/zinc/52/75/24/448527524.db2.gz RJUUOEOONAABBR-GFCCVEGCSA-N 1 0 340.405 1.143 20 5 EDBDRO COCC[C@]1([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCOC1 ZINC000517845576 448622198 /nfs/dbraw/zinc/62/21/98/448622198.db2.gz TUQGAZPDTHXONR-KRWDZBQOSA-N 1 0 349.387 1.269 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@H](C)[NH+]2CCCC2)c(C)cc1[N+](=O)[O-] ZINC000566962619 448592728 /nfs/dbraw/zinc/59/27/28/448592728.db2.gz IOAGISQGGXBDDG-ZDUSSCGKSA-N 1 0 341.433 1.974 20 5 EDBDRO O=C(c1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000584712783 448603906 /nfs/dbraw/zinc/60/39/06/448603906.db2.gz SYSMJRBCRBFKMT-ZIAGYGMSSA-N 1 0 344.415 1.877 20 5 EDBDRO C[NH+]1CCC2(CC1)CN(CCOc1cccc([N+](=O)[O-])c1)CCO2 ZINC000592182672 448725233 /nfs/dbraw/zinc/72/52/33/448725233.db2.gz OLVWWODEGXTDNW-UHFFFAOYSA-N 1 0 335.404 1.770 20 5 EDBDRO O=C(NCCC[NH2+]Cc1cccnc1)NCc1cccc([N+](=O)[O-])c1 ZINC000567714714 448746586 /nfs/dbraw/zinc/74/65/86/448746586.db2.gz SVNUQPMKBOANNY-UHFFFAOYSA-N 1 0 343.387 1.969 20 5 EDBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000579233684 448748526 /nfs/dbraw/zinc/74/85/26/448748526.db2.gz SULPWTQPIHFAAG-LLVKDONJSA-N 1 0 329.259 1.051 20 5 EDBDRO CN(C)[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000579278310 448759424 /nfs/dbraw/zinc/75/94/24/448759424.db2.gz PALYEMPHFNFLSJ-DZGCQCFKSA-N 1 0 349.387 1.820 20 5 EDBDRO CC(C)[C@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[NH2+]1 ZINC000592241790 448759803 /nfs/dbraw/zinc/75/98/03/448759803.db2.gz HYFRUIRVJBDBRM-CQSZACIVSA-N 1 0 343.387 1.851 20 5 EDBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC[C@H]1CCS(=O)(=O)C1 ZINC000586773535 448808300 /nfs/dbraw/zinc/80/83/00/448808300.db2.gz YEYCSZZPOHTDHM-ZDUSSCGKSA-N 1 0 326.418 1.894 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000592378796 448811285 /nfs/dbraw/zinc/81/12/85/448811285.db2.gz DUUPTSQWIPYNGV-CYBMUJFWSA-N 1 0 327.406 1.522 20 5 EDBDRO CCCc1n[nH]c(C(=O)NC[C@@H]([NH3+])c2ccccc2OC)c1[N+](=O)[O-] ZINC000592286716 448771937 /nfs/dbraw/zinc/77/19/37/448771937.db2.gz KHJLSFMNVAKONY-LLVKDONJSA-N 1 0 347.375 1.709 20 5 EDBDRO Cc1nn(C)c(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1[N+](=O)[O-] ZINC000592341153 448798509 /nfs/dbraw/zinc/79/85/09/448798509.db2.gz XWSXQBANPWWEME-ZDUSSCGKSA-N 1 0 331.376 1.847 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000592383651 448816358 /nfs/dbraw/zinc/81/63/58/448816358.db2.gz WRUIICVACWYGHQ-VHSXEESVSA-N 1 0 329.378 1.022 20 5 EDBDRO Cn1c2cc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000587309726 448837239 /nfs/dbraw/zinc/83/72/39/448837239.db2.gz NNJNKAAKTZQJES-NEPJUHHUSA-N 1 0 345.403 1.824 20 5 EDBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592568967 448905815 /nfs/dbraw/zinc/90/58/15/448905815.db2.gz SCJGNAHRMBBFJN-LLVKDONJSA-N 1 0 347.371 1.771 20 5 EDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000521041533 448949385 /nfs/dbraw/zinc/94/93/85/448949385.db2.gz OROXCUNBPSMVBV-NSHDSACASA-N 1 0 339.417 1.388 20 5 EDBDRO Cc1c(CC(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588861935 448941621 /nfs/dbraw/zinc/94/16/21/448941621.db2.gz ZKYNVBGRVHWZMI-HUUCEWRRSA-N 1 0 333.388 1.113 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000589393168 449011782 /nfs/dbraw/zinc/01/17/82/449011782.db2.gz XCGOSFSWADBNNQ-GFCCVEGCSA-N 1 0 334.376 1.306 20 5 EDBDRO CC(C)[C@@H](O)C1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000582360185 449074986 /nfs/dbraw/zinc/07/49/86/449074986.db2.gz DSZISLMUCVXRIJ-GOEBONIOSA-N 1 0 338.404 1.721 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](CO)C2CCC2)c([N+](=O)[O-])c1 ZINC000595618457 449083594 /nfs/dbraw/zinc/08/35/94/449083594.db2.gz YFDLCVKEAOORGR-CQSZACIVSA-N 1 0 337.376 1.683 20 5 EDBDRO CSC1(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)CC[NH+](C)CC1 ZINC000589605377 449037715 /nfs/dbraw/zinc/03/77/15/449037715.db2.gz XZCRQFDKINZKLU-UHFFFAOYSA-N 1 0 340.449 1.909 20 5 EDBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1ccc([N+](=O)[O-])cc1F)CCO2 ZINC000592899883 449043842 /nfs/dbraw/zinc/04/38/42/449043842.db2.gz VGLUSXOVCCZZOD-UHFFFAOYSA-N 1 0 337.351 1.671 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000589930479 449084959 /nfs/dbraw/zinc/08/49/59/449084959.db2.gz YCIPFMGRPDYPTR-GXTWGEPZSA-N 1 0 339.417 1.482 20 5 EDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593583154 449089496 /nfs/dbraw/zinc/08/94/96/449089496.db2.gz ZLPZJXRJFDJNFM-VXGBXAGGSA-N 1 0 342.421 1.389 20 5 EDBDRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)C1 ZINC000590165450 449114028 /nfs/dbraw/zinc/11/40/28/449114028.db2.gz UPOUZTKNKNOQEC-ZDUSSCGKSA-N 1 0 345.446 1.763 20 5 EDBDRO C[C@@H]1COC2(CCC2)C[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595675577 449114052 /nfs/dbraw/zinc/11/40/52/449114052.db2.gz OZSXDNKDXFPFJT-UKRRQHHQSA-N 1 0 336.388 1.978 20 5 EDBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(Cn2cnnc2)CC1 ZINC000593075939 449123367 /nfs/dbraw/zinc/12/33/67/449123367.db2.gz JINWFXVRGSFSCM-UHFFFAOYSA-N 1 0 331.376 1.977 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000590281839 449124768 /nfs/dbraw/zinc/12/47/68/449124768.db2.gz SEDABKKRSXXLOV-WFASDCNBSA-N 1 0 346.387 1.258 20 5 EDBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000597942266 449152198 /nfs/dbraw/zinc/15/21/98/449152198.db2.gz JQQUHQMDKPVFEO-AWEZNQCLSA-N 1 0 336.436 1.526 20 5 EDBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000595766151 449155411 /nfs/dbraw/zinc/15/54/11/449155411.db2.gz MKUBLYYFFFLPKG-DGCLKSJQSA-N 1 0 335.360 1.738 20 5 EDBDRO CCO[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C[NH3+] ZINC000593737182 449171660 /nfs/dbraw/zinc/17/16/60/449171660.db2.gz SCVLKSKJRRBSIL-TZMCWYRMSA-N 1 0 347.375 1.440 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)[C@H]2C1 ZINC000590442966 449164745 /nfs/dbraw/zinc/16/47/45/449164745.db2.gz CHIMCFXHTSTXJA-WBMJQRKESA-N 1 0 341.371 1.557 20 5 EDBDRO CC[N@@H+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000611091819 449166250 /nfs/dbraw/zinc/16/62/50/449166250.db2.gz UNFLBJIKGLWUPU-CYBMUJFWSA-N 1 0 332.404 1.510 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC([C@@H]3CCCCO3)CC2)c1 ZINC000595788424 449166558 /nfs/dbraw/zinc/16/65/58/449166558.db2.gz NTLCPXXTTOXZAL-CVEARBPZSA-N 1 0 338.408 1.433 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000599988548 449139843 /nfs/dbraw/zinc/13/98/43/449139843.db2.gz HOUJYVDZGCUAJV-FICVDOATSA-N 1 0 347.371 1.404 20 5 EDBDRO O=C1[C@@H]([N@@H+]2CCC[C@](O)(C3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595750836 449147593 /nfs/dbraw/zinc/14/75/93/449147593.db2.gz OFMREIBPRLQVGW-FUHWJXTLSA-N 1 0 345.399 1.937 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000590589899 449204828 /nfs/dbraw/zinc/20/48/28/449204828.db2.gz SKPYWRJGTXVDBF-NEPJUHHUSA-N 1 0 327.406 1.616 20 5 EDBDRO CSc1ccc(C(=O)N2CC(N3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593856003 449240724 /nfs/dbraw/zinc/24/07/24/449240724.db2.gz UAKPWCHPNZXONM-GFCCVEGCSA-N 1 0 337.401 1.208 20 5 EDBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600230036 449256399 /nfs/dbraw/zinc/25/63/99/449256399.db2.gz OTQBALWGLNURRR-CQSZACIVSA-N 1 0 348.403 1.280 20 5 EDBDRO O=C(NCc1ccccc1[N+](=O)[O-])c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000595925901 449257732 /nfs/dbraw/zinc/25/77/32/449257732.db2.gz XJUKHRYTXTWDST-CYBMUJFWSA-N 1 0 344.375 1.431 20 5 EDBDRO Cn1nnnc1CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000611314615 449260742 /nfs/dbraw/zinc/26/07/42/449260742.db2.gz SLVOTVCLCHIPII-UHFFFAOYSA-N 1 0 328.332 1.711 20 5 EDBDRO [NH3+]CC12CC(C1)CN2C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000595948392 449274389 /nfs/dbraw/zinc/27/43/89/449274389.db2.gz VXCOHPHMZIUOKK-UHFFFAOYSA-N 1 0 330.388 1.758 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593450513 449290277 /nfs/dbraw/zinc/29/02/77/449290277.db2.gz NIWWLKRXFNTLHW-CQSZACIVSA-N 1 0 339.367 1.503 20 5 EDBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000595981936 449297243 /nfs/dbraw/zinc/29/72/43/449297243.db2.gz HICDBVGWERBKIR-LLVKDONJSA-N 1 0 345.403 1.794 20 5 EDBDRO O=C([C@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000593907515 449277084 /nfs/dbraw/zinc/27/70/84/449277084.db2.gz REEPTKJZLUKMQN-UONOGXRCSA-N 1 0 333.392 1.485 20 5 EDBDRO O=C(NCC12CC(C1)C[NH2+]2)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000595952256 449278797 /nfs/dbraw/zinc/27/87/97/449278797.db2.gz XSTJZIXLFKHTAK-UHFFFAOYSA-N 1 0 328.328 1.330 20 5 EDBDRO CN(CC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000593912375 449282225 /nfs/dbraw/zinc/28/22/25/449282225.db2.gz MHHKIXSLPQSTQD-GUYCJALGSA-N 1 0 332.404 1.618 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c1 ZINC000596067232 449345736 /nfs/dbraw/zinc/34/57/36/449345736.db2.gz WFOFGCACMDPLLI-DMRZNYOFSA-N 1 0 332.335 1.219 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)nc1 ZINC000593556367 449347043 /nfs/dbraw/zinc/34/70/43/449347043.db2.gz HWCJFKQJWFXGRM-GFCCVEGCSA-N 1 0 340.405 1.096 20 5 EDBDRO CC[NH+]1CCN(CCNc2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000596073969 449349552 /nfs/dbraw/zinc/34/95/52/449349552.db2.gz OZHQHKIGHRMLIT-UHFFFAOYSA-N 1 0 326.372 1.792 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000596091677 449358207 /nfs/dbraw/zinc/35/82/07/449358207.db2.gz CCUQFAKMMCMJCY-LLVKDONJSA-N 1 0 342.421 1.384 20 5 EDBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596090841 449358707 /nfs/dbraw/zinc/35/87/07/449358707.db2.gz XFHPYLWOXKSRTL-SNVBAGLBSA-N 1 0 330.410 1.384 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCNC1=O ZINC000590971643 449363531 /nfs/dbraw/zinc/36/35/31/449363531.db2.gz CGURYXORYCXQGY-NEPJUHHUSA-N 1 0 334.376 1.428 20 5 EDBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC(F)(F)CC1 ZINC000594044292 449334931 /nfs/dbraw/zinc/33/49/31/449334931.db2.gz OGHWOVIGOOOIHX-GWCFXTLKSA-N 1 0 332.351 1.956 20 5 EDBDRO Cc1sc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000598455056 449404471 /nfs/dbraw/zinc/40/44/71/449404471.db2.gz ZLLBYRXGIOLUHQ-GFCCVEGCSA-N 1 0 339.417 1.636 20 5 EDBDRO C[C@H](C(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1F ZINC000600533416 449428470 /nfs/dbraw/zinc/42/84/70/449428470.db2.gz KOTJJZVHZRTRIS-CMPLNLGQSA-N 1 0 325.340 1.020 20 5 EDBDRO CNc1nccc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598559786 449466428 /nfs/dbraw/zinc/46/64/28/449466428.db2.gz ZLOATONSQWFYFT-CYBMUJFWSA-N 1 0 347.419 1.883 20 5 EDBDRO CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC[NH2+]1 ZINC000598573031 449472133 /nfs/dbraw/zinc/47/21/33/449472133.db2.gz OAHUZZTWTSFEBQ-AWEZNQCLSA-N 1 0 343.387 1.851 20 5 EDBDRO C[NH2+][C@H](C)Cc1noc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000598591050 449480337 /nfs/dbraw/zinc/48/03/37/449480337.db2.gz YPIMIFFWYJHAGL-SECBINFHSA-N 1 0 334.336 1.450 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600741296 449528498 /nfs/dbraw/zinc/52/84/98/449528498.db2.gz DYRVRBOXMLQXCH-CALCHBBNSA-N 1 0 332.404 1.773 20 5 EDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cn(-c3cccc([N+](=O)[O-])c3)nn1)C2 ZINC000598666928 449528772 /nfs/dbraw/zinc/52/87/72/449528772.db2.gz CFRMVLXWPCRZHZ-BZNIZROVSA-N 1 0 342.359 1.129 20 5 EDBDRO COc1cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(F)cc1[N+](=O)[O-] ZINC000596539738 449545793 /nfs/dbraw/zinc/54/57/93/449545793.db2.gz QFYBLDCIMBSRPX-LBPRGKRZSA-N 1 0 339.367 1.778 20 5 EDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000600715487 449513402 /nfs/dbraw/zinc/51/34/02/449513402.db2.gz YYFRWQOTUFKATC-AWEZNQCLSA-N 1 0 347.419 1.299 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598726718 449566461 /nfs/dbraw/zinc/56/64/61/449566461.db2.gz VCCHTXMAKIXGLK-DOMZBBRYSA-N 1 0 339.417 1.714 20 5 EDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCN1CCCS1(=O)=O ZINC000594503533 449558681 /nfs/dbraw/zinc/55/86/81/449558681.db2.gz XZWIRMGEDLWCHL-AWEZNQCLSA-N 1 0 339.417 1.597 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC2(C[NH3+])CCCC2)c(C)c1[N+](=O)[O-] ZINC000598717135 449560640 /nfs/dbraw/zinc/56/06/40/449560640.db2.gz YEPCLLBDYSQWDQ-UHFFFAOYSA-N 1 0 327.406 1.761 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598720305 449562203 /nfs/dbraw/zinc/56/22/03/449562203.db2.gz OEKJEKQDIXTYNG-SMDDNHRTSA-N 1 0 325.390 1.405 20 5 EDBDRO Cn1ccnc1[C@H](NCC12CC(C1)C[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000596651204 449586873 /nfs/dbraw/zinc/58/68/73/449586873.db2.gz BIAKEGVGVPTKCJ-YAJUMTOWSA-N 1 0 327.388 1.759 20 5 EDBDRO CC(C)N1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1=O ZINC000602550916 449667876 /nfs/dbraw/zinc/66/78/76/449667876.db2.gz AAMDAKIGWRVROT-CQSZACIVSA-N 1 0 347.419 1.558 20 5 EDBDRO CC(C)[NH+](CCCNS(=O)(=O)c1ncccc1[N+](=O)[O-])C(C)C ZINC000594760304 449674189 /nfs/dbraw/zinc/67/41/89/449674189.db2.gz YJIVUJPGQHMTQZ-UHFFFAOYSA-N 1 0 344.437 1.777 20 5 EDBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H]1CN(C)CCO1 ZINC000602575481 449683825 /nfs/dbraw/zinc/68/38/25/449683825.db2.gz IJYXJTFLZJIXKP-BBRMVZONSA-N 1 0 349.435 1.267 20 5 EDBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)c1 ZINC000601114792 449698252 /nfs/dbraw/zinc/69/82/52/449698252.db2.gz VLZLURHIKVZTFD-CQSZACIVSA-N 1 0 331.376 1.555 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000612453440 449714116 /nfs/dbraw/zinc/71/41/16/449714116.db2.gz RCQSGUCFHQBJGA-UHFFFAOYSA-N 1 0 336.440 1.182 20 5 EDBDRO C[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccc([N+](=O)[O-])cc1 ZINC000599063798 449715187 /nfs/dbraw/zinc/71/51/87/449715187.db2.gz HXFLHLQAYQFIRW-KSSFIOAISA-N 1 0 349.431 1.861 20 5 EDBDRO Cc1cc(NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)ncc1[N+](=O)[O-] ZINC000601176711 449734528 /nfs/dbraw/zinc/73/45/28/449734528.db2.gz LVYWZYOOWBEHCV-ZDUSSCGKSA-N 1 0 333.392 1.405 20 5 EDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594774191 449686934 /nfs/dbraw/zinc/68/69/34/449686934.db2.gz XXRDYRCLBYORJL-LLVKDONJSA-N 1 0 342.421 1.341 20 5 EDBDRO C[NH+]1CCN(c2ncccc2CNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601109807 449695376 /nfs/dbraw/zinc/69/53/76/449695376.db2.gz ZNAKWABSZGGSDG-UHFFFAOYSA-N 1 0 346.366 1.888 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000597047751 449783278 /nfs/dbraw/zinc/78/32/78/449783278.db2.gz IDFSGTKIJQKQPA-UGFHNGPFSA-N 1 0 339.417 1.651 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000599106729 449739714 /nfs/dbraw/zinc/73/97/14/449739714.db2.gz JDMVJAQMBMGFAK-QWHCGFSZSA-N 1 0 327.406 1.630 20 5 EDBDRO CO[C@@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CCOC1 ZINC000594951750 449817600 /nfs/dbraw/zinc/81/76/00/449817600.db2.gz NBPTUOFFCAPZLY-ZBEGNZNMSA-N 1 0 338.360 1.507 20 5 EDBDRO CCN1CCC[C@H](NS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601314100 449823201 /nfs/dbraw/zinc/82/32/01/449823201.db2.gz YRZKOTBXRMOJDE-JTQLQIEISA-N 1 0 333.435 1.727 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000595074709 449855330 /nfs/dbraw/zinc/85/53/30/449855330.db2.gz UKWAIXHTQBVHJC-CYBMUJFWSA-N 1 0 348.403 1.831 20 5 EDBDRO COC(=O)COc1ccc(C[N@H+](C)CC2CN(C)C2)cc1[N+](=O)[O-] ZINC000597204683 449869363 /nfs/dbraw/zinc/86/93/63/449869363.db2.gz DCXYTRFQFKMZAC-UHFFFAOYSA-N 1 0 337.376 1.140 20 5 EDBDRO COc1ccc(S(=O)(=O)NCC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000595120577 449881492 /nfs/dbraw/zinc/88/14/92/449881492.db2.gz IKKKWUIRISEBRT-LLVKDONJSA-N 1 0 331.394 1.255 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000595121353 449882840 /nfs/dbraw/zinc/88/28/40/449882840.db2.gz YJZUFRFMMIESIX-LBPRGKRZSA-N 1 0 339.417 1.856 20 5 EDBDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000602913149 449917016 /nfs/dbraw/zinc/91/70/16/449917016.db2.gz MHEMBGSWRNLNOB-AWEZNQCLSA-N 1 0 337.424 1.367 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+][C@H](C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000601469937 449992424 /nfs/dbraw/zinc/99/24/24/449992424.db2.gz ARDJMHGZKUVXBL-LBPRGKRZSA-N 1 0 345.396 1.661 20 5 EDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000599477386 450005771 /nfs/dbraw/zinc/00/57/71/450005771.db2.gz HIQIMXGJJNFZAZ-LLVKDONJSA-N 1 0 349.366 1.990 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000597438305 450020919 /nfs/dbraw/zinc/02/09/19/450020919.db2.gz CTQZKDZITHRVOV-CYBMUJFWSA-N 1 0 344.375 1.412 20 5 EDBDRO O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000603052103 450036055 /nfs/dbraw/zinc/03/60/55/450036055.db2.gz HGAAVFJDJSEKRG-CWRNSKLLSA-N 1 0 333.388 1.271 20 5 EDBDRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000609991319 450123090 /nfs/dbraw/zinc/12/30/90/450123090.db2.gz AZFYDKOVLBSARH-TZMCWYRMSA-N 1 0 333.392 1.487 20 5 EDBDRO C[NH+](C)C[C@H](CO)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000597655640 450174259 /nfs/dbraw/zinc/17/42/59/450174259.db2.gz ZNSNZNUFUPDZDX-CYBMUJFWSA-N 1 0 344.371 1.309 20 5 EDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000597701412 450208164 /nfs/dbraw/zinc/20/81/64/450208164.db2.gz SSBAVKVZNHZQHW-OTYXRUKQSA-N 1 0 327.331 1.967 20 5 EDBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000595505826 450193123 /nfs/dbraw/zinc/19/31/23/450193123.db2.gz ZCWSWESBCYZBMK-QAPCUYQASA-N 1 0 349.431 1.752 20 5 EDBDRO CCn1cnnc1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000618571905 450249185 /nfs/dbraw/zinc/24/91/85/450249185.db2.gz OGFPWFFKYMMUKW-QWHCGFSZSA-N 1 0 333.396 1.719 20 5 EDBDRO O=[N+]([O-])c1ccc2oc(CN3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)nc2c1 ZINC000610581359 450267290 /nfs/dbraw/zinc/26/72/90/450267290.db2.gz KFUQYHKMJXLREU-CABCVRRESA-N 1 0 346.387 1.767 20 5 EDBDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000609532614 485535553 /nfs/dbraw/zinc/53/55/53/485535553.db2.gz IBYYSALWEVCYAL-UHFFFAOYSA-N 1 0 336.392 1.688 20 5 EDBDRO Cc1cccc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000178102362 534593947 /nfs/dbraw/zinc/59/39/47/534593947.db2.gz PSMWRJIFHQNTMH-AWEZNQCLSA-N 1 0 333.388 1.698 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000154545808 534618252 /nfs/dbraw/zinc/61/82/52/534618252.db2.gz ITSUAZFLQGAFQA-UHFFFAOYSA-N 1 0 335.408 1.577 20 5 EDBDRO C[NH2+]C1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000262251463 536439456 /nfs/dbraw/zinc/43/94/56/536439456.db2.gz SPRQUKCMBXFGNP-UHFFFAOYSA-N 1 0 329.360 1.605 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000237319705 536465409 /nfs/dbraw/zinc/46/54/09/536465409.db2.gz MUUUFERYDVRRJM-SNVBAGLBSA-N 1 0 347.824 1.868 20 5 EDBDRO CC(C)(O)C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000180225815 527341813 /nfs/dbraw/zinc/34/18/13/527341813.db2.gz GEMJTBJPXGSQEP-INIZCTEOSA-N 1 0 348.403 1.425 20 5 EDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000174180339 528251381 /nfs/dbraw/zinc/25/13/81/528251381.db2.gz BTOQWPUCTPUEKZ-CQSZACIVSA-N 1 0 334.420 1.974 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000183977351 528535090 /nfs/dbraw/zinc/53/50/90/528535090.db2.gz LJQLFIZVOZOPCD-UHFFFAOYSA-N 1 0 329.784 1.221 20 5 EDBDRO CCC(CC)(C[NH3+])NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000236811811 534938718 /nfs/dbraw/zinc/93/87/18/534938718.db2.gz TVIOWGSRBPVQMJ-UHFFFAOYSA-N 1 0 346.391 1.731 20 5 EDBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000268494728 535163602 /nfs/dbraw/zinc/16/36/02/535163602.db2.gz SKBYTALGQWOHBL-UHFFFAOYSA-N 1 0 339.367 1.699 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000261743186 535809291 /nfs/dbraw/zinc/80/92/91/535809291.db2.gz OGPZWGXCZRRIQJ-VXGBXAGGSA-N 1 0 338.412 1.038 20 5 EDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000270527498 535950442 /nfs/dbraw/zinc/95/04/42/535950442.db2.gz NUHNGKLNJPXGPC-INIZCTEOSA-N 1 0 334.376 1.047 20 5 EDBDRO CCc1n[nH]c(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000270269044 536000324 /nfs/dbraw/zinc/00/03/24/536000324.db2.gz UFMAQRHFZGVDFF-LBPRGKRZSA-N 1 0 335.408 1.684 20 5 EDBDRO CCn1cc(C[NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)cn1 ZINC000353095097 536072419 /nfs/dbraw/zinc/07/24/19/536072419.db2.gz WUWNEWYXPRONQY-UHFFFAOYSA-N 1 0 348.359 1.653 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000237157362 536459227 /nfs/dbraw/zinc/45/92/27/536459227.db2.gz IZXOKGQBMVLAFH-JTQLQIEISA-N 1 0 347.824 1.929 20 5 EDBDRO Cc1ccccc1[C@H](O)C[NH2+][C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000741775623 579427604 /nfs/dbraw/zinc/42/76/04/579427604.db2.gz LSPUEMPXJXNQIL-KURKYZTESA-N 1 0 346.383 1.621 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000742404948 579451161 /nfs/dbraw/zinc/45/11/61/579451161.db2.gz NSCLATYYUZCKAZ-LBPRGKRZSA-N 1 0 336.392 1.111 20 5 EDBDRO O=C(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc21 ZINC000727059846 578512532 /nfs/dbraw/zinc/51/25/32/578512532.db2.gz MQZRUDBJXZGWOA-KRWDZBQOSA-N 1 0 341.367 1.807 20 5 EDBDRO CN(CC1CC[NH+](C)CC1)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000728881752 578553688 /nfs/dbraw/zinc/55/36/88/578553688.db2.gz OLDGJSHRTUVYOU-UHFFFAOYSA-N 1 0 345.403 1.745 20 5 EDBDRO C[NH+](C)CCCNC(=S)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000731570438 578676454 /nfs/dbraw/zinc/67/64/54/578676454.db2.gz NVKMLJBUFLGNCU-UHFFFAOYSA-N 1 0 326.422 1.389 20 5 EDBDRO O=C1[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1CC(F)(F)F ZINC000734154831 578800912 /nfs/dbraw/zinc/80/09/12/578800912.db2.gz FIZRZLCKEKKDOA-RYUDHWBXSA-N 1 0 347.293 1.381 20 5 EDBDRO CC[S@](=O)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000735084624 578857866 /nfs/dbraw/zinc/85/78/66/578857866.db2.gz MELYRLCEJLSYBU-QHCPKHFHSA-N 1 0 336.417 1.854 20 5 EDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)C[NH+]1CCCC1 ZINC000736027058 578947782 /nfs/dbraw/zinc/94/77/82/578947782.db2.gz WLMCZOYFYQRZFU-JTQLQIEISA-N 1 0 332.368 1.314 20 5 EDBDRO Cc1nn(CN2CCC(OCC[NH+](C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000738211187 579172821 /nfs/dbraw/zinc/17/28/21/579172821.db2.gz SRCAUOXIGZHWTQ-UHFFFAOYSA-N 1 0 325.413 1.408 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000748844843 579703702 /nfs/dbraw/zinc/70/37/02/579703702.db2.gz ZBNMRWRTFQFOCQ-LBPRGKRZSA-N 1 0 339.367 1.959 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000756933259 579960402 /nfs/dbraw/zinc/96/04/02/579960402.db2.gz NEPCLCHZCSFCFP-AWEZNQCLSA-N 1 0 331.376 1.497 20 5 EDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000758773449 579991510 /nfs/dbraw/zinc/99/15/10/579991510.db2.gz YSQJSUUAOFRQRC-JKSUJKDBSA-N 1 0 348.403 1.300 20 5 EDBDRO O=C1CN([C@H]2CCN(Cn3cc([N+](=O)[O-])cn3)C2)c2ccccc2N1 ZINC000758971275 579995497 /nfs/dbraw/zinc/99/54/97/579995497.db2.gz HBBUUDZLELWKCK-LBPRGKRZSA-N 1 0 342.359 1.282 20 5 EDBDRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000762817081 580084456 /nfs/dbraw/zinc/08/44/56/580084456.db2.gz BHTNLCWHPHXQTP-ZDUSSCGKSA-N 1 0 328.756 1.436 20 5 EDBDRO COCC[N@@H+]1CCCN(c2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000771085076 580279647 /nfs/dbraw/zinc/27/96/47/580279647.db2.gz DJYFEGZPABUGKI-UHFFFAOYSA-N 1 0 327.356 1.901 20 5 EDBDRO O=C(C[NH2+][C@H](CCO)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000771804324 580294765 /nfs/dbraw/zinc/29/47/65/580294765.db2.gz RNEUIHJWOAHXLR-LLVKDONJSA-N 1 0 327.768 1.937 20 5 EDBDRO Cc1nn(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000779868607 580500300 /nfs/dbraw/zinc/50/03/00/580500300.db2.gz ZMFQHMDBFBPYAY-HIFRSBDPSA-N 1 0 336.440 1.015 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[N@H+]2CCC[C@H]2C)c1C ZINC000780868256 580536154 /nfs/dbraw/zinc/53/61/54/580536154.db2.gz RSARVJGQUBLOEI-GFCCVEGCSA-N 1 0 341.433 1.974 20 5 EDBDRO C/C(=C\C(=O)NCC[N@@H+]1CCCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000783850959 580607530 /nfs/dbraw/zinc/60/75/30/580607530.db2.gz PBOOXANETXTAQB-BUHFOSPRSA-N 1 0 333.388 1.837 20 5 EDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000783918275 580608363 /nfs/dbraw/zinc/60/83/63/580608363.db2.gz QJZZALFSBYVPFS-LLVKDONJSA-N 1 0 335.360 1.580 20 5 EDBDRO Cc1c(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000790293232 580766186 /nfs/dbraw/zinc/76/61/86/580766186.db2.gz VJKXCXAVVLBRSJ-CABCVRRESA-N 1 0 348.403 1.566 20 5 EDBDRO C[N@@H+]1CCN(CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1(C)C ZINC000799744877 581035889 /nfs/dbraw/zinc/03/58/89/581035889.db2.gz SBOWHKLBKALHBA-UHFFFAOYSA-N 1 0 338.383 1.490 20 5 EDBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])cc2)CC1 ZINC000801601508 581081268 /nfs/dbraw/zinc/08/12/68/581081268.db2.gz IGXFBAWYSJPUFP-UHFFFAOYSA-N 1 0 344.375 1.712 20 5 EDBDRO CC[NH2+]CCNC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000891995377 590735033 /nfs/dbraw/zinc/73/50/33/590735033.db2.gz NQELFKPTJOQVET-UHFFFAOYSA-N 1 0 345.197 1.766 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+]2CC)cc1OC ZINC000893872443 591124124 /nfs/dbraw/zinc/12/41/24/591124124.db2.gz SVLUAZWMUGUCNA-NSHDSACASA-N 1 0 337.376 1.826 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)CC[N@H+](C)CCO ZINC000894590369 591350603 /nfs/dbraw/zinc/35/06/03/591350603.db2.gz FNMYQEVUCILWOW-UHFFFAOYSA-N 1 0 345.783 1.395 20 5 EDBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC([NH+]2CCCC2)C1 ZINC000898613556 591439843 /nfs/dbraw/zinc/43/98/43/591439843.db2.gz NDBFPPSIWPNNIZ-UHFFFAOYSA-N 1 0 341.371 1.701 20 5 EDBDRO C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000896536070 591500909 /nfs/dbraw/zinc/50/09/09/591500909.db2.gz UXVFHBKPZHQWDZ-SJWGOKEGSA-N 1 0 346.431 1.449 20 5 EDBDRO C[C@@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000896539223 591502444 /nfs/dbraw/zinc/50/24/44/591502444.db2.gz KRWAKHJGTCCHIH-CZUORRHYSA-N 1 0 348.447 1.623 20 5 EDBDRO C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896561407 591514230 /nfs/dbraw/zinc/51/42/30/591514230.db2.gz AHGNCZWJDXXGJH-YGRLFVJLSA-N 1 0 340.811 1.612 20 5 EDBDRO C[C@@H](Nc1cc(F)c([N+](=O)[O-])cc1CO)[C@@H]1C[N@H+](C)CCN1C ZINC000895248368 591677885 /nfs/dbraw/zinc/67/78/85/591677885.db2.gz KQDKJWGNNFIYIL-BMIGLBTASA-N 1 0 326.372 1.272 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000897942339 591731682 /nfs/dbraw/zinc/73/16/82/591731682.db2.gz MDDXSLUIHDEXRM-CQSZACIVSA-N 1 0 347.419 1.511 20 5 EDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000898038126 591764841 /nfs/dbraw/zinc/76/48/41/591764841.db2.gz GSGXPIWTRWVKHA-GFCCVEGCSA-N 1 0 349.387 1.970 20 5 EDBDRO CCC1([NH+]2CCC2)CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000899562954 591852832 /nfs/dbraw/zinc/85/28/32/591852832.db2.gz NDBJNJPXQZXMCL-UHFFFAOYSA-N 1 0 349.435 1.967 20 5 EDBDRO CN1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+](C)CC1 ZINC000899652910 591886044 /nfs/dbraw/zinc/88/60/44/591886044.db2.gz HNABAVXLPQIDPV-UHFFFAOYSA-N 1 0 337.449 1.471 20 5 EDBDRO CN(C(=O)CN[C@@H]1CC[NH2+]C12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000903485246 592178154 /nfs/dbraw/zinc/17/81/54/592178154.db2.gz KYIIRRNJMJVBGM-OAHLLOKOSA-N 1 0 332.404 1.822 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000900966930 592187430 /nfs/dbraw/zinc/18/74/30/592187430.db2.gz IPDGNPIXAIDAOD-GUYCJALGSA-N 1 0 335.404 1.927 20 5 EDBDRO Cn1cnc([C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]2[NH3+])c1 ZINC000904491473 592271880 /nfs/dbraw/zinc/27/18/80/592271880.db2.gz PBOPWGZWUXACRR-TZMCWYRMSA-N 1 0 335.795 1.908 20 5 EDBDRO CC[C@@H](NC(=O)C1CN(C)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000906916213 592424551 /nfs/dbraw/zinc/42/45/51/592424551.db2.gz WZCCWSWEOHJOAG-MRXNPFEDSA-N 1 0 334.420 1.656 20 5 EDBDRO CC(C)[NH2+]C1(CO)CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000908586695 592554622 /nfs/dbraw/zinc/55/46/22/592554622.db2.gz FPEVACVPKZFSTJ-UHFFFAOYSA-N 1 0 335.404 1.489 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCN2C2CCOCC2)cc1 ZINC000905618824 592595494 /nfs/dbraw/zinc/59/54/94/592595494.db2.gz JMTQFNRBPRLJFS-IAGOWNOFSA-N 1 0 335.404 1.471 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906530216 592843104 /nfs/dbraw/zinc/84/31/04/592843104.db2.gz WMTIIJUZVXACLV-LBPRGKRZSA-N 1 0 349.387 1.922 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000912050695 593056904 /nfs/dbraw/zinc/05/69/04/593056904.db2.gz ZSMMRGDRYQILQR-TXEJJXNPSA-N 1 0 349.387 1.826 20 5 EDBDRO Cc1nn(CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000782900093 593129844 /nfs/dbraw/zinc/12/98/44/593129844.db2.gz XCFKGGUQBRMJHO-LBPRGKRZSA-N 1 0 337.424 1.551 20 5 EDBDRO C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815557602 593642584 /nfs/dbraw/zinc/64/25/84/593642584.db2.gz YXSZMBRKZGHPQL-SNVBAGLBSA-N 1 0 342.421 1.252 20 5 EDBDRO COCCC[NH+]1CCC(NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819006736 593733749 /nfs/dbraw/zinc/73/37/49/593733749.db2.gz JVJJBBUZDUCIML-KRWDZBQOSA-N 1 0 337.420 1.719 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)c1 ZINC000819175908 593742983 /nfs/dbraw/zinc/74/29/83/593742983.db2.gz CZPGOSWAGFKFKI-CYBMUJFWSA-N 1 0 328.731 1.907 20 5 EDBDRO CS(=O)(=O)CC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819376958 593752595 /nfs/dbraw/zinc/75/25/95/593752595.db2.gz LAUWUPTWGWXOFA-AWEZNQCLSA-N 1 0 342.417 1.433 20 5 EDBDRO C[C@H]1C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2F)C[C@H](C)O1 ZINC000820217295 593799839 /nfs/dbraw/zinc/79/98/39/593799839.db2.gz HUQTYEMEJMDTQO-RYUDHWBXSA-N 1 0 339.367 1.963 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821581302 593868303 /nfs/dbraw/zinc/86/83/03/593868303.db2.gz IEKSNYSIJWLCIT-UWVGGRQHSA-N 1 0 332.368 1.455 20 5 EDBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823927473 593889428 /nfs/dbraw/zinc/88/94/28/593889428.db2.gz YVEVKJQKOHBZAX-WDEREUQCSA-N 1 0 337.380 1.096 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823986598 593902101 /nfs/dbraw/zinc/90/21/01/593902101.db2.gz KFUSYLAXSUWWEG-UHFFFAOYSA-N 1 0 325.369 1.267 20 5 EDBDRO COC[C@]1(c2nc(CCNc3ccccc3[N+](=O)[O-])no2)CC[NH2+]C1 ZINC000822791275 594100953 /nfs/dbraw/zinc/10/09/53/594100953.db2.gz QNMDCMPSBIIWJK-INIZCTEOSA-N 1 0 347.375 1.510 20 5 EDBDRO C[C@@H]([NH3+])[C@H](C)c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000823114649 594155458 /nfs/dbraw/zinc/15/54/58/594155458.db2.gz FUPVRJLEADNVSP-VHSXEESVSA-N 1 0 333.348 1.287 20 5 EDBDRO CCC[NH+]1CCC(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825542742 594198802 /nfs/dbraw/zinc/19/88/02/594198802.db2.gz YOWVWNZUKASNJE-INIZCTEOSA-N 1 0 335.404 1.866 20 5 EDBDRO C[NH+](C)CCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825870471 594266176 /nfs/dbraw/zinc/26/61/76/594266176.db2.gz NRIALHZHEQWPSR-UHFFFAOYSA-N 1 0 328.336 1.297 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC000828686846 594480269 /nfs/dbraw/zinc/48/02/69/594480269.db2.gz VPNXVXFQCPENRB-UHFFFAOYSA-N 1 0 345.346 1.880 20 5 EDBDRO O=C(CC[N@H+]1CC[C@](O)(C(F)F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000831181246 594576591 /nfs/dbraw/zinc/57/65/91/594576591.db2.gz IHJOZSQGCQVDHR-CQSZACIVSA-N 1 0 347.293 1.764 20 5 EDBDRO C[N@H+](CCCO)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000831272140 594596530 /nfs/dbraw/zinc/59/65/30/594596530.db2.gz RHCFLBKSFDKOTN-UHFFFAOYSA-N 1 0 339.367 1.653 20 5 EDBDRO CCO[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C[NH+](C)C ZINC000831752151 594699543 /nfs/dbraw/zinc/69/95/43/594699543.db2.gz WCBXCWSTTCKHAX-OAHLLOKOSA-N 1 0 348.403 1.632 20 5 EDBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000841151437 594859261 /nfs/dbraw/zinc/85/92/61/594859261.db2.gz VIWBEKBFILOSNI-UHFFFAOYSA-N 1 0 348.403 1.653 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000841226118 594872479 /nfs/dbraw/zinc/87/24/79/594872479.db2.gz SQFVUKPWNOTMPQ-BDAKNGLRSA-N 1 0 340.767 1.573 20 5 EDBDRO Nc1ccc(-c2noc(-c3cn(CCCC[NH3+])nn3)n2)cc1[N+](=O)[O-] ZINC000841822477 594958412 /nfs/dbraw/zinc/95/84/12/594958412.db2.gz QKEYAOVUGFKJAK-UHFFFAOYSA-N 1 0 344.335 1.224 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1Cl ZINC000836779782 594997230 /nfs/dbraw/zinc/99/72/30/594997230.db2.gz VETWJJPYBQBHGG-CQSZACIVSA-N 1 0 329.784 1.599 20 5 EDBDRO CC(=O)c1ccc(N2CCN(CC[NH+](C)C)C(=O)C2)c([N+](=O)[O-])c1 ZINC000845635940 595036366 /nfs/dbraw/zinc/03/63/66/595036366.db2.gz SABCEVQOGJLCGF-UHFFFAOYSA-N 1 0 334.376 1.008 20 5 EDBDRO CC(C)([NH3+])CCc1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000843236340 595045917 /nfs/dbraw/zinc/04/59/17/595045917.db2.gz ALEQCYKAAFWKAS-UHFFFAOYSA-N 1 0 343.347 1.895 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)cc1 ZINC000834353693 595100952 /nfs/dbraw/zinc/10/09/52/595100952.db2.gz MLIPBIFZATWVOA-IRXDYDNUSA-N 1 0 334.347 1.961 20 5 EDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000843503240 595133769 /nfs/dbraw/zinc/13/37/69/595133769.db2.gz JDAOKCNTQIXYJZ-NWDGAFQWSA-N 1 0 336.392 1.287 20 5 EDBDRO CC[C@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH3+] ZINC000834641200 595182383 /nfs/dbraw/zinc/18/23/83/595182383.db2.gz FKSSIINESCDXTK-SMDDNHRTSA-N 1 0 331.376 1.530 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000842789814 595200133 /nfs/dbraw/zinc/20/01/33/595200133.db2.gz YUQRPERYSVPKTQ-NXEZZACHSA-N 1 0 347.824 1.914 20 5 EDBDRO Cc1nn(C)c(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC000834795945 595214859 /nfs/dbraw/zinc/21/48/59/595214859.db2.gz NSJIAOIDDFDVMD-UHFFFAOYSA-N 1 0 335.408 1.774 20 5 EDBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[C@]3(C1)CCC[NH2+]C3)OCCO2 ZINC000843115078 595290367 /nfs/dbraw/zinc/29/03/67/595290367.db2.gz GFRPNEMKQCAAFK-QGZVFWFLSA-N 1 0 333.388 1.942 20 5 EDBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848306675 595357678 /nfs/dbraw/zinc/35/76/78/595357678.db2.gz XGXRDSSHXNCRPD-VGQMVEDTSA-N 1 0 331.372 1.276 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1F ZINC000848476082 595388741 /nfs/dbraw/zinc/38/87/41/595388741.db2.gz XWXDRNJHOQDRPL-PHIMTYICSA-N 1 0 345.396 1.661 20 5 EDBDRO CCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CC[N@H+](C)C1 ZINC000855363742 595686781 /nfs/dbraw/zinc/68/67/81/595686781.db2.gz WHBWMSOXSILTAC-LLVKDONJSA-N 1 0 325.340 1.665 20 5 EDBDRO Cc1nn(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000853559844 595804334 /nfs/dbraw/zinc/80/43/34/595804334.db2.gz VHKUPWQLZZQYPD-DOMZBBRYSA-N 1 0 343.387 1.811 20 5 EDBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855902649 595852247 /nfs/dbraw/zinc/85/22/47/595852247.db2.gz JOVXSRGUQUMTDB-CJNGLKHVSA-N 1 0 335.404 1.865 20 5 EDBDRO CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852696544 596229304 /nfs/dbraw/zinc/22/93/04/596229304.db2.gz CJFPIVVVEPNIJE-HOCLYGCPSA-N 1 0 335.404 1.865 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000852707748 596230857 /nfs/dbraw/zinc/23/08/57/596230857.db2.gz KDYTWJUDROWJJY-IAGOWNOFSA-N 1 0 335.404 1.159 20 5 EDBDRO CC[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cccc([N+](=O)[O-])c1 ZINC000866518882 596238358 /nfs/dbraw/zinc/23/83/58/596238358.db2.gz IMCKALMIAMONFS-ZBFHGGJFSA-N 1 0 335.360 1.857 20 5 EDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]23COC(=O)N2CCOC3)cc1[N+](=O)[O-] ZINC000866519931 596238970 /nfs/dbraw/zinc/23/89/70/596238970.db2.gz YHWKGOAQJLIJLW-MLGOLLRUSA-N 1 0 335.360 1.775 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866827509 596368456 /nfs/dbraw/zinc/36/84/56/596368456.db2.gz NWZBPPXGCFSFFQ-WDEREUQCSA-N 1 0 345.808 1.763 20 5 EDBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119411426 596559586 /nfs/dbraw/zinc/55/95/86/596559586.db2.gz PCEZHYSSEBJQQA-UHFFFAOYSA-N 1 0 333.435 1.761 20 5 EDBDRO C[C@@H]1C[C@@H](N(C)C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000867947052 596629507 /nfs/dbraw/zinc/62/95/07/596629507.db2.gz YAERLDNEXKUQAQ-IFIJOSMWSA-N 1 0 334.420 1.710 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N(CCOC)CC1CC[NH+](C)CC1 ZINC000865997696 596752590 /nfs/dbraw/zinc/75/25/90/596752590.db2.gz MFKDESRJVVLCFH-UHFFFAOYSA-N 1 0 339.440 1.914 20 5 EDBDRO COCCN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])c2nonc21 ZINC000865996745 596752830 /nfs/dbraw/zinc/75/28/30/596752830.db2.gz NVGKNKJUBWOQIC-UHFFFAOYSA-N 1 0 349.391 1.926 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119891114 596779616 /nfs/dbraw/zinc/77/96/16/596779616.db2.gz KNUMJJSKLSLZTC-JTQLQIEISA-N 1 0 333.435 1.619 20 5 EDBDRO CN1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])c4nonc43)CC2)CC1 ZINC000866214136 596830477 /nfs/dbraw/zinc/83/04/77/596830477.db2.gz KAMJJCJBYJDHLO-UHFFFAOYSA-N 1 0 346.391 1.347 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(Cn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@H]21 ZINC000872726095 597047869 /nfs/dbraw/zinc/04/78/69/597047869.db2.gz LINYZOAKGKTIPC-WCQYABFASA-N 1 0 332.360 1.486 20 5 EDBDRO O=C1NCCC12CC[NH+](Cn1ncc3ccc([N+](=O)[O-])cc31)CC2 ZINC000872789149 597069520 /nfs/dbraw/zinc/06/95/20/597069520.db2.gz WBUWEJNBQHUCOZ-UHFFFAOYSA-N 1 0 329.360 1.504 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c(C)c1[N+](=O)[O-] ZINC000874840569 597193625 /nfs/dbraw/zinc/19/36/25/597193625.db2.gz PJBCKTPXTYHYNM-UONOGXRCSA-N 1 0 335.408 1.493 20 5 EDBDRO CC[C@H]1COCCN1CC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000873188452 597222196 /nfs/dbraw/zinc/22/21/96/597222196.db2.gz GXUSIIBGGWEYCC-ZDUSSCGKSA-N 1 0 339.392 1.509 20 5 EDBDRO CO[C@H]1C[NH2+][C@](C)(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000876568768 597244398 /nfs/dbraw/zinc/24/43/98/597244398.db2.gz RFIVJDZFPWIIMP-DOMZBBRYSA-N 1 0 341.795 1.974 20 5 EDBDRO C[C@@H](Cc1cnccn1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000876976834 597403414 /nfs/dbraw/zinc/40/34/14/597403414.db2.gz RDYCFNDNDVEMCV-ZDUSSCGKSA-N 1 0 342.403 1.969 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000877366944 597502447 /nfs/dbraw/zinc/50/24/47/597502447.db2.gz MAMIBDMMXIUNLI-WDEREUQCSA-N 1 0 331.294 1.733 20 5 EDBDRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000877722677 597551321 /nfs/dbraw/zinc/55/13/21/597551321.db2.gz FBBLZZQTDPCVBC-PEBVRCNWSA-N 1 0 348.355 1.797 20 5 EDBDRO COc1ccc([C@H]2CN(CCn3c(C)ncc3[N+](=O)[O-])CC[NH2+]2)cc1 ZINC000879523196 597616834 /nfs/dbraw/zinc/61/68/34/597616834.db2.gz VHFVATMIUBINKS-MRXNPFEDSA-N 1 0 345.403 1.755 20 5 EDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879577196 597639845 /nfs/dbraw/zinc/63/98/45/597639845.db2.gz VZHJXMARKNFOKT-IOASZLSFSA-N 1 0 332.404 1.948 20 5 EDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879577195 597639940 /nfs/dbraw/zinc/63/99/40/597639940.db2.gz VZHJXMARKNFOKT-DVOMOZLQSA-N 1 0 332.404 1.948 20 5 EDBDRO CC(C)(C)OCCC[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000880411782 597925909 /nfs/dbraw/zinc/92/59/09/597925909.db2.gz KYIHVTBAWLYXMU-UHFFFAOYSA-N 1 0 339.440 1.614 20 5 EDBDRO O=C(NCC1C[NH+](CCCc2cccc(F)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031662541 697439602 /nfs/dbraw/zinc/43/96/02/697439602.db2.gz GZMIAQKLNIZWOQ-HZPDHXFCSA-N 1 0 335.379 1.472 20 5 EDBDRO Cc1nc(C)c(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC000940108190 700220883 /nfs/dbraw/zinc/22/08/83/700220883.db2.gz ZQCPXLKQRGRXKM-CHWSQXEVSA-N 1 0 336.392 1.427 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)C2(CF)CC2)CC1 ZINC000996987526 703245085 /nfs/dbraw/zinc/24/50/85/703245085.db2.gz IXPKUFXDTMZWTF-UHFFFAOYSA-N 1 0 339.371 1.159 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CC1CCN(C(=O)CCC2CC2)CC1 ZINC000997630851 703927443 /nfs/dbraw/zinc/92/74/43/703927443.db2.gz UBUQEWLFCCXNED-UHFFFAOYSA-N 1 0 349.435 1.847 20 5 EDBDRO COc1cc(C[NH2+]CCc2cc(C)n(C)n2)c([N+](=O)[O-])cc1OC ZINC000922689656 704237573 /nfs/dbraw/zinc/23/75/73/704237573.db2.gz KKWCDSDWJSOAJJ-UHFFFAOYSA-N 1 0 334.376 1.986 20 5 EDBDRO O=C(NCC1CC[NH+](CC2CC(F)(F)C2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001400970 708137936 /nfs/dbraw/zinc/13/79/36/708137936.db2.gz WPZVTTAVJGKMBL-CHWSQXEVSA-N 1 0 331.363 1.525 20 5 EDBDRO CCn1cc(CC[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC001005381492 708812056 /nfs/dbraw/zinc/81/20/56/708812056.db2.gz LOWXKOHTFGADHC-HZPDHXFCSA-N 1 0 349.435 1.034 20 5 EDBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cc(C3CC3)no2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034645596 710321982 /nfs/dbraw/zinc/32/19/82/710321982.db2.gz UCCMVCDYEBAVAB-ZNEHSRBWSA-N 1 0 348.403 1.734 20 5 EDBDRO CCc1n[nH]c(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000174386120 529466506 /nfs/dbraw/zinc/46/65/06/529466506.db2.gz YATCSEZNDGESNW-LBPRGKRZSA-N 1 0 335.408 1.828 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000174857831 231325887 /nfs/dbraw/zinc/32/58/87/231325887.db2.gz JFDWKOHZAKJKSR-OAHLLOKOSA-N 1 0 329.404 1.998 20 5 EDBDRO C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCCC[C@H]1C ZINC000559683249 306257811 /nfs/dbraw/zinc/25/78/11/306257811.db2.gz UMWCXGVYQNRZLO-UMVBOHGHSA-N 1 0 325.413 1.005 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000561159709 306283150 /nfs/dbraw/zinc/28/31/50/306283150.db2.gz VMEUHCCLXUGHDL-STQMWFEESA-N 1 0 334.376 1.225 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000068037390 215271930 /nfs/dbraw/zinc/27/19/30/215271930.db2.gz FEEMSYDTQUURRX-UHFFFAOYSA-N 1 0 327.406 1.618 20 5 EDBDRO CC(C)[NH+]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000068263737 215295713 /nfs/dbraw/zinc/29/57/13/215295713.db2.gz VOVQJVMNPYQNIS-UHFFFAOYSA-N 1 0 335.360 1.339 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000104556057 219394075 /nfs/dbraw/zinc/39/40/75/219394075.db2.gz KSNPJZZIPHWIKN-UHFFFAOYSA-N 1 0 340.336 1.153 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](Cc2ccccc2)C2CC2)c1 ZINC000181556556 234228776 /nfs/dbraw/zinc/22/87/76/234228776.db2.gz GAYQYVPUXKIBBH-IRXDYDNUSA-N 1 0 330.388 1.763 20 5 EDBDRO CC(C)c1ccc(CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000563430415 306332775 /nfs/dbraw/zinc/33/27/75/306332775.db2.gz BEYUCZVRRBHWIK-DZGCQCFKSA-N 1 0 332.404 1.462 20 5 EDBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000041663389 138103533 /nfs/dbraw/zinc/10/35/33/138103533.db2.gz UHZABOONNHYYMQ-GFCCVEGCSA-N 1 0 334.376 1.524 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000078691448 138258552 /nfs/dbraw/zinc/25/85/52/138258552.db2.gz WXSZVJHJGBMEOX-UHFFFAOYSA-N 1 0 348.403 1.834 20 5 EDBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+](CCO)CCN1CCOCC1 ZINC000092186464 138286716 /nfs/dbraw/zinc/28/67/16/138286716.db2.gz SACDXTIIPQELOA-HWKANZROSA-N 1 0 335.404 1.235 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150885570 283368056 /nfs/dbraw/zinc/36/80/56/283368056.db2.gz RLVBKAVDKFSWGQ-LBPRGKRZSA-N 1 0 333.392 1.543 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Br)C[C@@H]12 ZINC000261606228 283597732 /nfs/dbraw/zinc/59/77/32/283597732.db2.gz RMTKIEIIMVIWPV-BCMRRPTOSA-N 1 0 327.182 1.926 20 5 EDBDRO COc1ccc(OCC[N@H+](CC(N)=O)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000131146018 223208709 /nfs/dbraw/zinc/20/87/09/223208709.db2.gz OJSABHPWJNMSTP-UHFFFAOYSA-N 1 0 325.365 1.568 20 5 EDBDRO C[C@H]1[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCC[N@@H+]1C ZINC000343412419 291287671 /nfs/dbraw/zinc/28/76/71/291287671.db2.gz GFVCZQCLLSVBEW-JQWIXIFHSA-N 1 0 335.360 1.579 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000076160510 216721402 /nfs/dbraw/zinc/72/14/02/216721402.db2.gz RJKLCGHTTBRLIT-NSHDSACASA-N 1 0 325.390 1.357 20 5 EDBDRO O=[N+]([O-])c1cc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cs1 ZINC000414994611 304149423 /nfs/dbraw/zinc/14/94/23/304149423.db2.gz VQEPPYWGKGYKTR-JTQLQIEISA-N 1 0 338.355 1.582 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000110355143 220032899 /nfs/dbraw/zinc/03/28/99/220032899.db2.gz PZJNUSHYKAGUQG-ZDUSSCGKSA-N 1 0 345.403 1.736 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000078760499 217114760 /nfs/dbraw/zinc/11/47/60/217114760.db2.gz ZNVHYGJCFTZXIA-GFCCVEGCSA-N 1 0 327.406 1.618 20 5 EDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000236664037 139028031 /nfs/dbraw/zinc/02/80/31/139028031.db2.gz GYLUUEJYRVXJAY-ZDUSSCGKSA-N 1 0 331.376 1.884 20 5 EDBDRO COC(=O)CNC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000111206117 220110423 /nfs/dbraw/zinc/11/04/23/220110423.db2.gz JITKIHKROVWIKG-UHFFFAOYSA-N 1 0 337.376 1.485 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000237567579 139054384 /nfs/dbraw/zinc/05/43/84/139054384.db2.gz PHANAVDGPBYSAQ-XHDPSFHLSA-N 1 0 344.375 1.517 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237891701 139062924 /nfs/dbraw/zinc/06/29/24/139062924.db2.gz ZXPMJUYNNNKVHL-INIZCTEOSA-N 1 0 325.368 1.968 20 5 EDBDRO [NH3+]C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000237877145 139062598 /nfs/dbraw/zinc/06/25/98/139062598.db2.gz DMRRLZUGABZAEN-LBPRGKRZSA-N 1 0 342.193 1.753 20 5 EDBDRO [NH3+]CC1(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000111832804 220201758 /nfs/dbraw/zinc/20/17/58/220201758.db2.gz AMVASEZKVQBNMM-UHFFFAOYSA-N 1 0 333.797 1.798 20 5 EDBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245420710 139073553 /nfs/dbraw/zinc/07/35/53/139073553.db2.gz HRFDXRXKYBCXBJ-SWLSCSKDSA-N 1 0 334.420 1.856 20 5 EDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000415313476 304192157 /nfs/dbraw/zinc/19/21/57/304192157.db2.gz HZMHZRNYXNSPJA-QMMMGPOBSA-N 1 0 326.740 1.055 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000247640788 139153214 /nfs/dbraw/zinc/15/32/14/139153214.db2.gz SWBMGUCZGDXLDJ-RHSMWYFYSA-N 1 0 348.378 1.856 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000415386990 304211222 /nfs/dbraw/zinc/21/12/22/304211222.db2.gz BVEMEGXHOWSYJS-LLVKDONJSA-N 1 0 334.376 1.164 20 5 EDBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000248927213 139180930 /nfs/dbraw/zinc/18/09/30/139180930.db2.gz XIXCUWCZWPUFLW-WCQYABFASA-N 1 0 329.360 1.568 20 5 EDBDRO COc1ccccc1[C@@H]1C[NH2+]CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000261636020 139213227 /nfs/dbraw/zinc/21/32/27/139213227.db2.gz FIAZGBPBJXPYKB-AWEZNQCLSA-N 1 0 331.376 1.446 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1[NH2+]CCc2ccccc21 ZINC000261680072 139217015 /nfs/dbraw/zinc/21/70/15/139217015.db2.gz MOGCJTWDXZGXQY-CQSZACIVSA-N 1 0 327.344 1.388 20 5 EDBDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000261725230 139220782 /nfs/dbraw/zinc/22/07/82/139220782.db2.gz IUYZWQVJMJHMKW-HNNXBMFYSA-N 1 0 331.376 1.354 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261753984 139223232 /nfs/dbraw/zinc/22/32/32/139223232.db2.gz JFDKQIMHYNZHBG-LALPHHSUSA-N 1 0 348.403 1.299 20 5 EDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000261826882 139229508 /nfs/dbraw/zinc/22/95/08/139229508.db2.gz OAZSWXWGIJQDTI-NEPJUHHUSA-N 1 0 329.360 1.590 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261869282 139232896 /nfs/dbraw/zinc/23/28/96/139232896.db2.gz LCCMPEBPLYJWKR-YUTCNCBUSA-N 1 0 339.417 1.651 20 5 EDBDRO C[NH2+]CCC1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000262144249 139254744 /nfs/dbraw/zinc/25/47/44/139254744.db2.gz YDJHZYRVCDQMGJ-UHFFFAOYSA-N 1 0 349.387 1.828 20 5 EDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262285097 139266548 /nfs/dbraw/zinc/26/65/48/139266548.db2.gz VHKTWDKRMXPNGQ-ZFWWWQNUSA-N 1 0 347.419 1.383 20 5 EDBDRO CNS(=O)(=O)c1ccc(N[C@@H]2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000262382405 139274865 /nfs/dbraw/zinc/27/48/65/139274865.db2.gz YXCZJVUTYAHNDU-GXSJLCMTSA-N 1 0 328.394 1.042 20 5 EDBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000262402815 139276514 /nfs/dbraw/zinc/27/65/14/139276514.db2.gz RGRILUMMZBSWMY-UHFFFAOYSA-N 1 0 344.371 1.134 20 5 EDBDRO Cc1ccc(NCCCNC(=O)NC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000417716731 251239345 /nfs/dbraw/zinc/23/93/45/251239345.db2.gz LYYJLGANAPLJHF-UHFFFAOYSA-N 1 0 335.408 1.756 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000415585095 304232975 /nfs/dbraw/zinc/23/29/75/304232975.db2.gz UKNNEZQXAKJMGN-IACUBPJLSA-N 1 0 346.387 1.428 20 5 EDBDRO Cn1ccnc1C(=O)c1ccc(N[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420182748 251634500 /nfs/dbraw/zinc/63/45/00/251634500.db2.gz KJOAVGOCFYAHDS-GFCCVEGCSA-N 1 0 329.360 1.723 20 5 EDBDRO C[C@@]1(CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CCC[NH2+]C1 ZINC000420227722 251650605 /nfs/dbraw/zinc/65/06/05/251650605.db2.gz JMTJUERCODUEAW-CYBMUJFWSA-N 1 0 328.394 1.044 20 5 EDBDRO CC[C@@H]([NH3+])CNc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] ZINC000420255072 251659896 /nfs/dbraw/zinc/65/98/96/251659896.db2.gz BCMNQBZCVNRJNH-LLVKDONJSA-N 1 0 344.437 1.775 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000420460420 251731924 /nfs/dbraw/zinc/73/19/24/251731924.db2.gz MYMUMIHTHHWQKE-JKSUJKDBSA-N 1 0 347.396 1.629 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000262794730 139304154 /nfs/dbraw/zinc/30/41/54/139304154.db2.gz DMGYAJGZUBUWIQ-ZYHUDNBSSA-N 1 0 330.348 1.046 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262895496 139311111 /nfs/dbraw/zinc/31/11/11/139311111.db2.gz XEQVNEBMGSXJQD-RNCFNFMXSA-N 1 0 330.344 1.576 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415644544 304245662 /nfs/dbraw/zinc/24/56/62/304245662.db2.gz KXXBLUUVTLRJIV-NEPJUHHUSA-N 1 0 334.376 1.536 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000415669780 304252824 /nfs/dbraw/zinc/25/28/24/304252824.db2.gz ABKDQFXJIDCHLO-LBPRGKRZSA-N 1 0 334.376 1.429 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC000357712370 285190067 /nfs/dbraw/zinc/19/00/67/285190067.db2.gz WNTUHHFQKOBEDX-WBVHZDCISA-N 1 0 348.378 1.998 20 5 EDBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000263713924 139354872 /nfs/dbraw/zinc/35/48/72/139354872.db2.gz NECOMUPBZMCXLE-HNNXBMFYSA-N 1 0 348.403 1.267 20 5 EDBDRO Cc1sc(S(=O)(=O)N2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000487334393 255029325 /nfs/dbraw/zinc/02/93/25/255029325.db2.gz FECCYKTXESHOIL-AOOOYVTPSA-N 1 0 331.419 1.147 20 5 EDBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H]1CCn2ccnc2C1 ZINC000491928421 255155388 /nfs/dbraw/zinc/15/53/88/255155388.db2.gz FUDFJZRSRCHDHH-VIFPVBQESA-N 1 0 340.336 1.224 20 5 EDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492340531 255171481 /nfs/dbraw/zinc/17/14/81/255171481.db2.gz KOOXDAMSOROAST-KVPUOBJLSA-N 1 0 335.404 1.817 20 5 EDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000493127424 255192866 /nfs/dbraw/zinc/19/28/66/255192866.db2.gz RYPZNIOXXMEJDO-GEABSHSMSA-N 1 0 331.372 1.587 20 5 EDBDRO C[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nncn1C ZINC000494788589 255261670 /nfs/dbraw/zinc/26/16/70/255261670.db2.gz SROCLDCUIVKEIH-SNVBAGLBSA-N 1 0 346.347 1.372 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000117340956 221055877 /nfs/dbraw/zinc/05/58/77/221055877.db2.gz YJMSQVJFLASTFD-AWEZNQCLSA-N 1 0 348.403 1.919 20 5 EDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000118118297 221123082 /nfs/dbraw/zinc/12/30/82/221123082.db2.gz NLGLJMSCGZUNIU-LBPRGKRZSA-N 1 0 336.392 1.688 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000264118921 139381308 /nfs/dbraw/zinc/38/13/08/139381308.db2.gz CRPKYWCKIMYSID-UHFFFAOYSA-N 1 0 335.360 1.991 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000264183746 139385112 /nfs/dbraw/zinc/38/51/12/139385112.db2.gz ZKVGFNUXICLQOD-UHFFFAOYSA-N 1 0 341.433 1.866 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000264227473 139388361 /nfs/dbraw/zinc/38/83/61/139388361.db2.gz XHFNWLUSHBILGK-UHFFFAOYSA-N 1 0 339.392 1.400 20 5 EDBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000264354075 139399597 /nfs/dbraw/zinc/39/95/97/139399597.db2.gz ZZOXKHPKADUKGI-UHFFFAOYSA-N 1 0 333.388 1.970 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000186796719 533297799 /nfs/dbraw/zinc/29/77/99/533297799.db2.gz LVDFJOUIFRXOMP-GFCCVEGCSA-N 1 0 348.403 1.266 20 5 EDBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(-n2cncn2)cc1 ZINC000181868553 533406457 /nfs/dbraw/zinc/40/64/57/533406457.db2.gz ABVLIVKJMSISKB-GFCCVEGCSA-N 1 0 327.348 1.723 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000270587219 140129377 /nfs/dbraw/zinc/12/93/77/140129377.db2.gz SFMPFOONMIEHEX-AWEZNQCLSA-N 1 0 330.344 1.305 20 5 EDBDRO C[C@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1[NH+](C)C ZINC000270651257 140141103 /nfs/dbraw/zinc/14/11/03/140141103.db2.gz MAMDRYPFIPACFT-LRDDRELGSA-N 1 0 332.404 1.366 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373059076 296504856 /nfs/dbraw/zinc/50/48/56/296504856.db2.gz SZPKDBVZGFDTAJ-MWLCHTKSSA-N 1 0 345.808 1.621 20 5 EDBDRO CN(C(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000271305749 140274874 /nfs/dbraw/zinc/27/48/74/140274874.db2.gz JXQSUIBMLQDDRN-UHFFFAOYSA-N 1 0 335.389 1.766 20 5 EDBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(F)cccc1F ZINC000271836053 140358697 /nfs/dbraw/zinc/35/86/97/140358697.db2.gz XRLQNELEIAERFU-KOLCDFICSA-N 1 0 326.303 1.781 20 5 EDBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331634566 141059798 /nfs/dbraw/zinc/05/97/98/141059798.db2.gz IXCHZCJNKCDVLI-DOTOQJQBSA-N 1 0 333.388 1.625 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC([NH+](C)C)CC2)c(C)cc1[N+](=O)[O-] ZINC000416377023 304313142 /nfs/dbraw/zinc/31/31/42/304313142.db2.gz WOUWZWVTUNWNGO-UHFFFAOYSA-N 1 0 341.433 1.926 20 5 EDBDRO COC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000342300187 142707424 /nfs/dbraw/zinc/70/74/24/142707424.db2.gz CKDCCKHTAQXPAJ-GJZGRUSLSA-N 1 0 338.339 1.269 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000345873687 143142057 /nfs/dbraw/zinc/14/20/57/143142057.db2.gz IAWUKACGZKPNGE-CHWSQXEVSA-N 1 0 337.424 1.869 20 5 EDBDRO COc1ccc(CSCC(=O)N[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000346224336 143180634 /nfs/dbraw/zinc/18/06/34/143180634.db2.gz NKWATKGKCBXVMS-LLVKDONJSA-N 1 0 341.433 1.903 20 5 EDBDRO C[C@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000347104138 143283071 /nfs/dbraw/zinc/28/30/71/143283071.db2.gz ZBMIRUWRHDXYSI-FZMZJTMJSA-N 1 0 347.371 1.868 20 5 EDBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000347260732 143301276 /nfs/dbraw/zinc/30/12/76/143301276.db2.gz ZICWUAXBUOCQBB-UKRRQHHQSA-N 1 0 343.387 1.743 20 5 EDBDRO CC[NH+]1C[C@H](C)N(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000347708839 143352512 /nfs/dbraw/zinc/35/25/12/143352512.db2.gz SJVVZWCGXDKWJH-DZKIICNBSA-N 1 0 337.420 1.749 20 5 EDBDRO CCOc1ccc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000347765672 143360275 /nfs/dbraw/zinc/36/02/75/143360275.db2.gz ABHGOVHUDIZCIW-GDBMZVCRSA-N 1 0 349.387 1.539 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000416562024 304332252 /nfs/dbraw/zinc/33/22/52/304332252.db2.gz NSHJNJSKMAIAMU-LBPRGKRZSA-N 1 0 327.406 1.605 20 5 EDBDRO CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000347908507 285844060 /nfs/dbraw/zinc/84/40/60/285844060.db2.gz WMLIGLKZSQKLGZ-ZIAGYGMSSA-N 1 0 348.403 1.383 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000369773918 155171552 /nfs/dbraw/zinc/17/15/52/155171552.db2.gz RKAXRJQEUCLIAS-KGLIPLIRSA-N 1 0 333.388 1.964 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000354929685 150037705 /nfs/dbraw/zinc/03/77/05/150037705.db2.gz MMMNSIUDMPLXCT-ZDUSSCGKSA-N 1 0 338.360 1.493 20 5 EDBDRO COC[C@]1(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000357273190 150978892 /nfs/dbraw/zinc/97/88/92/150978892.db2.gz NPZYUELVOSKMOB-QGZVFWFLSA-N 1 0 335.404 1.757 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000357549823 151064252 /nfs/dbraw/zinc/06/42/52/151064252.db2.gz PLWNXYIENKQIBE-GXFFZTMASA-N 1 0 331.332 1.884 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000357568363 151070413 /nfs/dbraw/zinc/07/04/13/151070413.db2.gz KSSBFKQRBNIQAO-IAQYHMDHSA-N 1 0 337.376 1.635 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000357639026 151095822 /nfs/dbraw/zinc/09/58/22/151095822.db2.gz UIOOXFTWSHRANO-ZDUSSCGKSA-N 1 0 337.420 1.880 20 5 EDBDRO C[N@@H+]1CC[C@](O)(CNc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000358303715 151332083 /nfs/dbraw/zinc/33/20/83/151332083.db2.gz KNHBYLWEDRTZTC-LBPRGKRZSA-N 1 0 330.182 1.836 20 5 EDBDRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000358307918 151332838 /nfs/dbraw/zinc/33/28/38/151332838.db2.gz LCTVDWGSZPLLQK-UHFFFAOYSA-N 1 0 342.355 1.961 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])Cc1ccccc1 ZINC000359020994 151569582 /nfs/dbraw/zinc/56/95/82/151569582.db2.gz SEXRADGSOURKFR-AWEZNQCLSA-N 1 0 343.387 1.706 20 5 EDBDRO CCC[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000359047374 151578197 /nfs/dbraw/zinc/57/81/97/151578197.db2.gz TZBUUTRNGNHUQF-CYBMUJFWSA-N 1 0 336.392 1.616 20 5 EDBDRO COc1ccc(OCC[NH2+][C@H](CO)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000359866990 151848473 /nfs/dbraw/zinc/84/84/73/151848473.db2.gz DCYWRPQHLDOLDA-CQSZACIVSA-N 1 0 340.376 1.359 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000360571462 152102207 /nfs/dbraw/zinc/10/22/07/152102207.db2.gz UZTMNSDRARVPON-MRXNPFEDSA-N 1 0 334.376 1.227 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000360874062 152237388 /nfs/dbraw/zinc/23/73/88/152237388.db2.gz ZVBLZIAOWGPHKD-VDHUWJSZSA-N 1 0 349.431 1.812 20 5 EDBDRO CC[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C[C@@H](C)O ZINC000361265922 152349526 /nfs/dbraw/zinc/34/95/26/152349526.db2.gz LOHGHZHZLPBNRC-CHWSQXEVSA-N 1 0 347.419 1.748 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363556672 152999433 /nfs/dbraw/zinc/99/94/33/152999433.db2.gz CMZRRTMGMIEVNJ-ZNMIVQPWSA-N 1 0 345.399 1.916 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2CCN3CCOC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000363801110 153059857 /nfs/dbraw/zinc/05/98/57/153059857.db2.gz RZEYLNDAILPDBB-CQSZACIVSA-N 1 0 348.403 1.248 20 5 EDBDRO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000364959773 153383905 /nfs/dbraw/zinc/38/39/05/153383905.db2.gz YDGBSRFJPJEJHJ-LUKYLMHMSA-N 1 0 331.416 1.850 20 5 EDBDRO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000367141489 154021128 /nfs/dbraw/zinc/02/11/28/154021128.db2.gz PNMZYLSMCREXHJ-AWEZNQCLSA-N 1 0 346.391 1.129 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000367454839 154128937 /nfs/dbraw/zinc/12/89/37/154128937.db2.gz XMFXEDJAPCAAHD-CQSZACIVSA-N 1 0 346.431 1.835 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000369492874 155057596 /nfs/dbraw/zinc/05/75/96/155057596.db2.gz XDDBAVDNWVLNJK-GFCCVEGCSA-N 1 0 348.403 1.624 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000373052060 156656681 /nfs/dbraw/zinc/65/66/81/156656681.db2.gz AVJJKKOEMSTEPX-OCCSQVGLSA-N 1 0 325.390 1.108 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000373778301 157000525 /nfs/dbraw/zinc/00/05/25/157000525.db2.gz SSKZZSJIIZDBNW-CVEARBPZSA-N 1 0 335.404 1.634 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc([N+](=O)[O-])c1F ZINC000373886556 157048637 /nfs/dbraw/zinc/04/86/37/157048637.db2.gz TYEFVOIUHNONOG-PWSUYJOCSA-N 1 0 343.380 1.415 20 5 EDBDRO C[N@@H+]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000374314258 157238771 /nfs/dbraw/zinc/23/87/71/157238771.db2.gz CGBAUNSZYDLQMD-GJZGRUSLSA-N 1 0 329.360 1.005 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCN(c3cncc(F)c3)CC2)c1 ZINC000374441645 157292351 /nfs/dbraw/zinc/29/23/51/157292351.db2.gz ADPXJIIUEKEQSX-UHFFFAOYSA-N 1 0 334.355 1.538 20 5 EDBDRO CN(CC(=O)N1CCC2(C1)CC[NH2+]CC2)c1ccccc1[N+](=O)[O-] ZINC000374510649 157313129 /nfs/dbraw/zinc/31/31/29/157313129.db2.gz VXWDCGIGWMLOQF-UHFFFAOYSA-N 1 0 332.404 1.633 20 5 EDBDRO Cc1cc(N2CCN(C[C@@H]3CN(C)CCO3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000377918835 158028738 /nfs/dbraw/zinc/02/87/38/158028738.db2.gz SIKKQXSLGUENIC-GJZGRUSLSA-N 1 0 349.435 1.139 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000351828803 161812291 /nfs/dbraw/zinc/81/22/91/161812291.db2.gz IPNRYOBUVQXWOC-NEPJUHHUSA-N 1 0 329.360 1.590 20 5 EDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366313246 162376158 /nfs/dbraw/zinc/37/61/58/162376158.db2.gz OVHPEPLZHIQHRF-UONOGXRCSA-N 1 0 347.371 1.477 20 5 EDBDRO C[NH2+][C@@H]1CCCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000418083801 304456231 /nfs/dbraw/zinc/45/62/31/304456231.db2.gz NIWKCKVUBCTYLT-SNVBAGLBSA-N 1 0 332.364 1.365 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000075634854 287277966 /nfs/dbraw/zinc/27/79/66/287277966.db2.gz SFJTZVUJUQWGJM-UHFFFAOYSA-N 1 0 336.392 1.568 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000158386941 225004640 /nfs/dbraw/zinc/00/46/40/225004640.db2.gz NUALXBCVNADSDF-NJZAAPMLSA-N 1 0 348.403 1.347 20 5 EDBDRO [NH3+]C1CCC(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000418380682 304488810 /nfs/dbraw/zinc/48/88/10/304488810.db2.gz FVGJMSWYUHEZIC-UHFFFAOYSA-N 1 0 347.419 1.696 20 5 EDBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000122405080 222080895 /nfs/dbraw/zinc/08/08/95/222080895.db2.gz CDGSQWILAJUCID-CQSZACIVSA-N 1 0 348.447 1.907 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000123361277 222263129 /nfs/dbraw/zinc/26/31/29/222263129.db2.gz YBGIPEQFBZBGAW-FUNVUKJBSA-N 1 0 339.417 1.773 20 5 EDBDRO COC(=O)c1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000123699919 222318847 /nfs/dbraw/zinc/31/88/47/222318847.db2.gz GSHQGFJKQMHPEE-RISCZKNCSA-N 1 0 349.387 1.936 20 5 EDBDRO C[C@H]1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@@H]1C[NH3+] ZINC000237659300 273011780 /nfs/dbraw/zinc/01/17/80/273011780.db2.gz CJQPJJQYXJKSFW-XHDPSFHLSA-N 1 0 344.375 1.375 20 5 EDBDRO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCCO1 ZINC000273381142 268038442 /nfs/dbraw/zinc/03/84/42/268038442.db2.gz HJBYNJLISQLUJW-CABZTGNLSA-N 1 0 337.332 1.419 20 5 EDBDRO C[NH+](C)C1(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CCCC1 ZINC000273523780 268057750 /nfs/dbraw/zinc/05/77/50/268057750.db2.gz XMOKLKVPGZQRNV-UHFFFAOYSA-N 1 0 342.421 1.529 20 5 EDBDRO CCOC(=O)C[C@@](C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000274836460 268218649 /nfs/dbraw/zinc/21/86/49/268218649.db2.gz GTJARLDADFDFGU-DZGCQCFKSA-N 1 0 342.396 1.110 20 5 EDBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1OC ZINC000274945980 268246346 /nfs/dbraw/zinc/24/63/46/268246346.db2.gz RFWNFLADQCANNJ-XZJROXQQSA-N 1 0 340.376 1.894 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC2([NH+](C)C)CCC2)c1C ZINC000275494645 268351141 /nfs/dbraw/zinc/35/11/41/268351141.db2.gz QBNJTJIDKIBUDU-UHFFFAOYSA-N 1 0 341.433 1.974 20 5 EDBDRO O=[N+]([O-])c1cc(C[N@@H+](CCO)C2CCOCC2)c2c(c1)COCO2 ZINC000275637683 268367110 /nfs/dbraw/zinc/36/71/10/268367110.db2.gz VWHXOFHGOLEAGV-UHFFFAOYSA-N 1 0 338.360 1.435 20 5 EDBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000274194668 273076576 /nfs/dbraw/zinc/07/65/76/273076576.db2.gz IWMIWFQCANBFBQ-YRGRVCCFSA-N 1 0 340.376 1.512 20 5 EDBDRO CC[NH+]1CCN(c2cccc(Nc3ncc([N+](=O)[O-])c(N)n3)c2)CC1 ZINC000274419098 273089054 /nfs/dbraw/zinc/08/90/54/273089054.db2.gz BSRLTRVVLLXNKA-UHFFFAOYSA-N 1 0 343.391 1.853 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000043284938 272910482 /nfs/dbraw/zinc/91/04/82/272910482.db2.gz BHKCPGIQGQRQAH-OAHLLOKOSA-N 1 0 343.387 1.745 20 5 EDBDRO C[NH2+][C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000160590100 272930101 /nfs/dbraw/zinc/93/01/01/272930101.db2.gz TWAPXEIWALLXLY-SNVBAGLBSA-N 1 0 342.193 1.720 20 5 EDBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176501897 272938145 /nfs/dbraw/zinc/93/81/45/272938145.db2.gz SPVFNEHZZATPSB-GFCCVEGCSA-N 1 0 336.392 1.360 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NC2(C[NH+](C)C)CCC2)cc([N+](=O)[O-])c1 ZINC000280985785 273422579 /nfs/dbraw/zinc/42/25/79/273422579.db2.gz BUXOOGNBGSOMSH-UHFFFAOYSA-N 1 0 349.387 1.986 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000282280810 273621622 /nfs/dbraw/zinc/62/16/22/273621622.db2.gz KYZGZEIRPPBBHY-SUNKGSAMSA-N 1 0 334.376 1.569 20 5 EDBDRO CN1CCO[C@@H]2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@H]21 ZINC000284474259 274215215 /nfs/dbraw/zinc/21/52/15/274215215.db2.gz MBRVRIIIBSRBRE-CHWSQXEVSA-N 1 0 339.779 1.793 20 5 EDBDRO C[C@@H](CO)[N@@H+]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000367451678 274228068 /nfs/dbraw/zinc/22/80/68/274228068.db2.gz SHMBZZRIPSRVAK-NSHDSACASA-N 1 0 347.375 1.137 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@](O)(Cn3ccnn3)C2)cc1 ZINC000284539484 274238152 /nfs/dbraw/zinc/23/81/52/274238152.db2.gz KMSMSQACAIDZAY-INIZCTEOSA-N 1 0 347.375 1.092 20 5 EDBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1[N+](=O)[O-] ZINC000271774122 274250555 /nfs/dbraw/zinc/25/05/55/274250555.db2.gz RASPJGVPRLLARM-PWSUYJOCSA-N 1 0 335.320 1.411 20 5 EDBDRO O=C1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2(CCC2)N1 ZINC000284848014 274357962 /nfs/dbraw/zinc/35/79/62/274357962.db2.gz RJFMIEOUWYMJHX-CYBMUJFWSA-N 1 0 334.332 1.794 20 5 EDBDRO CCC1(CC)[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)[C@H]1OC ZINC000248734820 287778557 /nfs/dbraw/zinc/77/85/57/287778557.db2.gz BUTOMLSZYVGDBO-FAAHXZRKSA-N 1 0 340.424 1.582 20 5 EDBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158561803 275014409 /nfs/dbraw/zinc/01/44/09/275014409.db2.gz JRZPXYWLQYRPJH-QGZVFWFLSA-N 1 0 341.371 1.606 20 5 EDBDRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000104103084 276925643 /nfs/dbraw/zinc/92/56/43/276925643.db2.gz JCLHNKQGCHTPNT-UHFFFAOYSA-N 1 0 345.396 1.696 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000418775215 277031439 /nfs/dbraw/zinc/03/14/39/277031439.db2.gz DMTZYQGQDOXHKU-QWHCGFSZSA-N 1 0 348.403 1.230 20 5 EDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC000193333156 277039259 /nfs/dbraw/zinc/03/92/59/277039259.db2.gz FOTBPZYQUMZVMD-GFCCVEGCSA-N 1 0 327.406 1.584 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21 ZINC000375042850 277146468 /nfs/dbraw/zinc/14/64/68/277146468.db2.gz SUSHAKGHMCVKHL-XYPHTWIQSA-N 1 0 344.415 1.726 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000186807687 277764607 /nfs/dbraw/zinc/76/46/07/277764607.db2.gz AYGZPBRSUAFEPP-TZMCWYRMSA-N 1 0 332.404 1.923 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000424044811 278048454 /nfs/dbraw/zinc/04/84/54/278048454.db2.gz LCSMQASJWBDESF-JQWIXIFHSA-N 1 0 335.360 1.165 20 5 EDBDRO CS(=O)(=O)c1cccc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1[N+](=O)[O-] ZINC000262492055 278121061 /nfs/dbraw/zinc/12/10/61/278121061.db2.gz LBVVINKOEFPTJJ-AXFHLTTASA-N 1 0 325.390 1.172 20 5 EDBDRO CSCC[C@@H]([NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237515459 278130917 /nfs/dbraw/zinc/13/09/17/278130917.db2.gz HSUFRYIRTFZBJD-GFCCVEGCSA-N 1 0 338.433 1.324 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000122127970 278312201 /nfs/dbraw/zinc/31/22/01/278312201.db2.gz AHMSBXCBBXVDGL-BMIGLBTASA-N 1 0 344.371 1.778 20 5 EDBDRO C[C@H](Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000420169918 279556222 /nfs/dbraw/zinc/55/62/22/279556222.db2.gz RMQMIKFRCOHELJ-UWVGGRQHSA-N 1 0 328.394 1.042 20 5 EDBDRO COC(=O)c1cc(C)nc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000287169378 288171935 /nfs/dbraw/zinc/17/19/35/288171935.db2.gz GWRGXMBVTBQFKG-VXGBXAGGSA-N 1 0 334.376 1.758 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261996202 280198618 /nfs/dbraw/zinc/19/86/18/280198618.db2.gz NEBAHGVZHRETII-ABAIWWIYSA-N 1 0 338.412 1.025 20 5 EDBDRO CCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C[C@H](C)OC ZINC000291284439 289031176 /nfs/dbraw/zinc/03/11/76/289031176.db2.gz QPKWHQJIXJEGLB-NSHDSACASA-N 1 0 325.365 1.899 20 5 EDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185975239 290181054 /nfs/dbraw/zinc/18/10/54/290181054.db2.gz VDKSZPNNVYDETC-IUODEOHRSA-N 1 0 339.417 1.700 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000419152088 304572062 /nfs/dbraw/zinc/57/20/62/304572062.db2.gz NZPONYSETBNLGY-QWHCGFSZSA-N 1 0 348.403 1.230 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(C)c2cc[nH+]cc21 ZINC000176977106 301013518 /nfs/dbraw/zinc/01/35/18/301013518.db2.gz ZEJIMYLIQFGVDB-UHFFFAOYSA-N 1 0 348.384 1.943 20 5 EDBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@H]1C[NH2+]CCCO1 ZINC000420278808 304742901 /nfs/dbraw/zinc/74/29/01/304742901.db2.gz RXWZOXSQJYKCIT-LLVKDONJSA-N 1 0 341.339 1.701 20 5 EDBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C[NH3+])C1CC1 ZINC000420306767 304747051 /nfs/dbraw/zinc/74/70/51/304747051.db2.gz BEGDRLHEOPVIGR-ZDUSSCGKSA-N 1 0 326.784 1.856 20 5 EDBDRO COc1cc(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)ccc1[N+](=O)[O-] ZINC000420450238 304760175 /nfs/dbraw/zinc/76/01/75/304760175.db2.gz OWKPDHJCSBHEOE-GFCCVEGCSA-N 1 0 331.394 1.255 20 5 EDBDRO [NH3+][C@H]1CCC[C@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000420473797 304763058 /nfs/dbraw/zinc/76/30/58/304763058.db2.gz VAKODBBPTDLNBY-STQMWFEESA-N 1 0 327.406 1.532 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420483813 304764094 /nfs/dbraw/zinc/76/40/94/304764094.db2.gz WWSSLVKVTXRWDC-DGCLKSJQSA-N 1 0 341.433 1.763 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])ccc3N)[C@H]2C1 ZINC000293818295 303023700 /nfs/dbraw/zinc/02/37/00/303023700.db2.gz FWEWPKADVHOEFN-LSDHHAIUSA-N 1 0 334.376 1.112 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000293910001 303037081 /nfs/dbraw/zinc/03/70/81/303037081.db2.gz NSHAGWFHRIZOQN-UAEOLWBESA-N 1 0 345.399 1.930 20 5 EDBDRO C[NH+](C)CCn1nccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000294176229 303073440 /nfs/dbraw/zinc/07/34/40/303073440.db2.gz SUVAYNZIWSSFDY-UHFFFAOYSA-N 1 0 333.348 1.370 20 5 EDBDRO Cc1cc(Cl)c(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000295373144 303210731 /nfs/dbraw/zinc/21/07/31/303210731.db2.gz WVRHHGLWDUYDLU-NSHDSACASA-N 1 0 340.811 1.532 20 5 EDBDRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000262394750 303386842 /nfs/dbraw/zinc/38/68/42/303386842.db2.gz BTBUMTNHDHWOTE-JTQLQIEISA-N 1 0 331.369 1.483 20 5 EDBDRO NC(=O)C1([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000298031409 303489935 /nfs/dbraw/zinc/48/99/35/303489935.db2.gz BTODXFHWNGQTQB-UHFFFAOYSA-N 1 0 334.376 1.701 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000298139299 303500684 /nfs/dbraw/zinc/50/06/84/303500684.db2.gz ODCBHLJOUROOLV-LBPRGKRZSA-N 1 0 336.392 1.607 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000298656678 303542658 /nfs/dbraw/zinc/54/26/58/303542658.db2.gz QSLIMLWDPQDQNK-UHFFFAOYSA-N 1 0 348.403 1.831 20 5 EDBDRO O=C1[C@H]([NH2+][C@@H](CO)[C@@H]2CCCOC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000411999283 303948486 /nfs/dbraw/zinc/94/84/86/303948486.db2.gz XGWSZLCXILDLKN-WQVCFCJDSA-N 1 0 349.387 1.077 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@@H]2C[NH2+]CCC2(F)F)n1 ZINC000423466528 304896959 /nfs/dbraw/zinc/89/69/59/304896959.db2.gz ASDXCADJWAPBLH-IJLUTSLNSA-N 1 0 329.351 1.862 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000423938199 304919821 /nfs/dbraw/zinc/91/98/21/304919821.db2.gz IQVCRQZVZHFTIY-NHYWBVRUSA-N 1 0 348.403 1.347 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)n1 ZINC000427508660 304992904 /nfs/dbraw/zinc/99/29/04/304992904.db2.gz DKCUSXPOVNGZDR-AWEZNQCLSA-N 1 0 345.403 1.714 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000427933213 305001498 /nfs/dbraw/zinc/00/14/98/305001498.db2.gz IGAGGSQBVWFADX-RYUDHWBXSA-N 1 0 325.390 1.276 20 5 EDBDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000428784105 305017388 /nfs/dbraw/zinc/01/73/88/305017388.db2.gz SJYIMSRIQGWIDI-KRWDZBQOSA-N 1 0 344.371 1.645 20 5 EDBDRO C[C@](C[NH3+])(NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000430569681 305056375 /nfs/dbraw/zinc/05/63/75/305056375.db2.gz AKOCGLKDEAZJOY-CQSZACIVSA-N 1 0 326.784 1.904 20 5 EDBDRO CCN1CC[NH+](C[C@@H](C)CNc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000439105100 305193999 /nfs/dbraw/zinc/19/39/99/305193999.db2.gz GXVFYEUPVQVLTQ-ZDUSSCGKSA-N 1 0 349.435 1.379 20 5 EDBDRO C[N@@H+]1CCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000442899579 305230803 /nfs/dbraw/zinc/23/08/03/305230803.db2.gz LGMYKSFYPGIBPN-UHFFFAOYSA-N 1 0 334.420 1.280 20 5 EDBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H](C)[NH3+] ZINC000449601739 305315193 /nfs/dbraw/zinc/31/51/93/305315193.db2.gz NTPZPVDYWMJCTE-JGVFFNPUSA-N 1 0 330.182 1.752 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@H](O)CN3CCOCC3)C2)cc1 ZINC000451550432 305352851 /nfs/dbraw/zinc/35/28/51/305352851.db2.gz RRBXEIPZEMGDOU-SJLPKXTDSA-N 1 0 349.431 1.467 20 5 EDBDRO CC(C)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CO)C(C)C ZINC000451620042 305356513 /nfs/dbraw/zinc/35/65/13/305356513.db2.gz ZDUBAHVTMDXCRE-SOUVJXGZSA-N 1 0 328.413 1.031 20 5 EDBDRO Cc1c(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)cccc1[N+](=O)[O-] ZINC000451919008 305372448 /nfs/dbraw/zinc/37/24/48/305372448.db2.gz RFPKMSTYHOOZNR-INIZCTEOSA-N 1 0 346.431 1.690 20 5 EDBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000452352625 305391870 /nfs/dbraw/zinc/39/18/70/305391870.db2.gz SGDDLVHZCXGXCH-CYBMUJFWSA-N 1 0 346.387 1.653 20 5 EDBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000452353928 305392019 /nfs/dbraw/zinc/39/20/19/305392019.db2.gz VBOKVINKNPUADB-ZDUSSCGKSA-N 1 0 346.387 1.653 20 5 EDBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000452367679 305393536 /nfs/dbraw/zinc/39/35/36/305393536.db2.gz PYMMCHIYJZUWET-GFCCVEGCSA-N 1 0 346.387 1.653 20 5 EDBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000452392240 305397288 /nfs/dbraw/zinc/39/72/88/305397288.db2.gz QYVOZBVLBDCFPX-ZDUSSCGKSA-N 1 0 346.387 1.653 20 5 EDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000517244592 305750560 /nfs/dbraw/zinc/75/05/60/305750560.db2.gz IBLTXUCMCQDNQO-CYBMUJFWSA-N 1 0 327.356 1.557 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)C2CCCCC2)c1 ZINC000518534346 305762320 /nfs/dbraw/zinc/76/23/20/305762320.db2.gz FSJPYHLUOMPEEA-NVXWUHKLSA-N 1 0 338.404 1.865 20 5 EDBDRO CCN(CCC[NH+](C)C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000526045833 305832992 /nfs/dbraw/zinc/83/29/92/305832992.db2.gz CLFXGERRNICKAH-UHFFFAOYSA-N 1 0 338.408 1.957 20 5 EDBDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000532672997 305988712 /nfs/dbraw/zinc/98/87/12/305988712.db2.gz FHEHATQTOJEMKS-JKSUJKDBSA-N 1 0 348.403 1.488 20 5 EDBDRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000548411956 306127370 /nfs/dbraw/zinc/12/73/70/306127370.db2.gz MUEJYMUNVXKQKK-UHFFFAOYSA-N 1 0 347.350 1.851 20 5 EDBDRO CN1CCN(C(=O)CC[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000554817239 306198363 /nfs/dbraw/zinc/19/83/63/306198363.db2.gz ASVURGLEZFNLDM-UHFFFAOYSA-N 1 0 332.404 1.117 20 5 EDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000449707781 447388089 /nfs/dbraw/zinc/38/80/89/447388089.db2.gz SKISRIKTNKDMLY-AWEZNQCLSA-N 1 0 344.375 1.293 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000449721475 447391226 /nfs/dbraw/zinc/39/12/26/447391226.db2.gz JXNWWJVDTICYGV-ZYHUDNBSSA-N 1 0 335.360 1.152 20 5 EDBDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415421888 447420863 /nfs/dbraw/zinc/42/08/63/447420863.db2.gz YRORVRMQFJZGOF-MRVPVSSYSA-N 1 0 328.756 1.158 20 5 EDBDRO COc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000415423267 447422292 /nfs/dbraw/zinc/42/22/92/447422292.db2.gz FUKMZTGNBOGYBA-NSHDSACASA-N 1 0 338.364 1.032 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000415427315 447427173 /nfs/dbraw/zinc/42/71/73/447427173.db2.gz NBDYMBOTQYSTGE-SNVBAGLBSA-N 1 0 338.364 1.032 20 5 EDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000043901768 440809620 /nfs/dbraw/zinc/80/96/20/440809620.db2.gz OCPLWRKWCQCLOL-HUUCEWRRSA-N 1 0 347.419 1.933 20 5 EDBDRO C[NH+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000046478867 441110805 /nfs/dbraw/zinc/11/08/05/441110805.db2.gz PBGHKMRANLKNSQ-UHFFFAOYSA-N 1 0 343.387 1.353 20 5 EDBDRO CC(C)C[NH+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000070880847 441124982 /nfs/dbraw/zinc/12/49/82/441124982.db2.gz MYDDRMZTTAPWAC-UHFFFAOYSA-N 1 0 349.387 1.780 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000070871468 441125020 /nfs/dbraw/zinc/12/50/20/441125020.db2.gz BDJYKBCLSKRVKV-NSHDSACASA-N 1 0 335.360 1.580 20 5 EDBDRO Cc1ccc(NCCCC[NH+]2CCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000080640024 441186316 /nfs/dbraw/zinc/18/63/16/441186316.db2.gz ITWRASZEURHOLE-UHFFFAOYSA-N 1 0 336.436 1.705 20 5 EDBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000104070305 441188462 /nfs/dbraw/zinc/18/84/62/441188462.db2.gz BPSDZTWJENABAR-CYBMUJFWSA-N 1 0 338.433 1.570 20 5 EDBDRO COc1ccc(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000104748318 441203690 /nfs/dbraw/zinc/20/36/90/441203690.db2.gz IBRZTMNVGHTTIF-LLVKDONJSA-N 1 0 343.405 1.176 20 5 EDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000047632815 441212767 /nfs/dbraw/zinc/21/27/67/441212767.db2.gz DQCLERVYIMKJHU-MRXNPFEDSA-N 1 0 333.388 1.922 20 5 EDBDRO CC[NH+](CC)CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000022704310 441283676 /nfs/dbraw/zinc/28/36/76/441283676.db2.gz KBIHASJMNMGJBS-UHFFFAOYSA-N 1 0 336.392 1.173 20 5 EDBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000063518992 441335299 /nfs/dbraw/zinc/33/52/99/441335299.db2.gz GGZBOCXWTKIDKO-CYBMUJFWSA-N 1 0 341.433 1.994 20 5 EDBDRO CC[C@H](O)C[NH+]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000106394912 441337237 /nfs/dbraw/zinc/33/72/37/441337237.db2.gz CZCGZPSQMRLQLU-KIUWMYQTSA-N 1 0 333.388 1.523 20 5 EDBDRO Cc1nn(C)c(NC2CC[NH+](C3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000050954373 441393708 /nfs/dbraw/zinc/39/37/08/441393708.db2.gz NSBDUKMGIJEJHD-UHFFFAOYSA-N 1 0 336.440 1.607 20 5 EDBDRO O=C1CCCN1CCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000064141790 441365889 /nfs/dbraw/zinc/36/58/89/441365889.db2.gz LPRJXMUGOYACBT-UHFFFAOYSA-N 1 0 332.404 1.729 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1cnn(C)c1 ZINC000026256845 441372092 /nfs/dbraw/zinc/37/20/92/441372092.db2.gz LQKMAZTYDDWFPW-UHFFFAOYSA-N 1 0 347.375 1.798 20 5 EDBDRO Cc1c(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000051530934 441413979 /nfs/dbraw/zinc/41/39/79/441413979.db2.gz GAGMQBQDECPNNP-INIZCTEOSA-N 1 0 347.415 1.974 20 5 EDBDRO CC[NH+](CC)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000084935733 441425972 /nfs/dbraw/zinc/42/59/72/441425972.db2.gz YWMKNWYGRDZQAQ-UHFFFAOYSA-N 1 0 329.422 1.913 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000108406787 441452441 /nfs/dbraw/zinc/45/24/41/441452441.db2.gz DBQXUAHZZGVZJP-GFCCVEGCSA-N 1 0 327.406 1.523 20 5 EDBDRO Cc1cc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000074747713 441463162 /nfs/dbraw/zinc/46/31/62/441463162.db2.gz AOYNFYDFONFELZ-UHFFFAOYSA-N 1 0 333.392 1.043 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000053667188 441534911 /nfs/dbraw/zinc/53/49/11/441534911.db2.gz GIBWLFBMTWPSOB-NWDGAFQWSA-N 1 0 343.380 1.639 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H]1C[C@H]2CC[C@@H]1C2 ZINC000090015519 441614859 /nfs/dbraw/zinc/61/48/59/441614859.db2.gz JUFFTDQUDFEMTK-XQQFMLRXSA-N 1 0 339.417 1.651 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000090552279 441633939 /nfs/dbraw/zinc/63/39/39/441633939.db2.gz YGWKOMWCPVBHNB-HIFRSBDPSA-N 1 0 347.371 1.938 20 5 EDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000090796405 441643048 /nfs/dbraw/zinc/64/30/48/441643048.db2.gz KSZKVBFPEKPKTH-OLZOCXBDSA-N 1 0 341.433 1.835 20 5 EDBDRO C[NH+](C)CCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000090998168 441647694 /nfs/dbraw/zinc/64/76/94/441647694.db2.gz XHAQXNSPZLURAH-UHFFFAOYSA-N 1 0 337.767 1.768 20 5 EDBDRO C[NH+](C)C[C@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000114479452 441662809 /nfs/dbraw/zinc/66/28/09/441662809.db2.gz KYDRCGXZLIZHML-CZUORRHYSA-N 1 0 332.404 1.584 20 5 EDBDRO COc1ccc(CC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000067914647 441695898 /nfs/dbraw/zinc/69/58/98/441695898.db2.gz CBHNVWIISGBYOA-AWEZNQCLSA-N 1 0 335.404 1.992 20 5 EDBDRO C[C@@H]([NH2+]CCCN1C(=O)NC(C)(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000173417909 441743517 /nfs/dbraw/zinc/74/35/17/441743517.db2.gz IENQFEGWJYEFJZ-LLVKDONJSA-N 1 0 334.376 1.966 20 5 EDBDRO O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000137256611 441760119 /nfs/dbraw/zinc/76/01/19/441760119.db2.gz XUKWLUXIEOXBDR-JSGCOSHPSA-N 1 0 345.403 1.392 20 5 EDBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000159390337 441809908 /nfs/dbraw/zinc/80/99/08/441809908.db2.gz YNSRIUZVLBIETC-INIZCTEOSA-N 1 0 332.404 1.509 20 5 EDBDRO C[C@H]1C[C@@H](N(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000173749620 441833916 /nfs/dbraw/zinc/83/39/16/441833916.db2.gz KYTOSTMIECYVIU-KBPBESRZSA-N 1 0 334.420 1.972 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000141752106 441855174 /nfs/dbraw/zinc/85/51/74/441855174.db2.gz OZFLSFSDDVNXBD-LBPRGKRZSA-N 1 0 334.332 1.813 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1C ZINC000119072620 441914900 /nfs/dbraw/zinc/91/49/00/441914900.db2.gz AVYFIFVCBISRKQ-RYUDHWBXSA-N 1 0 327.406 1.583 20 5 EDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000069137758 441898051 /nfs/dbraw/zinc/89/80/51/441898051.db2.gz MROVCXZDHCSKQK-GFCCVEGCSA-N 1 0 349.387 1.843 20 5 EDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1N1CCOCC1 ZINC000174812245 441970816 /nfs/dbraw/zinc/97/08/16/441970816.db2.gz WQONWYOQFJBQEB-UHFFFAOYSA-N 1 0 345.403 1.760 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000161034960 441949135 /nfs/dbraw/zinc/94/91/35/441949135.db2.gz YZSOGGRKHAQDNB-ZJUUUORDSA-N 1 0 330.344 1.436 20 5 EDBDRO COc1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000150812365 441955360 /nfs/dbraw/zinc/95/53/60/441955360.db2.gz RLQQNOLXOOUMSB-NSHDSACASA-N 1 0 343.405 1.224 20 5 EDBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)OCO2 ZINC000174705622 441955400 /nfs/dbraw/zinc/95/54/00/441955400.db2.gz LOEDEYQHWHMOPZ-MFKMUULPSA-N 1 0 334.332 1.232 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1C[NH2+]C ZINC000124861910 441960598 /nfs/dbraw/zinc/96/05/98/441960598.db2.gz RRUQZAKOHLAIFI-CYBMUJFWSA-N 1 0 327.406 1.530 20 5 EDBDRO Cn1cc(C[NH2+][C@@H]2CCC(=O)N(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000119963036 441983075 /nfs/dbraw/zinc/98/30/75/441983075.db2.gz JYOZCKOOSVRBFP-CQSZACIVSA-N 1 0 343.387 1.706 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175244675 442025851 /nfs/dbraw/zinc/02/58/51/442025851.db2.gz DLEGOMFOHPCAIF-CYBMUJFWSA-N 1 0 348.403 1.819 20 5 EDBDRO NC(=O)C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000175269782 442030684 /nfs/dbraw/zinc/03/06/84/442030684.db2.gz WTSJKCRABIAMRP-GFCCVEGCSA-N 1 0 334.376 1.511 20 5 EDBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000161969711 442050154 /nfs/dbraw/zinc/05/01/54/442050154.db2.gz PINIQIGBGKOBKG-LLVKDONJSA-N 1 0 329.422 1.897 20 5 EDBDRO CCC[N@H+](CC)CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000175361356 442050581 /nfs/dbraw/zinc/05/05/81/442050581.db2.gz UNXYKWJTJRGDNT-UHFFFAOYSA-N 1 0 329.422 1.746 20 5 EDBDRO COc1ccc(CSCC(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000120619985 442106219 /nfs/dbraw/zinc/10/62/19/442106219.db2.gz UWTCHFFWMHLRFQ-UHFFFAOYSA-N 1 0 327.406 1.514 20 5 EDBDRO Cc1c(CC(=O)Nc2ccn(CC[NH+](C)C)n2)cccc1[N+](=O)[O-] ZINC000163981316 442187014 /nfs/dbraw/zinc/18/70/14/442187014.db2.gz TZUVEGBVQJNTOB-UHFFFAOYSA-N 1 0 331.376 1.843 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000152509200 442220858 /nfs/dbraw/zinc/22/08/58/442220858.db2.gz IMJJVKSIYIJHAL-UHFFFAOYSA-N 1 0 329.784 1.946 20 5 EDBDRO CC(C)(O)C[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000153039708 442258109 /nfs/dbraw/zinc/25/81/09/442258109.db2.gz OXKJOEOXSFSDMK-UHFFFAOYSA-N 1 0 339.367 1.192 20 5 EDBDRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000177248234 442319306 /nfs/dbraw/zinc/31/93/06/442319306.db2.gz MNWTXNYWFSTYRM-DGCLKSJQSA-N 1 0 331.376 1.998 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[N@@H+]1C1CC1 ZINC000177163850 442308201 /nfs/dbraw/zinc/30/82/01/442308201.db2.gz BHVBONPNKVUQSV-VHSXEESVSA-N 1 0 329.360 1.826 20 5 EDBDRO O=C1[C@H](N2CC[N@@H+]3CCC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000171759443 442378171 /nfs/dbraw/zinc/37/81/71/442378171.db2.gz WIVHVFHFPCOHCC-HZPDHXFCSA-N 1 0 330.388 1.480 20 5 EDBDRO COc1cc(C[NH2+]CC2(OC)CCOCC2)c([N+](=O)[O-])cc1O ZINC000610959331 450392696 /nfs/dbraw/zinc/39/26/96/450392696.db2.gz BWWZUYJYJVENIM-UHFFFAOYSA-N 1 0 326.349 1.594 20 5 EDBDRO C[C@H]([NH3+])C1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000178841915 442500338 /nfs/dbraw/zinc/50/03/38/442500338.db2.gz SFFAFJHCYAPQCH-JTQLQIEISA-N 1 0 325.340 1.699 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000192029236 442573914 /nfs/dbraw/zinc/57/39/14/442573914.db2.gz ADETXQGXPYTZOE-LBPRGKRZSA-N 1 0 343.405 1.399 20 5 EDBDRO COc1ccc(CSCC(=O)N(C)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000179049168 442559487 /nfs/dbraw/zinc/55/94/87/442559487.db2.gz NSMIQKTWUYAEGO-GFCCVEGCSA-N 1 0 339.417 1.657 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000192851241 442692489 /nfs/dbraw/zinc/69/24/89/442692489.db2.gz LEZDFXNFOAOZNB-AWEZNQCLSA-N 1 0 327.406 1.499 20 5 EDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1 ZINC000193335446 442734442 /nfs/dbraw/zinc/73/44/42/442734442.db2.gz BTPUSTZTQGESEF-SECBINFHSA-N 1 0 347.368 1.115 20 5 EDBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000193580326 442755794 /nfs/dbraw/zinc/75/57/94/442755794.db2.gz ZJVZLYMKXINRCZ-LBPRGKRZSA-N 1 0 340.449 1.660 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](CO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000193107887 442713825 /nfs/dbraw/zinc/71/38/25/442713825.db2.gz CSDINMWYCPZPPX-CQSZACIVSA-N 1 0 339.392 1.929 20 5 EDBDRO COc1cc(OCC(=O)N2CC[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000188833189 442823855 /nfs/dbraw/zinc/82/38/55/442823855.db2.gz ATQUPZMIOKVMAZ-UHFFFAOYSA-N 1 0 335.360 1.289 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000247115524 442836042 /nfs/dbraw/zinc/83/60/42/442836042.db2.gz RKYOPJZVSQFOHN-NWDGAFQWSA-N 1 0 337.376 1.899 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000268167509 442880108 /nfs/dbraw/zinc/88/01/08/442880108.db2.gz DQYDQZADHVOIQB-GXTWGEPZSA-N 1 0 332.404 1.630 20 5 EDBDRO CC(C)(C(=O)NCCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000265700197 442885630 /nfs/dbraw/zinc/88/56/30/442885630.db2.gz DJDCXJYLRSAIRM-UHFFFAOYSA-N 1 0 335.404 1.711 20 5 EDBDRO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+](C)C ZINC000268307747 442941031 /nfs/dbraw/zinc/94/10/31/442941031.db2.gz YLBCOQAZLKFQTD-JOYOIKCWSA-N 1 0 347.824 1.819 20 5 EDBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000189525276 442972683 /nfs/dbraw/zinc/97/26/83/442972683.db2.gz AGBPDLYDZJBVQA-BXUZGUMPSA-N 1 0 346.387 1.784 20 5 EDBDRO COc1cc(C(=O)NCC[NH+]2CCCCC2)cc([N+](=O)[O-])c1OC ZINC000265929247 442973224 /nfs/dbraw/zinc/97/32/24/442973224.db2.gz FNZUOSCTGVVDAZ-UHFFFAOYSA-N 1 0 337.376 1.828 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C1CC1 ZINC000189934028 443031649 /nfs/dbraw/zinc/03/16/49/443031649.db2.gz HPKRYSOCKVPQEP-UHFFFAOYSA-N 1 0 341.433 1.974 20 5 EDBDRO CC(C)S(=O)(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266180031 443047548 /nfs/dbraw/zinc/04/75/48/443047548.db2.gz LPZCUPUCGZQVHY-UHFFFAOYSA-N 1 0 341.433 1.887 20 5 EDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000266326210 443098365 /nfs/dbraw/zinc/09/83/65/443098365.db2.gz GENRSVLJNGGTPE-NSHDSACASA-N 1 0 330.335 1.854 20 5 EDBDRO O=C(NCC[NH+]1CCC(O)CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000296978164 318740752 /nfs/dbraw/zinc/74/07/52/318740752.db2.gz PAMXHIIRYCXHJV-UHFFFAOYSA-N 1 0 348.403 1.356 20 5 EDBDRO CCC[C@@H](C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[NH+](C)C ZINC000297100860 318750574 /nfs/dbraw/zinc/75/05/74/318750574.db2.gz ZDQHITLHHBUDOY-AWEZNQCLSA-N 1 0 335.408 1.369 20 5 EDBDRO C[NH+](C)C1CCN(CCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000255718055 443108536 /nfs/dbraw/zinc/10/85/36/443108536.db2.gz KJXQSYKIUIPSAZ-SREVYHEPSA-N 1 0 346.431 1.750 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)c1C ZINC000268841043 443124580 /nfs/dbraw/zinc/12/45/80/443124580.db2.gz YCRGFFBBJIIMFI-CYBMUJFWSA-N 1 0 341.433 1.926 20 5 EDBDRO Cc1sc(C(=O)N2CCNC[C@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000261741722 443167493 /nfs/dbraw/zinc/16/74/93/443167493.db2.gz NZPZIADKAPLOEN-NSHDSACASA-N 1 0 335.389 1.485 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1C ZINC000261798563 443170155 /nfs/dbraw/zinc/17/01/55/443170155.db2.gz UQYCKEYXDFAATC-STQMWFEESA-N 1 0 341.433 1.878 20 5 EDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237628243 443177792 /nfs/dbraw/zinc/17/77/92/443177792.db2.gz UKRMLIHMXNPBMI-WCQYABFASA-N 1 0 329.360 1.732 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H](C[NH3+])C1 ZINC000237662951 443178242 /nfs/dbraw/zinc/17/82/42/443178242.db2.gz QMDWWFGSLAZQCF-GFCCVEGCSA-N 1 0 327.406 1.571 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000266538143 443160962 /nfs/dbraw/zinc/16/09/62/443160962.db2.gz OXVJACBGBGBUQT-RDJZCZTQSA-N 1 0 330.388 1.717 20 5 EDBDRO C[C@@H](NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000269166528 443219683 /nfs/dbraw/zinc/21/96/83/443219683.db2.gz DCIRSJHPEZLTRQ-MBNYWOFBSA-N 1 0 348.403 1.217 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)ccc1[N+](=O)[O-] ZINC000262737198 443209152 /nfs/dbraw/zinc/20/91/52/443209152.db2.gz HCQFPKVAUNIXHW-CQSZACIVSA-N 1 0 329.422 1.945 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000269243425 443247922 /nfs/dbraw/zinc/24/79/22/443247922.db2.gz DFMNEBRRSCXEQM-QWRGUYRKSA-N 1 0 335.360 1.565 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000269245863 443248562 /nfs/dbraw/zinc/24/85/62/443248562.db2.gz DSHGNACMMHUCQQ-YPMHNXCESA-N 1 0 329.360 1.590 20 5 EDBDRO CC[NH+]1CCC(NC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC000411244882 319173678 /nfs/dbraw/zinc/17/36/78/319173678.db2.gz VNGNQPHCMSKGQD-UHFFFAOYSA-N 1 0 339.367 1.886 20 5 EDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC000411558211 319184785 /nfs/dbraw/zinc/18/47/85/319184785.db2.gz SPQRORHIIVTIQY-NSHDSACASA-N 1 0 339.367 1.743 20 5 EDBDRO O=C(CC[NH2+][C@H](CO)[C@H]1CCCOC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411995535 319220029 /nfs/dbraw/zinc/22/00/29/319220029.db2.gz QCUMOTOADPNXQU-SWLSCSKDSA-N 1 0 337.376 1.301 20 5 EDBDRO COC(=O)[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+](C)C1 ZINC000413511737 319272827 /nfs/dbraw/zinc/27/28/27/319272827.db2.gz ZYRQGJDWLXPWKH-SNVBAGLBSA-N 1 0 333.348 1.012 20 5 EDBDRO CC[C@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000185798912 443258847 /nfs/dbraw/zinc/25/88/47/443258847.db2.gz OTJGKQDJRLPVFE-RDJZCZTQSA-N 1 0 330.388 1.989 20 5 EDBDRO CC(C)(C)c1ccc(NC(=O)C(=O)NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415270478 319359332 /nfs/dbraw/zinc/35/93/32/319359332.db2.gz OPBDOMWICSYBPQ-UHFFFAOYSA-N 1 0 348.403 1.699 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000415824098 319375211 /nfs/dbraw/zinc/37/52/11/319375211.db2.gz TWVSNFMJDDXQQJ-UHFFFAOYSA-N 1 0 334.376 1.361 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC(C)(C)C[NH+](C)C ZINC000416510952 319436571 /nfs/dbraw/zinc/43/65/71/319436571.db2.gz WDHWCLHCUCLFMY-UHFFFAOYSA-N 1 0 329.422 1.830 20 5 EDBDRO COCC[N@@H+]1CCCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269398105 443303418 /nfs/dbraw/zinc/30/34/18/443303418.db2.gz NIUSQBHQQLWXPP-UHFFFAOYSA-N 1 0 339.396 1.236 20 5 EDBDRO CC[C@H](CO)[NH+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269520448 443334800 /nfs/dbraw/zinc/33/48/00/443334800.db2.gz PZHNSUUNKNLBPN-SBJJXXPASA-N 1 0 333.388 1.523 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272497045 443340446 /nfs/dbraw/zinc/34/04/46/443340446.db2.gz WOELTOYSOYIEMT-HIFRSBDPSA-N 1 0 339.417 1.451 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000418794051 319512728 /nfs/dbraw/zinc/51/27/28/319512728.db2.gz QRLRRWCTSJJNLS-DGCLKSJQSA-N 1 0 334.376 1.626 20 5 EDBDRO CC(C)C(=O)NC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269646189 443378110 /nfs/dbraw/zinc/37/81/10/443378110.db2.gz DRHCIPLVPNIBSB-MRXNPFEDSA-N 1 0 335.404 1.865 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000419156473 319564285 /nfs/dbraw/zinc/56/42/85/319564285.db2.gz CATDUFLMGSKHCP-WHOFXGATSA-N 1 0 348.403 1.358 20 5 EDBDRO Cc1c(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000278518335 443351266 /nfs/dbraw/zinc/35/12/66/443351266.db2.gz CFYDKLJEHMXBGY-RYUDHWBXSA-N 1 0 336.392 1.822 20 5 EDBDRO CC(C)[C@](C)(C[NH3+])NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420315255 319609176 /nfs/dbraw/zinc/60/91/76/319609176.db2.gz LKMZVEOKQWJPEX-AWEZNQCLSA-N 1 0 329.422 1.332 20 5 EDBDRO COC(=O)[C@@H]1CC12CC[NH+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000269686169 443395766 /nfs/dbraw/zinc/39/57/66/443395766.db2.gz ZVCDRSYFXGWPSR-GJZGRUSLSA-N 1 0 334.372 1.903 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000267529443 443486300 /nfs/dbraw/zinc/48/63/00/443486300.db2.gz PPURLPIPMPIMPY-AWEZNQCLSA-N 1 0 343.387 1.947 20 5 EDBDRO C[C@@H]1CN2CCC[C@@H]2CN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000272844812 443464721 /nfs/dbraw/zinc/46/47/21/443464721.db2.gz NNQGIGNPCLPXPT-NXEZZACHSA-N 1 0 345.446 1.733 20 5 EDBDRO COc1cc(C(=O)NC[C@]2(C)CCC[NH2+]C2)cc([N+](=O)[O-])c1OC ZINC000272981374 443509649 /nfs/dbraw/zinc/50/96/49/443509649.db2.gz JFRGWKUQUZKJHA-MRXNPFEDSA-N 1 0 337.376 1.732 20 5 EDBDRO O=C(C[NH2+][C@@H]1CCC[C@H]1CCO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000279337714 443558263 /nfs/dbraw/zinc/55/82/63/443558263.db2.gz ULZHMGMMMCMTOI-SWLSCSKDSA-N 1 0 333.388 1.625 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000272257446 443570404 /nfs/dbraw/zinc/57/04/04/443570404.db2.gz MJVRYCQXJDYIEG-YPMHNXCESA-N 1 0 329.360 1.590 20 5 EDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000286029266 443628917 /nfs/dbraw/zinc/62/89/17/443628917.db2.gz KEFIUCCXAMLLIG-LYGAQUJYSA-N 1 0 344.371 1.965 20 5 EDBDRO C[NH+](C)C[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000265407971 443631456 /nfs/dbraw/zinc/63/14/56/443631456.db2.gz ZKEJJDIATMUJCA-OAHLLOKOSA-N 1 0 346.387 1.339 20 5 EDBDRO COc1cc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc([N+](=O)[O-])c1OC ZINC000429171948 319922989 /nfs/dbraw/zinc/92/29/89/319922989.db2.gz PTDVYOMPKMTAAQ-GXFFZTMASA-N 1 0 337.376 1.811 20 5 EDBDRO CC[NH+](CC)CCCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000265361153 443616319 /nfs/dbraw/zinc/61/63/19/443616319.db2.gz XMTSRNGZDPFYQW-UHFFFAOYSA-N 1 0 339.392 1.830 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000440757458 320079589 /nfs/dbraw/zinc/07/95/89/320079589.db2.gz TUEHCKJKUQHLMS-RYUDHWBXSA-N 1 0 327.406 1.569 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000440803509 320080582 /nfs/dbraw/zinc/08/05/82/320080582.db2.gz MFWRQIUBIXOKNY-SECBINFHSA-N 1 0 347.368 1.163 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1CC1 ZINC000448753647 320156975 /nfs/dbraw/zinc/15/69/75/320156975.db2.gz XIDSTJHFCLUZNF-MRXNPFEDSA-N 1 0 343.387 1.851 20 5 EDBDRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]12 ZINC000449518518 320193833 /nfs/dbraw/zinc/19/38/33/320193833.db2.gz APGMRKGOHPZGDC-OKILXGFUSA-N 1 0 341.323 1.559 20 5 EDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000449749941 320205102 /nfs/dbraw/zinc/20/51/02/320205102.db2.gz HJDWJKZLZRKCTE-CYBMUJFWSA-N 1 0 330.344 1.719 20 5 EDBDRO COc1cccc(N2CCN(C)[C@H](c3nccn3C)C2)c1[N+](=O)[O-] ZINC000280139344 443670993 /nfs/dbraw/zinc/67/09/93/443670993.db2.gz BTJCOWFBTLYNFM-ZDUSSCGKSA-N 1 0 331.376 1.830 20 5 EDBDRO COC[C@](C)(O)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453264824 320261408 /nfs/dbraw/zinc/26/14/08/320261408.db2.gz WAYXKFKVTIINKB-GZBFAFLISA-N 1 0 326.397 1.652 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000491564312 320372207 /nfs/dbraw/zinc/37/22/07/320372207.db2.gz WUBBXRVOPUAENI-YXMGTMDOSA-N 1 0 333.388 1.835 20 5 EDBDRO C[C@H](O)C[N@H+](C)C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000492669270 320382345 /nfs/dbraw/zinc/38/23/45/320382345.db2.gz KZLADJKQAUKWFW-NPQIQWPPSA-N 1 0 347.415 1.912 20 5 EDBDRO CCN(CCC[NH+](CC)CC)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000276389074 443695341 /nfs/dbraw/zinc/69/53/41/443695341.db2.gz FIUBOOACQXPQDS-UHFFFAOYSA-N 1 0 325.413 1.831 20 5 EDBDRO C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC[C@H]2CC[NH2+]C2)C1=O ZINC000519760597 320472564 /nfs/dbraw/zinc/47/25/64/320472564.db2.gz BBIHVCUEGZNBAJ-BZNIZROVSA-N 1 0 332.360 1.361 20 5 EDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC[C@H]2n2cc(CO)nn2)cc1 ZINC000276783674 443824853 /nfs/dbraw/zinc/82/48/53/443824853.db2.gz XDSGSICJSPYEMR-JKSUJKDBSA-N 1 0 331.376 1.952 20 5 EDBDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000531888583 320667756 /nfs/dbraw/zinc/66/77/56/320667756.db2.gz ABOXFDHBGFRRLH-OAHLLOKOSA-N 1 0 347.419 1.230 20 5 EDBDRO CC(C)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000299003927 443926261 /nfs/dbraw/zinc/92/62/61/443926261.db2.gz KSBYOXXVDQHTTE-CYBMUJFWSA-N 1 0 340.449 1.658 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000285376666 443961301 /nfs/dbraw/zinc/96/13/01/443961301.db2.gz WFLGKEJYKNXELX-KGLIPLIRSA-N 1 0 335.360 1.149 20 5 EDBDRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000299389463 444034085 /nfs/dbraw/zinc/03/40/85/444034085.db2.gz TZKZWPWMVJSAMP-UHFFFAOYSA-N 1 0 336.392 1.690 20 5 EDBDRO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1NC(=O)OC(C)(C)C ZINC000277866257 444053449 /nfs/dbraw/zinc/05/34/49/444053449.db2.gz ULPYNYFTRIHQPQ-AAEUAGOBSA-N 1 0 339.396 1.636 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000299547903 444076047 /nfs/dbraw/zinc/07/60/47/444076047.db2.gz VNDHHBHGUAKHJV-UHFFFAOYSA-N 1 0 345.403 1.738 20 5 EDBDRO C[C@H]1C[C@@H](CO)CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000289123844 444058132 /nfs/dbraw/zinc/05/81/32/444058132.db2.gz XFYWCVCXJYQFPO-STQMWFEESA-N 1 0 333.388 1.577 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)CCNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000285734448 444090553 /nfs/dbraw/zinc/09/05/53/444090553.db2.gz KQCWLYMRHCYDDR-HZPDHXFCSA-N 1 0 348.403 1.328 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c(C)cc1[N+](=O)[O-] ZINC000565243562 321178649 /nfs/dbraw/zinc/17/86/49/321178649.db2.gz BFEMJMZSBVJQMX-NEPJUHHUSA-N 1 0 327.406 1.617 20 5 EDBDRO C[C@H]1C[C@@H]([NH3+])CCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000571772945 321399563 /nfs/dbraw/zinc/39/95/63/321399563.db2.gz OASMGNDQEYKTNB-RYUDHWBXSA-N 1 0 327.406 1.180 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC1CCN(CC[NH+](C)C)CC1 ZINC000301090205 444143851 /nfs/dbraw/zinc/14/38/51/444143851.db2.gz HXPDZANITNUNLS-UHFFFAOYSA-N 1 0 349.435 1.392 20 5 EDBDRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2csc([N+](=O)[O-])c2)NC(=O)NC1=O ZINC000289510789 444162325 /nfs/dbraw/zinc/16/23/25/444162325.db2.gz GSOOXDORBURDPE-HZMBPMFUSA-N 1 0 338.389 1.609 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000574168712 321472616 /nfs/dbraw/zinc/47/26/16/321472616.db2.gz BRUJKSQICVKKLK-RKDXNWHRSA-N 1 0 347.368 1.243 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000299708709 444121826 /nfs/dbraw/zinc/12/18/26/444121826.db2.gz PYRXPUSWYRZCBZ-JSGCOSHPSA-N 1 0 348.403 1.783 20 5 EDBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289811193 444206163 /nfs/dbraw/zinc/20/61/63/444206163.db2.gz VQSMCNKAEMRMHB-JTQLQIEISA-N 1 0 341.799 1.616 20 5 EDBDRO O=C(NC1CC1)c1ccc(N2CC[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC000302755248 444223013 /nfs/dbraw/zinc/22/30/13/444223013.db2.gz IIERYOSXYRMOJM-UHFFFAOYSA-N 1 0 330.388 1.771 20 5 EDBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000295380153 444181142 /nfs/dbraw/zinc/18/11/42/444181142.db2.gz GWJDPJLJMHVEPD-GFCCVEGCSA-N 1 0 341.795 1.825 20 5 EDBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000295391378 444181899 /nfs/dbraw/zinc/18/18/99/444181899.db2.gz HSMYWSWFIVDPCP-AWEZNQCLSA-N 1 0 337.424 1.808 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000289620652 444182080 /nfs/dbraw/zinc/18/20/80/444182080.db2.gz RLCWEHMLNUSCNO-LLVKDONJSA-N 1 0 345.421 1.610 20 5 EDBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301800708 444191138 /nfs/dbraw/zinc/19/11/38/444191138.db2.gz STDJXZGZUIEHFY-JTQLQIEISA-N 1 0 342.346 1.872 20 5 EDBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302022182 444200880 /nfs/dbraw/zinc/20/08/80/444200880.db2.gz FXOXHURUWFMWED-MRXNPFEDSA-N 1 0 348.447 1.693 20 5 EDBDRO Cc1cc(N2CCN(C(=O)CO)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302081894 444203704 /nfs/dbraw/zinc/20/37/04/444203704.db2.gz LRTQBUFKAXLICA-UHFFFAOYSA-N 1 0 330.344 1.092 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2Cc2ccccc2)c1 ZINC000304359622 444248221 /nfs/dbraw/zinc/24/82/21/444248221.db2.gz TUKKJWAKQAFHLP-DOTOQJQBSA-N 1 0 330.388 1.859 20 5 EDBDRO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304437946 444249567 /nfs/dbraw/zinc/24/95/67/444249567.db2.gz URQLXTKEVDLMKY-XNRPHZJLSA-N 1 0 340.424 1.319 20 5 EDBDRO Cc1ccc(NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000296393325 444226022 /nfs/dbraw/zinc/22/60/22/444226022.db2.gz SZVLEDGGTFNCSP-AWEZNQCLSA-N 1 0 336.392 1.872 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000290567902 444296115 /nfs/dbraw/zinc/29/61/15/444296115.db2.gz GHLJQSXVKGMAGT-UHFFFAOYSA-N 1 0 348.403 1.954 20 5 EDBDRO [NH3+]CCCOC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000322857675 444341156 /nfs/dbraw/zinc/34/11/56/444341156.db2.gz TUHYOZZCRMUIOE-UHFFFAOYSA-N 1 0 325.340 1.704 20 5 EDBDRO [NH3+][C@@H](CC(F)F)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000323983733 444348579 /nfs/dbraw/zinc/34/85/79/444348579.db2.gz YWTGCOKGHAUIOS-LBPRGKRZSA-N 1 0 328.319 1.226 20 5 EDBDRO CNC(=O)c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000325524019 444367177 /nfs/dbraw/zinc/36/71/77/444367177.db2.gz DMLRLKNGXSFGSN-CHWSQXEVSA-N 1 0 334.376 1.230 20 5 EDBDRO Cc1cnc(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000578499578 321784257 /nfs/dbraw/zinc/78/42/57/321784257.db2.gz RPWDPBONPPCNCR-AWEZNQCLSA-N 1 0 332.360 1.265 20 5 EDBDRO C[NH+](C)C[C@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCO1 ZINC000331132656 444409939 /nfs/dbraw/zinc/40/99/39/444409939.db2.gz PFYMWOYBGHCXCK-NSHDSACASA-N 1 0 343.330 1.205 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000331623390 444480241 /nfs/dbraw/zinc/48/02/41/444480241.db2.gz RILDYYPPBXXACX-JKSUJKDBSA-N 1 0 348.403 1.328 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000580329562 322038424 /nfs/dbraw/zinc/03/84/24/322038424.db2.gz DLBFFYZGUAZQFV-AWEZNQCLSA-N 1 0 329.360 1.184 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cc(C3CC3)ccc2F)c1 ZINC000581247091 322153924 /nfs/dbraw/zinc/15/39/24/322153924.db2.gz PHVVSRVKCKIOJJ-OAHLLOKOSA-N 1 0 334.351 1.959 20 5 EDBDRO CC1CC[NH+](C[C@@H](O)CNc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000342206840 444564129 /nfs/dbraw/zinc/56/41/29/444564129.db2.gz OTFAPKACPBMCKR-LBPRGKRZSA-N 1 0 336.392 1.198 20 5 EDBDRO COC(=O)CN(C)C(=O)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000342317588 444626484 /nfs/dbraw/zinc/62/64/84/444626484.db2.gz DFACOAWTODBXGX-LBPRGKRZSA-N 1 0 337.376 1.575 20 5 EDBDRO C[C@@H]([NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000342279042 444609783 /nfs/dbraw/zinc/60/97/83/444609783.db2.gz IXYGMBZPJIKUTB-KBUPBQIOSA-N 1 0 337.420 1.716 20 5 EDBDRO Cn1cc([C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C)cn1 ZINC000342329986 444634446 /nfs/dbraw/zinc/63/44/46/444634446.db2.gz WLZQDRFZFHQNJG-HNNXBMFYSA-N 1 0 333.392 1.867 20 5 EDBDRO Cc1sc(S(=O)(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000342518772 444728255 /nfs/dbraw/zinc/72/82/55/444728255.db2.gz WGNGTNYSYFFZRU-LDYMZIIASA-N 1 0 333.435 1.535 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000344019328 444731790 /nfs/dbraw/zinc/73/17/90/444731790.db2.gz FRCGZOKXNKTPIY-DETPVDSQSA-N 1 0 349.387 1.635 20 5 EDBDRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000343950783 444689460 /nfs/dbraw/zinc/68/94/60/444689460.db2.gz HZCNEZKGKXTFMA-UKRRQHHQSA-N 1 0 344.371 1.807 20 5 EDBDRO CCCN(CCN1CC[NH+](CC)CC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000342567258 444747623 /nfs/dbraw/zinc/74/76/23/444747623.db2.gz MVHPLTJXOCICQH-UHFFFAOYSA-N 1 0 337.424 1.413 20 5 EDBDRO CC1(C)NC(=O)CC[C@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000338595642 444764635 /nfs/dbraw/zinc/76/46/35/444764635.db2.gz ACYKOXPYBUWXLN-UONOGXRCSA-N 1 0 346.387 1.347 20 5 EDBDRO CCC1CC([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000342738594 444842345 /nfs/dbraw/zinc/84/23/45/444842345.db2.gz SEQYOTFSUGUARB-UHFFFAOYSA-N 1 0 327.406 1.651 20 5 EDBDRO C[C@@H]1[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000344298737 444886773 /nfs/dbraw/zinc/88/67/73/444886773.db2.gz RVPABEMFELJRKW-DOMZBBRYSA-N 1 0 335.408 1.789 20 5 EDBDRO C[NH+]1CCN(c2ncccc2CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000344411379 444949787 /nfs/dbraw/zinc/94/97/87/444949787.db2.gz CLNMPEWJCFHWRH-UHFFFAOYSA-N 1 0 328.376 1.749 20 5 EDBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000330765647 445132610 /nfs/dbraw/zinc/13/26/10/445132610.db2.gz QJDBRJVRGXTPIM-UHFFFAOYSA-N 1 0 327.406 1.700 20 5 EDBDRO C[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@@H+](C2CCC2)C1 ZINC000344718767 445135806 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1.937 20 5 EDBDRO Cc1nn(CCC(=O)NCC[N@H+]2CC=C(C)CC2)c(C)c1[N+](=O)[O-] ZINC000348350865 445263980 /nfs/dbraw/zinc/26/39/80/445263980.db2.gz PMOOZBNXWTZUBQ-UHFFFAOYSA-N 1 0 335.408 1.566 20 5 EDBDRO O=[N+]([O-])c1cnc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000354570790 445298653 /nfs/dbraw/zinc/29/86/53/445298653.db2.gz HIVAJXORXJMYQA-INIZCTEOSA-N 1 0 329.360 1.434 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)CC[NH+]2CCCC2)c1 ZINC000351896495 445360706 /nfs/dbraw/zinc/36/07/06/445360706.db2.gz FXMLBIFHNXZQBB-UHFFFAOYSA-N 1 0 341.433 1.928 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000357090404 445421979 /nfs/dbraw/zinc/42/19/79/445421979.db2.gz VJYAWAHSDLJAIO-NEPJUHHUSA-N 1 0 334.376 1.083 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1[NH+](C)C ZINC000359778251 445423439 /nfs/dbraw/zinc/42/34/39/445423439.db2.gz NBDKGZWFMOCNIM-WBMJQRKESA-N 1 0 343.387 1.803 20 5 EDBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC[N@H+]1CC=CCC1 ZINC000355397979 445458072 /nfs/dbraw/zinc/45/80/72/445458072.db2.gz GHLWXZCPLWMIBY-UHFFFAOYSA-N 1 0 328.372 1.997 20 5 EDBDRO COC[C@]1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCC[NH2+]1 ZINC000357287227 445526807 /nfs/dbraw/zinc/52/68/07/445526807.db2.gz LNNPBWYQNIBBSG-OAHLLOKOSA-N 1 0 341.795 1.676 20 5 EDBDRO C[C@H](C(=O)NCC1(O)CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000349192176 445530734 /nfs/dbraw/zinc/53/07/34/445530734.db2.gz ATRDCCZLWIJUSH-NSHDSACASA-N 1 0 339.367 1.410 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1csc([N+](=O)[O-])c1 ZINC000362797009 445553829 /nfs/dbraw/zinc/55/38/29/445553829.db2.gz LRHNHNBYQLCCGI-JHJVBQTASA-N 1 0 339.417 1.980 20 5 EDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000362812078 445560929 /nfs/dbraw/zinc/56/09/29/445560929.db2.gz AEKVNSXQNYOAQX-HZPDHXFCSA-N 1 0 333.388 1.507 20 5 EDBDRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(c3ccncc3[N+](=O)[O-])CC2)C1 ZINC000357614286 445570941 /nfs/dbraw/zinc/57/09/41/445570941.db2.gz PIKSUBXOMHOXLS-HNNXBMFYSA-N 1 0 349.435 1.221 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000362776230 445545137 /nfs/dbraw/zinc/54/51/37/445545137.db2.gz UDHKQOTVVYCPPW-AWEZNQCLSA-N 1 0 333.388 1.942 20 5 EDBDRO C[C@@H]1C[NH+](CCCNc2ncnc3cccc([N+](=O)[O-])c32)C[C@@H](C)O1 ZINC000357322796 445547136 /nfs/dbraw/zinc/54/71/36/445547136.db2.gz IWPRXVOFUXTXPB-CHWSQXEVSA-N 1 0 345.403 2.449 20 5 EDBDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000349782735 445676891 /nfs/dbraw/zinc/67/68/91/445676891.db2.gz ZYQPAEQXZHSIBP-ZDUSSCGKSA-N 1 0 343.449 1.785 20 5 EDBDRO CCn1ccnc1CN1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000363172985 445707223 /nfs/dbraw/zinc/70/72/23/445707223.db2.gz WEAYQURRCJZAMM-UHFFFAOYSA-N 1 0 347.423 1.216 20 5 EDBDRO CC(C)(C(=O)N1CCC2(CC[NH2+]CC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000358885237 445831665 /nfs/dbraw/zinc/83/16/65/445831665.db2.gz IBYYQEKQJKCODP-UHFFFAOYSA-N 1 0 335.408 1.519 20 5 EDBDRO COc1ccc(NC(=O)CN[C@@H](C)c2nncn2C)c([N+](=O)[O-])c1 ZINC000358824946 445795273 /nfs/dbraw/zinc/79/52/73/445795273.db2.gz NYXYFSROQNBADG-VIFPVBQESA-N 1 0 334.336 1.021 20 5 EDBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356459668 445802928 /nfs/dbraw/zinc/80/29/28/445802928.db2.gz CEZINDTZYQXXEB-LBPRGKRZSA-N 1 0 337.424 1.959 20 5 EDBDRO CCCCCNC(=O)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000350703323 445883492 /nfs/dbraw/zinc/88/34/92/445883492.db2.gz UJWIVWMAMOWIAF-UHFFFAOYSA-N 1 0 337.424 1.810 20 5 EDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000353996750 445845135 /nfs/dbraw/zinc/84/51/35/445845135.db2.gz IMBISFBCMPLXFM-CYBMUJFWSA-N 1 0 343.387 1.947 20 5 EDBDRO CC1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc2C1 ZINC000582296473 325814260 /nfs/dbraw/zinc/81/42/60/325814260.db2.gz JUYDFPUSEJOMJD-INIZCTEOSA-N 1 0 330.388 1.547 20 5 EDBDRO COc1cc(N2CCCN(CC[NH+](C)C)CC2)c([N+](=O)[O-])cc1F ZINC000366096504 446010499 /nfs/dbraw/zinc/01/04/99/446010499.db2.gz VQEQTTKWWPSDGF-UHFFFAOYSA-N 1 0 340.399 1.816 20 5 EDBDRO CO[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C[NH3+])C1 ZINC000359219366 446048999 /nfs/dbraw/zinc/04/89/99/446048999.db2.gz PMNKRHMZUVLBOA-OLZOCXBDSA-N 1 0 341.795 1.755 20 5 EDBDRO COc1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])nc1 ZINC000583560373 326095396 /nfs/dbraw/zinc/09/53/96/326095396.db2.gz IGFIPYWMHOGBPV-ZDUSSCGKSA-N 1 0 333.344 1.528 20 5 EDBDRO Cn1cc(C[NH2+][C@H]2CCC(=O)NC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000356880737 446092102 /nfs/dbraw/zinc/09/21/02/446092102.db2.gz RPTFTTMTWHZZFV-ZDUSSCGKSA-N 1 0 329.360 1.364 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)[C@H](C)C1 ZINC000356899278 446106903 /nfs/dbraw/zinc/10/69/03/446106903.db2.gz DSGJKJJXFVUKPM-VXGBXAGGSA-N 1 0 346.387 1.603 20 5 EDBDRO CO[C@@]1(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000359384380 446188593 /nfs/dbraw/zinc/18/85/93/446188593.db2.gz AXYRLWJINZSZFJ-BLLLJJGKSA-N 1 0 337.376 1.707 20 5 EDBDRO CN1CCC[C@]2(CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1=O ZINC000370402804 446263611 /nfs/dbraw/zinc/26/36/11/446263611.db2.gz BTIHAJUFPHEMMT-QGZVFWFLSA-N 1 0 346.387 1.138 20 5 EDBDRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2 ZINC000373616787 446282420 /nfs/dbraw/zinc/28/24/20/446282420.db2.gz XATYDXKVCIRSTC-DZGCQCFKSA-N 1 0 334.332 1.847 20 5 EDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCN(Cc2ccncc2)CC1 ZINC000362344504 446326676 /nfs/dbraw/zinc/32/66/76/446326676.db2.gz ZBDDTRZUPLZUFY-UHFFFAOYSA-N 1 0 344.419 1.783 20 5 EDBDRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3N)C2)CC1 ZINC000365903357 446395336 /nfs/dbraw/zinc/39/53/36/446395336.db2.gz AOPHTKRTAYVFMN-LBPRGKRZSA-N 1 0 347.419 1.075 20 5 EDBDRO CCN(CC)S(=O)(=O)c1ccc(N[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000420249819 446431968 /nfs/dbraw/zinc/43/19/68/446431968.db2.gz SHEUXQUQQZYOLX-JTQLQIEISA-N 1 0 330.410 1.384 20 5 EDBDRO Cc1c(CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000418085369 446435896 /nfs/dbraw/zinc/43/58/96/446435896.db2.gz XVGVMMNLUKHIML-OAHLLOKOSA-N 1 0 347.419 1.092 20 5 EDBDRO [NH3+]C[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC12CCOCC2 ZINC000420265141 446437723 /nfs/dbraw/zinc/43/77/23/446437723.db2.gz DPRGGYUDWGOTOE-LBPRGKRZSA-N 1 0 332.404 1.755 20 5 EDBDRO Cc1cc(NC[C@H]2C[NH2+]CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420292355 446456630 /nfs/dbraw/zinc/45/66/30/446456630.db2.gz YSOGWWGPTNEZGN-CQSZACIVSA-N 1 0 329.360 1.182 20 5 EDBDRO CC[C@H](NC(=O)c1cn(CCCC[NH3+])nn1)c1cccc([N+](=O)[O-])c1 ZINC000423271810 446470510 /nfs/dbraw/zinc/47/05/10/446470510.db2.gz YFEYBCHDOUNAJU-AWEZNQCLSA-N 1 0 346.391 1.806 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423532884 446564483 /nfs/dbraw/zinc/56/44/83/446564483.db2.gz RWQLMAUTXRJVMM-MNOVXSKESA-N 1 0 335.360 1.581 20 5 EDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000418441178 446544647 /nfs/dbraw/zinc/54/46/47/446544647.db2.gz LOLNRFSXCVLHFL-LBPRGKRZSA-N 1 0 338.412 1.511 20 5 EDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418461145 446552455 /nfs/dbraw/zinc/55/24/55/446552455.db2.gz KQYCSSQFBGGVKO-BBRMVZONSA-N 1 0 347.419 1.554 20 5 EDBDRO COC(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000423516410 446557541 /nfs/dbraw/zinc/55/75/41/446557541.db2.gz GXJTZDKLRCFZCZ-LKTVYLICSA-N 1 0 347.371 1.581 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC000418602453 446611815 /nfs/dbraw/zinc/61/18/15/446611815.db2.gz MMSRMWFYZVVLKJ-WCQYABFASA-N 1 0 334.376 1.639 20 5 EDBDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC000433997348 446615521 /nfs/dbraw/zinc/61/55/21/446615521.db2.gz PCGXHCYHXOVZGM-DOMZBBRYSA-N 1 0 349.416 1.982 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000418566181 446596799 /nfs/dbraw/zinc/59/67/99/446596799.db2.gz AEEKZNAOGOYYOF-NEPJUHHUSA-N 1 0 334.376 1.637 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000420428110 446602894 /nfs/dbraw/zinc/60/28/94/446602894.db2.gz XXBNRHYISJUZLB-UONOGXRCSA-N 1 0 339.417 1.151 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000420429756 446604062 /nfs/dbraw/zinc/60/40/62/446604062.db2.gz UKSUPMFVIPKDCN-NEPJUHHUSA-N 1 0 327.406 1.149 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000420470026 446645482 /nfs/dbraw/zinc/64/54/82/446645482.db2.gz PYBHRPNAOXEVEP-VXGBXAGGSA-N 1 0 327.406 1.699 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000420474953 446649133 /nfs/dbraw/zinc/64/91/33/446649133.db2.gz WEPMCCFBMAJPHD-VXGBXAGGSA-N 1 0 327.406 1.699 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420476360 446649365 /nfs/dbraw/zinc/64/93/65/446649365.db2.gz YAKXQVLRCCRCLJ-NEPJUHHUSA-N 1 0 327.406 1.699 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000423723475 446661049 /nfs/dbraw/zinc/66/10/49/446661049.db2.gz GNMWPJSDLGXHMH-SNVBAGLBSA-N 1 0 349.265 1.391 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000375239612 446662992 /nfs/dbraw/zinc/66/29/92/446662992.db2.gz NOOJYIXNMADGEL-YOEHRIQHSA-N 1 0 344.415 1.510 20 5 EDBDRO COc1cccc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1[N+](=O)[O-] ZINC000435868143 446713383 /nfs/dbraw/zinc/71/33/83/446713383.db2.gz CKFXUUHRMJTDLX-UHFFFAOYSA-N 1 0 339.311 2.436 20 5 EDBDRO CC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000411911495 446724306 /nfs/dbraw/zinc/72/43/06/446724306.db2.gz HJHXVUSIWXNOGA-GFCCVEGCSA-N 1 0 334.376 1.361 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454087090 446772361 /nfs/dbraw/zinc/77/23/61/446772361.db2.gz FRVBUOPBRMXBJF-UHFFFAOYSA-N 1 0 348.403 1.832 20 5 EDBDRO C[NH+](C)C1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000420740431 446783958 /nfs/dbraw/zinc/78/39/58/446783958.db2.gz GNOQKUHBZWUYRN-UHFFFAOYSA-N 1 0 345.396 1.885 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423943715 446792331 /nfs/dbraw/zinc/79/23/31/446792331.db2.gz DIMLZAPLZICOEE-UHFFFAOYSA-N 1 0 346.431 1.849 20 5 EDBDRO Nc1c(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cccc1[N+](=O)[O-] ZINC000423945951 446792920 /nfs/dbraw/zinc/79/29/20/446792920.db2.gz HSFZCZAMPUMTDX-UHFFFAOYSA-N 1 0 347.419 1.123 20 5 EDBDRO Cc1c(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)cccc1[N+](=O)[O-] ZINC000424085991 446845338 /nfs/dbraw/zinc/84/53/38/446845338.db2.gz ZTIPFNXGXGPGKI-NSHDSACASA-N 1 0 330.348 1.672 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1F ZINC000412142553 446878051 /nfs/dbraw/zinc/87/80/51/446878051.db2.gz YBQLGVJEDIJWJK-MNOVXSKESA-N 1 0 339.367 1.884 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)C[C@@H]21 ZINC000371533677 446918269 /nfs/dbraw/zinc/91/82/69/446918269.db2.gz IVUKELBLPGBBJY-RNCFNFMXSA-N 1 0 347.400 1.766 20 5 EDBDRO CC(=O)N[C@@H]1CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000420953780 446925535 /nfs/dbraw/zinc/92/55/35/446925535.db2.gz JLOYCSZONWUTPE-GFCCVEGCSA-N 1 0 348.359 1.103 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000377173169 446969911 /nfs/dbraw/zinc/96/99/11/446969911.db2.gz CRKMUVHYJYFABD-ZIAGYGMSSA-N 1 0 334.376 1.888 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1[N+](=O)[O-] ZINC000368639743 446998899 /nfs/dbraw/zinc/99/88/99/446998899.db2.gz XLHMBVGSDLDTQL-QWHCGFSZSA-N 1 0 339.417 1.584 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000425217716 447069338 /nfs/dbraw/zinc/06/93/38/447069338.db2.gz VZLBONDQEPQIRM-SMDDNHRTSA-N 1 0 325.390 1.310 20 5 EDBDRO C[N@@H+]1CCC[C@H](CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000413451200 447189643 /nfs/dbraw/zinc/18/96/43/447189643.db2.gz ZLZCLNPBJNTXLE-LLVKDONJSA-N 1 0 342.421 1.386 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000369057583 447294569 /nfs/dbraw/zinc/29/45/69/447294569.db2.gz VXKDJOJDIQKGMN-VIFPVBQESA-N 1 0 333.797 1.669 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000447245733 447269249 /nfs/dbraw/zinc/26/92/49/447269249.db2.gz NPEQWULIMKIOTQ-VXGBXAGGSA-N 1 0 327.406 1.569 20 5 EDBDRO Cc1nc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000450351277 447463856 /nfs/dbraw/zinc/46/38/56/447463856.db2.gz SDMOWNCMQOUJJU-QGZVFWFLSA-N 1 0 343.387 1.742 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000415510421 447487878 /nfs/dbraw/zinc/48/78/78/447487878.db2.gz YWVGJFMXIOKKLH-VXGBXAGGSA-N 1 0 338.364 1.573 20 5 EDBDRO C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N(C)Cc1ccccc1 ZINC000390633269 447496666 /nfs/dbraw/zinc/49/66/66/447496666.db2.gz AYCHVQDYEHIZAA-YOEHRIQHSA-N 1 0 347.419 1.262 20 5 EDBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@H](CO)C[NH+]1CCCCC1 ZINC000450519710 447514723 /nfs/dbraw/zinc/51/47/23/447514723.db2.gz NDKVXAGINJOQSV-AWEZNQCLSA-N 1 0 330.388 2.402 20 5 EDBDRO C[C@@H]([NH3+])CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000420154656 447642501 /nfs/dbraw/zinc/64/25/01/447642501.db2.gz JBJOHUAUGWWYQP-LLVKDONJSA-N 1 0 342.421 1.529 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420093697 447596722 /nfs/dbraw/zinc/59/67/22/447596722.db2.gz GWOZCWLQJHDEGB-KRWDZBQOSA-N 1 0 348.403 1.059 20 5 EDBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[C@@H]1CCC[NH2+]C1 ZINC000420164993 447649268 /nfs/dbraw/zinc/64/92/68/447649268.db2.gz MTYLPIQFYYCXRH-WDEREUQCSA-N 1 0 327.406 1.798 20 5 EDBDRO CC1(C)CCC[N@@H+]1CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000450948170 447629756 /nfs/dbraw/zinc/62/97/56/447629756.db2.gz DUXALBRBQUNCQV-UHFFFAOYSA-N 1 0 342.421 1.529 20 5 EDBDRO CCOC(=O)c1ccnc(NC[C@]2(COC)CCC[NH2+]2)c1[N+](=O)[O-] ZINC000420243218 447683644 /nfs/dbraw/zinc/68/36/44/447683644.db2.gz CMIBEDVXRBEXHY-HNNXBMFYSA-N 1 0 338.364 1.347 20 5 EDBDRO O=C(NCc1ccccc1[N+](=O)[O-])c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000422969412 447784102 /nfs/dbraw/zinc/78/41/02/447784102.db2.gz UKPCGJJUKUTHOJ-LBPRGKRZSA-N 1 0 329.360 1.715 20 5 EDBDRO CCN1CCCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000570201934 447963063 /nfs/dbraw/zinc/96/30/63/447963063.db2.gz NZIHKWJEJIEEEC-JKSUJKDBSA-N 1 0 337.420 1.799 20 5 EDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000525805637 448030226 /nfs/dbraw/zinc/03/02/26/448030226.db2.gz XVIOZMLEJRLGJL-LBPRGKRZSA-N 1 0 344.375 1.247 20 5 EDBDRO C[N@@H+]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1(C)C ZINC000577010870 448192825 /nfs/dbraw/zinc/19/28/25/448192825.db2.gz UCHLUTPISHJXAL-OAHLLOKOSA-N 1 0 332.404 1.726 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)COCc2ccccc2F)c1 ZINC000571910380 448234889 /nfs/dbraw/zinc/23/48/89/448234889.db2.gz UOLSLKZUMVIIPQ-AWEZNQCLSA-N 1 0 338.339 1.098 20 5 EDBDRO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000582496445 448256265 /nfs/dbraw/zinc/25/62/65/448256265.db2.gz JIHNXZNYFHHBDV-UHFFFAOYSA-N 1 0 347.419 1.980 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(=O)n1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000591241501 448296538 /nfs/dbraw/zinc/29/65/38/448296538.db2.gz MDACLAWMDSSBGW-OAHLLOKOSA-N 1 0 331.372 1.558 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000591360425 448344352 /nfs/dbraw/zinc/34/43/52/448344352.db2.gz UAICSRHSWSODCB-OLZOCXBDSA-N 1 0 348.407 1.091 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000572339119 448348807 /nfs/dbraw/zinc/34/88/07/448348807.db2.gz SMQUKPIZANYMPR-NSHDSACASA-N 1 0 335.360 1.878 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@H]4CC[NH2+][C@@H]4C3)n2)c1 ZINC000591448879 448367194 /nfs/dbraw/zinc/36/71/94/448367194.db2.gz PFXMEBOIFPUSFB-BXUZGUMPSA-N 1 0 329.360 1.829 20 5 EDBDRO CC[NH+]1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000572548657 448407019 /nfs/dbraw/zinc/40/70/19/448407019.db2.gz GEROMSPHQIXYTG-UHFFFAOYSA-N 1 0 327.406 1.605 20 5 EDBDRO Cn1cc([C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC2(C)C)cn1 ZINC000572614180 448423515 /nfs/dbraw/zinc/42/35/15/448423515.db2.gz YWMLNWRBPXVTLT-HNNXBMFYSA-N 1 0 345.403 1.616 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2c(F)cccc2F)c1 ZINC000516640911 448454621 /nfs/dbraw/zinc/45/46/21/448454621.db2.gz GSRMOGSFQJCSBB-NSHDSACASA-N 1 0 326.303 1.263 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CCC(CC[NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000566406775 448462705 /nfs/dbraw/zinc/46/27/05/448462705.db2.gz MDNKGRPNSWEGPD-UHFFFAOYSA-N 1 0 349.387 1.973 20 5 EDBDRO Cc1noc(CCC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000591736441 448477187 /nfs/dbraw/zinc/47/71/87/448477187.db2.gz LQULSCUBHDJEPT-ZDUSSCGKSA-N 1 0 336.348 1.248 20 5 EDBDRO COC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000591756810 448482801 /nfs/dbraw/zinc/48/28/01/448482801.db2.gz KXOGFGWNJVJYGZ-CYBMUJFWSA-N 1 0 340.376 1.120 20 5 EDBDRO Cc1cnc(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)nc1 ZINC000591758071 448483946 /nfs/dbraw/zinc/48/39/46/448483946.db2.gz UWIKQXYWPKYMIB-CQSZACIVSA-N 1 0 332.360 1.265 20 5 EDBDRO O=[N+]([O-])c1cc2c(nc1N1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)CCCC2 ZINC000591908568 448565725 /nfs/dbraw/zinc/56/57/25/448565725.db2.gz XJNROILZIWCGMZ-NVXWUHKLSA-N 1 0 346.431 1.904 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000567147080 448623618 /nfs/dbraw/zinc/62/36/18/448623618.db2.gz MNNGSYIJQNHSNQ-WFASDCNBSA-N 1 0 336.392 1.885 20 5 EDBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000573327029 448600389 /nfs/dbraw/zinc/60/03/89/448600389.db2.gz YXMVCXIDGBJOEJ-LBPRGKRZSA-N 1 0 337.424 1.715 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000573444343 448629127 /nfs/dbraw/zinc/62/91/27/448629127.db2.gz CHPLELHGFUNJKH-UTUOFQBUSA-N 1 0 336.392 1.322 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000592255495 448764501 /nfs/dbraw/zinc/76/45/01/448764501.db2.gz QJJLZYKXQCMBND-CHWSQXEVSA-N 1 0 335.408 1.663 20 5 EDBDRO O=C1C[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CN1C1CC1 ZINC000568047428 448806460 /nfs/dbraw/zinc/80/64/60/448806460.db2.gz MMMQANNHRNNVOM-SNPRPXQTSA-N 1 0 347.419 1.876 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000592375992 448810913 /nfs/dbraw/zinc/81/09/13/448810913.db2.gz WDFUXXFLYXVWIB-MNOVXSKESA-N 1 0 345.446 1.809 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000592375993 448811360 /nfs/dbraw/zinc/81/13/60/448811360.db2.gz WDFUXXFLYXVWIB-QWRGUYRKSA-N 1 0 345.446 1.809 20 5 EDBDRO CCCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592300017 448778877 /nfs/dbraw/zinc/77/88/77/448778877.db2.gz GZVJBPBFDGZIDU-AWEZNQCLSA-N 1 0 334.376 1.476 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000592380969 448813853 /nfs/dbraw/zinc/81/38/53/448813853.db2.gz WZYBCCBDWDHYEZ-CYBMUJFWSA-N 1 0 327.406 1.522 20 5 EDBDRO CS[C@H](CO)[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000574083661 448788010 /nfs/dbraw/zinc/78/80/10/448788010.db2.gz GGQRMNXFAIBWMO-GXFFZTMASA-N 1 0 327.406 1.625 20 5 EDBDRO CC[C@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1[NH3+] ZINC000592332012 448795370 /nfs/dbraw/zinc/79/53/70/448795370.db2.gz QXWIXOIHJAXURY-WFASDCNBSA-N 1 0 343.387 1.980 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000592392576 448820194 /nfs/dbraw/zinc/82/01/94/448820194.db2.gz NTBQYWYPOJZTQM-LLVKDONJSA-N 1 0 343.405 1.414 20 5 EDBDRO CC[NH+](CC)C[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000587519739 448838352 /nfs/dbraw/zinc/83/83/52/448838352.db2.gz ZZKVCOYCDPLVAG-NSHDSACASA-N 1 0 335.408 1.927 20 5 EDBDRO Cc1c(NC(=O)CCN2CCO[C@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000592474869 448853300 /nfs/dbraw/zinc/85/33/00/448853300.db2.gz IHYMUXNSTBVYFG-WFASDCNBSA-N 1 0 336.392 1.280 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592475144 448853245 /nfs/dbraw/zinc/85/32/45/448853245.db2.gz VKROJIQLVWOOGO-SWLSCSKDSA-N 1 0 336.392 1.280 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cccc(OC(F)F)c2)c1 ZINC000568751026 448914846 /nfs/dbraw/zinc/91/48/46/448914846.db2.gz UQQZUJNUYOCMFM-GFCCVEGCSA-N 1 0 342.302 1.543 20 5 EDBDRO CC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592545201 448889796 /nfs/dbraw/zinc/88/97/96/448889796.db2.gz PIZFTZKLMIIVAY-YWPYICTPSA-N 1 0 348.403 1.299 20 5 EDBDRO COCCC[NH+]1CCC(Nc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000589114220 448971544 /nfs/dbraw/zinc/97/15/44/448971544.db2.gz QYWGQNCNDVEAIJ-UHFFFAOYSA-N 1 0 328.800 1.978 20 5 EDBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588860047 448942189 /nfs/dbraw/zinc/94/21/89/448942189.db2.gz BPDZMFIGDIABHJ-QWHCGFSZSA-N 1 0 344.371 1.357 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000569457528 449028944 /nfs/dbraw/zinc/02/89/44/449028944.db2.gz YKYJCHAXHFAWIL-JOCQHMNTSA-N 1 0 341.433 1.947 20 5 EDBDRO COCC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000582191981 449036126 /nfs/dbraw/zinc/03/61/26/449036126.db2.gz SPAJSTOQOFGZEC-UHFFFAOYSA-N 1 0 338.408 1.936 20 5 EDBDRO Cc1sc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000592880146 449034009 /nfs/dbraw/zinc/03/40/09/449034009.db2.gz ODQMIQYYBFUOAP-SECBINFHSA-N 1 0 340.405 1.157 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCc2ccccn2)cc1 ZINC000521501279 448990942 /nfs/dbraw/zinc/99/09/42/448990942.db2.gz FHRRIWPHJMSHBH-UHFFFAOYSA-N 1 0 335.385 1.596 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c1C ZINC000589924430 449080688 /nfs/dbraw/zinc/08/06/88/449080688.db2.gz CAWNWXJBGSVBJO-GXTWGEPZSA-N 1 0 339.417 1.536 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000589929939 449084210 /nfs/dbraw/zinc/08/42/10/449084210.db2.gz OTLBMPPANKECFX-DZGCQCFKSA-N 1 0 339.417 1.103 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCn2ccc3ccccc32)c1 ZINC000582296481 449059760 /nfs/dbraw/zinc/05/97/60/449059760.db2.gz KANQBEOGKHDDDG-INIZCTEOSA-N 1 0 343.387 1.787 20 5 EDBDRO C[N@@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@@H](Cc2ccccc2)C1 ZINC000593090410 449129778 /nfs/dbraw/zinc/12/97/78/449129778.db2.gz WXWGAINETQGRSG-INIZCTEOSA-N 1 0 329.404 1.650 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[NH2+]C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000599906642 449105646 /nfs/dbraw/zinc/10/56/46/449105646.db2.gz FYXPCKYVJDWEDC-AWEZNQCLSA-N 1 0 336.392 1.743 20 5 EDBDRO COC[C@@H]1C[C@@H](O)C[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000593061025 449118442 /nfs/dbraw/zinc/11/84/42/449118442.db2.gz NJAQILLTMHGZFQ-NWDGAFQWSA-N 1 0 326.349 1.064 20 5 EDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000597946944 449155328 /nfs/dbraw/zinc/15/53/28/449155328.db2.gz SVBDOXMFLCHNNB-CQSZACIVSA-N 1 0 343.387 1.947 20 5 EDBDRO Cc1c(NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000593721458 449159202 /nfs/dbraw/zinc/15/92/02/449159202.db2.gz FKJZSFLTGBKQNI-UHFFFAOYSA-N 1 0 348.403 1.786 20 5 EDBDRO CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000599985576 449138364 /nfs/dbraw/zinc/13/83/64/449138364.db2.gz GNYNVOUIAQMVOO-UHFFFAOYSA-N 1 0 334.420 1.974 20 5 EDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]21 ZINC000600001105 449144334 /nfs/dbraw/zinc/14/43/34/449144334.db2.gz YPJJJEGJLUTRKC-PJXYFTJBSA-N 1 0 341.314 1.828 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595753578 449147969 /nfs/dbraw/zinc/14/79/69/449147969.db2.gz ZCPDOGWHWFBFDM-WMLDXEAASA-N 1 0 336.388 1.571 20 5 EDBDRO CCN1C[C@@H](C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000593689137 449148612 /nfs/dbraw/zinc/14/86/12/449148612.db2.gz JJWHHOQKDWUZEF-CHWSQXEVSA-N 1 0 348.403 1.770 20 5 EDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590402273 449148832 /nfs/dbraw/zinc/14/88/32/449148832.db2.gz BZPMUXVWRVEULK-BLLLJJGKSA-N 1 0 343.387 1.945 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000590402815 449149555 /nfs/dbraw/zinc/14/95/55/449149555.db2.gz HHOHWWRFKGVNCE-XHDPSFHLSA-N 1 0 349.387 1.936 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000590588714 449204165 /nfs/dbraw/zinc/20/41/65/449204165.db2.gz JCXCVQRJFFGHQL-WCQYABFASA-N 1 0 327.406 1.616 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c1[N+](=O)[O-] ZINC000590589849 449204475 /nfs/dbraw/zinc/20/44/75/449204475.db2.gz RDHIADBRLFLUMQ-QWHCGFSZSA-N 1 0 341.433 1.925 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c1 ZINC000590602844 449216879 /nfs/dbraw/zinc/21/68/79/449216879.db2.gz YYGHKESAMOYROR-UKRRQHHQSA-N 1 0 331.376 1.427 20 5 EDBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000604198019 449189990 /nfs/dbraw/zinc/18/99/90/449189990.db2.gz DOVNSVNFUQYALY-CYBMUJFWSA-N 1 0 329.360 1.605 20 5 EDBDRO Cn1cc(C[NH+]2C[C@@H](CO)[C@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600189352 449234515 /nfs/dbraw/zinc/23/45/15/449234515.db2.gz FKPCRNKVIVSQHE-GJZGRUSLSA-N 1 0 346.387 1.028 20 5 EDBDRO COc1ccc(-c2ccc(C[N@H+]3C[C@H](O)C[C@H](O)C3)o2)c([N+](=O)[O-])c1 ZINC000611276776 449246966 /nfs/dbraw/zinc/24/69/66/449246966.db2.gz IJTBGYGUFAEJAB-TXEJJXNPSA-N 1 0 348.355 1.791 20 5 EDBDRO O=[N+]([O-])c1ccc2ncnc(NC[C@@H]3CCC[N@H+]3CCCO)c2c1 ZINC000590707674 449255124 /nfs/dbraw/zinc/25/51/24/449255124.db2.gz SMHGWFTYDUFWEC-ZDUSSCGKSA-N 1 0 331.376 1.797 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000595940758 449268508 /nfs/dbraw/zinc/26/85/08/449268508.db2.gz VKQQDFXQBAEWIU-CYBMUJFWSA-N 1 0 331.294 1.796 20 5 EDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000590751362 449271150 /nfs/dbraw/zinc/27/11/50/449271150.db2.gz TVEYSOFZVFCQOC-CFVMTHIKSA-N 1 0 338.360 1.266 20 5 EDBDRO Nc1c(C(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cccc1[N+](=O)[O-] ZINC000593919434 449287191 /nfs/dbraw/zinc/28/71/91/449287191.db2.gz QZBWTFVZLKYVOT-NJZAAPMLSA-N 1 0 348.403 1.678 20 5 EDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000600310984 449314226 /nfs/dbraw/zinc/31/42/26/449314226.db2.gz MMANSHPPPCQSQC-LLVKDONJSA-N 1 0 331.376 1.933 20 5 EDBDRO CN(c1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)[C@H](C[NH3+])C1CC1 ZINC000596014374 449315552 /nfs/dbraw/zinc/31/55/52/449315552.db2.gz OBLINSUJJLDSBH-CQSZACIVSA-N 1 0 338.383 1.744 20 5 EDBDRO [NH3+]CC1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC1 ZINC000596016428 449317071 /nfs/dbraw/zinc/31/70/71/449317071.db2.gz RRUPXNMEQHQPFA-UHFFFAOYSA-N 1 0 338.383 1.746 20 5 EDBDRO COc1cc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000611515048 449317477 /nfs/dbraw/zinc/31/74/77/449317477.db2.gz BOIHVUVIIAXOLX-HNNXBMFYSA-N 1 0 335.404 1.900 20 5 EDBDRO COCC[N@@H+]1CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593421217 449275691 /nfs/dbraw/zinc/27/56/91/449275691.db2.gz MCDYFYZFHRDBLB-UHFFFAOYSA-N 1 0 339.367 1.457 20 5 EDBDRO CC(C)([NH3+])c1cc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)on1 ZINC000595954023 449278024 /nfs/dbraw/zinc/27/80/24/449278024.db2.gz OSZQQBHEIFPBCR-UHFFFAOYSA-N 1 0 331.332 1.370 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(CC[NH3+])CC1 ZINC000593916048 449283787 /nfs/dbraw/zinc/28/37/87/449283787.db2.gz CKOYLACOKFYEOC-LBPRGKRZSA-N 1 0 348.403 1.301 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000594102694 449355826 /nfs/dbraw/zinc/35/58/26/449355826.db2.gz QBVCMAVFWOGXCE-VDISTLRHSA-N 1 0 344.375 1.246 20 5 EDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594026620 449329554 /nfs/dbraw/zinc/32/95/54/449329554.db2.gz FSUACMUCKJHGIF-JKSUJKDBSA-N 1 0 335.404 1.633 20 5 EDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H](O)C[NH+]1CCCCC1 ZINC000593537230 449332002 /nfs/dbraw/zinc/33/20/02/449332002.db2.gz GCJBFXSORLYFTQ-CQSZACIVSA-N 1 0 339.367 1.239 20 5 EDBDRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000596051388 449336952 /nfs/dbraw/zinc/33/69/52/449336952.db2.gz NMQCQCMHBYYIJL-MRVPVSSYSA-N 1 0 345.274 1.244 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000598452035 449402428 /nfs/dbraw/zinc/40/24/28/449402428.db2.gz GEDWLCILNGFGRM-HNNXBMFYSA-N 1 0 349.387 1.031 20 5 EDBDRO CC[C@@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@H](C)[NH2+]1 ZINC000598531304 449448630 /nfs/dbraw/zinc/44/86/30/449448630.db2.gz IPQLQJQBQHSZGH-QWHCGFSZSA-N 1 0 343.387 1.993 20 5 EDBDRO Nc1nccc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598558041 449464715 /nfs/dbraw/zinc/46/47/15/449464715.db2.gz PTRBFQKVODDJGK-GFCCVEGCSA-N 1 0 333.392 1.424 20 5 EDBDRO CC(C)(C(=O)N1CCC[N@H+](CC2CCC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000594357032 449465498 /nfs/dbraw/zinc/46/54/98/449465498.db2.gz WTCBGGUYBDSDEW-UHFFFAOYSA-N 1 0 349.435 1.861 20 5 EDBDRO C[C@H](C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC000594357702 449465552 /nfs/dbraw/zinc/46/55/52/449465552.db2.gz LOLJEUAWQRDNEW-YVEFUNNKSA-N 1 0 333.388 1.271 20 5 EDBDRO C[C@H]1C[C@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000598599430 449484268 /nfs/dbraw/zinc/48/42/68/449484268.db2.gz OBWNYFSRTNKGQQ-NWDGAFQWSA-N 1 0 336.396 1.116 20 5 EDBDRO CC1([NH3+])CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000598665485 449527762 /nfs/dbraw/zinc/52/77/62/449527762.db2.gz ORFVESMDNBUIHA-UHFFFAOYSA-N 1 0 335.364 1.056 20 5 EDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598667290 449528514 /nfs/dbraw/zinc/52/85/14/449528514.db2.gz BYUPLLQUFBPVAN-CHWSQXEVSA-N 1 0 335.364 1.102 20 5 EDBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000598666177 449528711 /nfs/dbraw/zinc/52/87/11/449528711.db2.gz UUUANSKENLPWPS-CQSZACIVSA-N 1 0 347.375 1.069 20 5 EDBDRO O=[N+]([O-])c1ccc([O-])cc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600758183 449537843 /nfs/dbraw/zinc/53/78/43/449537843.db2.gz XCRMZDJVZQMEAE-MRXNPFEDSA-N 1 0 335.404 1.891 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000594474989 449540471 /nfs/dbraw/zinc/54/04/71/449540471.db2.gz QWWDCOGVPWBKMK-BETUJISGSA-N 1 0 341.433 1.830 20 5 EDBDRO C[C@@H]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598633838 449509204 /nfs/dbraw/zinc/50/92/04/449509204.db2.gz CMYFAVKXBLMFAO-GDBMZVCRSA-N 1 0 349.431 1.882 20 5 EDBDRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000596470715 449519206 /nfs/dbraw/zinc/51/92/06/449519206.db2.gz XLLQZYNQVKNEGX-UHFFFAOYSA-N 1 0 343.387 1.960 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c1C ZINC000598726321 449565081 /nfs/dbraw/zinc/56/50/81/449565081.db2.gz RVNAMMDTKQDJLM-IUODEOHRSA-N 1 0 339.417 1.714 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c(C)cc1[N+](=O)[O-] ZINC000598725752 449565110 /nfs/dbraw/zinc/56/51/10/449565110.db2.gz ZNIDIBXYCRDDSS-SWLSCSKDSA-N 1 0 339.417 1.714 20 5 EDBDRO COCC[N@@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000594549532 449572154 /nfs/dbraw/zinc/57/21/54/449572154.db2.gz CHDTZYDMRJDUCC-ZDUSSCGKSA-N 1 0 338.408 2.300 20 5 EDBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)N1CCC[NH2+]CC1 ZINC000602424360 449576330 /nfs/dbraw/zinc/57/63/30/449576330.db2.gz KLSSHYHHRAQFBI-UHFFFAOYSA-N 1 0 333.323 1.355 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000598713899 449559243 /nfs/dbraw/zinc/55/92/43/449559243.db2.gz DUGIWBZSNFATHL-LBPRGKRZSA-N 1 0 327.406 1.632 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1C ZINC000598720621 449561514 /nfs/dbraw/zinc/56/15/14/449561514.db2.gz PZUGQVAQTPHBDC-IUODEOHRSA-N 1 0 339.417 1.714 20 5 EDBDRO C[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000602435832 449584871 /nfs/dbraw/zinc/58/48/71/449584871.db2.gz VJPXYBJOPRDABT-MRVPVSSYSA-N 1 0 328.166 1.791 20 5 EDBDRO C[C@@H](CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+](C)C ZINC000596588352 449563888 /nfs/dbraw/zinc/56/38/88/449563888.db2.gz PTMUFCOPSRKYMV-JTQLQIEISA-N 1 0 334.380 1.611 20 5 EDBDRO Cn1c2cc(N[C@H]3CC[NH2+]C34CCC4)c([N+](=O)[O-])cc2n(C)c1=O ZINC000600951304 449612895 /nfs/dbraw/zinc/61/28/95/449612895.db2.gz QJXUUFYBTOORGX-AWEZNQCLSA-N 1 0 331.376 1.482 20 5 EDBDRO COC(=O)c1cnc(N2CCc3[nH+]ccc(N)c3C2)c([N+](=O)[O-])c1 ZINC000598944143 449663053 /nfs/dbraw/zinc/66/30/53/449663053.db2.gz XQBNOAPODCRYRE-UHFFFAOYSA-N 1 0 329.316 1.316 20 5 EDBDRO C[C@H]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C[NH2+]1 ZINC000602553550 449669722 /nfs/dbraw/zinc/66/97/22/449669722.db2.gz KYDFTRRHCTXATC-STQMWFEESA-N 1 0 348.403 1.302 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000598915972 449645780 /nfs/dbraw/zinc/64/57/80/449645780.db2.gz RSEMEATYLNEYEX-GJZGRUSLSA-N 1 0 346.387 1.666 20 5 EDBDRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915440 449645814 /nfs/dbraw/zinc/64/58/14/449645814.db2.gz LYWRLKDRIJWISH-QPUJVOFHSA-N 1 0 326.328 1.968 20 5 EDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)c21 ZINC000612444754 449709108 /nfs/dbraw/zinc/70/91/08/449709108.db2.gz MRGDUSINTSHHOU-ZFWWWQNUSA-N 1 0 343.387 1.573 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)CC(F)F)CC2)cn1 ZINC000602635441 449720329 /nfs/dbraw/zinc/72/03/29/449720329.db2.gz DSQFLQZGTMRSAC-NSHDSACASA-N 1 0 330.335 1.564 20 5 EDBDRO Cn1ccnc1[C@@H](NCC[N@@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599085011 449722562 /nfs/dbraw/zinc/72/25/62/449722562.db2.gz IZYBRNBNVPJTDE-CVEARBPZSA-N 1 0 345.403 1.074 20 5 EDBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000599100143 449732114 /nfs/dbraw/zinc/73/21/14/449732114.db2.gz FVJXKBMKHBDWHA-CQSZACIVSA-N 1 0 339.417 1.341 20 5 EDBDRO C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[NH2+]1 ZINC000599101801 449733129 /nfs/dbraw/zinc/73/31/29/449733129.db2.gz BXISBFGRHFLUSB-WPRPVWTQSA-N 1 0 333.797 1.667 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC([NH+]4CCOCC4)CC3)nc2c1 ZINC000599102884 449734363 /nfs/dbraw/zinc/73/43/63/449734363.db2.gz GOZWKQXGZJDISX-UHFFFAOYSA-N 1 0 331.376 1.772 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000599102492 449734416 /nfs/dbraw/zinc/73/44/16/449734416.db2.gz OJOUMLIGCWROSC-CQSZACIVSA-N 1 0 339.417 1.775 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000599102852 449734623 /nfs/dbraw/zinc/73/46/23/449734623.db2.gz FUFJLFPNQJNSKS-NXEZZACHSA-N 1 0 329.378 1.022 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c1[N+](=O)[O-] ZINC000599104731 449735712 /nfs/dbraw/zinc/73/57/12/449735712.db2.gz NLFJBOLUCNOEKS-NWDGAFQWSA-N 1 0 327.406 1.630 20 5 EDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCN1CC[NH+](C)CC1 ZINC000601100698 449689564 /nfs/dbraw/zinc/68/95/64/449689564.db2.gz FIVYNGKSSBCALQ-UHFFFAOYSA-N 1 0 336.318 1.006 20 5 EDBDRO O=[N+]([O-])c1cc(F)cnc1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000601103734 449690824 /nfs/dbraw/zinc/69/08/24/449690824.db2.gz GMWIAJSIZQYFTQ-OAHLLOKOSA-N 1 0 346.362 1.960 20 5 EDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000602594378 449694127 /nfs/dbraw/zinc/69/41/27/449694127.db2.gz ATYIZKURYWQPDN-GXTWGEPZSA-N 1 0 332.404 1.759 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000599110894 449742092 /nfs/dbraw/zinc/74/20/92/449742092.db2.gz FZOIDVNKTZRPDB-GASCZTMLSA-N 1 0 339.417 1.523 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000602782497 449805269 /nfs/dbraw/zinc/80/52/69/449805269.db2.gz CHBMXYCJWKXOOY-GFCCVEGCSA-N 1 0 336.314 1.735 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000602817105 449829758 /nfs/dbraw/zinc/82/97/58/449829758.db2.gz SIFSIDPIASWIKX-CABCVRRESA-N 1 0 337.424 1.333 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601334924 449843639 /nfs/dbraw/zinc/84/36/39/449843639.db2.gz OPFJUXFZVDDUPA-XJKSGUPXSA-N 1 0 332.404 1.916 20 5 EDBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC[C@H](O)C2)nc1-c1ccc(F)cc1 ZINC000599198973 449792349 /nfs/dbraw/zinc/79/23/49/449792349.db2.gz DEBYICPINOCZLZ-AWEZNQCLSA-N 1 0 346.362 2.274 20 5 EDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000602891852 449898900 /nfs/dbraw/zinc/89/89/00/449898900.db2.gz JVDCTBCZMPJJFA-NSHDSACASA-N 1 0 335.330 1.750 20 5 EDBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000595102644 449869483 /nfs/dbraw/zinc/86/94/83/449869483.db2.gz QBNHIBSOZQOHQG-ZDUSSCGKSA-N 1 0 341.433 1.974 20 5 EDBDRO CC[N@H+]1C[C@H](NS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])[C@@H](C)C1 ZINC000601359042 449873599 /nfs/dbraw/zinc/87/35/99/449873599.db2.gz PXPPYIXTRXIVIH-WPRPVWTQSA-N 1 0 333.435 1.583 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000595127846 449886817 /nfs/dbraw/zinc/88/68/17/449886817.db2.gz QQWMIHKKZBCBCT-UHFFFAOYSA-N 1 0 345.808 1.587 20 5 EDBDRO CC(C)(C(=O)NC1CC[NH+](CC2CC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000608812267 449941317 /nfs/dbraw/zinc/94/13/17/449941317.db2.gz IMCYFWBLUPWEBB-UHFFFAOYSA-N 1 0 335.408 1.517 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000608909456 449949017 /nfs/dbraw/zinc/94/90/17/449949017.db2.gz QRYFGDXUYSTXKE-UHFFFAOYSA-N 1 0 325.288 1.413 20 5 EDBDRO O=C(NCCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000608956167 449952292 /nfs/dbraw/zinc/95/22/92/449952292.db2.gz GKXDEZKHLLHSNQ-UHFFFAOYSA-N 1 0 349.387 1.972 20 5 EDBDRO Cc1sc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000599416209 449962616 /nfs/dbraw/zinc/96/26/16/449962616.db2.gz UZLMBXSLTNIFAL-NSHDSACASA-N 1 0 347.462 1.975 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595241563 449970472 /nfs/dbraw/zinc/97/04/72/449970472.db2.gz AVHKMULDGFDJMJ-CYBMUJFWSA-N 1 0 336.392 1.585 20 5 EDBDRO C[NH+](C)C1(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000601449156 449972375 /nfs/dbraw/zinc/97/23/75/449972375.db2.gz UORCOBSXSGFYDJ-UHFFFAOYSA-N 1 0 333.797 1.621 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000609257773 449984881 /nfs/dbraw/zinc/98/48/81/449984881.db2.gz DQTRZZDRZJWLCE-JKSUJKDBSA-N 1 0 346.387 1.868 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000595354052 450068835 /nfs/dbraw/zinc/06/88/35/450068835.db2.gz MBSYOYBNLMMJNC-CYBMUJFWSA-N 1 0 341.433 1.974 20 5 EDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000609530852 450042978 /nfs/dbraw/zinc/04/29/78/450042978.db2.gz IVLIIZQZSQRENH-LBPRGKRZSA-N 1 0 349.387 1.970 20 5 EDBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(=O)N(C)C ZINC000609845772 450104672 /nfs/dbraw/zinc/10/46/72/450104672.db2.gz OGYFHKHLBFKAMY-UHFFFAOYSA-N 1 0 336.392 1.642 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+][C@H](C(C)C)C2)c1C ZINC000595413784 450126582 /nfs/dbraw/zinc/12/65/82/450126582.db2.gz VZTOECXHQNPYIU-ZDUSSCGKSA-N 1 0 341.433 1.830 20 5 EDBDRO CCOc1cc(C[NH+]2CCC(c3nc(N)n[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000595489203 450179623 /nfs/dbraw/zinc/17/96/23/450179623.db2.gz KPJIJQGRPMVILI-UHFFFAOYSA-N 1 0 346.391 2.073 20 5 EDBDRO C[C@H](c1ccccc1[N+](=O)[O-])n1cc(CCN2CC[NH2+]CC2)nn1 ZINC000603219567 450152487 /nfs/dbraw/zinc/15/24/87/450152487.db2.gz QEQXWTVEPSWWIX-CYBMUJFWSA-N 1 0 330.392 1.243 20 5 EDBDRO COC(=O)CC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000610211564 450153366 /nfs/dbraw/zinc/15/33/66/450153366.db2.gz FAHOCMXBAVVHEE-UHFFFAOYSA-N 1 0 332.360 1.857 20 5 EDBDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000599693947 450157361 /nfs/dbraw/zinc/15/73/61/450157361.db2.gz PXNRUSNGQWMJSD-CYBMUJFWSA-N 1 0 327.406 1.356 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[NH+](CCCF)CC2)c1 ZINC000599659685 450135354 /nfs/dbraw/zinc/13/53/54/450135354.db2.gz LIUGXBNGYVWMOG-OAHLLOKOSA-N 1 0 341.383 1.312 20 5 EDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](CCCF)CC1 ZINC000599669522 450140975 /nfs/dbraw/zinc/14/09/75/450140975.db2.gz JYOJHHORTYWHES-CYBMUJFWSA-N 1 0 338.383 1.899 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC(C[NH+](C)C)C2)cc1SC ZINC000597708487 450211167 /nfs/dbraw/zinc/21/11/67/450211167.db2.gz MKXVHVXPFAQWTM-UHFFFAOYSA-N 1 0 339.417 1.959 20 5 EDBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000610335643 450195244 /nfs/dbraw/zinc/19/52/44/450195244.db2.gz HYRVHMGAZZQYFZ-WFASDCNBSA-N 1 0 334.376 1.902 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[N@@H+]1C1CC1 ZINC000610653945 450285922 /nfs/dbraw/zinc/28/59/22/450285922.db2.gz PPUWJGYMHYUNAE-MNOVXSKESA-N 1 0 347.371 1.721 20 5 EDBDRO O=[N+]([O-])c1ncccc1N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000603422247 450294732 /nfs/dbraw/zinc/29/47/32/450294732.db2.gz DQQGBWLTYFTCOF-CQSZACIVSA-N 1 0 335.408 1.198 20 5 EDBDRO CCc1ccc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000618924295 450342528 /nfs/dbraw/zinc/34/25/28/450342528.db2.gz WKMIGOLWCYKDKV-QGZVFWFLSA-N 1 0 335.404 1.686 20 5 EDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000610896764 450371594 /nfs/dbraw/zinc/37/15/94/450371594.db2.gz AKFJPVBWBGSNSA-AAEUAGOBSA-N 1 0 347.371 1.880 20 5 EDBDRO COc1c(C(=O)NCC[NH+]2CCC(OC)CC2)cccc1[N+](=O)[O-] ZINC000619439165 450473849 /nfs/dbraw/zinc/47/38/49/450473849.db2.gz JUQRNXNLTNPBIX-UHFFFAOYSA-N 1 0 337.376 1.444 20 5 EDBDRO Cc1nc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)ncc1[N+](=O)[O-] ZINC000450516941 486730682 /nfs/dbraw/zinc/73/06/82/486730682.db2.gz CWFVSBGEPPVCGX-SWLSCSKDSA-N 1 0 345.407 1.922 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(=O)n(C[C@@H](C[NH3+])c2ccc(F)cc2)c1 ZINC000577726687 485489218 /nfs/dbraw/zinc/48/92/18/485489218.db2.gz BKUGPOCRTWZLKZ-GFCCVEGCSA-N 1 0 349.318 1.425 20 5 EDBDRO COc1cc(CN2CC[N@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000187729060 533810730 /nfs/dbraw/zinc/81/07/30/533810730.db2.gz DFHILZYHHYPUTH-NSHDSACASA-N 1 0 327.356 1.241 20 5 EDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269283305 517480036 /nfs/dbraw/zinc/48/00/36/517480036.db2.gz RHVWRIKGXOHLLR-INIZCTEOSA-N 1 0 336.392 1.204 20 5 EDBDRO Cc1noc([C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000159773110 534448615 /nfs/dbraw/zinc/44/86/15/534448615.db2.gz POHQTIFDXWMOOW-GFCCVEGCSA-N 1 0 333.348 1.328 20 5 EDBDRO O=C(C[N@@H+]1CC[C@@]2(CCOC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000153929257 534547989 /nfs/dbraw/zinc/54/79/89/534547989.db2.gz GHYFHZYHHCLHQD-QGZVFWFLSA-N 1 0 331.372 1.596 20 5 EDBDRO O=C(NCC1=CC[NH2+]CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000186354121 534813182 /nfs/dbraw/zinc/81/31/82/534813182.db2.gz YIRRPPDUMZKFCI-UHFFFAOYSA-N 1 0 330.388 1.845 20 5 EDBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000346730089 536480972 /nfs/dbraw/zinc/48/09/72/536480972.db2.gz OMYCGZLLVULXGK-ZDUSSCGKSA-N 1 0 347.293 1.410 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000173894679 527818141 /nfs/dbraw/zinc/81/81/41/527818141.db2.gz MXZDTSVWJHPUJC-AWEZNQCLSA-N 1 0 346.431 1.758 20 5 EDBDRO CC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(OC)cc1 ZINC000174663955 529174055 /nfs/dbraw/zinc/17/40/55/529174055.db2.gz CXZJRFYEUPIIJW-GDBMZVCRSA-N 1 0 334.376 1.902 20 5 EDBDRO CC1(O)CC[NH+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000331992101 535196601 /nfs/dbraw/zinc/19/66/01/535196601.db2.gz DZVSTWOEJYSPCE-UHFFFAOYSA-N 1 0 335.360 1.740 20 5 EDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262470642 535439987 /nfs/dbraw/zinc/43/99/87/535439987.db2.gz YISRJRDHFFLDBY-CYBMUJFWSA-N 1 0 343.387 1.995 20 5 EDBDRO CCN1CC[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000345525614 535692147 /nfs/dbraw/zinc/69/21/47/535692147.db2.gz SHIMKNDEBOQHAF-UHFFFAOYSA-N 1 0 337.424 1.081 20 5 EDBDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000331302618 535959901 /nfs/dbraw/zinc/95/99/01/535959901.db2.gz XHVZZAQDIDQTGB-CQSZACIVSA-N 1 0 327.406 1.451 20 5 EDBDRO C[NH2+][C@@H]1CCCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000261864985 536364364 /nfs/dbraw/zinc/36/43/64/536364364.db2.gz ZXJVUAYVEICTCE-NWDGAFQWSA-N 1 0 336.392 1.614 20 5 EDBDRO Cc1ccccc1[C@H](O)C[NH2+][C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000741775621 579427511 /nfs/dbraw/zinc/42/75/11/579427511.db2.gz LSPUEMPXJXNQIL-KSZLIROESA-N 1 0 346.383 1.621 20 5 EDBDRO CC(C)[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+](C)C ZINC000730090020 578613353 /nfs/dbraw/zinc/61/33/53/578613353.db2.gz VHFYVQUPBLVACT-MRXNPFEDSA-N 1 0 334.420 1.830 20 5 EDBDRO C[NH+](C)CC1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000733975718 578790633 /nfs/dbraw/zinc/79/06/33/578790633.db2.gz KMISWVYOGMXGSA-UHFFFAOYSA-N 1 0 345.403 1.745 20 5 EDBDRO Cc1nn(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(C)c1[N+](=O)[O-] ZINC000738209244 579172518 /nfs/dbraw/zinc/17/25/18/579172518.db2.gz OSJBBWBEEOHVTK-OAHLLOKOSA-N 1 0 336.440 1.077 20 5 EDBDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000754777745 579911857 /nfs/dbraw/zinc/91/18/57/579911857.db2.gz KFUYZNZIPMGALI-CYBMUJFWSA-N 1 0 346.391 1.406 20 5 EDBDRO C[C@H](Cn1ccnc1)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778235460 580459587 /nfs/dbraw/zinc/45/95/87/580459587.db2.gz PGPODKVCHOEOOC-MRVPVSSYSA-N 1 0 332.345 1.615 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(NC3CC[NH+](C[C@H]4CCCO4)CC3)nn21 ZINC000767201377 580183687 /nfs/dbraw/zinc/18/36/87/580183687.db2.gz CQIAZVHEDCZHNA-CYBMUJFWSA-N 1 0 346.391 1.693 20 5 EDBDRO CC(=O)N1CCC([NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000768302774 580210418 /nfs/dbraw/zinc/21/04/18/580210418.db2.gz MEXFQGIOOLRUQF-UHFFFAOYSA-N 1 0 333.392 1.123 20 5 EDBDRO CC[NH+](CC)CCO[C@H]1CCN(Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000779865494 580500185 /nfs/dbraw/zinc/50/01/85/580500185.db2.gz PVSGORNSMNASSN-AWEZNQCLSA-N 1 0 325.413 1.490 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CC1 ZINC000781956448 580561360 /nfs/dbraw/zinc/56/13/60/580561360.db2.gz UHIXXFQFCNSWAT-HOTGVXAUSA-N 1 0 346.387 1.544 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCOCCS(C)(=O)=O ZINC000786811510 580679907 /nfs/dbraw/zinc/67/99/07/580679907.db2.gz DOKAHFFWVWXWOA-JLHYYAGUSA-N 1 0 342.417 1.649 20 5 EDBDRO Cc1nn(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000788383962 580720345 /nfs/dbraw/zinc/72/03/45/580720345.db2.gz OUADPGYPISABMO-MRXNPFEDSA-N 1 0 329.360 1.422 20 5 EDBDRO C[N@@H+]1CC[C@]2(CCN(Cn3c(=O)oc4cccc([N+](=O)[O-])c43)C2)C1 ZINC000793746412 580854510 /nfs/dbraw/zinc/85/45/10/580854510.db2.gz QMZOXCYTWKGECJ-INIZCTEOSA-N 1 0 332.360 1.488 20 5 EDBDRO CC(C)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](O)c1ccccc1 ZINC000794603618 580899569 /nfs/dbraw/zinc/89/95/69/580899569.db2.gz LQQCBIYFYSGNAW-YESZJQIVSA-N 1 0 348.403 1.500 20 5 EDBDRO CN(CC1CC[NH+](C)CC1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794626208 580900180 /nfs/dbraw/zinc/90/01/80/580900180.db2.gz OGJGPGFHAZATDF-UHFFFAOYSA-N 1 0 334.376 1.734 20 5 EDBDRO C[C@H]1C[C@@H](N2CCOCC2)CN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000804809351 590776406 /nfs/dbraw/zinc/77/64/06/590776406.db2.gz YPTLUTKGIHLIQW-QWHCGFSZSA-N 1 0 331.376 1.542 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000866871503 590781161 /nfs/dbraw/zinc/78/11/61/590781161.db2.gz OCUOJMPMUANKDR-GHMZBOCLSA-N 1 0 345.396 1.803 20 5 EDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000893982570 591152972 /nfs/dbraw/zinc/15/29/72/591152972.db2.gz WOFVJCTUEYTIKN-WCQYABFASA-N 1 0 330.388 1.976 20 5 EDBDRO COc1cc(OCC(=O)N[C@@]2(C)C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000892784613 591175583 /nfs/dbraw/zinc/17/55/83/591175583.db2.gz JNLQEXLLDPUYQM-KRWDZBQOSA-N 1 0 349.387 1.583 20 5 EDBDRO COC(=O)[C@@H]1[C@H](C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1(F)F ZINC000894229313 591237847 /nfs/dbraw/zinc/23/78/47/591237847.db2.gz OCPUFMJNCUXDMX-RYUDHWBXSA-N 1 0 330.287 1.618 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000841169829 591241344 /nfs/dbraw/zinc/24/13/44/591241344.db2.gz QBAIASLTJLPHNY-VIFPVBQESA-N 1 0 340.767 1.255 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)C2)c1 ZINC000895677318 591245370 /nfs/dbraw/zinc/24/53/70/591245370.db2.gz LGUCLIWIVVZGLQ-QXUHLLMWSA-N 1 0 344.240 1.643 20 5 EDBDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841183254 591273671 /nfs/dbraw/zinc/27/36/71/591273671.db2.gz SEPJGEKBPBUXKG-SNVBAGLBSA-N 1 0 328.756 1.286 20 5 EDBDRO COc1c(O)ccc(CN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c1[N+](=O)[O-] ZINC000894953661 591498556 /nfs/dbraw/zinc/49/85/56/591498556.db2.gz HDOGLCLPPQDBSE-NEPJUHHUSA-N 1 0 339.392 1.196 20 5 EDBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000898849634 591555001 /nfs/dbraw/zinc/55/50/01/591555001.db2.gz UGICWXBDFKDKAQ-GJZGRUSLSA-N 1 0 333.388 1.963 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CO)C[NH+]2CCCCC2)c1C ZINC000897724426 591636893 /nfs/dbraw/zinc/63/68/93/591636893.db2.gz DPMMBSMAAUZEFF-AWEZNQCLSA-N 1 0 335.404 1.788 20 5 EDBDRO Cc1ccc(CNC(=O)C2C[NH+](C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000899180414 591721214 /nfs/dbraw/zinc/72/12/14/591721214.db2.gz VUDJCLGIAGDEHO-UHFFFAOYSA-N 1 0 333.388 1.630 20 5 EDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c(Cl)c1 ZINC000897216025 591771162 /nfs/dbraw/zinc/77/11/62/591771162.db2.gz GZNUYYVUQDDONW-CHWSQXEVSA-N 1 0 326.784 1.679 20 5 EDBDRO O=[N+]([O-])c1cc2c(nc1N1CC[C@@H]3[C@@H]1CCC[N@H+]3CCO)CCCC2 ZINC000897219706 591774363 /nfs/dbraw/zinc/77/43/63/591774363.db2.gz NBZULNGXWPUCMN-CVEARBPZSA-N 1 0 346.431 1.904 20 5 EDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898120570 591788774 /nfs/dbraw/zinc/78/87/74/591788774.db2.gz DPUXNNFIOCFWKZ-UHFFFAOYSA-N 1 0 339.417 1.623 20 5 EDBDRO C[N@H+](CCO)CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000899738890 591927408 /nfs/dbraw/zinc/92/74/08/591927408.db2.gz PVNIWQKKFKIKOD-UHFFFAOYSA-N 1 0 335.282 1.268 20 5 EDBDRO O=C(N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C12CC[NH+](CC1)C2 ZINC000899941380 591990282 /nfs/dbraw/zinc/99/02/82/591990282.db2.gz GYEXUOGUCFUKRQ-UHFFFAOYSA-N 1 0 330.388 1.339 20 5 EDBDRO Cn1ccnc1[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000902464273 592000600 /nfs/dbraw/zinc/00/06/00/592000600.db2.gz BPFJWTSABZGKMF-BVUBDWEXSA-N 1 0 327.388 1.900 20 5 EDBDRO C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC[C@H]1C[NH3+] ZINC000900380181 592001983 /nfs/dbraw/zinc/00/19/83/592001983.db2.gz FZOKUMPGKJIJTA-QWRGUYRKSA-N 1 0 333.392 1.206 20 5 EDBDRO CS(=O)(=O)c1ccc(N2CCC[C@@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000900452674 592021841 /nfs/dbraw/zinc/02/18/41/592021841.db2.gz WEEHVLDARGWGSM-AWEZNQCLSA-N 1 0 325.390 1.331 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[NH2+]CCC12CCOCC2 ZINC000900480471 592030211 /nfs/dbraw/zinc/03/02/11/592030211.db2.gz QQZIMVITSCHQTO-UHFFFAOYSA-N 1 0 334.376 1.971 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000902709150 592048571 /nfs/dbraw/zinc/04/85/71/592048571.db2.gz VCOIFYLVXGGQER-FZMZJTMJSA-N 1 0 334.376 1.393 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)cc1 ZINC000903201894 592135069 /nfs/dbraw/zinc/13/50/69/592135069.db2.gz QMNXPJAKYPJZEA-UHFFFAOYSA-N 1 0 325.390 1.454 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCN(C[C@@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000906675647 592256806 /nfs/dbraw/zinc/25/68/06/592256806.db2.gz JRGXPYPSCHOCQZ-KRWDZBQOSA-N 1 0 334.420 1.174 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C[C@@H]1[NH+](C)C ZINC000906840375 592364416 /nfs/dbraw/zinc/36/44/16/592364416.db2.gz FKEWQNBUBPIGFS-YPMHNXCESA-N 1 0 349.387 1.778 20 5 EDBDRO O=[N+]([O-])c1cccc2c1CCN(Cc1cnnn1[C@H]1CCC[NH2+]C1)C2 ZINC000903894625 592366479 /nfs/dbraw/zinc/36/64/79/592366479.db2.gz ASHNTWQCEGYFLS-AWEZNQCLSA-N 1 0 342.403 1.669 20 5 EDBDRO O=[N+]([O-])CC[NH2+]CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000905098161 592421984 /nfs/dbraw/zinc/42/19/84/592421984.db2.gz ROJQWDZOBQZYGZ-UHFFFAOYSA-N 1 0 326.828 1.718 20 5 EDBDRO CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906955765 592434809 /nfs/dbraw/zinc/43/48/09/592434809.db2.gz IYBPSUAFVVAWQT-YPMHNXCESA-N 1 0 349.387 1.826 20 5 EDBDRO COc1cc(CC[NH2+]C[C@](C)(O)C(F)F)c([N+](=O)[O-])cc1OC ZINC000905890993 592669471 /nfs/dbraw/zinc/66/94/71/592669471.db2.gz DROLOWPPTVWYRW-AWEZNQCLSA-N 1 0 334.319 1.760 20 5 EDBDRO C[C@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(=O)N(C)C ZINC000838103694 593125145 /nfs/dbraw/zinc/12/51/45/593125145.db2.gz TVWRBZQQHSJDHP-JTQLQIEISA-N 1 0 332.316 1.414 20 5 EDBDRO Cc1nn(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000840175526 593337997 /nfs/dbraw/zinc/33/79/97/593337997.db2.gz VWBCXSVVVZUZKI-GFCCVEGCSA-N 1 0 331.376 1.621 20 5 EDBDRO COC(=O)CC(C)(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000761200075 593412899 /nfs/dbraw/zinc/41/28/99/593412899.db2.gz GHRKROQRYFOTCV-UHFFFAOYSA-N 1 0 339.348 1.473 20 5 EDBDRO O=C1NC(=O)C2(CC[NH+](Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)N1 ZINC000761533625 593417626 /nfs/dbraw/zinc/41/76/26/593417626.db2.gz WYESVHLPDGOTLU-UHFFFAOYSA-N 1 0 338.751 1.422 20 5 EDBDRO C[C@@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[N@@H+]1C1CC1 ZINC000811811696 593483398 /nfs/dbraw/zinc/48/33/98/593483398.db2.gz DEJMIVYBHGSPCO-ZJUUUORDSA-N 1 0 332.360 1.963 20 5 EDBDRO C[NH+]1CCC(ONC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000816533079 593530207 /nfs/dbraw/zinc/53/02/07/593530207.db2.gz IGLHLQLLTWVMHW-UHFFFAOYSA-N 1 0 345.359 1.536 20 5 EDBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000816567479 593531865 /nfs/dbraw/zinc/53/18/65/593531865.db2.gz BUTQKGXJRSDDBU-NSHDSACASA-N 1 0 341.795 1.825 20 5 EDBDRO Cc1c(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818010250 593656938 /nfs/dbraw/zinc/65/69/38/593656938.db2.gz KDLHCEBHRYPQON-GXSJLCMTSA-N 1 0 336.348 1.868 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H]1CC12CC[NH2+]CC2 ZINC000818604023 593707259 /nfs/dbraw/zinc/70/72/59/593707259.db2.gz YHXCCPPHPQOVEW-AWEZNQCLSA-N 1 0 329.360 1.203 20 5 EDBDRO CC(C)(CC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000818613693 593708048 /nfs/dbraw/zinc/70/80/48/593708048.db2.gz XPOYGFSSWWJLFM-UHFFFAOYSA-N 1 0 336.392 1.289 20 5 EDBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000818950412 593729818 /nfs/dbraw/zinc/72/98/18/593729818.db2.gz WOKWZFOZOSRBTC-PBHICJAKSA-N 1 0 328.372 1.874 20 5 EDBDRO CCS(=O)(=O)CC[NH2+]CCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000819093828 593738435 /nfs/dbraw/zinc/73/84/35/593738435.db2.gz ZDASBQTWERBQBM-UHFFFAOYSA-N 1 0 329.422 1.730 20 5 EDBDRO Cn1cc(N2CCC[C@H]([NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000819103694 593739037 /nfs/dbraw/zinc/73/90/37/593739037.db2.gz GHTYXHUQUBVSGQ-YOEHRIQHSA-N 1 0 345.403 1.620 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2ccc(Cl)nc2)c1 ZINC000819158656 593741891 /nfs/dbraw/zinc/74/18/91/593741891.db2.gz VWXOCTXXEWYSRQ-GFCCVEGCSA-N 1 0 325.756 1.033 20 5 EDBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819245702 593746421 /nfs/dbraw/zinc/74/64/21/593746421.db2.gz YWWLAMQRCWRWIT-ARFHVFGLSA-N 1 0 340.376 1.038 20 5 EDBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1n1cccn1 ZINC000819332359 593750896 /nfs/dbraw/zinc/75/08/96/593750896.db2.gz BTBHCRJNFABDEU-YLFCFFPRSA-N 1 0 346.387 1.833 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cc(F)cnc2Cl)c1 ZINC000819339456 593751174 /nfs/dbraw/zinc/75/11/74/593751174.db2.gz PKCBIHVGBBNSDZ-NSHDSACASA-N 1 0 329.719 1.130 20 5 EDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000820732269 593874789 /nfs/dbraw/zinc/87/47/89/593874789.db2.gz ZMFSSAODJLEADD-ONGXEEELSA-N 1 0 347.824 1.961 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000820752790 593880885 /nfs/dbraw/zinc/88/08/85/593880885.db2.gz RTODZHQDJHRBRJ-RNCFNFMXSA-N 1 0 329.364 1.670 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821624968 593886406 /nfs/dbraw/zinc/88/64/06/593886406.db2.gz BLWNUXMRVXPZKM-MFKMUULPSA-N 1 0 344.379 1.090 20 5 EDBDRO C[C@@H](CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000824407585 594004448 /nfs/dbraw/zinc/00/44/48/594004448.db2.gz YAVDDXYGPOKJOR-NSHDSACASA-N 1 0 346.395 1.846 20 5 EDBDRO Cc1c(C(=O)N[C@H]2CC[NH2+]CC2(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000825158444 594138228 /nfs/dbraw/zinc/13/82/28/594138228.db2.gz LQXKFAYQQIHLRC-ZDUSSCGKSA-N 1 0 336.348 1.929 20 5 EDBDRO CN(CC[N@H+](C)CCO)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000825528137 594197713 /nfs/dbraw/zinc/19/77/13/594197713.db2.gz XFCFFKHNTSXZSX-UHFFFAOYSA-N 1 0 327.356 1.049 20 5 EDBDRO COC(=O)Cc1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000827543113 594229175 /nfs/dbraw/zinc/22/91/75/594229175.db2.gz QVBOCNVSXUHAHA-AWEZNQCLSA-N 1 0 333.388 1.985 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)n1 ZINC000826500786 594503241 /nfs/dbraw/zinc/50/32/41/594503241.db2.gz MBXIOMJUPWMVDR-UHFFFAOYSA-N 1 0 340.347 1.250 20 5 EDBDRO CC[NH+]1CCC(CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000826535743 594521150 /nfs/dbraw/zinc/52/11/50/594521150.db2.gz CTHLJJWLLUGCEM-INIZCTEOSA-N 1 0 335.404 1.866 20 5 EDBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826740066 594567601 /nfs/dbraw/zinc/56/76/01/594567601.db2.gz ARVOAHXTOLFYCE-WMLDXEAASA-N 1 0 347.415 1.819 20 5 EDBDRO C[NH+](C)[C@@]1(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000826829782 594584542 /nfs/dbraw/zinc/58/45/42/594584542.db2.gz KIHLGJHWLBCAGL-DZGCQCFKSA-N 1 0 339.417 1.182 20 5 EDBDRO CCOc1ccc(C(=O)NC[C@H](C[NH+](C)C)OCC)cc1[N+](=O)[O-] ZINC000831771148 594701435 /nfs/dbraw/zinc/70/14/35/594701435.db2.gz JDBRNJSFXPZYKK-CYBMUJFWSA-N 1 0 339.392 1.690 20 5 EDBDRO CCO[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000831772276 594701822 /nfs/dbraw/zinc/70/18/22/594701822.db2.gz ZDYGCLTXTHBOCL-LLVKDONJSA-N 1 0 329.784 1.945 20 5 EDBDRO C[C@@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000841174480 594863727 /nfs/dbraw/zinc/86/37/27/594863727.db2.gz ZOCXJFBGGLXNTG-MRVPVSSYSA-N 1 0 326.740 1.007 20 5 EDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841201151 594867482 /nfs/dbraw/zinc/86/74/82/594867482.db2.gz RCEKLHHFXBQZGT-BDAKNGLRSA-N 1 0 340.767 1.382 20 5 EDBDRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841233643 594873837 /nfs/dbraw/zinc/87/38/37/594873837.db2.gz BAQZFHZDMLRNCH-CQSZACIVSA-N 1 0 340.767 1.384 20 5 EDBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000845630269 595035228 /nfs/dbraw/zinc/03/52/28/595035228.db2.gz ORCNTZXHXCBIIZ-UHFFFAOYSA-N 1 0 334.376 1.008 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000843355892 595085770 /nfs/dbraw/zinc/08/57/70/595085770.db2.gz LNLBMSICBJNTAM-IINYFYTJSA-N 1 0 340.355 1.111 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843364615 595088535 /nfs/dbraw/zinc/08/85/35/595088535.db2.gz MPRJCUPWJQIEFC-NXEZZACHSA-N 1 0 326.784 1.856 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842484655 595120125 /nfs/dbraw/zinc/12/01/25/595120125.db2.gz CNWFEJZIRMKVPM-CYBMUJFWSA-N 1 0 329.353 1.251 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2CC3(CC([NH3+])C3)C2)cc1C ZINC000842795740 595202251 /nfs/dbraw/zinc/20/22/51/595202251.db2.gz VBKOEQBXHQOATL-UHFFFAOYSA-N 1 0 339.417 1.760 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc([N+](=O)[O-])c1F ZINC000842833997 595212087 /nfs/dbraw/zinc/21/20/87/595212087.db2.gz PTBLALVLXXQXBN-ONGXEEELSA-N 1 0 331.369 1.319 20 5 EDBDRO CC1([NH+]2CCC2)CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000834795341 595214227 /nfs/dbraw/zinc/21/42/27/595214227.db2.gz HURDGJBDBRTCBX-UHFFFAOYSA-N 1 0 335.408 1.705 20 5 EDBDRO C[C@H](C[C@H](O)c1ccccc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000843086186 595283667 /nfs/dbraw/zinc/28/36/67/595283667.db2.gz ADLOXZKBZBKKNT-WQVCFCJDSA-N 1 0 334.376 1.254 20 5 EDBDRO C[C@H](C[C@H](O)c1cccs1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000843103409 595287754 /nfs/dbraw/zinc/28/77/54/595287754.db2.gz ARYZQZRIUKLARB-WXHSDQCUSA-N 1 0 340.405 1.316 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](O)Cc2cccc(F)c2)cc1 ZINC000843103108 595287794 /nfs/dbraw/zinc/28/77/94/595287794.db2.gz YZQCCXNOCWOIQN-SJORKVTESA-N 1 0 334.347 1.961 20 5 EDBDRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000867438685 595314908 /nfs/dbraw/zinc/31/49/08/595314908.db2.gz HXRQZFMIIKYWKW-UHFFFAOYSA-N 1 0 333.797 1.621 20 5 EDBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846911012 595336537 /nfs/dbraw/zinc/33/65/37/595336537.db2.gz GIIVYGBUEJADFP-RDTXWAMCSA-N 1 0 349.431 1.813 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848478094 595389358 /nfs/dbraw/zinc/38/93/58/595389358.db2.gz BNQSONNTYHOSHG-SJORKVTESA-N 1 0 346.431 1.894 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(-c2nc(CC[NH3+])no2)c1 ZINC000844905254 595410824 /nfs/dbraw/zinc/41/08/24/595410824.db2.gz AXGFIPSGVDJNGC-UHFFFAOYSA-N 1 0 328.332 1.699 20 5 EDBDRO COC(=O)CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000849319746 595505263 /nfs/dbraw/zinc/50/52/63/595505263.db2.gz FDKZVAFDODRWBX-SWLSCSKDSA-N 1 0 349.387 1.800 20 5 EDBDRO COc1cc(S(=O)(=O)NCC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000849428982 595525074 /nfs/dbraw/zinc/52/50/74/595525074.db2.gz HCWUEORXWMFXQG-JTQLQIEISA-N 1 0 331.394 1.222 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC(C)(C)[NH3+] ZINC000850589503 595541009 /nfs/dbraw/zinc/54/10/09/595541009.db2.gz UXISHKYUNUZPKK-UHFFFAOYSA-N 1 0 335.813 1.914 20 5 EDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764401 595600160 /nfs/dbraw/zinc/60/01/60/595600160.db2.gz QTSHTGCTYANSDL-SNVBAGLBSA-N 1 0 329.303 1.682 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](O)[C@@H]3CCCO3)CC2)cc1 ZINC000858468767 595804159 /nfs/dbraw/zinc/80/41/59/595804159.db2.gz JYLXVYRWKPJHDH-SJORKVTESA-N 1 0 335.404 1.693 20 5 EDBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000860828699 595810093 /nfs/dbraw/zinc/81/00/93/595810093.db2.gz KSYQRJRIRONAHF-KRWDZBQOSA-N 1 0 329.356 1.544 20 5 EDBDRO CN1CC[NH+](CC2CN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000858610307 595842326 /nfs/dbraw/zinc/84/23/26/595842326.db2.gz ATQYHYWONJNARX-UHFFFAOYSA-N 1 0 335.364 1.187 20 5 EDBDRO COc1cc(F)c([N+](=O)[O-])c(NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000858688179 595865559 /nfs/dbraw/zinc/86/55/59/595865559.db2.gz ZEFPHNUZUJESLQ-ZDUSSCGKSA-N 1 0 340.355 1.494 20 5 EDBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000856428355 595987976 /nfs/dbraw/zinc/98/79/76/595987976.db2.gz UUDRJBXIZYAKJP-CYBMUJFWSA-N 1 0 336.392 1.360 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000861525374 596014424 /nfs/dbraw/zinc/01/44/24/596014424.db2.gz VHXXDJXRIMPIAV-WCBMZHEXSA-N 1 0 338.339 1.238 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)c1 ZINC000859585801 596139631 /nfs/dbraw/zinc/13/96/31/596139631.db2.gz CTUKAYKTXFSCIR-IAGOWNOFSA-N 1 0 346.387 1.136 20 5 EDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000854654490 596151443 /nfs/dbraw/zinc/15/14/43/596151443.db2.gz KWFFMJFKEYSFGM-YPMHNXCESA-N 1 0 335.360 1.337 20 5 EDBDRO Cc1ccc([C@H](C)[NH2+]C[C@]23COC(=O)N2CCOC3)cc1[N+](=O)[O-] ZINC000866519930 596238793 /nfs/dbraw/zinc/23/87/93/596238793.db2.gz YHWKGOAQJLIJLW-LRDDRELGSA-N 1 0 335.360 1.775 20 5 EDBDRO C[C@](N)(C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000870884535 596388972 /nfs/dbraw/zinc/38/89/72/596388972.db2.gz ZPURIPAFYAVGPD-SJLPKXTDSA-N 1 0 346.431 1.856 20 5 EDBDRO C[NH+](C)C1(CNc2cc(F)c([N+](=O)[O-])cc2CO)CCOCC1 ZINC000865537928 596604392 /nfs/dbraw/zinc/60/43/92/596604392.db2.gz HVYWYVHZSCWWHA-UHFFFAOYSA-N 1 0 327.356 1.749 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000871814616 596710239 /nfs/dbraw/zinc/71/02/39/596710239.db2.gz DBVSUXGFFJQJSL-SWLSCSKDSA-N 1 0 339.417 1.387 20 5 EDBDRO CCc1nn(C)c(N(C)CC[NH+]2CC3(C2)CCOCC3)c1[N+](=O)[O-] ZINC000866256998 596839719 /nfs/dbraw/zinc/83/97/19/596839719.db2.gz DQEJYGQILYXPKA-UHFFFAOYSA-N 1 0 337.424 1.439 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000874173138 596952401 /nfs/dbraw/zinc/95/24/01/596952401.db2.gz FTDDTPJWBSECCB-WFASDCNBSA-N 1 0 346.387 1.394 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)cccc1[N+](=O)[O-] ZINC000874363118 597033992 /nfs/dbraw/zinc/03/39/92/597033992.db2.gz LRZKPNZMTGHLDF-LSDHHAIUSA-N 1 0 346.387 1.537 20 5 EDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000872779057 597064279 /nfs/dbraw/zinc/06/42/79/597064279.db2.gz DKHNFKVXKNJJNB-KGLIPLIRSA-N 1 0 329.360 1.917 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000873193392 597223474 /nfs/dbraw/zinc/22/34/74/597223474.db2.gz OOFDFEDXOUOJNG-QMCVQRASSA-N 1 0 335.404 1.206 20 5 EDBDRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000876731152 597310988 /nfs/dbraw/zinc/31/09/88/597310988.db2.gz NXQJECYFTOMKSE-AKTXMBNYSA-N 1 0 344.415 1.655 20 5 EDBDRO C[NH+](C)CC(C)(C)CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000124605494 597338321 /nfs/dbraw/zinc/33/83/21/597338321.db2.gz QIBOCSHNHOFOES-UHFFFAOYSA-N 1 0 327.356 1.817 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCc3cn4ccccc4n3)C2)c1 ZINC000877146148 597442650 /nfs/dbraw/zinc/44/26/50/597442650.db2.gz SZKABGUDEXWATA-UHFFFAOYSA-N 1 0 326.360 1.975 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877346685 597497772 /nfs/dbraw/zinc/49/77/72/597497772.db2.gz UILYIWIUOSLSGI-INIZCTEOSA-N 1 0 325.368 1.968 20 5 EDBDRO COc1cccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000877359645 597500875 /nfs/dbraw/zinc/50/08/75/597500875.db2.gz HTNHRNNPEBBVIZ-PSASIEDQSA-N 1 0 347.293 1.813 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C(F)(F)F ZINC000877369031 597503055 /nfs/dbraw/zinc/50/30/55/597503055.db2.gz LDFPXQDTZFXQKF-PWSUYJOCSA-N 1 0 331.294 1.733 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879574229 597637581 /nfs/dbraw/zinc/63/75/81/597637581.db2.gz BKOFTIPCXYRTER-CZUORRHYSA-N 1 0 332.404 1.868 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2ncn(CN3CC[NH+](C4CC4)CC3)n2)cc1 ZINC000129068132 597641614 /nfs/dbraw/zinc/64/16/14/597641614.db2.gz OTRXBDLQCQXOHP-UHFFFAOYSA-N 1 0 328.376 1.591 20 5 EDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000129287812 597767281 /nfs/dbraw/zinc/76/72/81/597767281.db2.gz KYLPZRICRULPGL-OCCSQVGLSA-N 1 0 346.387 1.876 20 5 EDBDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000880328342 597902686 /nfs/dbraw/zinc/90/26/86/597902686.db2.gz ARGZTXQBWUCLBK-QRTARXTBSA-N 1 0 334.372 1.903 20 5 EDBDRO COC(=O)c1cnc(N2CCC(C)([NH+]3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000882963179 598118679 /nfs/dbraw/zinc/11/86/79/598118679.db2.gz QRDCDWDVCOWYTL-UHFFFAOYSA-N 1 0 334.376 1.841 20 5 EDBDRO Cc1[nH]c(C)c(Cn2cc(Br)cc([N+](=O)[O-])c2=O)[nH+]1 ZINC000917227564 696976376 /nfs/dbraw/zinc/97/63/76/696976376.db2.gz DYFMZYNEWRSPPJ-UHFFFAOYSA-N 1 0 327.138 1.907 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(C)CCN(C(=O)/C=C/C2CC2)CC1 ZINC000940019651 700135065 /nfs/dbraw/zinc/13/50/65/700135065.db2.gz QUJUPRPXUZSNSY-AATRIKPKSA-N 1 0 347.419 1.765 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)c1C ZINC000237667525 698278510 /nfs/dbraw/zinc/27/85/10/698278510.db2.gz NTDVJYHZGYLNSK-LBPRGKRZSA-N 1 0 327.406 1.571 20 5 EDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1C[C@@H]3COC[C@@H]3O1)OCCO2 ZINC000922729522 704292964 /nfs/dbraw/zinc/29/29/64/704292964.db2.gz ITVLAXWZRMLXKQ-WQGACYEGSA-N 1 0 336.344 1.260 20 5 EDBDRO O=C(NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)c1cnon1 ZINC001001959387 708474190 /nfs/dbraw/zinc/47/41/90/708474190.db2.gz PHJHWDQXHZCLQT-UHFFFAOYSA-N 1 0 345.359 1.620 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000557627435 306231168 /nfs/dbraw/zinc/23/11/68/306231168.db2.gz UWELVSKKERRYSG-HUUCEWRRSA-N 1 0 335.360 1.209 20 5 EDBDRO C[NH+](C)CCOCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000345960752 282107945 /nfs/dbraw/zinc/10/79/45/282107945.db2.gz OHTFEFCZCVWNEW-UHFFFAOYSA-N 1 0 349.309 1.922 20 5 EDBDRO CC[C@@H](C)[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178004633 529393714 /nfs/dbraw/zinc/39/37/14/529393714.db2.gz VBBAJCFJYDAKEZ-VXGBXAGGSA-N 1 0 329.422 1.897 20 5 EDBDRO CCc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)c1[N+](=O)[O-] ZINC000171679821 529465536 /nfs/dbraw/zinc/46/55/36/529465536.db2.gz DARANCZJWNWWBK-UHFFFAOYSA-N 1 0 349.391 1.986 20 5 EDBDRO CCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000174723313 529468622 /nfs/dbraw/zinc/46/86/22/529468622.db2.gz JZVJELKNNRGUSQ-LBPRGKRZSA-N 1 0 335.408 1.875 20 5 EDBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000174869028 231328561 /nfs/dbraw/zinc/32/85/61/231328561.db2.gz JFDWKOHZAKJKSR-HNNXBMFYSA-N 1 0 329.404 1.998 20 5 EDBDRO C[C@@H]1CCCN(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000558750831 306246413 /nfs/dbraw/zinc/24/64/13/306246413.db2.gz SQZSBVPPTNLBLY-ZBFHGGJFSA-N 1 0 337.420 1.656 20 5 EDBDRO C[C@H]1CCCN(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000558750829 306246478 /nfs/dbraw/zinc/24/64/78/306246478.db2.gz SQZSBVPPTNLBLY-GOEBONIOSA-N 1 0 337.420 1.656 20 5 EDBDRO CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])c2c[nH+]ccc21 ZINC000176977860 282960636 /nfs/dbraw/zinc/96/06/36/282960636.db2.gz FVDJNQHGBNNXOM-UHFFFAOYSA-N 1 0 334.357 1.635 20 5 EDBDRO CN(CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1[N+](=O)[O-] ZINC000155073297 529829636 /nfs/dbraw/zinc/82/96/36/529829636.db2.gz ZATCUUUXSMFCBW-GJZGRUSLSA-N 1 0 346.431 1.974 20 5 EDBDRO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H]1CCCC[C@@H]1O ZINC000181471783 529829984 /nfs/dbraw/zinc/82/99/84/529829984.db2.gz POJCIBAKKJTQHG-PBHICJAKSA-N 1 0 347.415 1.967 20 5 EDBDRO CC(C)[NH+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000046701589 213806284 /nfs/dbraw/zinc/80/62/84/213806284.db2.gz DZSVHGVQVSSIRJ-UHFFFAOYSA-N 1 0 329.422 1.992 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000066106099 215013364 /nfs/dbraw/zinc/01/33/64/215013364.db2.gz HOWVRQVHPWSDPQ-ZDUSSCGKSA-N 1 0 325.390 1.454 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066105963 215012636 /nfs/dbraw/zinc/01/26/36/215012636.db2.gz RQCVXOYJUUPWTH-CYBMUJFWSA-N 1 0 339.417 1.762 20 5 EDBDRO CC(C)[NH+](CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(C)C ZINC000102324119 219194693 /nfs/dbraw/zinc/19/46/93/219194693.db2.gz QUJCYGKQGMSEKO-UHFFFAOYSA-N 1 0 325.413 1.761 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1ccc(O)cc1 ZINC000562995513 306314961 /nfs/dbraw/zinc/31/49/61/306314961.db2.gz UOBWMUVNGHQVON-HNNXBMFYSA-N 1 0 332.356 1.872 20 5 EDBDRO COC(=O)c1cc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000079034504 138259953 /nfs/dbraw/zinc/25/99/53/138259953.db2.gz RGSYGQVCIIWQIQ-AWEZNQCLSA-N 1 0 335.360 1.451 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000090552818 138279740 /nfs/dbraw/zinc/27/97/40/138279740.db2.gz KBIGHEQCHMASHP-OAHLLOKOSA-N 1 0 330.344 1.305 20 5 EDBDRO COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[N@H+](C)C1 ZINC000413500984 304064238 /nfs/dbraw/zinc/06/42/38/304064238.db2.gz OZPUGUDUDYMFHC-LBPRGKRZSA-N 1 0 344.371 1.684 20 5 EDBDRO C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187186756 236141290 /nfs/dbraw/zinc/14/12/90/236141290.db2.gz GKZHOLYZFHVRRW-GUYCJALGSA-N 1 0 345.403 1.989 20 5 EDBDRO CC[C@H](CO)[NH+]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000563955084 306353343 /nfs/dbraw/zinc/35/33/43/306353343.db2.gz YPKQQMQZEFCMMK-CQSZACIVSA-N 1 0 334.420 1.762 20 5 EDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000565156884 306376419 /nfs/dbraw/zinc/37/64/19/306376419.db2.gz NHWWUBVMZFDYKA-VXGBXAGGSA-N 1 0 329.360 1.732 20 5 EDBDRO COC(=O)COc1ccc(CN[C@@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000415042003 304153685 /nfs/dbraw/zinc/15/36/85/304153685.db2.gz PZWCDVKAEYZSHF-CQSZACIVSA-N 1 0 337.376 1.377 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000193462556 138969992 /nfs/dbraw/zinc/96/99/92/138969992.db2.gz IKQUYJRCOZZMCR-LDYMZIIASA-N 1 0 347.368 1.161 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCOC2CCCCCC2)c1 ZINC000567104564 306437889 /nfs/dbraw/zinc/43/78/89/306437889.db2.gz UMWHUGYLCDFDCB-CQSZACIVSA-N 1 0 326.397 1.481 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1SC ZINC000195264941 139011854 /nfs/dbraw/zinc/01/18/54/139011854.db2.gz CLCWOEJYFWDJNX-AOOOYVTPSA-N 1 0 337.401 1.617 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000236802052 139031991 /nfs/dbraw/zinc/03/19/91/139031991.db2.gz NMSDLRCETHQRCP-ZDUSSCGKSA-N 1 0 329.422 1.897 20 5 EDBDRO CC[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000237022129 139038369 /nfs/dbraw/zinc/03/83/69/139038369.db2.gz PDFSWYYOCKKNOX-UHFFFAOYSA-N 1 0 341.311 1.501 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000237175311 139043071 /nfs/dbraw/zinc/04/30/71/139043071.db2.gz ZJFPIQUIEHRINN-NSHDSACASA-N 1 0 325.340 1.571 20 5 EDBDRO Cc1c(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000237389871 139049832 /nfs/dbraw/zinc/04/98/32/139049832.db2.gz MMKQIJJTCWHDDW-GHMZBOCLSA-N 1 0 344.375 1.306 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000237506404 139052842 /nfs/dbraw/zinc/05/28/42/139052842.db2.gz YSLKNAGMRGDAIP-WCQYABFASA-N 1 0 344.375 1.375 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000080718668 217329027 /nfs/dbraw/zinc/32/90/27/217329027.db2.gz LJSJEIQRSWSTIP-AGUYFDCRSA-N 1 0 335.408 1.621 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000081033814 217353623 /nfs/dbraw/zinc/35/36/23/217353623.db2.gz DJTARGIJZBPDPQ-UHFFFAOYSA-N 1 0 333.388 1.461 20 5 EDBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111607370 220170882 /nfs/dbraw/zinc/17/08/82/220170882.db2.gz TYANLGDPWXYSMH-UHFFFAOYSA-N 1 0 344.371 1.604 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000237863794 139062244 /nfs/dbraw/zinc/06/22/44/139062244.db2.gz MWJNNBOQXIHSJC-ZIAGYGMSSA-N 1 0 332.404 1.761 20 5 EDBDRO Nc1c(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000237876523 139062584 /nfs/dbraw/zinc/06/25/84/139062584.db2.gz VLXIDXSTBMZPOW-UHFFFAOYSA-N 1 0 336.367 1.920 20 5 EDBDRO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000238009521 139066347 /nfs/dbraw/zinc/06/63/47/139066347.db2.gz DJCFZCLDUNDHJP-KGLIPLIRSA-N 1 0 332.404 1.761 20 5 EDBDRO COc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000246738895 139119643 /nfs/dbraw/zinc/11/96/43/139119643.db2.gz NVJWNKXEFREBAE-NVXWUHKLSA-N 1 0 346.387 1.998 20 5 EDBDRO O=C(NC[C@H]1[NH2+]CCc2ccccc21)Nc1ccncc1[N+](=O)[O-] ZINC000415386432 304210926 /nfs/dbraw/zinc/21/09/26/304210926.db2.gz PFDSICZIJNWXOK-CQSZACIVSA-N 1 0 327.344 1.420 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000248502054 139166361 /nfs/dbraw/zinc/16/63/61/139166361.db2.gz UCMLTKIWMWJEIN-DAOPMYJZSA-N 1 0 341.433 1.931 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000248573011 139167898 /nfs/dbraw/zinc/16/78/98/139167898.db2.gz CZUVKHAQYSJGBH-CYZMBNFOSA-N 1 0 325.390 1.261 20 5 EDBDRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000261680099 139216956 /nfs/dbraw/zinc/21/69/56/139216956.db2.gz MPNXLUFFSAHCAY-UHFFFAOYSA-N 1 0 327.344 1.652 20 5 EDBDRO CN(C)S(=O)(=O)c1ccc(N(C)CC(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC000261730700 139221313 /nfs/dbraw/zinc/22/13/13/139221313.db2.gz MURPRJFQDTVFAG-UHFFFAOYSA-N 1 0 344.437 1.266 20 5 EDBDRO C[NH2+][C@H](C)Cc1noc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000261879439 139233500 /nfs/dbraw/zinc/23/35/00/139233500.db2.gz WCZVGMCXPYNORD-SNVBAGLBSA-N 1 0 333.348 1.101 20 5 EDBDRO Cc1cc(NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000415419296 250918599 /nfs/dbraw/zinc/91/85/99/250918599.db2.gz PYSIRPMMCBFINV-AWEZNQCLSA-N 1 0 333.392 1.415 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000262162156 139256463 /nfs/dbraw/zinc/25/64/63/139256463.db2.gz JHNAHDOJSGANSY-LLVKDONJSA-N 1 0 327.768 1.585 20 5 EDBDRO Cc1c(NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000415509642 250979486 /nfs/dbraw/zinc/97/94/86/250979486.db2.gz XAFUVEREPAZFPY-LBPRGKRZSA-N 1 0 336.392 1.674 20 5 EDBDRO Cc1ccc(OCCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000569351193 306504838 /nfs/dbraw/zinc/50/48/38/306504838.db2.gz SNFASFWVKOGJHA-OAHLLOKOSA-N 1 0 334.376 1.519 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000417723211 251242642 /nfs/dbraw/zinc/24/26/42/251242642.db2.gz WOPBEWKZPABWNX-AWEZNQCLSA-N 1 0 349.435 1.956 20 5 EDBDRO CC[C@@H](NC(=O)NCCCN1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000417819224 251282268 /nfs/dbraw/zinc/28/22/68/251282268.db2.gz BRLTWVBBGXPZAL-MRXNPFEDSA-N 1 0 349.435 1.640 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000262522253 139284139 /nfs/dbraw/zinc/28/41/39/139284139.db2.gz OFNHXQZVXVWFTM-NXEZZACHSA-N 1 0 345.808 1.478 20 5 EDBDRO C[C@@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000262564933 139286971 /nfs/dbraw/zinc/28/69/71/139286971.db2.gz WKIFRKZKKJLOTD-DGCLKSJQSA-N 1 0 327.406 1.341 20 5 EDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000262569761 139287340 /nfs/dbraw/zinc/28/73/40/139287340.db2.gz GHTCJKUQMBGELN-ZDUSSCGKSA-N 1 0 332.404 1.924 20 5 EDBDRO COc1ccc(CSCC(=O)NC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000262554537 139286242 /nfs/dbraw/zinc/28/62/42/139286242.db2.gz VWWFPGKTNOQCOZ-UHFFFAOYSA-N 1 0 327.406 1.690 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[NH2+]C2)c(S(=O)(=O)N2CCCC2)c1 ZINC000420134712 251608724 /nfs/dbraw/zinc/60/87/24/251608724.db2.gz FSLFTTNTRDFGIX-LLVKDONJSA-N 1 0 340.405 1.153 20 5 EDBDRO C[C@@H]1[NH2+]CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C ZINC000262701248 139297390 /nfs/dbraw/zinc/29/73/90/139297390.db2.gz ASYAUSHQJGPFCP-RYUDHWBXSA-N 1 0 329.360 1.603 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000262753911 139301364 /nfs/dbraw/zinc/30/13/64/139301364.db2.gz HDLJSMGKOZXJMQ-GZMMTYOYSA-N 1 0 347.368 1.019 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000422845969 251996988 /nfs/dbraw/zinc/99/69/88/251996988.db2.gz DHWTZSNLGYRPHR-IAQYHMDHSA-N 1 0 349.387 1.971 20 5 EDBDRO COc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000423946267 252107279 /nfs/dbraw/zinc/10/72/79/252107279.db2.gz INHQELNSDOLBJJ-APPZFPTMSA-N 1 0 345.302 1.624 20 5 EDBDRO Cc1n[nH]c(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000424049272 252124641 /nfs/dbraw/zinc/12/46/41/252124641.db2.gz ZLOVEHOANQDRRR-OLZOCXBDSA-N 1 0 347.350 1.722 20 5 EDBDRO COC[C@]1(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000415630356 304242660 /nfs/dbraw/zinc/24/26/60/304242660.db2.gz KUKBXUZHOALLPY-CQSZACIVSA-N 1 0 326.328 1.624 20 5 EDBDRO CO[C@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000415631198 304243082 /nfs/dbraw/zinc/24/30/82/304243082.db2.gz MGUCQGABVQSHSN-OLZOCXBDSA-N 1 0 326.328 1.704 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000153609798 224129643 /nfs/dbraw/zinc/12/96/43/224129643.db2.gz XHLIWDBCTCMRLO-CQSZACIVSA-N 1 0 327.406 1.451 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c(Cl)c1 ZINC000370102803 285137960 /nfs/dbraw/zinc/13/79/60/285137960.db2.gz PISAZMRXLVRPNK-CABZTGNLSA-N 1 0 345.808 1.621 20 5 EDBDRO O=[N+]([O-])c1cnc(N2CCC([NH2+]CCO)CC2)c(C(F)(F)F)c1 ZINC000413211964 285172334 /nfs/dbraw/zinc/17/23/34/285172334.db2.gz QQXXPWGQOXDXIH-UHFFFAOYSA-N 1 0 334.298 1.559 20 5 EDBDRO COc1ccc(OCC[NH2+]C2(CO)CCSCC2)c([N+](=O)[O-])c1 ZINC000459709865 254996189 /nfs/dbraw/zinc/99/61/89/254996189.db2.gz LAMMLSKSJNTYAM-UHFFFAOYSA-N 1 0 342.417 1.830 20 5 EDBDRO COCC[NH2+]C1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000493104405 255191544 /nfs/dbraw/zinc/19/15/44/255191544.db2.gz JONNYFSHZRNRIE-DAXSKMNVSA-N 1 0 333.388 1.835 20 5 EDBDRO CCC[NH+](CCC)CCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000263923984 139369943 /nfs/dbraw/zinc/36/99/43/139369943.db2.gz DJWFPQJFGGXJFY-UHFFFAOYSA-N 1 0 325.413 1.810 20 5 EDBDRO Cc1nn(CCC(=O)NCC[N@H+]2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000263989282 139374124 /nfs/dbraw/zinc/37/41/24/139374124.db2.gz NESZUVJRCCYOPQ-LBPRGKRZSA-N 1 0 337.424 1.646 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000415811692 304276861 /nfs/dbraw/zinc/27/68/61/304276861.db2.gz YXWIMKHIKVUDEM-GFCCVEGCSA-N 1 0 334.376 1.490 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000119346157 221300402 /nfs/dbraw/zinc/30/04/02/221300402.db2.gz WMEPAYOLSQTVOS-KGLIPLIRSA-N 1 0 335.408 1.433 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1C ZINC000171628757 291991977 /nfs/dbraw/zinc/99/19/77/291991977.db2.gz IQBPTARQDYQTDW-GFCCVEGCSA-N 1 0 341.433 1.960 20 5 EDBDRO CC[NH2+]CC1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000420215870 285586839 /nfs/dbraw/zinc/58/68/39/285586839.db2.gz SOUNNTCPTJDYQY-UHFFFAOYSA-N 1 0 342.421 1.068 20 5 EDBDRO C[NH+](C)CCn1cc(NC(=O)c2csc([N+](=O)[O-])c2)ccc1=O ZINC000270047689 140038786 /nfs/dbraw/zinc/03/87/86/140038786.db2.gz BTUJTWMDCZOSMK-UHFFFAOYSA-N 1 0 336.373 1.632 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([N@H+](C)CCCO)CC2)c1 ZINC000270357345 140085422 /nfs/dbraw/zinc/08/54/22/140085422.db2.gz HZHLHIKGCQLLHJ-UHFFFAOYSA-N 1 0 335.404 1.822 20 5 EDBDRO CC1=CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000270388661 140090688 /nfs/dbraw/zinc/09/06/88/140090688.db2.gz XRYQGXKVQXICJN-UHFFFAOYSA-N 1 0 344.415 1.895 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC000270759049 140163495 /nfs/dbraw/zinc/16/34/95/140163495.db2.gz LZAQJYPDKOJQGH-AWEZNQCLSA-N 1 0 343.387 1.895 20 5 EDBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1O ZINC000270971692 140210725 /nfs/dbraw/zinc/21/07/25/140210725.db2.gz WGQRSNCNYUKGHV-FZMZJTMJSA-N 1 0 337.376 1.635 20 5 EDBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc2c(c1)CC(=O)N2C ZINC000271862598 140362552 /nfs/dbraw/zinc/36/25/52/140362552.db2.gz UHMUJWLYIOCPSZ-NSHDSACASA-N 1 0 329.360 1.661 20 5 EDBDRO Cn1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000331690000 141067919 /nfs/dbraw/zinc/06/79/19/141067919.db2.gz XXRSFELLZSPGNN-CQSZACIVSA-N 1 0 343.387 1.771 20 5 EDBDRO C[C@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[C@H]1O ZINC000332027184 141112694 /nfs/dbraw/zinc/11/26/94/141112694.db2.gz HJCUIATUTUACQR-SMDDNHRTSA-N 1 0 335.360 1.596 20 5 EDBDRO CCNC(=O)[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000339314570 142011823 /nfs/dbraw/zinc/01/18/23/142011823.db2.gz IKPYWBWYMYXDFL-MRXNPFEDSA-N 1 0 348.403 1.234 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(CCOc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000339388258 142034227 /nfs/dbraw/zinc/03/42/27/142034227.db2.gz ZSABPQXBXHPFBU-IRXDYDNUSA-N 1 0 335.404 1.769 20 5 EDBDRO Cc1nn(CCC(=O)NCC2CCC(C[NH3+])CC2)c(C)c1[N+](=O)[O-] ZINC000343603164 142863514 /nfs/dbraw/zinc/86/35/14/142863514.db2.gz RJKMGCWMLZMBGA-UHFFFAOYSA-N 1 0 337.424 1.680 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000345529359 143102243 /nfs/dbraw/zinc/10/22/43/143102243.db2.gz CFKPHLUQKMQCRG-GFCCVEGCSA-N 1 0 337.405 1.580 20 5 EDBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000345687059 143121451 /nfs/dbraw/zinc/12/14/51/143121451.db2.gz YGYIUVMOQIOVRN-LLVKDONJSA-N 1 0 340.355 1.654 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346136963 143171517 /nfs/dbraw/zinc/17/15/17/143171517.db2.gz FJKIYFSDITYIIX-YRGRVCCFSA-N 1 0 335.408 1.288 20 5 EDBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000347070927 143278949 /nfs/dbraw/zinc/27/89/49/143278949.db2.gz DUHYPBYKSHOOSB-JSGCOSHPSA-N 1 0 343.387 1.894 20 5 EDBDRO C[C@@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000347104140 143283133 /nfs/dbraw/zinc/28/31/33/143283133.db2.gz ZBMIRUWRHDXYSI-RISCZKNCSA-N 1 0 347.371 1.868 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000347159398 143289197 /nfs/dbraw/zinc/28/91/97/143289197.db2.gz QCWADJVKQCOHOQ-UHFFFAOYSA-N 1 0 341.433 1.866 20 5 EDBDRO Cc1c(NC(=O)CC[NH+]2[C@@H](CO)CC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000347301954 143305753 /nfs/dbraw/zinc/30/57/53/143305753.db2.gz FCJFUYOERMAMDP-CHWSQXEVSA-N 1 0 337.376 1.049 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCC(F)(F)F)cc1 ZINC000573317871 306618190 /nfs/dbraw/zinc/61/81/90/306618190.db2.gz ZHLJPPHOKKTKLC-UHFFFAOYSA-N 1 0 326.296 1.911 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000353055729 149268715 /nfs/dbraw/zinc/26/87/15/149268715.db2.gz GXFNRCDQFOIXKJ-LBPRGKRZSA-N 1 0 327.406 1.584 20 5 EDBDRO Cc1nc(CC[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)no1 ZINC000353203035 149322941 /nfs/dbraw/zinc/32/29/41/149322941.db2.gz QBZFZGHTRQWKKD-UHFFFAOYSA-N 1 0 333.348 1.789 20 5 EDBDRO CC(C)[C@H]1CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000353623815 149468132 /nfs/dbraw/zinc/46/81/32/149468132.db2.gz SCBVMHSHFRHMPR-OLZOCXBDSA-N 1 0 341.433 1.897 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)cc1[N+](=O)[O-] ZINC000354932420 150040065 /nfs/dbraw/zinc/04/00/65/150040065.db2.gz RLMCTCJLSHOKID-WCQYABFASA-N 1 0 338.360 1.349 20 5 EDBDRO CSC1(CNC(=O)c2ccc([N+](=O)[O-])n2C)CC[NH+](C)CC1 ZINC000355455270 150275670 /nfs/dbraw/zinc/27/56/70/150275670.db2.gz MBKVMMCYHSVVKR-UHFFFAOYSA-N 1 0 326.422 1.491 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000355651578 150350545 /nfs/dbraw/zinc/35/05/45/150350545.db2.gz BCZVSZHLTDRBAC-GFCCVEGCSA-N 1 0 337.376 1.444 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(N3CCC([NH2+]CCO)CC3)n2)cc1 ZINC000357434720 151031824 /nfs/dbraw/zinc/03/18/24/151031824.db2.gz CJAFFDUBUPVJEF-UHFFFAOYSA-N 1 0 333.348 1.196 20 5 EDBDRO Cn1c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000357468145 151040892 /nfs/dbraw/zinc/04/08/92/151040892.db2.gz YHCOUSSCAPDTPD-UHFFFAOYSA-N 1 0 343.387 1.975 20 5 EDBDRO NC(=O)c1ccnc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000357508893 151051907 /nfs/dbraw/zinc/05/19/07/151051907.db2.gz IRHKMNBDXKWYFM-GFCCVEGCSA-N 1 0 333.392 1.765 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000357984816 151221939 /nfs/dbraw/zinc/22/19/39/151221939.db2.gz HDCQJTNCIZNLPW-LBPRGKRZSA-N 1 0 349.387 1.319 20 5 EDBDRO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[NH+](C)CC1 ZINC000358024402 151237898 /nfs/dbraw/zinc/23/78/98/151237898.db2.gz KJFBFQRHKCTTIC-GFCCVEGCSA-N 1 0 346.387 1.707 20 5 EDBDRO O=C1[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]2CCCCN12 ZINC000573835425 306636482 /nfs/dbraw/zinc/63/64/82/306636482.db2.gz OPYXIQREPBTPIE-JGGQBBKZSA-N 1 0 349.387 1.078 20 5 EDBDRO C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1ccccc1F ZINC000573913984 306638203 /nfs/dbraw/zinc/63/82/03/306638203.db2.gz QTBGWBXFWNIZCS-WCQYABFASA-N 1 0 338.339 1.348 20 5 EDBDRO CC[C@H]1CN(c2c([N+](=O)[O-])nc(C)n2CC)CC[N@@H+]1CCOC ZINC000360903880 152247383 /nfs/dbraw/zinc/24/73/83/152247383.db2.gz LFFWVXYEZFZTGN-ZDUSSCGKSA-N 1 0 325.413 1.667 20 5 EDBDRO COc1cc(OCC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000361078130 152296797 /nfs/dbraw/zinc/29/67/97/152296797.db2.gz GENZZMZNVUFFAS-UONOGXRCSA-N 1 0 349.387 1.487 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000361437799 152396194 /nfs/dbraw/zinc/39/61/94/152396194.db2.gz PWQAXYRVISOOBN-UHFFFAOYSA-N 1 0 344.375 1.118 20 5 EDBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](C)CN1CCO ZINC000417160278 304379205 /nfs/dbraw/zinc/37/92/05/304379205.db2.gz PGNVWPJAZGNSBY-MNOVXSKESA-N 1 0 340.355 1.653 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(CC(=O)NC(C)C)CC1 ZINC000363893791 153088313 /nfs/dbraw/zinc/08/83/13/153088313.db2.gz YKTSFCQRHXJQKV-UHFFFAOYSA-N 1 0 348.447 1.936 20 5 EDBDRO CCc1n[nH]c(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000370222700 155385059 /nfs/dbraw/zinc/38/50/59/155385059.db2.gz MWYWZLFQSIORMU-OCCSQVGLSA-N 1 0 343.387 1.708 20 5 EDBDRO CCOC(=O)CN1CCCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000364842436 153349099 /nfs/dbraw/zinc/34/90/99/153349099.db2.gz FSHHTOUTAWYGNG-UHFFFAOYSA-N 1 0 349.347 1.206 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000417202393 304384411 /nfs/dbraw/zinc/38/44/11/304384411.db2.gz XNZLPDNLUAJXGB-STQMWFEESA-N 1 0 334.376 1.354 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000261764727 286384495 /nfs/dbraw/zinc/38/44/95/286384495.db2.gz QDQCVYLPLQTVFE-CMPLNLGQSA-N 1 0 343.405 1.494 20 5 EDBDRO O=C(C[N@@H+]1CC[C@]2(C1)CCCOC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000367451795 154127364 /nfs/dbraw/zinc/12/73/64/154127364.db2.gz RSQTYVNDUCOLGK-SFHVURJKSA-N 1 0 345.399 1.986 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000367694054 154232225 /nfs/dbraw/zinc/23/22/25/154232225.db2.gz BAFOCCIWPUMKMP-ZBFHGGJFSA-N 1 0 332.404 1.873 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)[NH2+]C2CC(c3ccccn3)C2)cc1 ZINC000368020326 154371633 /nfs/dbraw/zinc/37/16/33/154371633.db2.gz VJWSEBMCHSDYTQ-JOCCRWCTSA-N 1 0 343.383 1.920 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC000373871980 157042793 /nfs/dbraw/zinc/04/27/93/157042793.db2.gz QZZLWXIKOQOGMB-CQSZACIVSA-N 1 0 344.375 1.431 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c2nonc21 ZINC000375772646 157653386 /nfs/dbraw/zinc/65/33/86/157653386.db2.gz KDNNWJKQVCHXHY-ZWNOBZJWSA-N 1 0 333.348 1.166 20 5 EDBDRO C[C@H]1CN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C[NH2+]1 ZINC000418084118 304456146 /nfs/dbraw/zinc/45/61/46/304456146.db2.gz OMEJQZQZZSCGRV-UWVGGRQHSA-N 1 0 332.364 1.363 20 5 EDBDRO C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000067764254 287247138 /nfs/dbraw/zinc/24/71/38/287247138.db2.gz IFJMQNRXCZVVST-CYBMUJFWSA-N 1 0 348.403 1.770 20 5 EDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418448787 304496280 /nfs/dbraw/zinc/49/62/80/304496280.db2.gz SDNIANZUROMJLO-AWEZNQCLSA-N 1 0 349.435 1.800 20 5 EDBDRO CCOc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC000194724583 273005654 /nfs/dbraw/zinc/00/56/54/273005654.db2.gz KNROQRDHMQZWOY-NSHDSACASA-N 1 0 337.376 1.826 20 5 EDBDRO C[NH2+]C[C@H](C)CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237109408 273007757 /nfs/dbraw/zinc/00/77/57/273007757.db2.gz GTSXWADUVPWIDN-JTQLQIEISA-N 1 0 329.784 1.989 20 5 EDBDRO C[C@H]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1C[NH3+] ZINC000237658304 273011737 /nfs/dbraw/zinc/01/17/37/273011737.db2.gz IKAQWJKASRMJPP-BLLLJJGKSA-N 1 0 343.387 1.980 20 5 EDBDRO C[C@@H]1[C@H](C)[S@](=O)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273348195 268032239 /nfs/dbraw/zinc/03/22/39/268032239.db2.gz OUBJHXUSAUNTOQ-VGTRVLQQSA-N 1 0 342.417 1.176 20 5 EDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273480209 268048297 /nfs/dbraw/zinc/04/82/97/268048297.db2.gz MKTXVTUYHQZFSN-LLVKDONJSA-N 1 0 342.421 1.020 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273525150 268058668 /nfs/dbraw/zinc/05/86/68/268058668.db2.gz XMVIMMAWRLZQDD-SKDRFNHKSA-N 1 0 340.405 1.137 20 5 EDBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000274057483 268103534 /nfs/dbraw/zinc/10/35/34/268103534.db2.gz ZOUAFOJSSWJHBK-IUODEOHRSA-N 1 0 341.433 1.946 20 5 EDBDRO Nc1c(F)c(N2CCC(C[NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000274703391 268188832 /nfs/dbraw/zinc/18/88/32/268188832.db2.gz VIWVHNAKZTYERK-UHFFFAOYSA-N 1 0 338.383 1.865 20 5 EDBDRO C[C@H](NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000279073745 268782753 /nfs/dbraw/zinc/78/27/53/268782753.db2.gz UGGNFKJALKOBJM-JQWIXIFHSA-N 1 0 329.360 1.886 20 5 EDBDRO CC[NH+](CC)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000044669941 272911092 /nfs/dbraw/zinc/91/10/92/272911092.db2.gz KWMJBOCDPKYGFE-INIZCTEOSA-N 1 0 345.403 1.991 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000277270485 273185505 /nfs/dbraw/zinc/18/55/05/273185505.db2.gz RQEUVEUDQJWODC-CABCVRRESA-N 1 0 337.420 1.751 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)c1 ZINC000283898742 274002755 /nfs/dbraw/zinc/00/27/55/274002755.db2.gz JAEQATQWEPDQQX-GFCCVEGCSA-N 1 0 337.376 1.444 20 5 EDBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000284120491 274087467 /nfs/dbraw/zinc/08/74/67/274087467.db2.gz NQTMACCSUHTSBQ-FZMZJTMJSA-N 1 0 336.392 1.465 20 5 EDBDRO CS[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH+](C)C ZINC000270406100 274181570 /nfs/dbraw/zinc/18/15/70/274181570.db2.gz ADJUAMPZKMRWQO-QWHCGFSZSA-N 1 0 349.416 1.589 20 5 EDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)/C=C/c2ccccc2[N+](=O)[O-])[N@H+](C)C1 ZINC000284740026 274313250 /nfs/dbraw/zinc/31/32/50/274313250.db2.gz UPOFZPKQJPWAKV-JJGIJDNGSA-N 1 0 333.388 1.786 20 5 EDBDRO C[C@H]1[NH2+]CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000262866234 274632733 /nfs/dbraw/zinc/63/27/33/274632733.db2.gz UOISUUWITKVDJB-NXEZZACHSA-N 1 0 330.344 1.671 20 5 EDBDRO CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@@H+]1CCOC ZINC000346586425 276030757 /nfs/dbraw/zinc/03/07/57/276030757.db2.gz LJUCIPHCMPTFHQ-CYBMUJFWSA-N 1 0 338.408 1.506 20 5 EDBDRO CC[NH2+]CC1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000420211395 276419949 /nfs/dbraw/zinc/41/99/49/276419949.db2.gz OFTNMNYYTYBRAA-UHFFFAOYSA-N 1 0 342.421 1.068 20 5 EDBDRO Cc1cc(NC[C@H](O)CN2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272887671 278733853 /nfs/dbraw/zinc/73/38/53/278733853.db2.gz XGLGLGVQJQYSJF-AWEZNQCLSA-N 1 0 346.387 1.556 20 5 EDBDRO Cn1cc([C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]2C(N)=O)cn1 ZINC000286766940 288081559 /nfs/dbraw/zinc/08/15/59/288081559.db2.gz MUXIXYQWLOISMC-OLZOCXBDSA-N 1 0 347.350 1.168 20 5 EDBDRO [NH3+]CC[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F ZINC000449719532 279631225 /nfs/dbraw/zinc/63/12/25/279631225.db2.gz LJKLTVWTSQZLTM-NSHDSACASA-N 1 0 349.265 1.376 20 5 EDBDRO COC(=O)c1cc(C)nc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000287169375 288171855 /nfs/dbraw/zinc/17/18/55/288171855.db2.gz GWRGXMBVTBQFKG-RYUDHWBXSA-N 1 0 334.376 1.758 20 5 EDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289087939 288626843 /nfs/dbraw/zinc/62/68/43/288626843.db2.gz BIVLVGLSMNZPGN-KRWDZBQOSA-N 1 0 332.404 1.877 20 5 EDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000289292521 288667515 /nfs/dbraw/zinc/66/75/15/288667515.db2.gz UQFVJVSGCSNKGF-JSGCOSHPSA-N 1 0 336.396 1.060 20 5 EDBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000289833088 288787307 /nfs/dbraw/zinc/78/73/07/288787307.db2.gz QIMBCOAAOROLSW-CHWSQXEVSA-N 1 0 341.371 1.462 20 5 EDBDRO C[NH+](C)CC1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000324189082 289106725 /nfs/dbraw/zinc/10/67/25/289106725.db2.gz YVHKLXBIDYBNNR-UHFFFAOYSA-N 1 0 345.396 1.696 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000340878584 297063365 /nfs/dbraw/zinc/06/33/65/297063365.db2.gz JBDANTBNJVTVPK-SKDRFNHKSA-N 1 0 347.824 1.819 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000418607704 304518140 /nfs/dbraw/zinc/51/81/40/304518140.db2.gz RAXJXSHSPXWKJI-UONOGXRCSA-N 1 0 347.419 1.567 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)cccc1[N+](=O)[O-] ZINC000419762383 304681610 /nfs/dbraw/zinc/68/16/10/304681610.db2.gz RYJUHMZWHHYJDO-AWEZNQCLSA-N 1 0 348.403 1.153 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1C ZINC000261819015 301425981 /nfs/dbraw/zinc/42/59/81/301425981.db2.gz HFTMAPDANAMVCU-ZWNOBZJWSA-N 1 0 341.433 1.817 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1C[NH2+]CCCO1 ZINC000420277186 304742500 /nfs/dbraw/zinc/74/25/00/304742500.db2.gz PZAJFXYEGBZGLI-JTQLQIEISA-N 1 0 343.767 1.825 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)c1 ZINC000420445078 304759034 /nfs/dbraw/zinc/75/90/34/304759034.db2.gz ZQZWOLADIVSXLA-NEPJUHHUSA-N 1 0 327.406 1.583 20 5 EDBDRO CC1=CC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293638272 302996098 /nfs/dbraw/zinc/99/60/98/302996098.db2.gz NRMHFOXSLIIANC-ZDUSSCGKSA-N 1 0 339.417 1.962 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C ZINC000294655189 303133140 /nfs/dbraw/zinc/13/31/40/303133140.db2.gz NIEWBGUMDMZXJR-BXUZGUMPSA-N 1 0 337.376 1.131 20 5 EDBDRO C[NH+]1CCN(c2ncccc2CNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000294662549 303133698 /nfs/dbraw/zinc/13/36/98/303133698.db2.gz IIOHBNGVMBZLBE-UHFFFAOYSA-N 1 0 349.435 1.285 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000294764154 303144504 /nfs/dbraw/zinc/14/45/04/303144504.db2.gz FHUIEFBOASZGNW-OCCSQVGLSA-N 1 0 348.403 1.362 20 5 EDBDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000294780256 303146480 /nfs/dbraw/zinc/14/64/80/303146480.db2.gz ZBMIRUWRHDXYSI-BXUZGUMPSA-N 1 0 347.371 1.868 20 5 EDBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000294848690 303149899 /nfs/dbraw/zinc/14/98/99/303149899.db2.gz NFDXMWWFXOMEGN-ZDUSSCGKSA-N 1 0 344.375 1.438 20 5 EDBDRO COc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000295299634 303201833 /nfs/dbraw/zinc/20/18/33/303201833.db2.gz AZBZQBYHIDDVPQ-CYBMUJFWSA-N 1 0 337.376 1.180 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000298134927 303499893 /nfs/dbraw/zinc/49/98/93/303499893.db2.gz NUZBNNSFIPOJIK-GFCCVEGCSA-N 1 0 336.392 1.607 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000299672249 303647067 /nfs/dbraw/zinc/64/70/67/303647067.db2.gz YWIMVXPJMCBJCO-AWEZNQCLSA-N 1 0 335.408 1.577 20 5 EDBDRO CCC[NH+]1CCC(Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000301124717 303662216 /nfs/dbraw/zinc/66/22/16/303662216.db2.gz UXFSNQYEFJUERR-UHFFFAOYSA-N 1 0 342.421 1.529 20 5 EDBDRO Cc1cnc(N2CCC(C[NH+]3CCN(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000301421742 303678008 /nfs/dbraw/zinc/67/80/08/303678008.db2.gz FCRNYYWJYRHXSJ-UHFFFAOYSA-N 1 0 333.436 1.762 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2cccc3cccnc32)c1 ZINC000327048859 303770302 /nfs/dbraw/zinc/77/03/02/303770302.db2.gz PCBTWSRDAZCCSQ-INIZCTEOSA-N 1 0 341.371 1.533 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000262536404 304799766 /nfs/dbraw/zinc/79/97/66/304799766.db2.gz QLOUARNTSDXFLH-VHSXEESVSA-N 1 0 345.808 1.478 20 5 EDBDRO O=C(N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423227101 304889861 /nfs/dbraw/zinc/88/98/61/304889861.db2.gz ULRGQNZXJVVPFH-PXAZEXFGSA-N 1 0 331.372 1.717 20 5 EDBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000423972045 304921692 /nfs/dbraw/zinc/92/16/92/304921692.db2.gz HPLYPGADKDFQGC-HNNXBMFYSA-N 1 0 345.403 1.905 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC(C[NH3+])CC1 ZINC000428133486 305007945 /nfs/dbraw/zinc/00/79/45/305007945.db2.gz XXJPUIOCERJETP-GFCCVEGCSA-N 1 0 338.412 1.025 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000429148394 305024589 /nfs/dbraw/zinc/02/45/89/305024589.db2.gz DFSLOJHDSMNXRJ-TZMCWYRMSA-N 1 0 348.403 1.301 20 5 EDBDRO COc1cc(CCNC(=O)C(C)(C)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000429769907 305036566 /nfs/dbraw/zinc/03/65/66/305036566.db2.gz JIBMYMKRXIVHNB-UHFFFAOYSA-N 1 0 325.365 1.256 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC([C@@H](C)[NH3+])CC1 ZINC000430933624 305069128 /nfs/dbraw/zinc/06/91/28/305069128.db2.gz LJZJGJCBWVJFJS-LLVKDONJSA-N 1 0 336.392 1.601 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431015623 305072996 /nfs/dbraw/zinc/07/29/96/305072996.db2.gz VWSMSGLBXQCRSC-UHFFFAOYSA-N 1 0 325.390 1.359 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(O)CCO[C@@H]1C ZINC000432993814 305098829 /nfs/dbraw/zinc/09/88/29/305098829.db2.gz DQSOFXLXUSBKIF-XHBSWPGZSA-N 1 0 337.376 1.441 20 5 EDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000436056333 305151633 /nfs/dbraw/zinc/15/16/33/305151633.db2.gz CTBYAZDZGZNQQU-VHSXEESVSA-N 1 0 326.784 1.869 20 5 EDBDRO CCOc1ccc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000438785897 305189175 /nfs/dbraw/zinc/18/91/75/305189175.db2.gz XEPLNZOEGOIQQN-OAHLLOKOSA-N 1 0 334.376 1.683 20 5 EDBDRO CO[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C[NH3+])C1 ZINC000440857603 305213512 /nfs/dbraw/zinc/21/35/12/305213512.db2.gz TTZKPLYKQXJGMT-VXGBXAGGSA-N 1 0 343.405 1.030 20 5 EDBDRO COCC(COC)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449541820 305313424 /nfs/dbraw/zinc/31/34/24/305313424.db2.gz KXEFCESUCHSVAZ-LLVKDONJSA-N 1 0 325.365 1.563 20 5 EDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449696034 305317282 /nfs/dbraw/zinc/31/72/82/305317282.db2.gz GVNFNMDPVYHSRN-HNNXBMFYSA-N 1 0 343.387 1.898 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1COCC1(C)C ZINC000451812266 305370628 /nfs/dbraw/zinc/37/06/28/305370628.db2.gz SNFUSRKKKUEJLQ-AWEZNQCLSA-N 1 0 337.376 1.947 20 5 EDBDRO COC(=O)[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1c1ccccc1 ZINC000452007869 305377902 /nfs/dbraw/zinc/37/79/02/305377902.db2.gz RMXCIUKEVOKFEJ-HZPDHXFCSA-N 1 0 344.371 1.680 20 5 EDBDRO COc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)c1[N+](=O)[O-] ZINC000452349255 305391512 /nfs/dbraw/zinc/39/15/12/305391512.db2.gz BIBPKMRDLMYLCQ-GFCCVEGCSA-N 1 0 337.376 1.180 20 5 EDBDRO CCc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1[N+](=O)[O-] ZINC000452357764 305392174 /nfs/dbraw/zinc/39/21/74/305392174.db2.gz FKXCSNXISVKYID-OAHLLOKOSA-N 1 0 335.404 1.734 20 5 EDBDRO CC(C)c1n[nH]c(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1[N+](=O)[O-] ZINC000452388999 305397161 /nfs/dbraw/zinc/39/71/61/305397161.db2.gz KUQHEOKFGJNHKJ-LLVKDONJSA-N 1 0 339.396 1.018 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)c1ccnn1C ZINC000459716251 305524639 /nfs/dbraw/zinc/52/46/39/305524639.db2.gz PWRHAMCZUPVEHW-FZMZJTMJSA-N 1 0 347.375 1.369 20 5 EDBDRO COCC[C@@]1([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000515123804 305715221 /nfs/dbraw/zinc/71/52/21/305715221.db2.gz AXZGZWFOARAJBM-QGZVFWFLSA-N 1 0 349.387 1.269 20 5 EDBDRO CCC[C@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000516474870 305737383 /nfs/dbraw/zinc/73/73/83/305737383.db2.gz CGOVDGACFFFYSZ-SMDDNHRTSA-N 1 0 339.392 1.929 20 5 EDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000543579030 306065097 /nfs/dbraw/zinc/06/50/97/306065097.db2.gz LZJKJUBWZYJKFE-CQSZACIVSA-N 1 0 334.420 1.879 20 5 EDBDRO CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1(C[NH3+])CCC1 ZINC000449676999 447384897 /nfs/dbraw/zinc/38/48/97/447384897.db2.gz KXOGJQAEKQMMFB-UHFFFAOYSA-N 1 0 330.348 1.129 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC[N@@H+]1C ZINC000449939797 447416712 /nfs/dbraw/zinc/41/67/12/447416712.db2.gz KDJFDNBMVPDNEY-TZMCWYRMSA-N 1 0 343.387 1.993 20 5 EDBDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415419983 447417829 /nfs/dbraw/zinc/41/78/29/447417829.db2.gz AHVNHOQJZPLLOH-SECBINFHSA-N 1 0 342.783 1.676 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000415427246 447427215 /nfs/dbraw/zinc/42/72/15/447427215.db2.gz BQUTYDYVHAKCQI-NEPJUHHUSA-N 1 0 334.376 1.428 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000415431645 447433218 /nfs/dbraw/zinc/43/32/18/447433218.db2.gz SPEYEAATRSMGRU-GFCCVEGCSA-N 1 0 336.392 1.640 20 5 EDBDRO COc1cc(OCC(=O)NC[C@@H](C2CC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000070823381 441122886 /nfs/dbraw/zinc/12/28/86/441122886.db2.gz USNKVJSZCUWYLP-AWEZNQCLSA-N 1 0 337.376 1.439 20 5 EDBDRO COC(=O)c1cc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc([N+](=O)[O-])c1 ZINC000057717969 441131338 /nfs/dbraw/zinc/13/13/38/441131338.db2.gz MRYZOBJHLFLLPE-SNVBAGLBSA-N 1 0 335.360 1.594 20 5 EDBDRO CC[NH+]1CCC(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000014096831 441171217 /nfs/dbraw/zinc/17/12/17/441171217.db2.gz WUOFGWZDELECRI-UHFFFAOYSA-N 1 0 327.406 1.666 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000103339803 441180538 /nfs/dbraw/zinc/18/05/38/441180538.db2.gz QLAFUDCUNBOEEW-ZDUSSCGKSA-N 1 0 325.413 1.582 20 5 EDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC(C[NH+]2CCOCC2)CC1 ZINC000047387206 441181128 /nfs/dbraw/zinc/18/11/28/441181128.db2.gz LITIUVUTARNDCT-UHFFFAOYSA-N 1 0 333.388 1.779 20 5 EDBDRO C[C@@H]1CCC[N@H+](CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000047405017 441183432 /nfs/dbraw/zinc/18/34/32/441183432.db2.gz SRFQBUBSGLETAM-LLVKDONJSA-N 1 0 342.421 1.386 20 5 EDBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000047146550 441159376 /nfs/dbraw/zinc/15/93/76/441159376.db2.gz YGWUFWFVNRWSQS-NSHDSACASA-N 1 0 331.376 1.933 20 5 EDBDRO CC(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000017281365 441240103 /nfs/dbraw/zinc/24/01/03/441240103.db2.gz UNAFFKPWILSWLB-UHFFFAOYSA-N 1 0 342.421 1.527 20 5 EDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000047633037 441212740 /nfs/dbraw/zinc/21/27/40/441212740.db2.gz PFVWHMUSWKCANE-MRXNPFEDSA-N 1 0 347.415 1.851 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000020950215 441267588 /nfs/dbraw/zinc/26/75/88/441267588.db2.gz PJDWLYKBFBOIKR-MRXNPFEDSA-N 1 0 335.404 1.900 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000072936505 441277368 /nfs/dbraw/zinc/27/73/68/441277368.db2.gz NCNRKWVWWYIHOM-CYBMUJFWSA-N 1 0 349.387 1.509 20 5 EDBDRO CCCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(N)=O ZINC000063500173 441334022 /nfs/dbraw/zinc/33/40/22/441334022.db2.gz UQPJSBSRDSDVID-UHFFFAOYSA-N 1 0 336.392 1.819 20 5 EDBDRO Cc1nn(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000106856634 441379393 /nfs/dbraw/zinc/37/93/93/441379393.db2.gz TXYUNVKTOHWKME-GFCCVEGCSA-N 1 0 339.396 1.965 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cnn(C)c1 ZINC000026256891 441372498 /nfs/dbraw/zinc/37/24/98/441372498.db2.gz IHXZYIMBQPKNCS-UHFFFAOYSA-N 1 0 347.375 1.798 20 5 EDBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000027970957 441420754 /nfs/dbraw/zinc/42/07/54/441420754.db2.gz VEORFGWJEKELFU-UHFFFAOYSA-N 1 0 327.406 1.700 20 5 EDBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000074327789 441423273 /nfs/dbraw/zinc/42/32/73/441423273.db2.gz MAKTYOJGJNNZFZ-CQSZACIVSA-N 1 0 335.408 1.372 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000065720100 441478090 /nfs/dbraw/zinc/47/80/90/441478090.db2.gz ZQEZHZFFHRKMMR-UHFFFAOYSA-N 1 0 345.403 1.738 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000108406223 441452976 /nfs/dbraw/zinc/45/29/76/441452976.db2.gz AAPQIFRDABVWKV-LBPRGKRZSA-N 1 0 327.406 1.523 20 5 EDBDRO O=[N+]([O-])c1ccc(OCCN2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000085857482 441453588 /nfs/dbraw/zinc/45/35/88/441453588.db2.gz OKGVXZDTVYFSOG-DLBZAZTESA-N 1 0 349.431 1.895 20 5 EDBDRO COc1cc(C(=O)NCCC[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000053887288 441546951 /nfs/dbraw/zinc/54/69/51/441546951.db2.gz KKSHCVPWLCUJOF-UHFFFAOYSA-N 1 0 347.318 1.886 20 5 EDBDRO C[NH+](C)CCN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075802018 441555738 /nfs/dbraw/zinc/55/57/38/441555738.db2.gz MVDHREZTYIOLIP-UHFFFAOYSA-N 1 0 335.408 1.742 20 5 EDBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000066811616 441571074 /nfs/dbraw/zinc/57/10/74/441571074.db2.gz QSVWKOCLAPPQGW-GASCZTMLSA-N 1 0 333.436 1.985 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000113453065 441609408 /nfs/dbraw/zinc/60/94/08/441609408.db2.gz PCCYKCJLERJXBJ-QWHCGFSZSA-N 1 0 348.403 1.123 20 5 EDBDRO COC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000090015439 441614689 /nfs/dbraw/zinc/61/46/89/441614689.db2.gz YUUMTZSJIZMPCN-LBPRGKRZSA-N 1 0 345.421 1.134 20 5 EDBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000041911764 441683730 /nfs/dbraw/zinc/68/37/30/441683730.db2.gz BFBLYTNOBZZQCF-NSHDSACASA-N 1 0 337.376 1.842 20 5 EDBDRO CC[NH+]1CCN(c2ccc(CNc3c([N+](=O)[O-])ncn3C)cn2)CC1 ZINC000076804234 441686009 /nfs/dbraw/zinc/68/60/09/441686009.db2.gz OWKJKQQZALOFEC-UHFFFAOYSA-N 1 0 345.407 1.477 20 5 EDBDRO O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056326436 441703207 /nfs/dbraw/zinc/70/32/07/441703207.db2.gz RYGXTAGWTATTDB-UHFFFAOYSA-N 1 0 344.375 1.463 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000068095861 441729505 /nfs/dbraw/zinc/72/95/05/441729505.db2.gz PKSJOOKCCPLMDK-CYBMUJFWSA-N 1 0 333.388 1.920 20 5 EDBDRO Cc1ccc(C(=O)N2CCCN(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000077457313 441786126 /nfs/dbraw/zinc/78/61/26/441786126.db2.gz BDLBXBITMGRQLZ-UHFFFAOYSA-N 1 0 334.420 1.613 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CC[C@@H](C)O ZINC000173571879 441794964 /nfs/dbraw/zinc/79/49/64/441794964.db2.gz WNKOFVJMKOVXEH-MNOVXSKESA-N 1 0 325.365 1.633 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1C ZINC000160178786 441863985 /nfs/dbraw/zinc/86/39/85/441863985.db2.gz ZZKZCVYFAALSNO-NWDGAFQWSA-N 1 0 327.406 1.712 20 5 EDBDRO C[C@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000068913562 441866955 /nfs/dbraw/zinc/86/69/55/441866955.db2.gz BITIZMVSZFOBRG-SECBINFHSA-N 1 0 328.394 1.137 20 5 EDBDRO CCc1ccc(C(=O)NCCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000174016918 441878392 /nfs/dbraw/zinc/87/83/92/441878392.db2.gz YJRWJWBHMQVYDC-UHFFFAOYSA-N 1 0 334.420 1.525 20 5 EDBDRO O=C(NCCCC[NH+]1CCOCC1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000119891387 441970783 /nfs/dbraw/zinc/97/07/83/441970783.db2.gz MAWUMUAYMYCNNW-UHFFFAOYSA-N 1 0 346.387 1.918 20 5 EDBDRO Cc1nc(N2CCC(CC[NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000450286941 447443983 /nfs/dbraw/zinc/44/39/83/447443983.db2.gz JCSQSCAPDUCSPB-UHFFFAOYSA-N 1 0 335.408 1.632 20 5 EDBDRO C[NH+](C)CC[C@@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000151022034 441992060 /nfs/dbraw/zinc/99/20/60/441992060.db2.gz XTXBZSZUGKGDKF-CYBMUJFWSA-N 1 0 340.428 1.457 20 5 EDBDRO CC[NH+]1CCN(CCCNC(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000161499644 442005276 /nfs/dbraw/zinc/00/52/76/442005276.db2.gz UEWSCRIFVMCHMM-UHFFFAOYSA-N 1 0 348.447 1.590 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000120193490 442025444 /nfs/dbraw/zinc/02/54/44/442025444.db2.gz AIFICQIMPQFYHP-CQSZACIVSA-N 1 0 349.435 1.969 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000161719892 442027379 /nfs/dbraw/zinc/02/73/79/442027379.db2.gz WFYDYELWOZJCGI-AWEZNQCLSA-N 1 0 337.424 1.584 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000175852414 442134436 /nfs/dbraw/zinc/13/44/36/442134436.db2.gz ZTFOZPGIVIUZBY-UHFFFAOYSA-N 1 0 349.387 1.540 20 5 EDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c1 ZINC000163154667 442147452 /nfs/dbraw/zinc/14/74/52/442147452.db2.gz GSWOKHKOJJAXEG-ZANVPECISA-N 1 0 325.390 1.505 20 5 EDBDRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000176213454 442192120 /nfs/dbraw/zinc/19/21/20/442192120.db2.gz UKUFGDAOFGCQME-UHFFFAOYSA-N 1 0 336.392 1.690 20 5 EDBDRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000176217463 442194296 /nfs/dbraw/zinc/19/42/96/442194296.db2.gz MFUJTVSEMOAPJT-UHFFFAOYSA-N 1 0 336.392 1.690 20 5 EDBDRO Cc1ccnc(N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000127050359 442164960 /nfs/dbraw/zinc/16/49/60/442164960.db2.gz UREZJEAHSIAIIN-HNNXBMFYSA-N 1 0 333.436 1.905 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000165392696 442209609 /nfs/dbraw/zinc/20/96/09/442209609.db2.gz GVHLDYAVPVMVTD-UHFFFAOYSA-N 1 0 347.375 1.199 20 5 EDBDRO CC1CC[NH+](CCNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000127748955 442223231 /nfs/dbraw/zinc/22/32/31/442223231.db2.gz VFRMJRZKYGLBLY-UHFFFAOYSA-N 1 0 342.421 1.386 20 5 EDBDRO CC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1C[C@@H](C)O ZINC000176936579 442275468 /nfs/dbraw/zinc/27/54/68/442275468.db2.gz YSNQABQSPJFLNV-VXGBXAGGSA-N 1 0 336.392 1.094 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CC[N@H+](C)CC23CCCCC3)c1[N+](=O)[O-] ZINC000176995773 442282257 /nfs/dbraw/zinc/28/22/57/442282257.db2.gz DEORJDIJXOWEHL-UHFFFAOYSA-N 1 0 335.408 1.727 20 5 EDBDRO Cc1ccc(C(=O)NCCN2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000177130366 442301748 /nfs/dbraw/zinc/30/17/48/442301748.db2.gz FDVHDBMYLRWQTQ-UHFFFAOYSA-N 1 0 334.420 1.659 20 5 EDBDRO CCc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000178077100 442405344 /nfs/dbraw/zinc/40/53/44/442405344.db2.gz ZELOVIRJHZMITN-AWEZNQCLSA-N 1 0 347.415 1.952 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000172207794 442424126 /nfs/dbraw/zinc/42/41/26/442424126.db2.gz XTFNMKUECUDGJG-GFCCVEGCSA-N 1 0 327.406 1.475 20 5 EDBDRO CCN(CC(N)=O)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000191703884 442492742 /nfs/dbraw/zinc/49/27/42/442492742.db2.gz GHCMSKSGNBFEHK-UHFFFAOYSA-N 1 0 347.318 1.555 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(c3ccncc3)CC2)c1 ZINC000191650939 442483642 /nfs/dbraw/zinc/48/36/42/442483642.db2.gz NQQDYZSNMGKCIQ-INIZCTEOSA-N 1 0 331.376 1.427 20 5 EDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000157059073 442546206 /nfs/dbraw/zinc/54/62/06/442546206.db2.gz ZKSRXKMDPNDBFK-CQSZACIVSA-N 1 0 331.376 1.708 20 5 EDBDRO CCCN(CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)OC(C)(C)C ZINC000186331020 442512473 /nfs/dbraw/zinc/51/24/73/442512473.db2.gz UIYYNYNPDWDRKJ-UHFFFAOYSA-N 1 0 339.392 1.810 20 5 EDBDRO CC(=O)N1CC[C@@H](C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000156738879 442515193 /nfs/dbraw/zinc/51/51/93/442515193.db2.gz BXKXPCUWLWUJRU-AWEZNQCLSA-N 1 0 348.403 1.724 20 5 EDBDRO CC[C@@H]([NH2+]CCS(=O)(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180478184 442608564 /nfs/dbraw/zinc/60/85/64/442608564.db2.gz FNTKWFAKKBGKQN-CQSZACIVSA-N 1 0 329.422 1.963 20 5 EDBDRO C[C@H]([NH2+]CC(=O)N(C)Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000180416468 442599286 /nfs/dbraw/zinc/59/92/86/442599286.db2.gz RTQOQYUFSRNRGY-LBPRGKRZSA-N 1 0 331.376 1.638 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC[N@H+](C)C1CC1 ZINC000186752946 442606499 /nfs/dbraw/zinc/60/64/99/442606499.db2.gz GITSGOCANJESTC-UHFFFAOYSA-N 1 0 336.392 1.568 20 5 EDBDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157859621 442620617 /nfs/dbraw/zinc/62/06/17/442620617.db2.gz XQEGCIAZSBLSOM-UONOGXRCSA-N 1 0 337.424 1.808 20 5 EDBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CC(C)(C)O ZINC000186937973 442633286 /nfs/dbraw/zinc/63/32/86/442633286.db2.gz XNLSASMUAATUEV-LBPRGKRZSA-N 1 0 336.392 1.904 20 5 EDBDRO C[C@H]1C[NH+](CCCNC(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000180616573 442634628 /nfs/dbraw/zinc/63/46/28/442634628.db2.gz RPLJORNATPNOAM-RYUDHWBXSA-N 1 0 336.392 1.406 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[N@@H+](C)C(C)C ZINC000181027874 442675846 /nfs/dbraw/zinc/67/58/46/442675846.db2.gz YKFVSXVIRUBGIZ-UHFFFAOYSA-N 1 0 336.392 1.607 20 5 EDBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181533190 442702465 /nfs/dbraw/zinc/70/24/65/442702465.db2.gz COHCJFRVAUBFHF-GFCCVEGCSA-N 1 0 335.360 1.880 20 5 EDBDRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000180880136 442666821 /nfs/dbraw/zinc/66/68/21/442666821.db2.gz MBNKOIFVDSLVDW-NSHDSACASA-N 1 0 345.396 1.887 20 5 EDBDRO Cn1c(=O)sc2cc(C[NH2+]CCn3cc([N+](=O)[O-])cn3)ccc21 ZINC000192629898 442670407 /nfs/dbraw/zinc/67/04/07/442670407.db2.gz KMEPUIBWZPIUEY-UHFFFAOYSA-N 1 0 333.373 1.495 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000182217775 442746494 /nfs/dbraw/zinc/74/64/94/442746494.db2.gz OJDGFSQQBSAEFW-KBPBESRZSA-N 1 0 346.387 1.937 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000183060891 442872711 /nfs/dbraw/zinc/87/27/11/442872711.db2.gz DBRCJWAMLKOBKQ-UHFFFAOYSA-N 1 0 348.403 1.186 20 5 EDBDRO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)C1 ZINC000189231339 442901745 /nfs/dbraw/zinc/90/17/45/442901745.db2.gz APGCHJRGAGNPMG-WCQYABFASA-N 1 0 331.332 1.300 20 5 EDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000189462492 442960268 /nfs/dbraw/zinc/96/02/68/442960268.db2.gz FRWXWLITXBKNGJ-CJNGLKHVSA-N 1 0 337.420 1.405 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000189465606 442961336 /nfs/dbraw/zinc/96/13/36/442961336.db2.gz PBFQFRKERFZRAZ-CYBMUJFWSA-N 1 0 337.420 1.880 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[NH+]1CCCC1 ZINC000184516392 443032772 /nfs/dbraw/zinc/03/27/72/443032772.db2.gz QJCKAYVTLLNYMR-UHFFFAOYSA-N 1 0 334.376 1.362 20 5 EDBDRO CC[C@H](C)[NH+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000296237923 318678410 /nfs/dbraw/zinc/67/84/10/318678410.db2.gz WWVQWGNDLIYBRN-AWEZNQCLSA-N 1 0 346.431 1.900 20 5 EDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000268481341 443003917 /nfs/dbraw/zinc/00/39/17/443003917.db2.gz OBOXOADRKVVIMK-AWEZNQCLSA-N 1 0 334.420 1.752 20 5 EDBDRO COc1cc(S(=O)(=O)NCC2([NH3+])CCCCC2)ccc1[N+](=O)[O-] ZINC000237228986 443165345 /nfs/dbraw/zinc/16/53/45/443165345.db2.gz XCCWDOYTVQLTNM-UHFFFAOYSA-N 1 0 343.405 1.543 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1C ZINC000261819012 443170825 /nfs/dbraw/zinc/17/08/25/443170825.db2.gz HFTMAPDANAMVCU-GXFFZTMASA-N 1 0 341.433 1.817 20 5 EDBDRO [NH3+]CCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000237849389 443184206 /nfs/dbraw/zinc/18/42/06/443184206.db2.gz GKEXEQWJYLOBSJ-UHFFFAOYSA-N 1 0 346.309 1.611 20 5 EDBDRO CC(C)C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(N)=O ZINC000185179610 443155470 /nfs/dbraw/zinc/15/54/70/443155470.db2.gz YYKQISJLQIKHQH-UHFFFAOYSA-N 1 0 340.355 1.506 20 5 EDBDRO COC(=O)[C@H](C)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000185188342 443157159 /nfs/dbraw/zinc/15/71/59/443157159.db2.gz ICQFWZSRIMSVBU-SNVBAGLBSA-N 1 0 341.339 1.803 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000269172498 443222116 /nfs/dbraw/zinc/22/21/16/443222116.db2.gz AHWBSBAKUYMIJW-MRVPVSSYSA-N 1 0 328.166 1.791 20 5 EDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000262757912 443210475 /nfs/dbraw/zinc/21/04/75/443210475.db2.gz ILJYSTXDSJHGNA-SNVBAGLBSA-N 1 0 338.389 1.419 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000382435078 319123493 /nfs/dbraw/zinc/12/34/93/319123493.db2.gz VAKPRLGZYGAZET-VHSXEESVSA-N 1 0 347.824 1.962 20 5 EDBDRO COc1cc(C(=O)NC(C)(C)C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000411101708 319165969 /nfs/dbraw/zinc/16/59/69/319165969.db2.gz RGDGNDTYGPQYIB-UHFFFAOYSA-N 1 0 325.365 1.682 20 5 EDBDRO COC(=O)[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@H+](C)C1 ZINC000413493489 319270859 /nfs/dbraw/zinc/27/08/59/319270859.db2.gz FRAHGGUIONRIDL-CYBMUJFWSA-N 1 0 344.371 1.684 20 5 EDBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1C ZINC000414074606 319315105 /nfs/dbraw/zinc/31/51/05/319315105.db2.gz NCGYKSPLIBYHLW-JTNHKYCSSA-N 1 0 327.406 1.507 20 5 EDBDRO C[NH+](C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CCSC1 ZINC000267092203 443339391 /nfs/dbraw/zinc/33/93/91/443339391.db2.gz IQEZOIFHHVRQHP-AWEZNQCLSA-N 1 0 327.381 1.901 20 5 EDBDRO COC(=O)CC[N@@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000278602625 443374474 /nfs/dbraw/zinc/37/44/74/443374474.db2.gz ZOGPKJUICFTCMJ-LLVKDONJSA-N 1 0 347.375 1.545 20 5 EDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000264612880 443347762 /nfs/dbraw/zinc/34/77/62/443347762.db2.gz ISIQQDBWXZXLKI-ZDUSSCGKSA-N 1 0 332.404 1.877 20 5 EDBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000264656708 443363807 /nfs/dbraw/zinc/36/38/07/443363807.db2.gz UOGNXPKSXRRBFD-UHFFFAOYSA-N 1 0 334.420 1.233 20 5 EDBDRO C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282538145 443368198 /nfs/dbraw/zinc/36/81/98/443368198.db2.gz RCDRSEMTURDDEZ-CQSZACIVSA-N 1 0 335.404 1.564 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000267328206 443420043 /nfs/dbraw/zinc/42/00/43/443420043.db2.gz FRKWJAJTTHZBQK-AWEZNQCLSA-N 1 0 333.388 1.698 20 5 EDBDRO CSc1ccc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000264792929 443428367 /nfs/dbraw/zinc/42/83/67/443428367.db2.gz VCDDOIZKESXBET-LBPRGKRZSA-N 1 0 338.433 1.292 20 5 EDBDRO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCO1 ZINC000278765669 443430466 /nfs/dbraw/zinc/43/04/66/443430466.db2.gz XSCZJKSJYJZHRS-GJZGRUSLSA-N 1 0 338.360 1.745 20 5 EDBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000420596495 319630147 /nfs/dbraw/zinc/63/01/47/319630147.db2.gz HCQKZKXLSCUBSM-LBPRGKRZSA-N 1 0 348.403 1.607 20 5 EDBDRO C[NH+](C)C1CCC(Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000420632802 319632053 /nfs/dbraw/zinc/63/20/53/319632053.db2.gz XQGQIPQWPYRDDG-UHFFFAOYSA-N 1 0 342.421 1.527 20 5 EDBDRO CNC(=O)[C@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000272788478 443445153 /nfs/dbraw/zinc/44/51/53/443445153.db2.gz BUDXEEUHJCWZHG-OAHLLOKOSA-N 1 0 330.344 1.403 20 5 EDBDRO O=C(NCc1ccccc1[N+](=O)[O-])c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000422969411 319743247 /nfs/dbraw/zinc/74/32/47/319743247.db2.gz UKPCGJJUKUTHOJ-GFCCVEGCSA-N 1 0 329.360 1.715 20 5 EDBDRO Cc1n[nH]c(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000271973404 443520041 /nfs/dbraw/zinc/52/00/41/443520041.db2.gz CQFYVUZETKOVCE-NSHDSACASA-N 1 0 331.376 1.877 20 5 EDBDRO C[C@@]1(CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000273024716 443522025 /nfs/dbraw/zinc/52/20/25/443522025.db2.gz QVZAYDVOPYTEDT-QGZVFWFLSA-N 1 0 348.403 1.221 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000423593904 319788713 /nfs/dbraw/zinc/78/87/13/319788713.db2.gz NKNXHPNZWOYFFL-STQMWFEESA-N 1 0 334.376 1.019 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000425538906 319848209 /nfs/dbraw/zinc/84/82/09/319848209.db2.gz JPSIGVOAHYBVIL-UHFFFAOYSA-N 1 0 334.376 1.593 20 5 EDBDRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272271941 443575546 /nfs/dbraw/zinc/57/55/46/443575546.db2.gz RZNSUXWCUIRRNP-SECBINFHSA-N 1 0 335.389 1.623 20 5 EDBDRO C[N@H+](CCO)C1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000272314666 443589168 /nfs/dbraw/zinc/58/91/68/443589168.db2.gz IRYITOUCYADYQT-UHFFFAOYSA-N 1 0 341.795 1.777 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272428107 443622813 /nfs/dbraw/zinc/62/28/13/443622813.db2.gz IVDWYSLWVQVWQI-IAQYHMDHSA-N 1 0 348.359 1.978 20 5 EDBDRO C[NH+](C)CCCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000265302959 443600389 /nfs/dbraw/zinc/60/03/89/443600389.db2.gz PSTZQNUTXUUUPF-UHFFFAOYSA-N 1 0 332.360 1.920 20 5 EDBDRO C[C@H](C[NH3+])CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000441619277 320099778 /nfs/dbraw/zinc/09/97/78/320099778.db2.gz ZTFKJGIRJDRMSJ-MRVPVSSYSA-N 1 0 330.182 1.611 20 5 EDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1C[NH2+]CCC1(F)F ZINC000449668219 320199194 /nfs/dbraw/zinc/19/91/94/320199194.db2.gz WBIQRGIEULVYQB-LBPRGKRZSA-N 1 0 329.303 1.477 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H](O)C2CCC2)cc1[N+](=O)[O-] ZINC000449742247 320203479 /nfs/dbraw/zinc/20/34/79/320203479.db2.gz YQOFSXIEQZJHGX-CQSZACIVSA-N 1 0 338.360 1.397 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000453041345 320260784 /nfs/dbraw/zinc/26/07/84/320260784.db2.gz UJWGSAFHPCIFAY-CJNGLKHVSA-N 1 0 332.404 1.949 20 5 EDBDRO CO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459758177 320349633 /nfs/dbraw/zinc/34/96/33/320349633.db2.gz LGKMCYRSYHVHFC-DAXOMENPSA-N 1 0 336.388 1.882 20 5 EDBDRO NC(=O)[C@]1(O)CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000286292630 443684390 /nfs/dbraw/zinc/68/43/90/443684390.db2.gz TXJSQKJOIHRTAF-INIZCTEOSA-N 1 0 346.343 1.062 20 5 EDBDRO C[C@@H](CO)[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000280361264 443702723 /nfs/dbraw/zinc/70/27/23/443702723.db2.gz JTBQOISOAJOBMY-ZFWWWQNUSA-N 1 0 338.404 1.817 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000518192522 320454636 /nfs/dbraw/zinc/45/46/36/320454636.db2.gz NEILCJBFSJBTIM-UHFFFAOYSA-N 1 0 349.431 1.930 20 5 EDBDRO C[NH+]1CCC([C@@H]2CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])C2)CC1 ZINC000291006559 443731214 /nfs/dbraw/zinc/73/12/14/443731214.db2.gz VUQOGBIHXUMRFV-GFCCVEGCSA-N 1 0 333.392 1.257 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000298465880 443775451 /nfs/dbraw/zinc/77/54/51/443775451.db2.gz IKKVPSNLUHPZGT-HOTGVXAUSA-N 1 0 348.403 1.328 20 5 EDBDRO CNC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000281175297 443838923 /nfs/dbraw/zinc/83/89/23/443838923.db2.gz QMKKVRPIIMHUIT-MEDUHNTESA-N 1 0 334.376 1.380 20 5 EDBDRO C[NH+]1CCN(c2ncccc2CNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000288347744 443851524 /nfs/dbraw/zinc/85/15/24/443851524.db2.gz IXXXPROKHREDGO-UHFFFAOYSA-N 1 0 342.403 1.936 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000285096840 443854943 /nfs/dbraw/zinc/85/49/43/443854943.db2.gz DTSSHKKNPFCDBG-KBPBESRZSA-N 1 0 341.314 1.418 20 5 EDBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000298759430 443860621 /nfs/dbraw/zinc/86/06/21/443860621.db2.gz ZBMZWHTYZULHCJ-LBPRGKRZSA-N 1 0 341.795 1.825 20 5 EDBDRO Cc1nn(C(C)C)cc1C[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000281293122 443871282 /nfs/dbraw/zinc/87/12/82/443871282.db2.gz IRLSRXYZIVMPCH-DLBZAZTESA-N 1 0 348.403 1.865 20 5 EDBDRO CC(C)[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000537942767 320740036 /nfs/dbraw/zinc/74/00/36/320740036.db2.gz NTAMTWBXQMXRFM-HNNXBMFYSA-N 1 0 341.433 1.897 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CCC[NH+](C)C ZINC000539417718 320751870 /nfs/dbraw/zinc/75/18/70/320751870.db2.gz UJIBIQXXYYIMEE-LBPRGKRZSA-N 1 0 340.428 1.237 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000285246320 443911154 /nfs/dbraw/zinc/91/11/54/443911154.db2.gz LOYUHNVKIXZYRF-HZTRFMAJSA-N 1 0 345.399 1.930 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000299209568 443983322 /nfs/dbraw/zinc/98/33/22/443983322.db2.gz HIBQOINTPXKGQK-DOMZBBRYSA-N 1 0 348.403 1.559 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](O)CC2)c([N+](=O)[O-])c1 ZINC000293336574 443987351 /nfs/dbraw/zinc/98/73/51/443987351.db2.gz YLLPPGMFKFSWNM-GFCCVEGCSA-N 1 0 337.376 1.779 20 5 EDBDRO C[NH+](C)CCN1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000299111683 443957779 /nfs/dbraw/zinc/95/77/79/443957779.db2.gz JRVOEDPDMTWMKW-UHFFFAOYSA-N 1 0 345.403 1.396 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](O)CC1 ZINC000293237167 443959417 /nfs/dbraw/zinc/95/94/17/443959417.db2.gz SOGCOXBEQYSUSL-CYBMUJFWSA-N 1 0 337.376 1.779 20 5 EDBDRO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCC[NH+]1CCCCC1 ZINC000299403367 444038174 /nfs/dbraw/zinc/03/81/74/444038174.db2.gz CZBZSAXOUDLATG-UHFFFAOYSA-N 1 0 342.421 1.530 20 5 EDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C[NH+](C)C ZINC000293600978 444067156 /nfs/dbraw/zinc/06/71/56/444067156.db2.gz ARJGDZPKDRTAHP-JTQLQIEISA-N 1 0 326.372 1.727 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285707454 444079715 /nfs/dbraw/zinc/07/97/15/444079715.db2.gz JDHVQYGPIDIRMZ-CVEARBPZSA-N 1 0 333.388 1.459 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(n3ccnc3)CC2)cc1 ZINC000299508323 444065853 /nfs/dbraw/zinc/06/58/53/444065853.db2.gz JFGWYZFIARTBIU-UHFFFAOYSA-N 1 0 336.373 1.817 20 5 EDBDRO C[C@@H]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000562800636 321076816 /nfs/dbraw/zinc/07/68/16/321076816.db2.gz MQIDSMUMKBYIFL-OLZOCXBDSA-N 1 0 336.392 1.600 20 5 EDBDRO C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1ccc(F)cc1 ZINC000564853417 321151445 /nfs/dbraw/zinc/15/14/45/321151445.db2.gz CDTYSHPUSCITJB-RISCZKNCSA-N 1 0 338.339 1.348 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCC3(CCCCC3)O2)c1 ZINC000564864707 321152881 /nfs/dbraw/zinc/15/28/81/321152881.db2.gz SJJOTXKTEKDJDX-LSDHHAIUSA-N 1 0 338.408 1.624 20 5 EDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c2nccn21 ZINC000565654348 321195249 /nfs/dbraw/zinc/19/52/49/321195249.db2.gz KIRQYDDIRZATDR-JHJVBQTASA-N 1 0 332.360 1.827 20 5 EDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000569095255 321318631 /nfs/dbraw/zinc/31/86/31/321318631.db2.gz OYFVEAKLHXUMRM-RULNRJAQSA-N 1 0 335.360 1.482 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000299635556 444102127 /nfs/dbraw/zinc/10/21/27/444102127.db2.gz KGSWJJJSAKDFIR-LBPRGKRZSA-N 1 0 346.387 1.608 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCc3n[nH]cc3C2)c1 ZINC000570081538 321336842 /nfs/dbraw/zinc/33/68/42/321336842.db2.gz DUKJVHHWWRTUCA-TZMCWYRMSA-N 1 0 332.360 1.205 20 5 EDBDRO CS(=O)(=O)N1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000570942466 321365583 /nfs/dbraw/zinc/36/55/83/321365583.db2.gz XGPLQGFZHXTBAR-CQSZACIVSA-N 1 0 339.417 1.596 20 5 EDBDRO COc1ccc(Cl)cc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000571364414 321384093 /nfs/dbraw/zinc/38/40/93/321384093.db2.gz VSQNDYSRRLXLFM-CYBMUJFWSA-N 1 0 340.767 1.604 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000571744497 321399475 /nfs/dbraw/zinc/39/94/75/321399475.db2.gz RAZDFFOEWDXUDU-MRXNPFEDSA-N 1 0 334.376 1.369 20 5 EDBDRO C[C@H](C[NH+]1CCCCC1)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301068765 444141937 /nfs/dbraw/zinc/14/19/37/444141937.db2.gz GBTGTVMKFAFQGZ-GFCCVEGCSA-N 1 0 331.376 1.889 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000278330092 444142473 /nfs/dbraw/zinc/14/24/73/444142473.db2.gz FUGRDFYUIYPTHN-CQSZACIVSA-N 1 0 347.415 1.849 20 5 EDBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000301076666 444142912 /nfs/dbraw/zinc/14/29/12/444142912.db2.gz PHFNZBDEAVZMRH-UHFFFAOYSA-N 1 0 328.394 1.138 20 5 EDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301583567 444180788 /nfs/dbraw/zinc/18/07/88/444180788.db2.gz QOKXOGPDLBTBQM-OLZOCXBDSA-N 1 0 343.387 1.666 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000296068873 444202417 /nfs/dbraw/zinc/20/24/17/444202417.db2.gz CNNBUGSGFWVOAT-ZDUSSCGKSA-N 1 0 336.392 1.872 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000290270654 444261432 /nfs/dbraw/zinc/26/14/32/444261432.db2.gz YKVWDQMAOKMOBY-NEPJUHHUSA-N 1 0 349.387 1.684 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000290311736 444266055 /nfs/dbraw/zinc/26/60/55/444266055.db2.gz FXKXQKVMBHOCOI-SMDDNHRTSA-N 1 0 347.371 1.453 20 5 EDBDRO [NH3+]CCc1nc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cs1 ZINC000577221411 321634480 /nfs/dbraw/zinc/63/44/80/321634480.db2.gz NLOXTZPZBUPLEO-UHFFFAOYSA-N 1 0 336.373 1.361 20 5 EDBDRO CCOc1cc(C(=O)NC2(C)CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000577841259 321686730 /nfs/dbraw/zinc/68/67/30/321686730.db2.gz DSCKRRCGRJJHJK-UHFFFAOYSA-N 1 0 337.376 1.874 20 5 EDBDRO C[C@@H]1C[C@H](Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[N@@H+]1C1CC1 ZINC000290861074 444331399 /nfs/dbraw/zinc/33/13/99/444331399.db2.gz YPBHHJGDIGQXNJ-ZJUUUORDSA-N 1 0 340.405 1.279 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000297798218 444336054 /nfs/dbraw/zinc/33/60/54/444336054.db2.gz HTPXNHPZBVUVPX-ZFWWWQNUSA-N 1 0 346.387 1.585 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[N@H+](C)CC1 ZINC000298110544 444418904 /nfs/dbraw/zinc/41/89/04/444418904.db2.gz PTJYBDQZVIPQOL-UHFFFAOYSA-N 1 0 336.392 1.570 20 5 EDBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000331196352 444439577 /nfs/dbraw/zinc/43/95/77/444439577.db2.gz SDNVJKBUOQSPOI-LSDHHAIUSA-N 1 0 341.433 1.587 20 5 EDBDRO [NH3+]C1(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC000580075857 322006579 /nfs/dbraw/zinc/00/65/79/322006579.db2.gz DCRFVUXOCKZHCH-UHFFFAOYSA-N 1 0 332.404 1.809 20 5 EDBDRO Cc1nccn1CCC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000581662130 322205004 /nfs/dbraw/zinc/20/50/04/322205004.db2.gz XLWWIGHRRFFNMO-OAHLLOKOSA-N 1 0 334.376 1.519 20 5 EDBDRO O=C(NCCNc1cc[nH+]cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000338075002 444508973 /nfs/dbraw/zinc/50/89/73/444508973.db2.gz YCHAGCVXVGAAHA-UHFFFAOYSA-N 1 0 341.371 1.828 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000340878580 444555289 /nfs/dbraw/zinc/55/52/89/444555289.db2.gz JBDANTBNJVTVPK-BXKDBHETSA-N 1 0 347.824 1.819 20 5 EDBDRO C[NH+](C)CCCOc1cnccc1CNc1ccncc1[N+](=O)[O-] ZINC000341046735 444651576 /nfs/dbraw/zinc/65/15/76/444651576.db2.gz SBVVVHKPTZBYKB-UHFFFAOYSA-N 1 0 331.376 1.749 20 5 EDBDRO NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000342416026 444683131 /nfs/dbraw/zinc/68/31/31/444683131.db2.gz IOSXYZFZBCQAHH-HNNXBMFYSA-N 1 0 331.347 1.963 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000338593509 444762743 /nfs/dbraw/zinc/76/27/43/444762743.db2.gz TYMDDTLZYHDNPT-GFCCVEGCSA-N 1 0 334.376 1.489 20 5 EDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO)C[NH+](C)C ZINC000341301200 444768509 /nfs/dbraw/zinc/76/85/09/444768509.db2.gz XXFVWXLANXGLAF-LLVKDONJSA-N 1 0 341.433 1.607 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000338722441 444820778 /nfs/dbraw/zinc/82/07/78/444820778.db2.gz BWOUKIWZKCTTAR-HZPDHXFCSA-N 1 0 346.387 1.868 20 5 EDBDRO Cn1cc(C[NH2+]C[C@@H]2COCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000338716199 444818634 /nfs/dbraw/zinc/81/86/34/444818634.db2.gz NNRKDRRVGFPCSY-OAHLLOKOSA-N 1 0 332.360 1.500 20 5 EDBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000342631627 444788150 /nfs/dbraw/zinc/78/81/50/444788150.db2.gz WADSDISVUNWYDH-CQSZACIVSA-N 1 0 346.387 1.975 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000342710246 444828328 /nfs/dbraw/zinc/82/83/28/444828328.db2.gz KYEDNZSKAGBJBZ-VHSXEESVSA-N 1 0 327.768 1.741 20 5 EDBDRO CC(C)C[C@@H](Nc1ncc([N+](=O)[O-])s1)C(=O)NCC[NH+](C)C ZINC000336991169 444890799 /nfs/dbraw/zinc/89/07/99/444890799.db2.gz XRYKYOLNVYOMFM-SNVBAGLBSA-N 1 0 329.426 1.556 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000330587295 445049676 /nfs/dbraw/zinc/04/96/76/445049676.db2.gz MEDICGJLTRDJJC-VXGBXAGGSA-N 1 0 336.392 1.566 20 5 EDBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000343149619 445098213 /nfs/dbraw/zinc/09/82/13/445098213.db2.gz HYTVQZVOUDJIFC-AAEUAGOBSA-N 1 0 329.360 1.883 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342091901 445167396 /nfs/dbraw/zinc/16/73/96/445167396.db2.gz DBDCEFSRZARAJW-NWANDNLSSA-N 1 0 332.404 1.901 20 5 EDBDRO O=C1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C2CC2)N1 ZINC000342063584 445151796 /nfs/dbraw/zinc/15/17/96/445151796.db2.gz KIYFSWKOHYMZKU-BLLLJJGKSA-N 1 0 329.360 1.618 20 5 EDBDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000342079945 445161033 /nfs/dbraw/zinc/16/10/33/445161033.db2.gz IKOSZVJMKPAXPL-GXTWGEPZSA-N 1 0 346.387 1.838 20 5 EDBDRO C[C@@H]1[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCC[N@@H+]1C ZINC000343467113 445228034 /nfs/dbraw/zinc/22/80/34/445228034.db2.gz ZGVFJIFPEFCYKP-MLGOLLRUSA-N 1 0 343.387 1.993 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000343504419 445235395 /nfs/dbraw/zinc/23/53/95/445235395.db2.gz IFEMPFZRIFTNQP-NHYWBVRUSA-N 1 0 349.387 1.984 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000354483405 445257501 /nfs/dbraw/zinc/25/75/01/445257501.db2.gz BLUYILHUZQYFMR-LBPRGKRZSA-N 1 0 348.403 1.648 20 5 EDBDRO CC(=O)N1CCC([NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000354611607 445313351 /nfs/dbraw/zinc/31/33/51/445313351.db2.gz JDTUTEMHMJYJOP-NSHDSACASA-N 1 0 334.376 1.522 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351857837 445344673 /nfs/dbraw/zinc/34/46/73/445344673.db2.gz CCISVOSTAJYJAZ-SRVKXCTJSA-N 1 0 336.392 1.600 20 5 EDBDRO C[C@@H]1C[C@H]1CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000348919329 445440562 /nfs/dbraw/zinc/44/05/62/445440562.db2.gz GBBJCYWMHCPKQH-MNOVXSKESA-N 1 0 327.406 1.419 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000360001483 445522257 /nfs/dbraw/zinc/52/22/57/445522257.db2.gz PLVKLSDEMSSWFZ-KBPBESRZSA-N 1 0 325.390 1.261 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)n1 ZINC000360212876 445632094 /nfs/dbraw/zinc/63/20/94/445632094.db2.gz LSOGPGZRGUNCLB-LBPRGKRZSA-N 1 0 335.339 1.500 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000349782780 445676960 /nfs/dbraw/zinc/67/69/60/445676960.db2.gz KNSZZZVULXPGNZ-NSHDSACASA-N 1 0 345.421 1.610 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C)c1[N+](=O)[O-] ZINC000356209607 445677112 /nfs/dbraw/zinc/67/71/12/445677112.db2.gz DDTIKKFHRODRST-KRWDZBQOSA-N 1 0 349.435 1.743 20 5 EDBDRO COC[C@@H](O)CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353618952 445679241 /nfs/dbraw/zinc/67/92/41/445679241.db2.gz HLHKHDICYJMPEG-LSDHHAIUSA-N 1 0 334.376 1.405 20 5 EDBDRO COC[C@@](C)([NH3+])CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000360646121 445720036 /nfs/dbraw/zinc/72/00/36/445720036.db2.gz KFSZOAXHLMSZLI-KRWDZBQOSA-N 1 0 346.387 2.345 20 5 EDBDRO Cc1cc(NC[C@@H](CO)[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000360275748 445671541 /nfs/dbraw/zinc/67/15/41/445671541.db2.gz SOFJMYQPCPVKTA-OLZOCXBDSA-N 1 0 331.372 1.930 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000353776034 445749792 /nfs/dbraw/zinc/74/97/92/445749792.db2.gz JUXDQGOXQXMDAS-NSHDSACASA-N 1 0 326.374 1.742 20 5 EDBDRO CN(C)c1cc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000353782226 445753206 /nfs/dbraw/zinc/75/32/06/445753206.db2.gz UHLGBCXUKHAQEQ-UHFFFAOYSA-N 1 0 336.373 1.998 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000356441350 445791181 /nfs/dbraw/zinc/79/11/81/445791181.db2.gz APOJKFZEMLODRO-UHFFFAOYSA-N 1 0 349.366 1.671 20 5 EDBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000582249274 325806725 /nfs/dbraw/zinc/80/67/25/325806725.db2.gz JRVHNHQHAZTBBD-RYUDHWBXSA-N 1 0 327.768 1.936 20 5 EDBDRO CN(c1ncc([N+](=O)[O-])c(N)n1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000361812889 445966453 /nfs/dbraw/zinc/96/64/53/445966453.db2.gz HHJYPJGSSQRXSZ-UHFFFAOYSA-N 1 0 343.391 1.463 20 5 EDBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000356797249 446028934 /nfs/dbraw/zinc/02/89/34/446028934.db2.gz YQBKTBDYSFGOQD-NSHDSACASA-N 1 0 337.376 1.825 20 5 EDBDRO C[NH+](C)CCN1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000366094835 446009360 /nfs/dbraw/zinc/00/93/60/446009360.db2.gz QXYCOJUDJMEPRU-UHFFFAOYSA-N 1 0 338.383 1.443 20 5 EDBDRO CC1(C(N)=O)C[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000583810127 326144238 /nfs/dbraw/zinc/14/42/38/326144238.db2.gz WZPCUMVDQKNICC-UHFFFAOYSA-N 1 0 330.344 1.600 20 5 EDBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000584167249 326212080 /nfs/dbraw/zinc/21/20/80/326212080.db2.gz JSRLGABVVWESOB-CQSZACIVSA-N 1 0 349.387 1.874 20 5 EDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000365295544 446131738 /nfs/dbraw/zinc/13/17/38/446131738.db2.gz LJHSGVHCPZBVNU-JSGCOSHPSA-N 1 0 325.390 1.108 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]12 ZINC000351531264 446131939 /nfs/dbraw/zinc/13/19/39/446131939.db2.gz DAQLHFJTDCZIAU-CYZMBNFOSA-N 1 0 347.371 1.104 20 5 EDBDRO CCCCOC[C@H](O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365306150 446136913 /nfs/dbraw/zinc/13/69/13/446136913.db2.gz MZCXFIQAVYAQHI-DZGCQCFKSA-N 1 0 326.397 1.606 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000366304278 446139737 /nfs/dbraw/zinc/13/97/37/446139737.db2.gz JDCVURAQPKNIDI-TZMCWYRMSA-N 1 0 339.417 1.584 20 5 EDBDRO C[C@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)CS(C)(=O)=O ZINC000373282812 446141942 /nfs/dbraw/zinc/14/19/42/446141942.db2.gz DOKSGERMXOYCMH-LLVKDONJSA-N 1 0 330.410 1.109 20 5 EDBDRO CC(C)C[N@@H+]1CCCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000366390402 446188711 /nfs/dbraw/zinc/18/87/11/446188711.db2.gz NQZZMOSZSBOQDS-UHFFFAOYSA-N 1 0 338.412 1.165 20 5 EDBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)cc1[N+](=O)[O-] ZINC000366478175 446231034 /nfs/dbraw/zinc/23/10/34/446231034.db2.gz DCOCFAJSMZHDPX-KBPBESRZSA-N 1 0 331.372 1.813 20 5 EDBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)cc1[N+](=O)[O-] ZINC000366478180 446231146 /nfs/dbraw/zinc/23/11/46/446231146.db2.gz DCOCFAJSMZHDPX-KGLIPLIRSA-N 1 0 331.372 1.813 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000370366057 446249208 /nfs/dbraw/zinc/24/92/08/446249208.db2.gz IRVFJKTXYNXQMS-ZBFHGGJFSA-N 1 0 332.404 1.873 20 5 EDBDRO C[NH+](C)CCn1nccc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000359493206 446256648 /nfs/dbraw/zinc/25/66/48/446256648.db2.gz LYZLFYZZUDLEOO-UHFFFAOYSA-N 1 0 333.348 1.370 20 5 EDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000362312275 446315337 /nfs/dbraw/zinc/31/53/37/446315337.db2.gz INZSPCDCDKFUIQ-ZDUSSCGKSA-N 1 0 337.424 1.717 20 5 EDBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000417905254 446382750 /nfs/dbraw/zinc/38/27/50/446382750.db2.gz BWTXESYXMBCAFQ-LLVKDONJSA-N 1 0 332.364 1.310 20 5 EDBDRO C[C@@H]1CN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000420245403 446429263 /nfs/dbraw/zinc/42/92/63/446429263.db2.gz ZRVODTXDOCELPC-CHWSQXEVSA-N 1 0 348.403 1.254 20 5 EDBDRO COc1ccc(NC(=O)CCN2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000420287139 446453224 /nfs/dbraw/zinc/45/32/24/446453224.db2.gz GALWNHBFQBTHQM-GFCCVEGCSA-N 1 0 336.392 1.745 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000370834532 446469216 /nfs/dbraw/zinc/46/92/16/446469216.db2.gz XVHOPHPDSXLADB-IXDOHACOSA-N 1 0 347.415 1.847 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(c3cn[nH]c3)CC2)c1 ZINC000376487217 446528596 /nfs/dbraw/zinc/52/85/96/446528596.db2.gz WICJMTSSZBWCRV-INIZCTEOSA-N 1 0 346.387 1.937 20 5 EDBDRO C[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367434327 446545731 /nfs/dbraw/zinc/54/57/31/446545731.db2.gz GPUIWUAHQDSIDB-DZGCQCFKSA-N 1 0 333.436 1.639 20 5 EDBDRO CN1CC[C@H]2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000375052782 446546918 /nfs/dbraw/zinc/54/69/18/446546918.db2.gz ZPSADYPGPLFTMA-GXSJLCMTSA-N 1 0 345.446 1.590 20 5 EDBDRO O=C(CC[N@H+]1CCC[C@](F)(CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000376559585 446575646 /nfs/dbraw/zinc/57/56/46/446575646.db2.gz XOAPGSLOSNWLOU-OAHLLOKOSA-N 1 0 325.340 1.720 20 5 EDBDRO NC(=O)c1ccc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420410580 446583645 /nfs/dbraw/zinc/58/36/45/446583645.db2.gz XZCHRWRIOARINP-UKRRQHHQSA-N 1 0 332.404 1.658 20 5 EDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420421748 446597387 /nfs/dbraw/zinc/59/73/87/446597387.db2.gz LJZNPJQSHCGQJF-YPMHNXCESA-N 1 0 327.406 1.136 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000420460657 446639510 /nfs/dbraw/zinc/63/95/10/446639510.db2.gz NGGBWWKUNBTZMC-UONOGXRCSA-N 1 0 347.396 1.629 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000420463963 446641663 /nfs/dbraw/zinc/64/16/63/446641663.db2.gz OLQQMSGCBSFZJZ-ZDUSSCGKSA-N 1 0 329.422 1.809 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[NH2+]CC2(C)C)c1C ZINC000420464463 446642184 /nfs/dbraw/zinc/64/21/84/446642184.db2.gz PCTCQGSMOSGOGP-CYBMUJFWSA-N 1 0 341.433 1.878 20 5 EDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000423719362 446658148 /nfs/dbraw/zinc/65/81/48/446658148.db2.gz FHTQSRNLUFANML-IUPBHXKESA-N 1 0 329.360 2.330 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000423723474 446660479 /nfs/dbraw/zinc/66/04/79/446660479.db2.gz GNMWPJSDLGXHMH-JTQLQIEISA-N 1 0 349.265 1.391 20 5 EDBDRO Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423828434 446717383 /nfs/dbraw/zinc/71/73/83/446717383.db2.gz QCANNFKFNYUAMD-MRXNPFEDSA-N 1 0 326.356 1.883 20 5 EDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418766179 446684412 /nfs/dbraw/zinc/68/44/12/446684412.db2.gz MOMJGIZAZXMKSF-OAHLLOKOSA-N 1 0 336.392 1.503 20 5 EDBDRO Cc1nn(C)c(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000371348765 446796222 /nfs/dbraw/zinc/79/62/22/446796222.db2.gz CTOFWEIJWFCMFS-TZMCWYRMSA-N 1 0 336.440 1.099 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1C ZINC000420758420 446796439 /nfs/dbraw/zinc/79/64/39/446796439.db2.gz COUDMRKENFAUSR-ZDUSSCGKSA-N 1 0 341.433 1.926 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000420773014 446810048 /nfs/dbraw/zinc/81/00/48/446810048.db2.gz WBSPZOHLBLSPKO-CQSZACIVSA-N 1 0 327.406 1.451 20 5 EDBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368370031 446816747 /nfs/dbraw/zinc/81/67/47/446816747.db2.gz MWHLERMUMBHJRX-CHWSQXEVSA-N 1 0 341.371 1.605 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000442295919 446888656 /nfs/dbraw/zinc/88/86/56/446888656.db2.gz SVBBVIMYPSWWMF-QWHCGFSZSA-N 1 0 348.403 1.701 20 5 EDBDRO CC[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000419154878 446972079 /nfs/dbraw/zinc/97/20/79/446972079.db2.gz AKMDEICEFGEREU-DOMZBBRYSA-N 1 0 348.403 1.278 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368637432 446997369 /nfs/dbraw/zinc/99/73/69/446997369.db2.gz YHLCPTZVGKUVAM-LLVKDONJSA-N 1 0 345.808 1.669 20 5 EDBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ncc([N+](=O)[O-])cc1F ZINC000413107129 447004752 /nfs/dbraw/zinc/00/47/52/447004752.db2.gz KFBDRVBYYYMZRM-ZDUSSCGKSA-N 1 0 339.371 1.484 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000419273944 447048692 /nfs/dbraw/zinc/04/86/92/447048692.db2.gz RAOKRUJGEOIKHN-OBJOEFQTSA-N 1 0 348.403 1.337 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CNc4ccnn4C3)CC2)cn1 ZINC000619265358 450438007 /nfs/dbraw/zinc/43/80/07/450438007.db2.gz PTVFLTBSYRCIKY-ZDUSSCGKSA-N 1 0 343.391 1.050 20 5 EDBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000455338015 447112385 /nfs/dbraw/zinc/11/23/85/447112385.db2.gz RYYVUZJGMFNKIM-CYBMUJFWSA-N 1 0 340.355 1.702 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000445892325 447204532 /nfs/dbraw/zinc/20/45/32/447204532.db2.gz AULRHDUGXDAJOO-OAHLLOKOSA-N 1 0 348.403 1.383 20 5 EDBDRO CNc1nc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000455725371 447215982 /nfs/dbraw/zinc/21/59/82/447215982.db2.gz RAMFQLURSJPXBD-GFCCVEGCSA-N 1 0 333.392 1.589 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000377603296 447237189 /nfs/dbraw/zinc/23/71/89/447237189.db2.gz QXSITMUJJKPNOH-UHFFFAOYSA-N 1 0 343.387 1.948 20 5 EDBDRO C[C@@H](C[NH3+])NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000372809057 447295191 /nfs/dbraw/zinc/29/51/91/447295191.db2.gz WKDMHUIAKMTQOT-HZUKXOBISA-N 1 0 332.404 1.589 20 5 EDBDRO O=C(CC[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000369034781 447280195 /nfs/dbraw/zinc/28/01/95/447280195.db2.gz IVNOLNBWHVNSDY-MRXNPFEDSA-N 1 0 348.359 1.498 20 5 EDBDRO C[C@H]1CN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH3+] ZINC000415468343 447460069 /nfs/dbraw/zinc/46/00/69/447460069.db2.gz VYADQSLCXJGFJZ-GZMMTYOYSA-N 1 0 340.767 1.382 20 5 EDBDRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415474497 447465809 /nfs/dbraw/zinc/46/58/09/447465809.db2.gz LLGRVWXMPMGGLQ-UHFFFAOYSA-N 1 0 342.783 1.820 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422556517 447642075 /nfs/dbraw/zinc/64/20/75/447642075.db2.gz TWGIPDIPBVAFIJ-UHFFFAOYSA-N 1 0 339.417 1.295 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(c3cc(CN4CCOCC4)ccc3[N+](=O)[O-])C[C@@H]12 ZINC000420228006 447679363 /nfs/dbraw/zinc/67/93/63/447679363.db2.gz KBDNMQVMFFSAKP-ARFHVFGLSA-N 1 0 346.431 1.601 20 5 EDBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420231451 447679997 /nfs/dbraw/zinc/67/99/97/447679997.db2.gz RTTRWNXRHGSTEK-GOSISDBHSA-N 1 0 346.431 1.617 20 5 EDBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451254578 447712866 /nfs/dbraw/zinc/71/28/66/447712866.db2.gz LRVKOBPWLVRXBF-DZGCQCFKSA-N 1 0 333.388 1.577 20 5 EDBDRO C[NH2+][C@@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000570397417 448003998 /nfs/dbraw/zinc/00/39/98/448003998.db2.gz JUHRSFAHCXWKDO-CQSZACIVSA-N 1 0 332.404 1.632 20 5 EDBDRO CSCC[C@@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000576227205 448004321 /nfs/dbraw/zinc/00/43/21/448004321.db2.gz KSGWKRKLNZRHPA-NSHDSACASA-N 1 0 327.406 1.627 20 5 EDBDRO CCN1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@H](C)C1 ZINC000552982868 447966280 /nfs/dbraw/zinc/96/62/80/447966280.db2.gz HZFNKPHOPQXGNM-LLVKDONJSA-N 1 0 335.360 1.532 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC[C@@H]2CCCCO2)cc1 ZINC000570676588 448048026 /nfs/dbraw/zinc/04/80/26/448048026.db2.gz XJAWCZPARJGOJN-AWEZNQCLSA-N 1 0 342.417 1.917 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000525726900 448017317 /nfs/dbraw/zinc/01/73/17/448017317.db2.gz XGSRHOHBCJAYIM-NSHDSACASA-N 1 0 335.360 1.880 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@]2(C)CCC[NH2+]C2)c(C)cc1[N+](=O)[O-] ZINC000576649563 448106594 /nfs/dbraw/zinc/10/65/94/448106594.db2.gz NWXNALFUJKFAAN-OAHLLOKOSA-N 1 0 341.433 1.880 20 5 EDBDRO COC[C@](C)(O)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000531712410 448131826 /nfs/dbraw/zinc/13/18/26/448131826.db2.gz GTFCFFOIZAFXSH-XHDPSFHLSA-N 1 0 325.365 1.299 20 5 EDBDRO CC(C)([NH3+])c1noc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000571762743 448201059 /nfs/dbraw/zinc/20/10/59/448201059.db2.gz KPTXOEMWIILMSZ-UHFFFAOYSA-N 1 0 335.368 1.205 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C[C@H]21 ZINC000571779799 448205477 /nfs/dbraw/zinc/20/54/77/448205477.db2.gz UTPSXUPRXKYMAX-OASPWFOLSA-N 1 0 329.360 1.807 20 5 EDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000492363718 448208545 /nfs/dbraw/zinc/20/85/45/448208545.db2.gz KVGUQUIHWBYSEP-JOZWUWCOSA-N 1 0 335.404 1.817 20 5 EDBDRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000531888012 448167276 /nfs/dbraw/zinc/16/72/76/448167276.db2.gz AIWVMCCQQLPARJ-AWEZNQCLSA-N 1 0 326.356 1.994 20 5 EDBDRO COC(=O)CCNC(=O)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000591025151 448238034 /nfs/dbraw/zinc/23/80/34/448238034.db2.gz JOQONLRVDILHPX-LBPRGKRZSA-N 1 0 337.376 1.623 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000591028972 448239749 /nfs/dbraw/zinc/23/97/49/448239749.db2.gz MMHVWMFLPKQEHV-SWLSCSKDSA-N 1 0 346.387 1.313 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000532196862 448215496 /nfs/dbraw/zinc/21/54/96/448215496.db2.gz GONWLCQMUKWCTE-NEPJUHHUSA-N 1 0 340.405 1.095 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2ccc(F)cc2F)c1 ZINC000571874629 448222478 /nfs/dbraw/zinc/22/24/78/448222478.db2.gz AYCKKLCTGBSQMG-CYBMUJFWSA-N 1 0 326.303 1.263 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000577475139 448305779 /nfs/dbraw/zinc/30/57/79/448305779.db2.gz ZOLJYRPLNRGBBF-OLZOCXBDSA-N 1 0 334.376 1.510 20 5 EDBDRO CC(C)NC(=O)c1ccc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC000591437433 448363040 /nfs/dbraw/zinc/36/30/40/448363040.db2.gz HJHOEFUTNFRNEX-JSGCOSHPSA-N 1 0 332.404 1.921 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000591447914 448365351 /nfs/dbraw/zinc/36/53/51/448365351.db2.gz CYDYTJVARBUFGL-DOMZBBRYSA-N 1 0 339.417 1.052 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000591446262 448366289 /nfs/dbraw/zinc/36/62/89/448366289.db2.gz YBAWWRSYAKRQGI-KGLIPLIRSA-N 1 0 337.424 1.842 20 5 EDBDRO Cn1ccnc1[C@@H](NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000591579997 448394933 /nfs/dbraw/zinc/39/49/33/448394933.db2.gz DQDSDLOAWPQDAZ-YDHLFZDLSA-N 1 0 333.367 1.707 20 5 EDBDRO Cn1ccnc1[C@H](NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000591579996 448395194 /nfs/dbraw/zinc/39/51/94/448395194.db2.gz DQDSDLOAWPQDAZ-KCQAQPDRSA-N 1 0 333.367 1.707 20 5 EDBDRO CC1(C)C[NH2+]CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000591678491 448448062 /nfs/dbraw/zinc/44/80/62/448448062.db2.gz VHKNRQIYZBEPBO-UHFFFAOYSA-N 1 0 329.360 1.605 20 5 EDBDRO CN(CCC[NH3+])C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000591679407 448448173 /nfs/dbraw/zinc/44/81/73/448448173.db2.gz TWKGWTJCPYVKOR-JTQLQIEISA-N 1 0 340.405 1.068 20 5 EDBDRO Cc1cc(C(=O)N2CCC[C@H]2C(=O)N(C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000591679775 448449725 /nfs/dbraw/zinc/44/97/25/448449725.db2.gz XKKHKJAPYBYQCM-HNNXBMFYSA-N 1 0 348.403 1.315 20 5 EDBDRO CCOc1cc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)c([N+](=O)[O-])cc1OC ZINC000591685816 448450151 /nfs/dbraw/zinc/45/01/51/448450151.db2.gz RCFICXKIXNRFNK-OAHLLOKOSA-N 1 0 349.387 1.874 20 5 EDBDRO CNc1nccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000583943544 448466443 /nfs/dbraw/zinc/46/64/43/448466443.db2.gz MWSKBZIKPYKSDW-VXGBXAGGSA-N 1 0 335.408 2.024 20 5 EDBDRO CN(C)[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000516843357 448479589 /nfs/dbraw/zinc/47/95/89/448479589.db2.gz UMOXSOMVHRAZSZ-QWHCGFSZSA-N 1 0 339.421 1.106 20 5 EDBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000591756715 448482497 /nfs/dbraw/zinc/48/24/97/448482497.db2.gz TZDYQMDXUAFLGT-DOMZBBRYSA-N 1 0 336.392 1.232 20 5 EDBDRO CCN1CCO[C@H](C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000516898985 448490159 /nfs/dbraw/zinc/49/01/59/448490159.db2.gz RCNIZONDIFIUMB-INIZCTEOSA-N 1 0 346.387 1.456 20 5 EDBDRO C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCC2CC[NH2+]CC2)C1=O ZINC000517732160 448609574 /nfs/dbraw/zinc/60/95/74/448609574.db2.gz KPVGNUZSRUAECL-QGZVFWFLSA-N 1 0 346.387 1.752 20 5 EDBDRO C[NH+]1CCC2(CC1)CN(C(=O)NCc1cccc([N+](=O)[O-])c1)CCO2 ZINC000591934363 448589125 /nfs/dbraw/zinc/58/91/25/448589125.db2.gz WUFPXRKHUXUNTC-UHFFFAOYSA-N 1 0 348.403 1.601 20 5 EDBDRO CNc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000566955958 448590763 /nfs/dbraw/zinc/59/07/63/448590763.db2.gz PFDZCWBEICSPBJ-CYBMUJFWSA-N 1 0 336.392 1.213 20 5 EDBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592375911 448811485 /nfs/dbraw/zinc/81/14/85/448811485.db2.gz PAZQSMMPXQHJPF-NWDGAFQWSA-N 1 0 340.405 1.143 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NC[C@H]2CCCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000592292775 448776565 /nfs/dbraw/zinc/77/65/65/448776565.db2.gz JRUHSUVUUTYHGA-CYBMUJFWSA-N 1 0 335.360 1.643 20 5 EDBDRO CS(=O)(=O)N1CC[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000519551703 448785522 /nfs/dbraw/zinc/78/55/22/448785522.db2.gz VFLMMFSAAQINIK-DIECRNLCSA-N 1 0 325.390 1.232 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000592310779 448786779 /nfs/dbraw/zinc/78/67/79/448786779.db2.gz YPOPYUMLHDCITR-XPTSAGLGSA-N 1 0 346.343 1.037 20 5 EDBDRO CS[C@@H](CO)[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000574083657 448788096 /nfs/dbraw/zinc/78/80/96/448788096.db2.gz GGQRMNXFAIBWMO-GWCFXTLKSA-N 1 0 327.406 1.625 20 5 EDBDRO C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000519740096 448830773 /nfs/dbraw/zinc/83/07/73/448830773.db2.gz OLTCWWLZWRQWJA-WMLDXEAASA-N 1 0 349.431 1.907 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1ccc(CO)cc1 ZINC000592430390 448832675 /nfs/dbraw/zinc/83/26/75/448832675.db2.gz KZXLKQBIJVMACA-INIZCTEOSA-N 1 0 346.383 1.659 20 5 EDBDRO O=C(NCC[NH2+]C1CC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592467988 448849333 /nfs/dbraw/zinc/84/93/33/448849333.db2.gz LYIDZIHMRVXFKL-UHFFFAOYSA-N 1 0 332.404 1.679 20 5 EDBDRO CC(C)[NH2+]CCCNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000592467933 448849776 /nfs/dbraw/zinc/84/97/76/448849776.db2.gz COMIYKXILLMCOB-GFCCVEGCSA-N 1 0 336.392 1.217 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592476978 448853282 /nfs/dbraw/zinc/85/32/82/448853282.db2.gz KVWRHRWAGDLCCQ-GXFFZTMASA-N 1 0 325.390 1.262 20 5 EDBDRO Cn1c2cc([N+](=O)[O-])c(N3CCC[C@@H]([NH+](C)C)CC3)cc2n(C)c1=O ZINC000588033839 448860727 /nfs/dbraw/zinc/86/07/27/448860727.db2.gz VSROBONJVVBXSO-GFCCVEGCSA-N 1 0 347.419 1.706 20 5 EDBDRO [NH3+]C1CCC(OCC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CC1 ZINC000592562211 448901437 /nfs/dbraw/zinc/90/14/37/448901437.db2.gz KBUQHJDWSQHORS-UHFFFAOYSA-N 1 0 334.376 1.161 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCOc3ccc(F)cc32)c1 ZINC000568620891 448896103 /nfs/dbraw/zinc/89/61/03/448896103.db2.gz QPKFRVCAOFRFCK-JSGCOSHPSA-N 1 0 336.323 1.405 20 5 EDBDRO NC(=O)C[C@@H]1CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000588977226 448956390 /nfs/dbraw/zinc/95/63/90/448956390.db2.gz KAHXJOVXWPOOBI-NSHDSACASA-N 1 0 348.359 1.090 20 5 EDBDRO C[N@@H+]1CC[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000581149076 448968655 /nfs/dbraw/zinc/96/86/55/448968655.db2.gz SWDZQFSHPBLRCK-ZIAGYGMSSA-N 1 0 341.371 1.747 20 5 EDBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1ccco1 ZINC000548059200 448977429 /nfs/dbraw/zinc/97/74/29/448977429.db2.gz OLENCNAXNJPZJQ-GFCCVEGCSA-N 1 0 347.375 1.978 20 5 EDBDRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000589161399 448979517 /nfs/dbraw/zinc/97/95/17/448979517.db2.gz YDKSEBJFWJXZKB-ZFWWWQNUSA-N 1 0 341.433 1.445 20 5 EDBDRO CC(C)c1ccc(C(=O)N[C@H](CO)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000588869429 448942942 /nfs/dbraw/zinc/94/29/42/448942942.db2.gz PFXDISFSMSKXBR-AWEZNQCLSA-N 1 0 335.404 1.905 20 5 EDBDRO CCNC(=O)C1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1 ZINC000521614419 449000800 /nfs/dbraw/zinc/00/08/00/449000800.db2.gz NLSSWFBEVSYSDK-UHFFFAOYSA-N 1 0 348.403 1.819 20 5 EDBDRO C[NH+]1CCC2(CC1)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000592898891 449042659 /nfs/dbraw/zinc/04/26/59/449042659.db2.gz MTWBQUWKQLXFTP-UHFFFAOYSA-N 1 0 333.388 1.461 20 5 EDBDRO C[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCc2ccccc21 ZINC000593096429 449132916 /nfs/dbraw/zinc/13/29/16/449132916.db2.gz SIFKBYAMOGCWQH-XJKSGUPXSA-N 1 0 330.388 1.814 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000590334735 449133268 /nfs/dbraw/zinc/13/32/68/449133268.db2.gz ONQSJYNRBCBARO-GDBMZVCRSA-N 1 0 343.387 1.993 20 5 EDBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593594943 449097247 /nfs/dbraw/zinc/09/72/47/449097247.db2.gz IGMCFFAQBDSFDF-NSHDSACASA-N 1 0 328.394 1.143 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000592998691 449097511 /nfs/dbraw/zinc/09/75/11/449097511.db2.gz DRTVJBXPMOAAFR-GFCCVEGCSA-N 1 0 338.433 1.508 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599917946 449108307 /nfs/dbraw/zinc/10/83/07/449108307.db2.gz LMFCSEMVEZVQHF-CYBMUJFWSA-N 1 0 344.375 1.555 20 5 EDBDRO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599938490 449117070 /nfs/dbraw/zinc/11/70/70/449117070.db2.gz CAIHGXSLXYTWNH-LUKYLMHMSA-N 1 0 345.399 1.366 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590443031 449164475 /nfs/dbraw/zinc/16/44/75/449164475.db2.gz JMJKCTABIYPGRU-RHSMWYFYSA-N 1 0 344.415 1.971 20 5 EDBDRO CC[N@@H+]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1C ZINC000611092401 449166830 /nfs/dbraw/zinc/16/68/30/449166830.db2.gz SKRSECFZUIVKOC-BBRMVZONSA-N 1 0 332.404 1.726 20 5 EDBDRO COc1cc(C(=O)N[C@H](CO)C[NH+]2CCCC2)cc([N+](=O)[O-])c1C ZINC000590372270 449138896 /nfs/dbraw/zinc/13/88/96/449138896.db2.gz ZXVHLKVUOHUXDJ-ZDUSSCGKSA-N 1 0 337.376 1.098 20 5 EDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590402278 449148547 /nfs/dbraw/zinc/14/85/47/449148547.db2.gz BZPMUXVWRVEULK-WBMJQRKESA-N 1 0 343.387 1.945 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000590588712 449203837 /nfs/dbraw/zinc/20/38/37/449203837.db2.gz JCXCVQRJFFGHQL-AAEUAGOBSA-N 1 0 327.406 1.616 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000590589020 449205560 /nfs/dbraw/zinc/20/55/60/449205560.db2.gz LACINPXXVFORTN-WCQYABFASA-N 1 0 327.406 1.616 20 5 EDBDRO C[C@H](CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000597999932 449185705 /nfs/dbraw/zinc/18/57/05/449185705.db2.gz SZVNBCREGQLQIJ-LLVKDONJSA-N 1 0 332.364 1.246 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000604489620 449239548 /nfs/dbraw/zinc/23/95/48/449239548.db2.gz RAXURTIMSJGRNO-QGZVFWFLSA-N 1 0 347.415 1.851 20 5 EDBDRO CC(C)OC(=O)C[C@H](NC(=O)CC1([NH3+])CC1)c1ccccc1[N+](=O)[O-] ZINC000595923473 449255192 /nfs/dbraw/zinc/25/51/92/449255192.db2.gz WQBZHKPEHWCSJZ-ZDUSSCGKSA-N 1 0 349.387 1.975 20 5 EDBDRO COC(=O)c1cc(C(=O)N(C)CC[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000593882391 449259820 /nfs/dbraw/zinc/25/98/20/449259820.db2.gz FBIIYUFBKBLNTB-UHFFFAOYSA-N 1 0 349.387 1.939 20 5 EDBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000598195717 449291176 /nfs/dbraw/zinc/29/11/76/449291176.db2.gz QVSRIKXZKQZJIX-CQSZACIVSA-N 1 0 343.387 1.707 20 5 EDBDRO C[NH2+]C[C@H](C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000595982329 449297055 /nfs/dbraw/zinc/29/70/55/449297055.db2.gz IIKLOZZOSOBSIL-QMMMGPOBSA-N 1 0 335.282 1.874 20 5 EDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](N3CCOCC3)C2)c1 ZINC000593996464 449316589 /nfs/dbraw/zinc/31/65/89/449316589.db2.gz ODWTUGJYISCQKN-INIZCTEOSA-N 1 0 335.404 1.770 20 5 EDBDRO O=C([C@H]1CCC[NH2+]CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000593905658 449275626 /nfs/dbraw/zinc/27/56/26/449275626.db2.gz KGZPPGREEPVKEU-AWEZNQCLSA-N 1 0 332.404 1.633 20 5 EDBDRO COc1ccc(NC(=O)c2cnnn2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000595950169 449275998 /nfs/dbraw/zinc/27/59/98/449275998.db2.gz BNWNZGGPCIOCNY-UHFFFAOYSA-N 1 0 346.347 1.372 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCN2Cc2ccccc2)c1 ZINC000596067893 449345589 /nfs/dbraw/zinc/34/55/89/449345589.db2.gz RKZIXZCDQHOSFO-WBVHZDCISA-N 1 0 345.403 1.016 20 5 EDBDRO CC[C@H](C[NH+]1CCCC1)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596131867 449379315 /nfs/dbraw/zinc/37/93/15/449379315.db2.gz DXNZVSMCCFNXEU-LLVKDONJSA-N 1 0 342.421 1.529 20 5 EDBDRO COCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596104789 449363192 /nfs/dbraw/zinc/36/31/92/449363192.db2.gz NJPYZRHNORTNLK-UHFFFAOYSA-N 1 0 336.392 1.607 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000598455038 449404428 /nfs/dbraw/zinc/40/44/28/449404428.db2.gz ZHQHVQXPAYFROS-HNNXBMFYSA-N 1 0 349.387 1.031 20 5 EDBDRO COC(=O)c1c(Cl)c(NC[C@]2(O)CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000596196125 449407484 /nfs/dbraw/zinc/40/74/84/449407484.db2.gz IUIHOSNMLZESNN-CQSZACIVSA-N 1 0 343.767 1.513 20 5 EDBDRO C[NH+](C)C1CCN(CCNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611706675 449389341 /nfs/dbraw/zinc/38/93/41/449389341.db2.gz GTROBGJQFNXOOI-UHFFFAOYSA-N 1 0 344.419 1.976 20 5 EDBDRO C[NH+](C)[C@@]1(CNc2ncnc3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000611706890 449389590 /nfs/dbraw/zinc/38/95/90/449389590.db2.gz HMWHECOJPMAKCX-OAHLLOKOSA-N 1 0 333.417 2.387 20 5 EDBDRO NC(=O)c1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000596167832 449393955 /nfs/dbraw/zinc/39/39/55/449393955.db2.gz NPXLMXOOJVRERT-ZDUSSCGKSA-N 1 0 334.376 1.359 20 5 EDBDRO CCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598562477 449467744 /nfs/dbraw/zinc/46/77/44/449467744.db2.gz UPZKMKCPIIZMOG-LBPRGKRZSA-N 1 0 335.408 1.732 20 5 EDBDRO CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC[NH2+]1 ZINC000598573033 449471671 /nfs/dbraw/zinc/47/16/71/449471671.db2.gz OAHUZZTWTSFEBQ-CQSZACIVSA-N 1 0 343.387 1.851 20 5 EDBDRO O=[N+]([O-])c1cnc(NCC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000596315559 449472539 /nfs/dbraw/zinc/47/25/39/449472539.db2.gz XWYDUTXBTVCRIX-UHFFFAOYSA-N 1 0 326.422 2.354 20 5 EDBDRO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000596361851 449483095 /nfs/dbraw/zinc/48/30/95/449483095.db2.gz CSZHZMDOUDEOQH-LBPRGKRZSA-N 1 0 337.424 1.378 20 5 EDBDRO Cc1ccc(NCCCNC(=O)N(C)CC2C[NH+](C)C2)c([N+](=O)[O-])c1 ZINC000596367442 449484493 /nfs/dbraw/zinc/48/44/93/449484493.db2.gz IGWTYAQXZSLSNG-UHFFFAOYSA-N 1 0 349.435 1.908 20 5 EDBDRO C[C@H]1C[C@@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000598599431 449484666 /nfs/dbraw/zinc/48/46/66/449484666.db2.gz OBWNYFSRTNKGQQ-RYUDHWBXSA-N 1 0 336.396 1.116 20 5 EDBDRO Cc1cnccc1CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598605539 449488070 /nfs/dbraw/zinc/48/80/70/449488070.db2.gz BHDIVHLNASGNKV-UHFFFAOYSA-N 1 0 344.375 1.579 20 5 EDBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393402 449489746 /nfs/dbraw/zinc/48/97/46/449489746.db2.gz MFYSIQKTGBVLDQ-QWHCGFSZSA-N 1 0 347.396 1.701 20 5 EDBDRO C[C@@H]1[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000600756769 449536345 /nfs/dbraw/zinc/53/63/45/449536345.db2.gz PIANJLVWSMLTOO-GHMZBOCLSA-N 1 0 341.389 1.089 20 5 EDBDRO C[NH2+]CC(=O)Nc1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cn1 ZINC000600791753 449547905 /nfs/dbraw/zinc/54/79/05/449547905.db2.gz GTNHEWLQKIXBQF-UHFFFAOYSA-N 1 0 330.344 1.350 20 5 EDBDRO CN(CCC[NH+](C)C)CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000596426023 449497287 /nfs/dbraw/zinc/49/72/87/449497287.db2.gz ZPJSVJNXCHLVFK-UHFFFAOYSA-N 1 0 331.420 2.438 20 5 EDBDRO CCC[N@@H+]1CC[C@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598634064 449508832 /nfs/dbraw/zinc/50/88/32/449508832.db2.gz LNFVQIQPLIJXEG-LBPRGKRZSA-N 1 0 336.396 1.118 20 5 EDBDRO CN(C)C(=O)CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000596461656 449514266 /nfs/dbraw/zinc/51/42/66/449514266.db2.gz HMZBBZAKTIAUEE-UHFFFAOYSA-N 1 0 345.403 1.599 20 5 EDBDRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000598724659 449565063 /nfs/dbraw/zinc/56/50/63/449565063.db2.gz LHUZYJUKULLOJV-RNCFNFMXSA-N 1 0 345.808 1.750 20 5 EDBDRO O=C(NCC[NH2+]C1CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000602427707 449578232 /nfs/dbraw/zinc/57/82/32/449578232.db2.gz IZBBYNTYZSWEIA-UHFFFAOYSA-N 1 0 328.166 1.839 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598714937 449558578 /nfs/dbraw/zinc/55/85/78/449558578.db2.gz KXMUXHRJQJTGQO-RYUDHWBXSA-N 1 0 345.396 1.532 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)C2(C[NH3+])CCC2)c(C)c1[N+](=O)[O-] ZINC000598716161 449559551 /nfs/dbraw/zinc/55/95/51/449559551.db2.gz YPKCJSXSRWFSQS-UHFFFAOYSA-N 1 0 327.406 1.714 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598721096 449562810 /nfs/dbraw/zinc/56/28/10/449562810.db2.gz SAQUBGBBCQOASR-GHMZBOCLSA-N 1 0 331.369 1.271 20 5 EDBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000598778979 449597174 /nfs/dbraw/zinc/59/71/74/449597174.db2.gz CTYCTASBUXSHFU-LBPRGKRZSA-N 1 0 334.376 1.547 20 5 EDBDRO CC(C)[C@H]1C[NH2+]CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000600951512 449612338 /nfs/dbraw/zinc/61/23/38/449612338.db2.gz RECUXCVYZABDAU-CQSZACIVSA-N 1 0 327.406 1.433 20 5 EDBDRO COc1cc(OCC(=O)N2CC[NH2+]C[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000602529576 449652763 /nfs/dbraw/zinc/65/27/63/449652763.db2.gz QGJWNTWAVPQEQS-CQSZACIVSA-N 1 0 337.376 1.439 20 5 EDBDRO CN(CC[NH+](C)C)S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594761023 449675339 /nfs/dbraw/zinc/67/53/39/449675339.db2.gz OLMVCVLMAPBTRW-UHFFFAOYSA-N 1 0 338.389 1.325 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ncccc3[N+](=O)[O-])CC[C@H]21 ZINC000594765586 449678912 /nfs/dbraw/zinc/67/89/12/449678912.db2.gz XBEYXFHDEAGBQL-VXGBXAGGSA-N 1 0 340.405 1.095 20 5 EDBDRO C[C@@H]1C[NH+](CCCNC(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000600981418 449631261 /nfs/dbraw/zinc/63/12/61/449631261.db2.gz KOVJOMVXQMIHQB-VXGBXAGGSA-N 1 0 339.367 1.963 20 5 EDBDRO Cc1ccc(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)cc1[N+](=O)[O-] ZINC000598991206 449684343 /nfs/dbraw/zinc/68/43/43/449684343.db2.gz WENOFQQDPGGOMX-SFHVURJKSA-N 1 0 349.431 1.609 20 5 EDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598904060 449640287 /nfs/dbraw/zinc/64/02/87/449640287.db2.gz VJJXQVIMNMAIMC-RISCZKNCSA-N 1 0 349.391 1.267 20 5 EDBDRO COC(=O)CCN1CC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000594715144 449643944 /nfs/dbraw/zinc/64/39/44/449643944.db2.gz OWARBCJBFDJSKE-SMDDNHRTSA-N 1 0 335.360 1.409 20 5 EDBDRO CCn1nncc1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000599063125 449714797 /nfs/dbraw/zinc/71/47/97/449714797.db2.gz WPGUVTPAHMZJJQ-OAHLLOKOSA-N 1 0 341.375 1.819 20 5 EDBDRO CCOCCOC[C@@H](O)CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599078602 449719831 /nfs/dbraw/zinc/71/98/31/449719831.db2.gz IYBDPSIGYWXWER-ZDUSSCGKSA-N 1 0 335.360 1.969 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@H](C)[NH+](C)C ZINC000594816287 449724967 /nfs/dbraw/zinc/72/49/67/449724967.db2.gz GNERNTWFOOISEP-JTQLQIEISA-N 1 0 331.394 1.222 20 5 EDBDRO COC(=O)c1ccnc(NC2CC(N3CCOCC3)C2)c1[N+](=O)[O-] ZINC000599095010 449728890 /nfs/dbraw/zinc/72/88/90/449728890.db2.gz OITOUMDAEXGLHV-UHFFFAOYSA-N 1 0 336.348 1.052 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)cc1C ZINC000599106457 449739125 /nfs/dbraw/zinc/73/91/25/449739125.db2.gz ISJTVUQXPPTNQJ-AWEZNQCLSA-N 1 0 339.417 1.775 20 5 EDBDRO Cc1nc(NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)ccc1[N+](=O)[O-] ZINC000601177255 449734783 /nfs/dbraw/zinc/73/47/83/449734783.db2.gz RZUZJQSKWLDLQZ-CQSZACIVSA-N 1 0 333.392 1.405 20 5 EDBDRO CN1CC[C@@H]([NH+]2CCC(Nc3c(F)cccc3[N+](=O)[O-])CC2)C1=O ZINC000601178488 449735699 /nfs/dbraw/zinc/73/56/99/449735699.db2.gz SHFSGXHPMDSEMF-CQSZACIVSA-N 1 0 336.367 1.841 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000599104826 449736851 /nfs/dbraw/zinc/73/68/51/449736851.db2.gz OIRLYJFGWJVKHU-UWVGGRQHSA-N 1 0 329.378 1.022 20 5 EDBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602591210 449690592 /nfs/dbraw/zinc/69/05/92/449690592.db2.gz LZPDYPYRMPHXKH-AOOOYVTPSA-N 1 0 340.177 1.934 20 5 EDBDRO COc1cc(C[NH2+]C[C@@H]2COCCN2C)c([N+](=O)[O-])cc1OC ZINC000599002883 449691095 /nfs/dbraw/zinc/69/10/95/449691095.db2.gz DIWLWQDDLNURHB-GFCCVEGCSA-N 1 0 325.365 1.032 20 5 EDBDRO C[NH+](C)C[C@]1(O)CCCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000601188394 449740726 /nfs/dbraw/zinc/74/07/26/449740726.db2.gz GBLNMDFESABYHV-QGZVFWFLSA-N 1 0 334.420 1.762 20 5 EDBDRO C[N@H+](CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)C1CC1 ZINC000599157000 449768433 /nfs/dbraw/zinc/76/84/33/449768433.db2.gz PWPVKZLUYQXLGO-UHFFFAOYSA-N 1 0 347.350 1.744 20 5 EDBDRO C[C@@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594862681 449774708 /nfs/dbraw/zinc/77/47/08/449774708.db2.gz PBIJTCAYOZZGQF-LBPRGKRZSA-N 1 0 342.421 1.389 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000602783425 449806428 /nfs/dbraw/zinc/80/64/28/449806428.db2.gz LSWVPAWTJBGCQG-HNNXBMFYSA-N 1 0 337.424 1.286 20 5 EDBDRO CCC[C@@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000602796610 449817266 /nfs/dbraw/zinc/81/72/66/449817266.db2.gz DHJCVQWWZWGCCD-OAHLLOKOSA-N 1 0 339.440 1.532 20 5 EDBDRO COC[C@@H](CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)OC ZINC000594956161 449819869 /nfs/dbraw/zinc/81/98/69/449819869.db2.gz VGPXIUKGOZQJNU-GFCCVEGCSA-N 1 0 326.349 1.507 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000602772189 449795156 /nfs/dbraw/zinc/79/51/56/449795156.db2.gz PQKATJYUONVYNV-UHFFFAOYSA-N 1 0 345.407 1.517 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000601335432 449844669 /nfs/dbraw/zinc/84/46/69/449844669.db2.gz LUSCLHYUXPPYET-SNVBAGLBSA-N 1 0 345.396 1.803 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)ccc1[N+](=O)[O-] ZINC000601351689 449864856 /nfs/dbraw/zinc/86/48/56/449864856.db2.gz MCHGIRGOFCGWTK-IUODEOHRSA-N 1 0 339.417 1.666 20 5 EDBDRO CC[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000601358701 449871645 /nfs/dbraw/zinc/87/16/45/449871645.db2.gz MMMKBJIJHWYQKD-PWSUYJOCSA-N 1 0 345.396 1.661 20 5 EDBDRO COc1cc(CN2CCC[C@@](O)(C[NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000602876976 449885686 /nfs/dbraw/zinc/88/56/86/449885686.db2.gz IXHYADHYADFYAE-MRXNPFEDSA-N 1 0 341.383 1.631 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602933068 449934059 /nfs/dbraw/zinc/93/40/59/449934059.db2.gz CBUABFYKHBRPJZ-LQAWEQHXSA-N 1 0 331.372 1.949 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCN(c2nnc(C)n2C)CC1 ZINC000602941308 449943767 /nfs/dbraw/zinc/94/37/67/449943767.db2.gz JHKMKWXIFMJQPO-UHFFFAOYSA-N 1 0 346.391 1.363 20 5 EDBDRO [NH3+][C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1c1ccccc1 ZINC000595222137 449956220 /nfs/dbraw/zinc/95/62/20/449956220.db2.gz RYRWNYVLYHLEBY-HUUCEWRRSA-N 1 0 329.360 1.135 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC2=CC[N@H+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000601387316 449903185 /nfs/dbraw/zinc/90/31/85/449903185.db2.gz UNMNNQFSUNONRZ-UHFFFAOYSA-N 1 0 343.380 1.583 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCO[C@@H](Cn2ccnn2)C1 ZINC000602907238 449912005 /nfs/dbraw/zinc/91/20/05/449912005.db2.gz LMIWSBQSBFUJEA-DZGCQCFKSA-N 1 0 331.376 1.957 20 5 EDBDRO C[C@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000609188196 449975423 /nfs/dbraw/zinc/97/54/23/449975423.db2.gz VSCWXMCEVDBFJT-GFCCVEGCSA-N 1 0 344.375 1.390 20 5 EDBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[C@H]1F ZINC000595260925 449982453 /nfs/dbraw/zinc/98/24/53/449982453.db2.gz NMFVQZMUSANTTM-GHMZBOCLSA-N 1 0 346.156 1.869 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000595269325 449989314 /nfs/dbraw/zinc/98/93/14/449989314.db2.gz NRZZNRIQKLQJTA-HUUCEWRRSA-N 1 0 346.362 1.948 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NCC12CC(C1)C[NH2+]2 ZINC000595273811 449993277 /nfs/dbraw/zinc/99/32/77/449993277.db2.gz KMEAFUODGSKBQR-UHFFFAOYSA-N 1 0 330.348 1.022 20 5 EDBDRO C[NH+](C)CC1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000609623999 450072865 /nfs/dbraw/zinc/07/28/65/450072865.db2.gz QTEITOHGUCDFBF-UHFFFAOYSA-N 1 0 335.360 1.737 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000603084896 450056984 /nfs/dbraw/zinc/05/69/84/450056984.db2.gz YDBYXLBIUMNWJL-UHFFFAOYSA-N 1 0 344.375 1.234 20 5 EDBDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000613390135 450160655 /nfs/dbraw/zinc/16/06/55/450160655.db2.gz XTLBJHHKCXZGDB-XJKSGUPXSA-N 1 0 331.372 1.511 20 5 EDBDRO C[C@@H]1CN(CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C[C@H](C)O1 ZINC000595481076 450173116 /nfs/dbraw/zinc/17/31/16/450173116.db2.gz NVNBXJAZDKPONG-OKILXGFUSA-N 1 0 337.424 1.537 20 5 EDBDRO COC(=O)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]2CCC[C@@H]21 ZINC000599654063 450131508 /nfs/dbraw/zinc/13/15/08/450131508.db2.gz LEPPHBDHYFIQNV-RBSFLKMASA-N 1 0 349.387 1.420 20 5 EDBDRO CN(CC(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000597714262 450216397 /nfs/dbraw/zinc/21/63/97/450216397.db2.gz HJXQHOPTHMQBGV-GOSISDBHSA-N 1 0 346.431 1.975 20 5 EDBDRO CCCOc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000610336072 450195079 /nfs/dbraw/zinc/19/50/79/450195079.db2.gz HWMJFXGLYBHOPT-OAHLLOKOSA-N 1 0 334.376 1.731 20 5 EDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCN1CCCS1(=O)=O ZINC000610615067 450273759 /nfs/dbraw/zinc/27/37/59/450273759.db2.gz NHGHIPLEEYQSTK-GFCCVEGCSA-N 1 0 327.406 1.623 20 5 EDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603909535 450376314 /nfs/dbraw/zinc/37/63/14/450376314.db2.gz CDPBTVZJVQAALG-GARJFASQSA-N 1 0 338.795 1.726 20 5 EDBDRO C[C@H](NC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000171498000 533772055 /nfs/dbraw/zinc/77/20/55/533772055.db2.gz LXBHRRRPZPQFOO-NSHDSACASA-N 1 0 344.375 1.602 20 5 EDBDRO CCOC(=O)CC1([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000434613096 517677031 /nfs/dbraw/zinc/67/70/31/517677031.db2.gz ZWEOCUCRYDHTOM-ZDUSSCGKSA-N 1 0 340.380 1.008 20 5 EDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000183550313 534422957 /nfs/dbraw/zinc/42/29/57/534422957.db2.gz RJPGHWNFEHEKDE-GFCCVEGCSA-N 1 0 335.364 1.176 20 5 EDBDRO [NH3+]C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000178554963 534692083 /nfs/dbraw/zinc/69/20/83/534692083.db2.gz JDPMTGROGIVIHH-MRVPVSSYSA-N 1 0 328.166 1.778 20 5 EDBDRO COc1cc(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000261707526 536515476 /nfs/dbraw/zinc/51/54/76/536515476.db2.gz PISWUTBJCKJEGC-GHMZBOCLSA-N 1 0 337.376 1.730 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000174304986 528290595 /nfs/dbraw/zinc/29/05/95/528290595.db2.gz LCAHYNSAFGYPPU-HOTGVXAUSA-N 1 0 337.420 1.751 20 5 EDBDRO CC[N@H+](CCc1nccs1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000159336776 528607493 /nfs/dbraw/zinc/60/74/93/528607493.db2.gz VGXYBNCJZDGRQL-GFCCVEGCSA-N 1 0 325.394 1.173 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181292217 529066343 /nfs/dbraw/zinc/06/63/43/529066343.db2.gz NHSHRPVMJOEKJA-GFCCVEGCSA-N 1 0 335.360 1.880 20 5 EDBDRO CC[NH+]1CCN(CCNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000179567341 529145942 /nfs/dbraw/zinc/14/59/42/529145942.db2.gz UZABFKUAGDDZAA-UHFFFAOYSA-N 1 0 348.447 1.887 20 5 EDBDRO CC[NH+]1CCN(CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000089420899 535666972 /nfs/dbraw/zinc/66/69/72/535666972.db2.gz DLDACPDYPPLEOF-UHFFFAOYSA-N 1 0 332.364 1.047 20 5 EDBDRO C[NH+](C)CCn1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1=O ZINC000270272657 535934611 /nfs/dbraw/zinc/93/46/11/535934611.db2.gz UEBBUDVUUSBMBM-UHFFFAOYSA-N 1 0 344.371 1.499 20 5 EDBDRO C[NH+](C)CCn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1=O ZINC000270213910 535934801 /nfs/dbraw/zinc/93/48/01/535934801.db2.gz LRZXBINVURRZSS-UHFFFAOYSA-N 1 0 330.344 1.570 20 5 EDBDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000332282266 536451469 /nfs/dbraw/zinc/45/14/69/536451469.db2.gz HPZCQVSAUDZSQN-OAHLLOKOSA-N 1 0 346.387 1.020 20 5 EDBDRO C[C@@](O)(C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccco1 ZINC000742375203 579450320 /nfs/dbraw/zinc/45/03/20/579450320.db2.gz MCWYKZQQDITLOL-MRXNPFEDSA-N 1 0 334.328 1.956 20 5 EDBDRO C[NH+](C)CCOC1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000733154564 578744231 /nfs/dbraw/zinc/74/42/31/578744231.db2.gz RBYHVPHHVXXMOY-UHFFFAOYSA-N 1 0 339.367 1.917 20 5 EDBDRO O=C(NC1CC1)N[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000760907701 580041180 /nfs/dbraw/zinc/04/11/80/580041180.db2.gz ONBKKWRKCFNVBZ-ZFWWWQNUSA-N 1 0 334.376 1.164 20 5 EDBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C[NH+]1CCOCC1 ZINC000736026540 578947796 /nfs/dbraw/zinc/94/77/96/578947796.db2.gz PQISSGNDNMVVPG-LLVKDONJSA-N 1 0 347.379 1.155 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000749679151 579734566 /nfs/dbraw/zinc/73/45/66/579734566.db2.gz VIVIRBSFWXGBMV-ZBFHGGJFSA-N 1 0 343.387 1.677 20 5 EDBDRO COC(=O)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000754516517 579905143 /nfs/dbraw/zinc/90/51/43/579905143.db2.gz KJXRNZDHRLOPEO-GXFFZTMASA-N 1 0 335.360 1.853 20 5 EDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000762966438 580088816 /nfs/dbraw/zinc/08/88/16/580088816.db2.gz GHRKERJRBAMDCO-VXGBXAGGSA-N 1 0 344.371 1.669 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000766650042 580171186 /nfs/dbraw/zinc/17/11/86/580171186.db2.gz QUNNLHZTCUDJIO-CYBMUJFWSA-N 1 0 330.344 1.760 20 5 EDBDRO COC(=O)C[C@@]1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCCOC1 ZINC000770702575 580268476 /nfs/dbraw/zinc/26/84/76/580268476.db2.gz POUUDHPWGFZSPP-INIZCTEOSA-N 1 0 338.360 1.676 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)cc1 ZINC000776590936 580422911 /nfs/dbraw/zinc/42/29/11/580422911.db2.gz MKMIDBXJIAPHGK-BBRMVZONSA-N 1 0 331.376 1.632 20 5 EDBDRO CC(C)(O)C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000776593578 580423288 /nfs/dbraw/zinc/42/32/88/580423288.db2.gz YCDDHUDSQZFXOW-INIZCTEOSA-N 1 0 338.404 1.880 20 5 EDBDRO COc1ccccc1[C@@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000782067683 580565471 /nfs/dbraw/zinc/56/54/71/580565471.db2.gz LIPZQOUPXNPEPE-CVEARBPZSA-N 1 0 332.356 1.960 20 5 EDBDRO COC(=O)CC(C)(C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000784189769 580614989 /nfs/dbraw/zinc/61/49/89/580614989.db2.gz RCJWAZTUPOFJNR-UHFFFAOYSA-N 1 0 344.389 1.300 20 5 EDBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000738358442 598855665 /nfs/dbraw/zinc/85/56/65/598855665.db2.gz MFKPROYDZGWFOO-LBPRGKRZSA-N 1 0 343.391 1.697 20 5 EDBDRO CCN1CC[NH+](C[C@H](C)CNc2ncc([N+](=O)[O-])cc2OC)CC1 ZINC000891898115 590679018 /nfs/dbraw/zinc/67/90/18/590679018.db2.gz WDDSXGGXBPMVDU-CYBMUJFWSA-N 1 0 337.424 1.684 20 5 EDBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ncc([N+](=O)[O-])cc2OC)C1 ZINC000892773826 591172575 /nfs/dbraw/zinc/17/25/75/591172575.db2.gz DHPZGXKZMXJAMA-AWEZNQCLSA-N 1 0 338.408 1.936 20 5 EDBDRO C[C@H]1[C@@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000895734765 591264424 /nfs/dbraw/zinc/26/44/24/591264424.db2.gz AEJYCYWOHLEYJQ-ZFWWWQNUSA-N 1 0 334.420 1.932 20 5 EDBDRO O=C1NCCN1CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000895814862 591279527 /nfs/dbraw/zinc/27/95/27/591279527.db2.gz RCWVGGPLGRZERE-UHFFFAOYSA-N 1 0 332.282 1.728 20 5 EDBDRO C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)O2)CO1 ZINC000895818923 591280609 /nfs/dbraw/zinc/28/06/09/591280609.db2.gz UGOIPXASHPQTNS-PTAYCEHPSA-N 1 0 336.392 1.811 20 5 EDBDRO [NH3+]CCN(c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894453245 591316045 /nfs/dbraw/zinc/31/60/45/591316045.db2.gz CUXCBGQZMSYATO-LSDHHAIUSA-N 1 0 339.367 1.994 20 5 EDBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000898849636 591555465 /nfs/dbraw/zinc/55/54/65/591555465.db2.gz UGICWXBDFKDKAQ-HUUCEWRRSA-N 1 0 333.388 1.963 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCC(O)CC2)c1C ZINC000896933310 591687245 /nfs/dbraw/zinc/68/72/45/591687245.db2.gz TTWCOZBXEPSHFR-UHFFFAOYSA-N 1 0 335.404 1.788 20 5 EDBDRO COc1cc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])cc1F ZINC000897221786 591776088 /nfs/dbraw/zinc/77/60/88/591776088.db2.gz OTSZFBHUCAJYLP-QWHCGFSZSA-N 1 0 339.367 1.778 20 5 EDBDRO C[N@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000899736332 591925521 /nfs/dbraw/zinc/92/55/21/591925521.db2.gz APDJJSWGRZGZET-UHFFFAOYSA-N 1 0 335.282 1.268 20 5 EDBDRO COC[C@@H]1C[NH2+]CCN1c1ncc([N+](=O)[O-])c(C)c1Br ZINC000900452145 592021324 /nfs/dbraw/zinc/02/13/24/592021324.db2.gz ZGDOXLOVKFFIDC-VIFPVBQESA-N 1 0 345.197 1.485 20 5 EDBDRO C[C@@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000900807987 592130647 /nfs/dbraw/zinc/13/06/47/592130647.db2.gz XSRWKKDIFWAVIA-RISCZKNCSA-N 1 0 338.383 1.027 20 5 EDBDRO CCC[C@H]([NH2+]C[C@@]1(CO)COCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000903285701 592148859 /nfs/dbraw/zinc/14/88/59/592148859.db2.gz RQCWDTMSPOAQNW-DLBZAZTESA-N 1 0 337.420 1.719 20 5 EDBDRO C[C@@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000903287869 592153337 /nfs/dbraw/zinc/15/33/37/592153337.db2.gz HQBFUFYEXDWKCO-GFCCVEGCSA-N 1 0 327.406 1.671 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C[C@]2(O)CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000900966931 592187359 /nfs/dbraw/zinc/18/73/59/592187359.db2.gz IPDGNPIXAIDAOD-SUMWQHHRSA-N 1 0 335.404 1.927 20 5 EDBDRO CN1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC1(C)C ZINC000907974635 592244511 /nfs/dbraw/zinc/24/45/11/592244511.db2.gz DITYLESVHLAAIQ-UHFFFAOYSA-N 1 0 349.387 1.922 20 5 EDBDRO Cn1cnc([C@@H]2CN(Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]2[NH3+])c1 ZINC000904491336 592271999 /nfs/dbraw/zinc/27/19/99/592271999.db2.gz ONWKJRGMHIBVES-DGCLKSJQSA-N 1 0 335.795 1.908 20 5 EDBDRO COC[C@@H]1C[NH2+]CCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903882072 592361842 /nfs/dbraw/zinc/36/18/42/592361842.db2.gz KEYLVHDISCFSIQ-JTQLQIEISA-N 1 0 344.209 1.778 20 5 EDBDRO Cc1c(C[C@@H](C[NH3+])CN(C)Cc2ccccc2[N+](=O)[O-])cnn1C ZINC000903883987 592362656 /nfs/dbraw/zinc/36/26/56/592362656.db2.gz NXZDKEOIEIBDGK-AWEZNQCLSA-N 1 0 331.420 1.886 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000905446295 592528538 /nfs/dbraw/zinc/52/85/38/592528538.db2.gz FOYMQJRSELLYEL-VHSXEESVSA-N 1 0 344.236 1.776 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000907547255 592702531 /nfs/dbraw/zinc/70/25/31/592702531.db2.gz FQSNLPRMYKDCCV-DOMZBBRYSA-N 1 0 339.417 1.475 20 5 EDBDRO C[NH+]1CCN(C[C@@H](O)COc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000840755765 592936010 /nfs/dbraw/zinc/93/60/10/592936010.db2.gz CTUHTVUDLAVFFL-GFCCVEGCSA-N 1 0 329.784 1.235 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)C[C@H](C)[NH2+]1 ZINC000911798826 593012228 /nfs/dbraw/zinc/01/22/28/593012228.db2.gz BHEKQWFSQUDIIV-STQMWFEESA-N 1 0 343.387 1.662 20 5 EDBDRO C[C@@H](C(=O)N(CCO)C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000911942177 593036722 /nfs/dbraw/zinc/03/67/22/593036722.db2.gz BMJOTBLHPXYDLT-CYBMUJFWSA-N 1 0 335.404 1.613 20 5 EDBDRO O=C([C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000911973378 593043743 /nfs/dbraw/zinc/04/37/43/593043743.db2.gz LDEXBQBZVGCMKO-APHBMKBZSA-N 1 0 330.388 1.384 20 5 EDBDRO O=C(N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911973147 593043748 /nfs/dbraw/zinc/04/37/48/593043748.db2.gz FNJGXHKBYGOOHJ-GUYCJALGSA-N 1 0 330.388 1.243 20 5 EDBDRO CC(=O)NCC[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000805821546 593148062 /nfs/dbraw/zinc/14/80/62/593148062.db2.gz BDRNRPRHUCWRPF-PBHICJAKSA-N 1 0 335.404 1.866 20 5 EDBDRO O=C(CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000838895986 593235846 /nfs/dbraw/zinc/23/58/46/593235846.db2.gz VHQDJESURWWZFO-CYBMUJFWSA-N 1 0 333.392 1.489 20 5 EDBDRO CC(C)S(=O)(=O)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000808726098 593282927 /nfs/dbraw/zinc/28/29/27/593282927.db2.gz PIVQKVOCWARPIH-STQMWFEESA-N 1 0 344.437 1.688 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000817374316 593598370 /nfs/dbraw/zinc/59/83/70/593598370.db2.gz KEZHQCLJNQNMDP-GFCCVEGCSA-N 1 0 347.375 1.395 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)cc([N+](=O)[O-])c1F ZINC000817861333 593642055 /nfs/dbraw/zinc/64/20/55/593642055.db2.gz BLRBCUNLVNPQGO-UHFFFAOYSA-N 1 0 343.380 1.559 20 5 EDBDRO C[C@H]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@H]1C[NH3+] ZINC000818009565 593657019 /nfs/dbraw/zinc/65/70/19/593657019.db2.gz WBLCWOHGKHKKEC-AAEUAGOBSA-N 1 0 331.376 1.388 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)CNC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000819083797 593737793 /nfs/dbraw/zinc/73/77/93/593737793.db2.gz FXUGBPXRWAUCIP-KSSFIOAISA-N 1 0 349.431 1.719 20 5 EDBDRO Cn1nccc1[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000819353080 593751569 /nfs/dbraw/zinc/75/15/69/593751569.db2.gz LZNNKNDBDXQRMO-XYPHTWIQSA-N 1 0 346.387 1.872 20 5 EDBDRO CC(C)[N@H+]1C[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000820752175 593880702 /nfs/dbraw/zinc/88/07/02/593880702.db2.gz KZSVMNCDPDZNOL-ONGXEEELSA-N 1 0 332.368 1.311 20 5 EDBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000820752000 593881445 /nfs/dbraw/zinc/88/14/45/593881445.db2.gz JOURGSRNQUYGSP-GXFFZTMASA-N 1 0 331.380 1.916 20 5 EDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823945834 593892105 /nfs/dbraw/zinc/89/21/05/593892105.db2.gz XYVYGVWCDNPLEX-LBPRGKRZSA-N 1 0 339.396 1.391 20 5 EDBDRO CC[NH+](CC)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821182017 593984803 /nfs/dbraw/zinc/98/48/03/593984803.db2.gz RTXPBIYVQIYPMY-SNVBAGLBSA-N 1 0 332.368 1.090 20 5 EDBDRO Cc1c(Cc2noc(-c3cn(CCC[NH3+])nn3)n2)cccc1[N+](=O)[O-] ZINC000822863401 594112932 /nfs/dbraw/zinc/11/29/32/594112932.db2.gz RIFWIVCJTAJIQW-UHFFFAOYSA-N 1 0 343.347 1.484 20 5 EDBDRO CCOC(=O)Cc1ccc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000826019625 594307474 /nfs/dbraw/zinc/30/74/74/594307474.db2.gz IEKVEISATGXFLT-OKILXGFUSA-N 1 0 333.388 1.698 20 5 EDBDRO C[NH+]1CCC2(CCCN2C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000828249088 594374441 /nfs/dbraw/zinc/37/44/41/594374441.db2.gz VWACVSUWBKKWQH-OAHLLOKOSA-N 1 0 333.388 1.715 20 5 EDBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N(C)CCC[NH+](C)C ZINC000828519540 594443946 /nfs/dbraw/zinc/44/39/46/594443946.db2.gz RZAWHTQVHGTZHE-UHFFFAOYSA-N 1 0 340.355 1.716 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000826632242 594543617 /nfs/dbraw/zinc/54/36/17/594543617.db2.gz DQUDJTQJHMDBBC-TXEJJXNPSA-N 1 0 325.413 1.665 20 5 EDBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N(C)CC[NH+](C)C ZINC000826770856 594572937 /nfs/dbraw/zinc/57/29/37/594572937.db2.gz HPJPAXNWZBTXNO-UHFFFAOYSA-N 1 0 326.328 1.326 20 5 EDBDRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000829285880 594592783 /nfs/dbraw/zinc/59/27/83/594592783.db2.gz DQPWLIWHNMFCML-UHFFFAOYSA-N 1 0 336.392 1.118 20 5 EDBDRO COCCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000832920082 594785139 /nfs/dbraw/zinc/78/51/39/594785139.db2.gz QWBNWYUNVNBTHP-UHFFFAOYSA-N 1 0 329.441 1.781 20 5 EDBDRO C[NH+]1CCC(CCO)(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000867250624 594845732 /nfs/dbraw/zinc/84/57/32/594845732.db2.gz KVKDVTNGBMNAKF-UHFFFAOYSA-N 1 0 339.367 1.239 20 5 EDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841168631 594861994 /nfs/dbraw/zinc/86/19/94/594861994.db2.gz DSQBXZFYCCNMBE-VIFPVBQESA-N 1 0 340.767 1.303 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000841208799 594868348 /nfs/dbraw/zinc/86/83/48/594868348.db2.gz SWKRIGNMCAKVEH-ZJUUUORDSA-N 1 0 338.339 1.177 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000841856172 594966403 /nfs/dbraw/zinc/96/64/03/594966403.db2.gz PLWJDCXJIZAJPS-ZANVPECISA-N 1 0 342.783 1.506 20 5 EDBDRO O=C(NC1CC[NH+](C2CCC2)CC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000837042460 595027222 /nfs/dbraw/zinc/02/72/22/595027222.db2.gz BHGHLAXHJNCLGW-MRXNPFEDSA-N 1 0 333.388 1.761 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@H]3C[NH2+]CCO3)n2)c1 ZINC000843222352 595042397 /nfs/dbraw/zinc/04/23/97/595042397.db2.gz HBLMXHSIFCWKKA-LBPRGKRZSA-N 1 0 334.332 1.108 20 5 EDBDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000842225119 595044108 /nfs/dbraw/zinc/04/41/08/595044108.db2.gz IMRBLJGYULPFRK-UHFFFAOYSA-N 1 0 340.767 1.397 20 5 EDBDRO Cc1c(CNC(=O)C(=O)NCCCCCC[NH3+])cccc1[N+](=O)[O-] ZINC000843261113 595056568 /nfs/dbraw/zinc/05/65/68/595056568.db2.gz JKVWZRPGTBREHC-UHFFFAOYSA-N 1 0 336.392 1.155 20 5 EDBDRO O=C(CN1CC[C@]2(CC[NH2+]C2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843368920 595089689 /nfs/dbraw/zinc/08/96/89/595089689.db2.gz SUDHCJRRRNCGBN-HNNXBMFYSA-N 1 0 338.795 1.872 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000842479946 595116430 /nfs/dbraw/zinc/11/64/30/595116430.db2.gz JVNBQDCRJAMZCQ-VHSXEESVSA-N 1 0 347.824 1.962 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843456345 595117027 /nfs/dbraw/zinc/11/70/27/595117027.db2.gz SASSKMSKPHWUDG-UHFFFAOYSA-N 1 0 345.359 1.733 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842484631 595120175 /nfs/dbraw/zinc/12/01/75/595120175.db2.gz JTXJLGQQFVAZRP-AWEZNQCLSA-N 1 0 325.390 1.420 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000843485435 595125741 /nfs/dbraw/zinc/12/57/41/595125741.db2.gz ZVXUTSDWLWHQCD-QMMMGPOBSA-N 1 0 332.263 1.524 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000843498933 595132425 /nfs/dbraw/zinc/13/24/25/595132425.db2.gz WDGCWUHFYPZHHZ-JOYOIKCWSA-N 1 0 336.348 1.868 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000842646250 595156076 /nfs/dbraw/zinc/15/60/76/595156076.db2.gz QBSVMISGZKKIRE-CYBMUJFWSA-N 1 0 345.359 1.906 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1F ZINC000842699429 595173973 /nfs/dbraw/zinc/17/39/73/595173973.db2.gz OHRMLPOQCDCITC-MNOVXSKESA-N 1 0 345.396 1.709 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1F ZINC000842747487 595187395 /nfs/dbraw/zinc/18/73/95/595187395.db2.gz IURYGYOLCNHXRY-LLVKDONJSA-N 1 0 343.380 1.557 20 5 EDBDRO CC[NH+]1CCN(CCNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])CC1 ZINC000843797122 595189001 /nfs/dbraw/zinc/18/90/01/595189001.db2.gz SGQDHWWJIWXNQB-UHFFFAOYSA-N 1 0 338.383 1.410 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc([N+](=O)[O-])c1F ZINC000842762590 595191198 /nfs/dbraw/zinc/19/11/98/595191198.db2.gz HRPJLHPNWDPCTQ-CQSZACIVSA-N 1 0 343.380 1.416 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc([N+](=O)[O-])c1F ZINC000842834740 595212222 /nfs/dbraw/zinc/21/22/22/595212222.db2.gz AIYKNDOBTUVIAQ-ZJUUUORDSA-N 1 0 331.369 1.413 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000842869144 595220132 /nfs/dbraw/zinc/22/01/32/595220132.db2.gz GWVFUCKEXOUEKO-LBPRGKRZSA-N 1 0 347.824 1.914 20 5 EDBDRO Cc1c(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000834841927 595227464 /nfs/dbraw/zinc/22/74/64/595227464.db2.gz WZSPJDOOGPFHJS-NSHDSACASA-N 1 0 344.274 1.538 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1F ZINC000867420492 595228058 /nfs/dbraw/zinc/22/80/58/595228058.db2.gz IRFGYYXEFCUTPE-LLVKDONJSA-N 1 0 345.396 1.757 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)C2(C[NH3+])CCC2)cc([N+](=O)[O-])c1F ZINC000842893007 595228166 /nfs/dbraw/zinc/22/81/66/595228166.db2.gz QYSJLQAISQYPOK-UHFFFAOYSA-N 1 0 331.369 1.544 20 5 EDBDRO C[NH+](C)C1(CS(=O)(=O)Oc2ccc([N+](=O)[O-])c(F)c2F)CC1 ZINC000867345620 595269935 /nfs/dbraw/zinc/26/99/35/595269935.db2.gz RKXOPQMOHHJPCQ-UHFFFAOYSA-N 1 0 336.316 1.676 20 5 EDBDRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843103564 595287594 /nfs/dbraw/zinc/28/75/94/595287594.db2.gz BKQCQWYGCHEGCJ-BPLDGKMQSA-N 1 0 326.393 1.376 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846689124 595302314 /nfs/dbraw/zinc/30/23/14/595302314.db2.gz YOKAXSIPPPMUKS-MKBNYLNASA-N 1 0 348.403 1.536 20 5 EDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000846689755 595302377 /nfs/dbraw/zinc/30/23/77/595302377.db2.gz SCSMAUFNYWDAIN-SJCJKPOMSA-N 1 0 332.404 1.862 20 5 EDBDRO C[C@@H]1C[C@H]([NH3+])CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000846706455 595304848 /nfs/dbraw/zinc/30/48/48/595304848.db2.gz PGCVISDSDDLCDH-MWLCHTKSSA-N 1 0 326.784 1.998 20 5 EDBDRO COC[C@H]1CC[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848479461 595390525 /nfs/dbraw/zinc/39/05/25/595390525.db2.gz AWEUFFKMGPYLOK-XJKSGUPXSA-N 1 0 333.388 1.837 20 5 EDBDRO NC(=O)C[C@@H]1CC[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848486724 595393208 /nfs/dbraw/zinc/39/32/08/595393208.db2.gz KQIOGWWRCFEJAT-SWLSCSKDSA-N 1 0 346.387 1.066 20 5 EDBDRO C[C@H](NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000847377639 595407386 /nfs/dbraw/zinc/40/73/86/595407386.db2.gz DSEONPNHKHIVCH-TUKIKUTGSA-N 1 0 334.376 1.116 20 5 EDBDRO C[N@@H+]1CC[C@@H](CCOC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000847829198 595489728 /nfs/dbraw/zinc/48/97/28/595489728.db2.gz JLQIMUVHPBUSPG-LBPRGKRZSA-N 1 0 345.359 1.674 20 5 EDBDRO O=C(NCCC[NH2+]C1CC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857763052 595599355 /nfs/dbraw/zinc/59/93/55/595599355.db2.gz NHABXIRCHRRYDE-UHFFFAOYSA-N 1 0 329.303 1.825 20 5 EDBDRO C[NH2+]C1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000857766167 595600983 /nfs/dbraw/zinc/60/09/83/595600983.db2.gz NBGREPXVAWEPDD-UHFFFAOYSA-N 1 0 329.303 1.777 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000860162413 595601429 /nfs/dbraw/zinc/60/14/29/595601429.db2.gz WIUGPXJFXJUZBB-VXGBXAGGSA-N 1 0 333.344 1.337 20 5 EDBDRO COC[C@@H](OC)C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000851035307 595709972 /nfs/dbraw/zinc/70/99/72/595709972.db2.gz IERKSUKTZCBYDF-LSDHHAIUSA-N 1 0 338.360 1.374 20 5 EDBDRO CCN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@H]1CC[N@H+](CC)C1 ZINC000855489594 595725903 /nfs/dbraw/zinc/72/59/03/595725903.db2.gz AVMDYUAATDPKDI-AWEZNQCLSA-N 1 0 349.387 1.729 20 5 EDBDRO COc1cc(C(=O)OC[C@]2(C)C[C@H](OC)C[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000861345942 595952821 /nfs/dbraw/zinc/95/28/21/595952821.db2.gz ZMAHTWZZBKFNNQ-LRDDRELGSA-N 1 0 338.360 1.869 20 5 EDBDRO CC(C)[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[NH2+]1 ZINC000851898738 595967922 /nfs/dbraw/zinc/96/79/22/595967922.db2.gz XJLOFLKODHGVGW-NSHDSACASA-N 1 0 331.369 1.352 20 5 EDBDRO Cc1cc(F)cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000861710566 596075825 /nfs/dbraw/zinc/07/58/25/596075825.db2.gz CAVPQHFYSKOEAI-CHWSQXEVSA-N 1 0 337.351 1.323 20 5 EDBDRO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861716314 596078476 /nfs/dbraw/zinc/07/84/76/596078476.db2.gz RANQCDYURDCRKZ-QWRGUYRKSA-N 1 0 339.779 1.529 20 5 EDBDRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc([N+](=O)[O-])ccc1F ZINC000854742824 596184685 /nfs/dbraw/zinc/18/46/85/596184685.db2.gz GWIUQHKMRGQJHG-NSHDSACASA-N 1 0 325.340 1.311 20 5 EDBDRO O=C1OCCN1C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000852721821 596232821 /nfs/dbraw/zinc/23/28/21/596232821.db2.gz JDKOVEKYJDGWDT-HNNXBMFYSA-N 1 0 335.360 1.545 20 5 EDBDRO Cc1nn(CN2CC[NH+](CC(C)(C)O)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121208514 596327722 /nfs/dbraw/zinc/32/77/22/596327722.db2.gz LJQSJZXPHIFKRE-UHFFFAOYSA-N 1 0 347.419 1.599 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c(F)cc1[N+](=O)[O-] ZINC000866772489 596335371 /nfs/dbraw/zinc/33/53/71/596335371.db2.gz UZOASJDOVDMTBA-AWEZNQCLSA-N 1 0 343.380 1.559 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c1C ZINC000866828337 596369106 /nfs/dbraw/zinc/36/91/06/596369106.db2.gz WDKXITBEVLWSJP-QWHCGFSZSA-N 1 0 339.417 1.727 20 5 EDBDRO CC(C)[N@@H+]1CCCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CC1 ZINC000870880654 596387550 /nfs/dbraw/zinc/38/75/50/596387550.db2.gz IKSWDSWXIOGNBR-KRWDZBQOSA-N 1 0 334.420 1.711 20 5 EDBDRO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000871047525 596446228 /nfs/dbraw/zinc/44/62/28/596446228.db2.gz CBWRCXQHIWLIEV-ZFWWWQNUSA-N 1 0 342.403 1.921 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000867811230 596562757 /nfs/dbraw/zinc/56/27/57/596562757.db2.gz AXHFAKLVFXQFHW-PWSUYJOCSA-N 1 0 343.380 1.449 20 5 EDBDRO COC(=O)C1=CC[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000863571883 596622109 /nfs/dbraw/zinc/62/21/09/596622109.db2.gz GHWWUDMHWOTOSD-TZMCWYRMSA-N 1 0 336.344 1.186 20 5 EDBDRO COC(=O)C1=CC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000863572071 596622884 /nfs/dbraw/zinc/62/28/84/596622884.db2.gz JGPQZCLYOKLBKD-LBPRGKRZSA-N 1 0 333.344 1.775 20 5 EDBDRO CC(C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000863582112 596625865 /nfs/dbraw/zinc/62/58/65/596625865.db2.gz DBAXRPJLCOPHNR-OAHLLOKOSA-N 1 0 335.404 1.866 20 5 EDBDRO C[C@@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000865817074 596695585 /nfs/dbraw/zinc/69/55/85/596695585.db2.gz XXWCEUOWZUXGCT-LBPRGKRZSA-N 1 0 338.383 1.029 20 5 EDBDRO CC(C)(O)C[N@@H+]1CC[C@H](Nc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865997266 596752554 /nfs/dbraw/zinc/75/25/54/596752554.db2.gz WYOYGMNDJWPLRB-NSHDSACASA-N 1 0 327.356 1.483 20 5 EDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000866350728 596863785 /nfs/dbraw/zinc/86/37/85/596863785.db2.gz HMBBTOVPVGTMKU-JTQLQIEISA-N 1 0 330.381 1.832 20 5 EDBDRO Cc1c(C[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000873052420 597172436 /nfs/dbraw/zinc/17/24/36/597172436.db2.gz PGPCGDIXERESNM-QGZVFWFLSA-N 1 0 348.447 1.399 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000874843564 597195417 /nfs/dbraw/zinc/19/54/17/597195417.db2.gz PWLNSYRKIFTWPJ-UONOGXRCSA-N 1 0 329.360 1.780 20 5 EDBDRO Cc1c(C[NH2+]CC2(N3CCOCC3)CCOCC2)cccc1[N+](=O)[O-] ZINC000873131228 597206771 /nfs/dbraw/zinc/20/67/71/597206771.db2.gz PJZNLUPGFAPFIK-UHFFFAOYSA-N 1 0 349.431 1.874 20 5 EDBDRO O=C(NCCCN1CC[NH2+]CC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876502471 597223129 /nfs/dbraw/zinc/22/31/29/597223129.db2.gz AJLVFBAWUUKPGW-UHFFFAOYSA-N 1 0 342.399 1.773 20 5 EDBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877281257 597485851 /nfs/dbraw/zinc/48/58/51/597485851.db2.gz GQCOGLDVYUXMHA-OCCSQVGLSA-N 1 0 341.371 1.747 20 5 EDBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877281252 597485867 /nfs/dbraw/zinc/48/58/67/597485867.db2.gz GQCOGLDVYUXMHA-GXTWGEPZSA-N 1 0 341.371 1.747 20 5 EDBDRO CC[N@@H+]1CC[C@@H]1CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000877874615 597561586 /nfs/dbraw/zinc/56/15/86/597561586.db2.gz DLVJLWJCNPODEH-CJNGLKHVSA-N 1 0 332.360 1.456 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC000878334591 597596253 /nfs/dbraw/zinc/59/62/53/597596253.db2.gz CPRAZZIKNRRQJB-UHFFFAOYSA-N 1 0 341.412 1.898 20 5 EDBDRO CCOc1cc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000879535160 597623960 /nfs/dbraw/zinc/62/39/60/597623960.db2.gz IEOQHYTYAOVUIN-TXEJJXNPSA-N 1 0 333.344 1.040 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879567034 597634187 /nfs/dbraw/zinc/63/41/87/597634187.db2.gz LIDOFMYRPSHGNY-UNEWFSDZSA-N 1 0 335.404 1.361 20 5 EDBDRO O=C(N[C@H](CO)C[NH+]1CCCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000879998419 597804444 /nfs/dbraw/zinc/80/44/44/597804444.db2.gz ROTKVZJKCWUDIX-LBPRGKRZSA-N 1 0 343.330 1.260 20 5 EDBDRO C[C@@H]1CN(c2ccnc(F)c2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000882145415 597881063 /nfs/dbraw/zinc/88/10/63/597881063.db2.gz OFOMMMJNMBAWSW-OLZOCXBDSA-N 1 0 337.399 1.591 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H]2CCOC[C@H]2OC)c1 ZINC000880436461 597934389 /nfs/dbraw/zinc/93/43/89/597934389.db2.gz WKSHHARYQVENGU-LSDHHAIUSA-N 1 0 338.360 1.617 20 5 EDBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000738358086 598469164 /nfs/dbraw/zinc/46/91/64/598469164.db2.gz KSFMIOZCVJUCCC-ZDUSSCGKSA-N 1 0 343.391 1.840 20 5 EDBDRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000917137560 696950280 /nfs/dbraw/zinc/95/02/80/696950280.db2.gz TZPUOMFITICONN-UHFFFAOYSA-N 1 0 329.422 1.664 20 5 EDBDRO COC(=O)[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000917158772 696957669 /nfs/dbraw/zinc/95/76/69/696957669.db2.gz UIAYEKSTWYYXMH-SECBINFHSA-N 1 0 341.751 1.682 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000917654063 697059289 /nfs/dbraw/zinc/05/92/89/697059289.db2.gz UQBNVJJBNFKUBM-GHMZBOCLSA-N 1 0 343.380 1.639 20 5 EDBDRO CC1([NH2+]CC2CC(F)(F)C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000940107040 700218472 /nfs/dbraw/zinc/21/84/72/700218472.db2.gz FAVDPLIYSBKKHR-VXGBXAGGSA-N 1 0 331.363 1.668 20 5 EDBDRO Cc1ncccc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000940107872 700219767 /nfs/dbraw/zinc/21/97/67/700219767.db2.gz RCHKNTPGYKTPAR-HUUCEWRRSA-N 1 0 332.404 1.526 20 5 EDBDRO O=C(c1cnon1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997099750 703345355 /nfs/dbraw/zinc/34/53/55/703345355.db2.gz DEJFEUBTYASOHF-UHFFFAOYSA-N 1 0 337.361 1.434 20 5 EDBDRO CN1CCOC[C@]1(CO)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000922536689 703942183 /nfs/dbraw/zinc/94/21/83/703942183.db2.gz YEXHTJKYXZRKJC-CQSZACIVSA-N 1 0 329.784 1.031 20 5 EDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CCc2ccccc2F)CC1 ZINC001005382363 708816205 /nfs/dbraw/zinc/81/62/05/708816205.db2.gz QPJVUJNPEMIEHU-NVXWUHKLSA-N 1 0 349.406 1.956 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CC[C@H](NC(=O)C(C)(F)F)CC1 ZINC001034580060 710251822 /nfs/dbraw/zinc/25/18/22/710251822.db2.gz VGRGKTCYEQTEOI-MGCOHNPYSA-N 1 0 345.350 1.501 20 5 EDBDRO Cn1ncc(C(=O)NC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001003791942 710563481 /nfs/dbraw/zinc/56/34/81/710563481.db2.gz RXGHBOJSJCWCJJ-UHFFFAOYSA-N 1 0 344.375 1.118 20 5 EDBDRO CC(=O)NC1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000050993454 214074270 /nfs/dbraw/zinc/07/42/70/214074270.db2.gz LCZGTZGABRQZEP-UHFFFAOYSA-N 1 0 348.403 1.832 20 5 EDBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc(C)cs1 ZINC000184343391 529619848 /nfs/dbraw/zinc/61/98/48/529619848.db2.gz NOVBBBAXFPDMHU-RYUDHWBXSA-N 1 0 325.394 1.658 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cccc([N+](=O)[O-])c1 ZINC000369778942 282225232 /nfs/dbraw/zinc/22/52/32/282225232.db2.gz TWIIYWVOEQEIAY-KBMXLJTQSA-N 1 0 333.388 1.919 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCO[C@@H](C)C2)c1 ZINC000558827603 306247334 /nfs/dbraw/zinc/24/73/34/306247334.db2.gz CXLCZYXGXCYRQZ-LBPRGKRZSA-N 1 0 337.376 1.444 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000068350565 282252563 /nfs/dbraw/zinc/25/25/63/282252563.db2.gz GDXPKTXBLHUUTN-ZDUSSCGKSA-N 1 0 335.360 1.339 20 5 EDBDRO CNC(=O)CCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000154631976 529851713 /nfs/dbraw/zinc/85/17/13/529851713.db2.gz XZDVJMMPUXFXKG-UHFFFAOYSA-N 1 0 342.783 1.645 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)CC[C@@H]21 ZINC000154164934 530064325 /nfs/dbraw/zinc/06/43/25/530064325.db2.gz PJDLUYDRRZBDKU-GWCFXTLKSA-N 1 0 336.367 1.872 20 5 EDBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000178606073 232294929 /nfs/dbraw/zinc/29/49/29/232294929.db2.gz FOGWROAQWZDRDR-ZDUSSCGKSA-N 1 0 336.396 1.061 20 5 EDBDRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000067394025 215139586 /nfs/dbraw/zinc/13/95/86/215139586.db2.gz DHLOYXASFICLLF-CYBMUJFWSA-N 1 0 348.403 1.690 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000068341610 215301346 /nfs/dbraw/zinc/30/13/46/215301346.db2.gz XGINGKBDKHEEGO-ZDUSSCGKSA-N 1 0 344.375 1.342 20 5 EDBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000068975449 215349844 /nfs/dbraw/zinc/34/98/44/215349844.db2.gz DXWFRUCLUUHVFU-TXEJJXNPSA-N 1 0 339.367 1.963 20 5 EDBDRO CN(C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@@H]1CCC[N@H+](C)C1 ZINC000181168427 234103066 /nfs/dbraw/zinc/10/30/66/234103066.db2.gz VXSKEIPLBPRABF-WBMJQRKESA-N 1 0 346.387 1.640 20 5 EDBDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000562786319 306308871 /nfs/dbraw/zinc/30/88/71/306308871.db2.gz BUQYMGLRZOBYBW-VXGBXAGGSA-N 1 0 329.422 1.882 20 5 EDBDRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000184323266 235367750 /nfs/dbraw/zinc/36/77/50/235367750.db2.gz DCKRXSRFUWNDKD-NSHDSACASA-N 1 0 326.422 1.412 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000131912113 138367817 /nfs/dbraw/zinc/36/78/17/138367817.db2.gz WHLISXZJJANQHE-HNNXBMFYSA-N 1 0 334.420 1.707 20 5 EDBDRO CCOC(=O)C1(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC[NH+](C)CC1 ZINC000135453307 138425215 /nfs/dbraw/zinc/42/52/15/138425215.db2.gz NTLRMGFOXBIMKB-UHFFFAOYSA-N 1 0 349.387 1.281 20 5 EDBDRO CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1([NH+](C)C)CCC1 ZINC000186984612 236086649 /nfs/dbraw/zinc/08/66/49/236086649.db2.gz DYSOOHCNJIAGTD-HNNXBMFYSA-N 1 0 337.420 1.751 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@H](CO)C[NH+]1CCCCC1 ZINC000413822008 304078134 /nfs/dbraw/zinc/07/81/34/304078134.db2.gz SYUNBDJIYLGULB-ZDUSSCGKSA-N 1 0 339.367 1.239 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1OC ZINC000564651110 306362018 /nfs/dbraw/zinc/36/20/18/306362018.db2.gz RLRADQBCYVJKOD-LBPRGKRZSA-N 1 0 349.387 1.969 20 5 EDBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000193698671 283429184 /nfs/dbraw/zinc/42/91/84/283429184.db2.gz AISKIJRXVOEMSD-LLVKDONJSA-N 1 0 340.405 1.116 20 5 EDBDRO Cc1cc(OC[C@H](O)CN2CC[NH+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000414120051 304101173 /nfs/dbraw/zinc/10/11/73/304101173.db2.gz AJIIPFKGZFRKKZ-GFCCVEGCSA-N 1 0 343.811 1.544 20 5 EDBDRO Cn1cnnc1Sc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000132268410 223315083 /nfs/dbraw/zinc/31/50/83/223315083.db2.gz IVIRPJBYGAVZMB-SNVBAGLBSA-N 1 0 348.388 1.048 20 5 EDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000075346572 216608818 /nfs/dbraw/zinc/60/88/18/216608818.db2.gz YFTCGASLENUPFQ-OAHLLOKOSA-N 1 0 348.403 1.267 20 5 EDBDRO COC(=O)COc1ccc(CN2CCC[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000414790181 304140982 /nfs/dbraw/zinc/14/09/82/304140982.db2.gz PFVGKCRYTPZKRR-DZGCQCFKSA-N 1 0 349.387 1.330 20 5 EDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236668492 139028185 /nfs/dbraw/zinc/02/81/85/139028185.db2.gz XLEGBXDBDQSOJP-ZDUSSCGKSA-N 1 0 331.376 1.884 20 5 EDBDRO CCC(CC)(C[NH3+])NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000236749580 139030339 /nfs/dbraw/zinc/03/03/39/139030339.db2.gz VVUTXWIUUIUGBN-UHFFFAOYSA-N 1 0 325.365 1.616 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000236982346 139037152 /nfs/dbraw/zinc/03/71/52/139037152.db2.gz BVEOROYYYZHBOB-GFCCVEGCSA-N 1 0 341.433 1.777 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000236984293 139037199 /nfs/dbraw/zinc/03/71/99/139037199.db2.gz KHCXXGMBHSWZSJ-JSGCOSHPSA-N 1 0 341.433 1.953 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)C[NH2+]1 ZINC000237375207 139049474 /nfs/dbraw/zinc/04/94/74/139049474.db2.gz QPRPINWSTXGZCC-NEPJUHHUSA-N 1 0 329.360 1.603 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000237397244 139049985 /nfs/dbraw/zinc/04/99/85/139049985.db2.gz LAZODZRAIMMZES-RISCZKNCSA-N 1 0 327.406 1.626 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](CCO)C2CCCCC2)c1 ZINC000111304048 220136240 /nfs/dbraw/zinc/13/62/40/220136240.db2.gz MVEQBPXDVLXDMX-MRXNPFEDSA-N 1 0 338.404 1.962 20 5 EDBDRO C[C@]1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC[NH2+]C1 ZINC000237529822 139053399 /nfs/dbraw/zinc/05/33/99/139053399.db2.gz ACWCTVAPJBKFHN-KRWDZBQOSA-N 1 0 332.404 1.633 20 5 EDBDRO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000111372527 220147274 /nfs/dbraw/zinc/14/72/74/220147274.db2.gz OITQNQMLHAGIFV-XHDPSFHLSA-N 1 0 329.360 1.784 20 5 EDBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2cnccn2)c([N+](=O)[O-])c1 ZINC000080965892 217345703 /nfs/dbraw/zinc/34/57/03/217345703.db2.gz NTPPLSHYSBLZSL-UHFFFAOYSA-N 1 0 345.359 1.854 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237752350 139059601 /nfs/dbraw/zinc/05/96/01/139059601.db2.gz IJKHAVBZEQYPNG-WCQYABFASA-N 1 0 327.406 1.699 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000237987004 139065774 /nfs/dbraw/zinc/06/57/74/139065774.db2.gz CYMNFZSSDSMGQR-FUNVUKJBSA-N 1 0 325.390 1.297 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415358534 304203331 /nfs/dbraw/zinc/20/33/31/304203331.db2.gz XOAQQFFYRVFGLT-NWDGAFQWSA-N 1 0 334.376 1.346 20 5 EDBDRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)Nc1ccncc1[N+](=O)[O-] ZINC000415386431 304211052 /nfs/dbraw/zinc/21/10/52/304211052.db2.gz PFDSICZIJNWXOK-AWEZNQCLSA-N 1 0 327.344 1.420 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248478573 139165801 /nfs/dbraw/zinc/16/58/01/139165801.db2.gz ZKKUCQBDLMDLCK-HUUCEWRRSA-N 1 0 337.420 1.608 20 5 EDBDRO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH3+] ZINC000251626366 139202117 /nfs/dbraw/zinc/20/21/17/139202117.db2.gz FEVCYAOWPJBLDX-GZMMTYOYSA-N 1 0 333.797 1.606 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCNC[C@@H]1c1cccc(F)c1 ZINC000261707231 139219372 /nfs/dbraw/zinc/21/93/72/139219372.db2.gz DISPVLQWHASYQF-CQSZACIVSA-N 1 0 347.350 1.412 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000261735825 139221851 /nfs/dbraw/zinc/22/18/51/139221851.db2.gz SDUMRNNUSUDHMO-CYBMUJFWSA-N 1 0 347.396 1.982 20 5 EDBDRO COCC1(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC[NH2+]CC1 ZINC000261738077 139222054 /nfs/dbraw/zinc/22/20/54/139222054.db2.gz NNKCPFXCKLMWER-UHFFFAOYSA-N 1 0 336.392 1.231 20 5 EDBDRO C[C@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@@H](C[NH3+])C1 ZINC000261886800 139234167 /nfs/dbraw/zinc/23/41/67/139234167.db2.gz UTPARCOOXYRLKU-BLLLJJGKSA-N 1 0 343.387 1.980 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000261956515 139239958 /nfs/dbraw/zinc/23/99/58/139239958.db2.gz NZIPFYQFWNSSBG-SNVBAGLBSA-N 1 0 329.378 1.024 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000262282722 139266400 /nfs/dbraw/zinc/26/64/00/139266400.db2.gz UWOWYIYQEQCAMJ-UHFFFAOYSA-N 1 0 341.371 1.960 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000417174776 251144176 /nfs/dbraw/zinc/14/41/76/251144176.db2.gz IIOWDOUFGSDYBM-YPMHNXCESA-N 1 0 336.392 1.920 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC2(C1)CC[NH2+]CC2 ZINC000417762663 251260034 /nfs/dbraw/zinc/26/00/34/251260034.db2.gz JCTVPKWHKRKLGO-UHFFFAOYSA-N 1 0 332.404 1.922 20 5 EDBDRO CO[C@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000417944607 251318181 /nfs/dbraw/zinc/31/81/81/251318181.db2.gz POHGNORHWRINDZ-GJZGRUSLSA-N 1 0 336.392 1.285 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000417850649 251297765 /nfs/dbraw/zinc/29/77/65/251297765.db2.gz MJENIOWRYUQKJU-TZMCWYRMSA-N 1 0 336.392 1.642 20 5 EDBDRO [NH3+]CC[C@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C(F)F ZINC000418726369 251398433 /nfs/dbraw/zinc/39/84/33/251398433.db2.gz CQOQHSDDYYHQDJ-LBPRGKRZSA-N 1 0 344.318 1.350 20 5 EDBDRO CS(=O)(=O)c1ccc(N[C@H](C[NH3+])C2CCCC2)c([N+](=O)[O-])c1 ZINC000262571091 139287491 /nfs/dbraw/zinc/28/74/91/139287491.db2.gz XLJXWFWGLAXEIU-CYBMUJFWSA-N 1 0 327.406 1.928 20 5 EDBDRO C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000418774179 251429263 /nfs/dbraw/zinc/42/92/63/251429263.db2.gz CXHRWVSQTYVQJQ-SGMGOOAPSA-N 1 0 348.403 1.215 20 5 EDBDRO CCOc1cc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000262713692 139298361 /nfs/dbraw/zinc/29/83/61/139298361.db2.gz DDBZPDJWWSUJID-JQWIXIFHSA-N 1 0 337.376 1.730 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000415590168 304234435 /nfs/dbraw/zinc/23/44/35/304234435.db2.gz GMMQHQFBFHIKFI-MRXNPFEDSA-N 1 0 332.360 1.054 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000262776168 139302710 /nfs/dbraw/zinc/30/27/10/139302710.db2.gz NQDVOOWFRBNXOF-RYUDHWBXSA-N 1 0 327.406 1.630 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000421007436 251822834 /nfs/dbraw/zinc/82/28/34/251822834.db2.gz HLPOESVCTTUYAN-DGCLKSJQSA-N 1 0 337.376 1.777 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N(C)CC(C)(C)C[NH3+])cc([N+](=O)[O-])c1 ZINC000422891129 252014094 /nfs/dbraw/zinc/01/40/94/252014094.db2.gz KCOPCQPWYZATCV-UHFFFAOYSA-N 1 0 337.376 1.828 20 5 EDBDRO Cc1c(CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)cccc1[N+](=O)[O-] ZINC000423795837 252078600 /nfs/dbraw/zinc/07/86/00/252078600.db2.gz FWOGLPQBRWTTMD-LBPRGKRZSA-N 1 0 329.360 1.633 20 5 EDBDRO Cc1nn(CCC(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)c(C)c1[N+](=O)[O-] ZINC000424240710 252176023 /nfs/dbraw/zinc/17/60/23/252176023.db2.gz PJGVZCIRLQGDIK-GFCCVEGCSA-N 1 0 349.435 1.789 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N[C@@H]2CCCC[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000424299624 252192654 /nfs/dbraw/zinc/19/26/54/252192654.db2.gz FFLZGTXVWXXREZ-CYZMBNFOSA-N 1 0 336.392 1.790 20 5 EDBDRO COc1ccnc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000424310526 252194899 /nfs/dbraw/zinc/19/48/99/252194899.db2.gz SHFZNIGVSLYGRR-NEPJUHHUSA-N 1 0 332.364 1.863 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000415616734 304239885 /nfs/dbraw/zinc/23/98/85/304239885.db2.gz DTDZCZWCAKCCSM-SKDRFNHKSA-N 1 0 334.376 1.264 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000415648433 304247118 /nfs/dbraw/zinc/24/71/18/304247118.db2.gz BWZLRYBQHPIDIS-LBPRGKRZSA-N 1 0 337.380 1.019 20 5 EDBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000420252770 285102064 /nfs/dbraw/zinc/10/20/64/285102064.db2.gz BVACMPFQLOBHHJ-CQSZACIVSA-N 1 0 327.388 1.627 20 5 EDBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415671120 304252885 /nfs/dbraw/zinc/25/28/85/304252885.db2.gz FOXYGEISFSRBRY-ZDUSSCGKSA-N 1 0 334.376 1.428 20 5 EDBDRO O=[N+]([O-])c1cncc(Br)c1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261591819 285187350 /nfs/dbraw/zinc/18/73/50/285187350.db2.gz MBYNOKMZHWJFRR-PSASIEDQSA-N 1 0 327.182 1.941 20 5 EDBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000488754023 255052782 /nfs/dbraw/zinc/05/27/82/255052782.db2.gz OFPKUXDPPOFOSQ-NEPJUHHUSA-N 1 0 335.360 1.596 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000493899052 255225480 /nfs/dbraw/zinc/22/54/80/255225480.db2.gz AYIXRWISSOQVCC-QWHCGFSZSA-N 1 0 341.433 1.973 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000415802581 304275133 /nfs/dbraw/zinc/27/51/33/304275133.db2.gz ZNFHTFVTRRJVPK-YPMHNXCESA-N 1 0 332.360 1.052 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000415802578 304275140 /nfs/dbraw/zinc/27/51/40/304275140.db2.gz ZNFHTFVTRRJVPK-WCQYABFASA-N 1 0 332.360 1.052 20 5 EDBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000264113547 139381147 /nfs/dbraw/zinc/38/11/47/139381147.db2.gz CDNDSEQSXHDDGU-UHFFFAOYSA-N 1 0 341.412 1.067 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000347363540 533406634 /nfs/dbraw/zinc/40/66/34/533406634.db2.gz RSFCRXXWOMRDCS-KAPURRDVSA-N 1 0 349.431 1.623 20 5 EDBDRO C[C@@H](CC1CC1)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178000735 533505252 /nfs/dbraw/zinc/50/52/52/533505252.db2.gz HSXFWUNQNACVQY-NSHDSACASA-N 1 0 327.406 1.651 20 5 EDBDRO COc1cc(C(=O)NCC2(C)CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000181224894 533530451 /nfs/dbraw/zinc/53/04/51/533530451.db2.gz UYANQMHZAJJZSO-UHFFFAOYSA-N 1 0 337.376 1.732 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@]3(O)CCOC3)cs2)c1 ZINC000269963613 140025711 /nfs/dbraw/zinc/02/57/11/140025711.db2.gz JJPYCXDOXMOYKZ-HNNXBMFYSA-N 1 0 335.385 1.959 20 5 EDBDRO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@@H]1CCC[C@@H]1O ZINC000270077349 140042437 /nfs/dbraw/zinc/04/24/37/140042437.db2.gz ITSXJGIWNYDILX-BBRMVZONSA-N 1 0 333.388 1.577 20 5 EDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000326819555 140665358 /nfs/dbraw/zinc/66/53/58/140665358.db2.gz GIKVGYGRVLIHDZ-APHBUQMISA-N 1 0 330.388 1.114 20 5 EDBDRO CNc1nc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000416333104 304310094 /nfs/dbraw/zinc/31/00/94/304310094.db2.gz KEVZQZPJSWBAKP-UHFFFAOYSA-N 1 0 335.408 1.978 20 5 EDBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000331430318 141025342 /nfs/dbraw/zinc/02/53/42/141025342.db2.gz LYYJRWUIDFHLRQ-MJBXVCDLSA-N 1 0 347.419 1.875 20 5 EDBDRO CC1CC[NH+](CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000331570016 141049916 /nfs/dbraw/zinc/04/99/16/141049916.db2.gz LSOJHPRMGCAMLW-CQSZACIVSA-N 1 0 347.419 1.735 20 5 EDBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000331961799 141103458 /nfs/dbraw/zinc/10/34/58/141103458.db2.gz BCMBFRAMKARZMC-OAGGEKHMSA-N 1 0 349.431 1.893 20 5 EDBDRO CC[NH+]1CCN(CCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000340298084 142334156 /nfs/dbraw/zinc/33/41/56/142334156.db2.gz VTFPQPYBRHQTPS-UHFFFAOYSA-N 1 0 348.447 1.626 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC[C@H](CO)O1 ZINC000340415058 142383764 /nfs/dbraw/zinc/38/37/64/142383764.db2.gz JZYNUJNSNDCMMG-KCPJHIHWSA-N 1 0 337.376 1.441 20 5 EDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000344812937 143014931 /nfs/dbraw/zinc/01/49/31/143014931.db2.gz NWNSCGLUIAWLKF-WASHYIJTSA-N 1 0 340.401 1.401 20 5 EDBDRO C[NH+](C)C1(CNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC000344827659 143016976 /nfs/dbraw/zinc/01/69/76/143016976.db2.gz IQSSNINXGKLFHJ-UHFFFAOYSA-N 1 0 348.403 1.852 20 5 EDBDRO COc1cc(OCC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000347006128 143270494 /nfs/dbraw/zinc/27/04/94/143270494.db2.gz MKBQWSNBZKIDAL-ZDUSSCGKSA-N 1 0 349.387 1.677 20 5 EDBDRO NC(=O)[C@@H](Cc1ccccc1)[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC000351440985 143568531 /nfs/dbraw/zinc/56/85/31/143568531.db2.gz JHJBTAXEVCHVNN-MRXNPFEDSA-N 1 0 328.372 1.693 20 5 EDBDRO COC(=O)COc1ccc(CN2C[C@@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000355606045 150334201 /nfs/dbraw/zinc/33/42/01/150334201.db2.gz KQRXXAMQOYWGNJ-NWDGAFQWSA-N 1 0 338.360 1.756 20 5 EDBDRO O=C(NC1CCCCC1)[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000370028614 155288947 /nfs/dbraw/zinc/28/89/47/155288947.db2.gz QRKFYAAVGVGFNV-AWEZNQCLSA-N 1 0 349.435 1.952 20 5 EDBDRO CCn1ccnc1CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CC12CC[NH2+]CC2 ZINC000370165275 155358650 /nfs/dbraw/zinc/35/86/50/155358650.db2.gz UYPFNTQGXJEIFC-MCIONIFRSA-N 1 0 347.419 1.039 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000370174135 155362273 /nfs/dbraw/zinc/36/22/73/155362273.db2.gz PVTAKFJQYNLNAV-JSGCOSHPSA-N 1 0 339.417 1.530 20 5 EDBDRO O=C(CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000363721007 153039271 /nfs/dbraw/zinc/03/92/71/153039271.db2.gz KRZMGQWFEPSMMT-CVEARBPZSA-N 1 0 348.403 1.064 20 5 EDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCN(c2cccnn2)CC1 ZINC000363951396 153106425 /nfs/dbraw/zinc/10/64/25/153106425.db2.gz SSZNTCVECDRBOK-UHFFFAOYSA-N 1 0 331.380 1.182 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417189571 304382572 /nfs/dbraw/zinc/38/25/72/304382572.db2.gz XEOWYIRZYWJHCW-CQSZACIVSA-N 1 0 334.376 1.639 20 5 EDBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000364593189 153280669 /nfs/dbraw/zinc/28/06/69/153280669.db2.gz UNUQBCIXVKZBTR-JGPRNRPPSA-N 1 0 333.344 1.460 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000367820404 154283780 /nfs/dbraw/zinc/28/37/80/154283780.db2.gz BUDCIJKBJBQQCG-ZDUSSCGKSA-N 1 0 341.389 1.024 20 5 EDBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000368033695 154377919 /nfs/dbraw/zinc/37/79/19/154377919.db2.gz BAVXAHYSKUYLJV-ZDUSSCGKSA-N 1 0 347.371 1.928 20 5 EDBDRO O=C(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)c1csc([N+](=O)[O-])c1 ZINC000370769475 155645462 /nfs/dbraw/zinc/64/54/62/155645462.db2.gz BQQLNKSANBWTGN-WCQYABFASA-N 1 0 339.417 1.887 20 5 EDBDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000371705158 156070607 /nfs/dbraw/zinc/07/06/07/156070607.db2.gz AHXSJSWHHGVKQI-LXZKKBNFSA-N 1 0 334.372 1.903 20 5 EDBDRO Cc1ccc(NCCCNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000372431749 156386762 /nfs/dbraw/zinc/38/67/62/156386762.db2.gz OYEURIVOLRMAPY-CXAGYDPISA-N 1 0 332.404 1.821 20 5 EDBDRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCO1 ZINC000373946864 157078534 /nfs/dbraw/zinc/07/85/34/157078534.db2.gz JOVAFCXRQHVPRQ-NSHDSACASA-N 1 0 339.417 1.982 20 5 EDBDRO O=C1[C@H]([N@@H+]2CCCC[C@H](CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374045120 157120374 /nfs/dbraw/zinc/12/03/74/157120374.db2.gz WEROYXAFXZQHAF-XJKSGUPXSA-N 1 0 333.388 1.795 20 5 EDBDRO CC1(C)C[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CO1 ZINC000417934204 304434146 /nfs/dbraw/zinc/43/41/46/304434146.db2.gz PBQLBDTUHHALFQ-LLVKDONJSA-N 1 0 343.405 1.030 20 5 EDBDRO Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000352140323 162006584 /nfs/dbraw/zinc/00/65/84/162006584.db2.gz KRYJTJXKNQMGBG-AWEZNQCLSA-N 1 0 343.387 1.878 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[NH2+]1 ZINC000418083919 304456290 /nfs/dbraw/zinc/45/62/90/304456290.db2.gz NMMKZEBHNKRWGP-ZJUUUORDSA-N 1 0 332.364 1.411 20 5 EDBDRO CC[NH+]1CCN(CC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000119778340 287355971 /nfs/dbraw/zinc/35/59/71/287355971.db2.gz PWUHVGALFNQXLJ-UHFFFAOYSA-N 1 0 332.404 1.117 20 5 EDBDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000159940641 225306771 /nfs/dbraw/zinc/30/67/71/225306771.db2.gz JRWADCYGABLQAX-ZDUSSCGKSA-N 1 0 329.360 1.712 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000122201957 222036190 /nfs/dbraw/zinc/03/61/90/222036190.db2.gz DVBPXTUMYGORHZ-LBPRGKRZSA-N 1 0 337.376 1.636 20 5 EDBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCC[NH2+]C1 ZINC000124174028 222387282 /nfs/dbraw/zinc/38/72/82/222387282.db2.gz FEKAOVMIPVNTQF-NSHDSACASA-N 1 0 327.768 1.885 20 5 EDBDRO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000152863083 287617639 /nfs/dbraw/zinc/61/76/39/287617639.db2.gz TXZZINRJNBOLGO-VXGBXAGGSA-N 1 0 327.406 1.527 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]C[C@H]2CCSC2)c1 ZINC000278509880 273264552 /nfs/dbraw/zinc/26/45/52/273264552.db2.gz ORENKJHPCJVLSO-LLVKDONJSA-N 1 0 345.446 1.216 20 5 EDBDRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000189140060 267770812 /nfs/dbraw/zinc/77/08/12/267770812.db2.gz NJFPRCBLLSJGLJ-UHFFFAOYSA-N 1 0 333.435 1.761 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]12 ZINC000273367146 268036234 /nfs/dbraw/zinc/03/62/34/268036234.db2.gz CFFNTWLGQWYIBM-ADEWGFFLSA-N 1 0 333.344 1.175 20 5 EDBDRO C[C@@]1(CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCC[NH2+]C1 ZINC000273046142 273025758 /nfs/dbraw/zinc/02/57/58/273025758.db2.gz WAJRDLIFXHBRSZ-MRXNPFEDSA-N 1 0 344.375 1.295 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)C1CCOCC1 ZINC000275494853 268351206 /nfs/dbraw/zinc/35/12/06/268351206.db2.gz GGLMSCHGUWXMNF-UHFFFAOYSA-N 1 0 337.376 1.315 20 5 EDBDRO C[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000275565630 268361639 /nfs/dbraw/zinc/36/16/39/268361639.db2.gz OCDWHVOOEWGALA-VXGBXAGGSA-N 1 0 343.387 1.803 20 5 EDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC([NH2+]C2CC2)CC1 ZINC000276371898 268418948 /nfs/dbraw/zinc/41/89/48/268418948.db2.gz XIFFIQYFTAEVIK-UHFFFAOYSA-N 1 0 339.417 1.719 20 5 EDBDRO C[NH+](C)C1(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000273445909 273040494 /nfs/dbraw/zinc/04/04/94/273040494.db2.gz CKNPADMPNMPMRH-UHFFFAOYSA-N 1 0 341.433 1.889 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000273743572 273051986 /nfs/dbraw/zinc/05/19/86/273051986.db2.gz VXTXVILWWBMMRH-IUODEOHRSA-N 1 0 339.417 1.451 20 5 EDBDRO CS[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000273862114 273058140 /nfs/dbraw/zinc/05/81/40/273058140.db2.gz ONTDUQBXMNLZAX-NWDGAFQWSA-N 1 0 325.394 1.499 20 5 EDBDRO Cc1nn(C)c(-c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)c1[N+](=O)[O-] ZINC000274146247 273072387 /nfs/dbraw/zinc/07/23/87/273072387.db2.gz YNDBNFNPPHCJSW-VHSXEESVSA-N 1 0 334.336 1.222 20 5 EDBDRO CCOc1cc(CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000276940724 273170740 /nfs/dbraw/zinc/17/07/40/273170740.db2.gz SDBMVWYFUXMTNH-KBPBESRZSA-N 1 0 337.420 1.880 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000276942224 273170994 /nfs/dbraw/zinc/17/09/94/273170994.db2.gz AWNNURYEMOLMDF-LBPRGKRZSA-N 1 0 341.433 1.919 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278948563 273275272 /nfs/dbraw/zinc/27/52/72/273275272.db2.gz GXCQVHRPYOYZQY-GFCCVEGCSA-N 1 0 329.360 1.367 20 5 EDBDRO COc1ccc(C[NH2+]CC2(OCCO)CCOCC2)cc1[N+](=O)[O-] ZINC000282656705 273695692 /nfs/dbraw/zinc/69/56/92/273695692.db2.gz LPJKUZOGXVRRKE-UHFFFAOYSA-N 1 0 340.376 1.251 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000284377907 274180922 /nfs/dbraw/zinc/18/09/22/274180922.db2.gz FJUABELIAONCAR-FMKPAKJESA-N 1 0 336.388 1.978 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000268306753 274723977 /nfs/dbraw/zinc/72/39/77/274723977.db2.gz YHCXJGIUEZLKFY-WCQYABFASA-N 1 0 327.406 1.474 20 5 EDBDRO Cc1nc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000362395302 274842074 /nfs/dbraw/zinc/84/20/74/274842074.db2.gz IJEWUZJZAOQHJR-UKRRQHHQSA-N 1 0 333.436 1.760 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCN([C@H]3CC[NH2+]C3)CC2)c2ncccc12 ZINC000261598846 275036419 /nfs/dbraw/zinc/03/64/19/275036419.db2.gz APKIRZNZKRAEDC-ZDUSSCGKSA-N 1 0 327.388 1.627 20 5 EDBDRO CCCC[C@H](COC)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000268878643 275985422 /nfs/dbraw/zinc/98/54/22/275985422.db2.gz HSBJJDRNZYPNCY-FVQBIDKESA-N 1 0 326.393 1.784 20 5 EDBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000412415124 276024964 /nfs/dbraw/zinc/02/49/64/276024964.db2.gz CGOYSRXMXBGRBW-CQSZACIVSA-N 1 0 349.435 1.805 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000102184148 276131003 /nfs/dbraw/zinc/13/10/03/276131003.db2.gz UXZIMQUTLNIQMH-UHFFFAOYSA-N 1 0 343.405 1.366 20 5 EDBDRO CCOC(=O)c1ccnc(N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000272196666 276300582 /nfs/dbraw/zinc/30/05/82/276300582.db2.gz NTGOUVKFKFGYPS-AAEUAGOBSA-N 1 0 334.376 1.697 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000420263400 277436771 /nfs/dbraw/zinc/43/67/71/277436771.db2.gz SKWTVEPLTMPLSV-GFCCVEGCSA-N 1 0 334.376 1.602 20 5 EDBDRO Cc1[nH]nc(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)c1[N+](=O)[O-] ZINC000286468610 288013646 /nfs/dbraw/zinc/01/36/46/288013646.db2.gz IMINHEVTVWJRKB-UHFFFAOYSA-N 1 0 335.364 1.813 20 5 EDBDRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000337311627 278113602 /nfs/dbraw/zinc/11/36/02/278113602.db2.gz VHJRZVZHLZSLPV-GXTWGEPZSA-N 1 0 327.406 1.402 20 5 EDBDRO C[C@@H](CN1CCOCC1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000091514442 278264538 /nfs/dbraw/zinc/26/45/38/278264538.db2.gz XENDNFMJNKZFGI-KBPBESRZSA-N 1 0 335.408 1.197 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000366427524 279157961 /nfs/dbraw/zinc/15/79/61/279157961.db2.gz IWIZRCNZTIOKEU-DAXOMENPSA-N 1 0 348.403 1.622 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000262536402 280358503 /nfs/dbraw/zinc/35/85/03/280358503.db2.gz QLOUARNTSDXFLH-NXEZZACHSA-N 1 0 345.808 1.478 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)c(Cl)c1 ZINC000070120692 280369702 /nfs/dbraw/zinc/36/97/02/280369702.db2.gz QHUCFNMDUDVUEI-SECBINFHSA-N 1 0 333.797 1.669 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000376454207 280372633 /nfs/dbraw/zinc/37/26/33/280372633.db2.gz JXDMYHXSBWYBMS-GXSJLCMTSA-N 1 0 345.808 1.621 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289667165 288755973 /nfs/dbraw/zinc/75/59/73/288755973.db2.gz DAHNKFKFNFCPEE-LBPRGKRZSA-N 1 0 338.795 1.368 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291797689 289183302 /nfs/dbraw/zinc/18/33/02/289183302.db2.gz MZFSSIPJVKFGQY-SFHVURJKSA-N 1 0 343.383 1.393 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291889526 289207023 /nfs/dbraw/zinc/20/70/23/289207023.db2.gz QPSHGWAJFUTVAE-UONOGXRCSA-N 1 0 332.360 1.478 20 5 EDBDRO COC(=O)Cn1cc(CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])nn1 ZINC000292103573 289261817 /nfs/dbraw/zinc/26/18/17/289261817.db2.gz IGTPSBPQQZZSRZ-UHFFFAOYSA-N 1 0 347.375 1.427 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1(CO)CCC1 ZINC000292116328 289265270 /nfs/dbraw/zinc/26/52/70/289265270.db2.gz JOHDCFUIVLKGBS-UHFFFAOYSA-N 1 0 337.376 1.779 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292119264 289265723 /nfs/dbraw/zinc/26/57/23/289265723.db2.gz WLZWQDUTSMLLHV-HNNXBMFYSA-N 1 0 339.417 1.620 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H](C)C[NH+](C)C ZINC000292620661 289396849 /nfs/dbraw/zinc/39/68/49/289396849.db2.gz LZGJACJGGBNQNH-JTQLQIEISA-N 1 0 329.422 1.688 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000372834956 447308169 /nfs/dbraw/zinc/30/81/69/447308169.db2.gz AJCPSBLSPQGRSD-INIZCTEOSA-N 1 0 348.447 1.954 20 5 EDBDRO C[C@]1(C[NH3+])CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000261739237 300794817 /nfs/dbraw/zinc/79/48/17/300794817.db2.gz KJWBTYJMOYGVBX-GFCCVEGCSA-N 1 0 333.797 1.608 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000249514002 301197351 /nfs/dbraw/zinc/19/73/51/301197351.db2.gz ISFVPRAMYOYBHO-YNEHKIRRSA-N 1 0 339.417 1.569 20 5 EDBDRO CC1(C)CN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000420279240 304742674 /nfs/dbraw/zinc/74/26/74/304742674.db2.gz OXDJXPVZPGCLMV-UHFFFAOYSA-N 1 0 348.403 1.255 20 5 EDBDRO C[C@@H]([NH3+])C1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000420294348 304744022 /nfs/dbraw/zinc/74/40/22/304744022.db2.gz OKHADAVDAJBBEY-GFCCVEGCSA-N 1 0 341.433 1.428 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000261952172 302043124 /nfs/dbraw/zinc/04/31/24/302043124.db2.gz NFNMDIJFYIWHFC-LBPRGKRZSA-N 1 0 327.406 1.653 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000160493073 302923082 /nfs/dbraw/zinc/92/30/82/302923082.db2.gz XUBXQWYVEHXDLV-LLVKDONJSA-N 1 0 349.416 1.957 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(OC)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000293789845 303019002 /nfs/dbraw/zinc/01/90/02/303019002.db2.gz CNLTTXUJECIIEV-JKSUJKDBSA-N 1 0 349.387 1.539 20 5 EDBDRO CO[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC1 ZINC000294720551 303138969 /nfs/dbraw/zinc/13/89/69/303138969.db2.gz WFEWGORUXKOOGX-OAHLLOKOSA-N 1 0 330.344 1.935 20 5 EDBDRO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000295020521 303163531 /nfs/dbraw/zinc/16/35/31/303163531.db2.gz HJMUEVLDHPWBAC-LLVKDONJSA-N 1 0 327.768 1.651 20 5 EDBDRO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c(N)c([N+](=O)[O-])c1 ZINC000295604241 303240811 /nfs/dbraw/zinc/24/08/11/303240811.db2.gz XJRGTNCYMCPVJD-GFCCVEGCSA-N 1 0 336.392 1.062 20 5 EDBDRO COCCOC[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000295609533 303241752 /nfs/dbraw/zinc/24/17/52/303241752.db2.gz VFIZXIUQWMMJTL-INIZCTEOSA-N 1 0 326.393 1.829 20 5 EDBDRO COC(=O)COc1ccc(CNC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414854379 447329294 /nfs/dbraw/zinc/32/92/94/447329294.db2.gz LTZHHBWLLHPABA-CYBMUJFWSA-N 1 0 337.376 1.236 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C[C@@H]21 ZINC000261876780 303462184 /nfs/dbraw/zinc/46/21/84/303462184.db2.gz MAJKUNNXCSWNSE-JFGNBEQYSA-N 1 0 343.380 1.482 20 5 EDBDRO COC[C@@](C)(CCO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298715040 303548851 /nfs/dbraw/zinc/54/88/51/303548851.db2.gz UHCSCXXOMFQSPF-OAHLLOKOSA-N 1 0 325.365 1.301 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(N3CCC[C@H](C[NH+]4CCOCC4)C3)nn21 ZINC000301891230 303701996 /nfs/dbraw/zinc/70/19/96/303701996.db2.gz UQPGWKPJKMKABY-CYBMUJFWSA-N 1 0 346.391 1.186 20 5 EDBDRO C[NH+](C)[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CC1 ZINC000301984172 303706444 /nfs/dbraw/zinc/70/64/44/303706444.db2.gz KLJZJHJIRLDMKM-SNVBAGLBSA-N 1 0 333.435 1.812 20 5 EDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3nnnn3CC1)CCC2 ZINC000421879674 304817159 /nfs/dbraw/zinc/81/71/59/304817159.db2.gz PKDGWOBKPCTBOJ-SWLSCSKDSA-N 1 0 328.376 1.953 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423992985 304923454 /nfs/dbraw/zinc/92/34/54/304923454.db2.gz GVTHZSIQAZJHLX-ZWNOBZJWSA-N 1 0 335.360 1.438 20 5 EDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000424007206 304924541 /nfs/dbraw/zinc/92/45/41/304924541.db2.gz BSXZHRNIOLDAMJ-YPMHNXCESA-N 1 0 339.417 1.652 20 5 EDBDRO C[C@H]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C[NH3+] ZINC000424017101 304925362 /nfs/dbraw/zinc/92/53/62/304925362.db2.gz ORISKECJHXDREO-WCQYABFASA-N 1 0 349.387 1.352 20 5 EDBDRO COc1ccc(NC(=O)CCN2CC[C@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000428032575 305004592 /nfs/dbraw/zinc/00/45/92/305004592.db2.gz KJMLAUBTSQPNFD-GXTWGEPZSA-N 1 0 348.403 1.616 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428041354 305005168 /nfs/dbraw/zinc/00/51/68/305005168.db2.gz HWHUIQBBWPGUIL-JSGCOSHPSA-N 1 0 348.403 1.616 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000428547042 305011311 /nfs/dbraw/zinc/01/13/11/305011311.db2.gz LJULKOLBOVTGCD-CYBMUJFWSA-N 1 0 345.359 1.147 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000429148392 305024685 /nfs/dbraw/zinc/02/46/85/305024685.db2.gz DFSLOJHDSMNXRJ-JSGCOSHPSA-N 1 0 348.403 1.301 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@](C)(CN)C(C)C ZINC000430589794 305057480 /nfs/dbraw/zinc/05/74/80/305057480.db2.gz JAOPCWSPPQXGNF-INIZCTEOSA-N 1 0 338.408 1.895 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC([C@H](C)[NH3+])CC1 ZINC000430933625 305069030 /nfs/dbraw/zinc/06/90/30/305069030.db2.gz LJZJGJCBWVJFJS-NSHDSACASA-N 1 0 336.392 1.601 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]CCC2CC(O)C2)cc1[N+](=O)[O-] ZINC000432360409 305092110 /nfs/dbraw/zinc/09/21/10/305092110.db2.gz VOCQDPANUMUDAG-UHFFFAOYSA-N 1 0 338.360 1.397 20 5 EDBDRO O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435230260 305137274 /nfs/dbraw/zinc/13/72/74/305137274.db2.gz BNYYMXJBAQAPCZ-ZDUSSCGKSA-N 1 0 342.359 1.142 20 5 EDBDRO CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[NH2+]CC1 ZINC000435611451 305143272 /nfs/dbraw/zinc/14/32/72/305143272.db2.gz SGBCELWMXAUALP-CQSZACIVSA-N 1 0 332.404 1.558 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000440746146 305212198 /nfs/dbraw/zinc/21/21/98/305212198.db2.gz JRDCWFZJIJRVFJ-HNNXBMFYSA-N 1 0 339.417 1.586 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000441238013 305219343 /nfs/dbraw/zinc/21/93/43/305219343.db2.gz XRLPWHVHCQRLOX-JSGCOSHPSA-N 1 0 347.419 1.931 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441275958 305220196 /nfs/dbraw/zinc/22/01/96/305220196.db2.gz IWDSOBLJHRAXKH-UKRRQHHQSA-N 1 0 333.388 1.942 20 5 EDBDRO C[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000443778499 305241159 /nfs/dbraw/zinc/24/11/59/305241159.db2.gz HJHMSIMFVVAZMZ-SMDDNHRTSA-N 1 0 327.406 1.307 20 5 EDBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)Cn3ccc([N+](=O)[O-])n3)cccc21 ZINC000447721398 305284415 /nfs/dbraw/zinc/28/44/15/305284415.db2.gz FWIDSVGRVADXDW-CYBMUJFWSA-N 1 0 345.359 1.815 20 5 EDBDRO O=C(NCC[NH+]1CCCC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448604932 305299489 /nfs/dbraw/zinc/29/94/89/305299489.db2.gz JWHAYLAKSOPDCU-UHFFFAOYSA-N 1 0 329.360 1.811 20 5 EDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000449153488 305308097 /nfs/dbraw/zinc/30/80/97/305308097.db2.gz DMXBUUUHJPFFRN-WFASDCNBSA-N 1 0 343.387 1.654 20 5 EDBDRO CC[C@H]1C[N@H+](CC)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451734046 305365694 /nfs/dbraw/zinc/36/56/94/305365694.db2.gz WIBRUROLZVDXTD-HNNXBMFYSA-N 1 0 346.431 1.900 20 5 EDBDRO CC1(C)COC[C@@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000451823767 305370980 /nfs/dbraw/zinc/37/09/80/305370980.db2.gz KRPMGLZYOLYFOV-ZDUSSCGKSA-N 1 0 337.332 1.277 20 5 EDBDRO CNc1nc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000455997012 305449311 /nfs/dbraw/zinc/44/93/11/305449311.db2.gz JNPYAQSPOASSOY-ZDUSSCGKSA-N 1 0 347.419 1.835 20 5 EDBDRO C[C@@H](CNc1c2ccccc2ncc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000488071855 305555895 /nfs/dbraw/zinc/55/58/95/305555895.db2.gz YVFJHLVXGGILGV-ZDUSSCGKSA-N 1 0 330.388 1.945 20 5 EDBDRO C[C@H](C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000519740103 305774026 /nfs/dbraw/zinc/77/40/26/305774026.db2.gz OLTCWWLZWRQWJA-YOEHRIQHSA-N 1 0 349.431 1.907 20 5 EDBDRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)c1 ZINC000532139032 305974827 /nfs/dbraw/zinc/97/48/27/305974827.db2.gz PKZAYNFDMXTWLZ-UHFFFAOYSA-N 1 0 343.343 1.356 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000535020983 306011000 /nfs/dbraw/zinc/01/10/00/306011000.db2.gz YKISFBCCMXQPBQ-HIFRSBDPSA-N 1 0 349.435 1.031 20 5 EDBDRO CN(C)[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000551888010 306165672 /nfs/dbraw/zinc/16/56/72/306165672.db2.gz CKNGGWPWQBLISI-GDBMZVCRSA-N 1 0 349.387 1.820 20 5 EDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccn([C@H]2CC[NH2+]C2)n1 ZINC000493717054 447375329 /nfs/dbraw/zinc/37/53/29/447375329.db2.gz MEWBWMMYRHGDLC-GFUIURDCSA-N 1 0 327.344 1.978 20 5 EDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC([NH3+])C1 ZINC000449629261 447379415 /nfs/dbraw/zinc/37/94/15/447379415.db2.gz FJYQEKBLVJXISU-UHFFFAOYSA-N 1 0 342.193 1.848 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000419757480 447397689 /nfs/dbraw/zinc/39/76/89/447397689.db2.gz IRQHOOTVPMWMDF-GFCCVEGCSA-N 1 0 348.403 1.105 20 5 EDBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000047270971 441172206 /nfs/dbraw/zinc/17/22/06/441172206.db2.gz XBBFBQACFQOMQO-CQSZACIVSA-N 1 0 349.435 1.990 20 5 EDBDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000048721656 441327028 /nfs/dbraw/zinc/32/70/28/441327028.db2.gz CHYXHKZSRXZXFH-UHFFFAOYSA-N 1 0 348.403 1.914 20 5 EDBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000108300241 441441257 /nfs/dbraw/zinc/44/12/57/441441257.db2.gz ZYXANDJNRJAFRK-LBPRGKRZSA-N 1 0 349.387 1.826 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000108339693 441447262 /nfs/dbraw/zinc/44/72/62/441447262.db2.gz STZTXNNHERTPHU-ZDUSSCGKSA-N 1 0 343.387 1.852 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108338632 441448024 /nfs/dbraw/zinc/44/80/24/441448024.db2.gz UGECQEVEBNBRGV-CHWSQXEVSA-N 1 0 348.403 1.171 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000066640943 441556723 /nfs/dbraw/zinc/55/67/23/441556723.db2.gz JLWPSALAEYIHKX-LBPRGKRZSA-N 1 0 349.387 1.826 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000066641875 441556903 /nfs/dbraw/zinc/55/69/03/441556903.db2.gz CSPXKUQMQQTWSL-LBPRGKRZSA-N 1 0 349.387 1.828 20 5 EDBDRO CC[N@H+](C)CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000112926556 441570306 /nfs/dbraw/zinc/57/03/06/441570306.db2.gz IHZARKIKSAFURS-UHFFFAOYSA-N 1 0 331.376 1.677 20 5 EDBDRO COc1cc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)ccc1O ZINC000090526460 441632445 /nfs/dbraw/zinc/63/24/45/441632445.db2.gz SHSHCJGULBIRRP-UHFFFAOYSA-N 1 0 333.344 1.603 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC000055242283 441632935 /nfs/dbraw/zinc/63/29/35/441632935.db2.gz QPQFOJBMUOPJPP-QWHCGFSZSA-N 1 0 343.380 1.639 20 5 EDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](CCO)c1ccccc1 ZINC000090550918 441633949 /nfs/dbraw/zinc/63/39/49/441633949.db2.gz RIPYJVFVPWSKGN-MRXNPFEDSA-N 1 0 331.372 1.812 20 5 EDBDRO C[C@@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C[NH+]1CCN(C)CC1 ZINC000114379237 441651012 /nfs/dbraw/zinc/65/10/12/441651012.db2.gz SLXVNXVNVRVLAW-PXTSUWAFSA-N 1 0 346.431 1.608 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000114398963 441653204 /nfs/dbraw/zinc/65/32/04/441653204.db2.gz UZAJHTJYMHRWTQ-CYBMUJFWSA-N 1 0 343.387 1.804 20 5 EDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@]1(O)CCSC1 ZINC000158197114 441704556 /nfs/dbraw/zinc/70/45/56/441704556.db2.gz CAENPKMOKSOALL-XHDPSFHLSA-N 1 0 339.417 1.770 20 5 EDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000173509235 441773719 /nfs/dbraw/zinc/77/37/19/441773719.db2.gz DMBSEVNZNXEHNH-CQSZACIVSA-N 1 0 334.420 1.879 20 5 EDBDRO COCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000138637149 441795679 /nfs/dbraw/zinc/79/56/79/441795679.db2.gz FXYJKJVBYJSCIR-UHFFFAOYSA-N 1 0 325.340 1.575 20 5 EDBDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000160610540 441902184 /nfs/dbraw/zinc/90/21/84/441902184.db2.gz QGUVZWGCEXIGHO-UHFFFAOYSA-N 1 0 341.795 1.682 20 5 EDBDRO COc1ccc(C(=O)NCC2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000160698497 441910328 /nfs/dbraw/zinc/91/03/28/441910328.db2.gz UYNKXDGJJMCKCN-UHFFFAOYSA-N 1 0 337.376 1.038 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000160488410 441888459 /nfs/dbraw/zinc/88/84/59/441888459.db2.gz YIMQFGNOJFJKME-CYBMUJFWSA-N 1 0 331.376 1.231 20 5 EDBDRO CCOC(=O)c1ccnc(N2CCC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000077939342 441889163 /nfs/dbraw/zinc/88/91/63/441889163.db2.gz GYPGSXMLPOIJFQ-GFCCVEGCSA-N 1 0 334.376 1.841 20 5 EDBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000069137261 441897481 /nfs/dbraw/zinc/89/74/81/441897481.db2.gz LQOOZRKAWGNMQF-GFCCVEGCSA-N 1 0 327.406 1.605 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000146603615 441898730 /nfs/dbraw/zinc/89/87/30/441898730.db2.gz TYCQCEBXOXKVIS-OAHLLOKOSA-N 1 0 339.417 1.595 20 5 EDBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000151063415 441999682 /nfs/dbraw/zinc/99/96/82/441999682.db2.gz PKPVKILSZULDHO-GFCCVEGCSA-N 1 0 336.396 1.107 20 5 EDBDRO CC[C@@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)[NH+](C)C ZINC000125304054 442006790 /nfs/dbraw/zinc/00/67/90/442006790.db2.gz VXOBDYHBWOEDHP-HNNXBMFYSA-N 1 0 348.403 1.219 20 5 EDBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000161653217 442019999 /nfs/dbraw/zinc/01/99/99/442019999.db2.gz IDNVSRLKUJWBKC-CYBMUJFWSA-N 1 0 337.424 1.621 20 5 EDBDRO NC(=O)C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000175269802 442030409 /nfs/dbraw/zinc/03/04/09/442030409.db2.gz WTSJKCRABIAMRP-LBPRGKRZSA-N 1 0 334.376 1.511 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000162103825 442063821 /nfs/dbraw/zinc/06/38/21/442063821.db2.gz IKUQSWPUGPQUEC-LLVKDONJSA-N 1 0 345.396 1.805 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000162125960 442066256 /nfs/dbraw/zinc/06/62/56/442066256.db2.gz HITYFUYTXSRAFV-AWEZNQCLSA-N 1 0 341.433 1.541 20 5 EDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000163154982 442147442 /nfs/dbraw/zinc/14/74/42/442147442.db2.gz GSWOKHKOJJAXEG-NOZJJQNGSA-N 1 0 325.390 1.505 20 5 EDBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000176057626 442168309 /nfs/dbraw/zinc/16/83/09/442168309.db2.gz LCMDOOVWJKUSIN-LLVKDONJSA-N 1 0 343.380 1.511 20 5 EDBDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176221310 442195105 /nfs/dbraw/zinc/19/51/05/442195105.db2.gz BWMZIRQXKVXPSA-KBPBESRZSA-N 1 0 337.424 1.808 20 5 EDBDRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176239172 442198337 /nfs/dbraw/zinc/19/83/37/442198337.db2.gz IAUGVYHSPKAQCQ-NSHDSACASA-N 1 0 327.385 1.636 20 5 EDBDRO C[C@@H]1C[C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000164769806 442201795 /nfs/dbraw/zinc/20/17/95/442201795.db2.gz AMDOTMBBLCIKSE-OCCSQVGLSA-N 1 0 343.387 1.958 20 5 EDBDRO CC[N@@H+]1CCC[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000152069048 442161581 /nfs/dbraw/zinc/16/15/81/442161581.db2.gz ZAOVNRXJSTXCOI-ZDUSSCGKSA-N 1 0 327.406 1.499 20 5 EDBDRO C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)N1CC[NH+](C)CC1 ZINC000171216403 442329506 /nfs/dbraw/zinc/32/95/06/442329506.db2.gz DBCCZBROBFZROL-LBPRGKRZSA-N 1 0 347.419 1.527 20 5 EDBDRO CC(C)(O)C[NH+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000177482782 442347902 /nfs/dbraw/zinc/34/79/02/442347902.db2.gz CVOUMRGVJSJQAW-UHFFFAOYSA-N 1 0 336.392 1.193 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN(C)CCOC ZINC000155521599 442404878 /nfs/dbraw/zinc/40/48/78/442404878.db2.gz MIIKBBZZNHGTCD-UHFFFAOYSA-N 1 0 345.421 1.014 20 5 EDBDRO NC(=O)c1ccc(C[NH+]2CCC(OCCCO)CC2)c([N+](=O)[O-])c1 ZINC000154899716 442362798 /nfs/dbraw/zinc/36/27/98/442362798.db2.gz DIQLJHVFFMIEPC-UHFFFAOYSA-N 1 0 337.376 1.057 20 5 EDBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000155676859 442418132 /nfs/dbraw/zinc/41/81/32/442418132.db2.gz BWMGMAXORRJUAO-KRWDZBQOSA-N 1 0 341.371 1.606 20 5 EDBDRO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000134254569 442462076 /nfs/dbraw/zinc/46/20/76/442462076.db2.gz JARMEXYVNVIPTF-PVUWLOKVSA-N 1 0 346.387 1.476 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](CCO)Cc2cccnc2)c1 ZINC000156891326 442530119 /nfs/dbraw/zinc/53/01/19/442530119.db2.gz ALQKGKLHBKDGCJ-MRXNPFEDSA-N 1 0 347.371 1.224 20 5 EDBDRO O=[N+]([O-])c1cnn(CCN2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000157506268 442589814 /nfs/dbraw/zinc/58/98/14/442589814.db2.gz VSPLJWJLLIFJTO-UHFFFAOYSA-N 1 0 329.404 1.652 20 5 EDBDRO CC[NH+]1CCN(CCCNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173088148 442601113 /nfs/dbraw/zinc/60/11/13/442601113.db2.gz XMDVNXYFWCKTDH-UHFFFAOYSA-N 1 0 334.420 1.281 20 5 EDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000186743390 442603335 /nfs/dbraw/zinc/60/33/35/442603335.db2.gz NFQNXULQMWKFSF-LBPRGKRZSA-N 1 0 336.392 1.904 20 5 EDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000186959817 442636568 /nfs/dbraw/zinc/63/65/68/442636568.db2.gz XJYHKWHKOHFISD-HSBSLETESA-N 1 0 347.415 1.912 20 5 EDBDRO C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)C[C@H]2C1 ZINC000192464625 442649599 /nfs/dbraw/zinc/64/95/99/442649599.db2.gz LLJVJSMVMYZZTM-OZVIIMIRSA-N 1 0 344.371 1.108 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1cncs1 ZINC000136162831 442653517 /nfs/dbraw/zinc/65/35/17/442653517.db2.gz DBTSTFGULDGERG-UHFFFAOYSA-N 1 0 342.402 1.119 20 5 EDBDRO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000187931741 442699053 /nfs/dbraw/zinc/69/90/53/442699053.db2.gz DAILSIVPJJDSLB-SCLBCKFNSA-N 1 0 347.415 1.967 20 5 EDBDRO Cc1ccc([C@H](C)[NH2+]CCN2C(=O)NC(C)(C)C2=O)cc1[N+](=O)[O-] ZINC000181813028 442717728 /nfs/dbraw/zinc/71/77/28/442717728.db2.gz CIMUIWLFKUJERS-NSHDSACASA-N 1 0 334.376 1.884 20 5 EDBDRO COC(=O)CC[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000182113048 442737184 /nfs/dbraw/zinc/73/71/84/442737184.db2.gz PHMKEIWLLFTHMS-ZDUSSCGKSA-N 1 0 335.404 1.972 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188677285 442786723 /nfs/dbraw/zinc/78/67/23/442786723.db2.gz KIQNCGAKVQWANE-UHFFFAOYSA-N 1 0 327.340 1.893 20 5 EDBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000182879177 442840264 /nfs/dbraw/zinc/84/02/64/442840264.db2.gz GVJNAHPIVNQQOH-LLVKDONJSA-N 1 0 345.396 1.615 20 5 EDBDRO C[S@](=O)C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000183197964 442900308 /nfs/dbraw/zinc/90/03/08/442900308.db2.gz LYYOQCYCSVNPAE-MYYSRTQBSA-N 1 0 349.412 1.466 20 5 EDBDRO C[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000268189503 442890488 /nfs/dbraw/zinc/89/04/88/442890488.db2.gz DOHGPHDVTYRQFG-SMDDNHRTSA-N 1 0 327.406 1.307 20 5 EDBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000268434363 442988080 /nfs/dbraw/zinc/98/80/80/442988080.db2.gz DPRRMIQQGQWJTB-UHFFFAOYSA-N 1 0 339.367 1.699 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC[NH+]1CCC(O)CC1 ZINC000297001591 318742817 /nfs/dbraw/zinc/74/28/17/318742817.db2.gz QKMKZGLHSRAEKH-UHFFFAOYSA-N 1 0 341.795 1.364 20 5 EDBDRO CC(C)OC(=O)C[C@H](NC(=O)CCC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000236767852 443146772 /nfs/dbraw/zinc/14/67/72/443146772.db2.gz BSEHRGRWUYBTGK-ZDUSSCGKSA-N 1 0 337.376 1.833 20 5 EDBDRO C[C@H]1C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000298285189 318806800 /nfs/dbraw/zinc/80/68/00/318806800.db2.gz AWPIWLRQLRTZMU-QWRGUYRKSA-N 1 0 327.406 1.885 20 5 EDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000255524619 443101364 /nfs/dbraw/zinc/10/13/64/443101364.db2.gz BHCDRKIGBCAHMA-JEZWAEDTSA-N 1 0 347.415 1.961 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000268826283 443119880 /nfs/dbraw/zinc/11/98/80/443119880.db2.gz VEIKZXILZMQOPT-ZDUSSCGKSA-N 1 0 327.406 1.618 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000269166529 443219550 /nfs/dbraw/zinc/21/95/50/443219550.db2.gz DCIRSJHPEZLTRQ-OBJOEFQTSA-N 1 0 348.403 1.217 20 5 EDBDRO Cc1c(C(=O)NC[C@@H]([NH3+])C(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000269248154 443249572 /nfs/dbraw/zinc/24/95/72/443249572.db2.gz FHYFPJDBFVESMM-CYBMUJFWSA-N 1 0 332.364 1.197 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397403150 319134146 /nfs/dbraw/zinc/13/41/46/319134146.db2.gz KPWUKCFLNNVRDI-AGIUHOORSA-N 1 0 341.433 1.897 20 5 EDBDRO COc1ccc(NC(=O)CC[NH2+][C@@](C)(CO)C(C)C)c([N+](=O)[O-])c1 ZINC000411752133 319200783 /nfs/dbraw/zinc/20/07/83/319200783.db2.gz TYFJJTKBUFPOGP-INIZCTEOSA-N 1 0 339.392 1.929 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000191331803 443279356 /nfs/dbraw/zinc/27/93/56/443279356.db2.gz OGCWKYQDRUZPDM-CQSZACIVSA-N 1 0 349.435 1.969 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+](C)C1CC1 ZINC000269287429 443267612 /nfs/dbraw/zinc/26/76/12/443267612.db2.gz MWMUEIYXUWJTKG-UHFFFAOYSA-N 1 0 347.824 1.929 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000272493286 443338416 /nfs/dbraw/zinc/33/84/16/443338416.db2.gz NEASOYZIEYZUHJ-KBPBESRZSA-N 1 0 335.408 1.351 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCSC2)cc1 ZINC000278658804 443392959 /nfs/dbraw/zinc/39/29/59/443392959.db2.gz GMCNKGKXFVJUEO-LLVKDONJSA-N 1 0 330.431 1.711 20 5 EDBDRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269656851 443382459 /nfs/dbraw/zinc/38/24/59/443382459.db2.gz OTDOFTOIPKJBDV-NVXWUHKLSA-N 1 0 347.415 1.866 20 5 EDBDRO C[N@@H+]1CC[C@@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000264716434 443389012 /nfs/dbraw/zinc/38/90/12/443389012.db2.gz GYNKUBWEAWGNIW-VIFPVBQESA-N 1 0 349.359 1.955 20 5 EDBDRO Cc1n[nH]c(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000264769093 443416199 /nfs/dbraw/zinc/41/61/99/443416199.db2.gz OCJKWNGSYXPPLN-LLVKDONJSA-N 1 0 331.376 1.877 20 5 EDBDRO COc1cc(OCC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000272752157 443433047 /nfs/dbraw/zinc/43/30/47/443433047.db2.gz DZNLPVIDXQSWFQ-GFCCVEGCSA-N 1 0 349.387 1.749 20 5 EDBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000272906197 443485727 /nfs/dbraw/zinc/48/57/27/443485727.db2.gz NAXPPFIMZOIZRH-MFKMUULPSA-N 1 0 342.421 1.383 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N(C)C[C@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000272791345 443446071 /nfs/dbraw/zinc/44/60/71/443446071.db2.gz AVGXLXYVIGKAJT-ZDUSSCGKSA-N 1 0 348.403 1.043 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000267686838 443540863 /nfs/dbraw/zinc/54/08/63/443540863.db2.gz QLRPDOYHXVNYPU-YPMHNXCESA-N 1 0 341.433 1.775 20 5 EDBDRO NS(=O)(=O)C[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000265075663 443524691 /nfs/dbraw/zinc/52/46/91/443524691.db2.gz YFQAKHRZANZLCH-CYBMUJFWSA-N 1 0 327.406 1.138 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc([N+](=O)[O-])c1C ZINC000423637719 319796150 /nfs/dbraw/zinc/79/61/50/319796150.db2.gz RRWJCCVVAZJSJA-AWEZNQCLSA-N 1 0 348.403 1.032 20 5 EDBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000273079701 443533674 /nfs/dbraw/zinc/53/36/74/443533674.db2.gz XHZMXKNOPWQCJQ-MRVPVSSYSA-N 1 0 328.166 1.697 20 5 EDBDRO O=C(NC1CC1)N[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000274015593 443591908 /nfs/dbraw/zinc/59/19/08/443591908.db2.gz ORLUTZOYVBPOQU-AWEZNQCLSA-N 1 0 348.403 1.900 20 5 EDBDRO COc1cc(N2CCC([N@H+](C)CCO)CC2)c(F)cc1[N+](=O)[O-] ZINC000272158290 443543426 /nfs/dbraw/zinc/54/34/26/443543426.db2.gz DUIBCOFALYPFNL-UHFFFAOYSA-N 1 0 327.356 1.635 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000272338252 443596620 /nfs/dbraw/zinc/59/66/20/443596620.db2.gz OKTSUOGSHJALJM-WFASDCNBSA-N 1 0 346.387 1.394 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000432519232 319955673 /nfs/dbraw/zinc/95/56/73/319955673.db2.gz ZRDHJBAAWYVJMN-ZYHUDNBSSA-N 1 0 335.360 1.023 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000447251012 320139993 /nfs/dbraw/zinc/13/99/93/320139993.db2.gz OBWHQXJEERDJAU-AVGNSLFASA-N 1 0 339.417 1.651 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000449642826 320196127 /nfs/dbraw/zinc/19/61/27/320196127.db2.gz HDUAGBLADXFQLV-VXGBXAGGSA-N 1 0 344.375 1.423 20 5 EDBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449729027 320203046 /nfs/dbraw/zinc/20/30/46/320203046.db2.gz YJKRKSLJKUEXHO-KCPJHIHWSA-N 1 0 337.376 1.705 20 5 EDBDRO CC1(C)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]2COC[C@@H]21 ZINC000452112978 320242063 /nfs/dbraw/zinc/24/20/63/320242063.db2.gz ZDZLMTVACMZKPV-CWRNSKLLSA-N 1 0 336.388 1.691 20 5 EDBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286309982 443688307 /nfs/dbraw/zinc/68/83/07/443688307.db2.gz DXBUEVQFWCIINV-ZDUSSCGKSA-N 1 0 336.392 1.137 20 5 EDBDRO O=C([C@H]1CCC[N@@H+]1C1CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000280249417 443682828 /nfs/dbraw/zinc/68/28/28/443682828.db2.gz NCVBMZSLWRFTQN-MRXNPFEDSA-N 1 0 331.372 1.811 20 5 EDBDRO CC(=O)c1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000283724099 443699377 /nfs/dbraw/zinc/69/93/77/443699377.db2.gz GWBVUKYUPYAHBU-CQSZACIVSA-N 1 0 333.388 1.956 20 5 EDBDRO C[N@H+](CCO)C1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000288164542 443791298 /nfs/dbraw/zinc/79/12/98/443791298.db2.gz ZTXOTNNYGDIJDV-UHFFFAOYSA-N 1 0 347.375 1.137 20 5 EDBDRO Cc1c(C(=O)NC[C@H](C)[NH+](C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000298346849 443751390 /nfs/dbraw/zinc/75/13/90/443751390.db2.gz KLJMGFWWKXDABA-JTQLQIEISA-N 1 0 332.364 1.164 20 5 EDBDRO COc1cc(N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000285209603 443896088 /nfs/dbraw/zinc/89/60/88/443896088.db2.gz WYLNXCGVFCLBAN-ZIAGYGMSSA-N 1 0 325.340 1.652 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000285114988 443861477 /nfs/dbraw/zinc/86/14/77/443861477.db2.gz RDWZILLGDRBVMS-DGCLKSJQSA-N 1 0 334.376 1.615 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1 ZINC000292912707 443877301 /nfs/dbraw/zinc/87/73/01/443877301.db2.gz HOJWRBKMQATGNM-CVEARBPZSA-N 1 0 347.375 1.049 20 5 EDBDRO COCC[C@H](CO)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000281424271 443907792 /nfs/dbraw/zinc/90/77/92/443907792.db2.gz BXIHTQHYHSVGMM-WCQYABFASA-N 1 0 325.365 1.299 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000285297351 443931429 /nfs/dbraw/zinc/93/14/29/443931429.db2.gz LRYPGOKAPUVHLB-WDEREUQCSA-N 1 0 329.347 1.760 20 5 EDBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000299152466 443969013 /nfs/dbraw/zinc/96/90/13/443969013.db2.gz MVKPLPSGWSOSMM-TUAOUCFPSA-N 1 0 335.408 1.867 20 5 EDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293324414 443983872 /nfs/dbraw/zinc/98/38/72/443983872.db2.gz IUAKBWGMOFEJQW-CZUORRHYSA-N 1 0 332.404 1.997 20 5 EDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000285482185 444001159 /nfs/dbraw/zinc/00/11/59/444001159.db2.gz ICYZOTLFRSITPJ-WFASDCNBSA-N 1 0 332.404 1.752 20 5 EDBDRO COc1ccc(NC(=O)CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000293537431 444047148 /nfs/dbraw/zinc/04/71/48/444047148.db2.gz XRLMSCJASJEBKH-TXEJJXNPSA-N 1 0 336.392 1.566 20 5 EDBDRO CCC[C@@]1([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000285626461 444053125 /nfs/dbraw/zinc/05/31/25/444053125.db2.gz QYZKVCAQHUGUIG-OAHLLOKOSA-N 1 0 342.417 1.917 20 5 EDBDRO CN(CC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1[N+](=O)[O-] ZINC000289104990 444054626 /nfs/dbraw/zinc/05/46/26/444054626.db2.gz CKNXFNNBIWELJS-KRWDZBQOSA-N 1 0 332.404 1.633 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O ZINC000289199470 444075695 /nfs/dbraw/zinc/07/56/95/444075695.db2.gz BFWYIAHRGHOETQ-WMLDXEAASA-N 1 0 346.387 1.856 20 5 EDBDRO COc1ccc(CC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000564933314 321158870 /nfs/dbraw/zinc/15/88/70/321158870.db2.gz JCJDSFOEXUHHBO-HNNXBMFYSA-N 1 0 347.415 1.994 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)c(C)cc1[N+](=O)[O-] ZINC000565243686 321178758 /nfs/dbraw/zinc/17/87/58/321178758.db2.gz CQGJQMMWDYAXDK-ZDUSSCGKSA-N 1 0 327.406 1.569 20 5 EDBDRO NC(=O)c1cccc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000565905520 321205736 /nfs/dbraw/zinc/20/57/36/321205736.db2.gz SVCUCVGQTFDKJR-ZDUSSCGKSA-N 1 0 348.403 1.385 20 5 EDBDRO CN(C)[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccsc1 ZINC000569065905 321316868 /nfs/dbraw/zinc/31/68/68/321316868.db2.gz YYNKTDJBVFPYCA-KGLIPLIRSA-N 1 0 339.421 1.106 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000571384857 321385407 /nfs/dbraw/zinc/38/54/07/321385407.db2.gz SFVFGEBWELFQRG-AWEZNQCLSA-N 1 0 348.403 1.784 20 5 EDBDRO Cc1cccc2c(CC[NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)c[nH]c21 ZINC000571515742 321390039 /nfs/dbraw/zinc/39/00/39/321390039.db2.gz AHUVSXQLEOASJZ-OAHLLOKOSA-N 1 0 343.387 1.774 20 5 EDBDRO Cn1ccnc1[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000571587366 321393372 /nfs/dbraw/zinc/39/33/72/321393372.db2.gz PUFZIOCEXKEDDB-ZIAGYGMSSA-N 1 0 346.387 1.558 20 5 EDBDRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1O ZINC000574444831 321483988 /nfs/dbraw/zinc/48/39/88/321483988.db2.gz DKCBLDPDYZDOSZ-CYBMUJFWSA-N 1 0 348.355 1.839 20 5 EDBDRO CC1=CC[N@H+](CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000302156802 444206202 /nfs/dbraw/zinc/20/62/02/444206202.db2.gz NURIJYMPAJXKHR-UHFFFAOYSA-N 1 0 340.405 1.306 20 5 EDBDRO CC[C@@H]([NH3+])CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000295238091 444172779 /nfs/dbraw/zinc/17/27/79/444172779.db2.gz OUFLTROPMAASRO-HIFRSBDPSA-N 1 0 348.403 1.361 20 5 EDBDRO Cc1c(CO)cc([N+](=O)[O-])c(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000301612617 444182052 /nfs/dbraw/zinc/18/20/52/444182052.db2.gz SNGOPONUNFHVJO-RNCFNFMXSA-N 1 0 338.364 1.690 20 5 EDBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000301616777 444182499 /nfs/dbraw/zinc/18/24/99/444182499.db2.gz WATHWWQRBVNWGA-VXGBXAGGSA-N 1 0 331.376 1.743 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CNc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301851588 444193875 /nfs/dbraw/zinc/19/38/75/444193875.db2.gz XCECVLWWJBFROG-LBPRGKRZSA-N 1 0 333.396 1.075 20 5 EDBDRO Cn1cc([C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[NH+](C)C)cn1 ZINC000301963748 444198751 /nfs/dbraw/zinc/19/87/51/444198751.db2.gz JFYGKQHJSKXXOQ-NSHDSACASA-N 1 0 330.352 1.086 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCN1CCC(O)CC1)C1CC1 ZINC000296015400 444198912 /nfs/dbraw/zinc/19/89/12/444198912.db2.gz RLTBSYBUZKPOJP-KRWDZBQOSA-N 1 0 333.432 1.962 20 5 EDBDRO C[C@H]1C[N@@H+](C2CCN(c3cc(CO)ccc3[N+](=O)[O-])CC2)CCO1 ZINC000302033085 444201586 /nfs/dbraw/zinc/20/15/86/444201586.db2.gz KXAVQNMJZKQVQN-ZDUSSCGKSA-N 1 0 335.404 1.777 20 5 EDBDRO CC1(C)[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]2CCO[C@H]21 ZINC000296087889 444203940 /nfs/dbraw/zinc/20/39/40/444203940.db2.gz HIYGVKAOGSWJAE-LCGIIJARSA-N 1 0 336.388 1.738 20 5 EDBDRO Cc1c(CC(=O)NCCC[N@@H+](C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000290140207 444247138 /nfs/dbraw/zinc/24/71/38/444247138.db2.gz NSMOTOOXMVGGMS-UHFFFAOYSA-N 1 0 336.436 1.445 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000290186979 444252637 /nfs/dbraw/zinc/25/26/37/444252637.db2.gz RJNLJHNFJNFPCX-UHFFFAOYSA-N 1 0 336.436 1.859 20 5 EDBDRO Cn1cc(C[C@@H]2CC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000305170495 444262154 /nfs/dbraw/zinc/26/21/54/444262154.db2.gz JLHTZKYTLUQJKJ-SUMWQHHRSA-N 1 0 330.388 1.926 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000317767859 444317272 /nfs/dbraw/zinc/31/72/72/444317272.db2.gz CBYWKNPFPFBVHY-GXTWGEPZSA-N 1 0 325.390 1.108 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000318930886 444321811 /nfs/dbraw/zinc/32/18/11/444321811.db2.gz PRHZXSAFUJJGQB-JTQLQIEISA-N 1 0 329.378 1.024 20 5 EDBDRO C[C@@H]1CCC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H]1CO ZINC000305744922 444277033 /nfs/dbraw/zinc/27/70/33/444277033.db2.gz UWTOXJCMOHORES-DOMZBBRYSA-N 1 0 349.387 1.986 20 5 EDBDRO Cc1noc([C@@]2(O)CCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)n1 ZINC000290421446 444278781 /nfs/dbraw/zinc/27/87/81/444278781.db2.gz KRTZFVIWUBLSRP-MQDFFIGUSA-N 1 0 330.344 1.893 20 5 EDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000305781343 444280547 /nfs/dbraw/zinc/28/05/47/444280547.db2.gz UMHWOZPWRBCHBK-LLVKDONJSA-N 1 0 335.282 1.778 20 5 EDBDRO Cc1cccc(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000290556271 444294614 /nfs/dbraw/zinc/29/46/14/444294614.db2.gz FJBGXLBIOCAVGT-UHFFFAOYSA-N 1 0 336.436 1.859 20 5 EDBDRO CCC[N@H+](CC)C[C@@H](C)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000290610394 444301229 /nfs/dbraw/zinc/30/12/29/444301229.db2.gz CSXDJGYZSDCENN-LLVKDONJSA-N 1 0 344.437 1.775 20 5 EDBDRO [NH3+][C@@H](CC(F)F)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000323968454 444348752 /nfs/dbraw/zinc/34/87/52/444348752.db2.gz VOXRUQOCLHSZIU-JTQLQIEISA-N 1 0 328.319 1.226 20 5 EDBDRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000320145404 444328377 /nfs/dbraw/zinc/32/83/77/444328377.db2.gz LBUSPHDHBHDOAN-FZMZJTMJSA-N 1 0 325.390 1.344 20 5 EDBDRO C[C@@H]([NH3+])C[C@H](C)Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000320655247 444331408 /nfs/dbraw/zinc/33/14/08/444331408.db2.gz HGWFEYJINUYAFB-ZJUUUORDSA-N 1 0 330.410 1.383 20 5 EDBDRO CC(C)(C(=O)NCCC[NH+]1CCC(O)CC1)c1ccccc1[N+](=O)[O-] ZINC000340506394 444415793 /nfs/dbraw/zinc/41/57/93/444415793.db2.gz AIJIOAIIPGTBPM-UHFFFAOYSA-N 1 0 349.431 1.835 20 5 EDBDRO Cc1c(F)cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000331085403 444388072 /nfs/dbraw/zinc/38/80/72/444388072.db2.gz ZRBMCWGKJOCCFG-JTQLQIEISA-N 1 0 331.369 1.367 20 5 EDBDRO Cc1cc(N[C@@H]2CCCN(CCO)C2=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000337916465 444458747 /nfs/dbraw/zinc/45/87/47/444458747.db2.gz RCCNYWKQSNYJDX-OAHLLOKOSA-N 1 0 344.371 1.269 20 5 EDBDRO C[NH+](C)CCN1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000298138186 444427344 /nfs/dbraw/zinc/42/73/44/444427344.db2.gz ZLOXTRPSCVGDPW-UHFFFAOYSA-N 1 0 345.403 1.396 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+]C(C)(C)C(C)(C)O)c([N+](=O)[O-])c1 ZINC000340732468 444492693 /nfs/dbraw/zinc/49/26/93/444492693.db2.gz AJDWFNVVYCHABP-UHFFFAOYSA-N 1 0 325.365 1.681 20 5 EDBDRO C[C@@H](CN1CCCCC1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000581963754 322239041 /nfs/dbraw/zinc/23/90/41/322239041.db2.gz LUDWRFNIUITANJ-GOEBONIOSA-N 1 0 337.420 1.799 20 5 EDBDRO CC[N@H+](CCCO)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000343762320 444572316 /nfs/dbraw/zinc/57/23/16/444572316.db2.gz FIXWXSXUCOZQGN-LLVKDONJSA-N 1 0 325.365 1.635 20 5 EDBDRO COc1ccc(OCC[N@@H+]2CC[C@H](N3CCCC3=O)C2)c([N+](=O)[O-])c1 ZINC000341002525 444625425 /nfs/dbraw/zinc/62/54/25/444625425.db2.gz VPYAREKWDWUZRH-ZDUSSCGKSA-N 1 0 349.387 1.679 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000342384614 444668002 /nfs/dbraw/zinc/66/80/02/444668002.db2.gz VGWURVPJUSNRRQ-CABCVRRESA-N 1 0 346.387 1.868 20 5 EDBDRO O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000344052673 444751784 /nfs/dbraw/zinc/75/17/84/444751784.db2.gz IKKVZMIBYYZRPS-JGGQBBKZSA-N 1 0 331.372 1.187 20 5 EDBDRO C[C@@H]([NH2+][C@H]1CCC(=O)NC1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000338589684 444760677 /nfs/dbraw/zinc/76/06/77/444760677.db2.gz BECFGHRQXSLCKB-MFKMUULPSA-N 1 0 334.376 1.569 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]CCC2(O)CCC2)cc1[N+](=O)[O-] ZINC000341334559 444783074 /nfs/dbraw/zinc/78/30/74/444783074.db2.gz KGMCOPDJIIEDEC-UHFFFAOYSA-N 1 0 338.360 1.541 20 5 EDBDRO CC[N@H+](CCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)C(C)C ZINC000338811145 444863589 /nfs/dbraw/zinc/86/35/89/444863589.db2.gz IGRCOOWIUWNOEX-UHFFFAOYSA-N 1 0 325.413 1.645 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2Cn2cc(C3CC3)nn2)c1 ZINC000344313474 444895480 /nfs/dbraw/zinc/89/54/80/444895480.db2.gz PNSOABVIYLYMOY-ZDUSSCGKSA-N 1 0 331.380 1.425 20 5 EDBDRO C[C@H]([NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000341584233 444907666 /nfs/dbraw/zinc/90/76/66/444907666.db2.gz INNRCUOYHXGULD-VWPFQQQWSA-N 1 0 337.420 1.716 20 5 EDBDRO COc1c(C(=O)N(C)C[C@H]2C[C@H](OC)C[N@H+]2C)cccc1[N+](=O)[O-] ZINC000344508305 445021881 /nfs/dbraw/zinc/02/18/81/445021881.db2.gz GCWOKUPVRRDPRV-NEPJUHHUSA-N 1 0 337.376 1.395 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000330451844 444986646 /nfs/dbraw/zinc/98/66/46/444986646.db2.gz URAMBVKQRHPRMJ-AWEZNQCLSA-N 1 0 341.433 1.746 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000337284147 445015432 /nfs/dbraw/zinc/01/54/32/445015432.db2.gz JIIVPAKGINUCQG-FPCVCCKLSA-N 1 0 338.408 1.168 20 5 EDBDRO CC[N@@H+]1C[C@H](C)N(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000330596123 445053449 /nfs/dbraw/zinc/05/34/49/445053449.db2.gz XYMKZEFTDIUXBM-KGLIPLIRSA-N 1 0 334.420 1.972 20 5 EDBDRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000341896746 445058938 /nfs/dbraw/zinc/05/89/38/445058938.db2.gz AEVVQDOEWHYVDI-ZDUSSCGKSA-N 1 0 336.392 1.091 20 5 EDBDRO CSc1ccc(C(=O)NCCNc2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000341866313 445041156 /nfs/dbraw/zinc/04/11/56/445041156.db2.gz BRWKLKUGGHISKN-UHFFFAOYSA-N 1 0 332.385 1.976 20 5 EDBDRO C[NH+](C)CC1(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC000341994896 445113262 /nfs/dbraw/zinc/11/32/62/445113262.db2.gz MTLMEPOYWXYAIO-UHFFFAOYSA-N 1 0 349.387 1.509 20 5 EDBDRO COc1cc(CN(C)C[C@@H]2C[C@@H](OC)C[N@H+]2C)c([N+](=O)[O-])cc1F ZINC000345144555 445169258 /nfs/dbraw/zinc/16/92/58/445169258.db2.gz FXBGXXIABVNZMS-QWHCGFSZSA-N 1 0 341.383 1.893 20 5 EDBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000343505332 445235505 /nfs/dbraw/zinc/23/55/05/445235505.db2.gz DKFKEKMZOHEWLZ-QWHCGFSZSA-N 1 0 335.408 1.612 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000347523208 445240939 /nfs/dbraw/zinc/24/09/39/445240939.db2.gz NIZAGXVLEBCWLQ-UHFFFAOYSA-N 1 0 347.375 1.658 20 5 EDBDRO COc1cccc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000347767586 445248100 /nfs/dbraw/zinc/24/81/00/445248100.db2.gz FFEWJUBYJPBGJC-OLZOCXBDSA-N 1 0 335.360 1.149 20 5 EDBDRO C[N@H+](Cc1ccccc1)C1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000343614063 445263315 /nfs/dbraw/zinc/26/33/15/445263315.db2.gz BTILICBLRWVGRF-UHFFFAOYSA-N 1 0 338.371 1.958 20 5 EDBDRO CC(C)[NH+]1CCC(N2CCN(c3ncc([N+](=O)[O-])cn3)CC2)CC1 ZINC000354582699 445303317 /nfs/dbraw/zinc/30/33/17/445303317.db2.gz UESFIIWMLXFNHF-UHFFFAOYSA-N 1 0 334.424 1.380 20 5 EDBDRO COC(=O)COc1ccc(C[N@H+](C)[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000348548851 445323001 /nfs/dbraw/zinc/32/30/01/445323001.db2.gz HBIOKXNBBONQEL-OCCSQVGLSA-N 1 0 338.360 1.492 20 5 EDBDRO COc1cc(C[NH2+]C[C@]2(OC)CCOC2)c([N+](=O)[O-])cc1OC ZINC000359662119 445363622 /nfs/dbraw/zinc/36/36/22/445363622.db2.gz DPQXBZZWMXBSEA-OAHLLOKOSA-N 1 0 326.349 1.507 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000351903399 445364987 /nfs/dbraw/zinc/36/49/87/445364987.db2.gz XPVMFRYNGWODIX-LBPRGKRZSA-N 1 0 327.406 1.536 20 5 EDBDRO COc1cc(C[N@@H+]2CC[C@H](N3CCOCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000351998590 445427254 /nfs/dbraw/zinc/42/72/54/445427254.db2.gz WLDZKYCVOSKMDH-ZFWWWQNUSA-N 1 0 335.404 1.898 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H](CO)C3CCOCC3)o2)cc1 ZINC000359885758 445474844 /nfs/dbraw/zinc/47/48/44/445474844.db2.gz YZBBHHCAYUDSQC-CQSZACIVSA-N 1 0 348.359 1.522 20 5 EDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000362750434 445532026 /nfs/dbraw/zinc/53/20/26/445532026.db2.gz QMNRLMQAVZXIDT-OAHLLOKOSA-N 1 0 334.376 1.970 20 5 EDBDRO COc1c(C(=O)NCCC[NH+]2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC000356171303 445660778 /nfs/dbraw/zinc/66/07/78/445660778.db2.gz RDMDKZCBSXUSBI-UHFFFAOYSA-N 1 0 337.376 1.180 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000363098962 445677783 /nfs/dbraw/zinc/67/77/83/445677783.db2.gz INBGWDMACKDDOQ-GHMZBOCLSA-N 1 0 329.360 1.828 20 5 EDBDRO Cc1ccnc(NC[C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000363135493 445691862 /nfs/dbraw/zinc/69/18/62/445691862.db2.gz VNKJRDPKDZXSAR-CQSZACIVSA-N 1 0 330.392 1.929 20 5 EDBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356463229 445804465 /nfs/dbraw/zinc/80/44/65/445804465.db2.gz UVVRGNXWNVSEAB-RYUDHWBXSA-N 1 0 337.424 1.815 20 5 EDBDRO CN(Cc1cn2c(n1)CCCC2)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000372991340 445964064 /nfs/dbraw/zinc/96/40/64/445964064.db2.gz RSIIKSBOXWNECD-UHFFFAOYSA-N 1 0 347.379 1.166 20 5 EDBDRO Cc1c(C(=O)NCc2cncn2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000356772171 446003382 /nfs/dbraw/zinc/00/33/82/446003382.db2.gz COPNGUCOZLGYLS-UHFFFAOYSA-N 1 0 341.331 1.147 20 5 EDBDRO CC(C)[NH2+]CCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000583563998 326096542 /nfs/dbraw/zinc/09/65/42/326096542.db2.gz RGXRVSKPHZQATM-UHFFFAOYSA-N 1 0 335.813 1.915 20 5 EDBDRO C[C@@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000583861180 326153920 /nfs/dbraw/zinc/15/39/20/326153920.db2.gz ZVLINQJBBXVNTK-OLZOCXBDSA-N 1 0 336.392 1.661 20 5 EDBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000583935367 326169546 /nfs/dbraw/zinc/16/95/46/326169546.db2.gz JJICQCCQROFXRG-XYPYZODXSA-N 1 0 335.360 1.818 20 5 EDBDRO CC(C)(C)OC1CC(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000584168501 326212829 /nfs/dbraw/zinc/21/28/29/326212829.db2.gz MJPOGISLWQICKW-BLZCZZARSA-N 1 0 340.424 1.726 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000356853103 446072413 /nfs/dbraw/zinc/07/24/13/446072413.db2.gz NTZMODFHRFJTLK-XQQFMLRXSA-N 1 0 348.403 1.264 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)c1C ZINC000373175124 446073484 /nfs/dbraw/zinc/07/34/84/446073484.db2.gz YIQXXUFSXCQUFP-CLLJXQQHSA-N 1 0 339.417 1.854 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000351480915 446080748 /nfs/dbraw/zinc/08/07/48/446080748.db2.gz WHVVAVOMGQJPHZ-SDDRHHMPSA-N 1 0 325.390 1.261 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)[C@H](C)C1 ZINC000356899270 446106073 /nfs/dbraw/zinc/10/60/73/446106073.db2.gz DSGJKJJXFVUKPM-NEPJUHHUSA-N 1 0 346.387 1.603 20 5 EDBDRO C[C@@H]1[C@H](C)N(C)CCN1C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351579813 446176998 /nfs/dbraw/zinc/17/69/98/446176998.db2.gz JEIXTRFMDGGODL-VHSXEESVSA-N 1 0 338.339 1.223 20 5 EDBDRO CCc1n[nH]c(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2CC)c1[N+](=O)[O-] ZINC000365534762 446243992 /nfs/dbraw/zinc/24/39/92/446243992.db2.gz OUALFHNUQWMYPF-NWDGAFQWSA-N 1 0 335.408 1.969 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000365504606 446234824 /nfs/dbraw/zinc/23/48/24/446234824.db2.gz XMVVGMORSJJNFM-RDJZCZTQSA-N 1 0 347.415 1.754 20 5 EDBDRO Cn1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000359463857 446239161 /nfs/dbraw/zinc/23/91/61/446239161.db2.gz ZZMVKWWIKCMBFX-OKILXGFUSA-N 1 0 327.388 1.647 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000366653966 446295275 /nfs/dbraw/zinc/29/52/75/446295275.db2.gz NVOIIMJQHNKPEI-HOTGVXAUSA-N 1 0 337.445 1.751 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCc2nccn21 ZINC000365652827 446288903 /nfs/dbraw/zinc/28/89/03/446288903.db2.gz BTTJGVLKWKSFFI-CYBMUJFWSA-N 1 0 340.343 1.861 20 5 EDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000366709523 446318027 /nfs/dbraw/zinc/31/80/27/446318027.db2.gz KMSPQTZHUWNSKY-OAHLLOKOSA-N 1 0 339.417 1.595 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000376330076 446432220 /nfs/dbraw/zinc/43/22/20/446432220.db2.gz BHTCXYFDKWOPIL-STQMWFEESA-N 1 0 344.375 1.769 20 5 EDBDRO COC[C@@]1(CNC(=O)NCc2cccc([N+](=O)[O-])c2C)CCC[NH2+]1 ZINC000418082240 446435100 /nfs/dbraw/zinc/43/51/00/446435100.db2.gz POSFUKSDFUKKNS-INIZCTEOSA-N 1 0 336.392 1.471 20 5 EDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000420281699 446447912 /nfs/dbraw/zinc/44/79/12/446447912.db2.gz MMVMRSYLICFNRP-IUCAKERBSA-N 1 0 333.435 1.989 20 5 EDBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC2)C1 ZINC000374806496 446401474 /nfs/dbraw/zinc/40/14/74/446401474.db2.gz MGEFSZBWGNVZPT-CYBMUJFWSA-N 1 0 347.419 1.029 20 5 EDBDRO NC(=O)[C@]1(O)CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000366924572 446413117 /nfs/dbraw/zinc/41/31/17/446413117.db2.gz IMDUOLMRRDZWRH-AWEZNQCLSA-N 1 0 345.302 1.008 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000366929921 446414910 /nfs/dbraw/zinc/41/49/10/446414910.db2.gz NIRUPWMPNPPDEH-IIAWOOMASA-N 1 0 336.388 1.978 20 5 EDBDRO C[NH2+][C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420290823 446454317 /nfs/dbraw/zinc/45/43/17/446454317.db2.gz JLRUPEVKMCJGDC-SNVBAGLBSA-N 1 0 326.784 1.871 20 5 EDBDRO CCCc1n[nH]c(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000370880555 446496654 /nfs/dbraw/zinc/49/66/54/446496654.db2.gz GRZVJHQBYXDMBS-OLZOCXBDSA-N 1 0 335.408 1.969 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCO[C@H](C[NH3+])C1 ZINC000420390023 446565438 /nfs/dbraw/zinc/56/54/38/446565438.db2.gz MYRNVHDKEHIFMR-CQSZACIVSA-N 1 0 336.392 1.281 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000411401347 446521871 /nfs/dbraw/zinc/52/18/71/446521871.db2.gz XCWRWUIVXHGRPM-ZDUSSCGKSA-N 1 0 348.403 1.703 20 5 EDBDRO Cc1ccnc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000367199828 446522128 /nfs/dbraw/zinc/52/21/28/446522128.db2.gz FJNKSCOQKNSVQT-LSDHHAIUSA-N 1 0 333.436 1.760 20 5 EDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000420357809 446537187 /nfs/dbraw/zinc/53/71/87/446537187.db2.gz DSGLGVJOIGXMPG-CZPYZCIJSA-N 1 0 332.404 1.676 20 5 EDBDRO O=C(CN1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1[N+](=O)[O-] ZINC000420391478 446567655 /nfs/dbraw/zinc/56/76/55/446567655.db2.gz IJWPTCICUWGOLZ-ZFWWWQNUSA-N 1 0 332.404 1.997 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420435392 446609892 /nfs/dbraw/zinc/60/98/92/446609892.db2.gz SMUUMUUUXLVUDV-FZMZJTMJSA-N 1 0 327.406 1.197 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000420419545 446593400 /nfs/dbraw/zinc/59/34/00/446593400.db2.gz IWWSYQWFQALKHJ-CHWSQXEVSA-N 1 0 327.406 1.327 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000420443985 446620483 /nfs/dbraw/zinc/62/04/83/446620483.db2.gz LTITVXBOUHZJQO-CYBMUJFWSA-N 1 0 327.406 1.546 20 5 EDBDRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420429164 446604396 /nfs/dbraw/zinc/60/43/96/446604396.db2.gz UAARRUTXJSTPGW-VXGBXAGGSA-N 1 0 327.406 1.136 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000420433024 446606638 /nfs/dbraw/zinc/60/66/38/446606638.db2.gz YQOSCEUKCJOMIC-DGCLKSJQSA-N 1 0 327.406 1.136 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000423665581 446632101 /nfs/dbraw/zinc/63/21/01/446632101.db2.gz JJJFKAMZWYUVBA-YWVKMMECSA-N 1 0 327.768 1.964 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@H](C)C1 ZINC000371110514 446634914 /nfs/dbraw/zinc/63/49/14/446634914.db2.gz ZDXBFHOZXONVCH-GFCCVEGCSA-N 1 0 337.376 1.900 20 5 EDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418776280 446694451 /nfs/dbraw/zinc/69/44/51/446694451.db2.gz GBFRLMVFZCKGNS-IUODEOHRSA-N 1 0 348.403 1.373 20 5 EDBDRO O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000423819510 446708860 /nfs/dbraw/zinc/70/88/60/446708860.db2.gz AERQFKIVZVYLCG-YUELXQCFSA-N 1 0 347.419 1.876 20 5 EDBDRO COC(=O)[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+](C)C1 ZINC000411913338 446726857 /nfs/dbraw/zinc/72/68/57/446726857.db2.gz IYFFVQJSVZTDNK-LLVKDONJSA-N 1 0 347.375 1.008 20 5 EDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411941079 446751789 /nfs/dbraw/zinc/75/17/89/446751789.db2.gz KZARELUGDPOTNM-RYUDHWBXSA-N 1 0 334.376 1.332 20 5 EDBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccccc3)C2)c1 ZINC000375389426 446765195 /nfs/dbraw/zinc/76/51/95/446765195.db2.gz GKTZAUQHJGWDKD-GDBMZVCRSA-N 1 0 346.387 1.868 20 5 EDBDRO O=C(C[NH2+][C@@H]1CCO[C@H]1C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000375429310 446792683 /nfs/dbraw/zinc/79/26/83/446792683.db2.gz QIKCBNMHOUDASD-PBHICJAKSA-N 1 0 331.372 1.641 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000420759070 446797605 /nfs/dbraw/zinc/79/76/05/446797605.db2.gz DHUOUNIXFWTGME-CYBMUJFWSA-N 1 0 327.406 1.451 20 5 EDBDRO Cc1c(NC(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)cccc1[N+](=O)[O-] ZINC000376957122 446821128 /nfs/dbraw/zinc/82/11/28/446821128.db2.gz IUAFKCPGHYEYJS-GFCCVEGCSA-N 1 0 336.392 1.824 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000375598729 446916616 /nfs/dbraw/zinc/91/66/16/446916616.db2.gz QUWJAKHSJPNNPX-UHFFFAOYSA-N 1 0 339.417 1.667 20 5 EDBDRO C[C@H](NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000419132754 446941596 /nfs/dbraw/zinc/94/15/96/446941596.db2.gz FFERICCVEJVNOC-RYUDHWBXSA-N 1 0 334.376 1.030 20 5 EDBDRO C[C@@H](NC(=O)C(=O)NCC1(C)CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000419146291 446960823 /nfs/dbraw/zinc/96/08/23/446960823.db2.gz IGNZIYRJRYGWOT-GFCCVEGCSA-N 1 0 348.403 1.278 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)[C@@H]2C1 ZINC000425048856 447003673 /nfs/dbraw/zinc/00/36/73/447003673.db2.gz OPVFZQVCBVKKLN-SMDDNHRTSA-N 1 0 347.371 1.532 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000419273945 447049073 /nfs/dbraw/zinc/04/90/73/447049073.db2.gz RAOKRUJGEOIKHN-SGMGOOAPSA-N 1 0 348.403 1.337 20 5 EDBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444645546 447114586 /nfs/dbraw/zinc/11/45/86/447114586.db2.gz ZRTKGGCHZKBJHC-CQSZACIVSA-N 1 0 331.376 1.962 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000421768397 447244322 /nfs/dbraw/zinc/24/43/22/447244322.db2.gz NWSHKCTVEHQQIM-UHFFFAOYSA-N 1 0 348.447 1.921 20 5 EDBDRO COc1ccc(OCC[N@@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000377665836 447282192 /nfs/dbraw/zinc/28/21/92/447282192.db2.gz BOBSNPKQUUEIMS-DGCLKSJQSA-N 1 0 335.360 1.050 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)c([N+](=O)[O-])cc1OC ZINC000389840181 447487054 /nfs/dbraw/zinc/48/70/54/447487054.db2.gz RNVZGKMEPHCREO-CQSZACIVSA-N 1 0 337.376 1.730 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC000422550965 447638132 /nfs/dbraw/zinc/63/81/32/447638132.db2.gz CLWUQUYMIAFQEA-UHFFFAOYSA-N 1 0 325.390 1.420 20 5 EDBDRO CC(C)NC(=O)c1ccc(N2CC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420227674 447679042 /nfs/dbraw/zinc/67/90/42/447679042.db2.gz JEXAMQUQFWYRQA-QGZVFWFLSA-N 1 0 332.404 1.923 20 5 EDBDRO O=[N+]([O-])c1cnc(NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(F)c1 ZINC000420238224 447682527 /nfs/dbraw/zinc/68/25/27/447682527.db2.gz HDCXLSRLSUSWNW-SNVBAGLBSA-N 1 0 337.277 1.377 20 5 EDBDRO CCCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000422799848 447753168 /nfs/dbraw/zinc/75/31/68/447753168.db2.gz AAUIGOJSQRDEPT-ZDUSSCGKSA-N 1 0 335.360 1.596 20 5 EDBDRO CCOc1ccc(NC(=O)CN2C[C@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430928675 447787195 /nfs/dbraw/zinc/78/71/95/447787195.db2.gz UXCGUYLRLCGJTL-RYUDHWBXSA-N 1 0 336.392 1.614 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423096631 447804604 /nfs/dbraw/zinc/80/46/04/447804604.db2.gz HVWXZBKEVYCZAA-CYBMUJFWSA-N 1 0 348.403 1.141 20 5 EDBDRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000423107490 447806115 /nfs/dbraw/zinc/80/61/15/447806115.db2.gz SCXSVQZQXMGKGG-CYBMUJFWSA-N 1 0 346.387 1.036 20 5 EDBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000530491838 447898971 /nfs/dbraw/zinc/89/89/71/447898971.db2.gz CIZZEKFMOKCGGE-RYUDHWBXSA-N 1 0 342.421 1.389 20 5 EDBDRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000524791028 447955553 /nfs/dbraw/zinc/95/55/53/447955553.db2.gz QKMMDDOEOPYTRW-SNVBAGLBSA-N 1 0 347.824 1.868 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000569986938 447931285 /nfs/dbraw/zinc/93/12/85/447931285.db2.gz KYHGHXPCEXYCIR-NSHDSACASA-N 1 0 333.392 1.518 20 5 EDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525183004 447974057 /nfs/dbraw/zinc/97/40/57/447974057.db2.gz HUMSWULFIKYGLM-GFCCVEGCSA-N 1 0 342.421 1.485 20 5 EDBDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000505295919 448113061 /nfs/dbraw/zinc/11/30/61/448113061.db2.gz OBNHWKLXTGTUOU-CYBMUJFWSA-N 1 0 329.360 1.712 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC000576754808 448133314 /nfs/dbraw/zinc/13/33/14/448133314.db2.gz JJAATQCAEISESQ-HNNXBMFYSA-N 1 0 339.417 1.667 20 5 EDBDRO CN1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C[NH3+])C1 ZINC000582421169 448235288 /nfs/dbraw/zinc/23/52/88/448235288.db2.gz ZWQKYUKBJQNJGV-HNNXBMFYSA-N 1 0 347.444 1.793 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000591302520 448314042 /nfs/dbraw/zinc/31/40/42/448314042.db2.gz RXGGRZYWQBEZLY-LBPRGKRZSA-N 1 0 334.376 1.408 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000515641239 448338051 /nfs/dbraw/zinc/33/80/51/448338051.db2.gz LEILWRDZOKSMOA-CYBMUJFWSA-N 1 0 333.436 1.916 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)c1 ZINC000572843126 448478690 /nfs/dbraw/zinc/47/86/90/448478690.db2.gz PTILCTZGGVWGIZ-UKRRQHHQSA-N 1 0 335.360 1.196 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)c1 ZINC000591754301 448481394 /nfs/dbraw/zinc/48/13/94/448481394.db2.gz IJKCDYWXLPAJGC-MWQQHZPXSA-N 1 0 336.388 1.882 20 5 EDBDRO Cc1cc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)nc(C)n1 ZINC000591766507 448486016 /nfs/dbraw/zinc/48/60/16/448486016.db2.gz YTBMJARQNMHYAP-OAHLLOKOSA-N 1 0 332.360 1.531 20 5 EDBDRO CNc1nccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000566440335 448472387 /nfs/dbraw/zinc/47/23/87/448472387.db2.gz DTRPUMZXFYLQQV-WCQYABFASA-N 1 0 333.392 1.588 20 5 EDBDRO COc1ccc(C(C)(C)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000591728181 448473375 /nfs/dbraw/zinc/47/33/75/448473375.db2.gz PJFUZWWQZXYONH-OAHLLOKOSA-N 1 0 348.403 1.728 20 5 EDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1nccc2ccc([N+](=O)[O-])cc21 ZINC000591985455 448610667 /nfs/dbraw/zinc/61/06/67/448610667.db2.gz NYEROCOHKSMLTG-GFCCVEGCSA-N 1 0 343.387 1.699 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000592007300 448621966 /nfs/dbraw/zinc/62/19/66/448621966.db2.gz DMXGDHACGXUHPD-KGLIPLIRSA-N 1 0 333.392 1.027 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCCc3ccccc32)c1 ZINC000566952911 448588840 /nfs/dbraw/zinc/58/88/40/448588840.db2.gz SNKWNRNQMOUYFM-GOEBONIOSA-N 1 0 330.388 1.862 20 5 EDBDRO CCOC(=O)c1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000567011879 448599674 /nfs/dbraw/zinc/59/96/74/448599674.db2.gz JQRQCVPUTKACTA-OAHLLOKOSA-N 1 0 348.359 1.119 20 5 EDBDRO CCc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000573482772 448638739 /nfs/dbraw/zinc/63/87/39/448638739.db2.gz KONHGASWQNPOCN-LBPRGKRZSA-N 1 0 327.406 1.530 20 5 EDBDRO COc1cc(OCC(=O)N2CC[N@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000584790163 448634587 /nfs/dbraw/zinc/63/45/87/448634587.db2.gz LPBQXHXLMMDONP-UHFFFAOYSA-N 1 0 337.376 1.535 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000592372480 448809830 /nfs/dbraw/zinc/80/98/30/448809830.db2.gz ZZACGRWGSBBZGS-UHFFFAOYSA-N 1 0 347.368 1.115 20 5 EDBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000586119870 448793528 /nfs/dbraw/zinc/79/35/28/448793528.db2.gz JUUFSOUHDFISBJ-UHFFFAOYSA-N 1 0 343.387 1.974 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)cc([N+](=O)[O-])c1 ZINC000592337761 448797619 /nfs/dbraw/zinc/79/76/19/448797619.db2.gz MJMUZQUKDHPAKO-CQSZACIVSA-N 1 0 347.371 1.643 20 5 EDBDRO CCc1ccc(S(=O)(=O)N(C)C2(C[NH3+])CCC2)cc1[N+](=O)[O-] ZINC000592392615 448820187 /nfs/dbraw/zinc/82/01/87/448820187.db2.gz VVFPYSVRPQJVBE-UHFFFAOYSA-N 1 0 327.406 1.659 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000519715799 448826780 /nfs/dbraw/zinc/82/67/80/448826780.db2.gz PUFITBYNBSKHSN-LBPRGKRZSA-N 1 0 341.433 1.729 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]21 ZINC000592428587 448831777 /nfs/dbraw/zinc/83/17/77/448831777.db2.gz BWMMBTGDSXCRKG-MRVWCRGKSA-N 1 0 333.388 1.925 20 5 EDBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000592431290 448833417 /nfs/dbraw/zinc/83/34/17/448833417.db2.gz QHGHNNQARJRLHM-PRHODGIISA-N 1 0 335.282 1.825 20 5 EDBDRO CC[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC[C@H]1[NH3+] ZINC000592485909 448856725 /nfs/dbraw/zinc/85/67/25/448856725.db2.gz LFNBJWUPEYITHE-WCQYABFASA-N 1 0 336.392 1.601 20 5 EDBDRO COc1ccc(CNC(=O)C2([NH3+])Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000592504615 448868264 /nfs/dbraw/zinc/86/82/64/448868264.db2.gz LCYVTTNSVILGNT-UHFFFAOYSA-N 1 0 341.367 1.716 20 5 EDBDRO COCC[N@H+](C)C[C@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000568649884 448902014 /nfs/dbraw/zinc/90/20/14/448902014.db2.gz PGHDOTMOEFABBM-CYBMUJFWSA-N 1 0 325.409 1.359 20 5 EDBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000520606162 448916703 /nfs/dbraw/zinc/91/67/03/448916703.db2.gz KWCUPWBOYAXGSY-FRRDWIJNSA-N 1 0 347.419 2.049 20 5 EDBDRO CNc1nccc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000579969493 448925639 /nfs/dbraw/zinc/92/56/39/448925639.db2.gz IZSWFYWPPZLNAT-UHFFFAOYSA-N 1 0 335.408 1.976 20 5 EDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000569119066 448965800 /nfs/dbraw/zinc/96/58/00/448965800.db2.gz XYHZSHCAGVRNAH-QWHCGFSZSA-N 1 0 335.408 1.552 20 5 EDBDRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000575058543 449024576 /nfs/dbraw/zinc/02/45/76/449024576.db2.gz HPNYKQXOVLSRCK-CQSZACIVSA-N 1 0 330.348 1.122 20 5 EDBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589515676 449028079 /nfs/dbraw/zinc/02/80/79/449028079.db2.gz YRDBTCVHCURMCE-MRXNPFEDSA-N 1 0 335.360 1.339 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000589930210 449084077 /nfs/dbraw/zinc/08/40/77/449084077.db2.gz UNWPBXOBDYRRAV-TZMCWYRMSA-N 1 0 325.390 1.061 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000589930220 449084498 /nfs/dbraw/zinc/08/44/98/449084498.db2.gz UXXWHJNHLDDSBB-GXTWGEPZSA-N 1 0 325.390 1.061 20 5 EDBDRO [NH3+]C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000569577042 449047609 /nfs/dbraw/zinc/04/76/09/449047609.db2.gz XLGGZYKVQALKPN-ZDUSSCGKSA-N 1 0 348.403 1.221 20 5 EDBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582296668 449060089 /nfs/dbraw/zinc/06/00/89/449060089.db2.gz QVAYTNQJXXKOJZ-SNPRPXQTSA-N 1 0 335.404 1.407 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C2(CO)CCOCC2)c1 ZINC000593027680 449106743 /nfs/dbraw/zinc/10/67/43/449106743.db2.gz WGPFIPNKIPQCHJ-UHFFFAOYSA-N 1 0 338.360 1.355 20 5 EDBDRO CC1CC[NH+](CCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000603930594 449160899 /nfs/dbraw/zinc/16/08/99/449160899.db2.gz ZGIIKMSHGRUAIH-UHFFFAOYSA-N 1 0 342.421 1.386 20 5 EDBDRO C[C@@H]1CCCC[N@@H+]1CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000603930348 449161799 /nfs/dbraw/zinc/16/17/99/449161799.db2.gz RFGCTIDWMUHAMU-LLVKDONJSA-N 1 0 342.421 1.529 20 5 EDBDRO CC[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000611088169 449164784 /nfs/dbraw/zinc/16/47/84/449164784.db2.gz HVOUXBDBRAOERT-GFCCVEGCSA-N 1 0 337.376 1.535 20 5 EDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000593732671 449168387 /nfs/dbraw/zinc/16/83/87/449168387.db2.gz QQXOYCJBUYOORZ-CQSZACIVSA-N 1 0 339.367 1.239 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000593733508 449168492 /nfs/dbraw/zinc/16/84/92/449168492.db2.gz VWNLOHXCHKFTQY-UHFFFAOYSA-N 1 0 343.405 1.271 20 5 EDBDRO CCCc1n[nH]c(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000590376337 449139848 /nfs/dbraw/zinc/13/98/48/449139848.db2.gz WNHQPVXFLNWTHC-UHFFFAOYSA-N 1 0 335.408 1.828 20 5 EDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593739140 449173407 /nfs/dbraw/zinc/17/34/07/449173407.db2.gz XXPGAGWAQGCIAU-IGCXYCKISA-N 1 0 332.404 1.983 20 5 EDBDRO CC(C)[NH+]1CCN(C2CCN(c3c([N+](=O)[O-])ncn3C)CC2)CC1 ZINC000611166096 449195788 /nfs/dbraw/zinc/19/57/88/449195788.db2.gz APOHXLXZOOQYCY-UHFFFAOYSA-N 1 0 336.440 1.323 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595834904 449197405 /nfs/dbraw/zinc/19/74/05/449197405.db2.gz SXOZZZPONKGQOV-OLZOCXBDSA-N 1 0 349.387 1.900 20 5 EDBDRO CC[C@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000590601108 449214720 /nfs/dbraw/zinc/21/47/20/449214720.db2.gz OMJQBMAQQXLFQB-LBPRGKRZSA-N 1 0 336.392 1.568 20 5 EDBDRO C[C@H](CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[NH+](C)C ZINC000598000520 449186519 /nfs/dbraw/zinc/18/65/19/449186519.db2.gz VLGGGTJGOGRFGP-GFCCVEGCSA-N 1 0 331.376 1.851 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000590566466 449192916 /nfs/dbraw/zinc/19/29/16/449192916.db2.gz JPTXPBRYIYYDMC-SLEUVZQESA-N 1 0 348.403 1.264 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC[C@H]1[C@H]1CCC[N@H+]1C ZINC000590564024 449193335 /nfs/dbraw/zinc/19/33/35/449193335.db2.gz BXUOFNDZJLCSNY-CVEARBPZSA-N 1 0 333.388 1.838 20 5 EDBDRO COc1ccc(NC(=O)CCN2CC[C@@H](F)[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000595906979 449246080 /nfs/dbraw/zinc/24/60/80/449246080.db2.gz PRHVGOGQRQOBQG-VXGBXAGGSA-N 1 0 340.355 1.303 20 5 EDBDRO COc1cc(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc([N+](=O)[O-])c1C ZINC000601970282 449253463 /nfs/dbraw/zinc/25/34/63/449253463.db2.gz NUDZDCRUFRDWCZ-CALCHBBNSA-N 1 0 333.388 1.983 20 5 EDBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1[nH]ncc1[N+](=O)[O-] ZINC000595966414 449287884 /nfs/dbraw/zinc/28/78/84/449287884.db2.gz FMJLVQUMYAKXKD-VXGBXAGGSA-N 1 0 333.323 1.333 20 5 EDBDRO COc1ccc(CC(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000600316306 449315287 /nfs/dbraw/zinc/31/52/87/449315287.db2.gz ZIRJTHNKGOINON-AWEZNQCLSA-N 1 0 335.404 1.994 20 5 EDBDRO [NH3+]Cc1cn([C@@H]2CCCN(c3c(Cl)cncc3[N+](=O)[O-])C2)nn1 ZINC000596013194 449315737 /nfs/dbraw/zinc/31/57/37/449315737.db2.gz DGELAGOPUIHNTI-SNVBAGLBSA-N 1 0 337.771 1.535 20 5 EDBDRO COc1cc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000611515875 449317986 /nfs/dbraw/zinc/31/79/86/449317986.db2.gz PSSNLKRJAWIEIX-GDBMZVCRSA-N 1 0 335.404 1.634 20 5 EDBDRO Nc1c(C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cccc1[N+](=O)[O-] ZINC000593911901 449280902 /nfs/dbraw/zinc/28/09/02/449280902.db2.gz IRYNFJNEHMPMPL-YWPYICTPSA-N 1 0 348.403 1.536 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000590762534 449281796 /nfs/dbraw/zinc/28/17/96/449281796.db2.gz COPWUWVDZBXMAI-GXTWGEPZSA-N 1 0 339.417 1.482 20 5 EDBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)CCNc1ccccc1[N+](=O)[O-])C2 ZINC000593914900 449283049 /nfs/dbraw/zinc/28/30/49/449283049.db2.gz OMRWNJZGVIIALF-GUYCJALGSA-N 1 0 332.404 1.984 20 5 EDBDRO Cc1nn(CCC(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c(C)c1[N+](=O)[O-] ZINC000593914499 449283080 /nfs/dbraw/zinc/28/30/80/449283080.db2.gz CSBZOHJMBVVCJW-BXUZGUMPSA-N 1 0 337.424 1.774 20 5 EDBDRO C[NH2+]Cc1ccccc1CNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000593914681 449283536 /nfs/dbraw/zinc/28/35/36/449283536.db2.gz NIGSUXHEYWIANN-UHFFFAOYSA-N 1 0 345.403 1.834 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594074736 449347257 /nfs/dbraw/zinc/34/72/57/449347257.db2.gz OLPLGPSZJUFXKO-QWHCGFSZSA-N 1 0 334.376 1.494 20 5 EDBDRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593564139 449353724 /nfs/dbraw/zinc/35/37/24/449353724.db2.gz WZNZQMKGOXSESK-UHFFFAOYSA-N 1 0 342.421 1.485 20 5 EDBDRO O=c1[nH]cnc2cc(NCCC[NH+]3CCC(O)CC3)c([N+](=O)[O-])cc12 ZINC000596084512 449354461 /nfs/dbraw/zinc/35/44/61/449354461.db2.gz ANDAMQSUEBTCKK-UHFFFAOYSA-N 1 0 347.375 1.502 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000598342580 449357219 /nfs/dbraw/zinc/35/72/19/449357219.db2.gz LGGKHQCRUVDBKO-AWEZNQCLSA-N 1 0 348.403 1.234 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000602117067 449358312 /nfs/dbraw/zinc/35/83/12/449358312.db2.gz OBTWXCRWTVJNGY-DUVNUKRYSA-N 1 0 333.388 1.944 20 5 EDBDRO CCN(C(=O)NCc1cc([N+](=O)[O-])ccc1OC)[C@H]1CC[N@H+](C)C1 ZINC000596177160 449398257 /nfs/dbraw/zinc/39/82/57/449398257.db2.gz APNZBSUOVZCFLB-AWEZNQCLSA-N 1 0 336.392 1.839 20 5 EDBDRO COc1cc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000598454996 449404184 /nfs/dbraw/zinc/40/41/84/449404184.db2.gz YMVYYTFVJYQVLG-AWEZNQCLSA-N 1 0 349.387 1.275 20 5 EDBDRO CC(C)(C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)n1cc([N+](=O)[O-])cn1 ZINC000594195132 449387554 /nfs/dbraw/zinc/38/75/54/449387554.db2.gz CFMUTZKDLULGAQ-KGLIPLIRSA-N 1 0 335.408 1.660 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(CO)([NH2+]CC3CC3)CC2)n1 ZINC000596266782 449446799 /nfs/dbraw/zinc/44/67/99/449446799.db2.gz VUMYCZNIJHHPCN-UHFFFAOYSA-N 1 0 334.420 1.938 20 5 EDBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000598539714 449454097 /nfs/dbraw/zinc/45/40/97/449454097.db2.gz AONZVCPWAWCLFR-OAHLLOKOSA-N 1 0 335.404 1.707 20 5 EDBDRO Cc1cc(NCc2nnnn2C2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611928264 449475913 /nfs/dbraw/zinc/47/59/13/449475913.db2.gz WCQDTXQBNNQVNL-UHFFFAOYSA-N 1 0 325.332 1.807 20 5 EDBDRO COC(=O)c1ccnc(N2CC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598597277 449483558 /nfs/dbraw/zinc/48/35/58/449483558.db2.gz YZMKMMKBPJCNPQ-GFCCVEGCSA-N 1 0 334.376 1.841 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000598605838 449488009 /nfs/dbraw/zinc/48/80/09/449488009.db2.gz CYJYFLYNRQYDBZ-UHFFFAOYSA-N 1 0 341.433 1.926 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598512329 449435940 /nfs/dbraw/zinc/43/59/40/449435940.db2.gz XGWZOQSOWWOPBI-CQSZACIVSA-N 1 0 329.360 1.182 20 5 EDBDRO CCCN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000598663587 449525890 /nfs/dbraw/zinc/52/58/90/449525890.db2.gz DRONJJOXSGSQJY-CQSZACIVSA-N 1 0 349.391 1.317 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1OC ZINC000598669304 449531186 /nfs/dbraw/zinc/53/11/86/449531186.db2.gz HCTZBPVVVLWUGK-APPDUMDISA-N 1 0 349.387 1.956 20 5 EDBDRO O=C1[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C1CCC1 ZINC000600761266 449537248 /nfs/dbraw/zinc/53/72/48/449537248.db2.gz ODENTGIWKIFQJZ-GDBMZVCRSA-N 1 0 349.387 1.078 20 5 EDBDRO [NH3+]C[C@@H](O)COc1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1 ZINC000600794381 449548928 /nfs/dbraw/zinc/54/89/28/449548928.db2.gz SZSXTARINQLATF-OAHLLOKOSA-N 1 0 332.356 1.495 20 5 EDBDRO CC1(C)CC[C@H](CO)[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000598647031 449517263 /nfs/dbraw/zinc/51/72/63/449517263.db2.gz JQURRXWSILVFCG-HUUCEWRRSA-N 1 0 338.404 1.817 20 5 EDBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598716240 449559464 /nfs/dbraw/zinc/55/94/64/449559464.db2.gz DBSBXGVNHOJIIV-CYBMUJFWSA-N 1 0 341.433 1.974 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598718474 449561387 /nfs/dbraw/zinc/56/13/87/449561387.db2.gz FKSZIHSGLULGMZ-IINYFYTJSA-N 1 0 341.389 1.105 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598720303 449561694 /nfs/dbraw/zinc/56/16/94/449561694.db2.gz OEKJEKQDIXTYNG-FZMZJTMJSA-N 1 0 325.390 1.405 20 5 EDBDRO CCN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000598910269 449642914 /nfs/dbraw/zinc/64/29/14/449642914.db2.gz XCQULDBRUUGGDK-AWEZNQCLSA-N 1 0 349.391 1.269 20 5 EDBDRO CN(C[C@H](O)CN1CCOCC1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599062445 449714051 /nfs/dbraw/zinc/71/40/51/449714051.db2.gz QIUINHAHBRATGS-AWEZNQCLSA-N 1 0 346.387 1.272 20 5 EDBDRO COC(=O)[C@@H]1C[C@@H](O)CN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599093756 449728754 /nfs/dbraw/zinc/72/87/54/449728754.db2.gz RIDIBROXBFBUIG-VXGBXAGGSA-N 1 0 331.328 1.503 20 5 EDBDRO O=[N+]([O-])c1ccc2nccc(NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)c2c1 ZINC000601172232 449732475 /nfs/dbraw/zinc/73/24/75/449732475.db2.gz YGWJVHWUIFPWAI-OKILXGFUSA-N 1 0 328.372 1.840 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000599101441 449733220 /nfs/dbraw/zinc/73/32/20/449733220.db2.gz JPGLPUSVGFUICT-AWEZNQCLSA-N 1 0 339.417 1.720 20 5 EDBDRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ncccc3[N+](=O)[O-])C2)C1 ZINC000594776583 449689056 /nfs/dbraw/zinc/68/90/56/449689056.db2.gz GDTHPUIUDTZGRM-CQSZACIVSA-N 1 0 340.405 1.096 20 5 EDBDRO CC1(C)COCCN1CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602593967 449692377 /nfs/dbraw/zinc/69/23/77/449692377.db2.gz MTCYSHJVULJVDA-UHFFFAOYSA-N 1 0 334.376 1.936 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000601188222 449741138 /nfs/dbraw/zinc/74/11/38/449741138.db2.gz DQXNRMABRVMHKU-ZDUSSCGKSA-N 1 0 325.394 1.197 20 5 EDBDRO O=C1CC[C@@H]([NH+]2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)CCN1 ZINC000602681093 449747322 /nfs/dbraw/zinc/74/73/22/449747322.db2.gz JLUUIICVYRIPCN-MRXNPFEDSA-N 1 0 346.431 1.424 20 5 EDBDRO CCn1nccc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602713712 449764539 /nfs/dbraw/zinc/76/45/39/449764539.db2.gz ADTDORVVNSLHMZ-UHFFFAOYSA-N 1 0 330.392 1.965 20 5 EDBDRO CC1([NH+]2CCOCC2)CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000599161004 449770731 /nfs/dbraw/zinc/77/07/31/449770731.db2.gz SVLKPVBTUYZONN-UHFFFAOYSA-N 1 0 348.403 1.385 20 5 EDBDRO COC(=O)c1cc(C)nc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000599163656 449772116 /nfs/dbraw/zinc/77/21/16/449772116.db2.gz GKTXSNLEUIVEPC-ZDUSSCGKSA-N 1 0 348.403 2.514 20 5 EDBDRO CC[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CO1 ZINC000594916756 449805968 /nfs/dbraw/zinc/80/59/68/449805968.db2.gz BRVHTUPPKWHUGE-DGCLKSJQSA-N 1 0 343.405 1.030 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000602823043 449835303 /nfs/dbraw/zinc/83/53/03/449835303.db2.gz VCNBZZYGLPLSSD-CYBMUJFWSA-N 1 0 337.424 1.285 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000601346940 449856911 /nfs/dbraw/zinc/85/69/11/449856911.db2.gz COOXXZINASPTPH-DTORHVGOSA-N 1 0 331.781 1.373 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)c(C)cc1[N+](=O)[O-] ZINC000595108625 449873145 /nfs/dbraw/zinc/87/31/45/449873145.db2.gz MXEZKXPVMSOBOD-RYUDHWBXSA-N 1 0 327.406 1.760 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC[N@H+]2CC[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000601362883 449876126 /nfs/dbraw/zinc/87/61/26/449876126.db2.gz XVFCHOWCFDEEPH-VIFPVBQESA-N 1 0 333.435 1.585 20 5 EDBDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1CC[NH3+] ZINC000595114298 449876183 /nfs/dbraw/zinc/87/61/83/449876183.db2.gz VPJIVYKELNCRNR-PWSUYJOCSA-N 1 0 328.394 1.128 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595121792 449882219 /nfs/dbraw/zinc/88/22/19/449882219.db2.gz RQKVRRJDELRKNT-SNVBAGLBSA-N 1 0 331.394 1.255 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000601421653 449938276 /nfs/dbraw/zinc/93/82/76/449938276.db2.gz JABCNIGTDHDDEQ-FZMZJTMJSA-N 1 0 341.433 1.870 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602894577 449902541 /nfs/dbraw/zinc/90/25/41/449902541.db2.gz XXMXZLQRWNSFJM-INIZCTEOSA-N 1 0 334.376 1.625 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC000602915660 449918400 /nfs/dbraw/zinc/91/84/00/449918400.db2.gz NYMYGNUAZFABEH-UHFFFAOYSA-N 1 0 337.424 1.286 20 5 EDBDRO CC(C)(C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000595223291 449957496 /nfs/dbraw/zinc/95/74/96/449957496.db2.gz YKALSVVYVMGKQK-AWEZNQCLSA-N 1 0 349.435 1.765 20 5 EDBDRO C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C[C@@H]1[NH3+] ZINC000595228729 449959969 /nfs/dbraw/zinc/95/99/69/449959969.db2.gz JHGKVMGWWUHHTH-OCCSQVGLSA-N 1 0 348.403 1.241 20 5 EDBDRO C[C@@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@@H]1[NH3+] ZINC000595229393 449960770 /nfs/dbraw/zinc/96/07/70/449960770.db2.gz WSEPCCQTLURAQJ-NEPJUHHUSA-N 1 0 329.360 1.590 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000595232841 449963208 /nfs/dbraw/zinc/96/32/08/449963208.db2.gz BHNRQRDXFOENNH-UHFFFAOYSA-N 1 0 346.347 1.488 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000595251659 449976117 /nfs/dbraw/zinc/97/61/17/449976117.db2.gz RMYOVDQMHFYLLX-UHFFFAOYSA-N 1 0 332.360 1.018 20 5 EDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595261367 449984051 /nfs/dbraw/zinc/98/40/51/449984051.db2.gz YAFQXTMSNIAARG-FBIMIBRVSA-N 1 0 345.758 1.913 20 5 EDBDRO CC(C)NC(=O)CN1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595286826 450002380 /nfs/dbraw/zinc/00/23/80/450002380.db2.gz MXAJVTLNRHXZAJ-UHFFFAOYSA-N 1 0 338.383 1.376 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000595353376 450067539 /nfs/dbraw/zinc/06/75/39/450067539.db2.gz HHRGPZLKPTXQJM-CYBMUJFWSA-N 1 0 341.433 1.974 20 5 EDBDRO Cc1c(C(=O)NCCCN2CCC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000609619894 450071419 /nfs/dbraw/zinc/07/14/19/450071419.db2.gz VTMDZVHONORMDB-UHFFFAOYSA-N 1 0 334.420 1.661 20 5 EDBDRO COc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000609399554 450024353 /nfs/dbraw/zinc/02/43/53/450024353.db2.gz FXCMIOIOTAZNBE-CYBMUJFWSA-N 1 0 336.392 1.744 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000595357103 450073405 /nfs/dbraw/zinc/07/34/05/450073405.db2.gz YFEJFKHREIPYNG-CYBMUJFWSA-N 1 0 341.433 1.974 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000595345963 450058325 /nfs/dbraw/zinc/05/83/25/450058325.db2.gz RERJPMZGRWIRGJ-LBPRGKRZSA-N 1 0 345.396 1.839 20 5 EDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000599575818 450078329 /nfs/dbraw/zinc/07/83/29/450078329.db2.gz ZQTHLVDEWRCDNI-NSHDSACASA-N 1 0 344.375 1.683 20 5 EDBDRO C[C@@H]1CN(CC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C[C@H](C)O1 ZINC000595374607 450087429 /nfs/dbraw/zinc/08/74/29/450087429.db2.gz HPTRFVZWKNEWCQ-QLFBSQMISA-N 1 0 349.435 1.585 20 5 EDBDRO CNc1c(C(=O)NCCCN2CCC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000613234149 450094226 /nfs/dbraw/zinc/09/42/26/450094226.db2.gz CFWCOYKWKRANFH-UHFFFAOYSA-N 1 0 349.435 1.394 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599673810 450144497 /nfs/dbraw/zinc/14/44/97/450144497.db2.gz SXRDWIOUGOMFEG-BJHJDKERSA-N 1 0 337.376 1.635 20 5 EDBDRO Cc1ccc(C[NH2+][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000610272539 450179730 /nfs/dbraw/zinc/17/97/30/450179730.db2.gz YPXZXXONKSPPQM-DOMZBBRYSA-N 1 0 343.387 1.920 20 5 EDBDRO COc1ccc([C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cn1 ZINC000599695534 450160397 /nfs/dbraw/zinc/16/03/97/450160397.db2.gz DAPFRPMNDCEACR-GDBMZVCRSA-N 1 0 347.375 1.297 20 5 EDBDRO CN1CCOC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599703045 450165229 /nfs/dbraw/zinc/16/52/29/450165229.db2.gz XCHZFXFMVLDOIM-SNVBAGLBSA-N 1 0 328.756 1.700 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000603243327 450172807 /nfs/dbraw/zinc/17/28/07/450172807.db2.gz KLAVHJLSQGFIRU-GFCCVEGCSA-N 1 0 331.376 1.785 20 5 EDBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000610264720 450174786 /nfs/dbraw/zinc/17/47/86/450174786.db2.gz MJLGODPNAMYBEY-NWDGAFQWSA-N 1 0 342.421 1.483 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000610354143 450199051 /nfs/dbraw/zinc/19/90/51/450199051.db2.gz ZDZKJGLCBKCWBY-OAHLLOKOSA-N 1 0 332.404 1.921 20 5 EDBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601779383 450234805 /nfs/dbraw/zinc/23/48/05/450234805.db2.gz QXZMLKBMMZWFEZ-PBFPGSCMSA-N 1 0 335.404 1.791 20 5 EDBDRO COC1(CO)CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000618551361 450240789 /nfs/dbraw/zinc/24/07/89/450240789.db2.gz XRUSTBLQNLZZLS-UHFFFAOYSA-N 1 0 337.376 1.397 20 5 EDBDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000610657622 450288169 /nfs/dbraw/zinc/28/81/69/450288169.db2.gz FVPNYZNMAOCKSE-UHFFFAOYSA-N 1 0 333.385 1.696 20 5 EDBDRO CC1(C)CC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC(C)(C)[NH2+]1 ZINC000603678137 450340450 /nfs/dbraw/zinc/34/04/50/450340450.db2.gz DHCOHAUSQDEIRI-UHFFFAOYSA-N 1 0 336.392 1.182 20 5 EDBDRO CC(C)c1n[nH]c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000610916855 450379779 /nfs/dbraw/zinc/37/97/79/450379779.db2.gz PVYXRBBSGMGUQE-UHFFFAOYSA-N 1 0 344.375 1.799 20 5 EDBDRO COc1cc(CCNC(=O)[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000178348800 533765293 /nfs/dbraw/zinc/76/52/93/533765293.db2.gz QBZPUIMIWLBECS-LBPRGKRZSA-N 1 0 337.376 1.413 20 5 EDBDRO CCCc1n[nH]c(C(=O)NC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000171804022 528546533 /nfs/dbraw/zinc/54/65/33/528546533.db2.gz SNFYMMGICOTBQQ-UHFFFAOYSA-N 1 0 335.408 1.875 20 5 EDBDRO CC(C)N1C(=O)N[C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000345551641 535140261 /nfs/dbraw/zinc/14/02/61/535140261.db2.gz HRUVGKVAUZOZIK-JKSUJKDBSA-N 1 0 348.403 1.850 20 5 EDBDRO C[NH+](C)Cc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000124378700 536004381 /nfs/dbraw/zinc/00/43/81/536004381.db2.gz UVGZHZLKCBBTHS-UHFFFAOYSA-N 1 0 344.371 1.135 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000353187278 536477343 /nfs/dbraw/zinc/47/73/43/536477343.db2.gz BGTIJOJZACFJAH-UONOGXRCSA-N 1 0 338.360 1.396 20 5 EDBDRO CO[C@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000261948268 536755131 /nfs/dbraw/zinc/75/51/31/536755131.db2.gz VWWMHQLTORDMDN-RYUDHWBXSA-N 1 0 343.405 1.030 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000262137499 536957051 /nfs/dbraw/zinc/95/70/51/536957051.db2.gz MAWWTBIAJUALPF-GFCCVEGCSA-N 1 0 331.394 1.255 20 5 EDBDRO Cc1nn(CCC(=O)N[C@H](C[NH+](C)C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000726628737 578352275 /nfs/dbraw/zinc/35/22/75/578352275.db2.gz LWNBATVMFPSZEL-CYBMUJFWSA-N 1 0 325.413 1.501 20 5 EDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729496370 578577481 /nfs/dbraw/zinc/57/74/81/578577481.db2.gz ACSDZFGAYZVTBH-CABCVRRESA-N 1 0 334.376 1.257 20 5 EDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC000730035665 578607911 /nfs/dbraw/zinc/60/79/11/578607911.db2.gz BVKJCRIUTONUBI-LBPRGKRZSA-N 1 0 336.392 1.326 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000735874401 578931481 /nfs/dbraw/zinc/93/14/81/578931481.db2.gz CWCPFLBUCJDZHB-JTQLQIEISA-N 1 0 332.368 1.312 20 5 EDBDRO CC[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736565919 579000412 /nfs/dbraw/zinc/00/04/12/579000412.db2.gz UKXSMRQJNBEOQS-UHFFFAOYSA-N 1 0 332.368 1.314 20 5 EDBDRO Cc1nn(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000746644335 579604619 /nfs/dbraw/zinc/60/46/19/579604619.db2.gz BHVSJGAWKSTNKP-SOUVJXGZSA-N 1 0 337.424 1.549 20 5 EDBDRO Cc1cc(C(=O)NCCCN2CCC[N@@H+](C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000749388834 579724566 /nfs/dbraw/zinc/72/45/66/579724566.db2.gz AEYGXFHCWLIKFL-UHFFFAOYSA-N 1 0 349.435 1.243 20 5 EDBDRO C/C(=C/C(=O)N1CC[NH+](C(C)(C)CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752679473 579863648 /nfs/dbraw/zinc/86/36/48/579863648.db2.gz LEIREVLGVAXWOX-OWBHPGMISA-N 1 0 347.415 1.913 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000758331013 579980045 /nfs/dbraw/zinc/98/00/45/579980045.db2.gz LWCVVIGZOMLIDC-XHDPSFHLSA-N 1 0 343.387 1.543 20 5 EDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000758773445 579991538 /nfs/dbraw/zinc/99/15/38/579991538.db2.gz YSQJSUUAOFRQRC-HZPDHXFCSA-N 1 0 348.403 1.300 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3nnnn3C3CC3)CC2)cc1 ZINC000773030888 580325366 /nfs/dbraw/zinc/32/53/66/580325366.db2.gz XIDBARFYCDZZND-UHFFFAOYSA-N 1 0 343.391 1.675 20 5 EDBDRO C[NH+]1CCC(ONC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000773540237 580340222 /nfs/dbraw/zinc/34/02/22/580340222.db2.gz GPQXRSNZXWLBIU-UHFFFAOYSA-N 1 0 327.768 1.933 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000780867532 580535972 /nfs/dbraw/zinc/53/59/72/580535972.db2.gz MPXXVFZHPMDGDK-NSHDSACASA-N 1 0 343.405 1.366 20 5 EDBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@]12CCCO2 ZINC000781424830 580549290 /nfs/dbraw/zinc/54/92/90/580549290.db2.gz ZLKQNNGYGYYSPN-YYIAUSFCSA-N 1 0 336.388 1.944 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@@H+]1C ZINC000781989266 580562737 /nfs/dbraw/zinc/56/27/37/580562737.db2.gz FZINRLKRJFMQSB-HSMVNMDESA-N 1 0 346.387 1.687 20 5 EDBDRO CC[C@]1(O)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000782550643 580577479 /nfs/dbraw/zinc/57/74/79/580577479.db2.gz DSVLQBUCFWMDHC-HNNXBMFYSA-N 1 0 325.340 1.909 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000791916196 580805135 /nfs/dbraw/zinc/80/51/35/580805135.db2.gz DEDVNXLMWRRVJZ-MLGOLLRUSA-N 1 0 348.403 1.934 20 5 EDBDRO C[N@@H+]1CC[C@@]2(CCN(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)C1 ZINC000793767114 580855255 /nfs/dbraw/zinc/85/52/55/580855255.db2.gz NRHSFGWGXPVPTM-QGZVFWFLSA-N 1 0 344.371 1.176 20 5 EDBDRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC000893282739 590752606 /nfs/dbraw/zinc/75/26/06/590752606.db2.gz GPPCRYGMYKVKIE-OCCSQVGLSA-N 1 0 341.795 1.974 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000892202553 590862908 /nfs/dbraw/zinc/86/29/08/590862908.db2.gz NCFQUIMVOLKQQK-GJZGRUSLSA-N 1 0 348.403 1.982 20 5 EDBDRO COc1ccc(CNC(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000892211724 590865216 /nfs/dbraw/zinc/86/52/16/590865216.db2.gz MBEDCYAVTSUCRF-GFCCVEGCSA-N 1 0 336.392 1.744 20 5 EDBDRO CN(CC1C[NH+](C)C1)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000892869477 591209287 /nfs/dbraw/zinc/20/92/87/591209287.db2.gz FAGAQZLQCBMLMR-UHFFFAOYSA-N 1 0 328.372 1.964 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NCC[N@H+]1CC[C@@H](O)C1 ZINC000894781175 591416754 /nfs/dbraw/zinc/41/67/54/591416754.db2.gz NABMADVGEWTPCD-LLVKDONJSA-N 1 0 336.779 1.697 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c1C ZINC000896426372 591464229 /nfs/dbraw/zinc/46/42/29/591464229.db2.gz DJHXKHMYHKQNBK-CYBMUJFWSA-N 1 0 334.420 1.577 20 5 EDBDRO C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896574388 591534701 /nfs/dbraw/zinc/53/47/01/591534701.db2.gz ZOOFVXKURWKODT-HZMBPMFUSA-N 1 0 340.811 1.612 20 5 EDBDRO Cc1cc(N[C@H]2CCc3nnn(C)c3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000896676586 591577287 /nfs/dbraw/zinc/57/72/87/591577287.db2.gz HTVHCMYIAVSLHW-NSHDSACASA-N 1 0 338.371 1.971 20 5 EDBDRO CCN1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1=O ZINC000896730282 591595732 /nfs/dbraw/zinc/59/57/32/591595732.db2.gz XXDBNASVUMVEIJ-OAHLLOKOSA-N 1 0 347.419 1.559 20 5 EDBDRO O=C(N1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC000897941624 591731536 /nfs/dbraw/zinc/73/15/36/591731536.db2.gz DRNKOCXVENRUNZ-KRWDZBQOSA-N 1 0 345.403 1.124 20 5 EDBDRO C[N@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000899734278 591929912 /nfs/dbraw/zinc/92/99/12/591929912.db2.gz YQYOFXCUVKPYMM-UHFFFAOYSA-N 1 0 346.181 1.011 20 5 EDBDRO COC[C@@H]1C[NH2+]CCN1c1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000900448597 592020820 /nfs/dbraw/zinc/02/08/20/592020820.db2.gz AEFLVUCXDPRCGS-HNNXBMFYSA-N 1 0 343.387 1.785 20 5 EDBDRO O=C(NC1CC1)c1ccc(N2CCC[C@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000900452721 592021700 /nfs/dbraw/zinc/02/17/00/592021700.db2.gz WUMICLSGOKLGDO-QGZVFWFLSA-N 1 0 330.388 1.819 20 5 EDBDRO COc1cc([C@@H](C)[NH2+]C2CN(c3ccncn3)C2)cc([N+](=O)[O-])c1 ZINC000903214594 592140687 /nfs/dbraw/zinc/14/06/87/592140687.db2.gz ZYAOMRHXQLJFRD-LLVKDONJSA-N 1 0 329.360 1.933 20 5 EDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(CO)COCCN1C ZINC000903282490 592152091 /nfs/dbraw/zinc/15/20/91/592152091.db2.gz UQCMXDDKSMQMAW-RHSMWYFYSA-N 1 0 337.420 1.199 20 5 EDBDRO O=C(CN[C@H]1CC[NH2+]C12CCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000903468428 592174662 /nfs/dbraw/zinc/17/46/62/592174662.db2.gz KQOOJEUIQKSNPD-HNNXBMFYSA-N 1 0 330.388 1.358 20 5 EDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000903590319 592234699 /nfs/dbraw/zinc/23/46/99/592234699.db2.gz UUKKWEXNIXVTCV-UHFFFAOYSA-N 1 0 329.422 1.830 20 5 EDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000903591055 592235288 /nfs/dbraw/zinc/23/52/88/592235288.db2.gz HGKNNYARSFRCDW-UHFFFAOYSA-N 1 0 333.385 1.661 20 5 EDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000908124057 592312433 /nfs/dbraw/zinc/31/24/33/592312433.db2.gz IJPAQMURKXIUDV-KRWDZBQOSA-N 1 0 335.404 1.443 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H](CO)C[NH+]2CCCC2)c1F ZINC000908202085 592379188 /nfs/dbraw/zinc/37/91/88/592379188.db2.gz IGWQJURXLLTBFK-JTQLQIEISA-N 1 0 343.330 1.368 20 5 EDBDRO O=[N+]([O-])c1cc2c(cc1CNC[C@H]1C[NH2+]CCC1(F)F)OCCO2 ZINC000903955224 592395061 /nfs/dbraw/zinc/39/50/61/592395061.db2.gz NIGLZQUWMGVPOY-LLVKDONJSA-N 1 0 343.330 1.700 20 5 EDBDRO CO[C@@]1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCSC1 ZINC000905547256 592556934 /nfs/dbraw/zinc/55/69/34/592556934.db2.gz VHCAURMKIGYAOI-DZGCQCFKSA-N 1 0 342.417 1.446 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1C[NH2+]CCN1C ZINC000912151349 593066145 /nfs/dbraw/zinc/06/61/45/593066145.db2.gz UDIBSDIKINZXJS-ZDUSSCGKSA-N 1 0 326.784 1.110 20 5 EDBDRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000912595818 593107133 /nfs/dbraw/zinc/10/71/33/593107133.db2.gz FNFAODBMAICMAH-UHFFFAOYSA-N 1 0 335.404 1.808 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]2C1 ZINC000812324768 593496664 /nfs/dbraw/zinc/49/66/64/593496664.db2.gz YVMSTGRUCYJFCH-NEPJUHHUSA-N 1 0 347.371 1.390 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000816955133 593563556 /nfs/dbraw/zinc/56/35/56/593563556.db2.gz UVNFTSOKMABYMH-GUYCJALGSA-N 1 0 344.415 1.971 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000814852748 593605084 /nfs/dbraw/zinc/60/50/84/593605084.db2.gz NBYRREXIELHKKN-CYBMUJFWSA-N 1 0 332.404 1.877 20 5 EDBDRO Cn1ncc(CCC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000815640305 593645242 /nfs/dbraw/zinc/64/52/42/593645242.db2.gz UOBYEPDRWKVNPM-KBPBESRZSA-N 1 0 333.396 1.626 20 5 EDBDRO Cn1cc([C@@H]2CN(Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]2[NH3+])cn1 ZINC000818431980 593697893 /nfs/dbraw/zinc/69/78/93/593697893.db2.gz YXGZZLHISUJOET-GXTWGEPZSA-N 1 0 335.795 1.908 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000819063041 593736863 /nfs/dbraw/zinc/73/68/63/593736863.db2.gz VXURYOJMLGSXPQ-ZWKOTPCHSA-N 1 0 349.431 1.861 20 5 EDBDRO Cn1cc(N2CCC[C@@H]([NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000819105583 593739113 /nfs/dbraw/zinc/73/91/13/593739113.db2.gz MWFMZNMAEOGXKN-RHSMWYFYSA-N 1 0 345.403 1.620 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCOC3(CCOCC3)C2)c1 ZINC000819177636 593743082 /nfs/dbraw/zinc/74/30/82/593743082.db2.gz VITXYTPXSZYNQL-GOEBONIOSA-N 1 0 336.388 1.946 20 5 EDBDRO Cc1ncc(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000819180699 593743204 /nfs/dbraw/zinc/74/32/04/593743204.db2.gz YQYJVQARAUMUPP-GFCCVEGCSA-N 1 0 337.401 1.932 20 5 EDBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1n1cccn1 ZINC000819332358 593750928 /nfs/dbraw/zinc/75/09/28/593750928.db2.gz BTBHCRJNFABDEU-NXOAAHMSSA-N 1 0 346.387 1.833 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820751927 593881397 /nfs/dbraw/zinc/88/13/97/593881397.db2.gz IVKXQTUYRLKUIZ-LDYMZIIASA-N 1 0 330.352 1.065 20 5 EDBDRO Cc1c(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000825197175 594146296 /nfs/dbraw/zinc/14/62/96/594146296.db2.gz UFLPTGRVKYTETC-QWRGUYRKSA-N 1 0 336.348 1.977 20 5 EDBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)C1 ZINC000825301444 594163365 /nfs/dbraw/zinc/16/33/65/594163365.db2.gz LITZMDHVIAMGQU-GFCCVEGCSA-N 1 0 345.407 1.943 20 5 EDBDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000828097522 594340294 /nfs/dbraw/zinc/34/02/94/594340294.db2.gz CYVGFSAOTKXVET-RDJZCZTQSA-N 1 0 335.404 1.791 20 5 EDBDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1F ZINC000830589601 594430432 /nfs/dbraw/zinc/43/04/32/594430432.db2.gz XATUBZBEJABFGA-GFCCVEGCSA-N 1 0 325.340 1.311 20 5 EDBDRO COCC[N@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@@H]1C ZINC000826634035 594544036 /nfs/dbraw/zinc/54/40/36/594544036.db2.gz WBDYDVXNKHBCAK-PHIMTYICSA-N 1 0 326.372 1.862 20 5 EDBDRO CCC(=O)c1ccc(N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000826685684 594555441 /nfs/dbraw/zinc/55/54/41/594555441.db2.gz MKIQBKPXZFSYNT-LBPRGKRZSA-N 1 0 348.403 1.744 20 5 EDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000826722644 594564131 /nfs/dbraw/zinc/56/41/31/594564131.db2.gz UTTRVNFTOIMQBD-LLVKDONJSA-N 1 0 338.383 1.872 20 5 EDBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@H]1[NH+](C)C ZINC000831299779 594603004 /nfs/dbraw/zinc/60/30/04/594603004.db2.gz MXMFQXCGVSFSID-CHWSQXEVSA-N 1 0 327.381 1.852 20 5 EDBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@@H]1[NH+](C)C ZINC000831299783 594603059 /nfs/dbraw/zinc/60/30/59/594603059.db2.gz MXMFQXCGVSFSID-QWHCGFSZSA-N 1 0 327.381 1.852 20 5 EDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826965918 594612554 /nfs/dbraw/zinc/61/25/54/594612554.db2.gz DUQZAXDEFGOIDW-GJZGRUSLSA-N 1 0 339.392 1.101 20 5 EDBDRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841104541 594851555 /nfs/dbraw/zinc/85/15/55/594851555.db2.gz YEIBNZVJIIJSOM-SNVBAGLBSA-N 1 0 328.756 1.748 20 5 EDBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000841161074 594860771 /nfs/dbraw/zinc/86/07/71/594860771.db2.gz IZIKWRTUYKCABS-NSHDSACASA-N 1 0 348.403 1.638 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841977572 594994162 /nfs/dbraw/zinc/99/41/62/594994162.db2.gz RCVFESKSGMMUTF-CZUORRHYSA-N 1 0 347.419 1.424 20 5 EDBDRO Cc1nc([N+](=O)[O-])c(-c2noc(C[C@H]([NH3+])c3ccccc3)n2)n1C ZINC000843221342 595042298 /nfs/dbraw/zinc/04/22/98/595042298.db2.gz HXSBYXORPRDOIU-NSHDSACASA-N 1 0 328.332 1.929 20 5 EDBDRO CC1(C)C[NH2+]CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843352590 595083459 /nfs/dbraw/zinc/08/34/59/595083459.db2.gz NZPROOZSAPRNLL-UHFFFAOYSA-N 1 0 326.784 1.871 20 5 EDBDRO C[C@@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000843353470 595084680 /nfs/dbraw/zinc/08/46/80/595084680.db2.gz JIOUSHDNUUYEHV-SKDRFNHKSA-N 1 0 326.784 1.856 20 5 EDBDRO C[C@]1(F)C[NH2+]CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843388436 595097053 /nfs/dbraw/zinc/09/70/53/595097053.db2.gz ZUUGKUYPZTUJRW-AWEZNQCLSA-N 1 0 344.774 1.820 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000842480064 595116315 /nfs/dbraw/zinc/11/63/15/595116315.db2.gz OKAZUDKWNAFUPN-VHSXEESVSA-N 1 0 347.824 1.962 20 5 EDBDRO Cc1c(C(=O)N2CCCO[C@H](C[NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000842510014 595123322 /nfs/dbraw/zinc/12/33/22/595123322.db2.gz NMBPGNYQLSQWRX-LLVKDONJSA-N 1 0 338.320 1.001 20 5 EDBDRO Cc1cc(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)ccc1[N+](=O)[O-] ZINC000842701679 595174518 /nfs/dbraw/zinc/17/45/18/595174518.db2.gz SRMXMXLQRXZRKL-UHFFFAOYSA-N 1 0 349.412 1.883 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC(C)([NH3+])CC2)cc([N+](=O)[O-])c1F ZINC000842775692 595194951 /nfs/dbraw/zinc/19/49/51/595194951.db2.gz SWWLKAAJYFXRQN-UHFFFAOYSA-N 1 0 331.369 1.544 20 5 EDBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000842887882 595226148 /nfs/dbraw/zinc/22/61/48/595226148.db2.gz NPCPQOCZSZYNMV-VIFPVBQESA-N 1 0 346.365 1.135 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](O)c2ccccc2Cl)c1 ZINC000843066276 595278937 /nfs/dbraw/zinc/27/89/37/595278937.db2.gz QFONOSKVCZZLIS-SMDDNHRTSA-N 1 0 340.767 1.129 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000106817032 595409143 /nfs/dbraw/zinc/40/91/43/595409143.db2.gz DCDNWSKBFLJAHP-NSHDSACASA-N 1 0 340.811 1.614 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)C(F)(F)Oc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000848591730 595412107 /nfs/dbraw/zinc/41/21/07/595412107.db2.gz XDAJFXRQWCTKMC-ZWNOBZJWSA-N 1 0 341.314 1.729 20 5 EDBDRO C[NH+](C)CCn1cc(CNC(=O)Nc2ccccc2[N+](=O)[O-])nn1 ZINC000849136515 595485367 /nfs/dbraw/zinc/48/53/67/595485367.db2.gz HIJGOBWYSROYOL-UHFFFAOYSA-N 1 0 333.352 1.070 20 5 EDBDRO C[C@H](CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[NH+](C)C ZINC000850596801 595544748 /nfs/dbraw/zinc/54/47/48/595544748.db2.gz WJZIRMMBQWPYEA-SECBINFHSA-N 1 0 342.783 1.643 20 5 EDBDRO [NH3+]CC1(CCNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000857767407 595601590 /nfs/dbraw/zinc/60/15/90/595601590.db2.gz BVPUOPYOVTXAOW-UHFFFAOYSA-N 1 0 329.303 1.812 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000855162417 595617424 /nfs/dbraw/zinc/61/74/24/595617424.db2.gz JJFVPXJDLQMAJA-DOMZBBRYSA-N 1 0 335.404 1.865 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000855166802 595617849 /nfs/dbraw/zinc/61/78/49/595617849.db2.gz QCVBWYDWJBPZEO-CYBMUJFWSA-N 1 0 349.387 1.775 20 5 EDBDRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000850849276 595653442 /nfs/dbraw/zinc/65/34/42/595653442.db2.gz WEWPDIOGQHVYIX-UHFFFAOYSA-N 1 0 338.751 1.136 20 5 EDBDRO O=[N+]([O-])c1cn(CN2CC[NH+](CC3CC3)CC2)nc1-c1ccccn1 ZINC000853491130 595767321 /nfs/dbraw/zinc/76/73/21/595767321.db2.gz MFNAJJCBTPYDQS-UHFFFAOYSA-N 1 0 342.403 1.838 20 5 EDBDRO CN1CCOC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000858521361 595817062 /nfs/dbraw/zinc/81/70/62/595817062.db2.gz MWSKCTNPAXZASW-QGZVFWFLSA-N 1 0 334.420 1.484 20 5 EDBDRO C[NH+](C)C1CC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000857229369 596192469 /nfs/dbraw/zinc/19/24/69/596192469.db2.gz RAKWEONXGBKDTR-UHFFFAOYSA-N 1 0 348.403 1.254 20 5 EDBDRO CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852697747 596229058 /nfs/dbraw/zinc/22/90/58/596229058.db2.gz CJFPIVVVEPNIJE-GDBMZVCRSA-N 1 0 335.404 1.865 20 5 EDBDRO C[C@@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)C[C@H](C)[N@H+]1CCO ZINC000865854468 596703083 /nfs/dbraw/zinc/70/30/83/596703083.db2.gz QDUCOHFARRJDGU-PHIMTYICSA-N 1 0 327.356 1.118 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1C ZINC000871812358 596708605 /nfs/dbraw/zinc/70/86/05/596708605.db2.gz CZUXSMLBDFTFNM-SWLSCSKDSA-N 1 0 339.417 1.442 20 5 EDBDRO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000871815416 596711028 /nfs/dbraw/zinc/71/10/28/596711028.db2.gz VVMPEGIPRDBPTG-TVQRCGJNSA-N 1 0 345.808 1.478 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000868233630 596738631 /nfs/dbraw/zinc/73/86/31/596738631.db2.gz XRRUDYVRFAZICP-CZUORRHYSA-N 1 0 348.403 1.709 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000872218925 596840609 /nfs/dbraw/zinc/84/06/09/596840609.db2.gz BZHFOEYPCVSMQF-XCKJKVLWSA-N 1 0 334.372 1.348 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000874169926 596949935 /nfs/dbraw/zinc/94/99/35/596949935.db2.gz QRRHHJJYCAROJR-TZMCWYRMSA-N 1 0 346.387 1.394 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000873833719 597410567 /nfs/dbraw/zinc/41/05/67/597410567.db2.gz WIEJHHAFWKMJRA-UHFFFAOYSA-N 1 0 334.420 1.579 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@]3(O)CCc4ccccc43)C2)c1 ZINC000877111053 597435351 /nfs/dbraw/zinc/43/53/51/597435351.db2.gz CZAWKJGPKNUWAU-MQBCKMQZSA-N 1 0 328.372 1.918 20 5 EDBDRO C[N@@H+]1CCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CCC1(C)C ZINC000877207118 597462792 /nfs/dbraw/zinc/46/27/92/597462792.db2.gz ZNEDYSBGDUSEFX-KRWDZBQOSA-N 1 0 334.420 1.711 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877368345 597502825 /nfs/dbraw/zinc/50/28/25/597502825.db2.gz HQTRSPJSJUGNPV-KCJUWKMLSA-N 1 0 347.293 1.813 20 5 EDBDRO Cn1cc(C[N@@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c([N+](=O)[O-])n1 ZINC000877570465 597537237 /nfs/dbraw/zinc/53/72/37/597537237.db2.gz IQYFDDNPNMXPJH-OCCSQVGLSA-N 1 0 336.392 1.836 20 5 EDBDRO CC(C)(O)[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000879962287 597785757 /nfs/dbraw/zinc/78/57/57/597785757.db2.gz LWXXHGIXULABST-AWEZNQCLSA-N 1 0 347.415 1.967 20 5 EDBDRO Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cn(C)nc2[N+](=O)[O-])cn1 ZINC000880520830 597953839 /nfs/dbraw/zinc/95/38/39/597953839.db2.gz JNDKKBUIRXGRBN-PHTAMDTFSA-N 1 0 330.392 1.972 20 5 EDBDRO C[NH+](C)C1CC(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000916956866 696852685 /nfs/dbraw/zinc/85/26/85/696852685.db2.gz YXUIYYKCXIEDCK-UHFFFAOYSA-N 1 0 333.797 1.619 20 5 EDBDRO C[N@H+]1C[C@]2(C)CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000918351903 697156578 /nfs/dbraw/zinc/15/65/78/697156578.db2.gz PCUVQUICQQDVMJ-GASCZTMLSA-N 1 0 339.417 1.557 20 5 EDBDRO Cc1noc(C)c1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000940107977 700220394 /nfs/dbraw/zinc/22/03/94/700220394.db2.gz UAJVNIZXYSASID-TZMCWYRMSA-N 1 0 336.392 1.427 20 5 EDBDRO CC1([NH2+]Cc2cccc(F)c2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000940108152 700220844 /nfs/dbraw/zinc/22/08/44/700220844.db2.gz XITVHCJXQQZCQV-HUUCEWRRSA-N 1 0 335.379 1.962 20 5 EDBDRO COc1cc(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c([N+](=O)[O-])cc1OC ZINC000922726666 704274960 /nfs/dbraw/zinc/27/49/60/704274960.db2.gz WOMDCVQHAGUSTC-HSMVNMDESA-N 1 0 338.360 1.506 20 5 EDBDRO Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC000997770864 704676410 /nfs/dbraw/zinc/67/64/10/704676410.db2.gz ZUUISYWVZQAUPO-ZIAGYGMSSA-N 1 0 338.433 1.445 20 5 EDBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1cnccn1 ZINC001002257981 708755622 /nfs/dbraw/zinc/75/56/22/708755622.db2.gz ILFAQTWIYLSVDK-UHFFFAOYSA-N 1 0 341.371 1.779 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CC[C@H](NC(=O)c2ccco2)CC1 ZINC001034581189 710252370 /nfs/dbraw/zinc/25/23/70/710252370.db2.gz VUYDUDIGIATQOS-HAQNSBGRSA-N 1 0 347.375 1.752 20 5 EDBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000054129175 214218312 /nfs/dbraw/zinc/21/83/12/214218312.db2.gz HMUJSDLNHRTVCR-CYBMUJFWSA-N 1 0 339.367 1.821 20 5 EDBDRO C[C@@H]1C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000054173985 214221973 /nfs/dbraw/zinc/22/19/73/214221973.db2.gz VGBFNKYVZGGGQJ-VXGBXAGGSA-N 1 0 339.367 1.963 20 5 EDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(NC(N)=O)CC1 ZINC000174917718 231343343 /nfs/dbraw/zinc/34/33/43/231343343.db2.gz NGYLYOHDWDEXEN-SNVBAGLBSA-N 1 0 335.364 1.055 20 5 EDBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181078045 529904042 /nfs/dbraw/zinc/90/40/42/529904042.db2.gz WRKNNVFVFMPGTB-UHFFFAOYSA-N 1 0 349.435 1.275 20 5 EDBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000067398276 215140926 /nfs/dbraw/zinc/14/09/26/215140926.db2.gz BPFZDCTZXKKHHC-QWHCGFSZSA-N 1 0 348.403 1.770 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068132259 215280431 /nfs/dbraw/zinc/28/04/31/215280431.db2.gz NXYNLOYUZHJURB-CQSZACIVSA-N 1 0 348.403 1.233 20 5 EDBDRO COCC[N@H+](C)C[C@@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000562478458 306299759 /nfs/dbraw/zinc/29/97/59/306299759.db2.gz HNJWCJDCYWGNJZ-HIFRSBDPSA-N 1 0 325.409 1.493 20 5 EDBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000563162986 306321171 /nfs/dbraw/zinc/32/11/71/306321171.db2.gz JMQMKZHVLWUSIO-CMPLNLGQSA-N 1 0 333.344 1.441 20 5 EDBDRO Cc1c([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000183462003 235092633 /nfs/dbraw/zinc/09/26/33/235092633.db2.gz LZVIZNLHOGTLBF-NSHDSACASA-N 1 0 331.376 1.950 20 5 EDBDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000184269750 235351893 /nfs/dbraw/zinc/35/18/93/235351893.db2.gz FAKAQMLMXKJMOP-QVQLBTGDSA-N 1 0 336.417 1.852 20 5 EDBDRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000055221483 138146381 /nfs/dbraw/zinc/14/63/81/138146381.db2.gz ZGYILXWLRLVWOQ-UHFFFAOYSA-N 1 0 345.396 1.887 20 5 EDBDRO O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000125568079 138334956 /nfs/dbraw/zinc/33/49/56/138334956.db2.gz SDVYITMDOUQMPO-TZMCWYRMSA-N 1 0 346.387 1.524 20 5 EDBDRO O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000125568324 138334966 /nfs/dbraw/zinc/33/49/66/138334966.db2.gz SDVYITMDOUQMPO-OCCSQVGLSA-N 1 0 346.387 1.524 20 5 EDBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000188026992 236390290 /nfs/dbraw/zinc/39/02/90/236390290.db2.gz VIXVNHKECPNGLY-UHFFFAOYSA-N 1 0 335.360 1.880 20 5 EDBDRO CCc1nc(C)c(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000564205128 306356720 /nfs/dbraw/zinc/35/67/20/306356720.db2.gz WMCDGKWXKDTIPX-GFCCVEGCSA-N 1 0 335.360 1.983 20 5 EDBDRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000130662166 223167861 /nfs/dbraw/zinc/16/78/61/223167861.db2.gz IHOOWMOXOZYJPV-KGLIPLIRSA-N 1 0 346.387 1.118 20 5 EDBDRO Cc1cc(OC[C@@H](O)CN2CC[NH+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000414120052 304101097 /nfs/dbraw/zinc/10/10/97/304101097.db2.gz AJIIPFKGZFRKKZ-LBPRGKRZSA-N 1 0 343.811 1.544 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cccc3c2OC(F)(F)O3)c1 ZINC000414384087 304113220 /nfs/dbraw/zinc/11/32/20/304113220.db2.gz UUZZTUMQCIRYCU-UHFFFAOYSA-N 1 0 326.259 1.903 20 5 EDBDRO COC(=O)COc1ccc(CN(C)C2(C[NH3+])CCC2)cc1[N+](=O)[O-] ZINC000414785895 304140426 /nfs/dbraw/zinc/14/04/26/304140426.db2.gz KAGPNZHJNINYIG-UHFFFAOYSA-N 1 0 337.376 1.460 20 5 EDBDRO COc1ccc(-c2ccc(CNC[C@@H]3C[NH2+]CCO3)o2)c([N+](=O)[O-])c1 ZINC000415098594 304159564 /nfs/dbraw/zinc/15/95/64/304159564.db2.gz WEQIVIAPNFASOE-AWEZNQCLSA-N 1 0 347.371 1.941 20 5 EDBDRO C[NH+](C)CCNC(=O)C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000195519290 139019402 /nfs/dbraw/zinc/01/94/02/139019402.db2.gz RINZJLRNKYHLTN-UHFFFAOYSA-N 1 0 340.449 1.546 20 5 EDBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000236599350 139026755 /nfs/dbraw/zinc/02/67/55/139026755.db2.gz NLKYKNATIUQMND-LLVKDONJSA-N 1 0 343.405 1.102 20 5 EDBDRO C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000078713713 217107228 /nfs/dbraw/zinc/10/72/28/217107228.db2.gz HHIOXJWNUCAPBQ-NSHDSACASA-N 1 0 340.811 1.614 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000237205003 139044199 /nfs/dbraw/zinc/04/41/99/139044199.db2.gz QDQCVYLPLQTVFE-ZYHUDNBSSA-N 1 0 343.405 1.494 20 5 EDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000237928227 139064047 /nfs/dbraw/zinc/06/40/47/139064047.db2.gz WXFYJJHDAYACTP-QWHCGFSZSA-N 1 0 344.375 1.423 20 5 EDBDRO C[C@@H](CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)CS(C)(=O)=O ZINC000246423014 139107944 /nfs/dbraw/zinc/10/79/44/139107944.db2.gz CCSXXMDEEDBROY-NWDGAFQWSA-N 1 0 342.421 1.157 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000247449870 139148912 /nfs/dbraw/zinc/14/89/12/139148912.db2.gz QDLVSVUTAWZGEI-IINYFYTJSA-N 1 0 336.348 1.915 20 5 EDBDRO CCCN(C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[C@@H]1CC[NH2+]C1 ZINC000415410854 304216307 /nfs/dbraw/zinc/21/63/07/304216307.db2.gz VZLCWZUSVOGQFL-CYBMUJFWSA-N 1 0 348.403 1.751 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000249124609 139186659 /nfs/dbraw/zinc/18/66/59/139186659.db2.gz CFZALFPQYMZZHX-BXUZGUMPSA-N 1 0 334.376 1.332 20 5 EDBDRO [NH3+][C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CCOCC1 ZINC000261747522 139222694 /nfs/dbraw/zinc/22/26/94/139222694.db2.gz KZQBNPMEAWPCKP-ZDUSSCGKSA-N 1 0 327.768 1.618 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000415488300 304223905 /nfs/dbraw/zinc/22/39/05/304223905.db2.gz VGOIEJOXKKTFQF-AWEZNQCLSA-N 1 0 347.419 1.723 20 5 EDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000261922199 139237336 /nfs/dbraw/zinc/23/73/36/139237336.db2.gz ZOKVUARZTVVCJW-WDEREUQCSA-N 1 0 335.360 1.104 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000262001139 139243081 /nfs/dbraw/zinc/24/30/81/139243081.db2.gz PVCICYVJPHILEZ-QWHCGFSZSA-N 1 0 343.387 1.980 20 5 EDBDRO O=C(NCC1C[NH2+]C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000262029187 139244941 /nfs/dbraw/zinc/24/49/41/139244941.db2.gz OFUJCLJOPLJTBJ-UHFFFAOYSA-N 1 0 333.266 1.485 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000262139035 139254281 /nfs/dbraw/zinc/25/42/81/139254281.db2.gz MEBSIDGJZUCGLS-CQSZACIVSA-N 1 0 329.422 1.945 20 5 EDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262192431 139258765 /nfs/dbraw/zinc/25/87/65/139258765.db2.gz MEDIJUBHXUHWPD-SUMWQHHRSA-N 1 0 332.404 1.903 20 5 EDBDRO C[C@@]1(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000262296011 139267472 /nfs/dbraw/zinc/26/74/72/139267472.db2.gz NXQSBKROHRDKIX-CQSZACIVSA-N 1 0 327.406 1.800 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C)N(CCO)C[C@H]1C ZINC000416996060 251123823 /nfs/dbraw/zinc/12/38/23/251123823.db2.gz MGAMLLDTAHPNPL-QWHCGFSZSA-N 1 0 336.392 1.822 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000417222084 251148374 /nfs/dbraw/zinc/14/83/74/251148374.db2.gz DZGCEWFELRBWCT-LBPRGKRZSA-N 1 0 328.319 1.434 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000262464532 139280905 /nfs/dbraw/zinc/28/09/05/139280905.db2.gz IVCBXVRFAVNIHW-AAEUAGOBSA-N 1 0 325.390 1.276 20 5 EDBDRO CS(=O)(=O)c1ccc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000262520129 139283932 /nfs/dbraw/zinc/28/39/32/139283932.db2.gz NZJWIGHLYRZLHD-DLOVCJGASA-N 1 0 325.390 1.172 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000262570348 139287341 /nfs/dbraw/zinc/28/73/41/139287341.db2.gz GOOLOHSDZKECTA-CHWSQXEVSA-N 1 0 343.387 1.980 20 5 EDBDRO COc1cc(S(=O)(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000420417586 251713222 /nfs/dbraw/zinc/71/32/22/251713222.db2.gz FKLHLOFUYSBFED-GHMZBOCLSA-N 1 0 343.405 1.351 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000262816958 139305675 /nfs/dbraw/zinc/30/56/75/139305675.db2.gz ZOPXQSYAAYTKGZ-QPUJVOFHSA-N 1 0 347.824 1.833 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CCC3(CC[NH2+]3)CC2)cc([N+](=O)[O-])c1 ZINC000424052788 252126143 /nfs/dbraw/zinc/12/61/43/252126143.db2.gz NBEOCUJUOULRDL-UHFFFAOYSA-N 1 0 347.371 1.740 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000424044751 252123232 /nfs/dbraw/zinc/12/32/32/252123232.db2.gz KLFVPJKNBGMMEZ-YUSALJHKSA-N 1 0 338.412 1.084 20 5 EDBDRO Cc1c(CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)cccc1[N+](=O)[O-] ZINC000423795835 252076688 /nfs/dbraw/zinc/07/66/88/252076688.db2.gz FWOGLPQBRWTTMD-GFCCVEGCSA-N 1 0 329.360 1.633 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000415661302 304250640 /nfs/dbraw/zinc/25/06/40/304250640.db2.gz QDWRBWSCXTUOPG-LBPRGKRZSA-N 1 0 338.364 1.575 20 5 EDBDRO NC(=O)N1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000153607205 224130124 /nfs/dbraw/zinc/13/01/24/224130124.db2.gz WLHJGSIRNXSYLD-UHFFFAOYSA-N 1 0 335.364 1.010 20 5 EDBDRO O=C(C[N@@H+]1CC[C@]2(CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000153689860 224142544 /nfs/dbraw/zinc/14/25/44/224142544.db2.gz VLZLXRNNXLUUCH-KRWDZBQOSA-N 1 0 331.372 1.596 20 5 EDBDRO Cc1cc(NC(=O)N2CCC([N@H+](C)CCO)CC2)ccc1[N+](=O)[O-] ZINC000153674397 224140528 /nfs/dbraw/zinc/14/05/28/224140528.db2.gz RBGODNHRQROFFV-UHFFFAOYSA-N 1 0 336.392 1.824 20 5 EDBDRO O=c1[nH]c(N2CC[C@@H]([NH+]3CCCC3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000370466950 285149810 /nfs/dbraw/zinc/14/98/10/285149810.db2.gz CHGWZAVOVVUTNU-GFCCVEGCSA-N 1 0 329.360 1.918 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)n1 ZINC000370095374 285168019 /nfs/dbraw/zinc/16/80/19/285168019.db2.gz UQRSZSCSNFNVBQ-GFCCVEGCSA-N 1 0 335.339 1.869 20 5 EDBDRO O=C(NCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448597327 254635248 /nfs/dbraw/zinc/63/52/48/254635248.db2.gz OPWMDDKNMTXEET-UHFFFAOYSA-N 1 0 343.387 1.996 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000154345023 224241120 /nfs/dbraw/zinc/24/11/20/224241120.db2.gz IJGHFARMSDAQLL-AWEZNQCLSA-N 1 0 325.390 1.277 20 5 EDBDRO CC(C)[C@@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@@H+]1C ZINC000489332909 255067063 /nfs/dbraw/zinc/06/70/63/255067063.db2.gz PKBGSKDCEBJPCR-ZDUSSCGKSA-N 1 0 335.360 1.736 20 5 EDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000493498923 255212295 /nfs/dbraw/zinc/21/22/95/255212295.db2.gz RZEOFBUHYOBFOG-MVGZEHJDSA-N 1 0 333.388 1.571 20 5 EDBDRO Cc1c(NC(=O)C(=O)NCCC[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000415798144 304273686 /nfs/dbraw/zinc/27/36/86/304273686.db2.gz AECNKZKKMFLDGW-GFCCVEGCSA-N 1 0 334.376 1.490 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000117256175 221039261 /nfs/dbraw/zinc/03/92/61/221039261.db2.gz FOIKOXRJGWODTB-UHFFFAOYSA-N 1 0 344.371 1.604 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000154755751 224300322 /nfs/dbraw/zinc/30/03/22/224300322.db2.gz HYWSJSWYJYIYFL-ZIAGYGMSSA-N 1 0 335.408 1.433 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000120081608 221476012 /nfs/dbraw/zinc/47/60/12/221476012.db2.gz XDSGBJHNDHJWGV-UHFFFAOYSA-N 1 0 347.375 1.911 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415864849 304282554 /nfs/dbraw/zinc/28/25/54/304282554.db2.gz IISROYAYDBXSFB-OLZOCXBDSA-N 1 0 346.387 1.164 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171584702 533299454 /nfs/dbraw/zinc/29/94/54/533299454.db2.gz OQMODFQLOSOLEM-IUODEOHRSA-N 1 0 346.387 1.020 20 5 EDBDRO O=[N+]([O-])c1cnc(N2CCC([NH2+]CCO)CC2)c(Br)c1 ZINC000270568213 140125436 /nfs/dbraw/zinc/12/54/36/140125436.db2.gz NUJXCDZCDLPKTH-UHFFFAOYSA-N 1 0 345.197 1.303 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@H]1[NH+](C)C ZINC000270774007 140166408 /nfs/dbraw/zinc/16/64/08/140166408.db2.gz FJSCFUNMKWOQCS-MLGOLLRUSA-N 1 0 343.387 1.803 20 5 EDBDRO C[C@]1(CCCO)CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000271195462 140254773 /nfs/dbraw/zinc/25/47/73/140254773.db2.gz OJPIMNCTSNJJCQ-DOTOQJQBSA-N 1 0 338.404 1.962 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000271388626 140289262 /nfs/dbraw/zinc/28/92/62/140289262.db2.gz LMYAZLLLECCXSQ-UHFFFAOYSA-N 1 0 335.404 1.707 20 5 EDBDRO C[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000271684718 140333521 /nfs/dbraw/zinc/33/35/21/140333521.db2.gz DGAAFTQOLWOVSG-CHWSQXEVSA-N 1 0 341.433 1.917 20 5 EDBDRO C[C@H]1CC[C@@H]([N@H+](CCO)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000331590640 141053065 /nfs/dbraw/zinc/05/30/65/141053065.db2.gz BDSRGQSTBSOIDH-DZGCQCFKSA-N 1 0 347.415 1.967 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1C ZINC000332680268 141228112 /nfs/dbraw/zinc/22/81/12/141228112.db2.gz SDKNNAJETXHXAI-QWHCGFSZSA-N 1 0 343.387 1.993 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(CCOc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000339388259 142034199 /nfs/dbraw/zinc/03/41/99/142034199.db2.gz ZSABPQXBXHPFBU-SJORKVTESA-N 1 0 335.404 1.769 20 5 EDBDRO O=C1[C@@H]([N@@H+]2CCC[C@@H](CO)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000339752606 142145230 /nfs/dbraw/zinc/14/52/30/142145230.db2.gz FHTNWRBIFMXKMS-CJNGLKHVSA-N 1 0 333.388 1.795 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000342724008 142749748 /nfs/dbraw/zinc/74/97/48/142749748.db2.gz BRUYPJVUTBJYPU-HZPDHXFCSA-N 1 0 349.431 1.895 20 5 EDBDRO CO[C@H]1C[C@H](CN(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[N@H+](C)C1 ZINC000345133237 143055306 /nfs/dbraw/zinc/05/53/06/143055306.db2.gz OVEFVCWXDJSMQE-OLZOCXBDSA-N 1 0 333.392 1.622 20 5 EDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 ZINC000345705737 143123518 /nfs/dbraw/zinc/12/35/18/143123518.db2.gz KXJHIPJROHUWLP-ZFWWWQNUSA-N 1 0 340.401 1.421 20 5 EDBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000346493233 143210738 /nfs/dbraw/zinc/21/07/38/143210738.db2.gz SPOYWRYQWXIOIO-RISCZKNCSA-N 1 0 343.405 1.030 20 5 EDBDRO COc1cc(OCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000347006126 143270452 /nfs/dbraw/zinc/27/04/52/143270452.db2.gz MKBQWSNBZKIDAL-CYBMUJFWSA-N 1 0 349.387 1.677 20 5 EDBDRO CNc1c(C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)cccc1[N+](=O)[O-] ZINC000347228956 143297555 /nfs/dbraw/zinc/29/75/55/143297555.db2.gz ZRYHCNNGLRHVKG-DGCLKSJQSA-N 1 0 336.392 1.164 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)n1 ZINC000347324458 143308792 /nfs/dbraw/zinc/30/87/92/143308792.db2.gz DABMHFGWPPNWQS-XHDPSFHLSA-N 1 0 348.363 1.787 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000347530381 143331896 /nfs/dbraw/zinc/33/18/96/143331896.db2.gz URDCKLAIPXYXSO-UHFFFAOYSA-N 1 0 343.387 1.157 20 5 EDBDRO CC[NH+]1C[C@H](C)N(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000347695842 143350898 /nfs/dbraw/zinc/35/08/98/143350898.db2.gz ALSHNXSPHWUGPT-KKUMJFAQSA-N 1 0 337.420 1.749 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000347943361 143381986 /nfs/dbraw/zinc/38/19/86/143381986.db2.gz OYUPTZVSYAUREL-NWDGAFQWSA-N 1 0 339.367 1.674 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@H]2CC[C@@H]2C2CC2)c1 ZINC000348063817 143396730 /nfs/dbraw/zinc/39/67/30/143396730.db2.gz NJVOVCJRBWNYLU-CABCVRRESA-N 1 0 339.417 1.651 20 5 EDBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000352574389 149070371 /nfs/dbraw/zinc/07/03/71/149070371.db2.gz GRTCWBULXXNCRR-LBPRGKRZSA-N 1 0 329.422 1.994 20 5 EDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCn1cc(CO)nn1 ZINC000353197478 149321005 /nfs/dbraw/zinc/32/10/05/149321005.db2.gz WLAQVGKAPJPWAE-JYRVWZFOSA-N 1 0 331.376 1.762 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]CC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000353219709 149329564 /nfs/dbraw/zinc/32/95/64/149329564.db2.gz CJQXNLRCMCWJHV-LBPRGKRZSA-N 1 0 338.360 1.663 20 5 EDBDRO C[C@@H]1C[NH+](C[C@H](O)CN(C)Cc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000353322012 149364598 /nfs/dbraw/zinc/36/45/98/149364598.db2.gz TVGNNGANISIDQX-IIAWOOMASA-N 1 0 337.420 1.497 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000354303596 149750256 /nfs/dbraw/zinc/75/02/56/149750256.db2.gz NWISNQZQRPXNBS-UHFFFAOYSA-N 1 0 348.403 1.648 20 5 EDBDRO COC(=O)COc1ccc(C[N@H+](C)CC2CC(O)C2)cc1[N+](=O)[O-] ZINC000355045617 150089432 /nfs/dbraw/zinc/08/94/32/150089432.db2.gz AMQUMPPPSZGGFL-UHFFFAOYSA-N 1 0 338.360 1.349 20 5 EDBDRO C[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C[NH+](C)C ZINC000355703456 150366669 /nfs/dbraw/zinc/36/66/69/150366669.db2.gz BQZGUNAGWNQSIQ-LBPRGKRZSA-N 1 0 331.376 1.708 20 5 EDBDRO O=C(CN1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000357075317 150913989 /nfs/dbraw/zinc/91/39/89/150913989.db2.gz GUFSIXZNBQJLJC-ZIAGYGMSSA-N 1 0 330.388 1.025 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357092240 150921257 /nfs/dbraw/zinc/92/12/57/150921257.db2.gz UDSXKXZPDRDDMV-XQQFMLRXSA-N 1 0 348.403 1.472 20 5 EDBDRO O=C([C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1)N1CCCCCC1 ZINC000370031146 155291023 /nfs/dbraw/zinc/29/10/23/155291023.db2.gz YQFKBJWWZQHOAV-OAHLLOKOSA-N 1 0 349.435 1.906 20 5 EDBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000358038687 151243728 /nfs/dbraw/zinc/24/37/28/151243728.db2.gz BZSDJJCROJIQHB-MRXNPFEDSA-N 1 0 339.367 1.194 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261857775 286249556 /nfs/dbraw/zinc/24/95/56/286249556.db2.gz KBMRGBMELGVWBG-PWSUYJOCSA-N 1 0 343.405 1.351 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ncn(C)n1 ZINC000358371804 151353376 /nfs/dbraw/zinc/35/33/76/151353376.db2.gz AKNNMVCKMDZECV-NSHDSACASA-N 1 0 332.364 1.273 20 5 EDBDRO COc1ccc(NC(=O)CN2CCC3(C2)CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000358509056 151399742 /nfs/dbraw/zinc/39/97/42/151399742.db2.gz PUDDLTRFFAFTAZ-UHFFFAOYSA-N 1 0 348.403 1.617 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000360573055 152103447 /nfs/dbraw/zinc/10/34/47/152103447.db2.gz ZHIBOHRHYNOUPN-MRXNPFEDSA-N 1 0 329.360 1.830 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000360902245 152246729 /nfs/dbraw/zinc/24/67/29/152246729.db2.gz XLGBFKQJZXAULS-GFCCVEGCSA-N 1 0 339.440 1.649 20 5 EDBDRO Cc1nn(CCC(=O)N[C@H]2C[C@H]2C2CC[NH2+]CC2)c(C)c1[N+](=O)[O-] ZINC000361100456 152304620 /nfs/dbraw/zinc/30/46/20/152304620.db2.gz YJKORUJUKBIUAN-KBPBESRZSA-N 1 0 335.408 1.303 20 5 EDBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000361209578 152335659 /nfs/dbraw/zinc/33/56/59/152335659.db2.gz GTBHHPLAUWMMSU-OAHLLOKOSA-N 1 0 349.431 1.736 20 5 EDBDRO CNc1c(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000361219562 152339177 /nfs/dbraw/zinc/33/91/77/152339177.db2.gz FREJXVCSABABFQ-LBPRGKRZSA-N 1 0 335.408 1.002 20 5 EDBDRO CN(C(=O)CN1CC[C@@H]2CC[N@H+](C)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000370148815 155348083 /nfs/dbraw/zinc/34/80/83/155348083.db2.gz CMXMHNIFFKHNPC-XJKSGUPXSA-N 1 0 332.404 1.584 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000370174134 155362650 /nfs/dbraw/zinc/36/26/50/155362650.db2.gz PVTAKFJQYNLNAV-GXTWGEPZSA-N 1 0 339.417 1.530 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417178657 304381117 /nfs/dbraw/zinc/38/11/17/304381117.db2.gz LGOPCYRFCMYDEM-AAEUAGOBSA-N 1 0 334.376 1.354 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000417180605 304381179 /nfs/dbraw/zinc/38/11/79/304381179.db2.gz GZEMUPMKBDUHPB-LBPRGKRZSA-N 1 0 336.392 1.792 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000246570054 286348238 /nfs/dbraw/zinc/34/82/38/286348238.db2.gz MACLKRRRHSPWRD-MFKMUULPSA-N 1 0 343.405 1.351 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000363849851 153075096 /nfs/dbraw/zinc/07/50/96/153075096.db2.gz CFHMVLVCGHSEKQ-CYBMUJFWSA-N 1 0 349.387 1.587 20 5 EDBDRO COc1ccc(CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000417201629 304384042 /nfs/dbraw/zinc/38/40/42/304384042.db2.gz WSZQKFBISKFLPQ-LBPRGKRZSA-N 1 0 344.318 1.400 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000417202391 304384418 /nfs/dbraw/zinc/38/44/18/304384418.db2.gz XNZLPDNLUAJXGB-OLZOCXBDSA-N 1 0 334.376 1.354 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000367830800 154288879 /nfs/dbraw/zinc/28/88/79/154288879.db2.gz FCYVQJZPNMWBBZ-QWRGUYRKSA-N 1 0 331.369 1.136 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000373173136 156721400 /nfs/dbraw/zinc/72/14/00/156721400.db2.gz MOKSZXCTWLGPOO-JGPRNRPPSA-N 1 0 341.389 1.246 20 5 EDBDRO CC1(C)C[N@@H+](C2(CNC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CCCCC2)CCO1 ZINC000373963238 157085036 /nfs/dbraw/zinc/08/50/36/157085036.db2.gz KNVXNACAULMAQL-KGLIPLIRSA-N 1 0 339.436 1.582 20 5 EDBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000374314261 157238842 /nfs/dbraw/zinc/23/88/42/157238842.db2.gz CGBAUNSZYDLQMD-LSDHHAIUSA-N 1 0 329.360 1.005 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)n1 ZINC000374557096 157328061 /nfs/dbraw/zinc/32/80/61/157328061.db2.gz OVOURQIPSHPUCO-QGZVFWFLSA-N 1 0 330.388 1.817 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCO)CC1CC1 ZINC000352458363 162191791 /nfs/dbraw/zinc/19/17/91/162191791.db2.gz JQJHCDPLFSDZQD-UHFFFAOYSA-N 1 0 337.376 1.636 20 5 EDBDRO CC(C)[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nncn1C ZINC000352467665 162197464 /nfs/dbraw/zinc/19/74/64/162197464.db2.gz MFVLPBGTIOCRMQ-ZFWWWQNUSA-N 1 0 349.391 1.450 20 5 EDBDRO CC(C)[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nncn1C ZINC000352467663 162197926 /nfs/dbraw/zinc/19/79/26/162197926.db2.gz MFVLPBGTIOCRMQ-HIFRSBDPSA-N 1 0 349.391 1.450 20 5 EDBDRO CCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000352501729 162215599 /nfs/dbraw/zinc/21/55/99/162215599.db2.gz WVWNOLWELFEKAQ-GFCCVEGCSA-N 1 0 345.396 1.887 20 5 EDBDRO O=C(NC[C@H]1CCC[NH2+]C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418309653 304478204 /nfs/dbraw/zinc/47/82/04/304478204.db2.gz CVJSLMQOMRYAJO-LBPRGKRZSA-N 1 0 334.376 1.498 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159735895 225269668 /nfs/dbraw/zinc/26/96/68/225269668.db2.gz ORHOKIYHGFZVLS-UHFFFAOYSA-N 1 0 333.388 1.964 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCn2cc([N+](=O)[O-])nc2C)[C@H](C)C1 ZINC000122520325 222104990 /nfs/dbraw/zinc/10/49/90/222104990.db2.gz RQWUPYRQVYZGJY-OCCSQVGLSA-N 1 0 337.424 1.679 20 5 EDBDRO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000123101539 222215479 /nfs/dbraw/zinc/21/54/79/222215479.db2.gz YYEZKFJCPNSGGG-VIFPVBQESA-N 1 0 335.451 1.973 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000123101690 222216358 /nfs/dbraw/zinc/21/63/58/222216358.db2.gz YYEZKFJCPNSGGG-SECBINFHSA-N 1 0 335.451 1.973 20 5 EDBDRO Cc1nn(C)c(C(=O)NCc2ccc(C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000129059647 287468571 /nfs/dbraw/zinc/46/85/71/287468571.db2.gz INJHBGXSGRZRRO-UHFFFAOYSA-N 1 0 331.376 1.628 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000123400308 222271739 /nfs/dbraw/zinc/27/17/39/222271739.db2.gz VFRXMQHFNOJPIF-LLVKDONJSA-N 1 0 327.406 1.435 20 5 EDBDRO O=C(C[C@H]1CC[NH2+]C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000129760130 287481386 /nfs/dbraw/zinc/48/13/86/287481386.db2.gz MIQVHLNKWYWPBU-CYBMUJFWSA-N 1 0 333.388 1.964 20 5 EDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000418461910 304498253 /nfs/dbraw/zinc/49/82/53/304498253.db2.gz KYBJXDPFUUPKOP-DGCLKSJQSA-N 1 0 336.396 1.265 20 5 EDBDRO C[C@@H]1CCCC[N@@H+]1CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273483003 268049162 /nfs/dbraw/zinc/04/91/62/268049162.db2.gz NAWCSXIJLUHSNB-LLVKDONJSA-N 1 0 342.421 1.529 20 5 EDBDRO CN(CC[N@H+](C)C1CC1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000274527017 268157640 /nfs/dbraw/zinc/15/76/40/268157640.db2.gz ANIGZTXQLPLFCJ-UHFFFAOYSA-N 1 0 325.340 1.665 20 5 EDBDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])C1 ZINC000274619188 268170200 /nfs/dbraw/zinc/17/02/00/268170200.db2.gz VUNJDRZZDVZCRO-NSHDSACASA-N 1 0 339.348 1.629 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000276048033 268394354 /nfs/dbraw/zinc/39/43/54/268394354.db2.gz SVVHIKBMWKBVIH-ZDUSSCGKSA-N 1 0 348.403 1.560 20 5 EDBDRO C[N@H+]1CC=C(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000273933126 273059927 /nfs/dbraw/zinc/05/99/27/273059927.db2.gz KUQICVMQYPMMJE-UHFFFAOYSA-N 1 0 339.417 1.319 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000277084949 273179713 /nfs/dbraw/zinc/17/97/13/273179713.db2.gz KYHCUKSFILRUMU-OCCSQVGLSA-N 1 0 339.417 1.721 20 5 EDBDRO Cn1cc([C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@H]2CO)cn1 ZINC000277622754 273212762 /nfs/dbraw/zinc/21/27/62/273212762.db2.gz ANRRXXYCTSZMPV-YOEHRIQHSA-N 1 0 346.387 1.415 20 5 EDBDRO COC(=O)C(C)(C)CC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000285400370 274529524 /nfs/dbraw/zinc/52/95/24/274529524.db2.gz FCBYDRROLCLKNI-UHFFFAOYSA-N 1 0 326.349 1.988 20 5 EDBDRO [NH3+]CC1(O)CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000420265086 274944894 /nfs/dbraw/zinc/94/48/94/274944894.db2.gz BBTJFQYNEQRADR-UHFFFAOYSA-N 1 0 328.372 1.947 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000360913352 276709388 /nfs/dbraw/zinc/70/93/88/276709388.db2.gz JJDYOVSZHWIBLL-CQSZACIVSA-N 1 0 336.440 1.336 20 5 EDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)C1 ZINC000375519698 277074265 /nfs/dbraw/zinc/07/42/65/277074265.db2.gz KUHYWOVXEBYKAH-AWEZNQCLSA-N 1 0 345.447 1.779 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000122456130 277084183 /nfs/dbraw/zinc/08/41/83/277084183.db2.gz RVDHGVRFGAHMAT-STQMWFEESA-N 1 0 339.417 1.700 20 5 EDBDRO C[N@@H+]1CCO[C@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000131500132 277132058 /nfs/dbraw/zinc/13/20/58/277132058.db2.gz UOSZGPDEOVVWIR-QWRGUYRKSA-N 1 0 343.181 1.272 20 5 EDBDRO CS[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000271182573 278148790 /nfs/dbraw/zinc/14/87/90/278148790.db2.gz UTFXYPAJVWBZJP-TZMCWYRMSA-N 1 0 339.417 1.478 20 5 EDBDRO C[C@](C[NH3+])(NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000237622558 280139921 /nfs/dbraw/zinc/13/99/21/280139921.db2.gz PUIYUCQTOBADHU-MRXNPFEDSA-N 1 0 329.360 1.638 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000374086087 280395563 /nfs/dbraw/zinc/39/55/63/280395563.db2.gz YGCINBNWVQXTGC-CHWSQXEVSA-N 1 0 339.417 1.584 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000262206665 281010945 /nfs/dbraw/zinc/01/09/45/281010945.db2.gz LBJFUECSWUDSTD-UONOGXRCSA-N 1 0 347.419 1.383 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000262206667 281011674 /nfs/dbraw/zinc/01/16/74/281011674.db2.gz LBJFUECSWUDSTD-ZIAGYGMSSA-N 1 0 347.419 1.383 20 5 EDBDRO CC[NH+](CC)CC(=O)N1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000287790131 288324279 /nfs/dbraw/zinc/32/42/79/288324279.db2.gz IUVACCLNRNFVDM-UHFFFAOYSA-N 1 0 338.383 1.724 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000290222246 288861071 /nfs/dbraw/zinc/86/10/71/288861071.db2.gz XGVDYEYUMVTMON-LBPRGKRZSA-N 1 0 342.417 1.908 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000292631173 289399554 /nfs/dbraw/zinc/39/95/54/289399554.db2.gz YYKHZWVULXEOGG-XHDPSFHLSA-N 1 0 347.371 1.596 20 5 EDBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)O)c([N+](=O)[O-])c1 ZINC000177727396 295159922 /nfs/dbraw/zinc/15/99/22/295159922.db2.gz LPCAQQOZNZERKM-SNVBAGLBSA-N 1 0 325.365 1.633 20 5 EDBDRO CS(=O)(=O)c1ccc(N[C@@H]2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000262055808 295557628 /nfs/dbraw/zinc/55/76/28/295557628.db2.gz DKMUDJNVLZUQJF-ZYHUDNBSSA-N 1 0 327.406 1.928 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000262748823 300324445 /nfs/dbraw/zinc/32/44/45/300324445.db2.gz FPEJTCGBQJYHEG-WPRPVWTQSA-N 1 0 333.797 1.525 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000420460511 301199267 /nfs/dbraw/zinc/19/92/67/301199267.db2.gz SLQFSMZDUSXEFE-NWDGAFQWSA-N 1 0 327.406 1.617 20 5 EDBDRO C[C@@H]1CN(c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)C[C@@H]1[NH3+] ZINC000420276326 304742152 /nfs/dbraw/zinc/74/21/52/304742152.db2.gz LYKPAMJLNWVVMN-SKDRFNHKSA-N 1 0 349.778 1.578 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000154392786 302045893 /nfs/dbraw/zinc/04/58/93/302045893.db2.gz ORCONXIMYBCMGQ-AWEZNQCLSA-N 1 0 325.390 1.277 20 5 EDBDRO C[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293675855 303001885 /nfs/dbraw/zinc/00/18/85/303001885.db2.gz KBCQWQKTQYGMEN-ZYHUDNBSSA-N 1 0 342.421 1.252 20 5 EDBDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000293699434 303005859 /nfs/dbraw/zinc/00/58/59/303005859.db2.gz OVFODMOMJZTSPL-BXUZGUMPSA-N 1 0 346.387 1.603 20 5 EDBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[NH+](C[C@@H](C)O)CC1 ZINC000295139399 303177838 /nfs/dbraw/zinc/17/78/38/303177838.db2.gz ZFSFEEABZVSTGZ-GFCCVEGCSA-N 1 0 346.387 1.654 20 5 EDBDRO C[C@@H]([N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)(C)O ZINC000295167315 303182806 /nfs/dbraw/zinc/18/28/06/303182806.db2.gz NYXJLAGOMQOUPQ-SECBINFHSA-N 1 0 339.348 1.353 20 5 EDBDRO C[NH+](C)C[C@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000295397590 303214004 /nfs/dbraw/zinc/21/40/04/303214004.db2.gz ZAZDAIGTZYIHSV-HNNXBMFYSA-N 1 0 349.387 1.347 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000296347858 303312206 /nfs/dbraw/zinc/31/22/06/303312206.db2.gz RNQXTRFFANWMPN-XBVQOTNRSA-N 1 0 348.399 1.882 20 5 EDBDRO C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)O1 ZINC000296383548 303314514 /nfs/dbraw/zinc/31/45/14/303314514.db2.gz KQBRZYPMTSGEOL-GYSYKLTISA-N 1 0 343.405 1.029 20 5 EDBDRO O=C(NCC1CC[NH2+]CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000297193314 303370783 /nfs/dbraw/zinc/37/07/83/303370783.db2.gz LZQPKLCBIKVUGJ-UHFFFAOYSA-N 1 0 329.360 1.510 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423226747 304889862 /nfs/dbraw/zinc/88/98/62/304889862.db2.gz SBPNYHIDWPRBNC-OAHLLOKOSA-N 1 0 343.387 1.688 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cc1SC ZINC000423664592 304903591 /nfs/dbraw/zinc/90/35/91/304903591.db2.gz IQMHJVVKLRHSSC-WCBMZHEXSA-N 1 0 325.390 1.887 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@H]4[NH2+]CC[C@@H]4C3)n2)c1 ZINC000428037013 305004927 /nfs/dbraw/zinc/00/49/27/305004927.db2.gz SJRGJUXIGCQNDG-TZMCWYRMSA-N 1 0 329.360 1.829 20 5 EDBDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000428820979 305018489 /nfs/dbraw/zinc/01/84/89/305018489.db2.gz UGZTZXOPUWXTES-QGZVFWFLSA-N 1 0 344.371 1.608 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2Cc3cccc(O)c3C2)c1 ZINC000429238166 305026361 /nfs/dbraw/zinc/02/63/61/305026361.db2.gz QWHXIPVQRKAVBG-ZFWWWQNUSA-N 1 0 344.367 1.797 20 5 EDBDRO C[C@@H]1CC[C@H]([N@H+](CCO)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000429785003 305037106 /nfs/dbraw/zinc/03/71/06/305037106.db2.gz KDTMEASQNLJFTE-IJEWVQPXSA-N 1 0 338.404 1.817 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430943954 305069779 /nfs/dbraw/zinc/06/97/79/305069779.db2.gz REAVRCHAFIIRSG-NTZNESFSSA-N 1 0 336.392 1.600 20 5 EDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000434710975 305129080 /nfs/dbraw/zinc/12/90/80/305129080.db2.gz ZWIYTUFFKVBINN-WDEREUQCSA-N 1 0 335.360 1.117 20 5 EDBDRO CN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CCC[NH2+]CC1 ZINC000435752307 305147050 /nfs/dbraw/zinc/14/70/50/305147050.db2.gz JUZNFKKSJIRURE-CYBMUJFWSA-N 1 0 349.387 1.509 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000440418171 305206310 /nfs/dbraw/zinc/20/63/10/305206310.db2.gz RWIUKUZRUBCQAJ-SCZZXKLOSA-N 1 0 333.797 1.606 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000440437718 305206706 /nfs/dbraw/zinc/20/67/06/305206706.db2.gz BGFAGIRJSAUONL-LBPRGKRZSA-N 1 0 325.390 1.418 20 5 EDBDRO Cc1cc(C(=O)N2CCC([N@@H+](C)C[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000444359726 305246964 /nfs/dbraw/zinc/24/69/64/305246964.db2.gz WTXABAVXPCXDGZ-ZDUSSCGKSA-N 1 0 335.404 1.820 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)n1 ZINC000447732335 305284625 /nfs/dbraw/zinc/28/46/25/305284625.db2.gz VTILDVCBQMSUHV-LBPRGKRZSA-N 1 0 345.359 1.966 20 5 EDBDRO CN(CC[N@H+](C)C1CC1)c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447808422 305286079 /nfs/dbraw/zinc/28/60/79/305286079.db2.gz VAPFSRWDXVYMHT-UHFFFAOYSA-N 1 0 348.447 1.957 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](CO)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000447901350 305288208 /nfs/dbraw/zinc/28/82/08/305288208.db2.gz BUGZKCGRZYQUIK-LNSITVRQSA-N 1 0 337.376 1.360 20 5 EDBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448798432 305301936 /nfs/dbraw/zinc/30/19/36/305301936.db2.gz VOBQJZHLUSNQOX-LBPRGKRZSA-N 1 0 341.371 1.951 20 5 EDBDRO CN(CC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448902972 305303455 /nfs/dbraw/zinc/30/34/55/305303455.db2.gz DWJKFKJXWMHNNL-UHFFFAOYSA-N 1 0 343.387 1.948 20 5 EDBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000449656680 305316576 /nfs/dbraw/zinc/31/65/76/305316576.db2.gz LWZVYYWSYJZORA-ZDUSSCGKSA-N 1 0 340.330 1.896 20 5 EDBDRO CN1CC[NH2+]C[C@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000449693755 305317010 /nfs/dbraw/zinc/31/70/10/305317010.db2.gz FQFKYLVNGOBIQX-JTQLQIEISA-N 1 0 346.309 1.247 20 5 EDBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(C)(C)CO ZINC000451247334 305335109 /nfs/dbraw/zinc/33/51/09/305335109.db2.gz BRQVWLCPUSKGHK-UHFFFAOYSA-N 1 0 337.376 1.843 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000451293738 305336860 /nfs/dbraw/zinc/33/68/60/305336860.db2.gz BLFQURLQBUCQFI-MAZHCROVSA-N 1 0 336.388 1.965 20 5 EDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452368223 305393691 /nfs/dbraw/zinc/39/36/91/305393691.db2.gz QNTUCWZJZJSAMS-INIZCTEOSA-N 1 0 335.404 1.490 20 5 EDBDRO COC(=O)CC1([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000533527031 306000325 /nfs/dbraw/zinc/00/03/25/306000325.db2.gz LHMASFXDCIRMMB-ZDUSSCGKSA-N 1 0 340.380 1.008 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000536985110 306025573 /nfs/dbraw/zinc/02/55/73/306025573.db2.gz KEFGHWDKDFFDCY-NSHDSACASA-N 1 0 342.421 1.386 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@H](C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000548697987 306135735 /nfs/dbraw/zinc/13/57/35/306135735.db2.gz ZXSGHTGHCSAQSR-LBPRGKRZSA-N 1 0 327.406 1.666 20 5 EDBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000456360435 447374602 /nfs/dbraw/zinc/37/46/02/447374602.db2.gz VCLRVFAAMAELNJ-AWEZNQCLSA-N 1 0 337.424 1.741 20 5 EDBDRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000415393428 447414359 /nfs/dbraw/zinc/41/43/59/447414359.db2.gz KYRNZMJLCVREOZ-UHFFFAOYSA-N 1 0 338.339 1.130 20 5 EDBDRO O=C(NCC[NH+]1CCCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000044529689 440852770 /nfs/dbraw/zinc/85/27/70/440852770.db2.gz JFFNPTKQMBMYDG-UHFFFAOYSA-N 1 0 343.387 1.996 20 5 EDBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000057554185 441121921 /nfs/dbraw/zinc/12/19/21/441121921.db2.gz YVXKCEUNFQZPRZ-LBPRGKRZSA-N 1 0 341.371 1.747 20 5 EDBDRO COc1cc(OCC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000057554626 441122190 /nfs/dbraw/zinc/12/21/90/441122190.db2.gz CTIBUZDDPBOLGG-LLVKDONJSA-N 1 0 335.360 1.335 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000104748813 441203985 /nfs/dbraw/zinc/20/39/85/441203985.db2.gz HLEZBDBXIPEKER-GFCCVEGCSA-N 1 0 327.406 1.475 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000080969889 441214809 /nfs/dbraw/zinc/21/48/09/441214809.db2.gz YMSPDKYUHMSFIR-ZDUSSCGKSA-N 1 0 329.360 1.796 20 5 EDBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000058883670 441217422 /nfs/dbraw/zinc/21/74/22/441217422.db2.gz GVCRIPYOXMYDFC-XQQFMLRXSA-N 1 0 336.396 1.050 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])NCCCC[NH+]1CCOCC1 ZINC000048285528 441285981 /nfs/dbraw/zinc/28/59/81/441285981.db2.gz AWZJKTIVJULESA-UHFFFAOYSA-N 1 0 337.376 1.202 20 5 EDBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000073052137 441289199 /nfs/dbraw/zinc/28/91/99/441289199.db2.gz QUWKOVIGJYKSDV-LBPRGKRZSA-N 1 0 347.371 1.261 20 5 EDBDRO CCCN(C)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000063737516 441347747 /nfs/dbraw/zinc/34/77/47/441347747.db2.gz CUSKNCPNUFWLIL-UHFFFAOYSA-N 1 0 344.437 1.281 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000083979015 441379655 /nfs/dbraw/zinc/37/96/55/441379655.db2.gz IRQUXDFVIMQGJB-UHFFFAOYSA-N 1 0 347.824 1.929 20 5 EDBDRO COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000026711994 441382958 /nfs/dbraw/zinc/38/29/58/441382958.db2.gz XLANLLWVGSSNNL-CQSZACIVSA-N 1 0 338.360 1.220 20 5 EDBDRO C[NH+](C)CC1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000052404132 441449394 /nfs/dbraw/zinc/44/93/94/441449394.db2.gz BJACHRWINUOFQV-UHFFFAOYSA-N 1 0 342.421 1.020 20 5 EDBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1 ZINC000109276428 441493635 /nfs/dbraw/zinc/49/36/35/441493635.db2.gz MKBDIFQCTSEJCR-LBPRGKRZSA-N 1 0 346.391 1.432 20 5 EDBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066604283 441550777 /nfs/dbraw/zinc/55/07/77/441550777.db2.gz CYUODJNHQNGDOP-UHFFFAOYSA-N 1 0 347.371 1.723 20 5 EDBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000054223734 441564441 /nfs/dbraw/zinc/56/44/41/441564441.db2.gz ZICWUAXBUOCQBB-ZFWWWQNUSA-N 1 0 343.387 1.743 20 5 EDBDRO COCCC[N@H+](CCOC)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000054365507 441574672 /nfs/dbraw/zinc/57/46/72/441574672.db2.gz KIYCCWKWJKMPKD-OAHLLOKOSA-N 1 0 342.392 1.319 20 5 EDBDRO CC1CC[NH+](C[C@H]2CCCN(c3ncc([N+](=O)[O-])c(N)n3)C2)CC1 ZINC000076269515 441619943 /nfs/dbraw/zinc/61/99/43/441619943.db2.gz WYHNULXGTWGRDM-CYBMUJFWSA-N 1 0 334.424 1.915 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC(=O)NC1CC1 ZINC000041894386 441681878 /nfs/dbraw/zinc/68/18/78/441681878.db2.gz HTLWPAKTZYJEOH-UHFFFAOYSA-N 1 0 334.376 1.442 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000042055951 441700215 /nfs/dbraw/zinc/70/02/15/441700215.db2.gz MIAFRRHWYLQUGA-DZGCQCFKSA-N 1 0 346.387 1.585 20 5 EDBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000068776116 441850148 /nfs/dbraw/zinc/85/01/48/441850148.db2.gz FWZYQQXVJQCENM-UHFFFAOYSA-N 1 0 349.387 1.922 20 5 EDBDRO CCc1nn(C)c(N2CCN(c3cc(OC)cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000094155827 441908428 /nfs/dbraw/zinc/90/84/28/441908428.db2.gz ZMMWMOFSUGIKSP-UHFFFAOYSA-N 1 0 346.391 1.621 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000160492945 441888427 /nfs/dbraw/zinc/88/84/27/441888427.db2.gz XUBXQWYVEHXDLV-NSHDSACASA-N 1 0 349.416 1.957 20 5 EDBDRO C[C@@H]1C[NH2+]CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000125188115 441993905 /nfs/dbraw/zinc/99/39/05/441993905.db2.gz HVWMVELKNZHSDT-SNVBAGLBSA-N 1 0 327.768 1.837 20 5 EDBDRO CCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000161589104 442013541 /nfs/dbraw/zinc/01/35/41/442013541.db2.gz SOBWZDWNANFWMD-CQSZACIVSA-N 1 0 334.376 1.007 20 5 EDBDRO Cc1c(CC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000125723275 442043019 /nfs/dbraw/zinc/04/30/19/442043019.db2.gz IXDKPZHOSHILGH-QWHCGFSZSA-N 1 0 335.404 1.359 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC(F)F ZINC000126559854 442122244 /nfs/dbraw/zinc/12/22/44/442122244.db2.gz WYWHGAGXMQSZIW-SSDOTTSWSA-N 1 0 331.275 1.297 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000163192768 442150030 /nfs/dbraw/zinc/15/00/30/442150030.db2.gz XKINWFQQCXIEIG-UHFFFAOYSA-N 1 0 334.376 1.396 20 5 EDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000163154768 442147163 /nfs/dbraw/zinc/14/71/63/442147163.db2.gz GSWOKHKOJJAXEG-RNCFNFMXSA-N 1 0 325.390 1.505 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[NH+]1CCCCC1 ZINC000120894671 442148207 /nfs/dbraw/zinc/14/82/07/442148207.db2.gz YBKZZGNEYXJQKG-UHFFFAOYSA-N 1 0 348.403 1.752 20 5 EDBDRO C[NH2+]CCCN(C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000127101256 442171054 /nfs/dbraw/zinc/17/10/54/442171054.db2.gz YVWDSJICPVUOPL-UHFFFAOYSA-N 1 0 335.813 1.787 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000164712255 442200966 /nfs/dbraw/zinc/20/09/66/442200966.db2.gz JPNHVYRPVFUVCY-UHFFFAOYSA-N 1 0 331.376 1.532 20 5 EDBDRO CNC(=O)[C@@H](C)C[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000176379701 442216692 /nfs/dbraw/zinc/21/66/92/442216692.db2.gz LBLSZLAOYHNYHJ-NSHDSACASA-N 1 0 336.392 1.546 20 5 EDBDRO C[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000176495968 442228587 /nfs/dbraw/zinc/22/85/87/442228587.db2.gz OACSLVZGUKFWES-LLVKDONJSA-N 1 0 340.811 1.614 20 5 EDBDRO CCOc1ccc(C(=O)NC[C@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000152642228 442233941 /nfs/dbraw/zinc/23/39/41/442233941.db2.gz QOEVZVWMMHERNK-HNNXBMFYSA-N 1 0 325.365 1.036 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000153381466 442279268 /nfs/dbraw/zinc/27/92/68/442279268.db2.gz TYDUZLOUSINWRB-TXEJJXNPSA-N 1 0 343.387 1.818 20 5 EDBDRO COC[C@](C)(CCO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000177405808 442337774 /nfs/dbraw/zinc/33/77/74/442337774.db2.gz BOVNIWYQLUDQIO-INIZCTEOSA-N 1 0 339.392 1.609 20 5 EDBDRO CCC[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000155115652 442376814 /nfs/dbraw/zinc/37/68/14/442376814.db2.gz KLYCQTTYXZWESA-UHFFFAOYSA-N 1 0 348.403 1.786 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000132313718 442390828 /nfs/dbraw/zinc/39/08/28/442390828.db2.gz SSLAQRYOXLOICX-UHFFFAOYSA-N 1 0 345.403 1.868 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000156342538 442469810 /nfs/dbraw/zinc/46/98/10/442469810.db2.gz ZQUYKKZQKXHQEF-CYBMUJFWSA-N 1 0 325.365 1.539 20 5 EDBDRO Cc1c(CC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000178748468 442473141 /nfs/dbraw/zinc/47/31/41/442473141.db2.gz WWBXTOYYEJKXCL-OAHLLOKOSA-N 1 0 347.415 1.626 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000191605487 442475341 /nfs/dbraw/zinc/47/53/41/442475341.db2.gz CPECBOHJNZPQRU-ZDUSSCGKSA-N 1 0 335.408 1.902 20 5 EDBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000179857837 442512913 /nfs/dbraw/zinc/51/29/13/442512913.db2.gz OUVGHTGEGSYGQJ-LBPRGKRZSA-N 1 0 333.388 1.889 20 5 EDBDRO COc1cc(OCC(=O)N[C@](C)(C[NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000158167748 442651896 /nfs/dbraw/zinc/65/18/96/442651896.db2.gz PFPSSBFQELZVRG-OAHLLOKOSA-N 1 0 325.365 1.472 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000173244360 442631805 /nfs/dbraw/zinc/63/18/05/442631805.db2.gz KYZSLXUYQUAWLZ-AAEUAGOBSA-N 1 0 341.433 1.864 20 5 EDBDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000173264786 442634688 /nfs/dbraw/zinc/63/46/88/442634688.db2.gz KBYDANDSYKOJRK-DGCLKSJQSA-N 1 0 327.406 1.698 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000193271480 442728280 /nfs/dbraw/zinc/72/82/80/442728280.db2.gz XMCGKJJISJCQRB-CYBMUJFWSA-N 1 0 341.433 1.880 20 5 EDBDRO CC1(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000193373682 442737167 /nfs/dbraw/zinc/73/71/67/442737167.db2.gz FKKZLYXZYYFOLN-UHFFFAOYSA-N 1 0 347.824 1.916 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CO)C(C)(C)C ZINC000193097959 442713032 /nfs/dbraw/zinc/71/30/32/442713032.db2.gz FMRGFELHGNLBSC-CYBMUJFWSA-N 1 0 325.365 1.539 20 5 EDBDRO CCOC(=O)c1ccnc(NCC[N@H+](C)CCOC)c1[N+](=O)[O-] ZINC000265605405 442843301 /nfs/dbraw/zinc/84/33/01/442843301.db2.gz TUNIJWFTPUWCKV-UHFFFAOYSA-N 1 0 326.353 1.157 20 5 EDBDRO Cc1nn(C)c(C(=O)NCC[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000194147926 442852722 /nfs/dbraw/zinc/85/27/22/442852722.db2.gz OIAVRXWYFOTRLE-UHFFFAOYSA-N 1 0 331.376 1.499 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000268124153 442857284 /nfs/dbraw/zinc/85/72/84/442857284.db2.gz AKFTUQDKYVLLLO-BXUZGUMPSA-N 1 0 334.376 1.250 20 5 EDBDRO CC1(C2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)OCCO1 ZINC000268154517 442874500 /nfs/dbraw/zinc/87/45/00/442874500.db2.gz RVEBPFODLIQXPZ-UHFFFAOYSA-N 1 0 349.387 1.669 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000268168309 442880980 /nfs/dbraw/zinc/88/09/80/442880980.db2.gz ZFVSWHTVVIJCCO-ABAIWWIYSA-N 1 0 348.403 1.885 20 5 EDBDRO CCOC(=O)c1cc(NC[C@@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000268178387 442886262 /nfs/dbraw/zinc/88/62/62/442886262.db2.gz KMCGEBBQDMGEKR-CYBMUJFWSA-N 1 0 336.392 1.429 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000268193905 442894071 /nfs/dbraw/zinc/89/40/71/442894071.db2.gz WYHCUOQKUCYXPX-SMDDNHRTSA-N 1 0 339.417 1.664 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000183218869 442906320 /nfs/dbraw/zinc/90/63/20/442906320.db2.gz IJILCVFSQHTLIS-NWDGAFQWSA-N 1 0 337.376 1.635 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000265972277 442989496 /nfs/dbraw/zinc/98/94/96/442989496.db2.gz BWMYVLXNZWQUNM-JTQLQIEISA-N 1 0 331.394 1.222 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CC(C)(C)O)C1CC1 ZINC000189994602 443044516 /nfs/dbraw/zinc/04/45/16/443044516.db2.gz XDZPVCXLNSNABB-UHFFFAOYSA-N 1 0 337.376 1.777 20 5 EDBDRO CC1CCC([NH+]2CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)CC2)CC1 ZINC000184623707 443050529 /nfs/dbraw/zinc/05/05/29/443050529.db2.gz JGHCKBXQCXPTEY-UHFFFAOYSA-N 1 0 347.419 1.909 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000266216915 443061812 /nfs/dbraw/zinc/06/18/12/443061812.db2.gz KXBGKKPHIVGZTP-RYUDHWBXSA-N 1 0 346.387 1.603 20 5 EDBDRO COc1cc(CN2CC[N@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000190250013 443077076 /nfs/dbraw/zinc/07/70/76/443077076.db2.gz DFIFFWNHVFSRFM-LBPRGKRZSA-N 1 0 339.392 1.110 20 5 EDBDRO COc1cc(C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000184955846 443106034 /nfs/dbraw/zinc/10/60/34/443106034.db2.gz FKSTVVBGUPXGRH-YUSALJHKSA-N 1 0 335.360 1.421 20 5 EDBDRO CC[C@@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000268844416 443124673 /nfs/dbraw/zinc/12/46/73/443124673.db2.gz BIICNXCEVQZITO-HZPDHXFCSA-N 1 0 334.420 1.975 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000262473327 443196357 /nfs/dbraw/zinc/19/63/57/443196357.db2.gz JLGXATKNJZQDLE-ZJUUUORDSA-N 1 0 329.378 1.022 20 5 EDBDRO CO[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)[C@H](C[NH3+])C1 ZINC000261834983 443171473 /nfs/dbraw/zinc/17/14/73/443171473.db2.gz IIMSHEQLVIHFFM-RYUDHWBXSA-N 1 0 343.405 1.030 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1C ZINC000262066714 443182564 /nfs/dbraw/zinc/18/25/64/443182564.db2.gz FOTVFSUSVOVXBU-MFKMUULPSA-N 1 0 327.406 1.569 20 5 EDBDRO O=C(C[C@H]1CCC[NH2+]C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000324924243 318944369 /nfs/dbraw/zinc/94/43/69/318944369.db2.gz SMFXLQWEDHCRRA-CQSZACIVSA-N 1 0 332.404 1.633 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCN(C)C(=O)C1 ZINC000191073034 443234995 /nfs/dbraw/zinc/23/49/95/443234995.db2.gz GGIBBHHYCMWKDA-UHFFFAOYSA-N 1 0 334.376 1.396 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000262739359 443209355 /nfs/dbraw/zinc/20/93/55/443209355.db2.gz IBCFAHFHVLEEIP-SECBINFHSA-N 1 0 333.797 1.526 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000397425179 319134854 /nfs/dbraw/zinc/13/48/54/319134854.db2.gz XCHJRMYEMBEZDS-AVGNSLFASA-N 1 0 341.433 1.897 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000397425198 319134971 /nfs/dbraw/zinc/13/49/71/319134971.db2.gz XCHJRMYEMBEZDS-XQQFMLRXSA-N 1 0 341.433 1.897 20 5 EDBDRO Cc1c(NC(=O)C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000415809799 319371842 /nfs/dbraw/zinc/37/18/42/319371842.db2.gz NLRKJPNRNMIBAX-NEPJUHHUSA-N 1 0 334.376 1.475 20 5 EDBDRO C[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000266869028 443273377 /nfs/dbraw/zinc/27/33/77/443273377.db2.gz MNLJDPMPQKBGCJ-AAEUAGOBSA-N 1 0 327.406 1.669 20 5 EDBDRO O=[N+]([O-])c1cnn(CCN2CC[NH+](CCc3cccs3)CC2)c1 ZINC000266922196 443291587 /nfs/dbraw/zinc/29/15/87/443291587.db2.gz PNGKUJPTDJTTMS-UHFFFAOYSA-N 1 0 335.433 1.713 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000245990250 443261333 /nfs/dbraw/zinc/26/13/33/443261333.db2.gz WTGUKESJWIFHEI-JSGCOSHPSA-N 1 0 326.422 1.778 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000246059316 443264065 /nfs/dbraw/zinc/26/40/65/443264065.db2.gz YFTYEFCEUWJUHM-JSGCOSHPSA-N 1 0 329.360 1.504 20 5 EDBDRO CN(CC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000272455926 443324432 /nfs/dbraw/zinc/32/44/32/443324432.db2.gz JYZUUOHOSVREAR-BBRMVZONSA-N 1 0 332.404 1.584 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264600935 443341832 /nfs/dbraw/zinc/34/18/32/443341832.db2.gz XQWUIQOEBUSTNT-AWEZNQCLSA-N 1 0 335.408 1.577 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC2(C)CC[NH2+]CC2)c1 ZINC000420438918 319619702 /nfs/dbraw/zinc/61/97/02/319619702.db2.gz RVSCNUNWIQHYLA-UHFFFAOYSA-N 1 0 341.433 1.880 20 5 EDBDRO C[NH+](C)C1CCC(Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000420625741 319630891 /nfs/dbraw/zinc/63/08/91/319630891.db2.gz LHNXQMOWOZUEDQ-UHFFFAOYSA-N 1 0 342.421 1.527 20 5 EDBDRO CS[C@H]1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270967755 443485613 /nfs/dbraw/zinc/48/56/13/443485613.db2.gz BHHWYQCXLHXHTK-ZJUUUORDSA-N 1 0 341.437 1.559 20 5 EDBDRO O=C(NC[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1Br ZINC000272978154 443508810 /nfs/dbraw/zinc/50/88/10/443508810.db2.gz CMXUSSAHEYLNEL-QMMMGPOBSA-N 1 0 328.166 1.697 20 5 EDBDRO CC(C)[C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@@H](C)[NH3+] ZINC000423423483 319774058 /nfs/dbraw/zinc/77/40/58/319774058.db2.gz ZVWDMVKXTCVENM-XUJVJEKNSA-N 1 0 335.408 1.622 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272263847 443572742 /nfs/dbraw/zinc/57/27/42/443572742.db2.gz BKPNHJKMZIWCLO-OCCSQVGLSA-N 1 0 339.417 1.618 20 5 EDBDRO C[NH+](C)C[C@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCO1 ZINC000265403086 443630261 /nfs/dbraw/zinc/63/02/61/443630261.db2.gz XZSALEJDHGWKSP-LBPRGKRZSA-N 1 0 332.360 1.479 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](O)C[NH+]2CCCCC2)n1 ZINC000283506845 443649601 /nfs/dbraw/zinc/64/96/01/443649601.db2.gz JBZCMEFKDGGDRK-NSHDSACASA-N 1 0 338.364 1.035 20 5 EDBDRO COC(=O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000441098262 320088743 /nfs/dbraw/zinc/08/87/43/320088743.db2.gz BJKZFSGJUUHYGV-CQSZACIVSA-N 1 0 335.360 1.951 20 5 EDBDRO [NH3+]CC[C@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)F ZINC000449622485 320195322 /nfs/dbraw/zinc/19/53/22/320195322.db2.gz KAOZJTMMYUFREU-VIFPVBQESA-N 1 0 345.302 1.007 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000449728891 320202581 /nfs/dbraw/zinc/20/25/81/320202581.db2.gz XTZXWTOVVQDTBS-UTUOFQBUSA-N 1 0 338.412 1.071 20 5 EDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000449749745 320204820 /nfs/dbraw/zinc/20/48/20/320204820.db2.gz GXHJMJMDWJGMLE-CYBMUJFWSA-N 1 0 330.348 1.046 20 5 EDBDRO O=C1[C@@H]([N@@H+]2CC[C@H](CCCO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000452115747 320242605 /nfs/dbraw/zinc/24/26/05/320242605.db2.gz FWBLTKIZFWDTON-BBRMVZONSA-N 1 0 333.388 1.795 20 5 EDBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000452390053 320248984 /nfs/dbraw/zinc/24/89/84/320248984.db2.gz NMCIKVVNWVLNRD-CQSZACIVSA-N 1 0 347.371 1.918 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000453918188 320271596 /nfs/dbraw/zinc/27/15/96/320271596.db2.gz NNJUQQPZAJSQEU-SWLSCSKDSA-N 1 0 346.387 1.258 20 5 EDBDRO CCN(CCC[NH+](CC)CC)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000276413135 443699111 /nfs/dbraw/zinc/69/91/11/443699111.db2.gz IHXVOTBBGBQBAN-UHFFFAOYSA-N 1 0 325.413 1.762 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000518361321 320455788 /nfs/dbraw/zinc/45/57/88/320455788.db2.gz WULHDDMVHOIUIF-MFKMUULPSA-N 1 0 335.360 1.708 20 5 EDBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1cccs1 ZINC000298334889 443748448 /nfs/dbraw/zinc/74/84/48/443748448.db2.gz XWQROKITFDVOMI-NSHDSACASA-N 1 0 335.389 1.865 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000298622793 443820368 /nfs/dbraw/zinc/82/03/68/443820368.db2.gz ZINWLBAJAMLWKV-KGLIPLIRSA-N 1 0 346.387 1.585 20 5 EDBDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000281290469 443870976 /nfs/dbraw/zinc/87/09/76/443870976.db2.gz YCFORSRHKWQUIK-CQSZACIVSA-N 1 0 341.433 1.841 20 5 EDBDRO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285154471 443876083 /nfs/dbraw/zinc/87/60/83/443876083.db2.gz MJQONQCNJNOHFJ-WDEREUQCSA-N 1 0 342.421 1.109 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000281591144 443952934 /nfs/dbraw/zinc/95/29/34/443952934.db2.gz FBAGSDVZBQHWPU-KRWDZBQOSA-N 1 0 345.355 1.016 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000277231531 443944239 /nfs/dbraw/zinc/94/42/39/443944239.db2.gz SVQZKOXERRCEPG-LLVKDONJSA-N 1 0 342.421 1.163 20 5 EDBDRO COC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000542524423 320782234 /nfs/dbraw/zinc/78/22/34/320782234.db2.gz BBNDHHQACKAIEX-ZDUSSCGKSA-N 1 0 325.365 1.803 20 5 EDBDRO C[C@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C[NH+](C)C ZINC000293117938 443928880 /nfs/dbraw/zinc/92/88/80/443928880.db2.gz HOUKJWLKFYSPAD-SECBINFHSA-N 1 0 342.783 1.501 20 5 EDBDRO CCC[C@@]1(CO)CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000288794903 443985123 /nfs/dbraw/zinc/98/51/23/443985123.db2.gz LMMSVSUVWVPSAI-DOTOQJQBSA-N 1 0 338.404 1.819 20 5 EDBDRO Cc1sc(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000281737976 443992838 /nfs/dbraw/zinc/99/28/38/443992838.db2.gz JTZPJRNUYXIUAM-UHFFFAOYSA-N 1 0 340.449 1.721 20 5 EDBDRO CN(CCC[NH+]1CCCC1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000281744585 443995005 /nfs/dbraw/zinc/99/50/05/443995005.db2.gz OXZVYBGBBKVXHT-UHFFFAOYSA-N 1 0 334.420 1.975 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[NH+](C(C)C)C(C)C ZINC000299260120 443999622 /nfs/dbraw/zinc/99/96/22/443999622.db2.gz FRRFHOBYXDPIRR-UHFFFAOYSA-N 1 0 325.413 1.725 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000299395403 444036694 /nfs/dbraw/zinc/03/66/94/444036694.db2.gz ULJGMLRBQIHUKS-OCCSQVGLSA-N 1 0 348.403 1.687 20 5 EDBDRO Cc1cccc(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1[N+](=O)[O-] ZINC000564955032 321160036 /nfs/dbraw/zinc/16/00/36/321160036.db2.gz SXGDTFNRHWNHLY-CYBMUJFWSA-N 1 0 333.388 1.731 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000567970187 321269887 /nfs/dbraw/zinc/26/98/87/321269887.db2.gz JTWTZOMROLLBRG-UHFFFAOYSA-N 1 0 341.389 1.009 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000569194911 321321352 /nfs/dbraw/zinc/32/13/52/321321352.db2.gz CNQYBAPUBDWIFN-MNOVXSKESA-N 1 0 333.344 1.048 20 5 EDBDRO O=C(CC[NH2+][C@@H]1CCN(CC(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000571516140 321390099 /nfs/dbraw/zinc/39/00/99/321390099.db2.gz ICDXBHLRCPIRDQ-LLVKDONJSA-N 1 0 342.346 1.852 20 5 EDBDRO Cn1cc([C@H](CNc2ccc([N+](=O)[O-])cc2C(N)=O)[NH+](C)C)cn1 ZINC000301303140 444162571 /nfs/dbraw/zinc/16/25/71/444162571.db2.gz WKFSVTUXUZDLOD-AWEZNQCLSA-N 1 0 332.364 1.142 20 5 EDBDRO COCCOCc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000289818332 444207128 /nfs/dbraw/zinc/20/71/28/444207128.db2.gz SNTOQXURABVQPE-UHFFFAOYSA-N 1 0 334.376 1.744 20 5 EDBDRO CN1CCN(C(=O)C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000289864466 444212888 /nfs/dbraw/zinc/21/28/88/444212888.db2.gz QUDAATREXPZZHS-UHFFFAOYSA-N 1 0 346.431 1.581 20 5 EDBDRO COCCCn1nccc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000289890304 444215730 /nfs/dbraw/zinc/21/57/30/444215730.db2.gz SVLXORHHKOIDKC-UHFFFAOYSA-N 1 0 333.392 1.793 20 5 EDBDRO CC[C@@H]([NH3+])CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000295238093 444172581 /nfs/dbraw/zinc/17/25/81/444172581.db2.gz OUFLTROPMAASRO-UKRRQHHQSA-N 1 0 348.403 1.361 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000289648308 444186063 /nfs/dbraw/zinc/18/60/63/444186063.db2.gz LMFMOISDDOJPHN-GJZGRUSLSA-N 1 0 348.403 1.325 20 5 EDBDRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])NC(=O)NC1=O ZINC000289709497 444193601 /nfs/dbraw/zinc/19/36/01/444193601.db2.gz OVEHYXADYRXXJH-LRDDRELGSA-N 1 0 332.360 1.547 20 5 EDBDRO COc1cccc([N+](=O)[O-])c1N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000576767832 321594986 /nfs/dbraw/zinc/59/49/86/321594986.db2.gz RLMVBCXLOZLMCX-CYBMUJFWSA-N 1 0 348.403 1.394 20 5 EDBDRO CN(C)S(=O)(=O)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000290036118 444233821 /nfs/dbraw/zinc/23/38/21/444233821.db2.gz DEMQHAWQTBGKRP-AWEZNQCLSA-N 1 0 341.433 1.798 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000304288506 444245633 /nfs/dbraw/zinc/24/56/33/444245633.db2.gz BLXNGBJTMUJFFS-HOCLYGCPSA-N 1 0 337.424 1.103 20 5 EDBDRO C[N@H+](CCNc1nccc(C(N)=O)c1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000290749142 444319090 /nfs/dbraw/zinc/31/90/90/444319090.db2.gz ILKQFFYBDTUDPZ-UHFFFAOYSA-N 1 0 347.350 1.772 20 5 EDBDRO CS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000324059822 444350146 /nfs/dbraw/zinc/35/01/46/444350146.db2.gz XDOIKFCWKPFUDU-NHYWBVRUSA-N 1 0 339.417 1.564 20 5 EDBDRO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000324157558 444350663 /nfs/dbraw/zinc/35/06/63/444350663.db2.gz BOQIMQZGFMALDT-KGLIPLIRSA-N 1 0 332.404 1.997 20 5 EDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000325926787 444371549 /nfs/dbraw/zinc/37/15/49/444371549.db2.gz SWTUHOWFFYYNEI-UHFFFAOYSA-N 1 0 333.392 1.663 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000297749427 444328516 /nfs/dbraw/zinc/32/85/16/444328516.db2.gz CXZXVALAJDZWIS-ZDUSSCGKSA-N 1 0 348.403 1.751 20 5 EDBDRO COc1ccccc1[C@]1(C)C[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000579103636 321883229 /nfs/dbraw/zinc/88/32/29/321883229.db2.gz PMYPBDIXZBBWMO-JQFCIGGWSA-N 1 0 346.387 1.481 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H](CO)c2cccnc2)c1 ZINC000580075134 322006636 /nfs/dbraw/zinc/00/66/36/322006636.db2.gz VHFVEMUHZSQKAC-HOCLYGCPSA-N 1 0 347.371 1.095 20 5 EDBDRO Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000580555154 322066428 /nfs/dbraw/zinc/06/64/28/322066428.db2.gz GZGKKGDTSDRLNT-GXTWGEPZSA-N 1 0 346.387 1.735 20 5 EDBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000547439250 322127169 /nfs/dbraw/zinc/12/71/69/322127169.db2.gz RCXXCUCIDHSNAS-LLVKDONJSA-N 1 0 328.394 1.000 20 5 EDBDRO COC(=O)c1cn(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000581444450 322178763 /nfs/dbraw/zinc/17/87/63/322178763.db2.gz VTJVGNXMRXZJJR-LLVKDONJSA-N 1 0 333.348 1.632 20 5 EDBDRO CC1(C)CCC[N@@H+]1CCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000581648698 322202893 /nfs/dbraw/zinc/20/28/93/322202893.db2.gz VIEKCKWIBJQRBB-UHFFFAOYSA-N 1 0 328.394 1.143 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1C ZINC000581993758 322242326 /nfs/dbraw/zinc/24/23/26/322242326.db2.gz OXTLTECTZMTLPB-YPMHNXCESA-N 1 0 325.390 1.194 20 5 EDBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000332362962 444512391 /nfs/dbraw/zinc/51/23/91/444512391.db2.gz XAFKKYPXXNECIF-PBFPGSCMSA-N 1 0 347.415 1.965 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2C[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000342235296 444579693 /nfs/dbraw/zinc/57/96/93/444579693.db2.gz QJMYUFBAHQVKOZ-NXEZZACHSA-N 1 0 330.287 1.890 20 5 EDBDRO Cc1cc(NCc2ccc(C(N)=O)nc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340853249 444544099 /nfs/dbraw/zinc/54/40/99/444544099.db2.gz YMKADCXFCVYZAC-UHFFFAOYSA-N 1 0 337.339 1.979 20 5 EDBDRO CCC[N@@H+]1CCC[C@@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000343912641 444664169 /nfs/dbraw/zinc/66/41/69/444664169.db2.gz DNFMHPSTXRQSQG-LLVKDONJSA-N 1 0 342.421 1.529 20 5 EDBDRO Cn1cc([C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C)cn1 ZINC000342332110 444636085 /nfs/dbraw/zinc/63/60/85/444636085.db2.gz YJESWRGAKWHAOX-UONOGXRCSA-N 1 0 336.396 1.263 20 5 EDBDRO C[C@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000341231664 444740683 /nfs/dbraw/zinc/74/06/83/444740683.db2.gz VOAHHSKMHDDLLV-GFCCVEGCSA-N 1 0 345.403 1.923 20 5 EDBDRO C[C@H]([NH2+][C@H]1CCC(=O)NC1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000338598999 444767665 /nfs/dbraw/zinc/76/76/65/444767665.db2.gz RDZJLTNMTAAHQQ-GWCFXTLKSA-N 1 0 334.376 1.569 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000341507314 444867667 /nfs/dbraw/zinc/86/76/67/444867667.db2.gz CFBMPHLAYAFLLW-YPMHNXCESA-N 1 0 338.360 1.661 20 5 EDBDRO COC(=O)C1CC[NH+](CCCNc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000338985040 444970263 /nfs/dbraw/zinc/97/02/63/444970263.db2.gz DCHFHBCJCDCRHK-UHFFFAOYSA-N 1 0 339.396 1.324 20 5 EDBDRO COc1cc(C(=O)N(C)C[C@H]2C[C@H](OC)C[N@H+]2C)ccc1[N+](=O)[O-] ZINC000344502949 445017756 /nfs/dbraw/zinc/01/77/56/445017756.db2.gz CJLQUOZWDRTINJ-OLZOCXBDSA-N 1 0 337.376 1.395 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000342008574 445120954 /nfs/dbraw/zinc/12/09/54/445120954.db2.gz BMNOXUOHWXUIRZ-YVEFUNNKSA-N 1 0 346.387 1.489 20 5 EDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342089730 445166156 /nfs/dbraw/zinc/16/61/56/445166156.db2.gz BHHTWUNOCFVUQW-KOZAUXTDSA-N 1 0 332.404 1.981 20 5 EDBDRO C[N@@H+]1CCO[C@H]2CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]21 ZINC000343281284 445176406 /nfs/dbraw/zinc/17/64/06/445176406.db2.gz NRRITHSUTGFROG-KGLIPLIRSA-N 1 0 345.359 1.554 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000346131693 445206726 /nfs/dbraw/zinc/20/67/26/445206726.db2.gz BHGMJODLSHMHPS-ZYHUDNBSSA-N 1 0 340.428 1.284 20 5 EDBDRO Cc1ccc(C[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000343417822 445218863 /nfs/dbraw/zinc/21/88/63/445218863.db2.gz FBEYUEKCTRCLTM-SUMWQHHRSA-N 1 0 343.387 1.698 20 5 EDBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000343526631 445238915 /nfs/dbraw/zinc/23/89/15/445238915.db2.gz PQNQQBLMYJVUBQ-LBPRGKRZSA-N 1 0 331.376 1.579 20 5 EDBDRO C[C@H]1[C@@H](Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CCC[N@@H+]1C ZINC000343597233 445256830 /nfs/dbraw/zinc/25/68/30/445256830.db2.gz MSIMROXWKUUKPT-ZANVPECISA-N 1 0 328.394 1.137 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000354511428 445272230 /nfs/dbraw/zinc/27/22/30/445272230.db2.gz QXOGCUAXVVBIQE-LBPRGKRZSA-N 1 0 336.392 1.687 20 5 EDBDRO C[C@@]1([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCc2ccccc21 ZINC000351725343 445294041 /nfs/dbraw/zinc/29/40/41/445294041.db2.gz TYHCRFKGIQNZNH-NVXWUHKLSA-N 1 0 330.388 1.994 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(N3CCC[C@H]3C[N@H+]3CCC[C@H]3CO)nn21 ZINC000362408124 445364651 /nfs/dbraw/zinc/36/46/51/445364651.db2.gz RHSDDAOTMFCHGI-STQMWFEESA-N 1 0 346.391 1.063 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357094072 445424997 /nfs/dbraw/zinc/42/49/97/445424997.db2.gz YBEYWVKUXZCSSL-KBPBESRZSA-N 1 0 332.404 1.773 20 5 EDBDRO C[NH+](C)CC1(NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000355330457 445455874 /nfs/dbraw/zinc/45/58/74/445455874.db2.gz XMPQSGPDGDXQDO-UHFFFAOYSA-N 1 0 327.406 1.499 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000360007889 445525466 /nfs/dbraw/zinc/52/54/66/445525466.db2.gz SIMPGPDSMYPGRA-KGLIPLIRSA-N 1 0 339.417 1.570 20 5 EDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000357290331 445528785 /nfs/dbraw/zinc/52/87/85/445528785.db2.gz CQPJJLAQOZAREV-HSMVNMDESA-N 1 0 343.387 1.897 20 5 EDBDRO C[NH+](C)[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@@H]1O ZINC000359952588 445502088 /nfs/dbraw/zinc/50/20/88/445502088.db2.gz NYOYJYLPTKNWHU-CABCVRRESA-N 1 0 346.362 1.907 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c1 ZINC000360118801 445577326 /nfs/dbraw/zinc/57/73/26/445577326.db2.gz RQSXYLUEANNLKI-ZIAGYGMSSA-N 1 0 339.417 1.863 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](OCC[NH+](C)C)C2)c1 ZINC000360119371 445577553 /nfs/dbraw/zinc/57/75/53/445577553.db2.gz UYZDVCOEKJWETI-CYBMUJFWSA-N 1 0 337.376 1.538 20 5 EDBDRO COc1ccc(CNC(=O)NCCNc2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000356180565 445663868 /nfs/dbraw/zinc/66/38/68/445663868.db2.gz LEJXNRLTEOEMFR-UHFFFAOYSA-N 1 0 345.359 1.332 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000360285337 445676126 /nfs/dbraw/zinc/67/61/26/445676126.db2.gz KEKGMEJHTDHEHF-TZMCWYRMSA-N 1 0 348.403 1.118 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000360653044 445719482 /nfs/dbraw/zinc/71/94/82/445719482.db2.gz NTMLZHMLVSKLNV-RYUDHWBXSA-N 1 0 327.406 1.664 20 5 EDBDRO Cn1ccnc1[C@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000353673388 445701579 /nfs/dbraw/zinc/70/15/79/445701579.db2.gz PGGVPWCPPDAFCN-WBVHZDCISA-N 1 0 345.403 1.074 20 5 EDBDRO CCCc1[nH]nc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1[N+](=O)[O-] ZINC000356447298 445794214 /nfs/dbraw/zinc/79/42/14/445794214.db2.gz ONOIVMGZQFVKFR-UHFFFAOYSA-N 1 0 341.331 2.103 20 5 EDBDRO COc1cc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000392086371 325737916 /nfs/dbraw/zinc/73/79/16/325737916.db2.gz HPAHOYZALXPVGI-JQWIXIFHSA-N 1 0 337.376 1.954 20 5 EDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000372924082 445923452 /nfs/dbraw/zinc/92/34/52/445923452.db2.gz ACEYVHXBDXVMMW-ICHOQEBTSA-N 1 0 345.399 1.666 20 5 EDBDRO COc1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1O ZINC000582959556 325967951 /nfs/dbraw/zinc/96/79/51/325967951.db2.gz FFMGXJWZLMELSS-CQSZACIVSA-N 1 0 348.355 1.839 20 5 EDBDRO CCn1ccnc1[C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000583199398 326025111 /nfs/dbraw/zinc/02/51/11/326025111.db2.gz NMJUJYFIHNJPPG-TZMCWYRMSA-N 1 0 334.376 1.902 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365295216 446131611 /nfs/dbraw/zinc/13/16/11/446131611.db2.gz KXFFDSKVPAYYPX-OCCSQVGLSA-N 1 0 339.417 1.584 20 5 EDBDRO CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000362022612 446159739 /nfs/dbraw/zinc/15/97/39/446159739.db2.gz HACGGJDPKNIAJJ-TZMCWYRMSA-N 1 0 337.376 1.625 20 5 EDBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)C1 ZINC000366479468 446230962 /nfs/dbraw/zinc/23/09/62/446230962.db2.gz GTADOYMPAJCTEQ-QGZVFWFLSA-N 1 0 333.388 1.989 20 5 EDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000370435665 446278664 /nfs/dbraw/zinc/27/86/64/446278664.db2.gz BRPXQLPWCNQITQ-RISCZKNCSA-N 1 0 344.375 1.683 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1N1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000373672215 446296843 /nfs/dbraw/zinc/29/68/43/446296843.db2.gz HJKYLGVBBSCQKV-INIZCTEOSA-N 1 0 334.420 1.356 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000374881233 446433841 /nfs/dbraw/zinc/43/38/41/446433841.db2.gz NLFBDMNGTGMFAY-ZFWWWQNUSA-N 1 0 339.417 1.451 20 5 EDBDRO C[C@@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000420260010 446435941 /nfs/dbraw/zinc/43/59/41/446435941.db2.gz MMZONDBDULHGGO-RKDXNWHRSA-N 1 0 333.435 1.623 20 5 EDBDRO COC(=O)c1cc(N2CC[NH2+]C[C@](C)(F)C2)cc(C)c1[N+](=O)[O-] ZINC000420275773 446445421 /nfs/dbraw/zinc/44/54/21/446445421.db2.gz ZXTAOLUNUWUUKK-HNNXBMFYSA-N 1 0 325.340 1.828 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN[C@H](c2cccc(Cl)c2)C1 ZINC000374901755 446446488 /nfs/dbraw/zinc/44/64/88/446446488.db2.gz KXZWRSNMDMRHFZ-ZDUSSCGKSA-N 1 0 349.778 1.618 20 5 EDBDRO COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000374866145 446424463 /nfs/dbraw/zinc/42/44/63/446424463.db2.gz UOUAZMUXMVABKS-WCXIOVBPSA-N 1 0 345.399 1.754 20 5 EDBDRO COc1ccc(NC(=O)CCN(C2CC2)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420309810 446474011 /nfs/dbraw/zinc/47/40/11/446474011.db2.gz FHVXSFRRXKSSLO-ZDUSSCGKSA-N 1 0 348.403 1.758 20 5 EDBDRO C[C@@]1(C[NH3+])CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420315882 446481980 /nfs/dbraw/zinc/48/19/80/446481980.db2.gz MXPHDAXBYDQRBF-AWEZNQCLSA-N 1 0 327.406 1.039 20 5 EDBDRO C[C@@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C[NH3+])C1 ZINC000420342375 446512830 /nfs/dbraw/zinc/51/28/30/446512830.db2.gz QSWZYRVUIFKXAL-IUODEOHRSA-N 1 0 332.404 1.543 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000367064583 446497835 /nfs/dbraw/zinc/49/78/35/446497835.db2.gz CFONRWAQVISFOT-QWRGUYRKSA-N 1 0 331.369 1.224 20 5 EDBDRO CN1CCC2(CC[NH+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)C1=O ZINC000376474205 446517490 /nfs/dbraw/zinc/51/74/90/446517490.db2.gz VXLDHDFLEYINPE-UHFFFAOYSA-N 1 0 348.359 1.947 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000375024596 446524320 /nfs/dbraw/zinc/52/43/20/446524320.db2.gz XAKNUXANSGKYOZ-CZUORRHYSA-N 1 0 332.404 1.949 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000420443396 446619225 /nfs/dbraw/zinc/61/92/25/446619225.db2.gz LBFXCGAHVNGJDF-LBPRGKRZSA-N 1 0 327.406 1.714 20 5 EDBDRO C[C@@H](CCCC[NH3+])NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420420883 446596556 /nfs/dbraw/zinc/59/65/56/446596556.db2.gz KJDNVAIQXLWHCM-LBPRGKRZSA-N 1 0 329.422 1.574 20 5 EDBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000420430840 446605638 /nfs/dbraw/zinc/60/56/38/446605638.db2.gz WJKQMVGKTJNPHK-HNNXBMFYSA-N 1 0 339.417 1.293 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC000411655166 446636398 /nfs/dbraw/zinc/63/63/98/446636398.db2.gz IVQVSRXYBYPEOR-NEPJUHHUSA-N 1 0 337.376 1.635 20 5 EDBDRO COc1cc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000420453018 446629940 /nfs/dbraw/zinc/62/99/40/446629940.db2.gz UARHCCGRCOJXCT-JTQLQIEISA-N 1 0 329.378 1.024 20 5 EDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418766850 446685543 /nfs/dbraw/zinc/68/55/43/446685543.db2.gz QFCOJTWSDHZPFG-MRXNPFEDSA-N 1 0 349.435 1.418 20 5 EDBDRO O=C(NC[C@H]1C[NH2+]CCO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418775645 446693946 /nfs/dbraw/zinc/69/39/46/446693946.db2.gz WLLGIZMUZTWEGH-OAHLLOKOSA-N 1 0 334.376 1.257 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000376769086 446707283 /nfs/dbraw/zinc/70/72/83/446707283.db2.gz VAZZDPXZRABTGO-HNNXBMFYSA-N 1 0 339.417 1.667 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000453934502 446714699 /nfs/dbraw/zinc/71/46/99/446714699.db2.gz QENDOHYKQQKNQV-RISCZKNCSA-N 1 0 332.360 1.004 20 5 EDBDRO [NH3+][C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000423829679 446719874 /nfs/dbraw/zinc/71/98/74/446719874.db2.gz SHMKYTXBPAAHPA-OAHLLOKOSA-N 1 0 329.360 1.655 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(C(=O)N(C)C)CC1 ZINC000411910964 446721995 /nfs/dbraw/zinc/72/19/95/446721995.db2.gz JKLAJHWCLWUNQS-UHFFFAOYSA-N 1 0 334.376 1.442 20 5 EDBDRO CN(C)C(=O)C1([NH2+]CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000411912271 446723318 /nfs/dbraw/zinc/72/33/18/446723318.db2.gz LSNDMZFOMDTFKS-UHFFFAOYSA-N 1 0 348.359 1.103 20 5 EDBDRO CN(C)C(=O)[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000411937778 446746901 /nfs/dbraw/zinc/74/69/01/446746901.db2.gz GYBYGMSJWLKBGM-SWLSCSKDSA-N 1 0 346.387 1.110 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000411941545 446751828 /nfs/dbraw/zinc/75/18/28/446751828.db2.gz LQDUHZJRHMWLKG-QWHCGFSZSA-N 1 0 348.403 1.640 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@H]2CCOC[C@@H]21 ZINC000368321688 446785547 /nfs/dbraw/zinc/78/55/47/446785547.db2.gz NVGSTUIIELNMQV-HOTGVXAUSA-N 1 0 349.387 1.722 20 5 EDBDRO O=C(C[NH2+][C@H]1CCO[C@H]1C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000375429317 446792231 /nfs/dbraw/zinc/79/22/31/446792231.db2.gz QIKCBNMHOUDASD-YOEHRIQHSA-N 1 0 331.372 1.641 20 5 EDBDRO Cc1nnc([C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000412034468 446795121 /nfs/dbraw/zinc/79/51/21/446795121.db2.gz DPXCNTMZXJKVLE-GFCCVEGCSA-N 1 0 344.375 1.839 20 5 EDBDRO CN(C)S(=O)(=O)c1ccc(NCC2([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000419006693 446861888 /nfs/dbraw/zinc/86/18/88/446861888.db2.gz ICFONMBBRPHWLV-UHFFFAOYSA-N 1 0 342.421 1.351 20 5 EDBDRO Cn1cc([C@@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@H]2[NH3+])cn1 ZINC000424414623 446869806 /nfs/dbraw/zinc/86/98/06/446869806.db2.gz RBESXNSICUKCNF-NWDGAFQWSA-N 1 0 339.359 1.203 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000371507191 446901882 /nfs/dbraw/zinc/90/18/82/446901882.db2.gz YLLNZFMGMSNLOE-HIFRSBDPSA-N 1 0 339.417 1.451 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000372368742 447050004 /nfs/dbraw/zinc/05/00/04/447050004.db2.gz PGMXDYCRXLATMJ-AWEZNQCLSA-N 1 0 344.375 1.770 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN(CCO)C[C@@H]1C ZINC000455137871 447061226 /nfs/dbraw/zinc/06/12/26/447061226.db2.gz IVPRJUVOXUKHQR-ZDUSSCGKSA-N 1 0 336.392 1.742 20 5 EDBDRO COc1c[nH+]ccc1N1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413266176 447104771 /nfs/dbraw/zinc/10/47/71/447104771.db2.gz LOHWKBTXURWNQC-UHFFFAOYSA-N 1 0 333.323 1.859 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000444167281 447085491 /nfs/dbraw/zinc/08/54/91/447085491.db2.gz DNRXNOCRZMVWDK-UHFFFAOYSA-N 1 0 329.422 1.912 20 5 EDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CNc4ccnn4C3)CC2)n1 ZINC000619267283 450439149 /nfs/dbraw/zinc/43/91/49/450439149.db2.gz YDHUGFLDJAOCMF-LBPRGKRZSA-N 1 0 331.380 1.367 20 5 EDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000421703010 447223192 /nfs/dbraw/zinc/22/31/92/447223192.db2.gz LJKZMKGCEPNPPE-INIZCTEOSA-N 1 0 343.387 1.947 20 5 EDBDRO CNc1nc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000455788218 447230669 /nfs/dbraw/zinc/23/06/69/447230669.db2.gz KOIMXQUEQFLMQM-GFCCVEGCSA-N 1 0 335.408 1.978 20 5 EDBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456065926 447291553 /nfs/dbraw/zinc/29/15/53/447291553.db2.gz UZDJRQZZIRZEGR-UHFFFAOYSA-N 1 0 335.408 1.980 20 5 EDBDRO Cc1nc(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000450406442 447481262 /nfs/dbraw/zinc/48/12/62/447481262.db2.gz HJJJOVPYUWQMOS-CABCVRRESA-N 1 0 343.387 1.741 20 5 EDBDRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415479242 447470290 /nfs/dbraw/zinc/47/02/90/447470290.db2.gz FIPZWGWILUCULC-UHFFFAOYSA-N 1 0 326.328 1.116 20 5 EDBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2CCC[N@H+]2CCCO)s1 ZINC000450598144 447535150 /nfs/dbraw/zinc/53/51/50/447535150.db2.gz QAKXJDWJEJQXLW-JTQLQIEISA-N 1 0 337.405 1.858 20 5 EDBDRO CCOC(=O)c1ccnc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1[N+](=O)[O-] ZINC000420224468 447678021 /nfs/dbraw/zinc/67/80/21/447678021.db2.gz AYSNFWQOXXEOMO-DRZSPHRISA-N 1 0 334.376 1.730 20 5 EDBDRO COc1cccc(NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1[N+](=O)[O-] ZINC000420232723 447680603 /nfs/dbraw/zinc/68/06/03/447680603.db2.gz AOYBKADPQVTBBE-LBPRGKRZSA-N 1 0 348.325 1.851 20 5 EDBDRO CON1CCC([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000459577611 447710735 /nfs/dbraw/zinc/71/07/35/447710735.db2.gz GWTJNDOBWIFGBB-UHFFFAOYSA-N 1 0 348.403 1.442 20 5 EDBDRO O=C(C[NH2+]C1(CO)CCSCC1)Nc1ccccc1[N+](=O)[O-] ZINC000459708149 447746076 /nfs/dbraw/zinc/74/60/76/447746076.db2.gz XBQUVRZUNJXDEP-UHFFFAOYSA-N 1 0 325.390 1.381 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458221680 447748362 /nfs/dbraw/zinc/74/83/62/447748362.db2.gz KPZQKPPCVHIXRR-UHFFFAOYSA-N 1 0 337.405 1.594 20 5 EDBDRO O=C(CN1CC[C@H]2CC[C@@H](C1)[NH2+]2)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000430555646 447777908 /nfs/dbraw/zinc/77/79/08/447777908.db2.gz PEEZBKRTSKGSKH-MNOVXSKESA-N 1 0 348.359 1.088 20 5 EDBDRO CC(C)([NH3+])c1noc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000430580409 447781494 /nfs/dbraw/zinc/78/14/94/447781494.db2.gz FABHPNCWWWTSON-UHFFFAOYSA-N 1 0 346.391 1.494 20 5 EDBDRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000423114258 447808858 /nfs/dbraw/zinc/80/88/58/447808858.db2.gz ZDFWHNDAKLRNDV-GFCCVEGCSA-N 1 0 348.403 1.139 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000489151900 447851794 /nfs/dbraw/zinc/85/17/94/447851794.db2.gz WUFTUFAKHKWWGX-QGZVFWFLSA-N 1 0 347.371 1.740 20 5 EDBDRO CCOC(=O)c1ccnc(N2CC[N@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000487111659 447827427 /nfs/dbraw/zinc/82/74/27/447827427.db2.gz JTZXSMQZXUTEDF-CYBMUJFWSA-N 1 0 336.392 1.943 20 5 EDBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000487270894 447828852 /nfs/dbraw/zinc/82/88/52/447828852.db2.gz KLWOXFAGKHJAMN-NEPJUHHUSA-N 1 0 341.433 1.897 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569694023 447869961 /nfs/dbraw/zinc/86/99/61/447869961.db2.gz GKGIUVOGPAKDFO-QGZVFWFLSA-N 1 0 332.404 1.917 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000530378619 447874818 /nfs/dbraw/zinc/87/48/18/447874818.db2.gz ILXFMIHDCBNSMC-SNVBAGLBSA-N 1 0 330.410 1.384 20 5 EDBDRO CC(C)(C)C[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000575988587 447943992 /nfs/dbraw/zinc/94/39/92/447943992.db2.gz RNQXZHYWRHFQAB-LBPRGKRZSA-N 1 0 344.433 1.755 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000525307112 447994234 /nfs/dbraw/zinc/99/42/34/447994234.db2.gz VGDNQCQBSKXNIY-NSHDSACASA-N 1 0 327.406 1.523 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000531153239 448029079 /nfs/dbraw/zinc/02/90/79/448029079.db2.gz OMQYQSWUAQKVQD-MNOVXSKESA-N 1 0 342.421 1.527 20 5 EDBDRO CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCCC[NH2+]C ZINC000576343819 448032797 /nfs/dbraw/zinc/03/27/97/448032797.db2.gz IXGWWCIVEQAIKT-UHFFFAOYSA-N 1 0 348.359 1.946 20 5 EDBDRO NC(=O)C1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000570590200 448034355 /nfs/dbraw/zinc/03/43/55/448034355.db2.gz ZZJPHWZACZLNDG-OLZOCXBDSA-N 1 0 335.408 1.910 20 5 EDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492363723 448208585 /nfs/dbraw/zinc/20/85/85/448208585.db2.gz KVGUQUIHWBYSEP-YYRKOSNBSA-N 1 0 335.404 1.817 20 5 EDBDRO CN1CCN(c2cc[nH+]cc2NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531881556 448166252 /nfs/dbraw/zinc/16/62/52/448166252.db2.gz PAXAEBXQUQDXBM-UHFFFAOYSA-N 1 0 342.359 1.389 20 5 EDBDRO Cc1cc(N2CCN(C)C[C@@H]2C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000514850537 448213724 /nfs/dbraw/zinc/21/37/24/448213724.db2.gz YXUVJDJPWGJGNE-HNNXBMFYSA-N 1 0 342.403 1.439 20 5 EDBDRO Cc1cccc(O[C@H](C)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000577172328 448224657 /nfs/dbraw/zinc/22/46/57/448224657.db2.gz PRRFVRNGYABHKH-HIFRSBDPSA-N 1 0 334.376 1.518 20 5 EDBDRO CC[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000591304257 448316151 /nfs/dbraw/zinc/31/61/51/448316151.db2.gz VPZZYAGZCGFPHZ-RYUDHWBXSA-N 1 0 334.376 1.428 20 5 EDBDRO CCOc1cc(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000582587876 448281633 /nfs/dbraw/zinc/28/16/33/448281633.db2.gz BXGMNZSDRMQMGU-SMDDNHRTSA-N 1 0 349.387 1.778 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC[C@H]1CCCC[NH2+]1 ZINC000591357174 448340684 /nfs/dbraw/zinc/34/06/84/448340684.db2.gz HIDSISSKJVSUPA-SNVBAGLBSA-N 1 0 332.364 1.412 20 5 EDBDRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582796039 448342833 /nfs/dbraw/zinc/34/28/33/448342833.db2.gz HSVUWCLEBROSNL-CYBMUJFWSA-N 1 0 342.421 1.004 20 5 EDBDRO O=C1C[C@H](N2CC[C@@H]3OCC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000572601909 448419523 /nfs/dbraw/zinc/41/95/23/448419523.db2.gz AQZNYFVZAAITTM-UGFHNGPFSA-N 1 0 345.355 1.338 20 5 EDBDRO COc1ccccc1[C@H]([NH3+])CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000591681013 448449441 /nfs/dbraw/zinc/44/94/41/448449441.db2.gz MDANCXJCDNMOTQ-CYBMUJFWSA-N 1 0 347.375 1.315 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]([NH3+])c2ccccc2OC)n1 ZINC000591680810 448449781 /nfs/dbraw/zinc/44/97/81/448449781.db2.gz JQSSUQRVRJYGSJ-LLVKDONJSA-N 1 0 333.348 1.250 20 5 EDBDRO Cc1c(F)cccc1NC(=O)CC[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000591756645 448482007 /nfs/dbraw/zinc/48/20/07/448482007.db2.gz LKHWWWVHEUVGBV-UHFFFAOYSA-N 1 0 335.339 1.857 20 5 EDBDRO CC(C)(C)Oc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000584406576 448513920 /nfs/dbraw/zinc/51/39/20/448513920.db2.gz RFGYWOFMNJTLIY-AWEZNQCLSA-N 1 0 349.391 1.514 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000537962505 448574631 /nfs/dbraw/zinc/57/46/31/448574631.db2.gz BMXTZZDFFMHVFP-AAEUAGOBSA-N 1 0 328.390 1.367 20 5 EDBDRO CC(C)[NH2+]CCCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000566678094 448535913 /nfs/dbraw/zinc/53/59/13/448535913.db2.gz PZPAFKSZYUPNMJ-UHFFFAOYSA-N 1 0 329.422 1.445 20 5 EDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000517741896 448613149 /nfs/dbraw/zinc/61/31/49/448613149.db2.gz IGFHCKYZGMTJNT-JGVFFNPUSA-N 1 0 328.756 1.429 20 5 EDBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000592007304 448622233 /nfs/dbraw/zinc/62/22/33/448622233.db2.gz DMXGDHACGXUHPD-ZIAGYGMSSA-N 1 0 333.392 1.027 20 5 EDBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000567508490 448707339 /nfs/dbraw/zinc/70/73/39/448707339.db2.gz KKPCPOKUKUIPJJ-NEPJUHHUSA-N 1 0 327.406 1.588 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000592250704 448762602 /nfs/dbraw/zinc/76/26/02/448762602.db2.gz VJUWJDZIUIFMRO-LBPRGKRZSA-N 1 0 349.391 1.487 20 5 EDBDRO Cn1c2cc([N+](=O)[O-])c(N3CCC[C@@H]([NH+](C)C)C3)cc2n(C)c1=O ZINC000585706764 448744555 /nfs/dbraw/zinc/74/45/55/448744555.db2.gz XBWBLBYMPAIMHB-LLVKDONJSA-N 1 0 333.392 1.316 20 5 EDBDRO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3ccc([N+](=O)[O-])cn3)n1)OC2 ZINC000579289211 448759237 /nfs/dbraw/zinc/75/92/37/448759237.db2.gz GDTKYFRHUNAKBY-SWLSCSKDSA-N 1 0 331.332 1.966 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000592379204 448812633 /nfs/dbraw/zinc/81/26/33/448812633.db2.gz KBDZBCUFDDAXNR-GFCCVEGCSA-N 1 0 343.405 1.222 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCCN(c3ccccc3)C2)c1 ZINC000574072030 448785967 /nfs/dbraw/zinc/78/59/67/448785967.db2.gz PJIYVHZORZPIKO-PBHICJAKSA-N 1 0 345.403 1.411 20 5 EDBDRO COCCN1CC[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000519564689 448786322 /nfs/dbraw/zinc/78/63/22/448786322.db2.gz ZUTKTOOSUPKPJU-CQSZACIVSA-N 1 0 332.404 1.929 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592382139 448814363 /nfs/dbraw/zinc/81/43/63/448814363.db2.gz JSOVGFLBNQELTD-GXTWGEPZSA-N 1 0 327.406 1.484 20 5 EDBDRO [NH3+]CCC1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000519710131 448825297 /nfs/dbraw/zinc/82/52/97/448825297.db2.gz UTGUZAYYGHWUNS-UHFFFAOYSA-N 1 0 332.404 1.545 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC[C@H](O)C(F)(F)F ZINC000592430580 448832679 /nfs/dbraw/zinc/83/26/79/448832679.db2.gz SIYCEADQMIMQBR-SKDRFNHKSA-N 1 0 338.282 1.237 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(CO)cc1 ZINC000592430234 448832736 /nfs/dbraw/zinc/83/27/36/448832736.db2.gz IKALWZAMIBQYFS-HNNXBMFYSA-N 1 0 332.356 1.617 20 5 EDBDRO [NH3+]C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000592472275 448851222 /nfs/dbraw/zinc/85/12/22/448851222.db2.gz RSMXOJTVUDQDPS-CQSZACIVSA-N 1 0 332.404 1.665 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592486551 448856989 /nfs/dbraw/zinc/85/69/89/448856989.db2.gz KLZUETCBBGVPEE-LBPRGKRZSA-N 1 0 343.387 1.900 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000579728124 448866305 /nfs/dbraw/zinc/86/63/05/448866305.db2.gz GLTKVMLAXCLWDY-CQSZACIVSA-N 1 0 348.403 1.784 20 5 EDBDRO CC[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@H]1[NH3+] ZINC000592488657 448859812 /nfs/dbraw/zinc/85/98/12/448859812.db2.gz KREGSOQPJAQJJL-WQVCFCJDSA-N 1 0 332.404 1.759 20 5 EDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000588866519 448943251 /nfs/dbraw/zinc/94/32/51/448943251.db2.gz KREQTGXWDPKHAS-WDEREUQCSA-N 1 0 327.406 1.114 20 5 EDBDRO C[C@H]1CC[N@H+](CCNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000521929402 449029424 /nfs/dbraw/zinc/02/94/24/449029424.db2.gz RHFQWFPEAZTASV-ZDUSSCGKSA-N 1 0 341.433 1.399 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c1 ZINC000595607999 449076874 /nfs/dbraw/zinc/07/68/74/449076874.db2.gz MSPMCCXZSAWVIN-LBPRGKRZSA-N 1 0 345.359 1.495 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c1C ZINC000589924438 449080667 /nfs/dbraw/zinc/08/06/67/449080667.db2.gz CAWNWXJBGSVBJO-TZMCWYRMSA-N 1 0 339.417 1.536 20 5 EDBDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582296667 449060033 /nfs/dbraw/zinc/06/00/33/449060033.db2.gz QVAYTNQJXXKOJZ-BPLDGKMQSA-N 1 0 335.404 1.407 20 5 EDBDRO O=C(CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595735609 449137335 /nfs/dbraw/zinc/13/73/35/449137335.db2.gz BLIOWPHBVPYCKW-DOMZBBRYSA-N 1 0 346.387 1.524 20 5 EDBDRO C[N@@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@H](Cc2ccccc2)C1 ZINC000593090411 449129630 /nfs/dbraw/zinc/12/96/30/449129630.db2.gz WXWGAINETQGRSG-MRXNPFEDSA-N 1 0 329.404 1.650 20 5 EDBDRO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCc2ccccc21 ZINC000593096428 449132454 /nfs/dbraw/zinc/13/24/54/449132454.db2.gz SIFKBYAMOGCWQH-CZUORRHYSA-N 1 0 330.388 1.814 20 5 EDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593655278 449132638 /nfs/dbraw/zinc/13/26/38/449132638.db2.gz BNPVEKUCVLUZTP-PTNGSMBKSA-N 1 0 346.431 1.704 20 5 EDBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593583153 449089840 /nfs/dbraw/zinc/08/98/40/449089840.db2.gz ZLPZJXRJFDJNFM-RYUDHWBXSA-N 1 0 342.421 1.389 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000590011733 449097210 /nfs/dbraw/zinc/09/72/10/449097210.db2.gz IJJOOMNJGQMVFL-CJNGLKHVSA-N 1 0 332.404 1.868 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000590352514 449136066 /nfs/dbraw/zinc/13/60/66/449136066.db2.gz OCBKBUVUYOXPPL-CQSZACIVSA-N 1 0 348.403 1.625 20 5 EDBDRO C[C@H]1CC[C@@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C[NH2+]1 ZINC000599932952 449113664 /nfs/dbraw/zinc/11/36/64/449113664.db2.gz FWAKNOFKFOZAIQ-NWDGAFQWSA-N 1 0 336.396 1.278 20 5 EDBDRO O=C(NC[C@@H]1COCC[NH2+]1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599938151 449116937 /nfs/dbraw/zinc/11/69/37/449116937.db2.gz HJWJQRLETSEZRC-LSDHHAIUSA-N 1 0 348.403 1.472 20 5 EDBDRO CC(C)(C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599938117 449116980 /nfs/dbraw/zinc/11/69/80/449116980.db2.gz MOMFHEFPAGGTHT-JKSUJKDBSA-N 1 0 347.415 1.540 20 5 EDBDRO C[C@@]12COC[C@]1(C)C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000595688579 449119726 /nfs/dbraw/zinc/11/97/26/449119726.db2.gz HTFVMZSJOMURIM-OIISXLGYSA-N 1 0 336.388 1.693 20 5 EDBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000597942277 449152172 /nfs/dbraw/zinc/15/21/72/449152172.db2.gz JYDAQNXUACKCHO-NSHDSACASA-N 1 0 328.438 1.658 20 5 EDBDRO CCO[C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593706582 449153981 /nfs/dbraw/zinc/15/39/81/449153981.db2.gz QBVUISYEIMYGAZ-UKRRQHHQSA-N 1 0 336.392 1.143 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000590441240 449162223 /nfs/dbraw/zinc/16/22/23/449162223.db2.gz CSSOQKQJFLHLGN-ABAIWWIYSA-N 1 0 347.371 1.548 20 5 EDBDRO O=C1[C@H]([NH2+][C@H]2C[C@H](O)C23CCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595786101 449164235 /nfs/dbraw/zinc/16/42/35/449164235.db2.gz ZVVDCPDMUZSCCH-ILXRZTDVSA-N 1 0 331.372 1.593 20 5 EDBDRO Cc1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000590399152 449146947 /nfs/dbraw/zinc/14/69/47/449146947.db2.gz CGYZGIHLOPCVNM-HOTGVXAUSA-N 1 0 333.388 1.838 20 5 EDBDRO COc1cc(OCC(=O)NCC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000597991612 449176975 /nfs/dbraw/zinc/17/69/75/449176975.db2.gz FSTBSGHYURHSCE-LLVKDONJSA-N 1 0 325.365 1.439 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000590588778 449204186 /nfs/dbraw/zinc/20/41/86/449204186.db2.gz JYPYHZXFUNKZAR-BXUZGUMPSA-N 1 0 327.406 1.616 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000590590467 449207307 /nfs/dbraw/zinc/20/73/07/449207307.db2.gz XMLNVKRISPAQOC-OCCSQVGLSA-N 1 0 341.433 1.925 20 5 EDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000590566153 449193871 /nfs/dbraw/zinc/19/38/71/449193871.db2.gz FICXXHOWNWWSJU-WCQYABFASA-N 1 0 344.375 1.340 20 5 EDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000590566694 449194399 /nfs/dbraw/zinc/19/43/99/449194399.db2.gz QEYGGDXOTCGJKT-MLGOLLRUSA-N 1 0 343.387 1.945 20 5 EDBDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000600213226 449247047 /nfs/dbraw/zinc/24/70/47/449247047.db2.gz LBNNFGIFDTTZBU-CYBMUJFWSA-N 1 0 341.433 1.664 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601961090 449247728 /nfs/dbraw/zinc/24/77/28/449247728.db2.gz ZHVNKZGUWCTIKR-JZYVYDRUSA-N 1 0 331.419 1.145 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCC1CC[NH2+]CC1 ZINC000593918474 449286133 /nfs/dbraw/zinc/28/61/33/449286133.db2.gz DWEPSNGKYVACMU-LBPRGKRZSA-N 1 0 348.403 1.219 20 5 EDBDRO Nc1c(C(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cccc1[N+](=O)[O-] ZINC000593919435 449287011 /nfs/dbraw/zinc/28/70/11/449287011.db2.gz QZBWTFVZLKYVOT-UXIGCNINSA-N 1 0 348.403 1.678 20 5 EDBDRO C[C@@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H]1CCC[NH3+] ZINC000595972449 449291550 /nfs/dbraw/zinc/29/15/50/449291550.db2.gz CBOIPRMOVHWRDV-CHWSQXEVSA-N 1 0 336.392 1.123 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593459982 449295526 /nfs/dbraw/zinc/29/55/26/449295526.db2.gz YLMKLHCRPCZBRE-CYBMUJFWSA-N 1 0 325.340 1.113 20 5 EDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593514772 449318825 /nfs/dbraw/zinc/31/88/25/449318825.db2.gz CMOXWIPKGSSHEZ-CQSZACIVSA-N 1 0 341.383 1.749 20 5 EDBDRO COc1cccc2c1C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000590759791 449278156 /nfs/dbraw/zinc/27/81/56/449278156.db2.gz OHLKUIOJDHWHQL-AWEZNQCLSA-N 1 0 332.360 1.219 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593910666 449280662 /nfs/dbraw/zinc/28/06/62/449280662.db2.gz ASLHSUZAJUGHBC-WOSRLPQWSA-N 1 0 348.403 1.657 20 5 EDBDRO CCCN1CC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000596066015 449344601 /nfs/dbraw/zinc/34/46/01/449344601.db2.gz NRTZTCPKCSFKDA-CYBMUJFWSA-N 1 0 341.433 1.442 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCN2Cc2ccccc2)c1 ZINC000596067890 449345513 /nfs/dbraw/zinc/34/55/13/449345513.db2.gz RKZIXZCDQHOSFO-NVXWUHKLSA-N 1 0 345.403 1.016 20 5 EDBDRO Nc1ccc(NCCC[N@@H+]2CCc3ccccc3C2)nc1[N+](=O)[O-] ZINC000596073834 449349402 /nfs/dbraw/zinc/34/94/02/449349402.db2.gz BJODXPORIDBINL-UHFFFAOYSA-N 1 0 327.388 2.432 20 5 EDBDRO COC(=O)c1c(Cl)c(N2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000596082826 449354711 /nfs/dbraw/zinc/35/47/11/449354711.db2.gz NRIVBGIMFGTMRE-RKDXNWHRSA-N 1 0 325.752 1.690 20 5 EDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000602112493 449355117 /nfs/dbraw/zinc/35/51/17/449355117.db2.gz QTUQFFNHZNGGHS-IAGOWNOFSA-N 1 0 347.415 1.897 20 5 EDBDRO NC(=O)c1cc(N2CC[NH+](CC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000596130558 449379028 /nfs/dbraw/zinc/37/90/28/449379028.db2.gz ROHOPWIMQPEQKB-UHFFFAOYSA-N 1 0 348.403 1.242 20 5 EDBDRO O=[N+]([O-])c1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)ccc1C(F)(F)F ZINC000596296684 449462476 /nfs/dbraw/zinc/46/24/76/449462476.db2.gz YKNQSNRQYVPXCM-LLVKDONJSA-N 1 0 331.294 1.869 20 5 EDBDRO C[C@@H](C(=O)NC[C@]1(O)C[NH+]2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC000594357696 449465179 /nfs/dbraw/zinc/46/51/79/449465179.db2.gz LOLJEUAWQRDNEW-PXAZEXFGSA-N 1 0 333.388 1.271 20 5 EDBDRO O=[N+]([O-])c1c(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ncnc1N1CCOCC1 ZINC000598590577 449480398 /nfs/dbraw/zinc/48/03/98/449480398.db2.gz PACICIUKIINXQN-STQMWFEESA-N 1 0 348.407 1.260 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1 ZINC000600669419 449483019 /nfs/dbraw/zinc/48/30/19/449483019.db2.gz LLYWWGPUSYSGHY-JYAVWHMHSA-N 1 0 339.417 1.392 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598667472 449529860 /nfs/dbraw/zinc/52/98/60/449529860.db2.gz IOJABLQCVVAROL-PPHDSNJXSA-N 1 0 346.387 1.053 20 5 EDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000598668322 449530057 /nfs/dbraw/zinc/53/00/57/449530057.db2.gz SUQRRZZTRKEVNE-CXAGYDPISA-N 1 0 346.387 1.055 20 5 EDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000598669376 449530994 /nfs/dbraw/zinc/53/09/94/449530994.db2.gz IPHISFBJELXTMB-MGPLVRAMSA-N 1 0 333.344 1.319 20 5 EDBDRO O=[N+]([O-])c1cnc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(Cl)c1 ZINC000596537859 449545314 /nfs/dbraw/zinc/54/53/14/449545314.db2.gz IQDKHFAQQFCYEF-GFCCVEGCSA-N 1 0 326.784 1.679 20 5 EDBDRO O=[N+]([O-])c1c(NCC23CCC[NH+]2CCC3)ncnc1N1CCOCC1 ZINC000598622506 449499570 /nfs/dbraw/zinc/49/95/70/449499570.db2.gz OCBACUGARHFRBX-UHFFFAOYSA-N 1 0 348.407 1.262 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596477799 449521620 /nfs/dbraw/zinc/52/16/20/449521620.db2.gz KCMSRFJHXLGZAR-NSHDSACASA-N 1 0 333.392 1.908 20 5 EDBDRO C[NH2+]C1(CNC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)CCC1 ZINC000600824694 449566254 /nfs/dbraw/zinc/56/62/54/449566254.db2.gz MZUREFLAIHANFM-UHFFFAOYSA-N 1 0 344.375 1.356 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598716922 449560408 /nfs/dbraw/zinc/56/04/08/449560408.db2.gz WGTVMGQPMWKQIV-CMPLNLGQSA-N 1 0 327.406 1.569 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c(C)c1[N+](=O)[O-] ZINC000598721328 449562837 /nfs/dbraw/zinc/56/28/37/449562837.db2.gz VEGTXUUZLUXQFJ-MFKMUULPSA-N 1 0 341.433 1.960 20 5 EDBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H](n3cncn3)C1)OCCO2 ZINC000614453148 449619045 /nfs/dbraw/zinc/61/90/45/449619045.db2.gz YTWXHYYPEBDHCB-GFCCVEGCSA-N 1 0 331.332 1.405 20 5 EDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000602525478 449650362 /nfs/dbraw/zinc/65/03/62/449650362.db2.gz BNDSVJIYJZPMPX-MRXNPFEDSA-N 1 0 343.387 1.851 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCSCCCO)CC2)cn1 ZINC000602540252 449661955 /nfs/dbraw/zinc/66/19/55/449661955.db2.gz YBNFWPROSCVKSS-UHFFFAOYSA-N 1 0 340.449 1.664 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000594749364 449665493 /nfs/dbraw/zinc/66/54/93/449665493.db2.gz SNVCILCEGVZFLW-NEPJUHHUSA-N 1 0 342.421 1.389 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000594755084 449669719 /nfs/dbraw/zinc/66/97/19/449669719.db2.gz HYLMZCCPKDMKAF-LBPRGKRZSA-N 1 0 342.421 1.390 20 5 EDBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594770450 449683498 /nfs/dbraw/zinc/68/34/98/449683498.db2.gz HHYGBXYJNPHKHH-NWDGAFQWSA-N 1 0 342.421 1.389 20 5 EDBDRO O=C1CCCN1CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602504737 449636447 /nfs/dbraw/zinc/63/64/47/449636447.db2.gz UFEBWDCRYBRVEE-UHFFFAOYSA-N 1 0 347.419 1.561 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000594790162 449699650 /nfs/dbraw/zinc/69/96/50/449699650.db2.gz SQSRHBQNHPPWJE-AWEZNQCLSA-N 1 0 341.433 1.887 20 5 EDBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3ncc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000601130508 449706373 /nfs/dbraw/zinc/70/63/73/449706373.db2.gz VTTOERDMFXBENQ-CQSZACIVSA-N 1 0 337.399 1.734 20 5 EDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)c21 ZINC000612444752 449709132 /nfs/dbraw/zinc/70/91/32/449709132.db2.gz MRGDUSINTSHHOU-UKRRQHHQSA-N 1 0 343.387 1.573 20 5 EDBDRO CNS(=O)(=O)[C@@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599060800 449713997 /nfs/dbraw/zinc/71/39/97/449713997.db2.gz ZNQVEGQIYNWBNQ-LLVKDONJSA-N 1 0 336.373 1.271 20 5 EDBDRO C[C@@H](CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+](C)C ZINC000594815753 449725412 /nfs/dbraw/zinc/72/54/12/449725412.db2.gz BNEBJBKIVVBSAU-VIFPVBQESA-N 1 0 335.813 1.867 20 5 EDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000599102471 449734494 /nfs/dbraw/zinc/73/44/94/449734494.db2.gz NSHGDDFITZAIPW-CYBMUJFWSA-N 1 0 325.390 1.299 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000599102855 449734511 /nfs/dbraw/zinc/73/45/11/449734511.db2.gz FUFJLFPNQJNSKS-ZJUUUORDSA-N 1 0 329.378 1.022 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000599103927 449735163 /nfs/dbraw/zinc/73/51/63/449735163.db2.gz VISAGRNZFXAAOS-QWHCGFSZSA-N 1 0 327.406 1.576 20 5 EDBDRO CCN(CC[NH3+])S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000599106851 449739546 /nfs/dbraw/zinc/73/95/46/449739546.db2.gz JSAMXCMSAKLRIL-UHFFFAOYSA-N 1 0 342.204 1.871 20 5 EDBDRO C[C@H](C[C@@H]1CCOC1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612576209 449781761 /nfs/dbraw/zinc/78/17/61/449781761.db2.gz WBPMEPKRGJKTGX-OLZOCXBDSA-N 1 0 342.417 1.773 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000614711149 449766524 /nfs/dbraw/zinc/76/65/24/449766524.db2.gz HHFSUKUSUXMDMU-KCPJHIHWSA-N 1 0 348.403 1.312 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2csc(NCC[N@H+]3CC[C@H](O)C3)n2)cc1 ZINC000599198906 449793013 /nfs/dbraw/zinc/79/30/13/449793013.db2.gz ALJSMSRFHSFKFH-ZDUSSCGKSA-N 1 0 334.401 2.197 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCN(CC(C)C)CC2)c([N+](=O)[O-])s1 ZINC000601289410 449801069 /nfs/dbraw/zinc/80/10/69/449801069.db2.gz NGBQQNOKUAHUNX-UHFFFAOYSA-N 1 0 347.462 1.927 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000601344804 449854887 /nfs/dbraw/zinc/85/48/87/449854887.db2.gz FRPWKHSQDLCHSN-SNVBAGLBSA-N 1 0 333.435 1.537 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c([N+](=O)[O-])s1 ZINC000601341282 449849299 /nfs/dbraw/zinc/84/92/99/449849299.db2.gz AAGMUIQIAIOMRP-PHIMTYICSA-N 1 0 345.446 1.585 20 5 EDBDRO CCN(C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[N@H+](C)C1 ZINC000597300448 449929731 /nfs/dbraw/zinc/92/97/31/449929731.db2.gz JFZNIGGUPYGQSK-CQSZACIVSA-N 1 0 348.403 1.072 20 5 EDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000601421023 449938395 /nfs/dbraw/zinc/93/83/95/449938395.db2.gz ACQHMDVUKDDDCG-CABZTGNLSA-N 1 0 331.369 1.447 20 5 EDBDRO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000601439358 449960915 /nfs/dbraw/zinc/96/09/15/449960915.db2.gz FDMZXVGMFMLARR-LLVKDONJSA-N 1 0 328.394 1.095 20 5 EDBDRO [NH3+][C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[C@H]1F ZINC000595260761 449982656 /nfs/dbraw/zinc/98/26/56/449982656.db2.gz KRPZWEZHIDWHFV-CHWSQXEVSA-N 1 0 336.367 1.706 20 5 EDBDRO [NH3+][C@@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[C@H]1F ZINC000595261130 449984343 /nfs/dbraw/zinc/98/43/43/449984343.db2.gz SELKFURMFXXPRS-GHMZBOCLSA-N 1 0 333.323 1.292 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000609257770 449984399 /nfs/dbraw/zinc/98/43/99/449984399.db2.gz DQTRZZDRZJWLCE-HZPDHXFCSA-N 1 0 346.387 1.868 20 5 EDBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609383037 450020582 /nfs/dbraw/zinc/02/05/82/450020582.db2.gz IKPWQSUDAHJCFV-LLVKDONJSA-N 1 0 333.344 1.538 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000595353618 450068264 /nfs/dbraw/zinc/06/82/64/450068264.db2.gz IRIPHKVOSIFYII-GFCCVEGCSA-N 1 0 327.406 1.666 20 5 EDBDRO Cc1c(CNC(=O)c2cnn(CC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000601525795 450047951 /nfs/dbraw/zinc/04/79/51/450047951.db2.gz PPTBCHXBMCSMOK-UHFFFAOYSA-N 1 0 331.376 1.591 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCCO)C1CC1 ZINC000609846130 450104207 /nfs/dbraw/zinc/10/42/07/450104207.db2.gz DDFIQSNBOCEONM-UHFFFAOYSA-N 1 0 337.376 1.779 20 5 EDBDRO CN(CCCC[NH+](C)C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000610112150 450141680 /nfs/dbraw/zinc/14/16/80/450141680.db2.gz ZQWWYMSWZRMSQH-UHFFFAOYSA-N 1 0 346.391 1.589 20 5 EDBDRO C[NH+](C)CCc1cn([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)nn1 ZINC000603214121 450147896 /nfs/dbraw/zinc/14/78/96/450147896.db2.gz BWBJXGDNIAIIAQ-HNNXBMFYSA-N 1 0 344.375 1.268 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599681361 450148649 /nfs/dbraw/zinc/14/86/49/450148649.db2.gz OJQAFMYICPLCPI-FABXCBLPSA-N 1 0 349.387 1.777 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000610177405 450149668 /nfs/dbraw/zinc/14/96/68/450149668.db2.gz KEXLRLVJSMZEKY-FZMZJTMJSA-N 1 0 349.387 1.778 20 5 EDBDRO CC(=O)NC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599704786 450166397 /nfs/dbraw/zinc/16/63/97/450166397.db2.gz TVUNZPHAENLHLU-MRXNPFEDSA-N 1 0 348.403 1.914 20 5 EDBDRO CN1CC[NH+](CC2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)CC1 ZINC000597694000 450201292 /nfs/dbraw/zinc/20/12/92/450201292.db2.gz HXXQIOKBEBDZDE-UHFFFAOYSA-N 1 0 336.367 1.053 20 5 EDBDRO COC(=O)[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000595535484 450214723 /nfs/dbraw/zinc/21/47/23/450214723.db2.gz PSPVDJXIZBEDHN-GFCCVEGCSA-N 1 0 325.340 1.271 20 5 EDBDRO O=C(CC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1)NC1CCCC1 ZINC000610447517 450222081 /nfs/dbraw/zinc/22/20/81/450222081.db2.gz CGDRJIJPJUJSFZ-UHFFFAOYSA-N 1 0 349.435 1.952 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000610771363 450330546 /nfs/dbraw/zinc/33/05/46/450330546.db2.gz NFEIRFSMMLKLSA-AWEZNQCLSA-N 1 0 334.376 1.317 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000603422968 450295063 /nfs/dbraw/zinc/29/50/63/450295063.db2.gz KWZSXHPUTBCVKO-INIZCTEOSA-N 1 0 334.420 1.803 20 5 EDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)C2 ZINC000618920856 450341601 /nfs/dbraw/zinc/34/16/01/450341601.db2.gz CBHQITCZEPLPLA-UHFFFAOYSA-N 1 0 330.388 1.947 20 5 EDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H](CO)[C@H]1CCOC1)OCCO2 ZINC000619506800 450495524 /nfs/dbraw/zinc/49/55/24/450495524.db2.gz LABVRGLXFHLEHN-WCQYABFASA-N 1 0 338.360 1.101 20 5 EDBDRO C[C@H](CNc1c2ccccc2ncc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000488071854 486654835 /nfs/dbraw/zinc/65/48/35/486654835.db2.gz YVFJHLVXGGILGV-CYBMUJFWSA-N 1 0 330.388 1.945 20 5 EDBDRO O=C(NCC12CC(C1)C[NH2+]2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000595950106 490995484 /nfs/dbraw/zinc/99/54/84/490995484.db2.gz JPMNWZSNUBLOEA-UHFFFAOYSA-N 1 0 327.344 1.262 20 5 EDBDRO Cc1c(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000186709051 533817887 /nfs/dbraw/zinc/81/78/87/533817887.db2.gz MWXLYSXISNZAPF-UFBFGSQYSA-N 1 0 336.348 1.848 20 5 EDBDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(=O)n(C)c(=O)n2C)cc1[N+](=O)[O-] ZINC000181817976 534226127 /nfs/dbraw/zinc/22/61/27/534226127.db2.gz AJGBXBCETMREAE-NSHDSACASA-N 1 0 332.360 1.151 20 5 EDBDRO CC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000181811847 526611699 /nfs/dbraw/zinc/61/16/99/526611699.db2.gz MNDPHAFROYSQCX-ZDUSSCGKSA-N 1 0 348.403 1.245 20 5 EDBDRO CCOc1cc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000153343596 528218406 /nfs/dbraw/zinc/21/84/06/528218406.db2.gz POPQLVVQWADXKZ-PHIMTYICSA-N 1 0 337.376 1.825 20 5 EDBDRO CCOc1cc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000153343813 528218939 /nfs/dbraw/zinc/21/89/39/528218939.db2.gz POPQLVVQWADXKZ-QWRGUYRKSA-N 1 0 337.376 1.825 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000163874385 529037544 /nfs/dbraw/zinc/03/75/44/529037544.db2.gz HHRHBLYONRXDJH-UHFFFAOYSA-N 1 0 343.387 1.948 20 5 EDBDRO CCN1CC[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000184403269 529143383 /nfs/dbraw/zinc/14/33/83/529143383.db2.gz ZFDNELDAPWHORA-UHFFFAOYSA-N 1 0 349.435 1.325 20 5 EDBDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000271435794 535902225 /nfs/dbraw/zinc/90/22/25/535902225.db2.gz FLTQUKRXNSVAHH-LBPRGKRZSA-N 1 0 327.406 1.651 20 5 EDBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000261896514 536347401 /nfs/dbraw/zinc/34/74/01/536347401.db2.gz YBMXLPXSKWHXKJ-JTQLQIEISA-N 1 0 328.332 1.981 20 5 EDBDRO COC(=O)C[C@H]1CSCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000266904372 536358066 /nfs/dbraw/zinc/35/80/66/536358066.db2.gz HIXCWGLBZGPGIE-ZDUSSCGKSA-N 1 0 340.401 1.954 20 5 EDBDRO C[NH2+][C@H](C)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000261665067 536399883 /nfs/dbraw/zinc/39/98/83/536399883.db2.gz GGYWSSMJDCAWAQ-IUODEOHRSA-N 1 0 348.403 1.232 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@](C)(CO)C(C)C)cc1[N+](=O)[O-] ZINC000353067497 536477229 /nfs/dbraw/zinc/47/72/29/536477229.db2.gz BTVAODDKTJWCEX-MRXNPFEDSA-N 1 0 340.376 1.643 20 5 EDBDRO COc1cc(CN(C)C[C@H]2C[C@H](OC)C[N@H+]2C)c([N+](=O)[O-])cc1F ZINC000345144554 536748771 /nfs/dbraw/zinc/74/87/71/536748771.db2.gz FXBGXXIABVNZMS-OLZOCXBDSA-N 1 0 341.383 1.893 20 5 EDBDRO CC(C)[C@H](C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000741014678 579393597 /nfs/dbraw/zinc/39/35/97/579393597.db2.gz OZRAUQOFXVJXMJ-OAHLLOKOSA-N 1 0 349.387 1.857 20 5 EDBDRO CC[NH+](CC)[C@@H]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000743395072 579478913 /nfs/dbraw/zinc/47/89/13/579478913.db2.gz QYHVPJQVCZOULM-SNVBAGLBSA-N 1 0 346.229 1.927 20 5 EDBDRO O=[N+]([O-])c1cc(C[NH2+]CCn2cncn2)ccc1N1CCCCC1 ZINC000725848671 578288970 /nfs/dbraw/zinc/28/89/70/578288970.db2.gz BNQVEMKJBRLYRS-UHFFFAOYSA-N 1 0 330.392 1.966 20 5 EDBDRO CC(C)CN(CC[NH+](C)C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000729431285 578574891 /nfs/dbraw/zinc/57/48/91/578574891.db2.gz KUILCGMWLRVGIL-UHFFFAOYSA-N 1 0 347.419 1.991 20 5 EDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000730936548 578664209 /nfs/dbraw/zinc/66/42/09/578664209.db2.gz MJHIXGVCLLHFJW-LBPRGKRZSA-N 1 0 331.376 1.403 20 5 EDBDRO Nc1nc(N2CCC[C@H](OC(=O)c3ccccc3[N+](=O)[O-])C2)cc[nH+]1 ZINC000788067509 578854461 /nfs/dbraw/zinc/85/44/61/578854461.db2.gz FNAGOVMSHMDXQA-NSHDSACASA-N 1 0 343.343 1.793 20 5 EDBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736292063 578974561 /nfs/dbraw/zinc/97/45/61/578974561.db2.gz HXOGKFZTCMWVJL-YPMHNXCESA-N 1 0 343.391 1.838 20 5 EDBDRO Cc1nn(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000746644333 579604667 /nfs/dbraw/zinc/60/46/67/579604667.db2.gz BHVSJGAWKSTNKP-RRFJBIMHSA-N 1 0 337.424 1.549 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749961708 579745626 /nfs/dbraw/zinc/74/56/26/579745626.db2.gz SZEXFAYUSUCQCR-CYBMUJFWSA-N 1 0 332.408 1.879 20 5 EDBDRO COC(=O)C[C@@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CCCOC1 ZINC000770692381 580267957 /nfs/dbraw/zinc/26/79/57/580267957.db2.gz OHOSYLYHDUMIBH-INIZCTEOSA-N 1 0 338.360 1.805 20 5 EDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000771398504 580285870 /nfs/dbraw/zinc/28/58/70/580285870.db2.gz UIVDWTAHPOSKEM-VXGBXAGGSA-N 1 0 331.376 1.496 20 5 EDBDRO COc1ccccc1[C@H](O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279644 580413919 /nfs/dbraw/zinc/41/39/19/580413919.db2.gz YKZOXQUQJVMQKZ-HZPDHXFCSA-N 1 0 332.356 1.960 20 5 EDBDRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000783310062 580598009 /nfs/dbraw/zinc/59/80/09/580598009.db2.gz SVKXAEXYHWAIAR-SECBINFHSA-N 1 0 340.767 1.397 20 5 EDBDRO C[C@@H]1CN(CC[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000789328778 580742203 /nfs/dbraw/zinc/74/22/03/580742203.db2.gz GWYSBQZCNBPZKX-VBQJREDUSA-N 1 0 337.420 1.669 20 5 EDBDRO Cc1c(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)cccc1[N+](=O)[O-] ZINC000790541772 580772575 /nfs/dbraw/zinc/77/25/75/580772575.db2.gz HWQZRJDEAFQVHN-AWEZNQCLSA-N 1 0 329.360 1.532 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794637216 580901182 /nfs/dbraw/zinc/90/11/82/580901182.db2.gz QSWURXPKLOXHDZ-LBPRGKRZSA-N 1 0 334.376 1.876 20 5 EDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000795099098 580913179 /nfs/dbraw/zinc/91/31/79/580913179.db2.gz GIAWNXUFVQXOER-QGZVFWFLSA-N 1 0 343.387 1.499 20 5 EDBDRO CNC(=O)[C@]1(C)CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000797416249 580975128 /nfs/dbraw/zinc/97/51/28/580975128.db2.gz ZCEFDNSMQWUFNB-OAHLLOKOSA-N 1 0 332.364 1.063 20 5 EDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)c3ccc(F)cn3)CC2)n1 ZINC000799324393 581025604 /nfs/dbraw/zinc/02/56/04/581025604.db2.gz QRDGWSOQGCPHOV-AWEZNQCLSA-N 1 0 335.339 1.696 20 5 EDBDRO O=C(OCCC[NH+]1CCCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000800164671 581045871 /nfs/dbraw/zinc/04/58/71/581045871.db2.gz BZUORDSICATDQM-UHFFFAOYSA-N 1 0 345.359 1.818 20 5 EDBDRO CC[NH+](CC)CCNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000892029303 590758027 /nfs/dbraw/zinc/75/80/27/590758027.db2.gz WUEUKWKMMNWVRH-UHFFFAOYSA-N 1 0 345.403 1.911 20 5 EDBDRO Cc1cc(OCC(=O)N[C@@]2(C)C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000892767921 591168796 /nfs/dbraw/zinc/16/87/96/591168796.db2.gz FVVDJLGYRCYMNJ-KRWDZBQOSA-N 1 0 333.388 1.883 20 5 EDBDRO COc1ccc(CC(=O)N[C@@]2(C)C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000892782912 591173863 /nfs/dbraw/zinc/17/38/63/591173863.db2.gz DNPQQQMKUFMCFS-KRWDZBQOSA-N 1 0 333.388 1.746 20 5 EDBDRO O=C(NCC1C[NH2+]C1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161038 591230837 /nfs/dbraw/zinc/23/08/37/591230837.db2.gz HMCPPNDHIBNYCF-UHFFFAOYSA-N 1 0 329.154 1.698 20 5 EDBDRO COc1cc(C(=O)N2CC([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000898615829 591441749 /nfs/dbraw/zinc/44/17/49/591441749.db2.gz BWVAAIPGNZHMKC-UHFFFAOYSA-N 1 0 335.360 1.532 20 5 EDBDRO Cc1cc(N2CC[N@@H+](C)[C@@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000894887672 591458242 /nfs/dbraw/zinc/45/82/42/591458242.db2.gz HZZGQZIOTAEIIV-OAHLLOKOSA-N 1 0 343.387 1.473 20 5 EDBDRO CC(C)Oc1nc(N2CCC(O)(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000894955769 591491281 /nfs/dbraw/zinc/49/12/81/591491281.db2.gz RGXKLJYWSHMBMI-UHFFFAOYSA-N 1 0 338.408 1.670 20 5 EDBDRO C[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000896557868 591521909 /nfs/dbraw/zinc/52/19/09/591521909.db2.gz WJINTLKCOJTYQI-MFKMUULPSA-N 1 0 340.811 1.612 20 5 EDBDRO Cc1nn(CCC(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)c(C)c1[N+](=O)[O-] ZINC000898840656 591559336 /nfs/dbraw/zinc/55/93/36/591559336.db2.gz JLTWGDHDWHJGIQ-KGLIPLIRSA-N 1 0 349.435 1.787 20 5 EDBDRO CCOC(=O)c1ccnc(N2CC[C@H](CC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000895328728 591714876 /nfs/dbraw/zinc/71/48/76/591714876.db2.gz HVHCZWAKDAGLIA-LBPRGKRZSA-N 1 0 336.392 1.945 20 5 EDBDRO O=C1NC[C@H](O)CC12CC[NH+](C/C=C/c1ccccc1[N+](=O)[O-])CC2 ZINC000897040703 591722195 /nfs/dbraw/zinc/72/21/95/591722195.db2.gz IZWUNDAJCGORML-SJDLMVEWSA-N 1 0 345.399 1.571 20 5 EDBDRO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000897219981 591774342 /nfs/dbraw/zinc/77/43/42/591774342.db2.gz QYDUSEOLNIGDCH-UONOGXRCSA-N 1 0 333.388 1.833 20 5 EDBDRO [NH3+][C@]1(CO)CCCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000900376045 592000573 /nfs/dbraw/zinc/00/05/73/592000573.db2.gz TXZXVFDKQAXNQB-GFCCVEGCSA-N 1 0 330.182 1.647 20 5 EDBDRO O=[N+]([O-])c1ccc2cnn(CN3CC[C@H]4[C@H]3CCC[N@H+]4CCO)c2c1 ZINC000902643837 592034502 /nfs/dbraw/zinc/03/45/02/592034502.db2.gz MOSOKGLZRZJHJR-CVEARBPZSA-N 1 0 345.403 1.433 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000902828226 592067374 /nfs/dbraw/zinc/06/73/74/592067374.db2.gz ZVEAZRMPFONLML-GXTWGEPZSA-N 1 0 346.387 1.537 20 5 EDBDRO C[C@@H]1[C@@H](NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)CC[N@@H+]1C ZINC000900666530 592085501 /nfs/dbraw/zinc/08/55/01/592085501.db2.gz NKJYJXDQSUXCNI-WBMJQRKESA-N 1 0 343.387 1.662 20 5 EDBDRO CCO[C@@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000900691591 592096447 /nfs/dbraw/zinc/09/64/47/592096447.db2.gz MRFMYTDTDXIWQK-NSHDSACASA-N 1 0 329.784 1.945 20 5 EDBDRO CN1C[C@H](CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000903213912 592139964 /nfs/dbraw/zinc/13/99/64/592139964.db2.gz QCEPEOJBMPCLDX-HZSPNIEDSA-N 1 0 335.408 1.733 20 5 EDBDRO CCC[C@@H]([NH2+]C[C@@]1(CO)COCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000903285702 592148995 /nfs/dbraw/zinc/14/89/95/592148995.db2.gz RQCWDTMSPOAQNW-IAGOWNOFSA-N 1 0 337.420 1.719 20 5 EDBDRO CO[C@@]1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCS(=O)(=O)C1 ZINC000903367753 592161182 /nfs/dbraw/zinc/16/11/82/592161182.db2.gz KJOLPXXFRRFYDT-SWLSCSKDSA-N 1 0 342.417 1.758 20 5 EDBDRO CC[C@@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000903368714 592161254 /nfs/dbraw/zinc/16/12/54/592161254.db2.gz PUNCAMDCMXNLAZ-CABCVRRESA-N 1 0 342.417 1.839 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c1C ZINC000908026683 592271674 /nfs/dbraw/zinc/27/16/74/592271674.db2.gz ATZGGZJQEXNQRF-AWEZNQCLSA-N 1 0 332.404 1.331 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000906690975 592290928 /nfs/dbraw/zinc/29/09/28/592290928.db2.gz CCRDJPFAEVJJQM-SECBINFHSA-N 1 0 326.784 1.854 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)c1 ZINC000905649160 592596300 /nfs/dbraw/zinc/59/63/00/592596300.db2.gz PEUHSDPQMPENPR-OIISXLGYSA-N 1 0 336.388 1.882 20 5 EDBDRO O=C1CC[C@@H](Nc2cccc(F)c2[N+](=O)[O-])[C@H](C2CC[NH2+]CC2)N1 ZINC000905716103 592622044 /nfs/dbraw/zinc/62/20/44/592622044.db2.gz ZQHZVIIAXRPQGA-DOMZBBRYSA-N 1 0 336.367 1.793 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910294419 592832588 /nfs/dbraw/zinc/83/25/88/592832588.db2.gz FXDWPXZRTHMTSF-LBPRGKRZSA-N 1 0 349.387 1.938 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000911868345 593024529 /nfs/dbraw/zinc/02/45/29/593024529.db2.gz NXYJUBOMSNXWDK-XHDPSFHLSA-N 1 0 332.360 1.298 20 5 EDBDRO [NH3+][C@@H]1C[C@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@H]2C[C@H]21 ZINC000912001158 593047718 /nfs/dbraw/zinc/04/77/18/593047718.db2.gz NMCBPVDMNFMDLC-RFQIPJPRSA-N 1 0 330.388 1.227 20 5 EDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000808160449 593230874 /nfs/dbraw/zinc/23/08/74/593230874.db2.gz MFBQULVWHWCUQB-BPZRLTIMSA-N 1 0 331.372 1.276 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000840152471 593304583 /nfs/dbraw/zinc/30/45/83/593304583.db2.gz NCZBVPJULJSGMZ-JTQLQIEISA-N 1 0 346.229 1.926 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc([N+](=O)[O-])c1F ZINC000813740891 593552473 /nfs/dbraw/zinc/55/24/73/593552473.db2.gz KLPGEEYHFQDKNO-GXFFZTMASA-N 1 0 343.380 1.367 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000817490589 593607711 /nfs/dbraw/zinc/60/77/11/593607711.db2.gz HEDIONIZFFBYLQ-WBMJQRKESA-N 1 0 346.387 1.640 20 5 EDBDRO C[NH+](C)C1CCC(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000817658592 593620811 /nfs/dbraw/zinc/62/08/11/593620811.db2.gz FGLMGHYGWRTIKT-UHFFFAOYSA-N 1 0 349.387 1.775 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)COC1CC[NH2+]CC1 ZINC000817909591 593647624 /nfs/dbraw/zinc/64/76/24/593647624.db2.gz VLABOYYADPKUKG-UHFFFAOYSA-N 1 0 341.795 1.975 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000818559995 593704729 /nfs/dbraw/zinc/70/47/29/593704729.db2.gz YGXMEGFCDNCXAC-FZMZJTMJSA-N 1 0 331.376 1.673 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000818576064 593705295 /nfs/dbraw/zinc/70/52/95/593705295.db2.gz OXISYNUHEXKSGM-BPLDGKMQSA-N 1 0 343.387 1.530 20 5 EDBDRO COC[C@@]1(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CCC[NH2+]1 ZINC000818590234 593706085 /nfs/dbraw/zinc/70/60/85/593706085.db2.gz XMDLVAWHPIUETH-AWEZNQCLSA-N 1 0 327.768 1.747 20 5 EDBDRO Cc1cccc(OCCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000818945071 593729400 /nfs/dbraw/zinc/72/94/00/593729400.db2.gz SVBXTKQZCTZDBH-HNNXBMFYSA-N 1 0 334.376 1.519 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)CNC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000819083796 593737902 /nfs/dbraw/zinc/73/79/02/593737902.db2.gz FXUGBPXRWAUCIP-KDOFPFPSSA-N 1 0 349.431 1.719 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCCCS2(=O)=O)c1 ZINC000819221890 593745177 /nfs/dbraw/zinc/74/51/77/593745177.db2.gz PMRRGHXJUGFXJH-KBPBESRZSA-N 1 0 328.390 1.185 20 5 EDBDRO COCCO[C@@H]1COCC[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819245704 593746385 /nfs/dbraw/zinc/74/63/85/593746385.db2.gz YWWLAMQRCWRWIT-BZUAXINKSA-N 1 0 340.376 1.038 20 5 EDBDRO CC1CC[NH+](CCNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC000820722835 593872432 /nfs/dbraw/zinc/87/24/32/593872432.db2.gz PRVIRDJCZOZYJU-UHFFFAOYSA-N 1 0 331.380 1.919 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000824003154 593905502 /nfs/dbraw/zinc/90/55/02/593905502.db2.gz QNXIAZWZPINRJH-UHFFFAOYSA-N 1 0 325.369 1.267 20 5 EDBDRO COCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821687624 593914669 /nfs/dbraw/zinc/91/46/69/593914669.db2.gz HXDKLJMTYORAIR-UHFFFAOYSA-N 1 0 335.368 1.155 20 5 EDBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000821051668 593953760 /nfs/dbraw/zinc/95/37/60/593953760.db2.gz FQLMKGKAUGFQFL-ULQDDVLXSA-N 1 0 347.415 1.661 20 5 EDBDRO CC[NH+](CC)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821189312 593986182 /nfs/dbraw/zinc/98/61/82/593986182.db2.gz KRAZUWAXHBQWIX-LBPRGKRZSA-N 1 0 345.407 1.943 20 5 EDBDRO O=C(Cc1noc([C@@H]2C[C@H]3C[C@H]3[NH2+]2)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000823116708 594155762 /nfs/dbraw/zinc/15/57/62/594155762.db2.gz YVSLEZMPKCPDHV-RTXFEEFZSA-N 1 0 343.343 1.260 20 5 EDBDRO C[C@@H]1[NH2+]CC[C@H]1c1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000823259047 594177106 /nfs/dbraw/zinc/17/71/06/594177106.db2.gz JRGWAVNFXTUPTH-GXSJLCMTSA-N 1 0 341.331 1.691 20 5 EDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000823620978 594222133 /nfs/dbraw/zinc/22/21/33/594222133.db2.gz UZDLIDZZNJCSGL-MNOVXSKESA-N 1 0 330.352 1.209 20 5 EDBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CCOCC1 ZINC000825849317 594261489 /nfs/dbraw/zinc/26/14/89/594261489.db2.gz JYFBZHVZCFDBEO-UHFFFAOYSA-N 1 0 347.379 1.298 20 5 EDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827367360 594665379 /nfs/dbraw/zinc/66/53/79/594665379.db2.gz UTHLPYUBHAACOI-DOMZBBRYSA-N 1 0 332.404 1.827 20 5 EDBDRO CCc1ccc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000827492494 594677121 /nfs/dbraw/zinc/67/71/21/594677121.db2.gz XZGAJSWXLJJLQF-LBPRGKRZSA-N 1 0 341.433 1.920 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000831735783 594697632 /nfs/dbraw/zinc/69/76/32/594697632.db2.gz VFLBADZMWVWKPB-NEPJUHHUSA-N 1 0 348.359 1.965 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC[C@@H]1[NH3+] ZINC000832737238 594772960 /nfs/dbraw/zinc/77/29/60/594772960.db2.gz PYVGOBRZDZAJSS-DOMZBBRYSA-N 1 0 348.403 1.241 20 5 EDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841200208 594867475 /nfs/dbraw/zinc/86/74/75/594867475.db2.gz LXSQHSXFLROMAM-BDAKNGLRSA-N 1 0 340.767 1.382 20 5 EDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841211180 594868963 /nfs/dbraw/zinc/86/89/63/594868963.db2.gz WFHTVDCWGAMETM-DTWKUNHWSA-N 1 0 340.767 1.396 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000841293961 594882418 /nfs/dbraw/zinc/88/24/18/594882418.db2.gz FBRWYYGOUDZIHA-JTQLQIEISA-N 1 0 338.339 1.239 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000867148186 594892871 /nfs/dbraw/zinc/89/28/71/594892871.db2.gz OLXGYQQJEDIFMC-LLVKDONJSA-N 1 0 345.396 1.805 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000841516018 594913257 /nfs/dbraw/zinc/91/32/57/594913257.db2.gz WAEPNZBYDONBKY-CYBMUJFWSA-N 1 0 341.433 1.974 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCCOCC[NH+](C)C)cc1Cl ZINC000836780773 594997181 /nfs/dbraw/zinc/99/71/81/594997181.db2.gz IRAZEVBKMQJUBH-UHFFFAOYSA-N 1 0 329.784 1.865 20 5 EDBDRO Cc1nc([N+](=O)[O-])c(-c2noc(C[C@H](C)[C@H]3CCC[NH2+]C3)n2)n1C ZINC000843222332 595042140 /nfs/dbraw/zinc/04/21/40/595042140.db2.gz PLWGSZJSOKTITM-ONGXEEELSA-N 1 0 334.380 1.865 20 5 EDBDRO Cc1c(-c2nc(CCC(C)(C)[N+](=O)[O-])no2)nnn1C1CC[NH2+]CC1 ZINC000843234628 595045818 /nfs/dbraw/zinc/04/58/18/595045818.db2.gz WJBNGZIDXATZCT-UHFFFAOYSA-N 1 0 349.395 1.549 20 5 EDBDRO O=[N+]([O-])c1cc(-c2noc([C@]3(F)CC[NH2+]C3)n2)ccc1-n1cncn1 ZINC000843237886 595046485 /nfs/dbraw/zinc/04/64/85/595046485.db2.gz WZUQLNOHMCQYAO-AWEZNQCLSA-N 1 0 345.294 1.384 20 5 EDBDRO C[NH+](C)CC(C)(C)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000837238899 595064062 /nfs/dbraw/zinc/06/40/62/595064062.db2.gz CQQJNCZMYHQNGH-UHFFFAOYSA-N 1 0 338.364 1.892 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000843356368 595086346 /nfs/dbraw/zinc/08/63/46/595086346.db2.gz VPTCAEIUPXNQBS-ZANVPECISA-N 1 0 342.783 1.235 20 5 EDBDRO CCCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC[NH2+]CC1 ZINC000834325217 595094198 /nfs/dbraw/zinc/09/41/98/595094198.db2.gz GBCRQTZNSQXXGN-UHFFFAOYSA-N 1 0 345.403 1.935 20 5 EDBDRO CC(C)C[N@H+](C)CCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000845958050 595105503 /nfs/dbraw/zinc/10/55/03/595105503.db2.gz ZSQDCGHAZSLWCY-UHFFFAOYSA-N 1 0 347.412 1.990 20 5 EDBDRO Cc1cc(S(=O)(=O)NC2(C)CC[NH2+]CC2)cc([N+](=O)[O-])c1F ZINC000842481394 595117518 /nfs/dbraw/zinc/11/75/18/595117518.db2.gz HJNIDJAFIXZUGK-UHFFFAOYSA-N 1 0 331.369 1.463 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000842481707 595117563 /nfs/dbraw/zinc/11/75/63/595117563.db2.gz NKOFAEASYPQVFD-SNVBAGLBSA-N 1 0 347.824 1.977 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCO1 ZINC000843462162 595119093 /nfs/dbraw/zinc/11/90/93/595119093.db2.gz YOZAAKPLXOCRNM-VIFPVBQESA-N 1 0 331.731 1.116 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000843485255 595125841 /nfs/dbraw/zinc/12/58/41/595125841.db2.gz UHXSADWYCAUJQY-LLVKDONJSA-N 1 0 333.266 1.226 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000843487137 595126767 /nfs/dbraw/zinc/12/67/67/595126767.db2.gz ZUDUCPLRVWBCRH-CYBMUJFWSA-N 1 0 336.348 1.929 20 5 EDBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000842683957 595169686 /nfs/dbraw/zinc/16/96/86/595169686.db2.gz ULQXDYLIZJRQES-VIFPVBQESA-N 1 0 333.797 1.539 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC[C@@H]1[NH3+] ZINC000842798331 595202957 /nfs/dbraw/zinc/20/29/57/595202957.db2.gz PZSNFZOJCDBQKH-PWSUYJOCSA-N 1 0 343.405 1.351 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)cc([N+](=O)[O-])c1F ZINC000842849164 595215149 /nfs/dbraw/zinc/21/51/49/595215149.db2.gz WXLSOHYAFLEWSY-ZDUSSCGKSA-N 1 0 331.369 1.402 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)cc([N+](=O)[O-])c1F ZINC000842869121 595220133 /nfs/dbraw/zinc/22/01/33/595220133.db2.gz GLQWJRZNYBOOAN-GFCCVEGCSA-N 1 0 331.369 1.400 20 5 EDBDRO Nc1ccc(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000834853616 595231527 /nfs/dbraw/zinc/23/15/27/595231527.db2.gz KHVGTSMSXKTGQT-GFCCVEGCSA-N 1 0 334.376 1.005 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843053833 595275771 /nfs/dbraw/zinc/27/57/71/595275771.db2.gz UBQJKXOAUVXYIE-UHFFFAOYSA-N 1 0 336.392 1.731 20 5 EDBDRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843103568 595287778 /nfs/dbraw/zinc/28/77/78/595287778.db2.gz BKQCQWYGCHEGCJ-VHDGCEQUSA-N 1 0 326.393 1.376 20 5 EDBDRO NC(=O)C[C@H]1CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848487118 595393097 /nfs/dbraw/zinc/39/30/97/595393097.db2.gz PWNIQOHGFCMYRE-GFCCVEGCSA-N 1 0 329.360 1.613 20 5 EDBDRO C[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848676339 595426448 /nfs/dbraw/zinc/42/64/48/595426448.db2.gz LDGFESNNBMTHJS-VWPFQQQWSA-N 1 0 337.420 1.716 20 5 EDBDRO COC(=O)N(C)CC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000850551494 595534213 /nfs/dbraw/zinc/53/42/13/595534213.db2.gz VQEFMYYXXADBBM-LLVKDONJSA-N 1 0 338.364 1.600 20 5 EDBDRO CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000850554257 595534901 /nfs/dbraw/zinc/53/49/01/595534901.db2.gz BVJGMGKTJKKDLQ-JTQLQIEISA-N 1 0 327.406 1.795 20 5 EDBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)CCCO2 ZINC000852782798 595541092 /nfs/dbraw/zinc/54/10/92/595541092.db2.gz TXDUDVGKPPGNLN-LRDDRELGSA-N 1 0 346.387 1.828 20 5 EDBDRO Cn1nccc1C([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000860078480 595567905 /nfs/dbraw/zinc/56/79/05/595567905.db2.gz KROQBSMGNGUKIL-UHFFFAOYSA-N 1 0 340.387 1.984 20 5 EDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857767341 595600641 /nfs/dbraw/zinc/60/06/41/595600641.db2.gz AYCLAZPZRMFULD-UWVGGRQHSA-N 1 0 329.303 1.905 20 5 EDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857767344 595600764 /nfs/dbraw/zinc/60/07/64/595600764.db2.gz AYQYVKFPOPWGRO-IUCAKERBSA-N 1 0 333.266 1.383 20 5 EDBDRO Cc1nn(CN2CCO[C@@H](CCC[NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000853624671 595837536 /nfs/dbraw/zinc/83/75/36/595837536.db2.gz PXBVRYSBUYIGEM-AWEZNQCLSA-N 1 0 325.413 1.408 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc([N+](=O)[O-])c1F ZINC000858631435 595850427 /nfs/dbraw/zinc/85/04/27/595850427.db2.gz DCCWMBJVANAFIG-VHSXEESVSA-N 1 0 331.369 1.461 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2C)c1 ZINC000858643061 595853974 /nfs/dbraw/zinc/85/39/74/595853974.db2.gz VUMHQSUKTQYINS-DTWKUNHWSA-N 1 0 333.797 1.585 20 5 EDBDRO COc1cc(NC[C@H](O)C[NH+]2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000853694987 595857254 /nfs/dbraw/zinc/85/72/54/595857254.db2.gz XIPRFJVLQVTXCJ-LBPRGKRZSA-N 1 0 339.392 1.871 20 5 EDBDRO COc1ccc(C(=O)OC[C@@]2(C)C[C@H](OC)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC000861339562 595947357 /nfs/dbraw/zinc/94/73/57/595947357.db2.gz VUJPSSSBWFMJGH-BLLLJJGKSA-N 1 0 338.360 1.869 20 5 EDBDRO CC(C)([NH2+]C[C@@](O)(C(N)=O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000852079195 596036135 /nfs/dbraw/zinc/03/61/35/596036135.db2.gz YSQLCMMXGFEAQN-SFHVURJKSA-N 1 0 343.383 1.793 20 5 EDBDRO [NH3+][C@]12CCC[C@@H]1CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000857086022 596154536 /nfs/dbraw/zinc/15/45/36/596154536.db2.gz ILLMRBKGZHFUTD-BMIGLBTASA-N 1 0 338.795 2.000 20 5 EDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000120044473 596238959 /nfs/dbraw/zinc/23/89/59/596238959.db2.gz DHPNPIAAVPRFIO-ZYHUDNBSSA-N 1 0 345.446 1.761 20 5 EDBDRO O=C(CN1CCC[C@H]2[NH2+]CC[C@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000866724660 596311174 /nfs/dbraw/zinc/31/11/74/596311174.db2.gz NAPMPYBEHOMYTA-HUUCEWRRSA-N 1 0 330.388 1.310 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC000866831345 596370679 /nfs/dbraw/zinc/37/06/79/596370679.db2.gz JNDQZICQPOMTHM-UONOGXRCSA-N 1 0 325.390 1.251 20 5 EDBDRO CN(CC1CC[NH+](C)CC1)C(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000870881601 596388101 /nfs/dbraw/zinc/38/81/01/596388101.db2.gz CAFNMUJNJRCOEF-KRWDZBQOSA-N 1 0 334.420 1.569 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c([N+](=O)[O-])s1 ZINC000867811437 596563489 /nfs/dbraw/zinc/56/34/89/596563489.db2.gz PQFHGRUKXQRORP-WDEREUQCSA-N 1 0 345.446 1.679 20 5 EDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000869779641 596631236 /nfs/dbraw/zinc/63/12/36/596631236.db2.gz BTKUQYMQZZCXKH-NSHDSACASA-N 1 0 325.340 1.309 20 5 EDBDRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119716973 596714913 /nfs/dbraw/zinc/71/49/13/596714913.db2.gz QHICEBFWDXJRKP-UHFFFAOYSA-N 1 0 333.435 1.619 20 5 EDBDRO C[NH2+]C1(CNC(=O)c2cc([N+](=O)[O-])ncc2Br)CCC1 ZINC000863922125 596717057 /nfs/dbraw/zinc/71/70/57/596717057.db2.gz MXPSJTMKRAOGEW-UHFFFAOYSA-N 1 0 343.181 1.624 20 5 EDBDRO C[NH+](C)CCC[C@@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)CCO1 ZINC000865954599 596736883 /nfs/dbraw/zinc/73/68/83/596736883.db2.gz DXTDZLUHWPVZBD-CYBMUJFWSA-N 1 0 341.383 1.773 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872149434 596812871 /nfs/dbraw/zinc/81/28/71/596812871.db2.gz NNINZKUDQRHNBG-MEDUHNTESA-N 1 0 334.376 1.083 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000874470690 597095542 /nfs/dbraw/zinc/09/55/42/597095542.db2.gz OENYDKDBLSUGAW-UHFFFAOYSA-N 1 0 348.447 1.969 20 5 EDBDRO O=C(C1CCCC1)N1CC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877090285 597429902 /nfs/dbraw/zinc/42/99/02/597429902.db2.gz SVPBCMBVXPCGMI-WLYUNCDWSA-N 1 0 347.419 1.876 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000877367759 597502828 /nfs/dbraw/zinc/50/28/28/597502828.db2.gz NMCUWEWVPABXNY-XVKPBYJWSA-N 1 0 335.257 1.943 20 5 EDBDRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877623478 597542423 /nfs/dbraw/zinc/54/24/23/597542423.db2.gz QTFZQRRYCJPNNA-MJKJBFQXSA-N 1 0 326.422 1.774 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000878022016 597569975 /nfs/dbraw/zinc/56/99/75/597569975.db2.gz VEYVNANGIYZEJG-GFCCVEGCSA-N 1 0 349.387 1.970 20 5 EDBDRO Nc1ccc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000882988036 597608165 /nfs/dbraw/zinc/60/81/65/597608165.db2.gz XENZHVJDGQIGDP-HNNXBMFYSA-N 1 0 349.435 1.386 20 5 EDBDRO COc1cccc([C@H]2CN(Cc3cn(C)nc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC000879522156 597615947 /nfs/dbraw/zinc/61/59/47/597615947.db2.gz GGYYANHKISWYML-OAHLLOKOSA-N 1 0 331.376 1.483 20 5 EDBDRO COc1cccc([C@H]2CN(CCn3cc([N+](=O)[O-])cn3)CC[NH2+]2)c1 ZINC000879523908 597617372 /nfs/dbraw/zinc/61/73/72/597617372.db2.gz HHWFQACAPXHRAK-MRXNPFEDSA-N 1 0 331.376 1.446 20 5 EDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881470112 597629683 /nfs/dbraw/zinc/62/96/83/597629683.db2.gz RYTNIWXHKOQTMQ-CQSZACIVSA-N 1 0 333.388 1.968 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879567032 597634455 /nfs/dbraw/zinc/63/44/55/597634455.db2.gz LIDOFMYRPSHGNY-KMFMINBZSA-N 1 0 335.404 1.361 20 5 EDBDRO CN(C(=O)CN1CC[C@H]2[C@H](CC[N@@H+]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000879574542 597638159 /nfs/dbraw/zinc/63/81/59/597638159.db2.gz BEYQTNSSZBCFCJ-CJNGLKHVSA-N 1 0 332.404 1.584 20 5 EDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000878779383 597708482 /nfs/dbraw/zinc/70/84/82/597708482.db2.gz AMZWVICZMDMSIU-GFCCVEGCSA-N 1 0 349.387 1.828 20 5 EDBDRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000879991345 597799937 /nfs/dbraw/zinc/79/99/37/597799937.db2.gz WKLGUASICSQWOX-CQSZACIVSA-N 1 0 343.383 1.935 20 5 EDBDRO CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000879335649 597890857 /nfs/dbraw/zinc/89/08/57/597890857.db2.gz UVYLMEGWJHNOBP-AWEZNQCLSA-N 1 0 336.392 1.757 20 5 EDBDRO COC(=O)C(C)(C)C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(C)C ZINC000880382728 597918880 /nfs/dbraw/zinc/91/88/80/597918880.db2.gz KIUZVHWMOXJSMO-UHFFFAOYSA-N 1 0 326.397 1.949 20 5 EDBDRO CO[C@@H]1COCC[C@@H]1[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000880431846 597932336 /nfs/dbraw/zinc/93/23/36/597932336.db2.gz HLXPAPDWNFUMMQ-DVOMOZLQSA-N 1 0 340.376 1.070 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCCO2)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000884293341 598057363 /nfs/dbraw/zinc/05/73/63/598057363.db2.gz AOSALJMCGLXMKW-AAEUAGOBSA-N 1 0 347.371 1.580 20 5 EDBDRO CC[N@@H+]1CC[C@@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000882959421 598116584 /nfs/dbraw/zinc/11/65/84/598116584.db2.gz FNRTYZMJNBDLLQ-OAHLLOKOSA-N 1 0 334.420 1.933 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000738358924 599519579 /nfs/dbraw/zinc/51/95/79/599519579.db2.gz FDSWFVZUEMSTSM-OAHLLOKOSA-N 1 0 340.343 1.598 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000918581336 697184066 /nfs/dbraw/zinc/18/40/66/697184066.db2.gz NFOHPDUPBAGQOL-HUUCEWRRSA-N 1 0 343.387 1.688 20 5 EDBDRO CC(C)(C(N)=O)C(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000996687628 702984855 /nfs/dbraw/zinc/98/48/55/702984855.db2.gz QAZIUARGXMAILV-UHFFFAOYSA-N 1 0 348.403 1.187 20 5 EDBDRO O=C(c1cnon1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997101439 703345674 /nfs/dbraw/zinc/34/56/74/703345674.db2.gz FBYFDNBHLSTIGZ-UHFFFAOYSA-N 1 0 331.332 1.372 20 5 EDBDRO O=C(c1ncccn1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997106110 703350829 /nfs/dbraw/zinc/35/08/29/703350829.db2.gz BPCUNLHTBXJAHF-UHFFFAOYSA-N 1 0 341.371 1.779 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccccc2F)CC1 ZINC000997770439 704669954 /nfs/dbraw/zinc/66/99/54/704669954.db2.gz WNHOKNXIELYFHT-GDBMZVCRSA-N 1 0 335.379 1.819 20 5 EDBDRO Cc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)n1 ZINC000997769044 704672338 /nfs/dbraw/zinc/67/23/38/704672338.db2.gz MQBMYHVLBBIGAG-IAGOWNOFSA-N 1 0 346.431 1.692 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CC[C@H](NC(=O)C2CC=CC2)CC1 ZINC001034611891 710286493 /nfs/dbraw/zinc/28/64/93/710286493.db2.gz DAEJBZJDAVOQJS-HDJSIYSDSA-N 1 0 347.419 1.812 20 5 EDBDRO CC(C)n1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001034644658 710320839 /nfs/dbraw/zinc/32/08/39/710320839.db2.gz KHJYOUCSVCBPRS-RRCSTGOVSA-N 1 0 349.435 1.646 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000174524216 231230455 /nfs/dbraw/zinc/23/04/55/231230455.db2.gz WHJNEZQTWPWCND-ZDUSSCGKSA-N 1 0 335.408 1.585 20 5 EDBDRO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000174723300 529468365 /nfs/dbraw/zinc/46/83/65/529468365.db2.gz JZVJELKNNRGUSQ-GFCCVEGCSA-N 1 0 335.408 1.875 20 5 EDBDRO C[C@@H](C(=O)N[C@@H](C)CN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000558690655 306244252 /nfs/dbraw/zinc/24/42/52/306244252.db2.gz ZXDAUBKLTWDYNI-UONOGXRCSA-N 1 0 334.420 1.450 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000378538628 282224449 /nfs/dbraw/zinc/22/44/49/282224449.db2.gz MNXYMCIVNLINLE-ZLDLUXBVSA-N 1 0 348.403 1.501 20 5 EDBDRO C[N@H+](CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000187004488 529917000 /nfs/dbraw/zinc/91/70/00/529917000.db2.gz NQDYHUSNNUUALT-UHFFFAOYSA-N 1 0 330.344 1.557 20 5 EDBDRO C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCCC[C@H]1C ZINC000559683247 306257624 /nfs/dbraw/zinc/25/76/24/306257624.db2.gz UMWCXGVYQNRZLO-IPYPFGDCSA-N 1 0 325.413 1.005 20 5 EDBDRO COC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000066835950 215084629 /nfs/dbraw/zinc/08/46/29/215084629.db2.gz MIYCKLHSHAZCMV-LBPRGKRZSA-N 1 0 335.360 1.808 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N(C)CC[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000103120396 219256626 /nfs/dbraw/zinc/25/66/26/219256626.db2.gz FTWIBYOEZJRYOX-UHFFFAOYSA-N 1 0 349.387 1.939 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000183386030 235041196 /nfs/dbraw/zinc/04/11/96/235041196.db2.gz YZNMGHWXOHNMHK-KRWDZBQOSA-N 1 0 346.431 1.642 20 5 EDBDRO COC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000183425188 235066176 /nfs/dbraw/zinc/06/61/76/235066176.db2.gz YILLISHJVLLPFD-AWEZNQCLSA-N 1 0 337.376 1.947 20 5 EDBDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000266177959 291060613 /nfs/dbraw/zinc/06/06/13/291060613.db2.gz KQTCABSECBAXKO-QWRGUYRKSA-N 1 0 345.396 1.837 20 5 EDBDRO O=C(NC1CC1)[C@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000054986620 138145518 /nfs/dbraw/zinc/14/55/18/138145518.db2.gz IMOQSPYTRCWAAB-GDBMZVCRSA-N 1 0 349.387 1.078 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000075609345 138243536 /nfs/dbraw/zinc/24/35/36/138243536.db2.gz LDUVIBPEHZYDAX-GFCCVEGCSA-N 1 0 346.391 1.636 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081293470 138266178 /nfs/dbraw/zinc/26/61/78/138266178.db2.gz KBVSSNMMOAYMPR-HNNXBMFYSA-N 1 0 349.435 1.871 20 5 EDBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090591636 138279874 /nfs/dbraw/zinc/27/98/74/138279874.db2.gz VGDNXMFZFAQLSC-AWEZNQCLSA-N 1 0 345.403 1.445 20 5 EDBDRO COc1ccnc(Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)c1 ZINC000132823400 138383679 /nfs/dbraw/zinc/38/36/79/138383679.db2.gz KSFUTGWWRLGADM-UHFFFAOYSA-N 1 0 340.133 1.971 20 5 EDBDRO [NH2+]=C(NO)[C@@H]1CCCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000372307756 283263061 /nfs/dbraw/zinc/26/30/61/283263061.db2.gz GJTAFHGVQOVKRE-AWEZNQCLSA-N 1 0 347.375 1.294 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000106366121 219632274 /nfs/dbraw/zinc/63/22/74/219632274.db2.gz UFEPWYHGUVQQNB-GFCCVEGCSA-N 1 0 327.406 1.571 20 5 EDBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000161520046 138643599 /nfs/dbraw/zinc/64/35/99/138643599.db2.gz BNBQNBJKCGURRJ-CYBMUJFWSA-N 1 0 336.396 1.061 20 5 EDBDRO COc1ccc(CSCC(=O)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000178719403 138744977 /nfs/dbraw/zinc/74/49/77/138744977.db2.gz VCYSKADZQGTRSO-LBPRGKRZSA-N 1 0 339.417 1.705 20 5 EDBDRO COC(=O)[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000413910539 304088197 /nfs/dbraw/zinc/08/81/97/304088197.db2.gz XRHKUOFTQBZSDF-CQSZACIVSA-N 1 0 349.387 1.091 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCn3ccnc3C2)c1 ZINC000564870790 306368029 /nfs/dbraw/zinc/36/80/29/306368029.db2.gz ATLBORUBSPMURN-GXTWGEPZSA-N 1 0 332.360 1.136 20 5 EDBDRO C[NH2+]CCN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000120459600 283525048 /nfs/dbraw/zinc/52/50/48/283525048.db2.gz LQQOPJBVQLEFJW-OAHLLOKOSA-N 1 0 348.403 1.186 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@H]21 ZINC000368612472 283587011 /nfs/dbraw/zinc/58/70/11/283587011.db2.gz KQOZXYFPXVOVTC-CUOATXAZSA-N 1 0 334.332 1.702 20 5 EDBDRO C[C@@H](O)[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000130116364 223123817 /nfs/dbraw/zinc/12/38/17/223123817.db2.gz DMLZCKONRCRRPZ-GHMZBOCLSA-N 1 0 325.340 1.765 20 5 EDBDRO O=C(CC[NH2+]C[C@]1(CCO)CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000565421601 306383754 /nfs/dbraw/zinc/38/37/54/306383754.db2.gz FZLANWCVNJSXSA-INIZCTEOSA-N 1 0 337.376 1.302 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000192028858 138933327 /nfs/dbraw/zinc/93/33/27/138933327.db2.gz HOQGDAWCTZOWMM-ZDUSSCGKSA-N 1 0 327.406 1.699 20 5 EDBDRO C[NH+]1CCN([C@@H]2CCCCN(c3ncc([N+](=O)[O-])s3)C2)CC1 ZINC000192505335 138945688 /nfs/dbraw/zinc/94/56/88/138945688.db2.gz DOGFYDLNGAKQQX-GFCCVEGCSA-N 1 0 325.438 1.658 20 5 EDBDRO Cc1c(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cccc1[N+](=O)[O-] ZINC000193668513 291495426 /nfs/dbraw/zinc/49/54/26/291495426.db2.gz IMOPMAQZDVGAFC-ZDUSSCGKSA-N 1 0 348.403 1.363 20 5 EDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000236609426 139026858 /nfs/dbraw/zinc/02/68/58/139026858.db2.gz RJEAWJVDDNIXNK-VIFPVBQESA-N 1 0 328.166 1.839 20 5 EDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000236895016 139034343 /nfs/dbraw/zinc/03/43/43/139034343.db2.gz AZGHCAHBTHAFCM-LBPRGKRZSA-N 1 0 346.391 1.731 20 5 EDBDRO CC[NH+](CC)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000079028552 217177692 /nfs/dbraw/zinc/17/76/92/217177692.db2.gz SWAYITMRZPCXDA-UHFFFAOYSA-N 1 0 345.421 1.614 20 5 EDBDRO C[NH2+]C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000237103557 139040778 /nfs/dbraw/zinc/04/07/78/139040778.db2.gz PIDXMBNNGYHHEP-UHFFFAOYSA-N 1 0 333.797 1.621 20 5 EDBDRO COc1ccc(CSCC(=O)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000237216284 139044706 /nfs/dbraw/zinc/04/47/06/139044706.db2.gz ICKWFOZEDPOMMR-LBPRGKRZSA-N 1 0 339.417 1.705 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000237318061 139047781 /nfs/dbraw/zinc/04/77/81/139047781.db2.gz QXSYMDJUKUWYET-GFCCVEGCSA-N 1 0 327.406 1.523 20 5 EDBDRO COc1cc(OCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000237375630 139049602 /nfs/dbraw/zinc/04/96/02/139049602.db2.gz CWUIGGKAHHNMFQ-FUNVUKJBSA-N 1 0 349.387 1.724 20 5 EDBDRO COc1ccc(NC(=O)CC[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c([N+](=O)[O-])c1 ZINC000111318299 220138847 /nfs/dbraw/zinc/13/88/47/220138847.db2.gz PBSAXPDTGMICBA-FUNVUKJBSA-N 1 0 349.387 1.920 20 5 EDBDRO C[C@H](C[NH3+])N(C)C(=O)CCCn1c2ccc([N+](=O)[O-])cc2oc1=O ZINC000237599474 139055259 /nfs/dbraw/zinc/05/52/59/139055259.db2.gz NUMMZBWNNGCHJS-SNVBAGLBSA-N 1 0 336.348 1.089 20 5 EDBDRO C[C@](C[NH3+])(NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000237610990 139055705 /nfs/dbraw/zinc/05/57/05/139055705.db2.gz ALJIJTJFWNNULW-MRXNPFEDSA-N 1 0 330.344 1.294 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000237620807 139055985 /nfs/dbraw/zinc/05/59/85/139055985.db2.gz FKJODOQFEGPHQK-SMDDNHRTSA-N 1 0 334.376 1.053 20 5 EDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCOCC2)CC1 ZINC000081031279 217352777 /nfs/dbraw/zinc/35/27/77/217352777.db2.gz DSRORJDKRDEONP-AATRIKPKSA-N 1 0 345.399 1.931 20 5 EDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000081033857 217353170 /nfs/dbraw/zinc/35/31/70/217353170.db2.gz UWSXVSRWJRCYRI-ZZXKWVIFSA-N 1 0 345.399 1.931 20 5 EDBDRO [NH3+]C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000237933216 139064140 /nfs/dbraw/zinc/06/41/40/139064140.db2.gz OYZDENLEJLBQDJ-HNNXBMFYSA-N 1 0 341.433 1.922 20 5 EDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000246663527 139116923 /nfs/dbraw/zinc/11/69/23/139116923.db2.gz LTRGFXOPGJLJPC-KBPBESRZSA-N 1 0 333.388 1.916 20 5 EDBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC[N@@H+]1C[C@H](C)O ZINC000246802078 139122191 /nfs/dbraw/zinc/12/21/91/139122191.db2.gz KDIBOIULCAOUQD-KBPBESRZSA-N 1 0 335.404 1.820 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000415323441 304194485 /nfs/dbraw/zinc/19/44/85/304194485.db2.gz CSBSZPIDFKCBRT-NSHDSACASA-N 1 0 334.376 1.212 20 5 EDBDRO CCCN(C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000415390094 304211865 /nfs/dbraw/zinc/21/18/65/304211865.db2.gz GOTLUYXZHYCFCO-GFCCVEGCSA-N 1 0 338.339 1.273 20 5 EDBDRO CCCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1CC)[C@H]1CC[NH2+]C1 ZINC000415392040 304212453 /nfs/dbraw/zinc/21/24/53/304212453.db2.gz NCALWCYKBUDFGU-AWEZNQCLSA-N 1 0 348.403 1.696 20 5 EDBDRO CC[NH+](CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000012141037 211303577 /nfs/dbraw/zinc/30/35/77/211303577.db2.gz HQFSMFGNJKDQBP-UHFFFAOYSA-N 1 0 329.422 1.832 20 5 EDBDRO COCC[N@H+](CCO)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093005527 218185113 /nfs/dbraw/zinc/18/51/13/218185113.db2.gz ZZZXSRLOMSOQSF-UHFFFAOYSA-N 1 0 334.376 1.436 20 5 EDBDRO CC(C)C[C@@H](CO)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249431737 139193319 /nfs/dbraw/zinc/19/33/19/139193319.db2.gz JWEOIZMQAVHFCU-LSDHHAIUSA-N 1 0 326.393 1.673 20 5 EDBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093898685 218256836 /nfs/dbraw/zinc/25/68/36/218256836.db2.gz FYGGWXMONDRHNW-GFCCVEGCSA-N 1 0 345.403 1.809 20 5 EDBDRO O=C(CC[C@@H]1CC[NH2+]C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000261677856 139216665 /nfs/dbraw/zinc/21/66/65/139216665.db2.gz MKQZXSURDCHJMI-CQSZACIVSA-N 1 0 332.404 1.633 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000261665418 139215674 /nfs/dbraw/zinc/21/56/74/139215674.db2.gz IRMBACAABOZVOL-UHFFFAOYSA-N 1 0 325.390 1.359 20 5 EDBDRO CCOc1cc(C(=O)N2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000261740447 139222212 /nfs/dbraw/zinc/22/22/12/139222212.db2.gz DIHDCCWDKLOIQL-MRXNPFEDSA-N 1 0 337.376 1.813 20 5 EDBDRO COC(=O)COc1ccc(CN2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000261795952 139226728 /nfs/dbraw/zinc/22/67/28/139226728.db2.gz GNUMERHJTQSZEQ-DGCLKSJQSA-N 1 0 337.376 1.316 20 5 EDBDRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000261954792 139239855 /nfs/dbraw/zinc/23/98/55/139239855.db2.gz NVLSUDVTCJSCEL-LBPRGKRZSA-N 1 0 327.406 1.485 20 5 EDBDRO C[C@@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000261938645 139238600 /nfs/dbraw/zinc/23/86/00/139238600.db2.gz KUUTTYXKGIBBCN-RISCZKNCSA-N 1 0 327.406 1.484 20 5 EDBDRO [NH3+][C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000261939363 139238602 /nfs/dbraw/zinc/23/86/02/139238602.db2.gz MXELATYJOBODRS-JTQLQIEISA-N 1 0 328.166 1.824 20 5 EDBDRO C[C@@H](CO)[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000276487615 183815765 /nfs/dbraw/zinc/81/57/65/183815765.db2.gz UMQUIAGYBPZUSQ-XJKSGUPXSA-N 1 0 338.404 1.960 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415505339 304225583 /nfs/dbraw/zinc/22/55/83/304225583.db2.gz YNHQCFXSZJRQRC-JTQLQIEISA-N 1 0 340.767 1.397 20 5 EDBDRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000415549847 251004384 /nfs/dbraw/zinc/00/43/84/251004384.db2.gz LFSXPPBZRBWGNI-UHFFFAOYSA-N 1 0 348.403 1.690 20 5 EDBDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000262275012 139265739 /nfs/dbraw/zinc/26/57/39/139265739.db2.gz TVCUFELUFMWSIB-HDMKZQKVSA-N 1 0 347.415 1.786 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000417173035 251144450 /nfs/dbraw/zinc/14/44/50/251144450.db2.gz GQXNAUQHYUFFRD-WCQYABFASA-N 1 0 336.392 1.730 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000262448555 139279844 /nfs/dbraw/zinc/27/98/44/139279844.db2.gz HNJFVCFRPMSOJN-DGCLKSJQSA-N 1 0 325.390 1.276 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000415580621 304231657 /nfs/dbraw/zinc/23/16/57/304231657.db2.gz MBTYINKBIIBWPR-KRWDZBQOSA-N 1 0 348.403 1.656 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000419175191 251494872 /nfs/dbraw/zinc/49/48/72/251494872.db2.gz XOTDPXFNBMBTLU-HIFRSBDPSA-N 1 0 348.403 1.420 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@](C)(C[NH3+])C2CC2)cc1OC ZINC000569567867 306510922 /nfs/dbraw/zinc/51/09/22/306510922.db2.gz MPJGDVRITIOWMN-MRXNPFEDSA-N 1 0 337.376 1.859 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000422871042 252005906 /nfs/dbraw/zinc/00/59/06/252005906.db2.gz ZPNRLSTZVKWLBS-HZMBPMFUSA-N 1 0 335.360 1.629 20 5 EDBDRO CC[NH2+]CC1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1 ZINC000422891022 252013560 /nfs/dbraw/zinc/01/35/60/252013560.db2.gz UKPYDCZJXIDCCH-UHFFFAOYSA-N 1 0 349.387 1.843 20 5 EDBDRO COc1cc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc([N+](=O)[O-])c1C ZINC000423644323 252063236 /nfs/dbraw/zinc/06/32/36/252063236.db2.gz JQEPGYPDTNDFAY-AWEZNQCLSA-N 1 0 348.403 1.032 20 5 EDBDRO O=C1[C@@H](N2CCC3(CC[NH2+]3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000422632710 284973067 /nfs/dbraw/zinc/97/30/67/284973067.db2.gz HHOATRHVIVSSPP-HNNXBMFYSA-N 1 0 330.388 1.528 20 5 EDBDRO CN(C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)[C@@H]1CCC[N@H+](C)C1 ZINC000153596215 224127747 /nfs/dbraw/zinc/12/77/47/224127747.db2.gz RFNFYNZJEYWEOK-GFCCVEGCSA-N 1 0 348.359 1.055 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000153609898 224129549 /nfs/dbraw/zinc/12/95/49/224129549.db2.gz XHLIWDBCTCMRLO-AWEZNQCLSA-N 1 0 327.406 1.451 20 5 EDBDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000112549356 220346953 /nfs/dbraw/zinc/34/69/53/220346953.db2.gz QXFMAIPIFPVCRB-GWCFXTLKSA-N 1 0 344.375 1.426 20 5 EDBDRO C[NH+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000263709114 139354502 /nfs/dbraw/zinc/35/45/02/139354502.db2.gz MWQFHIWVFMKWNN-UHFFFAOYSA-N 1 0 343.387 1.353 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)[NH2+]1 ZINC000153801284 224160605 /nfs/dbraw/zinc/16/06/05/224160605.db2.gz VHLJXIWVERCXML-TXEJJXNPSA-N 1 0 329.360 1.603 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491508309 255127269 /nfs/dbraw/zinc/12/72/69/255127269.db2.gz WYWQUWZVHSVHAC-XITLMJRVSA-N 1 0 333.388 1.835 20 5 EDBDRO COC(=O)[C@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000493329487 255204399 /nfs/dbraw/zinc/20/43/99/255204399.db2.gz YCPJEQMTEQYURD-WBTMPAOCSA-N 1 0 347.371 1.171 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000493350470 255206023 /nfs/dbraw/zinc/20/60/23/255206023.db2.gz JHLDYSGPYHNBGX-FOSCPCJNSA-N 1 0 345.399 1.822 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264182729 139385142 /nfs/dbraw/zinc/38/51/42/139385142.db2.gz MWZJCRPFFVBROD-UHFFFAOYSA-N 1 0 334.376 1.726 20 5 EDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCC1([NH+]2CCCC2)CCOCC1 ZINC000264216675 139387645 /nfs/dbraw/zinc/38/76/45/139387645.db2.gz VELWULUBVHPNBJ-UHFFFAOYSA-N 1 0 347.415 1.899 20 5 EDBDRO Cc1c(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000269278938 139908072 /nfs/dbraw/zinc/90/80/72/139908072.db2.gz PVVZXTRODVEEEU-QMTHXVAHSA-N 1 0 344.375 1.293 20 5 EDBDRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000271084833 140233563 /nfs/dbraw/zinc/23/35/63/140233563.db2.gz GXXWTMYCXPNKEB-ZDUSSCGKSA-N 1 0 336.392 1.091 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000271340566 140281205 /nfs/dbraw/zinc/28/12/05/140281205.db2.gz UAKYULFAHWRVFB-WCBMZHEXSA-N 1 0 347.400 1.955 20 5 EDBDRO CC(=O)N1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000331345478 141009637 /nfs/dbraw/zinc/00/96/37/141009637.db2.gz LQGQRCHRDKKAGU-UHFFFAOYSA-N 1 0 348.403 1.866 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000332353315 141167547 /nfs/dbraw/zinc/16/75/47/141167547.db2.gz YWYUPCIDFRJFGE-GXTWGEPZSA-N 1 0 343.387 1.993 20 5 EDBDRO C[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H](C)[N@H+]1C ZINC000339621474 142097954 /nfs/dbraw/zinc/09/79/54/142097954.db2.gz IAECLCKWJCZBDD-DVOMOZLQSA-N 1 0 332.404 1.725 20 5 EDBDRO NS(=O)(=O)c1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000339952935 142211171 /nfs/dbraw/zinc/21/11/71/142211171.db2.gz LKJWZSKQMATXDY-ZYHUDNBSSA-N 1 0 340.405 1.281 20 5 EDBDRO Cn1cnc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000344925422 143027499 /nfs/dbraw/zinc/02/74/99/143027499.db2.gz XBRKVJAQMWEHNS-UHFFFAOYSA-N 1 0 327.291 1.657 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](F)C[C@H]1C(N)=O ZINC000346087544 143166191 /nfs/dbraw/zinc/16/61/91/143166191.db2.gz TWHOGZJOIIORIB-GWCFXTLKSA-N 1 0 338.339 1.130 20 5 EDBDRO CO[C@H]1C[C@H](CN(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[N@H+](C)C1 ZINC000346697284 143233321 /nfs/dbraw/zinc/23/33/21/143233321.db2.gz BTQBUPBMTZLPHE-OLZOCXBDSA-N 1 0 346.387 1.867 20 5 EDBDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000347075206 143279612 /nfs/dbraw/zinc/27/96/12/143279612.db2.gz AGFFSFFHDDYZHZ-QMTHXVAHSA-N 1 0 325.340 1.261 20 5 EDBDRO CC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(C)nn(C)c1C ZINC000347950194 143382886 /nfs/dbraw/zinc/38/28/86/143382886.db2.gz CHKUGOQNXUVZOO-ZIAGYGMSSA-N 1 0 336.396 1.243 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000113305821 292180128 /nfs/dbraw/zinc/18/01/28/292180128.db2.gz YEWPJLDBQJPIQM-QWHCGFSZSA-N 1 0 339.417 1.760 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCCOC(F)F)cc1 ZINC000573238031 306616392 /nfs/dbraw/zinc/61/63/92/306616392.db2.gz KOWKYJOEXGTYED-UHFFFAOYSA-N 1 0 338.332 1.587 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355317970 150214083 /nfs/dbraw/zinc/21/40/83/150214083.db2.gz KXXDDLHHPWRKGZ-CVEARBPZSA-N 1 0 333.388 1.838 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3OC)[C@H]2C1 ZINC000355347540 150227846 /nfs/dbraw/zinc/22/78/46/150227846.db2.gz PPQMEQGMOWNNAO-GJZGRUSLSA-N 1 0 349.387 1.539 20 5 EDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000355441654 150269467 /nfs/dbraw/zinc/26/94/67/150269467.db2.gz IQKNKZVTQXIZPG-MRXNPFEDSA-N 1 0 347.415 1.851 20 5 EDBDRO NC(=O)c1ccnc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000357531292 151057957 /nfs/dbraw/zinc/05/79/57/151057957.db2.gz JKRKJOQBPAVMEJ-NSHDSACASA-N 1 0 349.391 1.002 20 5 EDBDRO CCN1CC[NH+](CCCCNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000357647901 151100546 /nfs/dbraw/zinc/10/05/46/151100546.db2.gz YHRXCZOHPIHXFX-UHFFFAOYSA-N 1 0 334.420 1.742 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000360619427 152126103 /nfs/dbraw/zinc/12/61/03/152126103.db2.gz ZDJLOCWZEYHOGV-OLZOCXBDSA-N 1 0 348.403 1.184 20 5 EDBDRO C[C@@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000417137840 304376840 /nfs/dbraw/zinc/37/68/40/304376840.db2.gz NFBLFXHFBHCOLP-BXKDBHETSA-N 1 0 328.319 1.952 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417180488 304381197 /nfs/dbraw/zinc/38/11/97/304381197.db2.gz NCTBXTVIMMTGCI-BETUJISGSA-N 1 0 348.403 1.744 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000364032052 153127266 /nfs/dbraw/zinc/12/72/66/153127266.db2.gz HJIWRTVFPUHLRK-UONOGXRCSA-N 1 0 335.408 1.575 20 5 EDBDRO [NH3+][C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1c1ccc(F)cc1 ZINC000364206015 153173315 /nfs/dbraw/zinc/17/33/15/153173315.db2.gz LKZSOUBJHPWVIY-CABCVRRESA-N 1 0 347.350 1.274 20 5 EDBDRO CC(C)N1CCC[C@@H]([N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)C1=O ZINC000364325950 153206385 /nfs/dbraw/zinc/20/63/85/153206385.db2.gz SMSUHGSSWAFPGO-UKRRQHHQSA-N 1 0 335.408 1.828 20 5 EDBDRO NC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000364794218 153336477 /nfs/dbraw/zinc/33/64/77/153336477.db2.gz RNPMXUJLAWCCFH-GFCCVEGCSA-N 1 0 329.360 1.796 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000364861250 153353044 /nfs/dbraw/zinc/35/30/44/153353044.db2.gz ZAFHQOIBXWQWGM-HUUCEWRRSA-N 1 0 339.417 1.842 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000417200430 304384086 /nfs/dbraw/zinc/38/40/86/304384086.db2.gz UFHXRJQWKCOPAV-LLVKDONJSA-N 1 0 336.392 1.872 20 5 EDBDRO CN1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)cc1 ZINC000368075645 154398074 /nfs/dbraw/zinc/39/80/74/154398074.db2.gz RDCYWELDGDUEKQ-JKSUJKDBSA-N 1 0 333.367 1.965 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCn2ccnc2C1 ZINC000369501890 155061765 /nfs/dbraw/zinc/06/17/65/155061765.db2.gz DIBPQWJCFHNVRK-GFCCVEGCSA-N 1 0 330.344 1.549 20 5 EDBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@@H]1c1ncc[nH]1 ZINC000371960222 156184824 /nfs/dbraw/zinc/18/48/24/156184824.db2.gz NSDZGAFZBAPWFF-CYBMUJFWSA-N 1 0 336.373 1.985 20 5 EDBDRO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000374067689 157129415 /nfs/dbraw/zinc/12/94/15/157129415.db2.gz HTYWMECKJXIJSJ-JGGQBBKZSA-N 1 0 349.387 1.395 20 5 EDBDRO COc1ccc(OCCN2CCN3C(=O)OC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000374561903 157329310 /nfs/dbraw/zinc/32/93/10/157329310.db2.gz TZOJDIZQQOSCQG-NSHDSACASA-N 1 0 337.332 1.119 20 5 EDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000375606892 157612210 /nfs/dbraw/zinc/61/22/10/157612210.db2.gz KKHNVRMNQGXXQX-UHFFFAOYSA-N 1 0 339.417 1.500 20 5 EDBDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2Cc2c([N+](=O)[O-])ncn2C)C[C@H](C)O1 ZINC000377959220 158040375 /nfs/dbraw/zinc/04/03/75/158040375.db2.gz UVSGVVYDNJSOQG-HZSPNIEDSA-N 1 0 337.424 1.402 20 5 EDBDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000378361194 158152511 /nfs/dbraw/zinc/15/25/11/158152511.db2.gz DTWQPBZZNLKICC-DZGCQCFKSA-N 1 0 334.380 1.113 20 5 EDBDRO O=[N+]([O-])c1ccc(OCCCN2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000378402766 158164978 /nfs/dbraw/zinc/16/49/78/158164978.db2.gz ZTKLNXBVFRJTBE-MRXNPFEDSA-N 1 0 335.404 1.770 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)n1 ZINC000378611922 158219120 /nfs/dbraw/zinc/21/91/20/158219120.db2.gz QNGUXOGRSKDWFM-LLVKDONJSA-N 1 0 345.359 1.298 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000365184092 162353728 /nfs/dbraw/zinc/35/37/28/162353728.db2.gz RSBFWBZGYAEOGG-CQSZACIVSA-N 1 0 349.387 1.587 20 5 EDBDRO C[C@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000418229428 304467193 /nfs/dbraw/zinc/46/71/93/304467193.db2.gz GWWVJFHPVHBAJC-JOYOIKCWSA-N 1 0 328.319 1.952 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000160149412 225348076 /nfs/dbraw/zinc/34/80/76/225348076.db2.gz GLRCSBMBLQLFGF-UHFFFAOYSA-N 1 0 325.365 1.302 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000120716509 287363967 /nfs/dbraw/zinc/36/39/67/287363967.db2.gz WGLJCUYGTIASGO-HNNXBMFYSA-N 1 0 335.404 1.673 20 5 EDBDRO C[NH+](C)CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12 ZINC000169677314 226554915 /nfs/dbraw/zinc/55/49/15/226554915.db2.gz ZKBJJKRIMDDCOZ-WBVHZDCISA-N 1 0 346.431 1.804 20 5 EDBDRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000128001677 287449111 /nfs/dbraw/zinc/44/91/11/287449111.db2.gz TYYIMZVYIVXWLJ-UHFFFAOYSA-N 1 0 342.783 1.691 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[NH2+]C2)cc1SC ZINC000123955269 222357373 /nfs/dbraw/zinc/35/73/73/222357373.db2.gz NQKWBGYZQLNFPC-VIFPVBQESA-N 1 0 325.390 1.807 20 5 EDBDRO [NH3+]CC1(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCC1 ZINC000124048871 222370198 /nfs/dbraw/zinc/37/01/98/222370198.db2.gz QFMGEFVGNSHXKT-UHFFFAOYSA-N 1 0 333.797 1.798 20 5 EDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000129148458 287470240 /nfs/dbraw/zinc/47/02/40/287470240.db2.gz UJAUMZOSQXSQGZ-OAHLLOKOSA-N 1 0 337.420 1.919 20 5 EDBDRO C[NH2+]C[C@H](C)CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237148722 273008163 /nfs/dbraw/zinc/00/81/63/273008163.db2.gz NYGUTNHPDZTZLL-UWVGGRQHSA-N 1 0 329.784 1.987 20 5 EDBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000237168177 273008449 /nfs/dbraw/zinc/00/84/49/273008449.db2.gz VFLATIHYNJCOPB-QMMMGPOBSA-N 1 0 330.182 1.943 20 5 EDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000237327050 267928849 /nfs/dbraw/zinc/92/88/49/267928849.db2.gz AWVROEYDGSGNMC-SECBINFHSA-N 1 0 327.406 1.911 20 5 EDBDRO COc1cc(OCC(=O)NC[C@@]2(C)CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000273065482 273027138 /nfs/dbraw/zinc/02/71/38/273027138.db2.gz ZNRNJJFYEVWHGM-INIZCTEOSA-N 1 0 337.376 1.488 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H](C)C1 ZINC000275364891 268330451 /nfs/dbraw/zinc/33/04/51/268330451.db2.gz MEHWNJVVBXCQEY-NEPJUHHUSA-N 1 0 348.403 1.371 20 5 EDBDRO NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000275577329 268363091 /nfs/dbraw/zinc/36/30/91/268363091.db2.gz OTGPBBIFJFABIQ-LBPRGKRZSA-N 1 0 329.360 1.242 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)NCCCO)CC1 ZINC000273380119 273036053 /nfs/dbraw/zinc/03/60/53/273036053.db2.gz CBEFEARKDFAXEV-UHFFFAOYSA-N 1 0 335.404 1.614 20 5 EDBDRO CS[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000273862117 273058195 /nfs/dbraw/zinc/05/81/95/273058195.db2.gz ONTDUQBXMNLZAX-RYUDHWBXSA-N 1 0 325.394 1.499 20 5 EDBDRO CCCN(CC[NH+](CC)CC)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000273988217 273065048 /nfs/dbraw/zinc/06/50/48/273065048.db2.gz BLFUGWLEGHEGNJ-UHFFFAOYSA-N 1 0 325.413 1.762 20 5 EDBDRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000274453239 273091421 /nfs/dbraw/zinc/09/14/21/273091421.db2.gz JDSJLLRUHXMBNQ-NSHDSACASA-N 1 0 334.380 1.569 20 5 EDBDRO C[C@](CO)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000173788354 272934660 /nfs/dbraw/zinc/93/46/60/272934660.db2.gz XPOIBMIBPMBDSY-LSDHHAIUSA-N 1 0 326.397 1.073 20 5 EDBDRO C[NH+]1CCC(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000277696097 273218175 /nfs/dbraw/zinc/21/81/75/273218175.db2.gz CRXMMSBQJKUCBV-UHFFFAOYSA-N 1 0 332.364 1.365 20 5 EDBDRO CCc1n[nH]c(C(=O)N(CCOC)CC[NH+](CC)CC)c1[N+](=O)[O-] ZINC000278004593 273240675 /nfs/dbraw/zinc/24/06/75/273240675.db2.gz PMQSLRDLEXUUTC-UHFFFAOYSA-N 1 0 341.412 1.311 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000284734241 274312419 /nfs/dbraw/zinc/31/24/19/274312419.db2.gz KMFPKJCRUHEERC-DJIMGWMZSA-N 1 0 336.388 1.978 20 5 EDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@H](N3CC[NH2+]CC3)C2)s1 ZINC000261901247 275034085 /nfs/dbraw/zinc/03/40/85/275034085.db2.gz OWZFEITZKZGZNL-JTQLQIEISA-N 1 0 334.405 1.083 20 5 EDBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(O)(CN3CCOCC3)CC2)cc1 ZINC000375000478 275035163 /nfs/dbraw/zinc/03/51/63/275035163.db2.gz WUANAHJCKSUHCQ-UHFFFAOYSA-N 1 0 349.431 1.296 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000186202841 276187459 /nfs/dbraw/zinc/18/74/59/276187459.db2.gz QSZXUWINEKXYFS-HNNXBMFYSA-N 1 0 341.433 1.541 20 5 EDBDRO CCOC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000286036994 287920169 /nfs/dbraw/zinc/92/01/69/287920169.db2.gz IDXBVYWMJJDMLT-ZBFHGGJFSA-N 1 0 326.393 1.985 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@H]21 ZINC000368591207 277143757 /nfs/dbraw/zinc/14/37/57/277143757.db2.gz MCHPRDOJBZICHJ-QMTHXVAHSA-N 1 0 334.332 1.669 20 5 EDBDRO COc1cc(OCC(=O)N2CCCC[C@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000286251238 287967300 /nfs/dbraw/zinc/96/73/00/287967300.db2.gz VFHFUULBDMOCKC-LBPRGKRZSA-N 1 0 337.376 1.712 20 5 EDBDRO CC(C)(C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000262007148 278265978 /nfs/dbraw/zinc/26/59/78/278265978.db2.gz GYRBZPMTNIJZRT-MRXNPFEDSA-N 1 0 346.431 1.379 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000193408338 278373569 /nfs/dbraw/zinc/37/35/69/278373569.db2.gz PRYXVEGCVUVQEY-WCBMZHEXSA-N 1 0 333.797 1.525 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000193244432 278798646 /nfs/dbraw/zinc/79/86/46/278798646.db2.gz PBGBEPOXDZPWIE-LBPRGKRZSA-N 1 0 327.406 1.490 20 5 EDBDRO C[C@@H]1CN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000420195292 278801673 /nfs/dbraw/zinc/80/16/73/278801673.db2.gz VPHGJLCJMNOGHW-YPMHNXCESA-N 1 0 343.387 1.733 20 5 EDBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346224509 279007789 /nfs/dbraw/zinc/00/77/89/279007789.db2.gz NWKUNOOZBJQGQO-YWPYICTPSA-N 1 0 332.404 1.979 20 5 EDBDRO CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000111829754 279141921 /nfs/dbraw/zinc/14/19/21/279141921.db2.gz FBQMXZNHSNRWPH-SECBINFHSA-N 1 0 335.813 1.900 20 5 EDBDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286993737 288132592 /nfs/dbraw/zinc/13/25/92/288132592.db2.gz PPSMXQCKFOIPJC-GJZGRUSLSA-N 1 0 337.376 1.839 20 5 EDBDRO NC(=O)c1ccnc(N2CCC[C@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000357544636 279608893 /nfs/dbraw/zinc/60/88/93/279608893.db2.gz XYKSVWJGGSIREB-LBPRGKRZSA-N 1 0 333.392 1.543 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C[C@H]12 ZINC000248666345 279678989 /nfs/dbraw/zinc/67/89/89/279678989.db2.gz WPNFVGLUUYDEQH-UBHAPETDSA-N 1 0 345.808 1.606 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@](C)(C[NH3+])C2)cc1OC ZINC000261706668 279948388 /nfs/dbraw/zinc/94/83/88/279948388.db2.gz BSCZKFHZDSSKBS-MRXNPFEDSA-N 1 0 337.376 1.813 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000370173282 280358267 /nfs/dbraw/zinc/35/82/67/280358267.db2.gz MXSVGFXNCMZQDF-ONGXEEELSA-N 1 0 345.808 1.621 20 5 EDBDRO Cc1cccc(N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000262148158 281226657 /nfs/dbraw/zinc/22/66/57/281226657.db2.gz FRNJMDGKVRXUFJ-GJZGRUSLSA-N 1 0 346.431 1.988 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290632954 288927778 /nfs/dbraw/zinc/92/77/78/288927778.db2.gz QRILMBVFLHZEQT-NEPJUHHUSA-N 1 0 326.356 1.825 20 5 EDBDRO C[NH+]1CCC([C@H]2CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])C2)CC1 ZINC000291006564 288988478 /nfs/dbraw/zinc/98/84/78/288988478.db2.gz VUQOGBIHXUMRFV-LBPRGKRZSA-N 1 0 333.392 1.257 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000292206952 289289371 /nfs/dbraw/zinc/28/93/71/289289371.db2.gz SVPXLRIYOMIWFK-OAHLLOKOSA-N 1 0 333.388 1.942 20 5 EDBDRO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc2O1 ZINC000292493914 289363401 /nfs/dbraw/zinc/36/34/01/289363401.db2.gz TZDRLPGVXWTQIU-IUODEOHRSA-N 1 0 332.360 1.435 20 5 EDBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453336418 293842949 /nfs/dbraw/zinc/84/29/49/293842949.db2.gz YBDFWHMTLQAWKV-APIJFGDWSA-N 1 0 338.408 1.916 20 5 EDBDRO COc1cc(CCNC(=O)[C@H]2C[C@]23CC[NH2+]C3)c([N+](=O)[O-])cc1OC ZINC000364563240 294979334 /nfs/dbraw/zinc/97/93/34/294979334.db2.gz SEDYQHNEPFJFLA-PXAZEXFGSA-N 1 0 349.387 1.270 20 5 EDBDRO C[C@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420260009 299991585 /nfs/dbraw/zinc/99/15/85/299991585.db2.gz MMZONDBDULHGGO-IUCAKERBSA-N 1 0 333.435 1.623 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000193234320 301424562 /nfs/dbraw/zinc/42/45/62/301424562.db2.gz CTZQOOCUVIXWRR-SECBINFHSA-N 1 0 333.797 1.587 20 5 EDBDRO C[NH2+]C1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000420293329 304744013 /nfs/dbraw/zinc/74/40/13/304744013.db2.gz MXDKJHFWDLKHJO-UHFFFAOYSA-N 1 0 326.784 1.871 20 5 EDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000420440566 304758128 /nfs/dbraw/zinc/75/81/28/304758128.db2.gz UJVQXEKFKQARJE-GFCCVEGCSA-N 1 0 327.406 1.584 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000160489380 302923128 /nfs/dbraw/zinc/92/31/28/302923128.db2.gz GEMGUCAUKMUZTG-LBPRGKRZSA-N 1 0 335.339 1.500 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000294014280 303051879 /nfs/dbraw/zinc/05/18/79/303051879.db2.gz DLSRHEXDTXVIKQ-DFBGVHRSSA-N 1 0 337.376 1.441 20 5 EDBDRO C[C@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000295041189 303166269 /nfs/dbraw/zinc/16/62/69/303166269.db2.gz SCHQDBXYIZKWHS-WFASDCNBSA-N 1 0 333.388 1.966 20 5 EDBDRO COc1cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000295120733 303175577 /nfs/dbraw/zinc/17/55/77/303175577.db2.gz MIVGVKWSDFPCDZ-ZANVPECISA-N 1 0 337.351 1.955 20 5 EDBDRO C[C@]1(F)CNCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000295227611 303191376 /nfs/dbraw/zinc/19/13/76/303191376.db2.gz NLWYPXDAIXHYNG-HNNXBMFYSA-N 1 0 325.340 1.524 20 5 EDBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000295341691 303207019 /nfs/dbraw/zinc/20/70/19/303207019.db2.gz DRSSCKBUAMCEOU-GFCCVEGCSA-N 1 0 346.387 1.653 20 5 EDBDRO CCn1ccnc1CNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000295406988 303214853 /nfs/dbraw/zinc/21/48/53/303214853.db2.gz HKJCPBOLFGZSEJ-UHFFFAOYSA-N 1 0 340.361 1.298 20 5 EDBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCC[NH+]1CCC(O)CC1 ZINC000296049021 303292139 /nfs/dbraw/zinc/29/21/39/303292139.db2.gz QHKPFNXOIAAQFS-UHFFFAOYSA-N 1 0 334.298 1.877 20 5 EDBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000297123718 303362037 /nfs/dbraw/zinc/36/20/37/303362037.db2.gz YUVQKDMXQIMJTM-NSHDSACASA-N 1 0 335.360 1.880 20 5 EDBDRO [NH3+]CC[C@@H]1CCCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420237512 303387010 /nfs/dbraw/zinc/38/70/10/303387010.db2.gz FYBPPYUIVFOKKW-HNNXBMFYSA-N 1 0 348.447 1.992 20 5 EDBDRO CC(C)[NH+]1CCC(Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000298793093 303555948 /nfs/dbraw/zinc/55/59/48/303555948.db2.gz MRRJZJBGUADZJC-UHFFFAOYSA-N 1 0 342.421 1.527 20 5 EDBDRO O=C(C[NH+]1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000301171725 303664602 /nfs/dbraw/zinc/66/46/02/303664602.db2.gz FFZGMRYPSHODAK-UHFFFAOYSA-N 1 0 336.367 1.478 20 5 EDBDRO [NH3+]C1(CO)CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301298984 303671463 /nfs/dbraw/zinc/67/14/63/303671463.db2.gz UAOXSPRVAIDCRD-UHFFFAOYSA-N 1 0 330.182 1.647 20 5 EDBDRO COC[C@@H](O)C[NH+]1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000301876310 303701214 /nfs/dbraw/zinc/70/12/14/303701214.db2.gz NFBBQPBOAAVNDP-LBPRGKRZSA-N 1 0 327.356 1.618 20 5 EDBDRO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000320655241 303764892 /nfs/dbraw/zinc/76/48/92/303764892.db2.gz HGWFEYJINUYAFB-NXEZZACHSA-N 1 0 330.410 1.383 20 5 EDBDRO COCC[C@@]1([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCOC1 ZINC000411636532 303902361 /nfs/dbraw/zinc/90/23/61/303902361.db2.gz DOAUGBZEQSOFGK-MRXNPFEDSA-N 1 0 337.376 1.709 20 5 EDBDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000423825982 304910705 /nfs/dbraw/zinc/91/07/05/304910705.db2.gz LSZLIXCFDSVCOH-UKRRQHHQSA-N 1 0 335.408 1.589 20 5 EDBDRO Nc1c(C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000424002874 304924436 /nfs/dbraw/zinc/92/44/36/304924436.db2.gz OUISSZOPCCMTFZ-BBRMVZONSA-N 1 0 348.403 1.536 20 5 EDBDRO O=C(CN1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000428033927 305004683 /nfs/dbraw/zinc/00/46/83/305004683.db2.gz BSSDKORSYLMURN-DZGCQCFKSA-N 1 0 330.388 1.168 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428044905 305005356 /nfs/dbraw/zinc/00/53/56/305005356.db2.gz NXUUOYOREMKCAJ-XJKSGUPXSA-N 1 0 332.404 1.916 20 5 EDBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429001053 305022272 /nfs/dbraw/zinc/02/22/72/305022272.db2.gz WMVDSRZTBCQRDY-XJKCOSOUSA-N 1 0 346.431 1.856 20 5 EDBDRO C[NH+]1CCN(CCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429866558 305039204 /nfs/dbraw/zinc/03/92/04/305039204.db2.gz JWXBSOFFDRHWAW-UHFFFAOYSA-N 1 0 334.420 1.236 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000430242130 305048483 /nfs/dbraw/zinc/04/84/83/305048483.db2.gz IDCHHUGVRQJQEP-ZDUSSCGKSA-N 1 0 337.420 1.880 20 5 EDBDRO C[NH2+]C[C@H]1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000430923677 305068469 /nfs/dbraw/zinc/06/84/69/305068469.db2.gz FXQWWQPDRIKUIP-VXGBXAGGSA-N 1 0 336.392 1.472 20 5 EDBDRO CCCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000430955855 305070675 /nfs/dbraw/zinc/07/06/75/305070675.db2.gz BAYMCWDMFXHYTJ-LBPRGKRZSA-N 1 0 336.392 1.616 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)NC(C)(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000431043605 305073672 /nfs/dbraw/zinc/07/36/72/305073672.db2.gz RHGCOVFHAQRRMQ-UHFFFAOYSA-N 1 0 349.384 1.538 20 5 EDBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3n[nH]cc3[N+](=O)[O-])cccc21 ZINC000447720363 305284419 /nfs/dbraw/zinc/28/44/19/305284419.db2.gz BKZQQTFWGDDQBR-LLVKDONJSA-N 1 0 331.332 1.955 20 5 EDBDRO O=C(C[NH2+][C@H](CO)[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000447921557 305289046 /nfs/dbraw/zinc/28/90/46/305289046.db2.gz LBKLKZVFTAWGID-OLZOCXBDSA-N 1 0 343.767 1.316 20 5 EDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)c1cnccn1 ZINC000449110642 305306827 /nfs/dbraw/zinc/30/68/27/305306827.db2.gz FOFXNHIOQVINNF-LBPRGKRZSA-N 1 0 329.360 1.335 20 5 EDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000449695389 305317270 /nfs/dbraw/zinc/31/72/70/305317270.db2.gz IAHJUTXKFYMPQH-NWDGAFQWSA-N 1 0 343.387 1.933 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000452064313 305381497 /nfs/dbraw/zinc/38/14/97/305381497.db2.gz FEKFKHJOFDSATB-AAEUAGOBSA-N 1 0 337.376 1.635 20 5 EDBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1ccc([N+](=O)[O-])cc1F ZINC000452350862 305391694 /nfs/dbraw/zinc/39/16/94/305391694.db2.gz OWZJBEMMLIXGDB-GFCCVEGCSA-N 1 0 325.340 1.311 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452365122 305393118 /nfs/dbraw/zinc/39/31/18/305393118.db2.gz NIYNKXVSLSEHHY-AWEZNQCLSA-N 1 0 339.367 1.239 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000516261475 305735325 /nfs/dbraw/zinc/73/53/25/305735325.db2.gz IHIKJMJZPMQTIK-OLZOCXBDSA-N 1 0 336.392 1.742 20 5 EDBDRO Cc1nn(CCC(=O)N2CCCC[C@H]2C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000517862692 305757106 /nfs/dbraw/zinc/75/71/06/305757106.db2.gz WXVVZJNHVUDYGD-AWEZNQCLSA-N 1 0 337.424 1.741 20 5 EDBDRO Cc1cc(C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)ccc1[N+](=O)[O-] ZINC000519138949 305766966 /nfs/dbraw/zinc/76/69/66/305766966.db2.gz LJJQYPJWFXVOPL-ZBFHGGJFSA-N 1 0 345.399 1.744 20 5 EDBDRO C[N@H+](CC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCSC1 ZINC000535723491 306014945 /nfs/dbraw/zinc/01/49/45/306014945.db2.gz MRHVWMIEJSGEQC-ZDUSSCGKSA-N 1 0 339.417 1.527 20 5 EDBDRO C[C@@H](CN1CCOCC1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548825403 306139198 /nfs/dbraw/zinc/13/91/98/306139198.db2.gz TTXHEVAGCWLUQX-ZDUSSCGKSA-N 1 0 336.392 1.234 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000548961764 306142715 /nfs/dbraw/zinc/14/27/15/306142715.db2.gz BYLSEIDPCSZFOO-DGCLKSJQSA-N 1 0 329.360 1.711 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](CO)[C@H]2C)cc1[N+](=O)[O-] ZINC000425987983 447372309 /nfs/dbraw/zinc/37/23/09/447372309.db2.gz DGFZPPAFZQYXJM-DGCLKSJQSA-N 1 0 338.360 1.349 20 5 EDBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000449937441 447415235 /nfs/dbraw/zinc/41/52/35/447415235.db2.gz BZNZLPFAOMXFSK-ZJUUUORDSA-N 1 0 325.340 1.955 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000104748477 441203606 /nfs/dbraw/zinc/20/36/06/441203606.db2.gz NSXVRKUHZKBCQJ-LLVKDONJSA-N 1 0 343.405 1.176 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000020950211 441268214 /nfs/dbraw/zinc/26/82/14/441268214.db2.gz PJDWLYKBFBOIKR-INIZCTEOSA-N 1 0 335.404 1.900 20 5 EDBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000048315109 441292783 /nfs/dbraw/zinc/29/27/83/441292783.db2.gz WJMUJYHLWXHKQJ-UHFFFAOYSA-N 1 0 346.391 1.345 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000083997596 441381399 /nfs/dbraw/zinc/38/13/99/441381399.db2.gz UCBWYIKVBXFWHD-UHFFFAOYSA-N 1 0 335.813 1.739 20 5 EDBDRO CC(=O)N1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000026339911 441374992 /nfs/dbraw/zinc/37/49/92/441374992.db2.gz RNROOWLGXCRVSE-UHFFFAOYSA-N 1 0 334.376 1.478 20 5 EDBDRO Cc1[nH]nc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c1[N+](=O)[O-] ZINC000064354520 441375968 /nfs/dbraw/zinc/37/59/68/441375968.db2.gz YBULJLKUUSUSNL-UHFFFAOYSA-N 1 0 345.363 1.025 20 5 EDBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000028014143 441422874 /nfs/dbraw/zinc/42/28/74/441422874.db2.gz FUBGQZJEWQNZCC-OAHLLOKOSA-N 1 0 335.404 1.610 20 5 EDBDRO O=C(C[N@H+](C[C@@H]1CCOC1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000052753540 441474061 /nfs/dbraw/zinc/47/40/61/441474061.db2.gz PQPJLFORDODEIN-ZDUSSCGKSA-N 1 0 345.399 1.985 20 5 EDBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000113271708 441596862 /nfs/dbraw/zinc/59/68/62/441596862.db2.gz RYYUQTPEMRGFQY-BMFZPTHFSA-N 1 0 335.404 1.503 20 5 EDBDRO COC(=O)[C@H](C)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000114062890 441632208 /nfs/dbraw/zinc/63/22/08/441632208.db2.gz YYIWKZUKNFKYGM-GFCCVEGCSA-N 1 0 337.376 1.973 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CCN(Cc3cccnc3)CC2)c1 ZINC000090538150 441633662 /nfs/dbraw/zinc/63/36/62/441633662.db2.gz VVCGPXWQDIUGKZ-UHFFFAOYSA-N 1 0 330.392 1.441 20 5 EDBDRO Cc1c(C(=O)NCCCC[NH+]2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000041362207 441647207 /nfs/dbraw/zinc/64/72/07/441647207.db2.gz SOQHURYKCAEANE-UHFFFAOYSA-N 1 0 334.420 1.661 20 5 EDBDRO CC[NH+]1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000041443327 441654585 /nfs/dbraw/zinc/65/45/85/441654585.db2.gz GZZCEAWEUSKMPD-UHFFFAOYSA-N 1 0 334.420 1.661 20 5 EDBDRO C[NH+]1CCN(CCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000041845041 441678445 /nfs/dbraw/zinc/67/84/45/441678445.db2.gz FVKSOEBHWFNJAR-UHFFFAOYSA-N 1 0 348.447 1.870 20 5 EDBDRO COc1ccc(CC(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000067908413 441695228 /nfs/dbraw/zinc/69/52/28/441695228.db2.gz ZEVNGQIBXZOUEI-CYBMUJFWSA-N 1 0 335.404 1.994 20 5 EDBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158369610 441731327 /nfs/dbraw/zinc/73/13/27/441731327.db2.gz MOSRRNRVJDYRDO-KRWDZBQOSA-N 1 0 341.371 1.606 20 5 EDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000115438909 441741344 /nfs/dbraw/zinc/74/13/44/441741344.db2.gz CWVRSIQHDUJHSH-NSHDSACASA-N 1 0 331.376 1.885 20 5 EDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158751436 441760029 /nfs/dbraw/zinc/76/00/29/441760029.db2.gz GOBYTLTVKSPPJY-KRWDZBQOSA-N 1 0 332.404 1.999 20 5 EDBDRO CCC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC(=O)NC ZINC000173556379 441789661 /nfs/dbraw/zinc/78/96/61/441789661.db2.gz VWWZRQMBGKYQSK-UHFFFAOYSA-N 1 0 325.365 1.440 20 5 EDBDRO COCC[NH+]1CCC(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000138598368 441794680 /nfs/dbraw/zinc/79/46/80/441794680.db2.gz SJOFFTVEKVUQIJ-UHFFFAOYSA-N 1 0 347.375 1.312 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000141417704 441850551 /nfs/dbraw/zinc/85/05/51/441850551.db2.gz QHSWTYJIWYIBKB-LBPRGKRZSA-N 1 0 337.351 1.809 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000160687820 441909394 /nfs/dbraw/zinc/90/93/94/441909394.db2.gz ABDZFFNWMJBURN-UHFFFAOYSA-N 1 0 343.387 1.676 20 5 EDBDRO CC1CCN(C(=O)C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000174863484 441977005 /nfs/dbraw/zinc/97/70/05/441977005.db2.gz MQQBOBHQQXQVQK-UHFFFAOYSA-N 1 0 349.435 1.762 20 5 EDBDRO C[C@]1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]C1 ZINC000160913495 441935388 /nfs/dbraw/zinc/93/53/88/441935388.db2.gz CJYQABBXTJQLNF-KRWDZBQOSA-N 1 0 333.388 1.964 20 5 EDBDRO CCC[N@H+](C)C[C@H]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000078562519 441944036 /nfs/dbraw/zinc/94/40/36/441944036.db2.gz YKHSARCKDDYNCC-GFCCVEGCSA-N 1 0 345.403 1.999 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000078583630 441947364 /nfs/dbraw/zinc/94/73/64/441947364.db2.gz HWVKZLGQDHGGCC-NSHDSACASA-N 1 0 342.421 1.020 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCN(c3ccccc3)CC2)c1 ZINC000174743685 441963175 /nfs/dbraw/zinc/96/31/75/441963175.db2.gz UWKAKYZXQYLMBH-KRWDZBQOSA-N 1 0 345.403 1.365 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000069527666 441965474 /nfs/dbraw/zinc/96/54/74/441965474.db2.gz QGDKKMPFFSTGDE-CQSZACIVSA-N 1 0 337.376 1.201 20 5 EDBDRO CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCC[N@H+](C)C1 ZINC000151114249 442008257 /nfs/dbraw/zinc/00/82/57/442008257.db2.gz XMLJTFVAFDCUSV-LBPRGKRZSA-N 1 0 344.371 1.603 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](CCO)C(C)C)c([N+](=O)[O-])c1 ZINC000162042141 442057525 /nfs/dbraw/zinc/05/75/25/442057525.db2.gz RRFDVXLLOQTYHU-WCQYABFASA-N 1 0 339.392 1.927 20 5 EDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)cc1 ZINC000120859534 442143303 /nfs/dbraw/zinc/14/33/03/442143303.db2.gz KOJVPRPWYBHUJB-HNNXBMFYSA-N 1 0 339.417 1.293 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000152459512 442215964 /nfs/dbraw/zinc/21/59/64/442215964.db2.gz CMVHIEUTYACTSL-CYBMUJFWSA-N 1 0 349.435 1.965 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000152469370 442216997 /nfs/dbraw/zinc/21/69/97/442216997.db2.gz FLMPCCFHBICWCI-UHFFFAOYSA-N 1 0 325.365 1.302 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000128024218 442240569 /nfs/dbraw/zinc/24/05/69/442240569.db2.gz NSLNNJONTIOPGR-LLVKDONJSA-N 1 0 342.421 1.020 20 5 EDBDRO CN(CC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000128468930 442268576 /nfs/dbraw/zinc/26/85/76/442268576.db2.gz DJCPEOQIYYIOIS-UHFFFAOYSA-N 1 0 336.392 1.065 20 5 EDBDRO Cc1nn(C)c(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000128561422 442274933 /nfs/dbraw/zinc/27/49/33/442274933.db2.gz UQGJWRJPAXACPK-TUAOUCFPSA-N 1 0 337.424 1.733 20 5 EDBDRO CNC(=O)[C@H](C)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128817342 442289743 /nfs/dbraw/zinc/28/97/43/442289743.db2.gz XMSVASOXGMORRJ-SNVBAGLBSA-N 1 0 340.355 1.376 20 5 EDBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000171504935 442353300 /nfs/dbraw/zinc/35/33/00/442353300.db2.gz XKYUGZWBTAHIAB-LBPRGKRZSA-N 1 0 327.406 1.666 20 5 EDBDRO Cc1cc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000172016358 442400010 /nfs/dbraw/zinc/40/00/10/442400010.db2.gz XOSARKSEJOLCTE-UHFFFAOYSA-N 1 0 339.417 1.808 20 5 EDBDRO CC[C@]1(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCC[NH2+]1 ZINC000134608497 442500581 /nfs/dbraw/zinc/50/05/81/442500581.db2.gz MYEFYKRFXRYBGM-MLGOLLRUSA-N 1 0 333.392 1.535 20 5 EDBDRO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@H]1CCC[NH2+]1 ZINC000178737524 442470202 /nfs/dbraw/zinc/47/02/02/442470202.db2.gz LBHMNCQRGUPXHS-LLVKDONJSA-N 1 0 348.359 1.151 20 5 EDBDRO C[NH+](C)C1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000134910200 442535836 /nfs/dbraw/zinc/53/58/36/442535836.db2.gz PVJQMSYTNNQOJU-UHFFFAOYSA-N 1 0 347.293 1.922 20 5 EDBDRO CC[NH+]1CCN(CCNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000186336809 442514940 /nfs/dbraw/zinc/51/49/40/442514940.db2.gz ACXFXMYFFDHGJV-CCEZHUSRSA-N 1 0 346.431 1.752 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000192028439 442573992 /nfs/dbraw/zinc/57/39/92/442573992.db2.gz XOQDTRBSEMSYBT-ZDUSSCGKSA-N 1 0 327.406 1.699 20 5 EDBDRO COC(=O)C[C@H]1CCCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000179124106 442576935 /nfs/dbraw/zinc/57/69/35/442576935.db2.gz LFHUPHMQQNELJI-GFCCVEGCSA-N 1 0 335.360 1.869 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000180352397 442584977 /nfs/dbraw/zinc/58/49/77/442584977.db2.gz IJWBQXAIDWAZBX-UHFFFAOYSA-N 1 0 348.403 1.831 20 5 EDBDRO C[NH+](C)C1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000135807848 442635054 /nfs/dbraw/zinc/63/50/54/442635054.db2.gz PLLAPJBJGSXNNL-UHFFFAOYSA-N 1 0 343.387 1.947 20 5 EDBDRO CCOc1cc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000186880575 442625122 /nfs/dbraw/zinc/62/51/22/442625122.db2.gz REUYPTULIMENLF-PWSUYJOCSA-N 1 0 337.376 1.730 20 5 EDBDRO C[C@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000193036457 442707091 /nfs/dbraw/zinc/70/70/91/442707091.db2.gz RHGIQALEBZEGLV-JOYOIKCWSA-N 1 0 333.435 1.842 20 5 EDBDRO CC(C)(C)[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000193096894 442712703 /nfs/dbraw/zinc/71/27/03/442712703.db2.gz CMJRMQDJHLHSIC-CYBMUJFWSA-N 1 0 330.406 1.365 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000193624725 442760835 /nfs/dbraw/zinc/76/08/35/442760835.db2.gz PGTGZNUYSZKKFB-BMIGLBTASA-N 1 0 334.376 1.346 20 5 EDBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000193711590 442771392 /nfs/dbraw/zinc/77/13/92/442771392.db2.gz XVCBNVLLXLOGET-AWEZNQCLSA-N 1 0 334.376 1.055 20 5 EDBDRO C[C@@H](O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000194020139 442830046 /nfs/dbraw/zinc/83/00/46/442830046.db2.gz SVLRZFUTVUHADR-WDEREUQCSA-N 1 0 341.795 1.775 20 5 EDBDRO CC(C)[NH+](CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)C(C)C ZINC000194195217 442860540 /nfs/dbraw/zinc/86/05/40/442860540.db2.gz ILWXDCFVYICGOS-UHFFFAOYSA-N 1 0 344.437 1.773 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000268160522 442877661 /nfs/dbraw/zinc/87/76/61/442877661.db2.gz XAQXBTDLQKBDNE-SWLSCSKDSA-N 1 0 347.419 1.789 20 5 EDBDRO COc1cc(OCC(=O)N2CCC[C@@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000268212384 442902260 /nfs/dbraw/zinc/90/22/60/442902260.db2.gz VPIBTXLMFHGAHM-GFCCVEGCSA-N 1 0 337.376 1.535 20 5 EDBDRO COC[C@H](CCO)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000265762257 442911647 /nfs/dbraw/zinc/91/16/47/442911647.db2.gz KHJGJRDYPQJXMY-AWEZNQCLSA-N 1 0 334.376 1.482 20 5 EDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000265939137 442976253 /nfs/dbraw/zinc/97/62/53/442976253.db2.gz FPXCGLNGZNRJHV-LLVKDONJSA-N 1 0 342.421 1.020 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000251436248 443014045 /nfs/dbraw/zinc/01/40/45/443014045.db2.gz BWHANFVERPHMOP-NCRJZKAISA-N 1 0 333.388 1.522 20 5 EDBDRO C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000189891246 443024945 /nfs/dbraw/zinc/02/49/45/443024945.db2.gz NIPKNIAMNSBJEC-AWEZNQCLSA-N 1 0 337.420 1.751 20 5 EDBDRO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1[NH+](C)C ZINC000266146601 443034997 /nfs/dbraw/zinc/03/49/97/443034997.db2.gz GMMGFPOYSQEKAH-QMTHXVAHSA-N 1 0 325.340 1.521 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000189958334 443038274 /nfs/dbraw/zinc/03/82/74/443038274.db2.gz JMRQIQZOJXKBIQ-CYBMUJFWSA-N 1 0 341.433 1.832 20 5 EDBDRO NC(=O)c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c([N+](=O)[O-])c1 ZINC000296359667 318688996 /nfs/dbraw/zinc/68/89/96/318688996.db2.gz SAECFCQVZGTMAK-CFVMTHIKSA-N 1 0 331.372 1.741 20 5 EDBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000184581317 443044086 /nfs/dbraw/zinc/04/40/86/443044086.db2.gz DHKRGEYVHAWATA-GFCCVEGCSA-N 1 0 336.396 1.137 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000253356042 443050170 /nfs/dbraw/zinc/05/01/70/443050170.db2.gz XOUAWQPFAKDDMV-CABCVRRESA-N 1 0 337.420 1.751 20 5 EDBDRO CC[NH+](CC)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O ZINC000296846531 318731794 /nfs/dbraw/zinc/73/17/94/318731794.db2.gz XRPGTIUKBDYUMJ-UHFFFAOYSA-N 1 0 341.389 1.471 20 5 EDBDRO CCN1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1=O ZINC000190216553 443072946 /nfs/dbraw/zinc/07/29/46/443072946.db2.gz BGZBIAKYOZARFM-UHFFFAOYSA-N 1 0 348.403 1.786 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC000261753280 443168631 /nfs/dbraw/zinc/16/86/31/443168631.db2.gz QHPVNZPDLCBRQR-AWEZNQCLSA-N 1 0 327.406 1.571 20 5 EDBDRO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000185335330 443184429 /nfs/dbraw/zinc/18/44/29/443184429.db2.gz IEXKSAKCDXQOEU-HNNXBMFYSA-N 1 0 335.404 1.823 20 5 EDBDRO Cn1cc(C(=O)NCC[NH2+]C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237884961 443186749 /nfs/dbraw/zinc/18/67/49/443186749.db2.gz SJPGCCLIFBYSGB-UHFFFAOYSA-N 1 0 329.360 1.477 20 5 EDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000266519076 443154255 /nfs/dbraw/zinc/15/42/55/443154255.db2.gz IBDVSMZCMMSIQU-NEPJUHHUSA-N 1 0 342.421 1.161 20 5 EDBDRO CCc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000304520356 318920322 /nfs/dbraw/zinc/92/03/22/318920322.db2.gz KAEMZLBDYSZYIO-MRXNPFEDSA-N 1 0 349.431 1.980 20 5 EDBDRO COCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccccc1 ZINC000266534601 443159925 /nfs/dbraw/zinc/15/99/25/443159925.db2.gz NQNVLBIENIMOMZ-YOEHRIQHSA-N 1 0 348.403 1.862 20 5 EDBDRO Cc1c(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000269184992 443225688 /nfs/dbraw/zinc/22/56/88/443225688.db2.gz CYSIZNUJRYMHTG-MNOVXSKESA-N 1 0 334.332 1.778 20 5 EDBDRO CC(C)C[C@H](C[NH3+])NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269210672 443234092 /nfs/dbraw/zinc/23/40/92/443234092.db2.gz NSKKROAZMSTVLO-CYBMUJFWSA-N 1 0 336.392 1.204 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190884780 443203777 /nfs/dbraw/zinc/20/37/77/443203777.db2.gz HVHVGOGCFFPPBV-NEPJUHHUSA-N 1 0 337.376 1.492 20 5 EDBDRO COc1cc(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000262741585 443210309 /nfs/dbraw/zinc/21/03/09/443210309.db2.gz JITSEJIKDYSTHO-WDEREUQCSA-N 1 0 343.405 1.351 20 5 EDBDRO C[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[N@H+](C)Cc1ccccc1 ZINC000269159799 443217245 /nfs/dbraw/zinc/21/72/45/443217245.db2.gz UBVCIUKDOFFWKZ-CYBMUJFWSA-N 1 0 331.376 1.428 20 5 EDBDRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000397421376 319134695 /nfs/dbraw/zinc/13/46/95/319134695.db2.gz UWOXNBKGLNSNBT-YRGRVCCFSA-N 1 0 341.433 1.730 20 5 EDBDRO CC(C)[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@@H](C)[NH3+] ZINC000399520451 319137634 /nfs/dbraw/zinc/13/76/34/319137634.db2.gz OLBYSYLCMGEULQ-CZUORRHYSA-N 1 0 334.420 1.863 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)CC[NH+]2CCCC2)c1F ZINC000412001818 319220297 /nfs/dbraw/zinc/22/02/97/319220297.db2.gz IHIWKAFBACUWDE-UHFFFAOYSA-N 1 0 339.367 1.839 20 5 EDBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000413821526 319292102 /nfs/dbraw/zinc/29/21/02/319292102.db2.gz RZXQYXWKICWRPM-ZDUSSCGKSA-N 1 0 325.340 1.311 20 5 EDBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1C ZINC000414090463 319317126 /nfs/dbraw/zinc/31/71/26/319317126.db2.gz KIQYWVGDFXHQPA-WOPDTQHZSA-N 1 0 327.406 1.507 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000269331884 443283424 /nfs/dbraw/zinc/28/34/24/443283424.db2.gz CJDNYABPJNDPSN-CQSZACIVSA-N 1 0 341.433 1.872 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000266983478 443308439 /nfs/dbraw/zinc/30/84/39/443308439.db2.gz FBJOCKCRUKGKQW-AWEZNQCLSA-N 1 0 349.387 1.729 20 5 EDBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000264528603 443314958 /nfs/dbraw/zinc/31/49/58/443314958.db2.gz NVSJTLKXNGNMRA-QGZVFWFLSA-N 1 0 346.431 1.837 20 5 EDBDRO COc1cc(CCNC(=O)N[C@@H](C)CC[NH3+])c([N+](=O)[O-])cc1OC ZINC000416929121 319476594 /nfs/dbraw/zinc/47/65/94/319476594.db2.gz ZNNSWZHVYJLVDF-JTQLQIEISA-N 1 0 340.380 1.191 20 5 EDBDRO CC[NH+]1CCC(NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000272472025 443330488 /nfs/dbraw/zinc/33/04/88/443330488.db2.gz NEAKVUCOBNPOGA-UHFFFAOYSA-N 1 0 341.433 1.541 20 5 EDBDRO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282503571 443358274 /nfs/dbraw/zinc/35/82/74/443358274.db2.gz RDDWDHFELCKVPJ-CJNGLKHVSA-N 1 0 335.404 1.753 20 5 EDBDRO C[NH+]1CCC(C)(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000272571969 443367481 /nfs/dbraw/zinc/36/74/81/443367481.db2.gz WAGKHOYXULJCEP-UHFFFAOYSA-N 1 0 335.360 1.785 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000420315326 319609756 /nfs/dbraw/zinc/60/97/56/319609756.db2.gz LRLZJCAUHGULLG-GFCCVEGCSA-N 1 0 338.433 1.414 20 5 EDBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000269745490 443421931 /nfs/dbraw/zinc/42/19/31/443421931.db2.gz XRXZOGGVFLQNRI-CQSZACIVSA-N 1 0 348.403 1.233 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000267276547 443402342 /nfs/dbraw/zinc/40/23/42/443402342.db2.gz NXGIVWYOTUWJOF-GHMZBOCLSA-N 1 0 342.421 1.527 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000278804582 443446187 /nfs/dbraw/zinc/44/61/87/443446187.db2.gz NXHSWZDQGHIPOT-GFCCVEGCSA-N 1 0 348.403 1.383 20 5 EDBDRO CN(CC[N@H+](C)C1CC1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278816399 443450752 /nfs/dbraw/zinc/45/07/52/443450752.db2.gz ZAWAKTVILPVSJY-UHFFFAOYSA-N 1 0 346.391 1.707 20 5 EDBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000265008686 443507360 /nfs/dbraw/zinc/50/73/60/443507360.db2.gz WPXHLINERZWAKQ-VXGBXAGGSA-N 1 0 347.371 1.675 20 5 EDBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000265011309 443508287 /nfs/dbraw/zinc/50/82/87/443508287.db2.gz UTADULWBQBGBFU-CQSZACIVSA-N 1 0 337.424 1.871 20 5 EDBDRO C[C@H]1[C@H]([NH3+])CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423658287 319798657 /nfs/dbraw/zinc/79/86/57/319798657.db2.gz CWZGJAIQTNHXDX-GXSJLCMTSA-N 1 0 327.768 1.965 20 5 EDBDRO COc1ccc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000265096088 443531912 /nfs/dbraw/zinc/53/19/12/443531912.db2.gz RRGICCWUNAPMAO-GXTWGEPZSA-N 1 0 348.403 1.982 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000272321470 443591205 /nfs/dbraw/zinc/59/12/05/443591205.db2.gz UDEURXYQUUASMV-WDEREUQCSA-N 1 0 337.376 1.811 20 5 EDBDRO COc1ccc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000286192118 443665203 /nfs/dbraw/zinc/66/52/03/443665203.db2.gz XPMYCOKBZSXNDJ-ZFWWWQNUSA-N 1 0 335.404 1.898 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000440748582 320078765 /nfs/dbraw/zinc/07/87/65/320078765.db2.gz PAXLKOLDEIHZII-BDAKNGLRSA-N 1 0 347.368 1.113 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444272063 320124279 /nfs/dbraw/zinc/12/42/79/320124279.db2.gz WFAWSFHGGRBIMD-VXGBXAGGSA-N 1 0 338.412 1.086 20 5 EDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000453398021 320263447 /nfs/dbraw/zinc/26/34/47/320263447.db2.gz KGAWBDZVYXZRDR-MEDUHNTESA-N 1 0 334.376 1.570 20 5 EDBDRO C[C@@H](CO)[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000280361257 443702765 /nfs/dbraw/zinc/70/27/65/443702765.db2.gz JTBQOISOAJOBMY-DZGCQCFKSA-N 1 0 338.404 1.817 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286386958 443703182 /nfs/dbraw/zinc/70/31/82/443703182.db2.gz GWFZVYSLTXKNCS-ZIAGYGMSSA-N 1 0 337.376 1.777 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000291007356 443731251 /nfs/dbraw/zinc/73/12/51/443731251.db2.gz CNXYWVDEVZEGOZ-UHFFFAOYSA-N 1 0 345.359 1.611 20 5 EDBDRO COc1ccc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000283825838 443733137 /nfs/dbraw/zinc/73/31/37/443733137.db2.gz DPGPNMVHVIYEOV-DOMZBBRYSA-N 1 0 326.393 1.851 20 5 EDBDRO COC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000280805177 443747353 /nfs/dbraw/zinc/74/73/53/443747353.db2.gz SNMMKAYWSHJPKE-VXGBXAGGSA-N 1 0 335.360 1.664 20 5 EDBDRO COC(=O)[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000280752501 443743583 /nfs/dbraw/zinc/74/35/83/443743583.db2.gz NLLNPGJEJFIBEC-OSAQELSMSA-N 1 0 338.360 1.075 20 5 EDBDRO COc1ccc(OCC[N@H+](C)C2(CO)CCOCC2)c([N+](=O)[O-])c1 ZINC000276755097 443814348 /nfs/dbraw/zinc/81/43/48/443814348.db2.gz IPCHTBYBCXYRQG-UHFFFAOYSA-N 1 0 340.376 1.456 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](O)C23CCCC3)c1 ZINC000292677978 443816074 /nfs/dbraw/zinc/81/60/74/443816074.db2.gz JKIKOVCREPCEID-HOCLYGCPSA-N 1 0 336.388 1.714 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(c3ncc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000292722867 443826704 /nfs/dbraw/zinc/82/67/04/443826704.db2.gz HOVUPZKLDAANSH-QWHCGFSZSA-N 1 0 326.784 1.943 20 5 EDBDRO CCN1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C)C1 ZINC000288325901 443845393 /nfs/dbraw/zinc/84/53/93/443845393.db2.gz ICAUNQBJHAXANP-NSHDSACASA-N 1 0 335.360 1.532 20 5 EDBDRO COC(=O)c1cnc(N2CC[C@@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000276748843 443811620 /nfs/dbraw/zinc/81/16/20/443811620.db2.gz HJJSPDJBAMAKQZ-CYBMUJFWSA-N 1 0 334.376 1.841 20 5 EDBDRO COc1cc(N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000285209579 443896201 /nfs/dbraw/zinc/89/62/01/443896201.db2.gz WYLNXCGVFCLBAN-KBPBESRZSA-N 1 0 325.340 1.652 20 5 EDBDRO Cc1cc(OCC(=O)N2CCO[C@@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000281275763 443867038 /nfs/dbraw/zinc/86/70/38/443867038.db2.gz GIJLYYKEMOIHLK-AWEZNQCLSA-N 1 0 337.376 1.071 20 5 EDBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000298967906 443916507 /nfs/dbraw/zinc/91/65/07/443916507.db2.gz FUQTVNLQOPPZDG-QWHCGFSZSA-N 1 0 347.371 1.723 20 5 EDBDRO COC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000542524422 320782183 /nfs/dbraw/zinc/78/21/83/320782183.db2.gz BBNDHHQACKAIEX-CYBMUJFWSA-N 1 0 325.365 1.803 20 5 EDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H](O)Cc1ccccc1 ZINC000293210310 443952413 /nfs/dbraw/zinc/95/24/13/443952413.db2.gz GGUOELRFWJDXPE-MRXNPFEDSA-N 1 0 331.372 1.292 20 5 EDBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000299237077 443991827 /nfs/dbraw/zinc/99/18/27/443991827.db2.gz IKAKCTRNZOPVSB-MJBXVCDLSA-N 1 0 337.424 1.664 20 5 EDBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293512587 444039420 /nfs/dbraw/zinc/03/94/20/444039420.db2.gz TVEFVQFNDGPAKV-YGRLFVJLSA-N 1 0 342.355 1.673 20 5 EDBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000565166009 321171804 /nfs/dbraw/zinc/17/18/04/321171804.db2.gz XZPUAABMDMSCPO-KBPBESRZSA-N 1 0 335.360 1.642 20 5 EDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000565166028 321171968 /nfs/dbraw/zinc/17/19/68/321171968.db2.gz XZPUAABMDMSCPO-UONOGXRCSA-N 1 0 335.360 1.642 20 5 EDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)COC[C@H]1CCCO1 ZINC000565672901 321197110 /nfs/dbraw/zinc/19/71/10/321197110.db2.gz NDRJDYRCIVXGGP-JKSUJKDBSA-N 1 0 338.404 1.626 20 5 EDBDRO CC(C)([NH3+])c1noc(Cn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)n1 ZINC000566184607 321221602 /nfs/dbraw/zinc/22/16/02/321221602.db2.gz QCSSEFOCINFJFS-UHFFFAOYSA-N 1 0 346.303 1.037 20 5 EDBDRO [NH3+]CCCCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000570088914 321337141 /nfs/dbraw/zinc/33/71/41/321337141.db2.gz PETJNHCUSZWIOO-UHFFFAOYSA-N 1 0 334.376 1.008 20 5 EDBDRO Cc1c(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000278300975 444133024 /nfs/dbraw/zinc/13/30/24/444133024.db2.gz RVNHDJMAAVZXJI-KWQFWETISA-N 1 0 336.348 1.990 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)n1 ZINC000289451428 444148024 /nfs/dbraw/zinc/14/80/24/444148024.db2.gz LBULGTACEWQZCR-OAHLLOKOSA-N 1 0 327.388 1.928 20 5 EDBDRO C[N@H+](CCO)C1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000302026325 444201239 /nfs/dbraw/zinc/20/12/39/444201239.db2.gz IBPYZOTZUBXMHG-UHFFFAOYSA-N 1 0 347.375 1.137 20 5 EDBDRO O=C(C[N@H+]1CCC[C@@H]1CCCO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000304327685 444247044 /nfs/dbraw/zinc/24/70/44/444247044.db2.gz QQABIEYAUKYAEY-CQSZACIVSA-N 1 0 333.388 1.721 20 5 EDBDRO O=[N+]([O-])c1cccc(OCCN2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000304676069 444251341 /nfs/dbraw/zinc/25/13/41/444251341.db2.gz DBMMMTNIRVJLPG-IAGOWNOFSA-N 1 0 349.431 1.895 20 5 EDBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290190233 444253125 /nfs/dbraw/zinc/25/31/25/444253125.db2.gz QGVFCLGUHVMBKD-CHWSQXEVSA-N 1 0 341.371 1.462 20 5 EDBDRO Cc1cc(=O)n(C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000305078562 444256896 /nfs/dbraw/zinc/25/68/96/444256896.db2.gz RFNHODPAAUQFKN-OAHLLOKOSA-N 1 0 331.372 1.558 20 5 EDBDRO C[N@@H+]1CCC[C@H](N2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000305176554 444263120 /nfs/dbraw/zinc/26/31/20/444263120.db2.gz LPSJLJCWGUMNAP-ROUUACIJSA-N 1 0 348.447 1.340 20 5 EDBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000305202090 444264285 /nfs/dbraw/zinc/26/42/85/444264285.db2.gz BCXBWJXBUILKBA-GXTWGEPZSA-N 1 0 333.388 1.719 20 5 EDBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000303043296 444233382 /nfs/dbraw/zinc/23/33/82/444233382.db2.gz WTATWLGUUWPXGL-GRYCIOLGSA-N 1 0 336.392 1.792 20 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ZINC000578084882 321720886 /nfs/dbraw/zinc/72/08/86/321720886.db2.gz IDFSGTKIJQKQPA-GLQYFDAESA-N 1 0 339.417 1.651 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000314481680 444301117 /nfs/dbraw/zinc/30/11/17/444301117.db2.gz LTTKINUZSROZQA-NSHDSACASA-N 1 0 325.390 1.548 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000323672190 444344877 /nfs/dbraw/zinc/34/48/77/444344877.db2.gz CFKANDKFXLVADG-WFASDCNBSA-N 1 0 339.417 1.653 20 5 EDBDRO CSCC[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000579592341 321951426 /nfs/dbraw/zinc/95/14/26/321951426.db2.gz PUZRTCHSZKZCBK-LLVKDONJSA-N 1 0 348.446 1.072 20 5 EDBDRO CC[C@@](C)(C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC ZINC000581127114 322138875 /nfs/dbraw/zinc/13/88/75/322138875.db2.gz KSBSKWNTAZGQCX-AWEZNQCLSA-N 1 0 330.406 1.773 20 5 EDBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@@H]1C[NH3+] ZINC000581879144 322227145 /nfs/dbraw/zinc/22/71/45/322227145.db2.gz PPIRUXVNAUOPHU-UTUOFQBUSA-N 1 0 349.387 1.811 20 5 EDBDRO C[C@@H](C[NH+](C)C)Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000343804828 444602287 /nfs/dbraw/zinc/60/22/87/444602287.db2.gz JVGNYQLYSHQVTR-LBPRGKRZSA-N 1 0 336.392 1.429 20 5 EDBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000340972615 444608119 /nfs/dbraw/zinc/60/81/19/444608119.db2.gz XCRJSUOOUIIAFH-UONOGXRCSA-N 1 0 332.404 1.441 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000334042497 444758572 /nfs/dbraw/zinc/75/85/72/444758572.db2.gz PWZNXMVKEJUMNQ-OBJOEFQTSA-N 1 0 348.403 1.312 20 5 EDBDRO CCCC[C@@H](C[NH3+])Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000336853416 444803451 /nfs/dbraw/zinc/80/34/51/444803451.db2.gz HBZXEBLHNFGAIZ-JTQLQIEISA-N 1 0 330.410 1.432 20 5 EDBDRO C[NH+](C)CCO[C@@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000342633696 444789020 /nfs/dbraw/zinc/78/90/20/444789020.db2.gz JDQLXSKQSZDSHL-SNVBAGLBSA-N 1 0 337.405 1.756 20 5 EDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCOCC[NH+](C)C ZINC000338751770 444837221 /nfs/dbraw/zinc/83/72/21/444837221.db2.gz WIMCDMBBNRRPNU-UHFFFAOYSA-N 1 0 338.408 1.357 20 5 EDBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000619153812 450418157 /nfs/dbraw/zinc/41/81/57/450418157.db2.gz MYVVQIPYYMKLJP-INIZCTEOSA-N 1 0 346.431 1.711 20 5 EDBDRO CC(C)C[NH+]1CCC(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000330422270 444975937 /nfs/dbraw/zinc/97/59/37/444975937.db2.gz DOOQXTIKYXPBFV-UHFFFAOYSA-N 1 0 337.424 1.763 20 5 EDBDRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000337294641 445020403 /nfs/dbraw/zinc/02/04/03/445020403.db2.gz NLYYDEJVGMRGPB-RISCZKNCSA-N 1 0 345.396 1.541 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000341865114 445041167 /nfs/dbraw/zinc/04/11/67/445041167.db2.gz FRZIEFUVNCHEIE-CYBMUJFWSA-N 1 0 346.387 1.917 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000348173830 445303778 /nfs/dbraw/zinc/30/37/78/445303778.db2.gz WRJNGAOFRAFNJZ-VXGBXAGGSA-N 1 0 334.376 1.346 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000348174307 445304277 /nfs/dbraw/zinc/30/42/77/445304277.db2.gz XIMCRZHMCBKUHI-KGLIPLIRSA-N 1 0 348.403 1.736 20 5 EDBDRO COCC[N@H+](C)CCCC1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000354576824 445300992 /nfs/dbraw/zinc/30/09/92/445300992.db2.gz WNNPKUSTDHLARU-UHFFFAOYSA-N 1 0 337.424 1.960 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)c1 ZINC000351902345 445364536 /nfs/dbraw/zinc/36/45/36/445364536.db2.gz IOWIHUXADLFYJC-FZMZJTMJSA-N 1 0 341.433 1.782 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000351905098 445366041 /nfs/dbraw/zinc/36/60/41/445366041.db2.gz SCVYGTDYICGOQC-WCQYABFASA-N 1 0 341.433 1.973 20 5 EDBDRO COc1cc(CN(C)C2C[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000357061235 445401573 /nfs/dbraw/zinc/40/15/73/445401573.db2.gz ZUZSRZWLVFWAND-UHFFFAOYSA-N 1 0 349.309 1.948 20 5 EDBDRO C[C@H](CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)[N@H+](C)C1CC1 ZINC000357998789 445598894 /nfs/dbraw/zinc/59/88/94/445598894.db2.gz DMSVIXXBOIUPME-GFCCVEGCSA-N 1 0 348.403 1.982 20 5 EDBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000360334852 445699354 /nfs/dbraw/zinc/69/93/54/445699354.db2.gz LBBZNYFZPIVWPO-CHWSQXEVSA-N 1 0 325.413 1.877 20 5 EDBDRO Cc1cc(NC[C@H](CO)[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000360275746 445671549 /nfs/dbraw/zinc/67/15/49/445671549.db2.gz SOFJMYQPCPVKTA-CHWSQXEVSA-N 1 0 331.372 1.930 20 5 EDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363325928 445766641 /nfs/dbraw/zinc/76/66/41/445766641.db2.gz MTWCKUFZVKCPNS-KBPBESRZSA-N 1 0 349.387 1.343 20 5 EDBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000350670626 445877904 /nfs/dbraw/zinc/87/79/04/445877904.db2.gz UASLJZXFHBNRMU-UHFFFAOYSA-N 1 0 327.406 1.621 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCn2ccc3ccccc32)c1 ZINC000582296482 325814556 /nfs/dbraw/zinc/81/45/56/325814556.db2.gz KANQBEOGKHDDDG-MRXNPFEDSA-N 1 0 343.387 1.787 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000356733786 445976896 /nfs/dbraw/zinc/97/68/96/445976896.db2.gz UBALVZUOXDGAFR-UHFFFAOYSA-N 1 0 345.403 1.969 20 5 EDBDRO CNS(=O)(=O)c1ccc(N2CC[N@H+](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000356794665 446027924 /nfs/dbraw/zinc/02/79/24/446027924.db2.gz NBMOOMDKGVNEGS-GHMZBOCLSA-N 1 0 342.421 1.032 20 5 EDBDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3csc([N+](=O)[O-])c3)C2)CC1 ZINC000369265365 446030894 /nfs/dbraw/zinc/03/08/94/446030894.db2.gz GDEIRPLQLDIRBJ-GFCCVEGCSA-N 1 0 338.433 1.555 20 5 EDBDRO COc1ccc(CC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000583262532 326037763 /nfs/dbraw/zinc/03/77/63/326037763.db2.gz JQFMBZWIGURQQV-LBPRGKRZSA-N 1 0 329.303 1.259 20 5 EDBDRO Cc1cc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])nc(C)n1 ZINC000583689374 326119066 /nfs/dbraw/zinc/11/90/66/326119066.db2.gz MRDXHUCNZRWVHS-CQSZACIVSA-N 1 0 332.360 1.531 20 5 EDBDRO CC[C@H](O)CCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583812377 326144685 /nfs/dbraw/zinc/14/46/85/326144685.db2.gz DWMPUAHRGVTOGO-ZDUSSCGKSA-N 1 0 330.406 1.509 20 5 EDBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1csc([N+](=O)[O-])c1 ZINC000366190575 446072611 /nfs/dbraw/zinc/07/26/11/446072611.db2.gz HOLAJOCLQKLWDF-GFCCVEGCSA-N 1 0 325.390 1.639 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366197117 446077715 /nfs/dbraw/zinc/07/77/15/446077715.db2.gz ANXXFBQGAFBBPK-OAHLLOKOSA-N 1 0 333.388 1.886 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cccc1[N+](=O)[O-] ZINC000351480520 446080895 /nfs/dbraw/zinc/08/08/95/446080895.db2.gz VNTVXFXGUIZHEP-XUXIUFHCSA-N 1 0 332.404 1.899 20 5 EDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000362021660 446158404 /nfs/dbraw/zinc/15/84/04/446158404.db2.gz ZMDMSRMNDQXEOH-LSDHHAIUSA-N 1 0 337.376 1.707 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365542360 446246994 /nfs/dbraw/zinc/24/69/94/446246994.db2.gz ZCGBOIBCIXKXGQ-JQFCIGGWSA-N 1 0 345.399 1.916 20 5 EDBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)Cn1cc([N+](=O)[O-])nc1C)c1ccco1 ZINC000359541845 446282422 /nfs/dbraw/zinc/28/24/22/446282422.db2.gz LPDPFDIKVIIKBV-WCQYABFASA-N 1 0 349.391 1.938 20 5 EDBDRO COCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CC=CCC1 ZINC000362251738 446286743 /nfs/dbraw/zinc/28/67/43/446286743.db2.gz YVJDWOXPNGPFEX-ZBFHGGJFSA-N 1 0 338.408 1.457 20 5 EDBDRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000374292677 446360929 /nfs/dbraw/zinc/36/09/29/446360929.db2.gz FFYSQYCVTYMVJI-UHFFFAOYSA-N 1 0 339.417 1.844 20 5 EDBDRO CCc1cc(N2CCO[C@@H](C[NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420243469 446429484 /nfs/dbraw/zinc/42/94/84/446429484.db2.gz PZRWRCPZGYQJQZ-HNNXBMFYSA-N 1 0 343.387 1.778 20 5 EDBDRO Cc1c(CNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000418081400 446434510 /nfs/dbraw/zinc/43/45/10/446434510.db2.gz OALKEGJSPOWRAG-OAHLLOKOSA-N 1 0 347.419 1.092 20 5 EDBDRO COC[C@]1(CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCC[NH2+]1 ZINC000420259165 446436930 /nfs/dbraw/zinc/43/69/30/446436930.db2.gz YMEJAAFLVYOEIV-OAHLLOKOSA-N 1 0 333.348 1.825 20 5 EDBDRO O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000370759623 446420330 /nfs/dbraw/zinc/42/03/30/446420330.db2.gz NOGGOLUWBLNGEL-HOCLYGCPSA-N 1 0 333.388 1.826 20 5 EDBDRO Nc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000370760839 446421114 /nfs/dbraw/zinc/42/11/14/446421114.db2.gz UCDAJQFOJMSPQM-ZFWWWQNUSA-N 1 0 348.403 1.408 20 5 EDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000376382197 446464696 /nfs/dbraw/zinc/46/46/96/446464696.db2.gz CLLIFCYZWDKCSY-GFCCVEGCSA-N 1 0 329.360 1.652 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c([N+](=O)[O-])c1 ZINC000367018867 446465999 /nfs/dbraw/zinc/46/59/99/446465999.db2.gz DEUPIOZPWVAJCU-KBPBESRZSA-N 1 0 346.387 1.184 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000420308666 446472141 /nfs/dbraw/zinc/47/21/41/446472141.db2.gz NQWKVTPZUNENTA-KCPJHIHWSA-N 1 0 339.417 1.038 20 5 EDBDRO CC(C)(NC(=O)NCCCN1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418302658 446491097 /nfs/dbraw/zinc/49/10/97/446491097.db2.gz UAZAXUZTGIGNGO-UHFFFAOYSA-N 1 0 349.435 1.424 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000367072329 446502163 /nfs/dbraw/zinc/50/21/63/446502163.db2.gz FQZJJWDYHRDCNE-AAEUAGOBSA-N 1 0 345.396 1.532 20 5 EDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418483952 446561381 /nfs/dbraw/zinc/56/13/81/446561381.db2.gz ZMUSQPOCMGWJTN-KGLIPLIRSA-N 1 0 347.419 1.554 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000375041450 446536034 /nfs/dbraw/zinc/53/60/34/446536034.db2.gz QJNBUUVVAWARIF-BBRMVZONSA-N 1 0 332.404 1.949 20 5 EDBDRO CC1(C)C[NH2+]CC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420365386 446545609 /nfs/dbraw/zinc/54/56/09/446545609.db2.gz PYEVUYHUEVNTAG-AWEZNQCLSA-N 1 0 341.433 1.346 20 5 EDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418450682 446547410 /nfs/dbraw/zinc/54/74/10/446547410.db2.gz DYKRBGRNRMTTML-ABAIWWIYSA-N 1 0 334.376 1.495 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000420414641 446587697 /nfs/dbraw/zinc/58/76/97/446587697.db2.gz FLNSRURLUPRCFH-NEPJUHHUSA-N 1 0 327.406 1.760 20 5 EDBDRO O=C(NCC[C@H]1CCC[NH2+]1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418554416 446591925 /nfs/dbraw/zinc/59/19/25/446591925.db2.gz VENQAULDLMRSLP-GFCCVEGCSA-N 1 0 334.376 1.510 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C[C@@H]21 ZINC000375233253 446659362 /nfs/dbraw/zinc/65/93/62/446659362.db2.gz JPMHKKIOIUPPBZ-HZMBPMFUSA-N 1 0 329.360 1.774 20 5 EDBDRO C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000423723940 446661063 /nfs/dbraw/zinc/66/10/63/446661063.db2.gz GUIBFHSXAQALEW-DOMZBBRYSA-N 1 0 348.403 1.139 20 5 EDBDRO COc1ccc(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)cc1[N+](=O)[O-] ZINC000423723054 446661087 /nfs/dbraw/zinc/66/10/87/446661087.db2.gz KZPKVKXAUHZJKW-LLVKDONJSA-N 1 0 346.347 1.199 20 5 EDBDRO Cc1c(CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)cccc1[N+](=O)[O-] ZINC000423816492 446705315 /nfs/dbraw/zinc/70/53/15/446705315.db2.gz XWKWZQPIGANACC-CYBMUJFWSA-N 1 0 344.375 1.349 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000619254559 450435692 /nfs/dbraw/zinc/43/56/92/450435692.db2.gz MVIOVTLYMIUMSS-HNNXBMFYSA-N 1 0 341.795 1.777 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@]1(N2CCOCC2)CCCOC1 ZINC000368286396 446760531 /nfs/dbraw/zinc/76/05/31/446760531.db2.gz SOEDZCSBJKJHMN-GOSISDBHSA-N 1 0 349.431 1.874 20 5 EDBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000371542463 446924035 /nfs/dbraw/zinc/92/40/35/446924035.db2.gz KSPWXXRYXURZKV-WDEREUQCSA-N 1 0 347.400 1.956 20 5 EDBDRO C[C@H]1C[C@H](C[NH3+])CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000442758411 446954172 /nfs/dbraw/zinc/95/41/72/446954172.db2.gz AVHFNLIXOQJTJO-VHSXEESVSA-N 1 0 326.784 1.856 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000368652374 447006462 /nfs/dbraw/zinc/00/64/62/447006462.db2.gz LAILJZVGZVABEB-CVEARBPZSA-N 1 0 333.388 1.195 20 5 EDBDRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000419156130 446973511 /nfs/dbraw/zinc/97/35/11/446973511.db2.gz UVIIGXSVIHAKPY-VXGBXAGGSA-N 1 0 348.403 1.358 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000368812310 447124785 /nfs/dbraw/zinc/12/47/85/447124785.db2.gz MVABWAJQCIMKHM-LBPRGKRZSA-N 1 0 343.380 1.593 20 5 EDBDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000375816290 447075291 /nfs/dbraw/zinc/07/52/91/447075291.db2.gz SASGGINKPIUIFY-ZDUSSCGKSA-N 1 0 343.387 1.807 20 5 EDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(CC(N)=O)CC1 ZINC000421353053 447140261 /nfs/dbraw/zinc/14/02/61/447140261.db2.gz RZCXARXKMXANSF-NSHDSACASA-N 1 0 334.376 1.557 20 5 EDBDRO CC(C)(O)C[N@@H+]1CCCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000372590610 447167147 /nfs/dbraw/zinc/16/71/47/447167147.db2.gz DCCPTFSVAQGLMH-UHFFFAOYSA-N 1 0 339.421 1.587 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC2([NH+](C)C)CCC2)c1 ZINC000445732731 447189137 /nfs/dbraw/zinc/18/91/37/447189137.db2.gz KUUIKYMCMURXMW-UHFFFAOYSA-N 1 0 341.433 1.974 20 5 EDBDRO CNc1nc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000455904644 447254427 /nfs/dbraw/zinc/25/44/27/447254427.db2.gz DAQQFXHGFAWRIR-GFCCVEGCSA-N 1 0 335.408 1.739 20 5 EDBDRO CNc1nc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000456009954 447284925 /nfs/dbraw/zinc/28/49/25/447284925.db2.gz KDYKURYANOHVBZ-WCQYABFASA-N 1 0 333.392 1.588 20 5 EDBDRO Cc1nc(N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000450414484 447482233 /nfs/dbraw/zinc/48/22/33/447482233.db2.gz YIIUITATFYBJMT-LBPRGKRZSA-N 1 0 338.412 1.198 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000415519842 447493681 /nfs/dbraw/zinc/49/36/81/447493681.db2.gz KAIAESUGGHRXKL-PWSUYJOCSA-N 1 0 334.376 1.346 20 5 EDBDRO C[C@@H](Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)[C@@H]1CCC[NH2+]C1 ZINC000420162266 447646796 /nfs/dbraw/zinc/64/67/96/447646796.db2.gz KGOLUJJRVWBDQT-NXEZZACHSA-N 1 0 328.394 1.042 20 5 EDBDRO [NH3+][C@H]1CCN(c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)C1 ZINC000420176238 447655969 /nfs/dbraw/zinc/65/59/69/447655969.db2.gz WIEZZDTUFLRBDJ-VIFPVBQESA-N 1 0 335.751 1.332 20 5 EDBDRO CCN(CC)S(=O)(=O)c1ccc(NCCC[NH2+]C)c([N+](=O)[O-])c1 ZINC000420177858 447656786 /nfs/dbraw/zinc/65/67/86/447656786.db2.gz DDDZPPLVOXAKTI-UHFFFAOYSA-N 1 0 344.437 1.647 20 5 EDBDRO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[C@@H]1CCC[NH2+]C1 ZINC000420216619 447673847 /nfs/dbraw/zinc/67/38/47/447673847.db2.gz WZQAQYWVFGXYMW-JTQLQIEISA-N 1 0 328.394 1.044 20 5 EDBDRO [NH3+][C@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)C1CC1 ZINC000420217482 447673879 /nfs/dbraw/zinc/67/38/79/447673879.db2.gz INYLFNOUPZBCFY-GFCCVEGCSA-N 1 0 349.778 1.943 20 5 EDBDRO COCC[NH2+]CCNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420225163 447677684 /nfs/dbraw/zinc/67/76/84/447677684.db2.gz IJRGOTZELPDMHK-UHFFFAOYSA-N 1 0 331.376 1.430 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000422763357 447743661 /nfs/dbraw/zinc/74/36/61/447743661.db2.gz NICPEGQQODTTDL-ZDUSSCGKSA-N 1 0 348.403 1.139 20 5 EDBDRO CO[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000459765711 447758723 /nfs/dbraw/zinc/75/87/23/447758723.db2.gz VPQVYRVJVPMZAM-VNQPRFMTSA-N 1 0 336.388 1.882 20 5 EDBDRO CC1(C)CCC[N@@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000452082329 447812959 /nfs/dbraw/zinc/81/29/59/447812959.db2.gz FGRRHWQYIFAUHA-UHFFFAOYSA-N 1 0 327.406 1.748 20 5 EDBDRO C[C@H]1C[C@@H](O)C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000452072856 447810611 /nfs/dbraw/zinc/81/06/11/447810611.db2.gz WFNKVVUEFJPANG-WCQYABFASA-N 1 0 335.360 1.596 20 5 EDBDRO C[C@H](C[C@H]1CCCO1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569650475 447857908 /nfs/dbraw/zinc/85/79/08/447857908.db2.gz LCQDZOOJPLVDRC-TZMCWYRMSA-N 1 0 342.417 1.916 20 5 EDBDRO CNc1c(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cccc1[N+](=O)[O-] ZINC000452379707 447820224 /nfs/dbraw/zinc/82/02/24/447820224.db2.gz DABUKIPWJIDZDK-GFCCVEGCSA-N 1 0 336.392 1.213 20 5 EDBDRO C[N@@H+]1CCC[C@H](CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000530768677 447953306 /nfs/dbraw/zinc/95/33/06/447953306.db2.gz HIIJRGRLEMJIRM-CYBMUJFWSA-N 1 0 335.408 1.648 20 5 EDBDRO CC1(C)[C@@H]2C[N@H+]([C@@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21 ZINC000525175111 447972878 /nfs/dbraw/zinc/97/28/78/447972878.db2.gz RMQLDACKHGUWKL-HZSPNIEDSA-N 1 0 329.356 1.815 20 5 EDBDRO COc1cc(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000525804794 448028712 /nfs/dbraw/zinc/02/87/12/448028712.db2.gz RDDAAJQLXSHHBF-LLVKDONJSA-N 1 0 337.376 1.684 20 5 EDBDRO CS[C@H](CO)[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000571166051 448115904 /nfs/dbraw/zinc/11/59/04/448115904.db2.gz QNQMVBFBWYPPJF-SCDSUCTJSA-N 1 0 330.406 1.037 20 5 EDBDRO COc1c[nH+]ccc1N1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000527029750 448143309 /nfs/dbraw/zinc/14/33/09/448143309.db2.gz NCGKOAYXRHPMKK-UHFFFAOYSA-N 1 0 345.359 1.299 20 5 EDBDRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000527325705 448210865 /nfs/dbraw/zinc/21/08/65/448210865.db2.gz XJDDRHHTLSBWRX-UHFFFAOYSA-N 1 0 328.394 1.095 20 5 EDBDRO Nc1cc2c(nn1)CCN(Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000559837831 448211657 /nfs/dbraw/zinc/21/16/57/448211657.db2.gz PFGFUMWUNRSJQS-UHFFFAOYSA-N 1 0 325.332 1.402 20 5 EDBDRO CCc1nncn1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000514595559 448167847 /nfs/dbraw/zinc/16/78/47/448167847.db2.gz DDNKMFNVEFYRCE-OLZOCXBDSA-N 1 0 333.396 1.719 20 5 EDBDRO NC(=O)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000591013306 448229906 /nfs/dbraw/zinc/22/99/06/448229906.db2.gz ZCTLODMTTKOVIU-UHFFFAOYSA-N 1 0 334.376 1.653 20 5 EDBDRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000527459311 448230110 /nfs/dbraw/zinc/23/01/10/448230110.db2.gz NTPJRMFFVVPUBV-SNVBAGLBSA-N 1 0 338.339 1.130 20 5 EDBDRO C[N@@H+]1CC[C@@](O)(CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000577225325 448242922 /nfs/dbraw/zinc/24/29/22/448242922.db2.gz OGWIIJQXZVRMNC-CHWSQXEVSA-N 1 0 333.310 1.854 20 5 EDBDRO CNc1nccc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000563720372 448312390 /nfs/dbraw/zinc/31/23/90/448312390.db2.gz BFZWPYSFCYAJGC-CQSZACIVSA-N 1 0 349.435 2.272 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000591310681 448317798 /nfs/dbraw/zinc/31/77/98/448317798.db2.gz BEAOCLGXRZFCDV-UHFFFAOYSA-N 1 0 341.371 2.000 20 5 EDBDRO C[NH+]1CCC(CNc2sccc2[N+](=O)[O-])(N2CCOCC2)CC1 ZINC000591186628 448282480 /nfs/dbraw/zinc/28/24/80/448282480.db2.gz ORMGNFZWCMXFPX-UHFFFAOYSA-N 1 0 340.449 1.865 20 5 EDBDRO CC[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000533089631 448354079 /nfs/dbraw/zinc/35/40/79/448354079.db2.gz VMPRHGSLOAWQNR-UHFFFAOYSA-N 1 0 333.392 1.123 20 5 EDBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591438144 448363268 /nfs/dbraw/zinc/36/32/68/448363268.db2.gz LOMJKAPGYOTKDE-HZPDHXFCSA-N 1 0 346.431 1.615 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)c(Cl)c1 ZINC000572391828 448367736 /nfs/dbraw/zinc/36/77/36/448367736.db2.gz CRDFGOKDCAXMEK-UHFFFAOYSA-N 1 0 345.808 1.765 20 5 EDBDRO COc1ccc(NC(=O)CCN2CC[C@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC000591449301 448368454 /nfs/dbraw/zinc/36/84/54/448368454.db2.gz UTGBDQUXGIDRMA-DOMZBBRYSA-N 1 0 348.403 1.616 20 5 EDBDRO CNc1nccc(C(=O)NCC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000564584582 448333598 /nfs/dbraw/zinc/33/35/98/448333598.db2.gz IQGOZVJWTLCUKT-UHFFFAOYSA-N 1 0 333.392 1.636 20 5 EDBDRO Cc1c(CN2C(=O)N[C@]3(CCCC[C@H]3C[NH3+])C2=O)cccc1[N+](=O)[O-] ZINC000566182555 448408017 /nfs/dbraw/zinc/40/80/17/448408017.db2.gz KOHAIDINKDYEHK-GUYCJALGSA-N 1 0 346.387 1.843 20 5 EDBDRO CN(C(=O)CN1CC2CCC1(C[NH3+])CC2)c1ccc([N+](=O)[O-])cc1 ZINC000516492116 448428343 /nfs/dbraw/zinc/42/83/43/448428343.db2.gz QQLQPUBHUUJNLR-UHFFFAOYSA-N 1 0 332.404 1.761 20 5 EDBDRO CC(C)[N@H+](C)C[C@H](O)Cn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC000516664949 448460679 /nfs/dbraw/zinc/46/06/79/448460679.db2.gz QSNWRZQFHQEIHP-VIFPVBQESA-N 1 0 326.378 1.067 20 5 EDBDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c2nccn21 ZINC000591769922 448486855 /nfs/dbraw/zinc/48/68/55/448486855.db2.gz VAIDMWWZNNWKQH-KYOSRNDESA-N 1 0 332.360 1.827 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CCCC23CC3)c1 ZINC000566500677 448494113 /nfs/dbraw/zinc/49/41/13/448494113.db2.gz POGOBMHLOONISA-CQSZACIVSA-N 1 0 339.417 1.795 20 5 EDBDRO C[N@H+](CCCCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)C1CC1 ZINC000578421810 448539896 /nfs/dbraw/zinc/53/98/96/448539896.db2.gz NRFJXAVHKHJATM-UHFFFAOYSA-N 1 0 342.421 1.529 20 5 EDBDRO COc1c2ccccc2oc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000567700781 448740635 /nfs/dbraw/zinc/74/06/35/448740635.db2.gz RFRZGZZKDVVHRC-GFCCVEGCSA-N 1 0 346.343 1.697 20 5 EDBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2C[C@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000519639225 448808380 /nfs/dbraw/zinc/80/83/80/448808380.db2.gz DCLGELWDWFYLAX-KBPBESRZSA-N 1 0 337.376 1.681 20 5 EDBDRO COc1ccc(CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000592315486 448788830 /nfs/dbraw/zinc/78/88/30/448788830.db2.gz ONXIGKBAILXVKQ-PBWFPOADSA-N 1 0 333.388 1.887 20 5 EDBDRO CC1([NH3+])CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000592328452 448793616 /nfs/dbraw/zinc/79/36/16/448793616.db2.gz HQFCVBSCIDCZIN-UHFFFAOYSA-N 1 0 330.348 1.129 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@H]([NH3+])[C@H](CC)C2)cc([N+](=O)[O-])c1 ZINC000592331733 448794613 /nfs/dbraw/zinc/79/46/13/448794613.db2.gz PDQMZHHNPGABDJ-ABAIWWIYSA-N 1 0 349.387 1.971 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@]1(C)CO ZINC000546810450 448851201 /nfs/dbraw/zinc/85/12/01/448851201.db2.gz PNRLQGASHRRRBE-MRXNPFEDSA-N 1 0 337.376 1.779 20 5 EDBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000547400776 448875551 /nfs/dbraw/zinc/87/55/51/448875551.db2.gz VVVLIRNLJUTMND-UHFFFAOYSA-N 1 0 349.387 1.924 20 5 EDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000592523819 448877184 /nfs/dbraw/zinc/87/71/84/448877184.db2.gz QXCPHTPAKZRXRP-NSHDSACASA-N 1 0 340.811 1.800 20 5 EDBDRO COc1ccc(NC(=O)[C@@H](C)N2CCC(C)([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000592485007 448857165 /nfs/dbraw/zinc/85/71/65/448857165.db2.gz MXVQQIBHROUKLL-LLVKDONJSA-N 1 0 336.392 1.744 20 5 EDBDRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592488525 448859001 /nfs/dbraw/zinc/85/90/01/448859001.db2.gz LAIRUAJRYFHSOH-CYBMUJFWSA-N 1 0 327.768 1.585 20 5 EDBDRO O=C(NCc1cccc(CN2CCOCC2)c1)c1c[nH]nc1[N+](=O)[O-] ZINC000548083557 448980285 /nfs/dbraw/zinc/98/02/85/448980285.db2.gz OXCKWGJYMQOYLP-UHFFFAOYSA-N 1 0 345.359 1.080 20 5 EDBDRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000588868819 448943454 /nfs/dbraw/zinc/94/34/54/448943454.db2.gz GTJJRWMBGGOFAG-LBPRGKRZSA-N 1 0 327.768 1.435 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1C ZINC000589929550 449083231 /nfs/dbraw/zinc/08/32/31/449083231.db2.gz JYYZDNAPPFBWGB-TZMCWYRMSA-N 1 0 339.417 1.536 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000589929923 449084476 /nfs/dbraw/zinc/08/44/76/449084476.db2.gz OJMUCFDZJKFQIM-DGCLKSJQSA-N 1 0 325.390 1.228 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000597858514 449126479 /nfs/dbraw/zinc/12/64/79/449126479.db2.gz MHKDBQMRUPUNFY-SNVBAGLBSA-N 1 0 335.360 1.926 20 5 EDBDRO C[NH+](C)CC1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000599980139 449135838 /nfs/dbraw/zinc/13/58/38/449135838.db2.gz VZSWEFYHYSTAQV-UHFFFAOYSA-N 1 0 347.350 1.553 20 5 EDBDRO CN1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCC1=O ZINC000595772044 449156967 /nfs/dbraw/zinc/15/69/67/449156967.db2.gz HCPLQIXFWSJCBI-UHFFFAOYSA-N 1 0 348.359 1.057 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2C[C@@H](O)C23CCC3)cc1 ZINC000595779234 449160763 /nfs/dbraw/zinc/16/07/63/449160763.db2.gz AVJXZPXSQVUAIU-UONOGXRCSA-N 1 0 340.401 1.262 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)[C@@H]2C1 ZINC000590443004 449164435 /nfs/dbraw/zinc/16/44/35/449164435.db2.gz CXGIYGIYMLZSNQ-ZWNOBZJWSA-N 1 0 333.344 1.142 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000590447624 449168680 /nfs/dbraw/zinc/16/86/80/449168680.db2.gz ZLQWVRMNQPXSLQ-MEBBXXQBSA-N 1 0 342.355 1.625 20 5 EDBDRO COC(=O)[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]2CCCC[C@@H]12 ZINC000595736898 449138814 /nfs/dbraw/zinc/13/88/14/449138814.db2.gz NWKNTVWLKXMWFZ-MJBXVCDLSA-N 1 0 336.392 1.845 20 5 EDBDRO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCc2ccc(F)cc21 ZINC000593114619 449141831 /nfs/dbraw/zinc/14/18/31/449141831.db2.gz CGEMSJQAFZWHJX-MLGOLLRUSA-N 1 0 348.378 1.953 20 5 EDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000590402257 449148474 /nfs/dbraw/zinc/14/84/74/449148474.db2.gz BPLAFVNUOSGWND-OCCSQVGLSA-N 1 0 343.387 1.945 20 5 EDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590402599 449149653 /nfs/dbraw/zinc/14/96/53/449149653.db2.gz BAKKMSLOVKABRJ-CMPLNLGQSA-N 1 0 335.360 1.531 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC000595757586 449150755 /nfs/dbraw/zinc/15/07/55/449150755.db2.gz KSDDAUUWTPVNGI-SJKOYZFVSA-N 1 0 349.387 1.900 20 5 EDBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000604239846 449196861 /nfs/dbraw/zinc/19/68/61/449196861.db2.gz PKAQBPIGMQDJMG-UONOGXRCSA-N 1 0 329.360 1.828 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595863059 449214989 /nfs/dbraw/zinc/21/49/89/449214989.db2.gz KCSUEGQBIXNLNH-MRXNPFEDSA-N 1 0 335.404 1.634 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000590563991 449192343 /nfs/dbraw/zinc/19/23/43/449192343.db2.gz BJZFLWRDZHWMCF-CVEARBPZSA-N 1 0 333.388 1.459 20 5 EDBDRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000598065007 449225699 /nfs/dbraw/zinc/22/56/99/449225699.db2.gz SXOQPYMNUGCFJC-UHFFFAOYSA-N 1 0 344.375 1.355 20 5 EDBDRO CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ncc[nH]1 ZINC000611236930 449231115 /nfs/dbraw/zinc/23/11/15/449231115.db2.gz CAYIPTQNVLQISO-UHFFFAOYSA-N 1 0 331.332 1.748 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601958286 449244829 /nfs/dbraw/zinc/24/48/29/449244829.db2.gz ZVWCEXOBSQXFJL-QGZVFWFLSA-N 1 0 329.356 1.394 20 5 EDBDRO COc1cc(OCC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC000601973113 449254988 /nfs/dbraw/zinc/25/49/88/449254988.db2.gz CJMCFODMZQEBKI-CALCHBBNSA-N 1 0 349.387 1.440 20 5 EDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000595924971 449256434 /nfs/dbraw/zinc/25/64/34/449256434.db2.gz LHVHHZLVRAPDFX-ZDUSSCGKSA-N 1 0 344.375 1.431 20 5 EDBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000593882114 449260304 /nfs/dbraw/zinc/26/03/04/449260304.db2.gz CLMLQLDEDLQICL-UHFFFAOYSA-N 1 0 349.387 1.924 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000593904147 449274134 /nfs/dbraw/zinc/27/41/34/449274134.db2.gz NDKXSAJCDHSQJF-HNNXBMFYSA-N 1 0 343.387 1.630 20 5 EDBDRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000590765567 449285854 /nfs/dbraw/zinc/28/58/54/449285854.db2.gz GPVHWLKOWMTQGG-UHFFFAOYSA-N 1 0 328.394 1.143 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)[C@@H]2C1 ZINC000590765303 449286212 /nfs/dbraw/zinc/28/62/12/449286212.db2.gz DJKYLFUIFVEPRI-CZUORRHYSA-N 1 0 341.371 1.557 20 5 EDBDRO C[C@H]1CN(CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000593443466 449286750 /nfs/dbraw/zinc/28/67/50/449286750.db2.gz IVQAKJWTDOIQKB-NSHDSACASA-N 1 0 325.340 1.113 20 5 EDBDRO C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000595982604 449296829 /nfs/dbraw/zinc/29/68/29/449296829.db2.gz JVSSIGGFBBGYJI-IUODEOHRSA-N 1 0 348.403 1.232 20 5 EDBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCCC1 ZINC000593529192 449326621 /nfs/dbraw/zinc/32/66/21/449326621.db2.gz ZJRINODGMVSIHN-UHFFFAOYSA-N 1 0 328.394 1.143 20 5 EDBDRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593529458 449326937 /nfs/dbraw/zinc/32/69/37/449326937.db2.gz BEZNVMZPUWXALU-NSHDSACASA-N 1 0 328.394 1.000 20 5 EDBDRO CC(C)[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)[NH+]1CCOCC1 ZINC000611525483 449321520 /nfs/dbraw/zinc/32/15/20/449321520.db2.gz VXYVZSZIOHCFLK-HNNXBMFYSA-N 1 0 338.408 1.438 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cnccc2C(F)(F)F)c1 ZINC000596070178 449346733 /nfs/dbraw/zinc/34/67/33/449346733.db2.gz PFDSECANAZYVNM-LLVKDONJSA-N 1 0 345.281 1.356 20 5 EDBDRO C[NH+]1CCN(c2ccc(CNc3cc[nH]c(=O)c3[N+](=O)[O-])cn2)CC1 ZINC000596069078 449346747 /nfs/dbraw/zinc/34/67/47/449346747.db2.gz JQOHLIDBQZCHKF-UHFFFAOYSA-N 1 0 344.375 1.454 20 5 EDBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596131868 449379374 /nfs/dbraw/zinc/37/93/74/449379374.db2.gz DXNZVSMCCFNXEU-NSHDSACASA-N 1 0 342.421 1.529 20 5 EDBDRO O=C([C@@H]1C[N@@H+]2CCC[C@H]2CO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602125985 449365315 /nfs/dbraw/zinc/36/53/15/449365315.db2.gz UUQUOCASRHPAKI-RDJZCZTQSA-N 1 0 345.399 1.949 20 5 EDBDRO COc1cc(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000602167759 449398271 /nfs/dbraw/zinc/39/82/71/449398271.db2.gz AZILJFCQFSIHNV-TXEJJXNPSA-N 1 0 349.387 1.969 20 5 EDBDRO CC[NH+](CC)CC(=O)N[C@@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000600541166 449432579 /nfs/dbraw/zinc/43/25/79/449432579.db2.gz OLJBQKQTORPSGA-MRXNPFEDSA-N 1 0 337.376 1.441 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594202827 449389381 /nfs/dbraw/zinc/38/93/81/449389381.db2.gz SKAPYYHMTMQGTM-UONOGXRCSA-N 1 0 335.408 1.623 20 5 EDBDRO CC(C)(CO)[NH+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611705755 449389524 /nfs/dbraw/zinc/38/95/24/449389524.db2.gz HIQHGKXGGWKSBP-UHFFFAOYSA-N 1 0 331.376 1.431 20 5 EDBDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000598536635 449452778 /nfs/dbraw/zinc/45/27/78/449452778.db2.gz UXPZXJGHLQKVGF-NSHDSACASA-N 1 0 337.380 1.033 20 5 EDBDRO O=[N+]([O-])c1c(N[C@@H]2CC[N@H+](CC3CC3)C2)ncnc1N1CCOCC1 ZINC000598595960 449482606 /nfs/dbraw/zinc/48/26/06/449482606.db2.gz MGTMATPJPNCNHR-CYBMUJFWSA-N 1 0 348.407 1.118 20 5 EDBDRO CC[NH+]1CCC(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CC1 ZINC000598597438 449483735 /nfs/dbraw/zinc/48/37/35/449483735.db2.gz RGKSNGCULJSXQL-UHFFFAOYSA-N 1 0 341.433 1.974 20 5 EDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598664277 449526908 /nfs/dbraw/zinc/52/69/08/449526908.db2.gz CRLXYGMQTCSQLO-HFAKWTLXSA-N 1 0 349.391 1.219 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598667470 449529565 /nfs/dbraw/zinc/52/95/65/449529565.db2.gz IOJABLQCVVAROL-BNLOLNQZSA-N 1 0 346.387 1.053 20 5 EDBDRO CCOc1cc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000598669626 449530327 /nfs/dbraw/zinc/53/03/27/449530327.db2.gz KFTBOIDRCDRGQU-DIFFPNOSSA-N 1 0 349.387 1.956 20 5 EDBDRO [NH3+][C@]12CCC[C@H]1CN(CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000598681516 449539847 /nfs/dbraw/zinc/53/98/47/449539847.db2.gz GMFHOMXKHNUDEG-SJCJKPOMSA-N 1 0 346.387 1.706 20 5 EDBDRO C[C@@H]1CN(CCNc2ncnc3ccc([N+](=O)[O-])cc32)[C@H](C)CO1 ZINC000596427295 449496717 /nfs/dbraw/zinc/49/67/17/449496717.db2.gz FIRWTGGDPNHEEW-VXGBXAGGSA-N 1 0 331.376 2.059 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598634063 449508960 /nfs/dbraw/zinc/50/89/60/449508960.db2.gz LNFVQIQPLIJXEG-GFCCVEGCSA-N 1 0 336.396 1.118 20 5 EDBDRO Cc1ccc([C@H](C)NCc2cn([C@H]3CC[NH2+]C3)nn2)cc1[N+](=O)[O-] ZINC000600712706 449510485 /nfs/dbraw/zinc/51/04/85/449510485.db2.gz ZRRPDWYYRPMVJX-WFASDCNBSA-N 1 0 330.392 1.880 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c1C ZINC000598726323 449566952 /nfs/dbraw/zinc/56/69/52/449566952.db2.gz RVNAMMDTKQDJLM-SWLSCSKDSA-N 1 0 339.417 1.714 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC2(CCOC2)CC1 ZINC000612110665 449568225 /nfs/dbraw/zinc/56/82/25/449568225.db2.gz SUEAEIMLXLSMBV-AWEZNQCLSA-N 1 0 336.388 1.837 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c1C ZINC000598720610 449562013 /nfs/dbraw/zinc/56/20/13/449562013.db2.gz PXAUJCHOQISDAB-DOMZBBRYSA-N 1 0 339.417 1.714 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1OC(F)F ZINC000594604135 449590767 /nfs/dbraw/zinc/59/07/67/449590767.db2.gz RJLCZHWDGGTXLR-WDEREUQCSA-N 1 0 329.303 1.451 20 5 EDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCc2nc[nH]c2C1 ZINC000596667712 449596035 /nfs/dbraw/zinc/59/60/35/449596035.db2.gz WIHALBGRZCWDDK-NSHDSACASA-N 1 0 329.360 1.651 20 5 EDBDRO C[C@H]1CC[C@@H](Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])C[NH2+]1 ZINC000600955045 449615435 /nfs/dbraw/zinc/61/54/35/449615435.db2.gz IXYPAVMQPTZENV-GXTWGEPZSA-N 1 0 348.403 1.620 20 5 EDBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000600967088 449622122 /nfs/dbraw/zinc/62/21/22/449622122.db2.gz XMDKJJBDPRYSPX-GFCCVEGCSA-N 1 0 339.367 1.821 20 5 EDBDRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602528154 449651097 /nfs/dbraw/zinc/65/10/97/449651097.db2.gz POOYGAGZUAXBKU-KRWDZBQOSA-N 1 0 348.447 1.670 20 5 EDBDRO C[NH2+]CCOCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602542899 449663582 /nfs/dbraw/zinc/66/35/82/449663582.db2.gz AIIPPDNCHDZHSO-UHFFFAOYSA-N 1 0 346.181 1.323 20 5 EDBDRO C[C@H]1CN(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000602544027 449665344 /nfs/dbraw/zinc/66/53/44/449665344.db2.gz HFKSNOGZLNFGPR-AWEZNQCLSA-N 1 0 349.435 1.269 20 5 EDBDRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594766838 449680272 /nfs/dbraw/zinc/68/02/72/449680272.db2.gz DJVMBOBISRJXOL-UHFFFAOYSA-N 1 0 340.405 1.239 20 5 EDBDRO CN1CC[NH+](CC2CN(c3c4ccccc4ncc3[N+](=O)[O-])C2)CC1 ZINC000599105869 449737838 /nfs/dbraw/zinc/73/78/38/449737838.db2.gz HWFWLVJVELWTMG-UHFFFAOYSA-N 1 0 341.415 1.827 20 5 EDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000601161303 449725433 /nfs/dbraw/zinc/72/54/33/449725433.db2.gz GLAJZCVIUVLKNH-BDAKNGLRSA-N 1 0 349.313 1.256 20 5 EDBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000601176659 449734652 /nfs/dbraw/zinc/73/46/52/449734652.db2.gz KTSASKCIAYKLLW-CQSZACIVSA-N 1 0 333.392 1.405 20 5 EDBDRO COCC[N@H+](C)CCN1C[C@@H](Nc2ccsc2[N+](=O)[O-])CC1=O ZINC000601177979 449736027 /nfs/dbraw/zinc/73/60/27/449736027.db2.gz GSRIOKSNSXFJJQ-NSHDSACASA-N 1 0 342.421 1.247 20 5 EDBDRO COCCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000612576545 449782084 /nfs/dbraw/zinc/78/20/84/449782084.db2.gz YWABFSOPBBOZQZ-UHFFFAOYSA-N 1 0 335.404 1.878 20 5 EDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000601185480 449739809 /nfs/dbraw/zinc/73/98/09/449739809.db2.gz VQDZUNWUQGXOFU-BDAKNGLRSA-N 1 0 333.314 1.735 20 5 EDBDRO C[C@H](Cc1cnn(C)c1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602684322 449748279 /nfs/dbraw/zinc/74/82/79/449748279.db2.gz OMWGCVAVKQOUME-CYBMUJFWSA-N 1 0 344.419 1.913 20 5 EDBDRO NC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602722475 449767847 /nfs/dbraw/zinc/76/78/47/449767847.db2.gz DYGDOERHMFVTGD-IZLXSQMJSA-N 1 0 334.195 1.772 20 5 EDBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601319566 449828132 /nfs/dbraw/zinc/82/81/32/449828132.db2.gz OXTYQRFGSNAADH-LBPRGKRZSA-N 1 0 337.351 1.717 20 5 EDBDRO [NH3+][C@@H]1CCCCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000601325059 449834015 /nfs/dbraw/zinc/83/40/15/449834015.db2.gz YXRQUXPUDXANPT-CQSZACIVSA-N 1 0 332.404 1.687 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000601348137 449860372 /nfs/dbraw/zinc/86/03/72/449860372.db2.gz RAGVKFSFJUDKDD-AOOOYVTPSA-N 1 0 345.808 1.682 20 5 EDBDRO [NH3+]C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCCCCC1 ZINC000595107949 449872682 /nfs/dbraw/zinc/87/26/82/449872682.db2.gz IRLNUALLJXRPQX-UHFFFAOYSA-N 1 0 328.394 1.320 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000595121352 449882471 /nfs/dbraw/zinc/88/24/71/449882471.db2.gz YJZUFRFMMIESIX-GFCCVEGCSA-N 1 0 339.417 1.856 20 5 EDBDRO CC[N@H+]1[C@H](C)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000602874865 449882573 /nfs/dbraw/zinc/88/25/73/449882573.db2.gz UWGINJVAUDRICB-QLFBSQMISA-N 1 0 337.420 1.749 20 5 EDBDRO CCN(C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000595130012 449887966 /nfs/dbraw/zinc/88/79/66/449887966.db2.gz IHKKGBRIKIEFMJ-CQSZACIVSA-N 1 0 348.403 1.784 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000601341880 449851028 /nfs/dbraw/zinc/85/10/28/449851028.db2.gz LRBXZKFAHWJPJY-PWSUYJOCSA-N 1 0 343.380 1.415 20 5 EDBDRO NS(=O)(=O)c1c(NCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000609111610 449960603 /nfs/dbraw/zinc/96/06/03/449960603.db2.gz QLZYQSGJPUXVMW-UHFFFAOYSA-N 1 0 328.394 1.140 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC2([NH+](C)C)CC2)c1C ZINC000601450404 449973366 /nfs/dbraw/zinc/97/33/66/449973366.db2.gz VXPPRDHHCWHHIY-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000595258050 449982063 /nfs/dbraw/zinc/98/20/63/449982063.db2.gz RAPQGNGRYKFNJW-OAHLLOKOSA-N 1 0 345.359 1.481 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000599464800 449996331 /nfs/dbraw/zinc/99/63/31/449996331.db2.gz TWQDKYDSCRSKHL-ZDUSSCGKSA-N 1 0 339.417 1.890 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601556101 450070280 /nfs/dbraw/zinc/07/02/80/450070280.db2.gz JPCCABAMNYPTTG-PWSUYJOCSA-N 1 0 333.344 1.538 20 5 EDBDRO COc1cc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000601556601 450071155 /nfs/dbraw/zinc/07/11/55/450071155.db2.gz MAMDZNAHFCXZAE-WCQYABFASA-N 1 0 349.387 1.826 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000599635938 450118470 /nfs/dbraw/zinc/11/84/70/450118470.db2.gz MHZVLMILVOVXSC-YSVLISHTSA-N 1 0 336.388 1.429 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCC2)[C@@H](F)C1 ZINC000597576589 450120263 /nfs/dbraw/zinc/12/02/63/450120263.db2.gz VYBPUXZXQGNDJP-KBPBESRZSA-N 1 0 337.351 1.862 20 5 EDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000610160486 450148878 /nfs/dbraw/zinc/14/88/78/450148878.db2.gz QPCUENGRVYTURN-LLVKDONJSA-N 1 0 342.421 1.020 20 5 EDBDRO CN1CCOC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599703044 450165555 /nfs/dbraw/zinc/16/55/55/450165555.db2.gz XCHZFXFMVLDOIM-JTQLQIEISA-N 1 0 328.756 1.700 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000595471739 450166744 /nfs/dbraw/zinc/16/67/44/450166744.db2.gz PHODAJQGWNCMLZ-CYBMUJFWSA-N 1 0 336.392 1.887 20 5 EDBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000597654213 450173077 /nfs/dbraw/zinc/17/30/77/450173077.db2.gz PRRJQHADRJFQRP-QMMMGPOBSA-N 1 0 335.282 1.266 20 5 EDBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1c(F)cccc1[N+](=O)[O-])CCO2 ZINC000601647944 450138969 /nfs/dbraw/zinc/13/89/69/450138969.db2.gz DOKVZMDFJYQGCQ-UHFFFAOYSA-N 1 0 337.351 1.671 20 5 EDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000610447608 450222356 /nfs/dbraw/zinc/22/23/56/450222356.db2.gz VCGATYWNWZMBTK-UHFFFAOYSA-N 1 0 343.387 1.816 20 5 EDBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000595569063 450239463 /nfs/dbraw/zinc/23/94/63/450239463.db2.gz ZQFKWCYFWKTKNB-ZDUSSCGKSA-N 1 0 338.412 1.211 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H]3[C@H]3COCC[C@H]3O)nc2c1 ZINC000619622775 450286068 /nfs/dbraw/zinc/28/60/68/450286068.db2.gz MZXUSKVHDLXICB-DAXOMENPSA-N 1 0 346.387 1.833 20 5 EDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1ccc(N3CCCC3)c([N+](=O)[O-])c1)C2 ZINC000618920964 450341089 /nfs/dbraw/zinc/34/10/89/450341089.db2.gz MIQFEPMAQBMDNZ-UHFFFAOYSA-N 1 0 344.415 1.973 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000619483167 450486352 /nfs/dbraw/zinc/48/63/52/450486352.db2.gz WHFFEFLAOYJSET-NSHDSACASA-N 1 0 343.405 1.318 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)n1 ZINC000595256783 490995257 /nfs/dbraw/zinc/99/52/57/490995257.db2.gz DXAPLHJYYUIPFC-AWEZNQCLSA-N 1 0 345.359 1.724 20 5 EDBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000184411943 533915936 /nfs/dbraw/zinc/91/59/36/533915936.db2.gz VSYONQOWDPRUQE-GFCCVEGCSA-N 1 0 338.383 1.490 20 5 EDBDRO COc1ccccc1C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000174740249 534069423 /nfs/dbraw/zinc/06/94/23/534069423.db2.gz SWDAKRRXUNIILU-MRXNPFEDSA-N 1 0 346.387 1.825 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cnn(C)c2C)c([N+](=O)[O-])c1 ZINC000183308647 534081660 /nfs/dbraw/zinc/08/16/60/534081660.db2.gz GKSKESINCVYCBQ-SNVBAGLBSA-N 1 0 347.375 1.935 20 5 EDBDRO CC(C)(C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)n1cc([N+](=O)[O-])cn1 ZINC000261838533 534376332 /nfs/dbraw/zinc/37/63/32/534376332.db2.gz ZUBVUBYTLDUXBA-UHFFFAOYSA-N 1 0 347.350 1.950 20 5 EDBDRO CC[N@H+](CCc1nccs1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000159336639 528608793 /nfs/dbraw/zinc/60/87/93/528608793.db2.gz VGXYBNCJZDGRQL-LBPRGKRZSA-N 1 0 325.394 1.173 20 5 EDBDRO CC[C@H]1CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000174604945 529282181 /nfs/dbraw/zinc/28/21/81/529282181.db2.gz JJIBVHOHMFRZIR-HIFRSBDPSA-N 1 0 335.404 1.820 20 5 EDBDRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 ZINC000270521199 535196358 /nfs/dbraw/zinc/19/63/58/535196358.db2.gz RDQLWTOTJCUSPA-UHFFFAOYSA-N 1 0 349.435 1.554 20 5 EDBDRO CC(C)[NH+]1CCN(C2CCN(c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000270504262 535196396 /nfs/dbraw/zinc/19/63/96/535196396.db2.gz VENPKPANOOECNL-UHFFFAOYSA-N 1 0 333.436 1.985 20 5 EDBDRO C[NH+](C)CCOCCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000352638040 535899755 /nfs/dbraw/zinc/89/97/55/535899755.db2.gz QYALKLWFHKZPFT-UHFFFAOYSA-N 1 0 347.318 1.504 20 5 EDBDRO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000263683251 536006472 /nfs/dbraw/zinc/00/64/72/536006472.db2.gz HMUHRGMVYZKMNG-CYBMUJFWSA-N 1 0 343.387 1.885 20 5 EDBDRO COc1ccc(NC(=O)CN2C[C@H](C)[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000270637630 536770866 /nfs/dbraw/zinc/77/08/66/536770866.db2.gz IEGOCNUWFVENRG-XHDPSFHLSA-N 1 0 336.392 1.424 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000727108368 578518830 /nfs/dbraw/zinc/51/88/30/578518830.db2.gz AVAOQHQZCUBDJF-OAHLLOKOSA-N 1 0 343.387 1.641 20 5 EDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000733166498 578745543 /nfs/dbraw/zinc/74/55/43/578745543.db2.gz QSVUMGPMJWNVOK-ZDUSSCGKSA-N 1 0 337.376 1.489 20 5 EDBDRO C[C@H]1C[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000751923605 579828122 /nfs/dbraw/zinc/82/81/22/579828122.db2.gz ALSSWKSABQYLQS-TXEJJXNPSA-N 1 0 332.360 1.909 20 5 EDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@]2(O)CCOC2)ccc1N1CCCCC1 ZINC000754839953 579914022 /nfs/dbraw/zinc/91/40/22/579914022.db2.gz LIJQUUKMSFBPOV-QGZVFWFLSA-N 1 0 335.404 1.826 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)OCC[N@H+](C)Cc1ccc(F)cc1 ZINC000769130142 580229444 /nfs/dbraw/zinc/22/94/44/580229444.db2.gz HTPCXEITGYUIQC-UHFFFAOYSA-N 1 0 336.323 1.756 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000769231856 580231765 /nfs/dbraw/zinc/23/17/65/580231765.db2.gz IACWEYFHSDECTP-UHFFFAOYSA-N 1 0 330.772 1.684 20 5 EDBDRO CC(=O)N1CCC([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000769464427 580237659 /nfs/dbraw/zinc/23/76/59/580237659.db2.gz WYKLMGCLMXBTPC-ZDUSSCGKSA-N 1 0 333.392 1.487 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000776589482 580422848 /nfs/dbraw/zinc/42/28/48/580422848.db2.gz SLQINZMTYBAREK-SJORKVTESA-N 1 0 335.404 1.425 20 5 EDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000780600424 580528238 /nfs/dbraw/zinc/52/82/38/580528238.db2.gz NGYRVJJMEUDDQO-LBPRGKRZSA-N 1 0 333.392 1.524 20 5 EDBDRO O=C(CC[N@@H+](CCCO)C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782495506 580576197 /nfs/dbraw/zinc/57/61/97/580576197.db2.gz GVDZQEZIEMYPLE-UHFFFAOYSA-N 1 0 325.340 1.909 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782626143 580580979 /nfs/dbraw/zinc/58/09/79/580580979.db2.gz ZHLHKGPUHSBPSS-MEDUHNTESA-N 1 0 335.360 1.246 20 5 EDBDRO C[NH+]1CCC(CNC(=S)NNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000790607293 580773723 /nfs/dbraw/zinc/77/37/23/580773723.db2.gz HPLUAHZHMXDQHA-UHFFFAOYSA-N 1 0 341.412 1.867 20 5 EDBDRO NC(=O)c1ccc(COC(=O)C2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000801875118 581087010 /nfs/dbraw/zinc/08/70/10/581087010.db2.gz ORDCBXSPGVFCHG-UHFFFAOYSA-N 1 0 347.371 1.611 20 5 EDBDRO COCCOC[C@@H]1CC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892133256 590815951 /nfs/dbraw/zinc/81/59/51/590815951.db2.gz MUUCNDDUNZQCBY-GFCCVEGCSA-N 1 0 340.376 1.794 20 5 EDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891448552 591075541 /nfs/dbraw/zinc/07/55/41/591075541.db2.gz QXOFXRJQQFPJKM-NSHDSACASA-N 1 0 328.319 1.639 20 5 EDBDRO CC1([NH3+])CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000841221422 591434693 /nfs/dbraw/zinc/43/46/93/591434693.db2.gz CCISPXUPOBQHGI-UHFFFAOYSA-N 1 0 340.767 1.527 20 5 EDBDRO C[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000896533499 591498912 /nfs/dbraw/zinc/49/89/12/591498912.db2.gz OVMZIEJMAWBOCD-XHDPSFHLSA-N 1 0 338.383 1.027 20 5 EDBDRO C[NH+](C)C[C@]1(O)CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000895010966 591521411 /nfs/dbraw/zinc/52/14/11/591521411.db2.gz YYQQWYWXRNWLHQ-GFCCVEGCSA-N 1 0 334.298 1.511 20 5 EDBDRO Cc1c(CNC(=O)C2C[NH+](C3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000897547374 591546208 /nfs/dbraw/zinc/54/62/08/591546208.db2.gz SRXIOOUTAWUCDT-UHFFFAOYSA-N 1 0 333.388 1.630 20 5 EDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000899121026 591690003 /nfs/dbraw/zinc/69/00/03/591690003.db2.gz ADUXWEUUPZUOBA-LBPRGKRZSA-N 1 0 331.376 1.520 20 5 EDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)C1C[NH+](C2CCOCC2)C1 ZINC000897241643 591782550 /nfs/dbraw/zinc/78/25/50/591782550.db2.gz OXHKDOZVOFRVPE-UHFFFAOYSA-N 1 0 333.388 1.364 20 5 EDBDRO O=C1O[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)CC12CC[NH2+]CC2 ZINC000900359517 591994667 /nfs/dbraw/zinc/99/46/67/591994667.db2.gz BSOBKHYDSXJOTJ-SNVBAGLBSA-N 1 0 341.314 1.970 20 5 EDBDRO C[C@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000900380480 592002119 /nfs/dbraw/zinc/00/21/19/592002119.db2.gz MGWIMIAWSZATQG-HOCLYGCPSA-N 1 0 348.447 1.848 20 5 EDBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000900396353 592007177 /nfs/dbraw/zinc/00/71/77/592007177.db2.gz PPLYGVQOUKZLFX-NWDGAFQWSA-N 1 0 332.360 1.597 20 5 EDBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900659954 592083800 /nfs/dbraw/zinc/08/38/00/592083800.db2.gz QTVDNSXJFATMEE-SNVBAGLBSA-N 1 0 344.774 1.363 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC[N@@H+]1C ZINC000906797344 592348331 /nfs/dbraw/zinc/34/83/31/592348331.db2.gz HIOMTSWYLOFSBF-VXGBXAGGSA-N 1 0 349.387 1.969 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CCC[C@@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000903863435 592349526 /nfs/dbraw/zinc/34/95/26/592349526.db2.gz LXJIVGIGQNMCOW-KRWDZBQOSA-N 1 0 348.403 1.760 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000905568165 592568727 /nfs/dbraw/zinc/56/87/27/592568727.db2.gz SFYFNAFRSOXAIF-KBRIMQKVSA-N 1 0 336.388 1.883 20 5 EDBDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000911868343 593024528 /nfs/dbraw/zinc/02/45/28/593024528.db2.gz NXYJUBOMSNXWDK-IAQYHMDHSA-N 1 0 332.360 1.298 20 5 EDBDRO CC(C)C[NH2+]C1(CO)CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000912596873 593107411 /nfs/dbraw/zinc/10/74/11/593107411.db2.gz VQLOZQASBSKTJD-UHFFFAOYSA-N 1 0 349.431 1.736 20 5 EDBDRO CCN(C[C@H](C)OC)CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840077431 593118227 /nfs/dbraw/zinc/11/82/27/593118227.db2.gz MUXKUVQUIZYISQ-LRDDRELGSA-N 1 0 337.376 1.846 20 5 EDBDRO C[NH+](C)C[C@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000782946787 593130939 /nfs/dbraw/zinc/13/09/39/593130939.db2.gz FIJFIXHBJBNPFI-SNVBAGLBSA-N 1 0 347.462 1.838 20 5 EDBDRO CC[C@@H]1C[N@H+](C)CCN1CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840090487 593164684 /nfs/dbraw/zinc/16/46/84/593164684.db2.gz GIXFOICYLNQBKD-CXAGYDPISA-N 1 0 348.403 1.516 20 5 EDBDRO CN(CC1CC[NH+](C)CC1)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000804431057 593414363 /nfs/dbraw/zinc/41/43/63/593414363.db2.gz JNPUMTFNRLHWAU-UHFFFAOYSA-N 1 0 347.419 1.563 20 5 EDBDRO C[C@H](C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000761665942 593420082 /nfs/dbraw/zinc/42/00/82/593420082.db2.gz VYSGBYMLYPTPIO-RCBQFDQVSA-N 1 0 333.388 1.678 20 5 EDBDRO COc1cc(C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000812330411 593497517 /nfs/dbraw/zinc/49/75/17/593497517.db2.gz RAXRIDXQRBUILE-GXTWGEPZSA-N 1 0 333.388 1.936 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000816920708 593558671 /nfs/dbraw/zinc/55/86/71/593558671.db2.gz ZHFVESJHJSZYOP-NSHDSACASA-N 1 0 340.811 1.614 20 5 EDBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000817131918 593573879 /nfs/dbraw/zinc/57/38/79/593573879.db2.gz VLLHRNDVKZHSPA-NSHDSACASA-N 1 0 333.392 1.316 20 5 EDBDRO C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C[NH3+] ZINC000818009327 593656915 /nfs/dbraw/zinc/65/69/15/593656915.db2.gz POYXZSFFRVEXEA-WDEREUQCSA-N 1 0 325.340 1.556 20 5 EDBDRO Cc1c(C(=O)N2CC[C@](C)(C[NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818594353 593706506 /nfs/dbraw/zinc/70/65/06/593706506.db2.gz MEJZJQHFBKVOFS-OAHLLOKOSA-N 1 0 336.348 1.931 20 5 EDBDRO CN(C)C(=O)C1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000819068273 593737055 /nfs/dbraw/zinc/73/70/55/593737055.db2.gz KANJXZRACGWQGG-HNNXBMFYSA-N 1 0 335.404 1.866 20 5 EDBDRO CC1(C)OC[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000819155668 593741892 /nfs/dbraw/zinc/74/18/92/593741892.db2.gz OYPGVQGELYBDTK-GXTWGEPZSA-N 1 0 326.349 1.076 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCCCS2(=O)=O)cc1 ZINC000819221751 593745064 /nfs/dbraw/zinc/74/50/64/593745064.db2.gz NSYVKNVMBQBWEF-KBPBESRZSA-N 1 0 328.390 1.185 20 5 EDBDRO Cc1cc(N2CCC([NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000819253458 593746787 /nfs/dbraw/zinc/74/67/87/593746787.db2.gz FHELHVQQOQHHKY-INIZCTEOSA-N 1 0 345.403 1.918 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H]([NH3+])C(C)C)c1 ZINC000842723459 593763234 /nfs/dbraw/zinc/76/32/34/593763234.db2.gz DMERWOUOPWTPRB-VIFPVBQESA-N 1 0 335.813 1.818 20 5 EDBDRO Nc1ccc(NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000823933378 593889923 /nfs/dbraw/zinc/88/99/23/593889923.db2.gz PQVOHNFDWPZWGK-LBPRGKRZSA-N 1 0 337.380 1.145 20 5 EDBDRO C[NH+](C)CC1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC000821009892 593944439 /nfs/dbraw/zinc/94/44/39/593944439.db2.gz GESSCEAAARWCCZ-UHFFFAOYSA-N 1 0 330.747 1.603 20 5 EDBDRO C/C(=C/C(=O)N[C@@H](CO)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000840453663 594005115 /nfs/dbraw/zinc/00/51/15/594005115.db2.gz KILIJDVRJLNELC-SYCZXOQXSA-N 1 0 347.415 1.961 20 5 EDBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825505593 594194016 /nfs/dbraw/zinc/19/40/16/594194016.db2.gz NELXPWFYULVWPP-CJNGLKHVSA-N 1 0 335.404 1.865 20 5 EDBDRO C[N@@H+]1CCCC12CCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000828364666 594402058 /nfs/dbraw/zinc/40/20/58/594402058.db2.gz IKTRTZXJXCHTKO-HNNXBMFYSA-N 1 0 333.388 1.715 20 5 EDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@]1(O)CCc2ccccc21 ZINC000829366677 594602388 /nfs/dbraw/zinc/60/23/88/594602388.db2.gz OZNJVRGBTOLBPV-SFHVURJKSA-N 1 0 343.383 1.522 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000827328874 594661530 /nfs/dbraw/zinc/66/15/30/594661530.db2.gz FQZWWPLFOQINFG-TZMCWYRMSA-N 1 0 349.387 1.535 20 5 EDBDRO CCO[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1OC)C[NH+](C)C ZINC000831717518 594695645 /nfs/dbraw/zinc/69/56/45/594695645.db2.gz CRLOKKCZXRHMHF-NSHDSACASA-N 1 0 325.365 1.300 20 5 EDBDRO CCO[C@@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000831731218 594697169 /nfs/dbraw/zinc/69/71/69/594697169.db2.gz MBGFSUDRDYLYBD-YPMHNXCESA-N 1 0 341.383 1.920 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)[C@H]3CCCOC3)CC2)cc1 ZINC000840961327 594833116 /nfs/dbraw/zinc/83/31/16/594833116.db2.gz AJCPZZKYOWFZHD-KSSFIOAISA-N 1 0 349.431 1.941 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000841157916 594860178 /nfs/dbraw/zinc/86/01/78/594860178.db2.gz KIITXEKVBWXGPL-JTQLQIEISA-N 1 0 338.339 1.178 20 5 EDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841224233 594872068 /nfs/dbraw/zinc/87/20/68/594872068.db2.gz KJSMERCPKZNTKB-DTWKUNHWSA-N 1 0 340.767 1.573 20 5 EDBDRO O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000841293538 594882235 /nfs/dbraw/zinc/88/22/35/594882235.db2.gz CGZXQSNLHARCHZ-VIFPVBQESA-N 1 0 340.767 1.445 20 5 EDBDRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841936164 594985498 /nfs/dbraw/zinc/98/54/98/594985498.db2.gz FQMKIDLIDGOICM-ZDUSSCGKSA-N 1 0 333.392 1.178 20 5 EDBDRO O=C(Cc1noc(C[C@@H]2CCC[NH2+]2)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000843223426 595043149 /nfs/dbraw/zinc/04/31/49/595043149.db2.gz DGSJWYHNYHTGAH-LBPRGKRZSA-N 1 0 345.359 1.131 20 5 EDBDRO CC(C)(C[NH+]1CCCC1)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000837171534 595049575 /nfs/dbraw/zinc/04/95/75/595049575.db2.gz DMEYKZYEXBCQQQ-UHFFFAOYSA-N 1 0 345.403 1.935 20 5 EDBDRO COc1ccc([C@H]2[C@H](COC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[N@@H+]2C)cc1 ZINC000842305699 595072810 /nfs/dbraw/zinc/07/28/10/595072810.db2.gz AGVYEJNWVZPWQG-XZDPQHSOSA-N 1 0 334.372 1.896 20 5 EDBDRO C[NH2+]C1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000843351722 595083864 /nfs/dbraw/zinc/08/38/64/595083864.db2.gz ZHILKBPDAGIEFS-UHFFFAOYSA-N 1 0 326.784 1.871 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000842485001 595120592 /nfs/dbraw/zinc/12/05/92/595120592.db2.gz HFFYJDACOHTPAU-CQSZACIVSA-N 1 0 325.390 1.420 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC2(CC[NH2+]2)CC1 ZINC000842512132 595124080 /nfs/dbraw/zinc/12/40/80/595124080.db2.gz KQJLFPTYZKCNNI-UHFFFAOYSA-N 1 0 329.360 1.299 20 5 EDBDRO CC1([NH3+])CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000834589962 595169935 /nfs/dbraw/zinc/16/99/35/595169935.db2.gz ZFELDZZRKHBDIJ-UHFFFAOYSA-N 1 0 348.403 1.385 20 5 EDBDRO C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000842726605 595182462 /nfs/dbraw/zinc/18/24/62/595182462.db2.gz KGBPWAABQRPNPT-WCBMZHEXSA-N 1 0 333.797 1.606 20 5 EDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000844040483 595254521 /nfs/dbraw/zinc/25/45/21/595254521.db2.gz NFMQEAKRDRMKAL-YSKGHYERSA-N 1 0 346.387 1.186 20 5 EDBDRO Cc1ccccc1[C@H](O)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000843072936 595281024 /nfs/dbraw/zinc/28/10/24/595281024.db2.gz FILDBTXZRWUTIG-CRAIPNDOSA-N 1 0 346.383 1.966 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2COc3ccccc3[C@H]2O)cc1 ZINC000843118330 595291364 /nfs/dbraw/zinc/29/13/64/595291364.db2.gz YFHIUSPQAFRNAZ-BFYDXBDKSA-N 1 0 330.340 1.712 20 5 EDBDRO [NH3+]CC12CCC(CC1)CN2C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000846681097 595300457 /nfs/dbraw/zinc/30/04/57/595300457.db2.gz OYADJFVTQKABAV-UHFFFAOYSA-N 1 0 334.332 1.847 20 5 EDBDRO CCN1C[C@@H](C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)OC1=O ZINC000846826340 595322068 /nfs/dbraw/zinc/32/20/68/595322068.db2.gz OFTPSDDSAGYIHP-DGCLKSJQSA-N 1 0 335.364 1.317 20 5 EDBDRO [NH3+]C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(F)(F)F ZINC000848439815 595379650 /nfs/dbraw/zinc/37/96/50/595379650.db2.gz ZQMPQLPHDQLJDX-SECBINFHSA-N 1 0 325.218 1.119 20 5 EDBDRO O=C1C[C@@]2(CC[N@@H+](Cn3cc(-c4ccccc4[N+](=O)[O-])cn3)C2)CN1 ZINC000848486059 595392486 /nfs/dbraw/zinc/39/24/86/595392486.db2.gz BMLZHWVSZLZQFZ-KRWDZBQOSA-N 1 0 341.371 1.628 20 5 EDBDRO C[N@H+]1C[C@H]2CN(C(=O)C(F)(F)Oc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000848592876 595412570 /nfs/dbraw/zinc/41/25/70/595412570.db2.gz QKZYYEIHLWICDP-PHIMTYICSA-N 1 0 341.314 1.586 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000849378759 595516582 /nfs/dbraw/zinc/51/65/82/595516582.db2.gz HHBYRZVTWVOHFZ-MNOVXSKESA-N 1 0 328.394 1.141 20 5 EDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765711 595600224 /nfs/dbraw/zinc/60/02/24/595600224.db2.gz JUAHBPCVBIQCKU-NXEZZACHSA-N 1 0 329.303 1.762 20 5 EDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000115585864 595604872 /nfs/dbraw/zinc/60/48/72/595604872.db2.gz RMVXHJZIJVOAFL-LLVKDONJSA-N 1 0 345.396 1.696 20 5 EDBDRO CCS(=O)(=O)C1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000853116087 595669710 /nfs/dbraw/zinc/66/97/10/595669710.db2.gz GDJXRDSDHAAQBX-CYBMUJFWSA-N 1 0 328.390 1.185 20 5 EDBDRO O=[N+]([O-])c1cn(CN2CC[C@H]([NH+]3CC=CC3)C2)nc1-c1ccccn1 ZINC000853497609 595769474 /nfs/dbraw/zinc/76/94/74/595769474.db2.gz CRCDSDHRTUSPBG-AWEZNQCLSA-N 1 0 340.387 1.757 20 5 EDBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OCC[NH+]1CCCCC1 ZINC000858973401 595936967 /nfs/dbraw/zinc/93/69/67/595936967.db2.gz SUVREHVFLOVWDQ-UHFFFAOYSA-N 1 0 349.387 1.744 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000852009262 596006333 /nfs/dbraw/zinc/00/63/33/596006333.db2.gz LDIQMFCLRSQJFD-SJLPKXTDSA-N 1 0 349.431 1.815 20 5 EDBDRO Cc1cc(F)cc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c1[N+](=O)[O-] ZINC000854352951 596047662 /nfs/dbraw/zinc/04/76/62/596047662.db2.gz NXJJSLYHVDDXDG-ZDUSSCGKSA-N 1 0 336.367 1.162 20 5 EDBDRO C[C@H]1CC[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[NH2+]1 ZINC000861685857 596068121 /nfs/dbraw/zinc/06/81/21/596068121.db2.gz RPBOJRLXCQWHCY-KBPBESRZSA-N 1 0 347.419 1.567 20 5 EDBDRO O=C(CC[NH2+][C@H]1C[C@@H](O)C12CCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000852581331 596204963 /nfs/dbraw/zinc/20/49/63/596204963.db2.gz KMIAYLPMLOKBCF-UONOGXRCSA-N 1 0 337.351 1.956 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000852707673 596230851 /nfs/dbraw/zinc/23/08/51/596230851.db2.gz IPWJPGNULGYUAP-IRXDYDNUSA-N 1 0 335.404 1.159 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]CCC1(C)C ZINC000866804717 596355853 /nfs/dbraw/zinc/35/58/53/596355853.db2.gz PBBUZJWZUCCEKE-UHFFFAOYSA-N 1 0 327.406 1.666 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866825041 596366808 /nfs/dbraw/zinc/36/68/08/596366808.db2.gz OZXFIAGEHLHODC-DZGCQCFKSA-N 1 0 339.417 1.293 20 5 EDBDRO C[C@@](N)(C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000870892287 596392966 /nfs/dbraw/zinc/39/29/66/596392966.db2.gz SGJOKYZVZLMCQV-KDOFPFPSSA-N 1 0 346.431 1.713 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000867812740 596564388 /nfs/dbraw/zinc/56/43/88/596564388.db2.gz LUBRANTWCGSMEG-SWLSCSKDSA-N 1 0 339.417 1.618 20 5 EDBDRO C[NH+](C)CCOC1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865535579 596603730 /nfs/dbraw/zinc/60/37/30/596603730.db2.gz RLWUPMRHPDZVLR-UHFFFAOYSA-N 1 0 341.383 1.773 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000871813472 596709254 /nfs/dbraw/zinc/70/92/54/596709254.db2.gz SALLBNMGMPYKNW-SMDDNHRTSA-N 1 0 325.390 1.133 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000871815175 596710353 /nfs/dbraw/zinc/71/03/53/596710353.db2.gz PEWFTOHIOBIGMR-SWLSCSKDSA-N 1 0 339.417 1.442 20 5 EDBDRO C[NH+](C)CC1CN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000866017751 596759789 /nfs/dbraw/zinc/75/97/89/596759789.db2.gz DWTYMSCCRPTZMR-UHFFFAOYSA-N 1 0 329.303 1.586 20 5 EDBDRO Cn1c2cc([N+](=O)[O-])c(N3CC[N@H+](C)C(C)(C)CC3)cc2n(C)c1=O ZINC000866113293 596792551 /nfs/dbraw/zinc/79/25/51/596792551.db2.gz YWQJDLIWYHDLTA-UHFFFAOYSA-N 1 0 347.419 1.706 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000874169924 596950030 /nfs/dbraw/zinc/95/00/30/596950030.db2.gz QRRHHJJYCAROJR-JSGCOSHPSA-N 1 0 346.387 1.394 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000872779058 597064116 /nfs/dbraw/zinc/06/41/16/597064116.db2.gz DKHNFKVXKNJJNB-UONOGXRCSA-N 1 0 329.360 1.917 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000874841881 597194693 /nfs/dbraw/zinc/19/46/93/597194693.db2.gz FIIPTVLYGLWMBM-ZIAGYGMSSA-N 1 0 349.387 1.677 20 5 EDBDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000876702864 597294347 /nfs/dbraw/zinc/29/43/47/597294347.db2.gz GFFJDMPYXDXJIU-FZMZJTMJSA-N 1 0 327.768 1.631 20 5 EDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1ccc(-n3ccnc3)c([N+](=O)[O-])c1)C2 ZINC000877374498 597504118 /nfs/dbraw/zinc/50/41/18/597504118.db2.gz BAYZPVJTPFNOMG-SUMWQHHRSA-N 1 0 341.371 1.462 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC[C@H]21 ZINC000879576696 597639967 /nfs/dbraw/zinc/63/99/67/597639967.db2.gz XDGSEWPGHRVZMU-GDBMZVCRSA-N 1 0 344.415 1.510 20 5 EDBDRO CN1CC[NH+](C2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000879592057 597649162 /nfs/dbraw/zinc/64/91/62/597649162.db2.gz COFCBXMMBHYCSA-UHFFFAOYSA-N 1 0 348.447 1.685 20 5 EDBDRO C[C@@H](C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000881865562 597762170 /nfs/dbraw/zinc/76/21/70/597762170.db2.gz DJYOZEQOQFDMNP-QMMMGPOBSA-N 1 0 330.182 1.924 20 5 EDBDRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000879997143 597803392 /nfs/dbraw/zinc/80/33/92/597803392.db2.gz GOKMYZHIXCPCLI-NSHDSACASA-N 1 0 327.768 1.435 20 5 EDBDRO COc1ccc(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000880588183 597972844 /nfs/dbraw/zinc/97/28/44/597972844.db2.gz DJVOASLBNOHIMA-CQSZACIVSA-N 1 0 336.388 1.967 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000881352174 598131837 /nfs/dbraw/zinc/13/18/37/598131837.db2.gz CPGQHFSOXXJBKA-UHFFFAOYSA-N 1 0 336.783 1.293 20 5 EDBDRO CCC[NH+]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000915280999 695778662 /nfs/dbraw/zinc/77/86/62/695778662.db2.gz CXZBREVWEQBFRS-UHFFFAOYSA-N 1 0 331.376 1.499 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000915621613 695958108 /nfs/dbraw/zinc/95/81/08/695958108.db2.gz LMNBQMZUKWCYHL-CQSZACIVSA-N 1 0 336.392 1.307 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2CC([NH+](C)C)C2)cc1F ZINC000916907670 696819616 /nfs/dbraw/zinc/81/96/16/696819616.db2.gz OAHMXFMFFGBQCR-UHFFFAOYSA-N 1 0 331.369 1.413 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000917655897 697055956 /nfs/dbraw/zinc/05/59/56/697055956.db2.gz UKIHXHYYJUVVNC-OLZOCXBDSA-N 1 0 339.417 1.808 20 5 EDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CCc2cccs2)CC1 ZINC001005383871 708821092 /nfs/dbraw/zinc/82/10/92/708821092.db2.gz XBPUFUKJVQKFCB-HUUCEWRRSA-N 1 0 337.445 1.879 20 5 EDBDRO O=C(NCc1ccc(C[NH2+]CC2CCOCC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034816637 711199472 /nfs/dbraw/zinc/19/94/72/711199472.db2.gz SNNTYASHUMJBOJ-IAGOWNOFSA-N 1 0 347.415 1.484 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000173757206 231025240 /nfs/dbraw/zinc/02/52/40/231025240.db2.gz QAMMNYLDLVQMCJ-HOTGVXAUSA-N 1 0 348.428 1.942 20 5 EDBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181545096 529865440 /nfs/dbraw/zinc/86/54/40/529865440.db2.gz GCWVNHWVWYJVRN-UHFFFAOYSA-N 1 0 335.360 1.737 20 5 EDBDRO CNC(=O)CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000154733197 529852764 /nfs/dbraw/zinc/85/27/64/529852764.db2.gz YSRSTCWHOAVGEQ-LBPRGKRZSA-N 1 0 336.392 1.688 20 5 EDBDRO C[N@@H+](Cc1ccc(Cl)nc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174583131 529985761 /nfs/dbraw/zinc/98/57/61/529985761.db2.gz HLNJALYMIHZDCO-GFCCVEGCSA-N 1 0 325.756 1.333 20 5 EDBDRO C[NH+]1CCC(CCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000184382467 530049112 /nfs/dbraw/zinc/04/91/12/530049112.db2.gz HCULQWQWQKQTGS-UHFFFAOYSA-N 1 0 341.433 1.746 20 5 EDBDRO Cc1cc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000178091461 232079613 /nfs/dbraw/zinc/07/96/13/232079613.db2.gz CNYMNPRSDNRLAC-CYBMUJFWSA-N 1 0 348.403 1.280 20 5 EDBDRO Nc1c(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000178201944 232106359 /nfs/dbraw/zinc/10/63/59/232106359.db2.gz JOSPPNFQYMOQSI-LBPRGKRZSA-N 1 0 348.403 1.408 20 5 EDBDRO COC(=O)c1cc(C(=O)N(C)CC[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000103119833 219256848 /nfs/dbraw/zinc/25/68/48/219256848.db2.gz HOFUIPYQZSUILG-UHFFFAOYSA-N 1 0 335.360 1.549 20 5 EDBDRO Cc1c(NC(=O)CC[N@H+](CC(N)=O)CC(C)C)cccc1[N+](=O)[O-] ZINC000067962927 215260882 /nfs/dbraw/zinc/26/08/82/215260882.db2.gz FKEQCIUOXMHDGZ-UHFFFAOYSA-N 1 0 336.392 1.675 20 5 EDBDRO C[C@@H]1CCC[C@@H](C)N1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000562999039 306315210 /nfs/dbraw/zinc/31/52/10/306315210.db2.gz GNSNOJRIVVTELZ-NFAWXSAZSA-N 1 0 325.413 1.005 20 5 EDBDRO Cc1c([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cnn1C ZINC000183472093 235096870 /nfs/dbraw/zinc/09/68/70/235096870.db2.gz XPNKYTXEMHSMFX-WCQYABFASA-N 1 0 334.376 1.727 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CCC(CC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000563276049 306325864 /nfs/dbraw/zinc/32/58/64/306325864.db2.gz WSFLBXGQDZFGPH-UHFFFAOYSA-N 1 0 341.433 1.961 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)c(C)cc1[N+](=O)[O-] ZINC000563445356 306333629 /nfs/dbraw/zinc/33/36/29/306333629.db2.gz CGPPVVBPYKVUGS-CYBMUJFWSA-N 1 0 341.433 1.880 20 5 EDBDRO O=C1NCCN1C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000052217180 138137768 /nfs/dbraw/zinc/13/77/68/138137768.db2.gz KSPJXCONHJYORV-UHFFFAOYSA-N 1 0 334.376 1.463 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000068527723 138195536 /nfs/dbraw/zinc/19/55/36/138195536.db2.gz KWQMDWRTZUAVOQ-CYBMUJFWSA-N 1 0 335.408 1.705 20 5 EDBDRO C[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C2(CCCCC2)C1 ZINC000081801898 138267551 /nfs/dbraw/zinc/26/75/51/138267551.db2.gz FFFMLPBENKZZPB-UHFFFAOYSA-N 1 0 335.408 1.658 20 5 EDBDRO Cc1sc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000123939351 138322541 /nfs/dbraw/zinc/32/25/41/138322541.db2.gz AEDVFHFSYXVMAM-JTQLQIEISA-N 1 0 333.435 1.679 20 5 EDBDRO O=C1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]2CCCCN12 ZINC000563708948 306345732 /nfs/dbraw/zinc/34/57/32/306345732.db2.gz YUMFLDFDQCAIOA-BPUTZDHNSA-N 1 0 349.387 1.078 20 5 EDBDRO COc1cc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000033426096 212938365 /nfs/dbraw/zinc/93/83/65/212938365.db2.gz UNMDNSFRRVGIPY-INIZCTEOSA-N 1 0 335.360 1.438 20 5 EDBDRO [NH3+][C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000129187165 223030805 /nfs/dbraw/zinc/03/08/05/223030805.db2.gz CUCBEMDHDIRGKB-NSHDSACASA-N 1 0 328.166 1.824 20 5 EDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1C ZINC000262795453 291194733 /nfs/dbraw/zinc/19/47/33/291194733.db2.gz TVNJUYNZZFCVBL-RKDXNWHRSA-N 1 0 333.797 1.619 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186527832 138817546 /nfs/dbraw/zinc/81/75/46/138817546.db2.gz YPJSMMJSMTVGRF-NSHDSACASA-N 1 0 334.332 1.860 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H](O)Cn1ccnn1)C1CC1 ZINC000414172718 304104093 /nfs/dbraw/zinc/10/40/93/304104093.db2.gz FDSHNLPNYPIHFR-HUUCEWRRSA-N 1 0 331.376 1.158 20 5 EDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000565779792 306391509 /nfs/dbraw/zinc/39/15/09/306391509.db2.gz ZJQJCYNIMDAGNE-GHMZBOCLSA-N 1 0 331.376 1.851 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000363938220 284068255 /nfs/dbraw/zinc/06/82/55/284068255.db2.gz NRKKKZUFQJLPOC-NEPJUHHUSA-N 1 0 347.371 1.723 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000194957952 139003240 /nfs/dbraw/zinc/00/32/40/139003240.db2.gz UZZUAEUERBGLSO-UHFFFAOYSA-N 1 0 335.404 1.822 20 5 EDBDRO COc1cc(OCC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000237225236 139044903 /nfs/dbraw/zinc/04/49/03/139044903.db2.gz WSHUCEOJQBQLOQ-AAEUAGOBSA-N 1 0 337.376 1.711 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000237316280 139047645 /nfs/dbraw/zinc/04/76/45/139047645.db2.gz XRQUALRERFVVPI-CYBMUJFWSA-N 1 0 341.433 1.832 20 5 EDBDRO COCC[NH2+]CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237334728 139048333 /nfs/dbraw/zinc/04/83/33/139048333.db2.gz XLSXWVJOZGZBPS-UHFFFAOYSA-N 1 0 336.392 1.161 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000237638673 139056558 /nfs/dbraw/zinc/05/65/58/139056558.db2.gz ZICULZAZFUMZBJ-LLVKDONJSA-N 1 0 329.360 1.429 20 5 EDBDRO Cc1nn(CCC(=O)NC[C@@H]([NH3+])c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000237872472 139062492 /nfs/dbraw/zinc/06/24/92/139062492.db2.gz FPCULGJNXULQQC-CQSZACIVSA-N 1 0 331.376 1.614 20 5 EDBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CCN1C[C@H](C)O ZINC000247052207 139133333 /nfs/dbraw/zinc/13/33/33/139133333.db2.gz YPXIDDVRNIFVLD-JQWIXIFHSA-N 1 0 341.433 1.882 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)CCC[NH3+] ZINC000568510083 306483156 /nfs/dbraw/zinc/48/31/56/306483156.db2.gz AQIJHVTZIUCUBR-ONGXEEELSA-N 1 0 326.401 1.071 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000247325903 139144999 /nfs/dbraw/zinc/14/49/99/139144999.db2.gz WNLAMHVTTMMRPE-UKRRQHHQSA-N 1 0 332.404 1.949 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000248453743 139164789 /nfs/dbraw/zinc/16/47/89/139164789.db2.gz KAZGYHYGRJVXMJ-LZWOXQAQSA-N 1 0 336.388 1.835 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248478574 139165768 /nfs/dbraw/zinc/16/57/68/139165768.db2.gz ZKKUCQBDLMDLCK-LSDHHAIUSA-N 1 0 337.420 1.608 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1[N+](=O)[O-] ZINC000248640323 139169536 /nfs/dbraw/zinc/16/95/36/139169536.db2.gz RCRJSUKEMBHOGB-DRZSPHRISA-N 1 0 325.390 1.261 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000415406997 304215333 /nfs/dbraw/zinc/21/53/33/304215333.db2.gz FFRNUSOXINRXLB-ZDUSSCGKSA-N 1 0 348.403 1.656 20 5 EDBDRO C[C@@H](CCO)[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000093303284 218212719 /nfs/dbraw/zinc/21/27/19/218212719.db2.gz XMWUECJXNWOFQH-YOEHRIQHSA-N 1 0 348.403 1.425 20 5 EDBDRO C[C@H]1CC[NH2+][C@@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000261659621 139215305 /nfs/dbraw/zinc/21/53/05/139215305.db2.gz KMEYAWZZTAFCEE-XJKSGUPXSA-N 1 0 332.404 1.632 20 5 EDBDRO CC(C)OC(=O)C[C@@H](NC(=O)C[C@H](C)[NH3+])c1ccccc1[N+](=O)[O-] ZINC000261710060 139219496 /nfs/dbraw/zinc/21/94/96/139219496.db2.gz DIZWPWHTHASKRH-WCQYABFASA-N 1 0 337.376 1.831 20 5 EDBDRO [NH3+]C1(c2noc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)n2)CCC1 ZINC000261718389 139220202 /nfs/dbraw/zinc/22/02/02/139220202.db2.gz JJNMCWNOTMZKFI-UHFFFAOYSA-N 1 0 327.304 1.563 20 5 EDBDRO CN(C)S(=O)(=O)c1ccc(NC2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000261764890 139224177 /nfs/dbraw/zinc/22/41/77/139224177.db2.gz QGQWNLHRZOFLEB-UHFFFAOYSA-N 1 0 342.421 1.527 20 5 EDBDRO C[NH2+]CCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000261973750 139241093 /nfs/dbraw/zinc/24/10/93/139241093.db2.gz QLHHCUZOUNQSTA-UHFFFAOYSA-N 1 0 327.406 1.605 20 5 EDBDRO COc1ccc(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000261975164 139241114 /nfs/dbraw/zinc/24/11/14/139241114.db2.gz ZNNSDIQHLUEOOL-AWEZNQCLSA-N 1 0 343.405 1.271 20 5 EDBDRO CCCc1n[nH]c(C(=O)NC[C@H](CC[NH+](C)C)OCC)c1[N+](=O)[O-] ZINC000268010097 139703434 /nfs/dbraw/zinc/70/34/34/139703434.db2.gz ULKLIKJCKWIHRT-NSHDSACASA-N 1 0 341.412 1.357 20 5 EDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262028365 139245022 /nfs/dbraw/zinc/24/50/22/139245022.db2.gz DQROTUABCYUFSO-GFCCVEGCSA-N 1 0 329.360 1.510 20 5 EDBDRO CC1(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000262391619 139275621 /nfs/dbraw/zinc/27/56/21/139275621.db2.gz ZWOHTTRNVSDWMM-UHFFFAOYSA-N 1 0 327.406 1.800 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(C)CC[NH2+]CC1 ZINC000262418256 139277672 /nfs/dbraw/zinc/27/76/72/139277672.db2.gz DTSTUBLFOAJOKD-UHFFFAOYSA-N 1 0 329.378 1.024 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000262394792 139275893 /nfs/dbraw/zinc/27/58/93/139275893.db2.gz BTHGQRJAQTWKNY-RYUDHWBXSA-N 1 0 325.390 1.133 20 5 EDBDRO C[NH2+]C[C@H]1CCN(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000417723212 251243266 /nfs/dbraw/zinc/24/32/66/251243266.db2.gz WOPBEWKZPABWNX-CQSZACIVSA-N 1 0 349.435 1.956 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000262489324 139282091 /nfs/dbraw/zinc/28/20/91/139282091.db2.gz UJRYQENABUQULX-UHFFFAOYSA-N 1 0 345.403 1.867 20 5 EDBDRO NC(=O)c1nn(Cc2cccc(C[NH+]3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000418967033 251454082 /nfs/dbraw/zinc/45/40/82/251454082.db2.gz RHJNVPLFCKYTPU-UHFFFAOYSA-N 1 0 343.387 1.924 20 5 EDBDRO C[NH2+]C[C@H](C)CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000420185492 251636281 /nfs/dbraw/zinc/63/62/81/251636281.db2.gz BUVSFRHDTIEMAU-LBPRGKRZSA-N 1 0 336.392 1.335 20 5 EDBDRO NC(=O)C1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCOCC1 ZINC000153108546 224059153 /nfs/dbraw/zinc/05/91/53/224059153.db2.gz MKFXWENVSKOXQW-OAHLLOKOSA-N 1 0 347.415 1.788 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415602777 304236702 /nfs/dbraw/zinc/23/67/02/304236702.db2.gz NAARCRYLHMJHPC-QGZVFWFLSA-N 1 0 346.387 1.308 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000423508046 252056968 /nfs/dbraw/zinc/05/69/68/252056968.db2.gz NIDKEFWIOHUCSU-SNVBAGLBSA-N 1 0 327.344 1.640 20 5 EDBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420253583 285102411 /nfs/dbraw/zinc/10/24/11/285102411.db2.gz PWYNJMHCIBFOQK-AWEZNQCLSA-N 1 0 327.388 1.627 20 5 EDBDRO CN(C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)[C@H]1CCC[N@H+](C)C1 ZINC000153596108 224127353 /nfs/dbraw/zinc/12/73/53/224127353.db2.gz RFNFYNZJEYWEOK-LBPRGKRZSA-N 1 0 348.359 1.055 20 5 EDBDRO C[N@@H+]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000097262417 219006679 /nfs/dbraw/zinc/00/66/79/219006679.db2.gz CPBPLJGCAMQOHP-UHFFFAOYSA-N 1 0 329.360 1.558 20 5 EDBDRO COc1cc(OCC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000158455255 533090422 /nfs/dbraw/zinc/09/04/22/533090422.db2.gz BWIIHDMPQSDCMF-DGCLKSJQSA-N 1 0 337.376 1.616 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](O)C2CCOCC2)n1 ZINC000570126906 306530701 /nfs/dbraw/zinc/53/07/01/306530701.db2.gz NWJVBVGEQNQRHS-RBSFLKMASA-N 1 0 338.408 1.652 20 5 EDBDRO COc1cc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000449638491 254643545 /nfs/dbraw/zinc/64/35/45/254643545.db2.gz KWBXIMAFUICZSN-WDEREUQCSA-N 1 0 337.376 1.859 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000263708308 139354511 /nfs/dbraw/zinc/35/45/11/139354511.db2.gz CUXFKNJAOZUSMU-GFCCVEGCSA-N 1 0 341.433 1.770 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000191924370 285221409 /nfs/dbraw/zinc/22/14/09/285221409.db2.gz QSRIRXDKHAXQFU-WBVHZDCISA-N 1 0 329.356 1.876 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415769502 304267258 /nfs/dbraw/zinc/26/72/58/304267258.db2.gz PPLMBELYQCJOAO-QWHCGFSZSA-N 1 0 346.387 1.361 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415769500 304267398 /nfs/dbraw/zinc/26/73/98/304267398.db2.gz PPLMBELYQCJOAO-CHWSQXEVSA-N 1 0 346.387 1.361 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415771762 304267574 /nfs/dbraw/zinc/26/75/74/304267574.db2.gz CARDMPXMVKTTLN-DGCLKSJQSA-N 1 0 332.360 1.052 20 5 EDBDRO COc1ccc([C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000174704747 533195440 /nfs/dbraw/zinc/19/54/40/533195440.db2.gz BYASLXLABLUNSJ-NVXWUHKLSA-N 1 0 346.387 1.902 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000496384456 255390009 /nfs/dbraw/zinc/39/00/09/255390009.db2.gz RAWXBAYTUBBEFV-LBPRGKRZSA-N 1 0 335.360 1.878 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000118130613 221127074 /nfs/dbraw/zinc/12/70/74/221127074.db2.gz OKXZZODWHPIHSX-LLVKDONJSA-N 1 0 334.376 1.441 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000118722718 221172924 /nfs/dbraw/zinc/17/29/24/221172924.db2.gz BUZATIBYLXKUME-UHFFFAOYSA-N 1 0 337.376 1.180 20 5 EDBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000118722473 221173195 /nfs/dbraw/zinc/17/31/95/221173195.db2.gz QERKWRKAVVZBPM-UHFFFAOYSA-N 1 0 341.795 1.825 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118866156 221198473 /nfs/dbraw/zinc/19/84/73/221198473.db2.gz ZJAHBMDDSSZFMR-AWEZNQCLSA-N 1 0 341.371 1.775 20 5 EDBDRO NC(=O)c1cccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118866793 221199089 /nfs/dbraw/zinc/19/90/89/221199089.db2.gz LBAWCOWDBXKNCA-CQSZACIVSA-N 1 0 341.371 1.775 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000570741037 306550153 /nfs/dbraw/zinc/55/01/53/306550153.db2.gz SPQKKFNDRGEVBC-NWDGAFQWSA-N 1 0 327.406 1.569 20 5 EDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000347369086 533382713 /nfs/dbraw/zinc/38/27/13/533382713.db2.gz HJSZNGATQDKYBO-XFXZXTDPSA-N 1 0 339.417 1.751 20 5 EDBDRO COc1ccc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1[N+](=O)[O-] ZINC000174028438 533560079 /nfs/dbraw/zinc/56/00/79/533560079.db2.gz RWEFLQDMHAXXIF-HNNXBMFYSA-N 1 0 335.404 1.900 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000370173281 296499394 /nfs/dbraw/zinc/49/93/94/296499394.db2.gz MXSVGFXNCMZQDF-MWLCHTKSSA-N 1 0 345.808 1.621 20 5 EDBDRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269656856 139967290 /nfs/dbraw/zinc/96/72/90/139967290.db2.gz OTDOFTOIPKJBDV-RDJZCZTQSA-N 1 0 347.415 1.866 20 5 EDBDRO CC(=O)N1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC12CCCCC2 ZINC000270861329 140185234 /nfs/dbraw/zinc/18/52/34/140185234.db2.gz JWSKJYRNEQHXFX-UHFFFAOYSA-N 1 0 335.408 1.658 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000271290888 140272119 /nfs/dbraw/zinc/27/21/19/140272119.db2.gz PHVLZTQTYAOECZ-CQSZACIVSA-N 1 0 335.404 1.971 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000330879798 140941809 /nfs/dbraw/zinc/94/18/09/140941809.db2.gz AZNDPDYYNBRXHT-CYBMUJFWSA-N 1 0 341.433 1.866 20 5 EDBDRO C[NH+](C)CCCCC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000572329347 306585638 /nfs/dbraw/zinc/58/56/38/306585638.db2.gz FHQYSSSUZRWVOR-ZDUSSCGKSA-N 1 0 335.408 1.735 20 5 EDBDRO NC(=O)c1ccc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)c([N+](=O)[O-])c1 ZINC000339764947 142149290 /nfs/dbraw/zinc/14/92/90/142149290.db2.gz VNWAGGFBDSAAOP-DOTOQJQBSA-N 1 0 349.387 1.103 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCC(OCCO)CC3)n2)c1 ZINC000339788669 142157262 /nfs/dbraw/zinc/15/72/62/142157262.db2.gz VOBWTWDKYGBWFY-UHFFFAOYSA-N 1 0 348.359 1.618 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C(N)=O ZINC000346585809 143219186 /nfs/dbraw/zinc/21/91/86/143219186.db2.gz MEWMKQIEDMPBTB-SKDRFNHKSA-N 1 0 331.332 1.198 20 5 EDBDRO Cc1c(C[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)cccc1[N+](=O)[O-] ZINC000346727639 143238408 /nfs/dbraw/zinc/23/84/08/143238408.db2.gz ALXBSFKILMZMPE-DYVFJYSZSA-N 1 0 343.387 1.698 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347229099 143297695 /nfs/dbraw/zinc/29/76/95/143297695.db2.gz JZKJYHQELIXBPG-CYBMUJFWSA-N 1 0 340.355 1.966 20 5 EDBDRO CNc1c(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)cccc1[N+](=O)[O-] ZINC000347238508 143298628 /nfs/dbraw/zinc/29/86/28/143298628.db2.gz RIQAWOMYKGNUEE-LBPRGKRZSA-N 1 0 336.392 1.165 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1[C@H](CO)CC[C@H]1CO ZINC000347294484 143304903 /nfs/dbraw/zinc/30/49/03/143304903.db2.gz DJAFOSIIEDIENK-KBPBESRZSA-N 1 0 337.376 1.049 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)n1 ZINC000347324455 143308617 /nfs/dbraw/zinc/30/86/17/143308617.db2.gz DABMHFGWPPNWQS-NHYWBVRUSA-N 1 0 348.363 1.787 20 5 EDBDRO CC[C@@H](CO)[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000347352167 143312044 /nfs/dbraw/zinc/31/20/44/143312044.db2.gz SDXMPYNKOXIDOO-DOTOQJQBSA-N 1 0 348.403 1.425 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](c3ccncc3)C2)c1 ZINC000347713720 143353046 /nfs/dbraw/zinc/35/30/46/143353046.db2.gz CGGCTNLUHOIVCI-GOEBONIOSA-N 1 0 331.376 1.427 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000347851298 143370359 /nfs/dbraw/zinc/37/03/59/143370359.db2.gz AKDXRSCDQQMICS-CYBMUJFWSA-N 1 0 344.375 1.083 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000348060657 143396495 /nfs/dbraw/zinc/39/64/95/143396495.db2.gz UZSQJPFLGXKGLP-GJZGRUSLSA-N 1 0 339.417 1.651 20 5 EDBDRO Cc1nccn1CCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572631278 306596092 /nfs/dbraw/zinc/59/60/92/306596092.db2.gz GDEHVEIETZYSIM-CQSZACIVSA-N 1 0 334.376 1.519 20 5 EDBDRO C[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000262539295 296561744 /nfs/dbraw/zinc/56/17/44/296561744.db2.gz QVDDWERDJVWBQX-NXEZZACHSA-N 1 0 331.369 1.339 20 5 EDBDRO Cc1ccc([C@H](C)[NH2+]C2CCN(c3nnnn3C)CC2)cc1[N+](=O)[O-] ZINC000369828695 155193601 /nfs/dbraw/zinc/19/36/01/155193601.db2.gz BQKQTECISRHQOO-LBPRGKRZSA-N 1 0 345.407 1.746 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000354716050 149933387 /nfs/dbraw/zinc/93/33/87/149933387.db2.gz UGTGZQSWGJVFPU-GXTWGEPZSA-N 1 0 348.403 1.339 20 5 EDBDRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000354975592 150061939 /nfs/dbraw/zinc/06/19/39/150061939.db2.gz PAPNVGXPVWXXBX-CYBMUJFWSA-N 1 0 343.387 1.804 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)COc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355313135 150211335 /nfs/dbraw/zinc/21/13/35/150211335.db2.gz GQUGOYKFAMSGRF-CVEARBPZSA-N 1 0 349.387 1.295 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000355316918 150214180 /nfs/dbraw/zinc/21/41/80/150214180.db2.gz JVLIVWRXVZGVSA-CABCVRRESA-N 1 0 337.351 1.669 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3C)[C@@H]2C1 ZINC000355340394 150223429 /nfs/dbraw/zinc/22/34/29/150223429.db2.gz IORSJGNOYUPJDN-HZPDHXFCSA-N 1 0 333.388 1.838 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])cnc3C)[C@@H]2C1 ZINC000355383268 150245805 /nfs/dbraw/zinc/24/58/05/150245805.db2.gz YSFZFHAJZLQLNK-HUUCEWRRSA-N 1 0 334.376 1.233 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3NC)[C@@H]2C1 ZINC000355390076 150249189 /nfs/dbraw/zinc/24/91/89/150249189.db2.gz UHYDLJHPKYBZTI-HUUCEWRRSA-N 1 0 348.403 1.572 20 5 EDBDRO O=C1[C@H](N2CC[C@H]3C[NH2+]C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000357070325 150911852 /nfs/dbraw/zinc/91/18/52/150911852.db2.gz ATINOBDPSOFFNZ-HEHGZKQESA-N 1 0 330.388 1.241 20 5 EDBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357180833 150948690 /nfs/dbraw/zinc/94/86/90/150948690.db2.gz BUVVETBRHQSOCD-UPJWGTAASA-N 1 0 347.419 1.930 20 5 EDBDRO C[NH+](C)Cc1ccc(CNc2nccc(C(N)=O)c2[N+](=O)[O-])cc1F ZINC000357452782 151036885 /nfs/dbraw/zinc/03/68/85/151036885.db2.gz IEVLRKACJIRZQY-UHFFFAOYSA-N 1 0 347.350 1.902 20 5 EDBDRO C[C@]1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCC[C@@H]1O ZINC000573802738 306634955 /nfs/dbraw/zinc/63/49/55/306634955.db2.gz VJDXZYJBCDWGCF-RRQGHBQHSA-N 1 0 338.404 1.865 20 5 EDBDRO Cn1c(-c2nc(CC3=[NH+][C@@H]4CCCC[C@H]4N3)no2)ccc1[N+](=O)[O-] ZINC000357939857 151203396 /nfs/dbraw/zinc/20/33/96/151203396.db2.gz VHIWUIWEDOCVGL-NXEZZACHSA-N 1 0 330.348 1.839 20 5 EDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000357970090 151215519 /nfs/dbraw/zinc/21/55/19/151215519.db2.gz FMWWQKXPWBHJHG-AWEZNQCLSA-N 1 0 334.376 1.593 20 5 EDBDRO C[C@@H](CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)[N@H+](C)C1CC1 ZINC000357998792 151229242 /nfs/dbraw/zinc/22/92/42/151229242.db2.gz DMSVIXXBOIUPME-LBPRGKRZSA-N 1 0 348.403 1.982 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000370049942 155303683 /nfs/dbraw/zinc/30/36/83/155303683.db2.gz LYLSMIBLKGCZMZ-CJNGLKHVSA-N 1 0 332.404 1.868 20 5 EDBDRO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000573834970 306636521 /nfs/dbraw/zinc/63/65/21/306636521.db2.gz JMPFWNWRJUHRKA-BBRMVZONSA-N 1 0 346.387 1.809 20 5 EDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000359201050 151632065 /nfs/dbraw/zinc/63/20/65/151632065.db2.gz AVNUDFCGEZDTCJ-HNNXBMFYSA-N 1 0 343.387 1.995 20 5 EDBDRO C[NH+](C)CCn1nnnc1SCc1ccc(F)cc1[N+](=O)[O-] ZINC000573982075 306640081 /nfs/dbraw/zinc/64/00/81/306640081.db2.gz FHXJSQLICHMSDZ-UHFFFAOYSA-N 1 0 326.357 1.574 20 5 EDBDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000363939904 153102732 /nfs/dbraw/zinc/10/27/32/153102732.db2.gz POQVUDMXQIBILD-KRWDZBQOSA-N 1 0 346.431 1.835 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000364074891 153138433 /nfs/dbraw/zinc/13/84/33/153138433.db2.gz UNRNBRUGKLSEEB-HIFRSBDPSA-N 1 0 349.387 1.031 20 5 EDBDRO CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000364468245 153245823 /nfs/dbraw/zinc/24/58/23/153245823.db2.gz ZALQOYGVMMPIPK-UONOGXRCSA-N 1 0 349.387 1.587 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000364554641 153269026 /nfs/dbraw/zinc/26/90/26/153269026.db2.gz ZAMMUIRGNKXMBT-ZDUSSCGKSA-N 1 0 336.392 1.824 20 5 EDBDRO COc1ccc(CNC(=O)NCCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000417199034 304383828 /nfs/dbraw/zinc/38/38/28/304383828.db2.gz SKRUVCHOHGIHQL-CYBMUJFWSA-N 1 0 336.392 1.935 20 5 EDBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367186603 154033068 /nfs/dbraw/zinc/03/30/68/154033068.db2.gz NXUINBCCMGNUEB-NEPJUHHUSA-N 1 0 333.369 1.622 20 5 EDBDRO CC(C)[C@@]1(CO)CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000368068558 154394807 /nfs/dbraw/zinc/39/48/07/154394807.db2.gz IZVLQTZBKKSVHO-SFHVURJKSA-N 1 0 347.415 1.824 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000371689227 156063743 /nfs/dbraw/zinc/06/37/43/156063743.db2.gz NQVCJHSLUGHKOO-ARFHVFGLSA-N 1 0 349.431 1.893 20 5 EDBDRO COc1cc(C[NH2+]CC2(O)Cc3ccccc3C2)c([N+](=O)[O-])cc1O ZINC000371701522 156069082 /nfs/dbraw/zinc/06/90/82/156069082.db2.gz WDIOQICRXYCZCI-UHFFFAOYSA-N 1 0 344.367 1.929 20 5 EDBDRO Cc1cc(N2CCCN(CC(N)=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000373801037 157010290 /nfs/dbraw/zinc/01/02/90/157010290.db2.gz PBYRREKARKMNJF-UHFFFAOYSA-N 1 0 343.387 1.449 20 5 EDBDRO Nc1c(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000374463610 157299676 /nfs/dbraw/zinc/29/96/76/157299676.db2.gz XQVHKIPMRKSHNN-UONOGXRCSA-N 1 0 326.356 1.744 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2CCOC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000378282446 158127824 /nfs/dbraw/zinc/12/78/24/158127824.db2.gz AMKASALTXWBICR-GFCCVEGCSA-N 1 0 337.376 1.900 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000351897617 161825932 /nfs/dbraw/zinc/82/59/32/161825932.db2.gz MGTPPMIJYVNNGW-NSHDSACASA-N 1 0 329.422 1.830 20 5 EDBDRO COc1cc(CN2CC[NH+](C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000352545431 162244031 /nfs/dbraw/zinc/24/40/31/162244031.db2.gz IMAJJINYDCHCID-OAHLLOKOSA-N 1 0 335.404 1.758 20 5 EDBDRO CO[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)[C@@H](C[NH3+])C1 ZINC000418054994 304452090 /nfs/dbraw/zinc/45/20/90/304452090.db2.gz APIQJNGGACRWJF-ZIAGYGMSSA-N 1 0 336.392 1.551 20 5 EDBDRO O=C(NCCC[C@H]1CCC[NH2+]1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418083249 304455926 /nfs/dbraw/zinc/45/59/26/304455926.db2.gz KSGDDDPRDQWDQM-LLVKDONJSA-N 1 0 346.391 1.803 20 5 EDBDRO COCCC[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171412686 227067804 /nfs/dbraw/zinc/06/78/04/227067804.db2.gz RLUMQWWOKGDEDM-UHFFFAOYSA-N 1 0 335.404 1.754 20 5 EDBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000122404862 222080882 /nfs/dbraw/zinc/08/08/82/222080882.db2.gz CDGSQWILAJUCID-AWEZNQCLSA-N 1 0 348.447 1.907 20 5 EDBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000152807991 287616894 /nfs/dbraw/zinc/61/68/94/287616894.db2.gz BYPZBDIBDOYQDW-OAHLLOKOSA-N 1 0 343.387 1.706 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000237555213 273010740 /nfs/dbraw/zinc/01/07/40/273010740.db2.gz GSZKEWPAGROTNU-YGRLFVJLSA-N 1 0 341.433 1.960 20 5 EDBDRO C[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)[C@H]1c1ccccc1 ZINC000248604545 273016439 /nfs/dbraw/zinc/01/64/39/273016439.db2.gz JSGWSWYGEBJAKV-HUUCEWRRSA-N 1 0 341.371 1.747 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000262752957 273017885 /nfs/dbraw/zinc/01/78/85/273017885.db2.gz HBDONMLQYCJTQX-MNOVXSKESA-N 1 0 327.406 1.528 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1cccs1 ZINC000027678047 267380975 /nfs/dbraw/zinc/38/09/75/267380975.db2.gz RXFVLEUYJPXOKI-LLVKDONJSA-N 1 0 336.373 1.377 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000266171870 273019772 /nfs/dbraw/zinc/01/97/72/273019772.db2.gz JOUYJSVFRDLKAM-SNVBAGLBSA-N 1 0 331.394 1.222 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H](C[NH3+])C2)cc1SC ZINC000274821587 268214950 /nfs/dbraw/zinc/21/49/50/268214950.db2.gz SRLWICFMQYFXFL-SECBINFHSA-N 1 0 341.389 1.125 20 5 EDBDRO CN(CC1([NH+](C)C)CCC1)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000275383032 268333597 /nfs/dbraw/zinc/33/35/97/268333597.db2.gz BSKYMUQAXKYSAP-UHFFFAOYSA-N 1 0 342.421 1.163 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000276010464 268390575 /nfs/dbraw/zinc/39/05/75/268390575.db2.gz HDJZKLZDEPCHSJ-GFCCVEGCSA-N 1 0 346.387 1.608 20 5 EDBDRO Cc1cc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278582799 268685326 /nfs/dbraw/zinc/68/53/26/268685326.db2.gz PBTPYIIJHGNPPL-STQMWFEESA-N 1 0 336.392 1.822 20 5 EDBDRO CC[NH+]1CCC(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000276995762 273174844 /nfs/dbraw/zinc/17/48/44/273174844.db2.gz XXFBSICZDZASFT-UHFFFAOYSA-N 1 0 341.433 1.974 20 5 EDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@](O)(c3nc(C4CC4)no3)C2)cc1 ZINC000277444948 273198275 /nfs/dbraw/zinc/19/82/75/273198275.db2.gz NXFJDZAGQZJMNA-KRWDZBQOSA-N 1 0 344.371 1.991 20 5 EDBDRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278902452 273269350 /nfs/dbraw/zinc/26/93/50/273269350.db2.gz ZNBKNSINGFHYLD-IRXDYDNUSA-N 1 0 346.431 1.902 20 5 EDBDRO C[NH+](C)CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279080702 273278810 /nfs/dbraw/zinc/27/88/10/273278810.db2.gz RWSRYPYIESOVCA-UHFFFAOYSA-N 1 0 334.298 1.974 20 5 EDBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279809353 273328921 /nfs/dbraw/zinc/32/89/21/273328921.db2.gz PRWFPFNZLZQVGN-SOUVJXGZSA-N 1 0 338.404 1.960 20 5 EDBDRO C[C@@H](CO)[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000280576053 273373085 /nfs/dbraw/zinc/37/30/85/273373085.db2.gz SKQMTRWHVOGHSB-XJKSGUPXSA-N 1 0 338.404 1.817 20 5 EDBDRO C[NH+](C)CC1(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCC1 ZINC000280994281 273423551 /nfs/dbraw/zinc/42/35/51/273423551.db2.gz CSYDGBVZAGOTQI-UHFFFAOYSA-N 1 0 344.375 1.390 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NC2(C[NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000281634872 273504801 /nfs/dbraw/zinc/50/48/01/273504801.db2.gz VDFYMIMWIXFISD-UHFFFAOYSA-N 1 0 341.433 1.974 20 5 EDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1(OCCO)CCOCC1 ZINC000281837823 273539889 /nfs/dbraw/zinc/53/98/89/273539889.db2.gz AJUHKGQVBNOXBR-HWKANZROSA-N 1 0 336.388 1.756 20 5 EDBDRO C[NH+](C)[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@H]1O ZINC000359952392 273819673 /nfs/dbraw/zinc/81/96/73/273819673.db2.gz LZWTVPMMDSZMCO-LSDHHAIUSA-N 1 0 328.372 1.768 20 5 EDBDRO C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284146969 274096233 /nfs/dbraw/zinc/09/62/33/274096233.db2.gz PBQDBOPVCYZOHM-BXUZGUMPSA-N 1 0 335.408 1.167 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000284377911 274180900 /nfs/dbraw/zinc/18/09/00/274180900.db2.gz FJUABELIAONCAR-IIAWOOMASA-N 1 0 336.388 1.978 20 5 EDBDRO O=C1NC(=O)C2(CCC([NH2+]C/C=C/c3ccccc3[N+](=O)[O-])CC2)N1 ZINC000285544776 274575432 /nfs/dbraw/zinc/57/54/32/274575432.db2.gz QVXTWWDGBVUERW-HWKANZROSA-N 1 0 344.371 1.718 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])C[C@H]12 ZINC000261589185 274959796 /nfs/dbraw/zinc/95/97/96/274959796.db2.gz KOSBQOLZJPTZPZ-UJNFCWOMSA-N 1 0 327.182 1.926 20 5 EDBDRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000253159078 287822816 /nfs/dbraw/zinc/82/28/16/287822816.db2.gz QVPDPVRZMHCDOC-RBSFLKMASA-N 1 0 346.387 1.334 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000264743557 276171578 /nfs/dbraw/zinc/17/15/78/276171578.db2.gz KXQHMKKXVJUNDP-CYBMUJFWSA-N 1 0 335.360 1.387 20 5 EDBDRO Cc1ccnc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000286441353 288006831 /nfs/dbraw/zinc/00/68/31/288006831.db2.gz RIAUZTTYDAYEAX-AGUYFDCRSA-N 1 0 347.419 1.794 20 5 EDBDRO C[N@@H+]1CCO[C@H]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000286604139 288043935 /nfs/dbraw/zinc/04/39/35/288043935.db2.gz XVQRTPRVZKAXEN-QWRGUYRKSA-N 1 0 335.389 1.509 20 5 EDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000286695867 288064222 /nfs/dbraw/zinc/06/42/22/288064222.db2.gz BAYONHXEUBPWDB-SWLSCSKDSA-N 1 0 332.404 1.752 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286763642 288081190 /nfs/dbraw/zinc/08/11/90/288081190.db2.gz ZKTNYYHZAFNMHW-JQWIXIFHSA-N 1 0 349.309 1.249 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000156259513 288238028 /nfs/dbraw/zinc/23/80/28/288238028.db2.gz DMXLMNLLLCIVBS-RKDXNWHRSA-N 1 0 333.797 1.619 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000237555258 281261837 /nfs/dbraw/zinc/26/18/37/281261837.db2.gz DTNFRZSGZPEHKR-MFKMUULPSA-N 1 0 327.406 1.651 20 5 EDBDRO CC[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000289645544 288751208 /nfs/dbraw/zinc/75/12/08/288751208.db2.gz LFGYASJUKYBTNS-CQSZACIVSA-N 1 0 336.392 1.182 20 5 EDBDRO CSC1(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000290348052 288884287 /nfs/dbraw/zinc/88/42/87/288884287.db2.gz LTHDEHQAYBAZAC-UHFFFAOYSA-N 1 0 345.446 1.358 20 5 EDBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000352125590 289180706 /nfs/dbraw/zinc/18/07/06/289180706.db2.gz JJTHDCKCWWPUCJ-MRXNPFEDSA-N 1 0 338.408 1.216 20 5 EDBDRO C[C@H](c1ccccc1)[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000292101336 289261269 /nfs/dbraw/zinc/26/12/69/289261269.db2.gz GKGJQXCDOSBNQK-OAUYIBNBSA-N 1 0 343.383 1.875 20 5 EDBDRO C[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000261980411 290451404 /nfs/dbraw/zinc/45/14/04/290451404.db2.gz AHOSDKGUNVMEGU-JOYOIKCWSA-N 1 0 331.369 1.482 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)NCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000419272475 304585195 /nfs/dbraw/zinc/58/51/95/304585195.db2.gz PSIYPVRAJIFSLR-LLVKDONJSA-N 1 0 334.376 1.078 20 5 EDBDRO CC(C)NC(=O)c1ccc(NC[C@@H]2C[NH2+]CCCO2)c([N+](=O)[O-])c1 ZINC000420274705 304741547 /nfs/dbraw/zinc/74/15/47/304741547.db2.gz NEIRQGOFLPLNSF-ZDUSSCGKSA-N 1 0 336.392 1.523 20 5 EDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420373696 304752983 /nfs/dbraw/zinc/75/29/83/304752983.db2.gz NAZPFSNRBQXZHF-CXAGYDPISA-N 1 0 332.404 1.997 20 5 EDBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000420425175 304757006 /nfs/dbraw/zinc/75/70/06/304757006.db2.gz UDTAEBXLSINQIQ-GFCCVEGCSA-N 1 0 327.406 1.442 20 5 EDBDRO COc1cc(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420467166 304761863 /nfs/dbraw/zinc/76/18/63/304761863.db2.gz NCMUCEHAMGADDU-MNOVXSKESA-N 1 0 343.405 1.399 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000262444827 302045536 /nfs/dbraw/zinc/04/55/36/302045536.db2.gz HFBVVYUXZGKWJJ-CMPLNLGQSA-N 1 0 327.406 1.509 20 5 EDBDRO CC1=CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293638270 302995973 /nfs/dbraw/zinc/99/59/73/302995973.db2.gz NRMHFOXSLIIANC-CYBMUJFWSA-N 1 0 339.417 1.962 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3C)[C@H]2C1 ZINC000293779282 303017402 /nfs/dbraw/zinc/01/74/02/303017402.db2.gz BRCLMXGJPQICTK-JKSUJKDBSA-N 1 0 333.388 1.838 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000293974739 303046650 /nfs/dbraw/zinc/04/66/50/303046650.db2.gz UZUPHNNEVGBMJS-JKSUJKDBSA-N 1 0 349.387 1.295 20 5 EDBDRO C[NH+](C)CCn1nccc1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000297364915 303390634 /nfs/dbraw/zinc/39/06/34/303390634.db2.gz KWPCVZNFFNYILO-UHFFFAOYSA-N 1 0 346.391 1.717 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000299186583 303592423 /nfs/dbraw/zinc/59/24/23/303592423.db2.gz CFXVMHMDFNKYJA-AWEZNQCLSA-N 1 0 348.403 1.784 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cccc3cccnc32)c1 ZINC000391695042 303851493 /nfs/dbraw/zinc/85/14/93/303851493.db2.gz MKXZOEBEUAQHIC-HNNXBMFYSA-N 1 0 327.344 1.490 20 5 EDBDRO CC1(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[NH2+]C1 ZINC000422938039 304880742 /nfs/dbraw/zinc/88/07/42/304880742.db2.gz PAMDBTCWGBIAFY-UHFFFAOYSA-N 1 0 346.309 1.751 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423096632 304885706 /nfs/dbraw/zinc/88/57/06/304885706.db2.gz HVWXZBKEVYCZAA-ZDUSSCGKSA-N 1 0 348.403 1.141 20 5 EDBDRO C[NH2+]CCCN(C)C(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423102119 304886238 /nfs/dbraw/zinc/88/62/38/304886238.db2.gz NWBMWTSXYQZIQY-UHFFFAOYSA-N 1 0 348.403 1.154 20 5 EDBDRO COC[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCC[NH2+]1 ZINC000423631988 304902495 /nfs/dbraw/zinc/90/24/95/304902495.db2.gz IIRLTMACRVWURB-KRWDZBQOSA-N 1 0 344.371 1.641 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000429770887 305036631 /nfs/dbraw/zinc/03/66/31/305036631.db2.gz GFJGGWDJTBSSOJ-KGLIPLIRSA-N 1 0 334.376 1.062 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000430194966 305047342 /nfs/dbraw/zinc/04/73/42/305047342.db2.gz LTYTXCGZUHBOBJ-ZDUSSCGKSA-N 1 0 337.420 1.880 20 5 EDBDRO C[C@@H]1CCCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H]1C[NH3+] ZINC000430573339 305056675 /nfs/dbraw/zinc/05/66/75/305056675.db2.gz LRIQWADZLVOMEO-IUODEOHRSA-N 1 0 348.403 1.952 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000430923165 305068260 /nfs/dbraw/zinc/06/82/60/305068260.db2.gz CKXHLLOJWSEVFF-VXGBXAGGSA-N 1 0 336.392 1.614 20 5 EDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433387608 305107530 /nfs/dbraw/zinc/10/75/30/305107530.db2.gz RJOXOBBADGPHBN-ZDUSSCGKSA-N 1 0 330.348 1.041 20 5 EDBDRO CCN1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1c1ncc[nH]1 ZINC000433468733 305110148 /nfs/dbraw/zinc/11/01/48/305110148.db2.gz FRUKPSIUVCDTMJ-CYBMUJFWSA-N 1 0 344.375 1.419 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000434710857 305129024 /nfs/dbraw/zinc/12/90/24/305129024.db2.gz KLFVPJKNBGMMEZ-ZMLRMANQSA-N 1 0 338.412 1.084 20 5 EDBDRO CCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[NH2+]CC1 ZINC000435624749 305143854 /nfs/dbraw/zinc/14/38/54/305143854.db2.gz JYPMWBGKDFHZMT-HNNXBMFYSA-N 1 0 346.431 1.948 20 5 EDBDRO CC[NH+]1CCN(CC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000437469664 305175924 /nfs/dbraw/zinc/17/59/24/305175924.db2.gz FMDVCQGEYVGWKD-UHFFFAOYSA-N 1 0 346.431 1.723 20 5 EDBDRO CCOc1ccc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000438785896 305189166 /nfs/dbraw/zinc/18/91/66/305189166.db2.gz XEPLNZOEGOIQQN-HNNXBMFYSA-N 1 0 334.376 1.683 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000440436675 305206769 /nfs/dbraw/zinc/20/67/69/305206769.db2.gz GQUGFWBPNHQNDE-CQSZACIVSA-N 1 0 325.390 1.251 20 5 EDBDRO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000440960197 305214753 /nfs/dbraw/zinc/21/47/53/305214753.db2.gz MHIJPUWJPRSVMN-CMPLNLGQSA-N 1 0 348.359 1.150 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000444362677 305246941 /nfs/dbraw/zinc/24/69/41/305246941.db2.gz JXGJJWOROHPHQO-CYBMUJFWSA-N 1 0 335.404 1.820 20 5 EDBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000446371545 305263979 /nfs/dbraw/zinc/26/39/79/305263979.db2.gz QQFPBWATHNBMAY-OKILXGFUSA-N 1 0 346.387 1.068 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000447730928 305284587 /nfs/dbraw/zinc/28/45/87/305284587.db2.gz RBVWDILUHPUMTN-GFCCVEGCSA-N 1 0 345.359 1.966 20 5 EDBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1CC1 ZINC000448899993 305303198 /nfs/dbraw/zinc/30/31/98/305303198.db2.gz XSFDSWAVMITIEE-UHFFFAOYSA-N 1 0 343.387 1.995 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451341786 305340259 /nfs/dbraw/zinc/34/02/59/305340259.db2.gz LVKUEAAMKSSYDX-XHSDSOJGSA-N 1 0 335.404 1.772 20 5 EDBDRO CO[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000451512429 305350408 /nfs/dbraw/zinc/35/04/08/305350408.db2.gz XNNKHAOREMUYAD-HUUCEWRRSA-N 1 0 333.388 1.887 20 5 EDBDRO CCn1cc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000451889381 305372081 /nfs/dbraw/zinc/37/20/81/305372081.db2.gz MJIAPRRZPXJDAY-JSGCOSHPSA-N 1 0 334.376 1.902 20 5 EDBDRO COc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc1[N+](=O)[O-] ZINC000452345777 305390574 /nfs/dbraw/zinc/39/05/74/305390574.db2.gz FTZCTJVDYNDDDY-ZDUSSCGKSA-N 1 0 337.376 1.180 20 5 EDBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1[N+](=O)[O-] ZINC000452362354 305392727 /nfs/dbraw/zinc/39/27/27/305392727.db2.gz KTOBFCBXVVQEIP-NSHDSACASA-N 1 0 339.396 1.018 20 5 EDBDRO CNc1nc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000456043915 305450576 /nfs/dbraw/zinc/45/05/76/305450576.db2.gz KIPQIVLVNYSZRB-YPMHNXCESA-N 1 0 333.392 1.730 20 5 EDBDRO COC(=O)C1(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000486927307 305546589 /nfs/dbraw/zinc/54/65/89/305546589.db2.gz RCXLQSDXCYDYFS-LLVKDONJSA-N 1 0 335.360 1.855 20 5 EDBDRO COc1cc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000515489216 305723103 /nfs/dbraw/zinc/72/31/03/305723103.db2.gz CKCDVFNRALGREN-LLVKDONJSA-N 1 0 349.387 1.713 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc([N+](=O)[O-])c1OC ZINC000525570414 305825067 /nfs/dbraw/zinc/82/50/67/305825067.db2.gz CBRCTDMSGNUROR-ZDUSSCGKSA-N 1 0 349.387 1.922 20 5 EDBDRO CC(C)(CNC(=O)c1c[nH]nc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000548741253 306136476 /nfs/dbraw/zinc/13/64/76/306136476.db2.gz PSKVMSIICJDSPS-UHFFFAOYSA-N 1 0 343.387 1.885 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000449639799 447381936 /nfs/dbraw/zinc/38/19/36/447381936.db2.gz QQQFVZJCCKWQJV-OBJOEFQTSA-N 1 0 348.403 1.347 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1OC ZINC000449721932 447390911 /nfs/dbraw/zinc/39/09/11/447390911.db2.gz UXCKOZVCTWFHRL-WDEREUQCSA-N 1 0 337.376 1.859 20 5 EDBDRO COc1cc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000449879667 447406091 /nfs/dbraw/zinc/40/60/91/447406091.db2.gz IVUJEBFHFSCYGY-SNVBAGLBSA-N 1 0 341.339 1.145 20 5 EDBDRO CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C[NH+]1CCCCCC1 ZINC000493959600 447420562 /nfs/dbraw/zinc/42/05/62/447420562.db2.gz FCPOZRGZZYRDOP-UHFFFAOYSA-N 1 0 337.424 1.904 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000415427314 447427469 /nfs/dbraw/zinc/42/74/69/447427469.db2.gz NBDYMBOTQYSTGE-JTQLQIEISA-N 1 0 338.364 1.032 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000015164123 441197085 /nfs/dbraw/zinc/19/70/85/441197085.db2.gz SKJLOHOXGYGVQW-SNVBAGLBSA-N 1 0 328.394 1.138 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000061115309 441265954 /nfs/dbraw/zinc/26/59/54/441265954.db2.gz PTXHXEPHTBBSAI-UHFFFAOYSA-N 1 0 337.424 1.871 20 5 EDBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000072931305 441276378 /nfs/dbraw/zinc/27/63/78/441276378.db2.gz PJPRFFDZMQXLOT-UHFFFAOYSA-N 1 0 338.408 1.886 20 5 EDBDRO COc1cc(OCC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000108784596 441474343 /nfs/dbraw/zinc/47/43/43/441474343.db2.gz NMRCKABKZRQRHN-LBPRGKRZSA-N 1 0 349.387 1.583 20 5 EDBDRO C[C@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000088726318 441518283 /nfs/dbraw/zinc/51/82/83/441518283.db2.gz VQKLRGQXAUJEQC-NWDGAFQWSA-N 1 0 327.406 1.651 20 5 EDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000066614624 441552231 /nfs/dbraw/zinc/55/22/31/441552231.db2.gz BHRQHOBYAAHSJA-GFCCVEGCSA-N 1 0 349.387 1.828 20 5 EDBDRO C[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000066647709 441557375 /nfs/dbraw/zinc/55/73/75/441557375.db2.gz DWKNEBMMIAOJCM-UHFFFAOYSA-N 1 0 335.360 1.438 20 5 EDBDRO Cc1ccc([C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000067267043 441621535 /nfs/dbraw/zinc/62/15/35/441621535.db2.gz RWGGBYUNVSGZKU-MRXNPFEDSA-N 1 0 345.403 1.909 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000090564490 441635795 /nfs/dbraw/zinc/63/57/95/441635795.db2.gz LWIAVHIHKHOTNT-RHSMWYFYSA-N 1 0 346.431 1.705 20 5 EDBDRO CC(C)C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000041321441 441644877 /nfs/dbraw/zinc/64/48/77/441644877.db2.gz JCWCIASMRPSHKD-CQSZACIVSA-N 1 0 336.392 1.626 20 5 EDBDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000091081801 441658931 /nfs/dbraw/zinc/65/89/31/441658931.db2.gz NKTRSJZUZZKGND-CQSZACIVSA-N 1 0 331.376 1.934 20 5 EDBDRO COc1ccc(CC(=O)Nc2cnn(CC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000067834850 441684946 /nfs/dbraw/zinc/68/49/46/441684946.db2.gz WJRFANRWKYOJNO-UHFFFAOYSA-N 1 0 347.375 1.543 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)CCO1 ZINC000091453757 441701226 /nfs/dbraw/zinc/70/12/26/441701226.db2.gz ZFEDXEMFGZLUCP-GFCCVEGCSA-N 1 0 346.391 1.327 20 5 EDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000076667948 441673139 /nfs/dbraw/zinc/67/31/39/441673139.db2.gz PZKTUQYVOAPTRC-CQSZACIVSA-N 1 0 348.403 1.784 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068131870 441740459 /nfs/dbraw/zinc/74/04/59/441740459.db2.gz CLVKHLDCCIXSDC-AWEZNQCLSA-N 1 0 335.408 1.658 20 5 EDBDRO CC[NH+](CC)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])nc1C)c1ccco1 ZINC000068256523 441763194 /nfs/dbraw/zinc/76/31/94/441763194.db2.gz AAHANRDLEIRPIG-ZDUSSCGKSA-N 1 0 349.391 1.892 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000174127881 441891398 /nfs/dbraw/zinc/89/13/98/441891398.db2.gz BFXHBPNJQXHTBU-AWEZNQCLSA-N 1 0 337.424 1.741 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000069469663 441944743 /nfs/dbraw/zinc/94/47/43/441944743.db2.gz VQQSKKMONIIMNU-AWEZNQCLSA-N 1 0 336.392 1.709 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000069469768 441945032 /nfs/dbraw/zinc/94/50/32/441945032.db2.gz QDEUVNFWKFTXHC-AWEZNQCLSA-N 1 0 348.403 1.757 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000069528912 441965499 /nfs/dbraw/zinc/96/54/99/441965499.db2.gz BMGSZZUMXUNYPM-CYBMUJFWSA-N 1 0 337.376 1.444 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000126230138 442090614 /nfs/dbraw/zinc/09/06/14/442090614.db2.gz LJFOJGPJBVBMIV-JSGCOSHPSA-N 1 0 349.387 1.585 20 5 EDBDRO C[C@H]1C[NH2+]CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000126284444 442096123 /nfs/dbraw/zinc/09/61/23/442096123.db2.gz HVWMVELKNZHSDT-JTQLQIEISA-N 1 0 327.768 1.837 20 5 EDBDRO CC(C)(C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000127194527 442180092 /nfs/dbraw/zinc/18/00/92/442180092.db2.gz CFMLEXFHFQVBPE-CYBMUJFWSA-N 1 0 335.408 1.471 20 5 EDBDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176217511 442193902 /nfs/dbraw/zinc/19/39/02/442193902.db2.gz GQENTZHEMPHFDF-KGLIPLIRSA-N 1 0 337.424 1.808 20 5 EDBDRO CC[C@@H]([NH3+])C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000129182625 442305039 /nfs/dbraw/zinc/30/50/39/442305039.db2.gz PMJVINAATJNZCN-CHWSQXEVSA-N 1 0 337.376 1.831 20 5 EDBDRO CC[N@H+](CCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000171161989 442321289 /nfs/dbraw/zinc/32/12/89/442321289.db2.gz SYHFCQLAHUOQSH-UHFFFAOYSA-N 1 0 336.392 1.887 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000172078035 442407182 /nfs/dbraw/zinc/40/71/82/442407182.db2.gz BSSQWNCRFIAYEI-LLVKDONJSA-N 1 0 343.405 1.176 20 5 EDBDRO NC(=O)c1ccc(C[NH+]2CCC(Cn3ccnn3)CC2)c([N+](=O)[O-])c1 ZINC000155666804 442417330 /nfs/dbraw/zinc/41/73/30/442417330.db2.gz HPVRRHUVWRMUGJ-UHFFFAOYSA-N 1 0 344.375 1.197 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000156388091 442475862 /nfs/dbraw/zinc/47/58/62/442475862.db2.gz PAANSWQNIZKPNJ-QWHCGFSZSA-N 1 0 343.387 1.980 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000186194151 442482660 /nfs/dbraw/zinc/48/26/60/442482660.db2.gz WDLBOFJTHJRQSB-LBPRGKRZSA-N 1 0 327.406 1.666 20 5 EDBDRO CCOC(=O)c1nn(C)cc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000186343821 442515583 /nfs/dbraw/zinc/51/55/83/442515583.db2.gz NDFZWCQWADULME-UHFFFAOYSA-N 1 0 332.360 1.837 20 5 EDBDRO COC(=O)[C@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000191821400 442517529 /nfs/dbraw/zinc/51/75/29/442517529.db2.gz OTPINHGMJMIJLO-RYUDHWBXSA-N 1 0 335.360 1.664 20 5 EDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000186779908 442609854 /nfs/dbraw/zinc/60/98/54/442609854.db2.gz CFGDGEQEOFFLOT-UHFFFAOYSA-N 1 0 344.375 1.342 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000186900462 442627096 /nfs/dbraw/zinc/62/70/96/442627096.db2.gz MCSAWHRBXRKNGI-NHYWBVRUSA-N 1 0 337.376 1.635 20 5 EDBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180584620 442627519 /nfs/dbraw/zinc/62/75/19/442627519.db2.gz KLRBLOQDRITPAT-UHFFFAOYSA-N 1 0 333.348 1.369 20 5 EDBDRO CC[NH+](CC)CCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000192966648 442702414 /nfs/dbraw/zinc/70/24/14/442702414.db2.gz YQJVCZKELBDPDJ-UHFFFAOYSA-N 1 0 336.392 1.091 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC([NH+]2CCCC2)CC1 ZINC000182243758 442749279 /nfs/dbraw/zinc/74/92/79/442749279.db2.gz QZPONVCLTXDMHB-MRXNPFEDSA-N 1 0 349.431 1.895 20 5 EDBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246874884 442819317 /nfs/dbraw/zinc/81/93/17/442819317.db2.gz JQGMJJHGTDMHIU-UKRRQHHQSA-N 1 0 347.419 1.877 20 5 EDBDRO COc1cc(C(=O)N2CCC[C@@H]2C[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000268072007 442837027 /nfs/dbraw/zinc/83/70/27/442837027.db2.gz AQMKPHZWJBOHLH-GFCCVEGCSA-N 1 0 337.376 1.778 20 5 EDBDRO O=C(c1[nH]nc2c1C[NH2+]CC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000188960412 442849715 /nfs/dbraw/zinc/84/97/15/442849715.db2.gz SKBOKHNODIGETF-UHFFFAOYSA-N 1 0 341.371 1.768 20 5 EDBDRO CCCc1n[nH]c(C(=O)N2CCC[N@H+](CCOC)CC2)c1[N+](=O)[O-] ZINC000265672537 442873913 /nfs/dbraw/zinc/87/39/13/442873913.db2.gz UCZUCWISPNZRPF-UHFFFAOYSA-N 1 0 339.396 1.065 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000268160518 442877209 /nfs/dbraw/zinc/87/72/09/442877209.db2.gz XAQXBTDLQKBDNE-DOMZBBRYSA-N 1 0 347.419 1.789 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000268201750 442897185 /nfs/dbraw/zinc/89/71/85/442897185.db2.gz GHFMFMFXWSPJBQ-SMDDNHRTSA-N 1 0 327.406 1.474 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]12 ZINC000248646870 442912919 /nfs/dbraw/zinc/91/29/19/442912919.db2.gz SSQUNUMUULDRSU-JMJZKYOTSA-N 1 0 345.808 1.606 20 5 EDBDRO COc1cc(S(=O)(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000268299896 442937842 /nfs/dbraw/zinc/93/78/42/442937842.db2.gz XXHRNGYNJUIAHZ-ZWNOBZJWSA-N 1 0 343.405 1.174 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000183632257 442947799 /nfs/dbraw/zinc/94/77/99/442947799.db2.gz YEJVRWGWJIVJHU-UHFFFAOYSA-N 1 0 341.433 1.541 20 5 EDBDRO Cc1nc(N2CCC(C[NH+]3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000268453595 442995257 /nfs/dbraw/zinc/99/52/57/442995257.db2.gz GELRDIBUGMNUOE-UHFFFAOYSA-N 1 0 333.436 1.762 20 5 EDBDRO O=C(NCC[N@@H+]1CCCOCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000189430028 442950680 /nfs/dbraw/zinc/95/06/80/442950680.db2.gz LXAOWBGTKFBOQS-UHFFFAOYSA-N 1 0 344.371 1.595 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2ccc(F)cc2)C2CC2)c1 ZINC000266389558 443114077 /nfs/dbraw/zinc/11/40/77/443114077.db2.gz CAWHEECVCLLLDN-MRXNPFEDSA-N 1 0 334.351 1.956 20 5 EDBDRO COCCC[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268835184 443122913 /nfs/dbraw/zinc/12/29/13/443122913.db2.gz PKESXAXBAJXDKA-GFCCVEGCSA-N 1 0 345.421 1.278 20 5 EDBDRO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000237435024 443171554 /nfs/dbraw/zinc/17/15/54/443171554.db2.gz DIBHIGLCWKHVGT-RKDXNWHRSA-N 1 0 333.797 1.749 20 5 EDBDRO Cc1nn(Cc2ccc(C(=O)N(C)[C@@H](C)C[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000237467702 443172936 /nfs/dbraw/zinc/17/29/36/443172936.db2.gz OPSGFSDHECEHOW-NSHDSACASA-N 1 0 345.403 1.876 20 5 EDBDRO O=C(NCC[C@H]1CCC[NH2+]C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237885262 443187082 /nfs/dbraw/zinc/18/70/82/443187082.db2.gz YMPPFECWNFVESP-CYBMUJFWSA-N 1 0 343.387 1.900 20 5 EDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000190885037 443204083 /nfs/dbraw/zinc/20/40/83/443204083.db2.gz GTIJTHOXILAYAL-QWHCGFSZSA-N 1 0 326.393 1.946 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185519093 443212920 /nfs/dbraw/zinc/21/29/20/443212920.db2.gz UWOIBHXRFJDBNG-UHFFFAOYSA-N 1 0 343.383 1.740 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1C ZINC000382425265 319123449 /nfs/dbraw/zinc/12/34/49/319123449.db2.gz MDYSBIASNWHDAC-RYUDHWBXSA-N 1 0 327.406 1.617 20 5 EDBDRO [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000382527351 319123822 /nfs/dbraw/zinc/12/38/22/319123822.db2.gz VIXGFBSECDVXIP-WCBMZHEXSA-N 1 0 333.797 1.654 20 5 EDBDRO CCN1CC[C@H]([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000414547778 319330202 /nfs/dbraw/zinc/33/02/02/319330202.db2.gz JBLGLYLUGMJWFH-ZDUSSCGKSA-N 1 0 337.376 1.330 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264410198 443280867 /nfs/dbraw/zinc/28/08/67/443280867.db2.gz HQAXRBNSIFXOSS-GFCCVEGCSA-N 1 0 345.403 1.442 20 5 EDBDRO COc1cc(C[NH2+]C[C@]2(O)CCSC2)c([N+](=O)[O-])cc1OC ZINC000267012373 443313197 /nfs/dbraw/zinc/31/31/97/443313197.db2.gz GXOJBIXVDPXRCI-CQSZACIVSA-N 1 0 328.390 1.570 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000282437049 443337995 /nfs/dbraw/zinc/33/79/95/443337995.db2.gz RRAANKGLMUVOTG-RISCZKNCSA-N 1 0 334.376 1.489 20 5 EDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000264687474 443374442 /nfs/dbraw/zinc/37/44/42/443374442.db2.gz BMQORVZRLXLMMH-AWEZNQCLSA-N 1 0 347.419 1.145 20 5 EDBDRO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282564251 443375991 /nfs/dbraw/zinc/37/59/91/443375991.db2.gz YUIFAEDXGPXDEX-NSHDSACASA-N 1 0 334.376 1.446 20 5 EDBDRO C[N@H+](CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000264618281 443349237 /nfs/dbraw/zinc/34/92/37/443349237.db2.gz KEPIFWTZFIRUFV-UHFFFAOYSA-N 1 0 330.344 1.673 20 5 EDBDRO C[NH+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269733869 443416257 /nfs/dbraw/zinc/41/62/57/443416257.db2.gz ZLNHDYMEASJLTD-UHFFFAOYSA-N 1 0 334.145 1.788 20 5 EDBDRO CNS(=O)(=O)C1CCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000264750070 443405123 /nfs/dbraw/zinc/40/51/23/443405123.db2.gz VEDOXXFBGLKTTJ-UHFFFAOYSA-N 1 0 343.405 1.117 20 5 EDBDRO O=C1C[C@]2(CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)CN1 ZINC000278845549 443459298 /nfs/dbraw/zinc/45/92/98/443459298.db2.gz JSONEOPGRYVFRH-MRXNPFEDSA-N 1 0 333.344 1.173 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)ccc1[N+](=O)[O-] ZINC000423637380 319795874 /nfs/dbraw/zinc/79/58/74/319795874.db2.gz RIRUPKDTFASQGW-RSAASHCRSA-N 1 0 348.403 1.136 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N[C@@H](C)CCCC[NH3+])ccc1[N+](=O)[O-] ZINC000423652365 319797860 /nfs/dbraw/zinc/79/78/60/319797860.db2.gz TWFWYWZQYGBVJL-LBPRGKRZSA-N 1 0 336.392 1.267 20 5 EDBDRO C[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[NH+](C)CC1 ZINC000265095923 443531345 /nfs/dbraw/zinc/53/13/45/443531345.db2.gz FIOGBKISWDJBLV-LBPRGKRZSA-N 1 0 345.403 1.442 20 5 EDBDRO O=C(C[NH2+][C@@H]1CCC[C@@H]1CCO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000279337701 443558397 /nfs/dbraw/zinc/55/83/97/443558397.db2.gz ULZHMGMMMCMTOI-IUODEOHRSA-N 1 0 333.388 1.625 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000272263851 443572754 /nfs/dbraw/zinc/57/27/54/443572754.db2.gz BKPNHJKMZIWCLO-TZMCWYRMSA-N 1 0 339.417 1.618 20 5 EDBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CC=CCC1 ZINC000279913149 443640403 /nfs/dbraw/zinc/64/04/03/443640403.db2.gz FRDKOLPLEQWXAH-UHFFFAOYSA-N 1 0 346.387 1.093 20 5 EDBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000440087182 320062393 /nfs/dbraw/zinc/06/23/93/320062393.db2.gz BEFGZYCUGILXIQ-NSHDSACASA-N 1 0 345.421 1.612 20 5 EDBDRO C[C@@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000280101924 443664034 /nfs/dbraw/zinc/66/40/34/443664034.db2.gz AIMQQOVAIMJPNW-NEPJUHHUSA-N 1 0 343.387 1.803 20 5 EDBDRO COc1ccc(-n2cc(C[NH2+]CCn3cc([N+](=O)[O-])cn3)cn2)cc1 ZINC000449198017 320178012 /nfs/dbraw/zinc/17/80/12/320178012.db2.gz ZFPVBOVLMVHNJG-UHFFFAOYSA-N 1 0 342.359 1.775 20 5 EDBDRO Cc1n[nH]c(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000288098294 443770699 /nfs/dbraw/zinc/77/06/99/443770699.db2.gz HVKZZVZRNGNDIC-GFCCVEGCSA-N 1 0 335.339 1.798 20 5 EDBDRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285020648 443824792 /nfs/dbraw/zinc/82/47/92/443824792.db2.gz GZMJYUOSMYGYLF-UHFFFAOYSA-N 1 0 330.348 1.107 20 5 EDBDRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H](C)O1 ZINC000285078661 443847104 /nfs/dbraw/zinc/84/71/04/443847104.db2.gz LTJDDHBLPWUVGJ-TUAOUCFPSA-N 1 0 337.380 1.032 20 5 EDBDRO CN(C(=O)CN1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccc([N+](=O)[O-])cc1 ZINC000292946834 443885745 /nfs/dbraw/zinc/88/57/45/443885745.db2.gz KFTKSWGQNZZVAH-SFHVURJKSA-N 1 0 346.431 1.975 20 5 EDBDRO [NH3+][C@H]1CCc2nc(NC(=O)COc3ccccc3[N+](=O)[O-])sc2C1 ZINC000288740194 443969630 /nfs/dbraw/zinc/96/96/30/443969630.db2.gz MEUCQMLJKIJVAM-VIFPVBQESA-N 1 0 348.384 1.885 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299110693 443957897 /nfs/dbraw/zinc/95/78/97/443957897.db2.gz FCANEQDMPIQVIV-OAHLLOKOSA-N 1 0 343.387 1.572 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000299455156 444050840 /nfs/dbraw/zinc/05/08/40/444050840.db2.gz XALAKHBGKYJKMR-KRWDZBQOSA-N 1 0 346.387 1.396 20 5 EDBDRO C[NH+](C)CC1(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CCC1 ZINC000281866598 444027014 /nfs/dbraw/zinc/02/70/14/444027014.db2.gz ZAKQCUMNEXXXHS-UHFFFAOYSA-N 1 0 335.360 1.387 20 5 EDBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000564398593 321129185 /nfs/dbraw/zinc/12/91/85/321129185.db2.gz XEXYUKCPJBIZGS-UHFFFAOYSA-N 1 0 344.375 1.630 20 5 EDBDRO Cc1cc(C)cc(C[C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000564854130 321151348 /nfs/dbraw/zinc/15/13/48/321151348.db2.gz JILBPRBPZCTKKT-YOEHRIQHSA-N 1 0 332.404 1.990 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cccc3c2OCCCO3)c1 ZINC000564854733 321151725 /nfs/dbraw/zinc/15/17/25/321151725.db2.gz SRBOQDVJGIYIPA-CQSZACIVSA-N 1 0 348.359 1.103 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[NH2+]CC2(C)C)c(C)cc1[N+](=O)[O-] ZINC000565244778 321178951 /nfs/dbraw/zinc/17/89/51/321178951.db2.gz IRMJEKMSRMFHGO-CQSZACIVSA-N 1 0 341.433 1.878 20 5 EDBDRO C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000569521407 321328900 /nfs/dbraw/zinc/32/89/00/321328900.db2.gz FOSVNRUQMGJBGZ-IUODEOHRSA-N 1 0 348.403 1.154 20 5 EDBDRO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000282273246 444133248 /nfs/dbraw/zinc/13/32/48/444133248.db2.gz HSBZLCSBXBUPFW-KWQFWETISA-N 1 0 340.767 1.443 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)[C@@H]2C1 ZINC000285885744 444141122 /nfs/dbraw/zinc/14/11/22/444141122.db2.gz SBHZMBBQMNSQER-HIFRSBDPSA-N 1 0 345.355 1.886 20 5 EDBDRO COCCC[N@H+](CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282241036 444124700 /nfs/dbraw/zinc/12/47/00/444124700.db2.gz ZZDFDKBAOVJHLF-UHFFFAOYSA-N 1 0 325.365 1.254 20 5 EDBDRO Cc1c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000289826028 444208506 /nfs/dbraw/zinc/20/85/06/444208506.db2.gz AZJYJQMXASGCPD-RYUDHWBXSA-N 1 0 348.359 1.801 20 5 EDBDRO CCc1ccc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000286011363 444176086 /nfs/dbraw/zinc/17/60/86/444176086.db2.gz ZOKFLBSABZMWLP-HZPDHXFCSA-N 1 0 333.388 1.702 20 5 EDBDRO COC(=O)c1cc(NC[C@H]2CN(C3CC3)CCO2)cc(C)c1[N+](=O)[O-] ZINC000301627894 444182843 /nfs/dbraw/zinc/18/28/43/444182843.db2.gz AGQMHENEEMJSRV-AWEZNQCLSA-N 1 0 349.387 1.965 20 5 EDBDRO CNS(=O)(=O)c1ccc(N[C@H]2CC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000301919733 444196723 /nfs/dbraw/zinc/19/67/23/444196723.db2.gz IPDRLULZJPKKFS-QWRGUYRKSA-N 1 0 342.421 1.398 20 5 EDBDRO C[N@@H+]1CCO[C@@H]2CN(c3c(Br)cncc3[N+](=O)[O-])C[C@@H]21 ZINC000301946288 444197805 /nfs/dbraw/zinc/19/78/05/444197805.db2.gz XNLFRAIJALNUST-WDEREUQCSA-N 1 0 343.181 1.272 20 5 EDBDRO CC[N@H+](C)[C@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000302804053 444225683 /nfs/dbraw/zinc/22/56/83/444225683.db2.gz DUZWFTHEGLHKLT-NSHDSACASA-N 1 0 327.406 1.529 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290023610 444232406 /nfs/dbraw/zinc/23/24/06/444232406.db2.gz FMZUMWNCIPQCJY-AWEZNQCLSA-N 1 0 333.388 1.822 20 5 EDBDRO C[N@@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000305709913 444274166 /nfs/dbraw/zinc/27/41/66/444274166.db2.gz XFNPXBWBKGLBCM-IRXDYDNUSA-N 1 0 345.403 1.141 20 5 EDBDRO COc1cccc(F)c1[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305776371 444279881 /nfs/dbraw/zinc/27/98/81/444279881.db2.gz OKPMKXCIBQUGON-ZYHUDNBSSA-N 1 0 338.339 1.651 20 5 EDBDRO C[C@@H](O)[C@H]1CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000305870318 444283751 /nfs/dbraw/zinc/28/37/51/444283751.db2.gz ODJYDCUDVVQVIA-NEPJUHHUSA-N 1 0 335.360 1.596 20 5 EDBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC000323460423 444343127 /nfs/dbraw/zinc/34/31/27/444343127.db2.gz CJPFZZRWHVPUAB-VHSXEESVSA-N 1 0 335.389 1.875 20 5 EDBDRO [NH3+][C@H]1C[C@@H]2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CCN2C1=O ZINC000579252684 321909512 /nfs/dbraw/zinc/90/95/12/321909512.db2.gz AHMNVTQQINTNLN-ZJUUUORDSA-N 1 0 344.293 1.362 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000580217580 322025589 /nfs/dbraw/zinc/02/55/89/322025589.db2.gz QBNRIHZWXILSEW-DOMZBBRYSA-N 1 0 343.387 1.958 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc([N+](=O)[O-])c1 ZINC000343728014 444550008 /nfs/dbraw/zinc/55/00/08/444550008.db2.gz CAAJEMSABMJSCX-QGZVFWFLSA-N 1 0 347.371 1.597 20 5 EDBDRO COc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000341008485 444628340 /nfs/dbraw/zinc/62/83/40/444628340.db2.gz CLNWLZMXXNRROU-DGCLKSJQSA-N 1 0 336.392 1.885 20 5 EDBDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000342321516 444629136 /nfs/dbraw/zinc/62/91/36/444629136.db2.gz LNRLHAJFYNLDKA-NSHDSACASA-N 1 0 327.406 1.561 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000343785162 444589326 /nfs/dbraw/zinc/58/93/26/444589326.db2.gz RGCFVPVLYDRLCX-GFCCVEGCSA-N 1 0 336.392 1.568 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1N(C)CCC[N@H+](C)CCN(C)C ZINC000341039945 444647307 /nfs/dbraw/zinc/64/73/07/444647307.db2.gz GEUOLTGKSRNLPH-UHFFFAOYSA-N 1 0 326.445 1.439 20 5 EDBDRO CC(C)[N@H+](C)CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000338428277 444689476 /nfs/dbraw/zinc/68/94/76/444689476.db2.gz ADAVGQBHNBBWOY-UHFFFAOYSA-N 1 0 331.376 1.851 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000344027403 444737207 /nfs/dbraw/zinc/73/72/07/444737207.db2.gz LGOPOAHUOJQJBO-JGGQBBKZSA-N 1 0 333.388 1.935 20 5 EDBDRO CC1(C)NC(=O)CC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000338600387 444769194 /nfs/dbraw/zinc/76/91/94/444769194.db2.gz UGWUHUCDCXHYOV-ZDUSSCGKSA-N 1 0 334.376 1.570 20 5 EDBDRO O=C(C1CC[NH+](C2CC2)CC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000338921862 444933144 /nfs/dbraw/zinc/93/31/44/444933144.db2.gz WIROAMUCBLVGAY-UHFFFAOYSA-N 1 0 347.419 1.829 20 5 EDBDRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000337312988 445029085 /nfs/dbraw/zinc/02/90/85/445029085.db2.gz VXFOMAJHUUBIQX-TZMCWYRMSA-N 1 0 327.406 1.402 20 5 EDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCNc2cc[nH+]cc2)c1 ZINC000341876116 445047380 /nfs/dbraw/zinc/04/73/80/445047380.db2.gz OGBOGSIADSOCOK-UHFFFAOYSA-N 1 0 332.385 1.976 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCCC[C@@H]1OC(F)F ZINC000337403933 445065183 /nfs/dbraw/zinc/06/51/83/445065183.db2.gz KZDHACNCAGCDCA-RYUDHWBXSA-N 1 0 331.319 1.897 20 5 EDBDRO Cc1nnc(CN2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)[nH]1 ZINC000611072193 450422555 /nfs/dbraw/zinc/42/25/55/450422555.db2.gz GEYATUOSSLSEDN-UHFFFAOYSA-N 1 0 346.391 1.218 20 5 EDBDRO C[C@@H]1[C@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCC[N@@H+]1C ZINC000343425560 445220112 /nfs/dbraw/zinc/22/01/12/445220112.db2.gz DWSMOGSXOKQGST-BXUZGUMPSA-N 1 0 344.375 1.388 20 5 EDBDRO C[C@@H]1[C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343533283 445239698 /nfs/dbraw/zinc/23/96/98/445239698.db2.gz WPPJUAVMSVRUSZ-DGCLKSJQSA-N 1 0 344.375 1.388 20 5 EDBDRO CC[NH+]1CCN(CCCNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347443902 445238347 /nfs/dbraw/zinc/23/83/47/445238347.db2.gz ZQVXODBVVHRFMB-UHFFFAOYSA-N 1 0 344.419 1.978 20 5 EDBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000348519133 445311921 /nfs/dbraw/zinc/31/19/21/445311921.db2.gz ANQZGGJRCITNTI-JQWIXIFHSA-N 1 0 329.303 1.944 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000351703588 445280915 /nfs/dbraw/zinc/28/09/15/445280915.db2.gz OVAVGDNAHGFUQR-HNNXBMFYSA-N 1 0 345.403 1.471 20 5 EDBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCOC1 ZINC000348138457 445286818 /nfs/dbraw/zinc/28/68/18/445286818.db2.gz TVVRKPWFHLIPRA-GXTWGEPZSA-N 1 0 333.388 1.889 20 5 EDBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000348142375 445287843 /nfs/dbraw/zinc/28/78/43/445287843.db2.gz NFPOPKJTAOXMKA-OLZOCXBDSA-N 1 0 342.417 1.773 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000348144817 445288279 /nfs/dbraw/zinc/28/82/79/445288279.db2.gz RAPRZLXAETZHLG-NWDGAFQWSA-N 1 0 337.376 1.947 20 5 EDBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000354571118 445298595 /nfs/dbraw/zinc/29/85/95/445298595.db2.gz IGTNRDYSYMKBRR-LLVKDONJSA-N 1 0 330.335 1.854 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000351823288 445333965 /nfs/dbraw/zinc/33/39/65/445333965.db2.gz QXVRFYGGMJJFLQ-ZJUUUORDSA-N 1 0 330.344 1.658 20 5 EDBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000354702016 445345221 /nfs/dbraw/zinc/34/52/21/445345221.db2.gz TWMRYIIMEXMDNA-UHFFFAOYSA-N 1 0 338.412 1.157 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)c1 ZINC000351902361 445363947 /nfs/dbraw/zinc/36/39/47/445363947.db2.gz ITFPJRWFZRNYBT-ZDUSSCGKSA-N 1 0 341.433 1.926 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000352047563 445458564 /nfs/dbraw/zinc/45/85/64/445458564.db2.gz JQXZDADADMOLCJ-CQSZACIVSA-N 1 0 335.404 1.709 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CO)C1CCOCC1 ZINC000359879736 445471644 /nfs/dbraw/zinc/47/16/44/445471644.db2.gz UFWCLQIVLRTZIC-OAHLLOKOSA-N 1 0 337.376 1.219 20 5 EDBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000357287919 445527206 /nfs/dbraw/zinc/52/72/06/445527206.db2.gz JVIOZDODAOVDSC-CQSZACIVSA-N 1 0 348.403 1.832 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(OCC[NH+](C)C)c2)n1 ZINC000355852848 445506179 /nfs/dbraw/zinc/50/61/79/445506179.db2.gz VUSQTRORJGAQDO-UHFFFAOYSA-N 1 0 333.348 1.521 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@H]3C2)s1 ZINC000362902186 445604287 /nfs/dbraw/zinc/60/42/87/445604287.db2.gz QXYGMHQITNDWLC-JTQLQIEISA-N 1 0 331.419 1.515 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358701648 445727011 /nfs/dbraw/zinc/72/70/11/445727011.db2.gz HMYCLRYRQZQHLZ-BLLLJJGKSA-N 1 0 336.392 1.330 20 5 EDBDRO C[C@H](CC[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000349952792 445732558 /nfs/dbraw/zinc/73/25/58/445732558.db2.gz RKTUYDURFYTMOB-MRVPVSSYSA-N 1 0 330.182 1.753 20 5 EDBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356469634 445808039 /nfs/dbraw/zinc/80/80/39/445808039.db2.gz UZNXDBBYKSEBFZ-JSGCOSHPSA-N 1 0 343.387 1.894 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000353914953 445810811 /nfs/dbraw/zinc/81/08/11/445810811.db2.gz RAYWBAAZSOAYRX-UHFFFAOYSA-N 1 0 346.391 2.559 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000356479709 445812938 /nfs/dbraw/zinc/81/29/38/445812938.db2.gz NDOSEFLWODKQJL-UHFFFAOYSA-N 1 0 335.408 1.666 20 5 EDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000353999455 445846263 /nfs/dbraw/zinc/84/62/63/445846263.db2.gz LDCGFXFNYMNVDB-LBPRGKRZSA-N 1 0 344.375 1.342 20 5 EDBDRO Cc1cc(OCC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000369079838 445915482 /nfs/dbraw/zinc/91/54/82/445915482.db2.gz YLBRUDIIFLHRQG-AWEZNQCLSA-N 1 0 333.388 1.979 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000359108796 445952485 /nfs/dbraw/zinc/95/24/85/445952485.db2.gz MRUPUVICCQMWKX-CYBMUJFWSA-N 1 0 335.408 1.606 20 5 EDBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373055462 445996903 /nfs/dbraw/zinc/99/69/03/445996903.db2.gz KAVSYTDTGRHUAL-NHYWBVRUSA-N 1 0 330.388 1.993 20 5 EDBDRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3csc([N+](=O)[O-])c3)C2)CC1 ZINC000369265366 446031097 /nfs/dbraw/zinc/03/10/97/446031097.db2.gz GDEIRPLQLDIRBJ-LBPRGKRZSA-N 1 0 338.433 1.555 20 5 EDBDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])s3)C2)CC1 ZINC000369274084 446041184 /nfs/dbraw/zinc/04/11/84/446041184.db2.gz MJQJSFGDKBDZMA-LLVKDONJSA-N 1 0 338.433 1.555 20 5 EDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000583572485 326098386 /nfs/dbraw/zinc/09/83/86/326098386.db2.gz KUZOSLQKVLRESL-PWSUYJOCSA-N 1 0 330.348 1.127 20 5 EDBDRO CC[NH+]1CCC(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000583581981 326099256 /nfs/dbraw/zinc/09/92/56/326099256.db2.gz NYFJGCWJSDCIJO-UHFFFAOYSA-N 1 0 335.360 1.785 20 5 EDBDRO CCO[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000583867501 326155689 /nfs/dbraw/zinc/15/56/89/326155689.db2.gz NQZHBYPTWHKDTL-HOTGVXAUSA-N 1 0 334.376 1.520 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCN([C@H]2CCCCNC2=O)CC1 ZINC000370372890 446251673 /nfs/dbraw/zinc/25/16/73/446251673.db2.gz FTWROJNSXDNLGK-KRWDZBQOSA-N 1 0 346.431 1.690 20 5 EDBDRO CC1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)C[NH+](Cc2ccccc2)C1 ZINC000373587522 446272506 /nfs/dbraw/zinc/27/25/06/446272506.db2.gz GKSQJMLAVOTQHE-UHFFFAOYSA-N 1 0 343.387 1.430 20 5 EDBDRO Cc1cc(OCC(=O)N2CCC[N@@H+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000370561390 446332860 /nfs/dbraw/zinc/33/28/60/446332860.db2.gz KUYUMZZLRZNHEJ-UHFFFAOYSA-N 1 0 333.388 1.979 20 5 EDBDRO CC(C)c1nccn1[C@H]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000373964247 446345684 /nfs/dbraw/zinc/34/56/84/446345684.db2.gz BBWQSFWWHKBYQU-NSHDSACASA-N 1 0 331.380 2.128 20 5 EDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCC[C@H]1CCC[NH2+]1 ZINC000420278354 446446795 /nfs/dbraw/zinc/44/67/95/446446795.db2.gz IZRCEIFYUQWGSV-LLVKDONJSA-N 1 0 327.406 1.942 20 5 EDBDRO C[C@H]1[NH2+]CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000420304293 446468816 /nfs/dbraw/zinc/46/88/16/446468816.db2.gz DXYMRGUOJVLUDB-ZJUUUORDSA-N 1 0 326.784 1.869 20 5 EDBDRO COc1ccc(NC(=O)CCN2CC[NH2+][C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000420308966 446472110 /nfs/dbraw/zinc/47/21/10/446472110.db2.gz KYLFWPOVELUIGI-RYUDHWBXSA-N 1 0 336.392 1.614 20 5 EDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418289149 446485824 /nfs/dbraw/zinc/48/58/24/446485824.db2.gz CDTNDBAEELIDAI-UHFFFAOYSA-N 1 0 349.435 1.074 20 5 EDBDRO Cc1c(NC(=O)CCN2CC[NH2+]C[C@@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000420340734 446511781 /nfs/dbraw/zinc/51/17/81/446511781.db2.gz UFJCXDXSGOIFIF-MRXNPFEDSA-N 1 0 338.383 1.865 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000376481967 446524235 /nfs/dbraw/zinc/52/42/35/446524235.db2.gz ORQZHHDCPFVGKJ-STQMWFEESA-N 1 0 346.387 1.585 20 5 EDBDRO COC[C@]1(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC[NH2+]1 ZINC000423418031 446524955 /nfs/dbraw/zinc/52/49/55/446524955.db2.gz UAGIBNIPXLATOQ-OFQRWUPVSA-N 1 0 337.424 1.633 20 5 EDBDRO CN(C(=O)CN1C[C@@H]([NH3+])Cc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000420403006 446576205 /nfs/dbraw/zinc/57/62/05/446576205.db2.gz MTPSCGDGMTWWAB-AWEZNQCLSA-N 1 0 340.383 1.948 20 5 EDBDRO O=c1[nH]c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc2ccc([N+](=O)[O-])cc21 ZINC000367711716 446577508 /nfs/dbraw/zinc/57/75/08/446577508.db2.gz FCZIOIMCGUIZEZ-GHMZBOCLSA-N 1 0 329.360 2.282 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418552184 446590374 /nfs/dbraw/zinc/59/03/74/446590374.db2.gz BNYZDINIMBVVHI-NHYWBVRUSA-N 1 0 334.376 1.365 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000420424370 446598474 /nfs/dbraw/zinc/59/84/74/446598474.db2.gz HWYMTMBIPNFJIX-ZDUSSCGKSA-N 1 0 341.433 1.961 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000433774668 446599057 /nfs/dbraw/zinc/59/90/57/446599057.db2.gz PIHDTIFKEZDWTR-NSHDSACASA-N 1 0 339.396 1.282 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000420425955 446599987 /nfs/dbraw/zinc/59/99/87/446599987.db2.gz TYCFZULEPDXUOJ-YGRLFVJLSA-N 1 0 341.433 1.960 20 5 EDBDRO Cn1cc(C(=O)N2CC[NH2+]C(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000423704257 446649624 /nfs/dbraw/zinc/64/96/24/446649624.db2.gz DLFSJHOXVRVZJQ-UHFFFAOYSA-N 1 0 343.387 1.819 20 5 EDBDRO COCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000411703566 446652802 /nfs/dbraw/zinc/65/28/02/446652802.db2.gz XHGDAKOTHPELJY-OAHLLOKOSA-N 1 0 337.376 1.661 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000376719395 446674113 /nfs/dbraw/zinc/67/41/13/446674113.db2.gz WKLZLMNGGVEDIW-HNNXBMFYSA-N 1 0 339.417 1.500 20 5 EDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368199268 446703912 /nfs/dbraw/zinc/70/39/12/446703912.db2.gz FPGWDHUXRIOLGA-VWYCJHECSA-N 1 0 327.381 1.892 20 5 EDBDRO C[C@H](NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000418791270 446705371 /nfs/dbraw/zinc/70/53/71/446705371.db2.gz YLJLCQRRRPOSPZ-SJCJKPOMSA-N 1 0 348.403 1.278 20 5 EDBDRO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423833013 446720817 /nfs/dbraw/zinc/72/08/17/446720817.db2.gz ZHWNAZNCZMASQC-OAHLLOKOSA-N 1 0 326.356 1.445 20 5 EDBDRO O=C(C[NH2+]C[C@@H]1CCCO1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423852785 446731351 /nfs/dbraw/zinc/73/13/51/446731351.db2.gz UIPBPBBNTQWCNB-LBPRGKRZSA-N 1 0 327.768 1.633 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000420738210 446782063 /nfs/dbraw/zinc/78/20/63/446782063.db2.gz NFULPZQBYYRHOD-CYBMUJFWSA-N 1 0 341.433 1.926 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000454157815 446793801 /nfs/dbraw/zinc/79/38/01/446793801.db2.gz YWWYNGWDDUZDJE-CQSZACIVSA-N 1 0 336.392 1.872 20 5 EDBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000424003294 446818795 /nfs/dbraw/zinc/81/87/95/446818795.db2.gz PHOXCLSQAKDDLM-HZPDHXFCSA-N 1 0 333.388 1.953 20 5 EDBDRO Cc1n[nH]c(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000424036978 446828395 /nfs/dbraw/zinc/82/83/95/446828395.db2.gz IHWASKKFVLUQRX-CMPLNLGQSA-N 1 0 333.323 1.332 20 5 EDBDRO CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368408464 446843055 /nfs/dbraw/zinc/84/30/55/446843055.db2.gz XTSPUOZVXIXYEC-LBPRGKRZSA-N 1 0 344.375 1.730 20 5 EDBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000423979062 446803796 /nfs/dbraw/zinc/80/37/96/446803796.db2.gz OYVHQZDKKUHYEK-ZDUSSCGKSA-N 1 0 331.376 1.629 20 5 EDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CCOCC2)C1=O ZINC000375662678 446958435 /nfs/dbraw/zinc/95/84/35/446958435.db2.gz ZTUSXXQFGVLMIC-QGZVFWFLSA-N 1 0 347.415 1.849 20 5 EDBDRO CC[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000419159190 446975083 /nfs/dbraw/zinc/97/50/83/446975083.db2.gz FXFPXFGYQXHVGZ-UONOGXRCSA-N 1 0 334.376 1.016 20 5 EDBDRO CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000419159187 446975346 /nfs/dbraw/zinc/97/53/46/446975346.db2.gz FXFPXFGYQXHVGZ-KGLIPLIRSA-N 1 0 334.376 1.016 20 5 EDBDRO CC[C@@H](NC(=O)C(=O)N1CCC[C@H]1C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000419169339 446984849 /nfs/dbraw/zinc/98/48/49/446984849.db2.gz RFECMEVJRQEGPW-LSDHHAIUSA-N 1 0 348.403 1.373 20 5 EDBDRO CC[C@@H](NC(=O)C(=O)N1CCC([NH2+]C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000419174826 446989126 /nfs/dbraw/zinc/98/91/26/446989126.db2.gz WSDBJSSSQWSDTA-OAHLLOKOSA-N 1 0 348.403 1.373 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000421022855 446993004 /nfs/dbraw/zinc/99/30/04/446993004.db2.gz PEUXLQXMHWRKOJ-AAEUAGOBSA-N 1 0 337.376 1.777 20 5 EDBDRO C[NH+]1CCN(C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])CCO2)CC1 ZINC000377400331 447112130 /nfs/dbraw/zinc/11/21/30/447112130.db2.gz MBOBIDXSZGWENF-INIZCTEOSA-N 1 0 334.420 1.043 20 5 EDBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372478034 447075492 /nfs/dbraw/zinc/07/54/92/447075492.db2.gz NBJIGUKLCSMQBB-DZGCQCFKSA-N 1 0 335.408 1.829 20 5 EDBDRO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000368809226 447123699 /nfs/dbraw/zinc/12/36/99/447123699.db2.gz HOGYJOXLJYWOMJ-PVXIVEMSSA-N 1 0 331.376 1.002 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H]3CNc4ccnn4C3)C2)nc1 ZINC000619266189 450439153 /nfs/dbraw/zinc/43/91/53/450439153.db2.gz ZZAKQUVKULZMFC-CHWSQXEVSA-N 1 0 343.391 1.414 20 5 EDBDRO O=[N+]([O-])c1cc(Br)ccc1CN1C[C@@H](O)C[C@H]1CO ZINC000425417796 447154354 /nfs/dbraw/zinc/15/43/54/447154354.db2.gz IIGAAFWPMHEHNJ-QWRGUYRKSA-N 1 0 331.166 1.285 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000368816391 447130408 /nfs/dbraw/zinc/13/04/08/447130408.db2.gz KAJYYEYANVFHGB-OAHLLOKOSA-N 1 0 348.403 1.248 20 5 EDBDRO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000368948025 447218362 /nfs/dbraw/zinc/21/83/62/447218362.db2.gz AJNIRKYOKCLYTP-ONERCXAPSA-N 1 0 347.371 1.547 20 5 EDBDRO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000368966715 447231314 /nfs/dbraw/zinc/23/13/14/447231314.db2.gz QMAJGRZPQLJZKO-VPJDZLOFSA-N 1 0 330.344 1.822 20 5 EDBDRO O=[N+]([O-])c1cc2ccccc2nc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000372749691 447267749 /nfs/dbraw/zinc/26/77/49/447267749.db2.gz ILNJPZUKJOJGLE-KGLIPLIRSA-N 1 0 328.372 2.418 20 5 EDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2(N3CCOCC3)CC2)n1 ZINC000447598536 447280504 /nfs/dbraw/zinc/28/05/04/447280504.db2.gz VLEXUQMGJDEVSR-GJZGRUSLSA-N 1 0 349.435 1.729 20 5 EDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415463216 447454509 /nfs/dbraw/zinc/45/45/09/447454509.db2.gz QDVSHFGUKVPGRJ-KCJUWKMLSA-N 1 0 340.767 1.430 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000415486242 447474220 /nfs/dbraw/zinc/47/42/20/447474220.db2.gz KXTUZLIFJOIXQE-CYBMUJFWSA-N 1 0 336.392 1.674 20 5 EDBDRO Cc1cc(OCC(=O)NC[C@](C)(O)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000419999300 447537079 /nfs/dbraw/zinc/53/70/79/447537079.db2.gz OGFQDEDJRZPROE-MRXNPFEDSA-N 1 0 339.392 1.101 20 5 EDBDRO C[NH+](C)CC(C)(C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000457203908 447540661 /nfs/dbraw/zinc/54/06/61/447540661.db2.gz JHXJJFUZJJSXAJ-UHFFFAOYSA-N 1 0 331.376 1.851 20 5 EDBDRO C[C@H](C(=O)NC[C@](C)(O)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000420021175 447550201 /nfs/dbraw/zinc/55/02/01/447550201.db2.gz UEKPLKCGVRNWRQ-MEDUHNTESA-N 1 0 341.383 1.656 20 5 EDBDRO C[C@H](Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)[C@@H]1CCC[NH2+]C1 ZINC000420162271 447647078 /nfs/dbraw/zinc/64/70/78/447647078.db2.gz KGOLUJJRVWBDQT-VHSXEESVSA-N 1 0 328.394 1.042 20 5 EDBDRO [NH3+]C1(CNC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000420092068 447595283 /nfs/dbraw/zinc/59/52/83/447595283.db2.gz NVQAJQJLUYABEC-UHFFFAOYSA-N 1 0 346.387 1.083 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]C2CC3(CCC3)C2)c1 ZINC000459393047 447650521 /nfs/dbraw/zinc/65/05/21/447650521.db2.gz XRQXZWLKOZWIPQ-UHFFFAOYSA-N 1 0 339.417 1.795 20 5 EDBDRO CCN(CC)S(=O)(=O)c1ccc(N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420143347 447633458 /nfs/dbraw/zinc/63/34/58/447633458.db2.gz JNQALVHDTMAOLC-LLVKDONJSA-N 1 0 342.421 1.163 20 5 EDBDRO Cn1ccnc1C(=O)c1ccc(N2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000420173754 447654291 /nfs/dbraw/zinc/65/42/91/447654291.db2.gz VVDJZIVIXJLDAV-UHFFFAOYSA-N 1 0 329.360 1.359 20 5 EDBDRO C[C@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000420181676 447658222 /nfs/dbraw/zinc/65/82/22/447658222.db2.gz FLUFVJRMMOLVBG-DZGCQCFKSA-N 1 0 334.420 1.601 20 5 EDBDRO C[C@H]1CN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000420195290 447665665 /nfs/dbraw/zinc/66/56/65/447665665.db2.gz VPHGJLCJMNOGHW-WCQYABFASA-N 1 0 343.387 1.733 20 5 EDBDRO COC(=O)c1cnc(N2CCC([NH2+]CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000420203498 447669303 /nfs/dbraw/zinc/66/93/03/447669303.db2.gz QXKKOPRYNRKJJY-UHFFFAOYSA-N 1 0 334.376 1.745 20 5 EDBDRO C[NH2+]CCC1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000420225880 447677891 /nfs/dbraw/zinc/67/78/91/447677891.db2.gz KKTJHJLMUITHMU-UHFFFAOYSA-N 1 0 347.462 1.886 20 5 EDBDRO O=C(c1ccccc1)c1ccc(NC[C@H]2C[NH2+]C[C@@H]2O)c([N+](=O)[O-])c1 ZINC000420241388 447684028 /nfs/dbraw/zinc/68/40/28/447684028.db2.gz AZLJOWHWYFMBNU-PBHICJAKSA-N 1 0 341.367 1.818 20 5 EDBDRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000451905068 447779362 /nfs/dbraw/zinc/77/93/62/447779362.db2.gz KJYHJKUTJALJMZ-UHFFFAOYSA-N 1 0 329.422 1.994 20 5 EDBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000530491837 447898889 /nfs/dbraw/zinc/89/88/89/447898889.db2.gz CIZZEKFMOKCGGE-NWDGAFQWSA-N 1 0 342.421 1.389 20 5 EDBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@@H+]1C ZINC000525032173 447966063 /nfs/dbraw/zinc/96/60/63/447966063.db2.gz VMQAOCVRUCMCJU-MNOVXSKESA-N 1 0 335.360 1.878 20 5 EDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000576511698 448070972 /nfs/dbraw/zinc/07/09/72/448070972.db2.gz NKYCBBGNBOTQKS-DZGCQCFKSA-N 1 0 341.371 1.664 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2(CCO)CCCC2)c1 ZINC000570844120 448074125 /nfs/dbraw/zinc/07/41/25/448074125.db2.gz ZNRKEPTXYUXJIN-HNNXBMFYSA-N 1 0 338.404 1.867 20 5 EDBDRO COc1ccc(CC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000571915719 448235441 /nfs/dbraw/zinc/23/54/41/448235441.db2.gz XJFLDGNZDFKNOK-KRWDZBQOSA-N 1 0 333.388 1.748 20 5 EDBDRO [NH3+]C1CCC(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000591359931 448343204 /nfs/dbraw/zinc/34/32/04/448343204.db2.gz XADFVEFLUCCYMD-UHFFFAOYSA-N 1 0 348.407 1.091 20 5 EDBDRO C[C@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000565371127 448366521 /nfs/dbraw/zinc/36/65/21/448366521.db2.gz BVDTWRIOHMCWRJ-FZMZJTMJSA-N 1 0 343.387 1.993 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591448664 448367271 /nfs/dbraw/zinc/36/72/71/448367271.db2.gz LZRGIMJYWGBQMG-JSGCOSHPSA-N 1 0 346.387 1.577 20 5 EDBDRO CCc1ccc(S(=O)(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000566162802 448400510 /nfs/dbraw/zinc/40/05/10/448400510.db2.gz ZETZGCFVEXSESI-UHFFFAOYSA-N 1 0 327.406 1.530 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](CO)c1cccnc1 ZINC000566233956 448423541 /nfs/dbraw/zinc/42/35/41/448423541.db2.gz ODWKROYVJAUGAO-GJZGRUSLSA-N 1 0 347.371 1.095 20 5 EDBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000584094009 448470820 /nfs/dbraw/zinc/47/08/20/448470820.db2.gz PLQPGHOVJJVYFZ-KUHUBIRLSA-N 1 0 347.418 1.975 20 5 EDBDRO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000591686475 448451848 /nfs/dbraw/zinc/45/18/48/448451848.db2.gz HLEVNXUOSKVIFR-LLVKDONJSA-N 1 0 343.334 1.200 20 5 EDBDRO Cc1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c(=O)n1C ZINC000516762478 448469607 /nfs/dbraw/zinc/46/96/07/448469607.db2.gz BHCTUQBNVVLLQR-UHFFFAOYSA-N 1 0 344.371 1.720 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)c(C)cc1[N+](=O)[O-] ZINC000516787133 448475505 /nfs/dbraw/zinc/47/55/05/448475505.db2.gz NIZJPYYITGLWCI-GFCCVEGCSA-N 1 0 327.406 1.632 20 5 EDBDRO CCc1ccc(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000584719140 448607865 /nfs/dbraw/zinc/60/78/65/448607865.db2.gz APZHCBJSBIFFSX-WCQYABFASA-N 1 0 341.433 1.953 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000518139668 448647541 /nfs/dbraw/zinc/64/75/41/448647541.db2.gz QUEDTRZIHFOHLS-KRWDZBQOSA-N 1 0 348.403 1.759 20 5 EDBDRO C[C@H]1CCC[N@H+](CCNc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1 ZINC000585703490 448742450 /nfs/dbraw/zinc/74/24/50/448742450.db2.gz ZVZRXVBTLDDRTD-LBPRGKRZSA-N 1 0 347.419 1.929 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]C[C@H]1C(F)F ZINC000579354542 448776399 /nfs/dbraw/zinc/77/63/99/448776399.db2.gz CTMYPTLTLHFIQT-LBPRGKRZSA-N 1 0 328.319 1.381 20 5 EDBDRO O=[N+]([O-])c1cc(CN2CCC(CO)([NH2+]CC3CC3)CC2)cs1 ZINC000567994642 448796411 /nfs/dbraw/zinc/79/64/11/448796411.db2.gz RBLSDJRCOFOVIE-UHFFFAOYSA-N 1 0 325.434 1.983 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCc2cscn2)cc1 ZINC000579465242 448800080 /nfs/dbraw/zinc/80/00/80/448800080.db2.gz PRSUAKRKLKSKGZ-UHFFFAOYSA-N 1 0 341.414 1.657 20 5 EDBDRO Cn1c2cc(NCC3CC[NH+](C)CC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000587749634 448845508 /nfs/dbraw/zinc/84/55/08/448845508.db2.gz OODPFISJIOHOCM-UHFFFAOYSA-N 1 0 333.392 1.539 20 5 EDBDRO O=C(C[C@@H]1CSCC[NH2+]1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000579586371 448827197 /nfs/dbraw/zinc/82/71/97/448827197.db2.gz MCOMAFKEHOSTMR-LLVKDONJSA-N 1 0 347.400 2.019 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592435103 448837070 /nfs/dbraw/zinc/83/70/70/448837070.db2.gz RJZSQLYAACVZBV-RYUDHWBXSA-N 1 0 325.340 1.498 20 5 EDBDRO CC1(C)C[NH2+]CCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592473939 448852122 /nfs/dbraw/zinc/85/21/22/448852122.db2.gz WAJYIRSDOFMCIT-UHFFFAOYSA-N 1 0 327.406 1.052 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CCC(C)([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000592485052 448856794 /nfs/dbraw/zinc/85/67/94/448856794.db2.gz PEAKAJDFWUEDNN-UHFFFAOYSA-N 1 0 336.392 1.745 20 5 EDBDRO COCC[N@H+](C)C[C@@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000568649885 448902715 /nfs/dbraw/zinc/90/27/15/448902715.db2.gz PGHDOTMOEFABBM-ZDUSSCGKSA-N 1 0 325.409 1.359 20 5 EDBDRO CC[NH+]1CCC(CNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000520615836 448918162 /nfs/dbraw/zinc/91/81/62/448918162.db2.gz AMXCGFARMQIFLZ-UHFFFAOYSA-N 1 0 337.424 1.646 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2cnc3n2CCCC3)c1 ZINC000574632245 448920065 /nfs/dbraw/zinc/92/00/65/448920065.db2.gz ZAKXMGYAPMYOCO-OAHLLOKOSA-N 1 0 346.387 1.657 20 5 EDBDRO CCc1ccc(S(=O)(=O)NCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000574687427 448933235 /nfs/dbraw/zinc/93/32/35/448933235.db2.gz CUYDQDKUIYDRDC-UHFFFAOYSA-N 1 0 327.406 1.530 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000589393169 449011308 /nfs/dbraw/zinc/01/13/08/449011308.db2.gz XCGOSFSWADBNNQ-LBPRGKRZSA-N 1 0 334.376 1.306 20 5 EDBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593578806 449086078 /nfs/dbraw/zinc/08/60/78/449086078.db2.gz ZKMWXGRRALTXRP-UHFFFAOYSA-N 1 0 344.437 1.732 20 5 EDBDRO O=C(CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595727954 449134912 /nfs/dbraw/zinc/13/49/12/449134912.db2.gz GUTARNSGDITGGO-STQMWFEESA-N 1 0 346.387 1.524 20 5 EDBDRO CC(C)(NC(=O)NCC1([NH3+])CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599931273 449113112 /nfs/dbraw/zinc/11/31/12/449113112.db2.gz WLVNXIYWTWILNA-UHFFFAOYSA-N 1 0 336.392 1.637 20 5 EDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000600036693 449156143 /nfs/dbraw/zinc/15/61/43/449156143.db2.gz VVJAWFAYXFHGAR-GFCCVEGCSA-N 1 0 334.376 1.381 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000595783146 449163613 /nfs/dbraw/zinc/16/36/13/449163613.db2.gz RINDMMFAGMPYOC-HUUCEWRRSA-N 1 0 349.387 1.825 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000595783076 449163748 /nfs/dbraw/zinc/16/37/48/449163748.db2.gz QBUIDBYWDOSPOL-GJZGRUSLSA-N 1 0 349.387 1.825 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000590442961 449164897 /nfs/dbraw/zinc/16/48/97/449164897.db2.gz CHIMCFXHTSTXJA-LRDDRELGSA-N 1 0 341.371 1.557 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC([C@H]3CCCCO3)CC2)c1 ZINC000595788427 449167285 /nfs/dbraw/zinc/16/72/85/449167285.db2.gz NTLCPXXTTOXZAL-JKSUJKDBSA-N 1 0 338.408 1.433 20 5 EDBDRO CCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000599986170 449138172 /nfs/dbraw/zinc/13/81/72/449138172.db2.gz PFDMELBYXQARGK-UHFFFAOYSA-N 1 0 349.387 1.938 20 5 EDBDRO C[NH+]1CCC2(CCN(C(=O)COc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000590376068 449140025 /nfs/dbraw/zinc/14/00/25/449140025.db2.gz UCEHVQWGOBKUSW-UHFFFAOYSA-N 1 0 333.388 1.918 20 5 EDBDRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCc2ccc(F)cc21 ZINC000593114622 449141441 /nfs/dbraw/zinc/14/14/41/449141441.db2.gz CGEMSJQAFZWHJX-WBMJQRKESA-N 1 0 348.378 1.953 20 5 EDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000590402259 449148869 /nfs/dbraw/zinc/14/88/69/449148869.db2.gz BPLAFVNUOSGWND-TZMCWYRMSA-N 1 0 343.387 1.945 20 5 EDBDRO Nc1ccc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)nc1[N+](=O)[O-] ZINC000590576527 449198473 /nfs/dbraw/zinc/19/84/73/449198473.db2.gz ISSGDQRMQHDVES-HNNXBMFYSA-N 1 0 341.415 2.549 20 5 EDBDRO Nc1ccc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)nc1[N+](=O)[O-] ZINC000590576529 449199023 /nfs/dbraw/zinc/19/90/23/449199023.db2.gz ISSGDQRMQHDVES-OAHLLOKOSA-N 1 0 341.415 2.549 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000590589900 449204566 /nfs/dbraw/zinc/20/45/66/449204566.db2.gz SKPYWRJGTXVDBF-NWDGAFQWSA-N 1 0 327.406 1.616 20 5 EDBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000590555558 449188484 /nfs/dbraw/zinc/18/84/84/449188484.db2.gz QKELYAASERHZBY-AWEZNQCLSA-N 1 0 347.415 1.849 20 5 EDBDRO O=C(C[N@@H+]1CC[C@H]2COC[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595826924 449190671 /nfs/dbraw/zinc/19/06/71/449190671.db2.gz BDPLGQHLCZDFNG-KBPBESRZSA-N 1 0 331.372 1.452 20 5 EDBDRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000598062782 449224445 /nfs/dbraw/zinc/22/44/45/449224445.db2.gz VIAYOXBHNARZRE-UHFFFAOYSA-N 1 0 344.375 1.355 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611223180 449225340 /nfs/dbraw/zinc/22/53/40/449225340.db2.gz BNRDKPSSGWRTFH-VXGBXAGGSA-N 1 0 335.360 1.370 20 5 EDBDRO C[N@@H+]1CC[C@H](CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000602032957 449288615 /nfs/dbraw/zinc/28/86/15/449288615.db2.gz BYBUGISHPLQSTB-CQSZACIVSA-N 1 0 332.404 1.585 20 5 EDBDRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593525818 449324322 /nfs/dbraw/zinc/32/43/22/449324322.db2.gz KWEGVSSDIMVLNY-LBPRGKRZSA-N 1 0 342.421 1.533 20 5 EDBDRO CC[NH2+][C@H](C)CNC(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 ZINC000593905094 449275700 /nfs/dbraw/zinc/27/57/00/449275700.db2.gz LDTPAINSZJCGJP-GFCCVEGCSA-N 1 0 345.403 1.876 20 5 EDBDRO O=C([C@@H]1CCC[NH2+]CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000593905659 449275846 /nfs/dbraw/zinc/27/58/46/449275846.db2.gz KGZPPGREEPVKEU-CQSZACIVSA-N 1 0 332.404 1.633 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC23CC(C2)C[NH2+]3)cc1SC ZINC000595951169 449277062 /nfs/dbraw/zinc/27/70/62/449277062.db2.gz NOMDYEWAIJRWRD-UHFFFAOYSA-N 1 0 337.401 1.807 20 5 EDBDRO CSc1ccc(C(=O)Nc2nn(C)c(C)c2C[NH3+])cc1[N+](=O)[O-] ZINC000595960378 449282968 /nfs/dbraw/zinc/28/29/68/449282968.db2.gz DHOMWJWRCGLTKF-UHFFFAOYSA-N 1 0 335.389 2.070 20 5 EDBDRO CC(C)C[C@H](CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[NH+](C)C ZINC000596072189 449347926 /nfs/dbraw/zinc/34/79/26/449347926.db2.gz ZBICLZUTYPFSMT-GFCCVEGCSA-N 1 0 344.437 1.630 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000594103290 449355706 /nfs/dbraw/zinc/35/57/06/449355706.db2.gz YWQCAEHZBGATTJ-PHIMTYICSA-N 1 0 335.360 1.436 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000598342516 449356591 /nfs/dbraw/zinc/35/65/91/449356591.db2.gz JVFMAPXXGPXUMR-ZDUSSCGKSA-N 1 0 335.360 1.596 20 5 EDBDRO CC[NH+](CC)CC(=O)N1CCN(c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596108689 449365494 /nfs/dbraw/zinc/36/54/94/449365494.db2.gz YEORGPLWMIQZKN-UHFFFAOYSA-N 1 0 340.449 1.955 20 5 EDBDRO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000598511896 449435247 /nfs/dbraw/zinc/43/52/47/449435247.db2.gz ULGSYPOWODTKFS-AWEZNQCLSA-N 1 0 342.355 1.700 20 5 EDBDRO CN1CC[NH+](CCCNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611699896 449387101 /nfs/dbraw/zinc/38/71/01/449387101.db2.gz IUDLEJXXAPSYGU-UHFFFAOYSA-N 1 0 330.392 1.587 20 5 EDBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)c2c1 ZINC000611708425 449390219 /nfs/dbraw/zinc/39/02/19/449390219.db2.gz OBIGUWCUIFUJBT-ZDUSSCGKSA-N 1 0 343.387 1.697 20 5 EDBDRO Nc1nccc(C(=O)NCC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000598539412 449454090 /nfs/dbraw/zinc/45/40/90/449454090.db2.gz DLNNRTFTRQEROS-UHFFFAOYSA-N 1 0 333.392 1.424 20 5 EDBDRO CC(C)[C@@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[NH2+]1 ZINC000598571211 449470481 /nfs/dbraw/zinc/47/04/81/449470481.db2.gz HYFRUIRVJBDBRM-AWEZNQCLSA-N 1 0 343.387 1.851 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@H](C)[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000598598929 449484459 /nfs/dbraw/zinc/48/44/59/449484459.db2.gz JTSYUVUWIRMKHH-LBPRGKRZSA-N 1 0 341.433 1.974 20 5 EDBDRO CC(C)[C@H]([NH3+])CCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598668918 449530771 /nfs/dbraw/zinc/53/07/71/449530771.db2.gz SUGFMIFQWDLGLN-CYBMUJFWSA-N 1 0 337.380 1.206 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)c1 ZINC000600756128 449534952 /nfs/dbraw/zinc/53/49/52/449534952.db2.gz MOHMVFROCKKSLY-YONQAEKCSA-N 1 0 348.790 1.734 20 5 EDBDRO CC(=O)c1cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000596540572 449545610 /nfs/dbraw/zinc/54/56/10/449545610.db2.gz URPBQAYQOUTVER-HNNXBMFYSA-N 1 0 333.388 1.833 20 5 EDBDRO C[C@H]1CN(CCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@@H](C)CO1 ZINC000596426851 449496994 /nfs/dbraw/zinc/49/69/94/449496994.db2.gz BXVKLYXYHIAHMV-QWRGUYRKSA-N 1 0 347.375 1.765 20 5 EDBDRO CNc1nccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000594424195 449507716 /nfs/dbraw/zinc/50/77/16/449507716.db2.gz SNXATVICGMDGKE-UHFFFAOYSA-N 1 0 335.408 2.071 20 5 EDBDRO CN(CC1C[NH+](C)C1)c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000596452937 449510629 /nfs/dbraw/zinc/51/06/29/449510629.db2.gz IOKMILQOKBMVNV-UHFFFAOYSA-N 1 0 334.420 1.425 20 5 EDBDRO CC1(C)CC[C@H](CO)[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000598647028 449517164 /nfs/dbraw/zinc/51/71/64/449517164.db2.gz JQURRXWSILVFCG-CABCVRRESA-N 1 0 338.404 1.817 20 5 EDBDRO CC1(C)CC[C@H](CO)[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000598650011 449520083 /nfs/dbraw/zinc/52/00/83/449520083.db2.gz WYYNNDMVXAZSKX-KGLIPLIRSA-N 1 0 338.404 1.817 20 5 EDBDRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1c[nH]nc1[N+](=O)[O-] ZINC000598736610 449571093 /nfs/dbraw/zinc/57/10/93/449571093.db2.gz DADUOWPPRRQAPM-LBPRGKRZSA-N 1 0 331.332 1.137 20 5 EDBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000602421943 449575714 /nfs/dbraw/zinc/57/57/14/449575714.db2.gz QLQVAFJMGHPZNX-SNVBAGLBSA-N 1 0 333.323 1.354 20 5 EDBDRO C[N@H+](CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCC1 ZINC000600816290 449560456 /nfs/dbraw/zinc/56/04/56/449560456.db2.gz NZKXLCJDAAISAU-UHFFFAOYSA-N 1 0 332.404 1.728 20 5 EDBDRO C[N@H+](CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)C1CCC1 ZINC000600817728 449561639 /nfs/dbraw/zinc/56/16/39/449561639.db2.gz UNYXQFMAIPXAIW-UHFFFAOYSA-N 1 0 329.360 2.408 20 5 EDBDRO Cc1cc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000594601385 449588792 /nfs/dbraw/zinc/58/87/92/449588792.db2.gz ABOQSJXIXLJKDL-QWHCGFSZSA-N 1 0 328.372 1.707 20 5 EDBDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602453575 449601114 /nfs/dbraw/zinc/60/11/14/449601114.db2.gz LXVPUJCUSGDIEZ-RDJZCZTQSA-N 1 0 335.404 1.801 20 5 EDBDRO CC(C)[C@@H]1C[NH2+]CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000600951510 449612536 /nfs/dbraw/zinc/61/25/36/449612536.db2.gz RECUXCVYZABDAU-AWEZNQCLSA-N 1 0 327.406 1.433 20 5 EDBDRO CC(C)(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)n1cc([N+](=O)[O-])cn1 ZINC000596703392 449615118 /nfs/dbraw/zinc/61/51/18/449615118.db2.gz KLNIYABHYWULSK-UHFFFAOYSA-N 1 0 337.424 1.952 20 5 EDBDRO CS(=O)(=O)c1ccc(N2CCc3[nH+]ccc(N)c3C2)c([N+](=O)[O-])c1 ZINC000598943205 449661927 /nfs/dbraw/zinc/66/19/27/449661927.db2.gz RDJCWRYJXIZGES-UHFFFAOYSA-N 1 0 348.384 1.538 20 5 EDBDRO C[C@H]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C[NH2+]1 ZINC000602553548 449669019 /nfs/dbraw/zinc/66/90/19/449669019.db2.gz KYDFTRRHCTXATC-QWHCGFSZSA-N 1 0 348.403 1.302 20 5 EDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598902469 449639235 /nfs/dbraw/zinc/63/92/35/449639235.db2.gz NFQXNGLYSIGODM-NWDGAFQWSA-N 1 0 349.391 1.267 20 5 EDBDRO C[C@H]1CN(c2ncc(F)cc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000601135847 449708308 /nfs/dbraw/zinc/70/83/08/449708308.db2.gz JQEOMTQHGLXCMW-JSGCOSHPSA-N 1 0 337.399 1.591 20 5 EDBDRO CC(C)(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1CCOCC1 ZINC000602640304 449722843 /nfs/dbraw/zinc/72/28/43/449722843.db2.gz MRDAXXXXBARRSE-UHFFFAOYSA-N 1 0 337.424 1.539 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1C ZINC000599106458 449739069 /nfs/dbraw/zinc/73/90/69/449739069.db2.gz ISJTVUQXPPTNQJ-CQSZACIVSA-N 1 0 339.417 1.775 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000594820331 449728425 /nfs/dbraw/zinc/72/84/25/449728425.db2.gz BQXQRJJQJNGXLY-GFCCVEGCSA-N 1 0 329.422 1.830 20 5 EDBDRO C[C@H](C(=O)NCCCN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617690061 449736806 /nfs/dbraw/zinc/73/68/06/449736806.db2.gz OTZONHKRQIADKT-AWEZNQCLSA-N 1 0 334.420 1.452 20 5 EDBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594776112 449687876 /nfs/dbraw/zinc/68/78/76/449687876.db2.gz QYONGVMSKJRQTI-LLVKDONJSA-N 1 0 330.410 1.389 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000599160204 449769433 /nfs/dbraw/zinc/76/94/33/449769433.db2.gz JCJWJXNQUUHJOU-UHFFFAOYSA-N 1 0 337.424 1.811 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000597081516 449802872 /nfs/dbraw/zinc/80/28/72/449802872.db2.gz BMRRBJRVAAVDLG-IUODEOHRSA-N 1 0 340.401 1.526 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])s1 ZINC000601337578 449846428 /nfs/dbraw/zinc/84/64/28/449846428.db2.gz DIASVXXHDGAPPH-JTQLQIEISA-N 1 0 331.419 1.480 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000602852709 449859344 /nfs/dbraw/zinc/85/93/44/449859344.db2.gz GMMWEEVNAFNEOR-ZBFHGGJFSA-N 1 0 331.376 1.427 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000601351315 449864035 /nfs/dbraw/zinc/86/40/35/449864035.db2.gz DLUZZVXSBSXKJR-RISCZKNCSA-N 1 0 325.390 1.357 20 5 EDBDRO CC[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000601358702 449872447 /nfs/dbraw/zinc/87/24/47/449872447.db2.gz MMMKBJIJHWYQKD-ZYHUDNBSSA-N 1 0 345.396 1.661 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+]CC2(C)C)c(C)cc1[N+](=O)[O-] ZINC000595108994 449872868 /nfs/dbraw/zinc/87/28/68/449872868.db2.gz RZVXEVBNIJMQFK-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO COc1ccc(S(=O)(=O)NCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000595119460 449879996 /nfs/dbraw/zinc/87/99/96/449879996.db2.gz AABWWOCNCZJWHK-UHFFFAOYSA-N 1 0 329.378 1.153 20 5 EDBDRO COC(=O)c1cn(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)nn1 ZINC000595043355 449848782 /nfs/dbraw/zinc/84/87/82/449848782.db2.gz JOMYCGCAKBUVCK-SNVBAGLBSA-N 1 0 349.347 1.332 20 5 EDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000602954292 449954979 /nfs/dbraw/zinc/95/49/79/449954979.db2.gz UHXZOXZBUUOGGO-LBPRGKRZSA-N 1 0 335.408 1.914 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CC[C@H](c3ccccc3)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000595222724 449957641 /nfs/dbraw/zinc/95/76/41/449957641.db2.gz XQTZIRQROFTNPQ-ZIAGYGMSSA-N 1 0 343.387 1.594 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)NCC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000601448887 449973047 /nfs/dbraw/zinc/97/30/47/449973047.db2.gz RJNUWJHOTKOJPG-UHFFFAOYSA-N 1 0 347.824 1.929 20 5 EDBDRO [NH3+]C1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC2(CCC2)C1 ZINC000595252070 449977539 /nfs/dbraw/zinc/97/75/39/449977539.db2.gz AEYKGGQBTSEQSA-UHFFFAOYSA-N 1 0 333.392 1.616 20 5 EDBDRO [NH3+]C1(CNC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCC1 ZINC000595271354 449991691 /nfs/dbraw/zinc/99/16/91/449991691.db2.gz QTCWCGHMGAZCMP-UHFFFAOYSA-N 1 0 347.419 1.698 20 5 EDBDRO C[NH2+]C[C@H](C)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595275594 449993779 /nfs/dbraw/zinc/99/37/79/449993779.db2.gz OWBVIYBLOVGFKR-LBPRGKRZSA-N 1 0 336.392 1.756 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000609269920 449996271 /nfs/dbraw/zinc/99/62/71/449996271.db2.gz ZTVHPDSLLNNFOX-CYBMUJFWSA-N 1 0 337.376 1.444 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595357009 450072553 /nfs/dbraw/zinc/07/25/53/450072553.db2.gz WIGVJLZCCFTHLL-AWEZNQCLSA-N 1 0 341.433 1.541 20 5 EDBDRO CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595375311 450087532 /nfs/dbraw/zinc/08/75/32/450087532.db2.gz NDLSSOWKIUJKJR-UKRRQHHQSA-N 1 0 337.424 1.177 20 5 EDBDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000599695979 450159977 /nfs/dbraw/zinc/15/99/77/450159977.db2.gz ZORKTAABTMYFQL-OLZOCXBDSA-N 1 0 341.433 1.917 20 5 EDBDRO CC(C)CNC(=O)CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595482640 450174804 /nfs/dbraw/zinc/17/48/04/450174804.db2.gz SUMPCBDZHRPTFH-UHFFFAOYSA-N 1 0 337.424 1.981 20 5 EDBDRO CCC1([NH+]2CCCC2)CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000601743973 450208753 /nfs/dbraw/zinc/20/87/53/450208753.db2.gz GQPVAHFHFDFRJI-UHFFFAOYSA-N 1 0 335.408 1.809 20 5 EDBDRO C[NH+](C)CC1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000597707786 450211366 /nfs/dbraw/zinc/21/13/66/450211366.db2.gz GOAUBFZKCMPRFR-UHFFFAOYSA-N 1 0 330.344 1.482 20 5 EDBDRO Cc1nccc([C@@H]2CCC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000610336011 450194819 /nfs/dbraw/zinc/19/48/19/450194819.db2.gz KAPHLRNGRANJBQ-HIFRSBDPSA-N 1 0 346.391 1.130 20 5 EDBDRO COC[C@@H]1CCCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000610615498 450273709 /nfs/dbraw/zinc/27/37/09/450273709.db2.gz HIUOTUMQZIESEG-JTQLQIEISA-N 1 0 337.332 1.373 20 5 EDBDRO Cc1sc(S(=O)(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC000603314509 450238411 /nfs/dbraw/zinc/23/84/11/450238411.db2.gz UASDJLCSIZQZIN-NXEZZACHSA-N 1 0 333.435 1.726 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]CC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000616088129 450318361 /nfs/dbraw/zinc/31/83/61/450318361.db2.gz KSFYJPAXEYGLGM-CYBMUJFWSA-N 1 0 338.360 1.805 20 5 EDBDRO O=[N+]([O-])c1cccc(OCCN2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000603661748 450338942 /nfs/dbraw/zinc/33/89/42/450338942.db2.gz VVUJQDQXSCXBQO-KRWDZBQOSA-N 1 0 335.404 1.770 20 5 EDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000619871925 450349324 /nfs/dbraw/zinc/34/93/24/450349324.db2.gz KYLXPSSCRSOARQ-HNNXBMFYSA-N 1 0 333.388 1.922 20 5 EDBDRO CO[C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000619429028 450471476 /nfs/dbraw/zinc/47/14/76/450471476.db2.gz OIINTTDLSPGGOX-GXTWGEPZSA-N 1 0 342.417 1.916 20 5 EDBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@](C)(O)CO)o2)c([N+](=O)[O-])c1 ZINC000619464272 450481366 /nfs/dbraw/zinc/48/13/66/450481366.db2.gz JXPVBPVWWIANOA-MRXNPFEDSA-N 1 0 336.344 1.696 20 5 EDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000262600321 491005021 /nfs/dbraw/zinc/00/50/21/491005021.db2.gz XDCVJXXXURWPHP-LBPRGKRZSA-N 1 0 329.360 1.510 20 5 EDBDRO C[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000184232990 534069464 /nfs/dbraw/zinc/06/94/64/534069464.db2.gz WRKXRIAFMVDKGC-ZDUSSCGKSA-N 1 0 341.433 1.746 20 5 EDBDRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000124942663 517464183 /nfs/dbraw/zinc/46/41/83/517464183.db2.gz VJIPFABXIHCSES-NSHDSACASA-N 1 0 333.385 1.728 20 5 EDBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000158973232 534627841 /nfs/dbraw/zinc/62/78/41/534627841.db2.gz RFDVDYQMMPYDCI-CYBMUJFWSA-N 1 0 329.360 1.885 20 5 EDBDRO CC(C)(C)CC[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000187912727 527669897 /nfs/dbraw/zinc/66/98/97/527669897.db2.gz UBTFOPFVMDSQJC-UHFFFAOYSA-N 1 0 329.422 1.899 20 5 EDBDRO CC[NH+](CC)CCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000175057822 528136689 /nfs/dbraw/zinc/13/66/89/528136689.db2.gz MFSIHTIOAORLSR-UHFFFAOYSA-N 1 0 329.422 1.832 20 5 EDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000154441197 528546906 /nfs/dbraw/zinc/54/69/06/528546906.db2.gz OVBJTVJBISCQGU-YPMHNXCESA-N 1 0 335.408 1.827 20 5 EDBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000347405001 535592890 /nfs/dbraw/zinc/59/28/90/535592890.db2.gz DSBVWLFQLYKLCO-CHWSQXEVSA-N 1 0 337.424 1.959 20 5 EDBDRO C[NH+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000339863449 535889483 /nfs/dbraw/zinc/88/94/83/535889483.db2.gz FSPGDCUUILSHRB-UHFFFAOYSA-N 1 0 336.377 1.156 20 5 EDBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(C)nn(C)c1C ZINC000347950188 535910412 /nfs/dbraw/zinc/91/04/12/535910412.db2.gz CHKUGOQNXUVZOO-KBPBESRZSA-N 1 0 336.396 1.243 20 5 EDBDRO CNS(=O)(=O)c1ccc(N[C@H]2CCC[NH2+][C@H]2C)c([N+](=O)[O-])c1 ZINC000262561264 536320602 /nfs/dbraw/zinc/32/06/02/536320602.db2.gz VNAJNRLUPVZFJP-ONGXEEELSA-N 1 0 328.394 1.055 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000353211792 536476638 /nfs/dbraw/zinc/47/66/38/536476638.db2.gz VFFPDHQTEBNCQC-JSGCOSHPSA-N 1 0 338.360 1.540 20 5 EDBDRO COc1cc(C(=O)NCC[N@@H+]2CCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000742238753 579444414 /nfs/dbraw/zinc/44/44/14/579444414.db2.gz BBUGEPFFUJZPSO-LLVKDONJSA-N 1 0 337.376 1.826 20 5 EDBDRO CC[NH+]1CCC(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000742367356 579450163 /nfs/dbraw/zinc/45/01/63/579450163.db2.gz VBUZOTAHYDEHMI-UHFFFAOYSA-N 1 0 345.403 1.793 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000743400421 579479097 /nfs/dbraw/zinc/47/90/97/579479097.db2.gz SLDXELBLGDDICW-LBPRGKRZSA-N 1 0 346.387 1.422 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000743980694 579496659 /nfs/dbraw/zinc/49/66/59/579496659.db2.gz GXSWQGZOHZZUFT-LBPRGKRZSA-N 1 0 334.376 1.442 20 5 EDBDRO O=C1NCCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725850135 578289447 /nfs/dbraw/zinc/28/94/47/578289447.db2.gz MFMRCTJGNCCTCX-CQSZACIVSA-N 1 0 332.404 1.953 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729502351 578578053 /nfs/dbraw/zinc/57/80/53/578578053.db2.gz SMNNIQUPEYYOMX-CABCVRRESA-N 1 0 348.403 1.599 20 5 EDBDRO C[C@H](O)C[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000729920546 578599586 /nfs/dbraw/zinc/59/95/86/578599586.db2.gz ZPVSSMJLZIPTQR-NSHDSACASA-N 1 0 338.364 1.784 20 5 EDBDRO CC(C)(C)OC(=O)NCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000731678227 578678490 /nfs/dbraw/zinc/67/84/90/578678490.db2.gz JLWGVDUDUWGHJF-ZDUSSCGKSA-N 1 0 325.365 1.743 20 5 EDBDRO CN(Cn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732187978 578696071 /nfs/dbraw/zinc/69/60/71/578696071.db2.gz CJMZGCHYLNRRHT-CYBMUJFWSA-N 1 0 332.360 1.629 20 5 EDBDRO CC(C)[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000735759259 578921199 /nfs/dbraw/zinc/92/11/99/578921199.db2.gz QQGQFMKTUDYSJC-CQSZACIVSA-N 1 0 331.380 1.551 20 5 EDBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736295985 578973719 /nfs/dbraw/zinc/97/37/19/578973719.db2.gz ZMIKYPKWYFGAAC-JQWIXIFHSA-N 1 0 329.364 1.448 20 5 EDBDRO Cc1nn(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000746644329 579604631 /nfs/dbraw/zinc/60/46/31/579604631.db2.gz BHVSJGAWKSTNKP-QLFBSQMISA-N 1 0 337.424 1.549 20 5 EDBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(CO)COC2)ccc1N1CCCCC1 ZINC000746753172 579609025 /nfs/dbraw/zinc/60/90/25/579609025.db2.gz CLLNYCQSSJMRBT-UHFFFAOYSA-N 1 0 335.404 1.684 20 5 EDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000747230527 579634637 /nfs/dbraw/zinc/63/46/37/579634637.db2.gz TYUIFIBWXLTCIC-CHWSQXEVSA-N 1 0 344.371 1.669 20 5 EDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)cc1 ZINC000748820397 579702117 /nfs/dbraw/zinc/70/21/17/579702117.db2.gz YMGFUSCXURZGAR-UHFFFAOYSA-N 1 0 349.412 1.804 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000752793633 579865784 /nfs/dbraw/zinc/86/57/84/579865784.db2.gz QAMZZKYXLCAXSQ-AWEZNQCLSA-N 1 0 347.419 1.678 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](CCO)C1CC1 ZINC000763055658 580091274 /nfs/dbraw/zinc/09/12/74/580091274.db2.gz JEHSPKIXTPIQSE-MFKMUULPSA-N 1 0 337.376 1.681 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(NC3CC[NH+](C[C@@H]4CCCO4)CC3)nn21 ZINC000767201378 580183659 /nfs/dbraw/zinc/18/36/59/580183659.db2.gz CQIAZVHEDCZHNA-ZDUSSCGKSA-N 1 0 346.391 1.693 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC2CCC([NH+]3CCCCC3)CC2)n1 ZINC000772916147 580323362 /nfs/dbraw/zinc/32/33/62/580323362.db2.gz HKJPZNAVAUBGNO-UHFFFAOYSA-N 1 0 335.408 1.855 20 5 EDBDRO C[C@]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)(C(N)=O)c1ccccc1 ZINC000776586694 580422512 /nfs/dbraw/zinc/42/25/12/580422512.db2.gz HBGDCTQMOWRWFD-DOTOQJQBSA-N 1 0 329.356 1.619 20 5 EDBDRO C[N@@H+]1CCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C(C)(C)C1 ZINC000781787970 580557084 /nfs/dbraw/zinc/55/70/84/580557084.db2.gz IUYWLWJQEXWHFG-OAHLLOKOSA-N 1 0 346.387 1.640 20 5 EDBDRO CN(CC[NH+]1CCCC1)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781964863 580561889 /nfs/dbraw/zinc/56/18/89/580561889.db2.gz MFNQNUNKLLDMKK-MRXNPFEDSA-N 1 0 346.387 1.642 20 5 EDBDRO CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781968206 580561964 /nfs/dbraw/zinc/56/19/64/580561964.db2.gz ANAYMYMCJVMUSP-BLLLJJGKSA-N 1 0 348.403 1.934 20 5 EDBDRO CN1CCN(C(=O)C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783605359 580601986 /nfs/dbraw/zinc/60/19/86/580601986.db2.gz ZAERSOKSKHWOBN-UHFFFAOYSA-N 1 0 326.784 1.112 20 5 EDBDRO C[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788594668 580725415 /nfs/dbraw/zinc/72/54/15/580725415.db2.gz OJMAFTYJEWAOJX-TZMCWYRMSA-N 1 0 349.435 1.415 20 5 EDBDRO Cc1c(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000790293236 580766251 /nfs/dbraw/zinc/76/62/51/580766251.db2.gz VJKXCXAVVLBRSJ-HUUCEWRRSA-N 1 0 348.403 1.566 20 5 EDBDRO CC[NH+](CC)[C@@H]1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794637215 580901151 /nfs/dbraw/zinc/90/11/51/580901151.db2.gz QSWURXPKLOXHDZ-GFCCVEGCSA-N 1 0 334.376 1.876 20 5 EDBDRO Cn1nc2c(c1C[N@@H+]1CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C1)CCC2 ZINC000892079007 590787401 /nfs/dbraw/zinc/78/74/01/590787401.db2.gz VUTMIIVMKSYZMJ-LBPRGKRZSA-N 1 0 342.403 1.898 20 5 EDBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000893752537 591075777 /nfs/dbraw/zinc/07/57/77/591075777.db2.gz MQYTYJLIYUSLGB-UHFFFAOYSA-N 1 0 326.401 1.021 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000895681658 591251618 /nfs/dbraw/zinc/25/16/18/591251618.db2.gz TVQFYKNQWOPGSG-CQSZACIVSA-N 1 0 347.419 1.511 20 5 EDBDRO COc1ccc(CNC(=O)C2C[NH+](C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000895812773 591279025 /nfs/dbraw/zinc/27/90/25/591279025.db2.gz YSPKGIFGWVSEPC-UHFFFAOYSA-N 1 0 349.387 1.330 20 5 EDBDRO [NH3+]CCN(c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894453242 591316163 /nfs/dbraw/zinc/31/61/63/591316163.db2.gz CUXCBGQZMSYATO-HUUCEWRRSA-N 1 0 339.367 1.994 20 5 EDBDRO C[C@@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000896539222 591501781 /nfs/dbraw/zinc/50/17/81/591501781.db2.gz KRWAKHJGTCCHIH-CJNGLKHVSA-N 1 0 348.447 1.623 20 5 EDBDRO CC(C)(CCC(=O)N1CCC(CO)([NH2+]CC2CC2)CC1)[N+](=O)[O-] ZINC000898109871 591785500 /nfs/dbraw/zinc/78/55/00/591785500.db2.gz GVAWMCQUZGGMPB-UHFFFAOYSA-N 1 0 327.425 1.175 20 5 EDBDRO O=C1[C@@H](N[C@@H]2CC[NH2+]C23CCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000903469723 592175107 /nfs/dbraw/zinc/17/51/07/592175107.db2.gz BAUZAHVDEXFOQD-LSDHHAIUSA-N 1 0 330.388 1.574 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@]12CC[NH2+]C2 ZINC000903866687 592342412 /nfs/dbraw/zinc/34/24/12/592342412.db2.gz WXYVEKXNTIYNIX-QGZVFWFLSA-N 1 0 348.403 1.760 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)c1C ZINC000908199975 592378689 /nfs/dbraw/zinc/37/86/89/592378689.db2.gz HEIHBWGDIJROGK-KGLIPLIRSA-N 1 0 333.388 1.493 20 5 EDBDRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000908598807 592549076 /nfs/dbraw/zinc/54/90/76/592549076.db2.gz XYBKFHOHBGCNCJ-UHFFFAOYSA-N 1 0 339.367 1.699 20 5 EDBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000907549767 592703090 /nfs/dbraw/zinc/70/30/90/592703090.db2.gz WBSLXYXGKKYADM-RISCZKNCSA-N 1 0 325.390 1.167 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000731019904 592920489 /nfs/dbraw/zinc/92/04/89/592920489.db2.gz LWFQZKRNJPHWRP-AWEZNQCLSA-N 1 0 343.387 1.545 20 5 EDBDRO CCO[C@@H]1C[NH2+][C@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000912001545 593047753 /nfs/dbraw/zinc/04/77/53/593047753.db2.gz QVICISNSTCBDNZ-KBPBESRZSA-N 1 0 348.403 1.010 20 5 EDBDRO O=C(C1=NO[C@]2(C1)CCC[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912183438 593069490 /nfs/dbraw/zinc/06/94/90/593069490.db2.gz NBGSEYZIHKWEEZ-INIZCTEOSA-N 1 0 330.344 1.382 20 5 EDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1 ZINC000912256480 593080069 /nfs/dbraw/zinc/08/00/69/593080069.db2.gz XDOMZOZOUZNXNN-XNRPHZJLSA-N 1 0 333.388 1.758 20 5 EDBDRO O=C(OCCn1cc([N+](=O)[O-])ccc1=O)C1C[NH+](C2CCCCC2)C1 ZINC000838462142 593171000 /nfs/dbraw/zinc/17/10/00/593171000.db2.gz AFSLGNTXRKLXOY-UHFFFAOYSA-N 1 0 349.387 1.564 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000808131449 593326223 /nfs/dbraw/zinc/32/62/23/593326223.db2.gz NJGJFGMCJKCGSZ-UHFFFAOYSA-N 1 0 325.369 1.798 20 5 EDBDRO Cc1nn(C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000840188658 593372141 /nfs/dbraw/zinc/37/21/41/593372141.db2.gz MYCBRZUIIXIBBF-GFCCVEGCSA-N 1 0 346.391 1.594 20 5 EDBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000812309586 593495863 /nfs/dbraw/zinc/49/58/63/593495863.db2.gz HDBFZFISVNUTGE-GFCCVEGCSA-N 1 0 333.392 1.789 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)C[C@@H]2C1 ZINC000812332882 593497822 /nfs/dbraw/zinc/49/78/22/593497822.db2.gz MBUMXMQSJICAPO-NEPJUHHUSA-N 1 0 347.371 1.390 20 5 EDBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812850741 593510733 /nfs/dbraw/zinc/51/07/33/593510733.db2.gz OKCRIHKJDGAHFK-JQFCIGGWSA-N 1 0 348.403 1.596 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000817375737 593598485 /nfs/dbraw/zinc/59/84/85/593598485.db2.gz ZLXDUUNOGKRESV-CQSZACIVSA-N 1 0 347.419 1.820 20 5 EDBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815618405 593644380 /nfs/dbraw/zinc/64/43/80/593644380.db2.gz KVGOZVLHNXAHTB-HZUKXOBISA-N 1 0 339.392 1.648 20 5 EDBDRO C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C[NH3+] ZINC000818009323 593656984 /nfs/dbraw/zinc/65/69/84/593656984.db2.gz POYXZSFFRVEXEA-MNOVXSKESA-N 1 0 325.340 1.556 20 5 EDBDRO CN1C(=O)CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000818360964 593694563 /nfs/dbraw/zinc/69/45/63/593694563.db2.gz FMVCSVXFAPGHEC-OAHLLOKOSA-N 1 0 346.387 1.301 20 5 EDBDRO O=C(NCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000818963057 593730480 /nfs/dbraw/zinc/73/04/80/593730480.db2.gz DXHPYHHYLGXRAU-CYBMUJFWSA-N 1 0 335.385 1.709 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000819061420 593736550 /nfs/dbraw/zinc/73/65/50/593736550.db2.gz LLQJXWVUFTZQPC-ROUUACIJSA-N 1 0 349.431 1.861 20 5 EDBDRO CO[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000819067279 593737132 /nfs/dbraw/zinc/73/71/32/593737132.db2.gz HMMSKLKNFCBHDZ-CABZTGNLSA-N 1 0 338.282 1.501 20 5 EDBDRO CN(C)C(=O)C1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000819070137 593737258 /nfs/dbraw/zinc/73/72/58/593737258.db2.gz SAGBIWILJLIREX-HNNXBMFYSA-N 1 0 335.404 1.866 20 5 EDBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1(S(C)(=O)=O)CC1 ZINC000819305081 593749709 /nfs/dbraw/zinc/74/97/09/593749709.db2.gz LWPIXFHOXCKUHA-GXFFZTMASA-N 1 0 328.390 1.184 20 5 EDBDRO COC(=O)N1CCC(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819307651 593749818 /nfs/dbraw/zinc/74/98/18/593749818.db2.gz CEYVDGJUXXTCAG-OAHLLOKOSA-N 1 0 337.376 1.696 20 5 EDBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820092462 593790531 /nfs/dbraw/zinc/79/05/31/593790531.db2.gz MFMTYYBXIAFVTF-NSHDSACASA-N 1 0 346.395 1.560 20 5 EDBDRO CN(CC[NH+](C)C)c1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821584789 593869860 /nfs/dbraw/zinc/86/98/60/593869860.db2.gz SGYNOUCIOONUNN-UHFFFAOYSA-N 1 0 342.363 1.321 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000824030907 593912632 /nfs/dbraw/zinc/91/26/32/593912632.db2.gz QRYFZPMCAGUYSD-CYBMUJFWSA-N 1 0 348.403 1.404 20 5 EDBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000821057156 593955510 /nfs/dbraw/zinc/95/55/10/593955510.db2.gz MVDNKFKVAPRJNV-OIISXLGYSA-N 1 0 347.415 1.661 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821165786 593980882 /nfs/dbraw/zinc/98/08/82/593980882.db2.gz WAQLJUPUOIAYIT-LLVKDONJSA-N 1 0 331.380 1.553 20 5 EDBDRO C[C@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000825079207 594127063 /nfs/dbraw/zinc/12/70/63/594127063.db2.gz NXTCSHLSBLSCGK-IOASZLSFSA-N 1 0 335.404 1.865 20 5 EDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1[nH]nc2c1C[NH2+]CC2 ZINC000831217941 594583799 /nfs/dbraw/zinc/58/37/99/594583799.db2.gz OSCSQBUQSQTPGW-UHFFFAOYSA-N 1 0 335.751 1.547 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)CC[C@H]21 ZINC000827329414 594661507 /nfs/dbraw/zinc/66/15/07/594661507.db2.gz GLWLETLGJMFDIH-SMDDNHRTSA-N 1 0 337.351 1.665 20 5 EDBDRO CCO[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)C[NH+](C)C ZINC000831714439 594695345 /nfs/dbraw/zinc/69/53/45/594695345.db2.gz WEYLUUDPUCDYCB-JTQLQIEISA-N 1 0 329.784 1.945 20 5 EDBDRO CCO[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000831737126 594697701 /nfs/dbraw/zinc/69/77/01/594697701.db2.gz CTSALSUXTBSFCJ-JTQLQIEISA-N 1 0 329.784 1.945 20 5 EDBDRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000841169826 594862253 /nfs/dbraw/zinc/86/22/53/594862253.db2.gz QBAIASLTJLPHNY-SECBINFHSA-N 1 0 340.767 1.255 20 5 EDBDRO C[C@@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1[NH3+] ZINC000841175783 594863663 /nfs/dbraw/zinc/86/36/63/594863663.db2.gz JADJCPVORUUHIQ-LDYMZIIASA-N 1 0 340.767 1.382 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000841189604 594865790 /nfs/dbraw/zinc/86/57/90/594865790.db2.gz OLJSPQPQYXRAHK-UHFFFAOYSA-N 1 0 348.403 1.878 20 5 EDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841201153 594867438 /nfs/dbraw/zinc/86/74/38/594867438.db2.gz RCEKLHHFXBQZGT-IUCAKERBSA-N 1 0 340.767 1.382 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCO1 ZINC000841233319 594873841 /nfs/dbraw/zinc/87/38/41/594873841.db2.gz QSNWLYGNCXQIFF-KCJUWKMLSA-N 1 0 328.756 1.828 20 5 EDBDRO Cc1c(-c2nc(-c3ccc([N+](=O)[O-])o3)no2)nnn1C1CC[NH2+]CC1 ZINC000843238774 595046542 /nfs/dbraw/zinc/04/65/42/595046542.db2.gz ZBAVTGHBGIULDD-UHFFFAOYSA-N 1 0 345.319 1.729 20 5 EDBDRO C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000843353753 595084501 /nfs/dbraw/zinc/08/45/01/595084501.db2.gz PAQSXCHKLSONLC-MWLCHTKSSA-N 1 0 326.784 1.856 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000842479892 595116375 /nfs/dbraw/zinc/11/63/75/595116375.db2.gz ICSROCICIOMGAZ-SKDRFNHKSA-N 1 0 345.808 1.539 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000842479947 595116462 /nfs/dbraw/zinc/11/64/62/595116462.db2.gz JVNBQDCRJAMZCQ-ZJUUUORDSA-N 1 0 347.824 1.962 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842485715 595120614 /nfs/dbraw/zinc/12/06/14/595120614.db2.gz RGXOXAIORWQQQY-CYBMUJFWSA-N 1 0 345.808 1.765 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1F ZINC000842699428 595174156 /nfs/dbraw/zinc/17/41/56/595174156.db2.gz OHRMLPOQCDCITC-GHMZBOCLSA-N 1 0 345.396 1.709 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc([N+](=O)[O-])c1F ZINC000842720242 595180087 /nfs/dbraw/zinc/18/00/87/595180087.db2.gz TZQKSMDHUNDQRC-MWLCHTKSSA-N 1 0 331.369 1.400 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])c1F ZINC000842726829 595182195 /nfs/dbraw/zinc/18/21/95/595182195.db2.gz OWXDMIBSUQYUOI-QWRGUYRKSA-N 1 0 345.396 1.790 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc([N+](=O)[O-])c1F ZINC000842764058 595191590 /nfs/dbraw/zinc/19/15/90/595191590.db2.gz JDEXOTPHCYSUGC-NXEZZACHSA-N 1 0 331.369 1.413 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc([N+](=O)[O-])c1F ZINC000842775890 595195038 /nfs/dbraw/zinc/19/50/38/595195038.db2.gz HAJYTJGTSRXDTQ-GFCCVEGCSA-N 1 0 345.396 1.661 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CO)Cc2ccc(F)cc2)c1 ZINC000843093303 595285948 /nfs/dbraw/zinc/28/59/48/595285948.db2.gz GIAAPDIDJVZXLL-RDJZCZTQSA-N 1 0 334.347 1.961 20 5 EDBDRO O=C([C@H]1CCC[NH2+]CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846668982 595296918 /nfs/dbraw/zinc/29/69/18/595296918.db2.gz WBYXZNHVGPAHSH-AWEZNQCLSA-N 1 0 332.404 1.633 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000857767229 595600992 /nfs/dbraw/zinc/60/09/92/595600992.db2.gz AOZSQCHPEFSKSW-LBPRGKRZSA-N 1 0 345.302 1.143 20 5 EDBDRO C[C@]12COC[C@H]1C[N@H+](Cn1cnc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000853567172 595807035 /nfs/dbraw/zinc/80/70/35/595807035.db2.gz ULVJAVACMUFIGV-CJNGLKHVSA-N 1 0 329.360 1.779 20 5 EDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000855809907 595828389 /nfs/dbraw/zinc/82/83/89/595828389.db2.gz OVHMKGNTCRHCOI-NSHDSACASA-N 1 0 333.392 1.709 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(C[C@@H]2[NH2+]Cc3ccccc32)n1 ZINC000854153038 595991803 /nfs/dbraw/zinc/99/18/03/595991803.db2.gz CSWVETCKDCBQFW-NSHDSACASA-N 1 0 326.316 1.765 20 5 EDBDRO COC(=O)c1ccnc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000856726387 596061130 /nfs/dbraw/zinc/06/11/30/596061130.db2.gz FHFWEMXGYOVCME-WDEREUQCSA-N 1 0 336.348 1.052 20 5 EDBDRO O=C(C[N@@H+]1CC[C@@H]2C[C@@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852636572 596214774 /nfs/dbraw/zinc/21/47/74/596214774.db2.gz XPIKEEFUGWEPRY-HUUCEWRRSA-N 1 0 344.415 1.585 20 5 EDBDRO O=C1OCCN1C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000852723214 596233341 /nfs/dbraw/zinc/23/33/41/596233341.db2.gz RQLQRXUGYYCCIL-UHFFFAOYSA-N 1 0 335.360 1.890 20 5 EDBDRO COC(=O)C1=CC[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000862464883 596333618 /nfs/dbraw/zinc/33/36/18/596333618.db2.gz LDJVNXUSPRQGDN-GFCCVEGCSA-N 1 0 334.328 1.717 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866826929 596368200 /nfs/dbraw/zinc/36/82/00/596368200.db2.gz FNQJCDUSYZCTDV-MNOVXSKESA-N 1 0 345.808 1.763 20 5 EDBDRO C[N@H+](CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863323350 596551512 /nfs/dbraw/zinc/55/15/12/596551512.db2.gz LSZMDLVHWWKPTK-VHDGCEQUSA-N 1 0 346.387 1.064 20 5 EDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000865485526 596588006 /nfs/dbraw/zinc/58/80/06/596588006.db2.gz RZJWNQZVFRMTMQ-IUCAKERBSA-N 1 0 349.313 1.622 20 5 EDBDRO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cs1 ZINC000119520202 596610699 /nfs/dbraw/zinc/61/06/99/596610699.db2.gz ZWYQXIGLANCSSX-SECBINFHSA-N 1 0 331.419 1.419 20 5 EDBDRO C[NH+](C)CC1CN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000866018187 596759853 /nfs/dbraw/zinc/75/98/53/596759853.db2.gz KEEIPZZJQLXLMG-UHFFFAOYSA-N 1 0 329.303 1.586 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000866206764 596826999 /nfs/dbraw/zinc/82/69/99/596826999.db2.gz FVQOJFKVPVGMJM-YPMHNXCESA-N 1 0 334.376 1.615 20 5 EDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CCO[C@H](C)C1 ZINC000866259955 596840585 /nfs/dbraw/zinc/84/05/85/596840585.db2.gz IHVDDFWPXGYILI-CHWSQXEVSA-N 1 0 325.384 1.975 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1F ZINC000124916263 596984920 /nfs/dbraw/zinc/98/49/20/596984920.db2.gz BWMCIJAKXMLVEP-NXEZZACHSA-N 1 0 331.369 1.591 20 5 EDBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000872663359 597018722 /nfs/dbraw/zinc/01/87/22/597018722.db2.gz KCFHLNOOLXBIAK-KGLIPLIRSA-N 1 0 325.390 1.452 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)CC[C@H]21 ZINC000872724111 597046356 /nfs/dbraw/zinc/04/63/56/597046356.db2.gz DRCWAPVDSVYQHF-XHDPSFHLSA-N 1 0 344.371 1.174 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c(C)c1[N+](=O)[O-] ZINC000874840570 597194209 /nfs/dbraw/zinc/19/42/09/597194209.db2.gz PJBCKTPXTYHYNM-ZIAGYGMSSA-N 1 0 335.408 1.493 20 5 EDBDRO COc1cc(C[NH+]2CCC3(CCNC3=O)CC2)c([N+](=O)[O-])cc1OC ZINC000877783262 597556022 /nfs/dbraw/zinc/55/60/22/597556022.db2.gz MABGWDBBIDSRDL-UHFFFAOYSA-N 1 0 349.387 1.714 20 5 EDBDRO O=C1OCC[C@H]1CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000877808231 597559538 /nfs/dbraw/zinc/55/95/38/597559538.db2.gz XDMXCSWXGFTMGT-CYBMUJFWSA-N 1 0 348.403 1.892 20 5 EDBDRO COc1cccc([C@@H]2CN(CCn3ccc([N+](=O)[O-])n3)CC[NH2+]2)c1 ZINC000879524883 597618307 /nfs/dbraw/zinc/61/83/07/597618307.db2.gz DQHXVTKIUYCQLG-HNNXBMFYSA-N 1 0 331.376 1.446 20 5 EDBDRO CN(C(=O)CN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000879574544 597637999 /nfs/dbraw/zinc/63/79/99/597637999.db2.gz BEYQTNSSZBCFCJ-XJKSGUPXSA-N 1 0 332.404 1.584 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000879576706 597639864 /nfs/dbraw/zinc/63/98/64/597639864.db2.gz XDGSEWPGHRVZMU-ZBFHGGJFSA-N 1 0 344.415 1.510 20 5 EDBDRO CC(C)(O)C1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000879627598 597665081 /nfs/dbraw/zinc/66/50/81/597665081.db2.gz LUOIVMGMQMWADM-CQSZACIVSA-N 1 0 338.404 1.817 20 5 EDBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+](C)C(C)C ZINC000132377742 597836012 /nfs/dbraw/zinc/83/60/12/597836012.db2.gz ZDZPISHIRFKJTO-UHFFFAOYSA-N 1 0 333.385 1.661 20 5 EDBDRO CC(C)[NH2+][C@H]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820138632 606704897 /nfs/dbraw/zinc/70/48/97/606704897.db2.gz ZWIMJRDYHLVYQI-JTQLQIEISA-N 1 0 332.368 1.137 20 5 EDBDRO CSCC(=O)N1CCC(C)([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000939934181 700050054 /nfs/dbraw/zinc/05/00/54/700050054.db2.gz LVSDFZFYNNSMMF-UHFFFAOYSA-N 1 0 341.437 1.162 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000918465503 697169499 /nfs/dbraw/zinc/16/94/99/697169499.db2.gz OSZOIXGZNPLHLB-CYBMUJFWSA-N 1 0 348.403 1.832 20 5 EDBDRO C/C=C(\C)C(=O)N1CCC(C)([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000940041113 700140963 /nfs/dbraw/zinc/14/09/63/700140963.db2.gz WUCFACRHGLDLNW-LFYBBSHMSA-N 1 0 335.408 1.765 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000920044679 697386142 /nfs/dbraw/zinc/38/61/42/697386142.db2.gz PVVICZZMNZDJAX-VHSXEESVSA-N 1 0 331.419 1.561 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CCc2ccccc2F)CC1 ZINC000996429733 702783801 /nfs/dbraw/zinc/78/38/01/702783801.db2.gz VDHBGMFHXGGYMG-GDBMZVCRSA-N 1 0 335.379 1.614 20 5 EDBDRO O=C(c1cn[nH]n1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000996755202 703043792 /nfs/dbraw/zinc/04/37/92/703043792.db2.gz BLSJYNQOGKVDIN-UHFFFAOYSA-N 1 0 330.348 1.107 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CC1CCN(C(=O)c2ccoc2)CC1 ZINC000997539615 703796083 /nfs/dbraw/zinc/79/60/83/703796083.db2.gz HOFIUNSXZWYWGO-UHFFFAOYSA-N 1 0 347.375 1.563 20 5 EDBDRO CCc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001034643966 710319930 /nfs/dbraw/zinc/31/99/30/710319930.db2.gz WCYVGNBQEDHYCZ-HBJVGIJOSA-N 1 0 336.392 1.419 20 5 EDBDRO O=C(Cc1ncc[nH]1)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001003842257 710678054 /nfs/dbraw/zinc/67/80/54/710678054.db2.gz KALQYWZWDJPJLJ-UHFFFAOYSA-N 1 0 343.387 1.641 20 5 EDBDRO [NH3+]C1CCC(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000051693416 214100503 /nfs/dbraw/zinc/10/05/03/214100503.db2.gz GLCDLWSVDUGDJA-UHFFFAOYSA-N 1 0 333.797 1.796 20 5 EDBDRO Cc1c(NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000103633343 219319152 /nfs/dbraw/zinc/31/91/52/219319152.db2.gz SBEHXOLBCGLQFI-UHFFFAOYSA-N 1 0 348.403 1.642 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000356160433 282807767 /nfs/dbraw/zinc/80/77/67/282807767.db2.gz BWKIBCIAOWPJPE-CQSZACIVSA-N 1 0 343.387 1.895 20 5 EDBDRO CC[NH+](CC)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000078350910 138257084 /nfs/dbraw/zinc/25/70/84/138257084.db2.gz VUTCDIASDXDJJS-UHFFFAOYSA-N 1 0 329.422 1.913 20 5 EDBDRO Cc1nc(Sc2nnnn2C[C@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000131979576 138368808 /nfs/dbraw/zinc/36/88/08/138368808.db2.gz PMFGVBFZNQSWCO-JTQLQIEISA-N 1 0 335.393 1.388 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000133368033 138392243 /nfs/dbraw/zinc/39/22/43/138392243.db2.gz CZRHIVHERNCOIG-UHFFFAOYSA-N 1 0 335.408 1.577 20 5 EDBDRO O=C1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]2CCCCN12 ZINC000563708955 306345688 /nfs/dbraw/zinc/34/56/88/306345688.db2.gz YUMFLDFDQCAIOA-CWRNSKLLSA-N 1 0 349.387 1.078 20 5 EDBDRO C[C@H]1CCC[N@H+](CCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000173509249 138671040 /nfs/dbraw/zinc/67/10/40/138671040.db2.gz DMBSEVNZNXEHNH-AWEZNQCLSA-N 1 0 334.420 1.879 20 5 EDBDRO CCS(=O)(=O)CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000414334108 304107393 /nfs/dbraw/zinc/10/73/93/304107393.db2.gz GCDSBUKKDPRZSS-QWHCGFSZSA-N 1 0 344.437 1.689 20 5 EDBDRO C[C@H](NC(=O)C(=O)N1CCC(CC[NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000566365960 306410499 /nfs/dbraw/zinc/41/04/99/306410499.db2.gz AJGGATZDBXILDZ-LBPRGKRZSA-N 1 0 348.403 1.359 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000566745335 306427448 /nfs/dbraw/zinc/42/74/48/306427448.db2.gz QWHRIEBRMRNLMS-VXGBXAGGSA-N 1 0 327.406 1.712 20 5 EDBDRO Cn1cc(CNC[C@H]2C[NH2+]CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415038904 304153487 /nfs/dbraw/zinc/15/34/87/304153487.db2.gz MICUAPQRQMQTJU-MRXNPFEDSA-N 1 0 345.403 1.463 20 5 EDBDRO COc1cc(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)ccc1[N+](=O)[O-] ZINC000194771512 139000451 /nfs/dbraw/zinc/00/04/51/139000451.db2.gz YWFAAZKTCYFSKD-GFCCVEGCSA-N 1 0 343.405 1.399 20 5 EDBDRO Cc1nn(C)c(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000110347720 220030701 /nfs/dbraw/zinc/03/07/01/220030701.db2.gz SKCJCGXABCJFDP-LBPRGKRZSA-N 1 0 345.403 1.887 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000078760462 217114824 /nfs/dbraw/zinc/11/48/24/217114824.db2.gz DROXNBYAGITHAY-AWEZNQCLSA-N 1 0 341.433 1.872 20 5 EDBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000236869278 139033739 /nfs/dbraw/zinc/03/37/39/139033739.db2.gz OGGKIFFAUUZHDV-UHFFFAOYSA-N 1 0 341.433 1.889 20 5 EDBDRO COc1ccc(S(=O)(=O)NCC2([NH3+])CCCCC2)c([N+](=O)[O-])c1 ZINC000237321291 139047803 /nfs/dbraw/zinc/04/78/03/139047803.db2.gz MCMOJLRIFISAJF-UHFFFAOYSA-N 1 0 343.405 1.543 20 5 EDBDRO COc1cc(OCC(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000237375816 139049685 /nfs/dbraw/zinc/04/96/85/139049685.db2.gz WMXACNNEHCKXKK-FOSCPWQOSA-N 1 0 335.360 1.381 20 5 EDBDRO Cc1c(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000237592691 139055189 /nfs/dbraw/zinc/05/51/89/139055189.db2.gz MMKQIJJTCWHDDW-WDEREUQCSA-N 1 0 344.375 1.306 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000237611249 139055700 /nfs/dbraw/zinc/05/57/00/139055700.db2.gz JNVHZAJCMPMQBI-UHFFFAOYSA-N 1 0 347.824 1.916 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)cc1C ZINC000237666825 139057386 /nfs/dbraw/zinc/05/73/86/139057386.db2.gz OLCBMIGXHSJFRG-CYBMUJFWSA-N 1 0 341.433 1.880 20 5 EDBDRO Cc1c(C(=O)NC2(C[NH3+])CCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000237772995 139059957 /nfs/dbraw/zinc/05/99/57/139059957.db2.gz JEPFARGHCPGSAT-UHFFFAOYSA-N 1 0 344.375 1.485 20 5 EDBDRO O=C(CC[N@H+]1CC[C@](O)(C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000081084991 217360023 /nfs/dbraw/zinc/36/00/23/217360023.db2.gz XKFPMZSQJLKGEZ-CYBMUJFWSA-N 1 0 347.293 1.923 20 5 EDBDRO COC(=O)[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000247073602 139134327 /nfs/dbraw/zinc/13/43/27/139134327.db2.gz VCZJNQFQWCNDCU-CMPLNLGQSA-N 1 0 337.376 1.971 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000415359844 304203592 /nfs/dbraw/zinc/20/35/92/304203592.db2.gz RTZLULQJLQQKNM-STQMWFEESA-N 1 0 348.403 1.654 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000266204784 249346106 /nfs/dbraw/zinc/34/61/06/249346106.db2.gz WSPQMBQIJYLYRG-AWEZNQCLSA-N 1 0 337.424 1.823 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCOc3ccc(F)cc32)c1 ZINC000568620893 306485488 /nfs/dbraw/zinc/48/54/88/306485488.db2.gz QPKFRVCAOFRFCK-OCCSQVGLSA-N 1 0 336.323 1.405 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000248370141 139160873 /nfs/dbraw/zinc/16/08/73/139160873.db2.gz XCPQKHCUUCOBQV-JKSUJKDBSA-N 1 0 335.404 1.505 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C[C@@H]12 ZINC000248633884 139169274 /nfs/dbraw/zinc/16/92/74/139169274.db2.gz PVHUSQHOTYPULJ-FXPVBKGRSA-N 1 0 329.353 1.092 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000092741882 218164313 /nfs/dbraw/zinc/16/43/13/218164313.db2.gz DQNZSFRMDOKZBL-YWPYICTPSA-N 1 0 339.417 1.651 20 5 EDBDRO Cc1cc(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000415412161 304216695 /nfs/dbraw/zinc/21/66/95/304216695.db2.gz BWCOXTMISIEOBR-CQSZACIVSA-N 1 0 333.392 1.415 20 5 EDBDRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000261641236 139213652 /nfs/dbraw/zinc/21/36/52/139213652.db2.gz WZIXMCFHCOMJLR-RDDDGLTNSA-N 1 0 328.166 1.919 20 5 EDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000261688909 139217643 /nfs/dbraw/zinc/21/76/43/139217643.db2.gz IJFMOSMBNKPIFS-NWDGAFQWSA-N 1 0 329.360 1.590 20 5 EDBDRO C[NH2+][C@@H](C)CNC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000261822035 139229099 /nfs/dbraw/zinc/22/90/99/139229099.db2.gz ULSOFFCDTHIWID-JTQLQIEISA-N 1 0 327.406 1.561 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@H]2C)cc1[N+](=O)[O-] ZINC000261811157 139228055 /nfs/dbraw/zinc/22/80/55/139228055.db2.gz ZSHXIMOQRAIFHL-KCJUWKMLSA-N 1 0 333.797 1.667 20 5 EDBDRO COCC1(CNC(=O)COc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261818236 139228608 /nfs/dbraw/zinc/22/86/08/139228608.db2.gz XQVSSCJNTRCIGN-UHFFFAOYSA-N 1 0 337.376 1.106 20 5 EDBDRO CS(=O)(=O)c1ccc(NCC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000262013916 139243962 /nfs/dbraw/zinc/24/39/62/139243962.db2.gz WSCIOVLATDKLQN-NSHDSACASA-N 1 0 327.406 1.800 20 5 EDBDRO CC(C)OC(=O)C[C@H](NC(=O)[C@@H](C)C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000262033784 139245491 /nfs/dbraw/zinc/24/54/91/139245491.db2.gz FIWQRUNNBBTYFW-AAEUAGOBSA-N 1 0 337.376 1.689 20 5 EDBDRO C[C@]1(C[NH3+])CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000262147837 139255161 /nfs/dbraw/zinc/25/51/61/139255161.db2.gz XIMQEYGAEQXFKM-MRXNPFEDSA-N 1 0 329.360 1.591 20 5 EDBDRO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1CCC[NH2+]1 ZINC000262179451 139257833 /nfs/dbraw/zinc/25/78/33/139257833.db2.gz INAMCGZNTRQRCL-DOTOQJQBSA-N 1 0 346.431 1.675 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000415765784 251022946 /nfs/dbraw/zinc/02/29/46/251022946.db2.gz RHRDREHORDKSMY-OAHLLOKOSA-N 1 0 347.419 1.669 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415570457 304227942 /nfs/dbraw/zinc/22/79/42/304227942.db2.gz LRBLJXKZEJZDCX-MRXNPFEDSA-N 1 0 334.376 1.348 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)c(C)cc1[N+](=O)[O-] ZINC000416406154 251067578 /nfs/dbraw/zinc/06/75/78/251067578.db2.gz DTLVLTMHUDGYEZ-GFCCVEGCSA-N 1 0 329.422 1.830 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417759865 251259604 /nfs/dbraw/zinc/25/96/04/251259604.db2.gz FHLQTCCEVJWBHE-QGZVFWFLSA-N 1 0 332.404 1.922 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000415578710 304230832 /nfs/dbraw/zinc/23/08/32/304230832.db2.gz IXTVSTWYOBXRHA-AWEZNQCLSA-N 1 0 347.419 1.723 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000417853359 251298742 /nfs/dbraw/zinc/29/87/42/251298742.db2.gz OXMKNSHVYCZCNU-OCCSQVGLSA-N 1 0 336.392 1.723 20 5 EDBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418784583 251433539 /nfs/dbraw/zinc/43/35/39/251433539.db2.gz HDCZFTNWOFMTAT-INIZCTEOSA-N 1 0 348.403 1.647 20 5 EDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420353553 251696562 /nfs/dbraw/zinc/69/65/62/251696562.db2.gz BDBYSYGPSYGFCU-SUMWQHHRSA-N 1 0 332.404 1.997 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000420443987 251723656 /nfs/dbraw/zinc/72/36/56/251723656.db2.gz LTITVXBOUHZJQO-ZDUSSCGKSA-N 1 0 327.406 1.546 20 5 EDBDRO COC(=O)c1cc(NC(=O)N(C)C2CC([NH3+])C2)c(C)c([N+](=O)[O-])c1 ZINC000415600388 304236580 /nfs/dbraw/zinc/23/65/80/304236580.db2.gz NZHGNUZNJRLHKK-UHFFFAOYSA-N 1 0 336.348 1.643 20 5 EDBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@@H]1C ZINC000262917081 139312558 /nfs/dbraw/zinc/31/25/58/139312558.db2.gz ZADFOOCZMMMCRG-VXGBXAGGSA-N 1 0 329.360 1.603 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424317680 252195120 /nfs/dbraw/zinc/19/51/20/252195120.db2.gz FIVQRMODYIKLHY-CHWSQXEVSA-N 1 0 348.403 1.770 20 5 EDBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000133031675 532972634 /nfs/dbraw/zinc/97/26/34/532972634.db2.gz JDZOMBWBNZGBOH-SECBINFHSA-N 1 0 333.797 1.539 20 5 EDBDRO COC[C@@]1(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000415630355 304242665 /nfs/dbraw/zinc/24/26/65/304242665.db2.gz KUKBXUZHOALLPY-AWEZNQCLSA-N 1 0 326.328 1.624 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000375774592 285125548 /nfs/dbraw/zinc/12/55/48/285125548.db2.gz MPIKYBNJIVKMQF-HIFRSBDPSA-N 1 0 336.348 1.538 20 5 EDBDRO NC(=O)[C@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000112622878 220358506 /nfs/dbraw/zinc/35/85/06/220358506.db2.gz AZLKQDPEUOLYSX-CYBMUJFWSA-N 1 0 330.344 1.742 20 5 EDBDRO O=[N+]([O-])c1cccc2ncnc(N3CCN([C@H]4CC[NH2+]C4)CC3)c21 ZINC000420271092 285158704 /nfs/dbraw/zinc/15/87/04/285158704.db2.gz ZJYRYSYZVIYIQO-LBPRGKRZSA-N 1 0 328.376 1.022 20 5 EDBDRO CCN1CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000570201933 306533149 /nfs/dbraw/zinc/53/31/49/306533149.db2.gz NZIHKWJEJIEEEC-HZPDHXFCSA-N 1 0 337.420 1.799 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@@H](C)C2)cc1SC ZINC000155048500 533132558 /nfs/dbraw/zinc/13/25/58/533132558.db2.gz LOSGJTSKZKBOFN-VIFPVBQESA-N 1 0 325.390 1.759 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000089952300 285189464 /nfs/dbraw/zinc/18/94/64/285189464.db2.gz WTGUKESJWIFHEI-OCCSQVGLSA-N 1 0 326.422 1.778 20 5 EDBDRO C[C@H]1[C@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415743476 304263727 /nfs/dbraw/zinc/26/37/27/304263727.db2.gz LWNIBZBXOKUDBV-OIBJUYFYSA-N 1 0 326.740 1.135 20 5 EDBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000341057271 296427129 /nfs/dbraw/zinc/42/71/29/296427129.db2.gz KCVUGFYQVAQZQC-CHWSQXEVSA-N 1 0 337.424 1.906 20 5 EDBDRO Cc1nn(CCC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000119352486 221301232 /nfs/dbraw/zinc/30/12/32/221301232.db2.gz QADIDHVJGLTRMW-GJZGRUSLSA-N 1 0 349.435 1.741 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@@H](C)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000264923970 139443468 /nfs/dbraw/zinc/44/34/68/139443468.db2.gz QILYFWTVRAFFEJ-NSHDSACASA-N 1 0 337.376 1.842 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000331781932 291990977 /nfs/dbraw/zinc/99/09/77/291990977.db2.gz DNSVWJWMZFXOTR-GXTWGEPZSA-N 1 0 339.417 1.584 20 5 EDBDRO COC(=O)c1cnc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000488723514 292030220 /nfs/dbraw/zinc/03/02/20/292030220.db2.gz WPUYRSDVTSUYBD-YRGRVCCFSA-N 1 0 348.403 1.943 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000270065639 140041060 /nfs/dbraw/zinc/04/10/60/140041060.db2.gz GDFZBPHDFCRYDH-CYBMUJFWSA-N 1 0 335.408 1.441 20 5 EDBDRO CS[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000270577118 140127422 /nfs/dbraw/zinc/12/74/22/140127422.db2.gz PNBFDVMKIDCQGW-QWHCGFSZSA-N 1 0 345.446 1.261 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)cc([N+](=O)[O-])c1F ZINC000271418364 140293240 /nfs/dbraw/zinc/29/32/40/140293240.db2.gz LGNYYWTYGOMOQE-SNVBAGLBSA-N 1 0 333.385 1.661 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000571801864 306574900 /nfs/dbraw/zinc/57/49/00/306574900.db2.gz FLIGLDFNUFFLPC-CYBMUJFWSA-N 1 0 347.371 1.928 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271739647 140342127 /nfs/dbraw/zinc/34/21/27/140342127.db2.gz VZCKXVMVXCMDSX-CYBMUJFWSA-N 1 0 338.408 1.923 20 5 EDBDRO C[C@H](CCCC[NH3+])Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000324290951 140663190 /nfs/dbraw/zinc/66/31/90/140663190.db2.gz JECPRGMFSFHJGG-LLVKDONJSA-N 1 0 344.437 1.775 20 5 EDBDRO CC[NH+]1C[C@@H](C)N(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000332252053 141147316 /nfs/dbraw/zinc/14/73/16/141147316.db2.gz MBRDDMIKTWMFAO-ZIAGYGMSSA-N 1 0 346.431 1.898 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000332324359 141162329 /nfs/dbraw/zinc/16/23/29/141162329.db2.gz RDWVRNIYFGMOKA-WCQYABFASA-N 1 0 336.396 1.136 20 5 EDBDRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000337311628 141570329 /nfs/dbraw/zinc/57/03/29/141570329.db2.gz VHJRZVZHLZSLPV-JSGCOSHPSA-N 1 0 327.406 1.402 20 5 EDBDRO CO[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000262115918 285708377 /nfs/dbraw/zinc/70/83/77/285708377.db2.gz KEJUNAKZLYQYQY-GHMZBOCLSA-N 1 0 327.768 1.827 20 5 EDBDRO COc1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000345384974 143084887 /nfs/dbraw/zinc/08/48/87/143084887.db2.gz AQXDFUNMQIPHHR-QWRGUYRKSA-N 1 0 343.405 1.364 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)n1 ZINC000346260970 143184536 /nfs/dbraw/zinc/18/45/36/143184536.db2.gz LOKFILMZMABHIF-JHJVBQTASA-N 1 0 335.408 1.614 20 5 EDBDRO Cn1c(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000347457196 143323890 /nfs/dbraw/zinc/32/38/90/143323890.db2.gz YLKLVOYBTKGREA-UHFFFAOYSA-N 1 0 349.435 1.033 20 5 EDBDRO Nc1c(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc(F)cc1[N+](=O)[O-] ZINC000369771868 155171554 /nfs/dbraw/zinc/17/15/54/155171554.db2.gz IGUKAKKKJUCVNR-GXFFZTMASA-N 1 0 336.367 1.920 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000355343279 150225651 /nfs/dbraw/zinc/22/56/51/150225651.db2.gz ZCBQYBCAJZPYDJ-CABCVRRESA-N 1 0 337.351 1.669 20 5 EDBDRO CC[N@H+](CCNc1nccc(C(N)=O)c1[N+](=O)[O-])CCC(F)(F)F ZINC000357656157 151103653 /nfs/dbraw/zinc/10/36/53/151103653.db2.gz CMAZFRMZJDWMFJ-UHFFFAOYSA-N 1 0 349.313 1.775 20 5 EDBDRO C[C@@H]1[C@@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CCC[N@@H+]1C ZINC000357944209 151205393 /nfs/dbraw/zinc/20/53/93/151205393.db2.gz UQGUHAUXIYMGNR-DOMZBBRYSA-N 1 0 348.403 1.982 20 5 EDBDRO Cc1c(NC(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)cccc1[N+](=O)[O-] ZINC000358382601 151356828 /nfs/dbraw/zinc/35/68/28/151356828.db2.gz JFPFTQFVKAGVKO-UHFFFAOYSA-N 1 0 346.387 1.610 20 5 EDBDRO CO[C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000359239712 151651360 /nfs/dbraw/zinc/65/13/60/151651360.db2.gz OCXOPISPKCJETQ-ZIAGYGMSSA-N 1 0 348.403 1.747 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000370082655 155317207 /nfs/dbraw/zinc/31/72/07/155317207.db2.gz OLYBZEXIWGZECQ-DOMZBBRYSA-N 1 0 348.403 1.568 20 5 EDBDRO CN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000360747159 152183229 /nfs/dbraw/zinc/18/32/29/152183229.db2.gz RNZCJRZMQZBYAA-AWEZNQCLSA-N 1 0 343.387 1.675 20 5 EDBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)C1 ZINC000370154575 155351566 /nfs/dbraw/zinc/35/15/66/155351566.db2.gz ACMVTFDLMYGWDS-CYBMUJFWSA-N 1 0 347.419 1.029 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000417175306 304380442 /nfs/dbraw/zinc/38/04/42/304380442.db2.gz IQEZOSYNCCECBR-NWDGAFQWSA-N 1 0 336.392 1.872 20 5 EDBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000370213951 155380390 /nfs/dbraw/zinc/38/03/90/155380390.db2.gz CXADKBGFRBDMLV-INIZCTEOSA-N 1 0 329.404 1.998 20 5 EDBDRO COc1ccc(CNC(=O)NCCC2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000417202787 304384285 /nfs/dbraw/zinc/38/42/85/304384285.db2.gz XVJZBIGTQZWMCJ-UHFFFAOYSA-N 1 0 334.376 1.712 20 5 EDBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000364932798 153375464 /nfs/dbraw/zinc/37/54/64/153375464.db2.gz JVMSGXVPFDRETI-PSKZRQQASA-N 1 0 333.388 1.523 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417223893 304385571 /nfs/dbraw/zinc/38/55/71/304385571.db2.gz HIYUVYVXDKUZEH-RBSFLKMASA-N 1 0 332.404 1.825 20 5 EDBDRO O=C(NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)Nc1ccncc1[N+](=O)[O-] ZINC000367791533 154272967 /nfs/dbraw/zinc/27/29/67/154272967.db2.gz DFGLJTDCNYDSHW-TZMCWYRMSA-N 1 0 349.391 1.034 20 5 EDBDRO COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000368054837 154388131 /nfs/dbraw/zinc/38/81/31/154388131.db2.gz MPORUUJNQJYHSF-LSDHHAIUSA-N 1 0 347.371 1.956 20 5 EDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)cs1 ZINC000372006030 156206280 /nfs/dbraw/zinc/20/62/80/156206280.db2.gz GSYSUNDGEFWFAY-HNNXBMFYSA-N 1 0 341.433 1.627 20 5 EDBDRO COc1cc(C(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)c([N+](=O)[O-])cc1OC ZINC000372438139 156389287 /nfs/dbraw/zinc/38/92/87/156389287.db2.gz FLFKQFPCLYMGJL-RTCCRHLQSA-N 1 0 335.360 1.706 20 5 EDBDRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000575058542 306663812 /nfs/dbraw/zinc/66/38/12/306663812.db2.gz HPNYKQXOVLSRCK-AWEZNQCLSA-N 1 0 330.348 1.122 20 5 EDBDRO Cn1ccnc1[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000374365838 157260910 /nfs/dbraw/zinc/26/09/10/157260910.db2.gz LVOUFKXPCREXLU-GFCCVEGCSA-N 1 0 330.344 1.723 20 5 EDBDRO Cc1ccc([C@H]2CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000374610078 157344250 /nfs/dbraw/zinc/34/42/50/157344250.db2.gz GHOWZLVHEJMSAS-RDJZCZTQSA-N 1 0 330.388 1.950 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)ccc1[N+](=O)[O-] ZINC000376677981 157814899 /nfs/dbraw/zinc/81/48/99/157814899.db2.gz FDKGFNCUGSPFNN-YPMHNXCESA-N 1 0 325.390 1.276 20 5 EDBDRO CC[N@H+](C[C@H](C)O)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000352231103 162062941 /nfs/dbraw/zinc/06/29/41/162062941.db2.gz OXSVZWHDVDYFCL-QWRGUYRKSA-N 1 0 325.365 1.633 20 5 EDBDRO C[C@H]1[C@H]([NH3+])CCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417998383 304444269 /nfs/dbraw/zinc/44/42/69/304444269.db2.gz UZWSAGSVUULJFG-JOYOIKCWSA-N 1 0 326.784 1.922 20 5 EDBDRO CC(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000067419444 287245664 /nfs/dbraw/zinc/24/56/64/287245664.db2.gz ASRSKTXUNCJJGD-AWEZNQCLSA-N 1 0 348.403 1.772 20 5 EDBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000163588436 225994249 /nfs/dbraw/zinc/99/42/49/225994249.db2.gz LJXJMTPNHFPUJV-VXGBXAGGSA-N 1 0 337.424 1.815 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000164561918 226081599 /nfs/dbraw/zinc/08/15/99/226081599.db2.gz MQQMTPNVOXGVNF-UHFFFAOYSA-N 1 0 335.408 1.666 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000122585852 222118645 /nfs/dbraw/zinc/11/86/45/222118645.db2.gz IYRSXQMESQFOQE-CQSZACIVSA-N 1 0 343.387 1.723 20 5 EDBDRO C[C@@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000271731254 273023833 /nfs/dbraw/zinc/02/38/33/273023833.db2.gz NGBBDLIHAMUREO-OLZOCXBDSA-N 1 0 336.392 1.628 20 5 EDBDRO O=[N+]([O-])c1cnc(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)nc1 ZINC000273719494 268077150 /nfs/dbraw/zinc/07/71/50/268077150.db2.gz GLNRCZBEIHLQJH-GOEBONIOSA-N 1 0 343.387 1.680 20 5 EDBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](CCO)C(C)C)c([N+](=O)[O-])c1 ZINC000274011547 268097492 /nfs/dbraw/zinc/09/74/92/268097492.db2.gz LVVISVPXALJBIL-ZDUSSCGKSA-N 1 0 339.392 1.929 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](CCO)C(C)C ZINC000274031131 268099805 /nfs/dbraw/zinc/09/98/05/268099805.db2.gz NSVUGFYAZQZKNK-AAEUAGOBSA-N 1 0 339.392 1.927 20 5 EDBDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])C1 ZINC000274619184 268170366 /nfs/dbraw/zinc/17/03/66/268170366.db2.gz VUNJDRZZDVZCRO-LLVKDONJSA-N 1 0 339.348 1.629 20 5 EDBDRO C[NH+](C)C1(CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CCC1 ZINC000275376640 268332410 /nfs/dbraw/zinc/33/24/10/268332410.db2.gz AQEHKHGNTPQICY-UHFFFAOYSA-N 1 0 328.394 1.138 20 5 EDBDRO C[C@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000275565613 268361544 /nfs/dbraw/zinc/36/15/44/268361544.db2.gz OCDWHVOOEWGALA-NWDGAFQWSA-N 1 0 343.387 1.803 20 5 EDBDRO CC[C@@H](C(N)=O)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000273998568 273065522 /nfs/dbraw/zinc/06/55/22/273065522.db2.gz JMWCUFGOUUFYFX-AWEZNQCLSA-N 1 0 346.391 1.247 20 5 EDBDRO Cc1nn(C)c(C(=O)NCc2ccc(CC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000276249006 273155173 /nfs/dbraw/zinc/15/51/73/273155173.db2.gz NBJFZTLEHKWLDQ-UHFFFAOYSA-N 1 0 345.403 1.671 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])NCC1CC[NH+](C2CC2)CC1 ZINC000279112703 273280656 /nfs/dbraw/zinc/28/06/56/273280656.db2.gz UNXJZHAQSFHVDF-UHFFFAOYSA-N 1 0 333.388 1.964 20 5 EDBDRO C[C@H](CO)[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000280576051 273373039 /nfs/dbraw/zinc/37/30/39/273373039.db2.gz SKQMTRWHVOGHSB-CJNGLKHVSA-N 1 0 338.404 1.817 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000282296903 273624591 /nfs/dbraw/zinc/62/45/91/273624591.db2.gz BDKCIJNGVXLIPR-JTQLQIEISA-N 1 0 338.339 1.143 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)[C@@H]2C1 ZINC000284462726 274210992 /nfs/dbraw/zinc/21/09/92/274210992.db2.gz AOHMWNSZYQUFME-CVEARBPZSA-N 1 0 349.387 1.366 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420188681 274504060 /nfs/dbraw/zinc/50/40/60/274504060.db2.gz OMBQBZSALJNZOQ-GOEBONIOSA-N 1 0 348.447 1.991 20 5 EDBDRO Cc1c(C[NH+]2CCC(CNS(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000285384989 274524878 /nfs/dbraw/zinc/52/48/78/274524878.db2.gz GXPCWTMVLWGLAN-UHFFFAOYSA-N 1 0 341.433 1.664 20 5 EDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000286005620 287912879 /nfs/dbraw/zinc/91/28/79/287912879.db2.gz IXWMMQJNUBYBES-GIZXNFQBSA-N 1 0 330.388 1.114 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000286117581 287939512 /nfs/dbraw/zinc/93/95/12/287939512.db2.gz OHPOSOTYWMXSQG-DGCLKSJQSA-N 1 0 329.360 1.508 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272566215 277175567 /nfs/dbraw/zinc/17/55/67/277175567.db2.gz FINFSJNNEFFXDI-IINYFYTJSA-N 1 0 334.332 1.669 20 5 EDBDRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000353103785 278109100 /nfs/dbraw/zinc/10/91/00/278109100.db2.gz TTXXFFMLDVZXDO-AWEZNQCLSA-N 1 0 327.406 1.499 20 5 EDBDRO C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000120290545 278336167 /nfs/dbraw/zinc/33/61/67/278336167.db2.gz XFNBZCXGHUIUTC-LLVKDONJSA-N 1 0 327.406 1.669 20 5 EDBDRO CCOC1CC(N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000287008864 288136359 /nfs/dbraw/zinc/13/63/59/288136359.db2.gz QOBBHTDAZWNJPZ-UHFFFAOYSA-N 1 0 333.388 1.983 20 5 EDBDRO C[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C[NH+]1CCOCC1 ZINC000287122176 288160852 /nfs/dbraw/zinc/16/08/52/288160852.db2.gz CTRCZLKULITNRF-LLVKDONJSA-N 1 0 347.375 1.624 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000447245732 280656045 /nfs/dbraw/zinc/65/60/45/280656045.db2.gz NPEQWULIMKIOTQ-RYUDHWBXSA-N 1 0 327.406 1.569 20 5 EDBDRO CCOC(=O)c1cc(N2CCC([NH2+]CCO)CC2)ccc1[N+](=O)[O-] ZINC000290907397 288972827 /nfs/dbraw/zinc/97/28/27/288972827.db2.gz GGNHJQPGQASBHU-UHFFFAOYSA-N 1 0 337.376 1.322 20 5 EDBDRO C[N@@H+]1CC[C@@]2(CCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000292110038 289263590 /nfs/dbraw/zinc/26/35/90/289263590.db2.gz IXRKXVGVRPVWLG-GOSISDBHSA-N 1 0 344.415 1.512 20 5 EDBDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000293344671 289588980 /nfs/dbraw/zinc/58/89/80/289588980.db2.gz ZZUCAFUIQZOFFW-SECBINFHSA-N 1 0 342.783 1.501 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])C[C@@H]12 ZINC000420232516 295323669 /nfs/dbraw/zinc/32/36/69/295323669.db2.gz UQQCYJQEXMHBNO-IACUBPJLSA-N 1 0 330.388 1.661 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)NC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000419269809 304584551 /nfs/dbraw/zinc/58/45/51/304584551.db2.gz MMQYFUQSDCGDPG-LMWSTFAQSA-N 1 0 348.403 1.467 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000419757481 304680703 /nfs/dbraw/zinc/68/07/03/304680703.db2.gz IRQHOOTVPMWMDF-LBPRGKRZSA-N 1 0 348.403 1.105 20 5 EDBDRO COc1cc(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)ccc1[N+](=O)[O-] ZINC000420450242 304760244 /nfs/dbraw/zinc/76/02/44/304760244.db2.gz OWKPDHJCSBHEOE-LBPRGKRZSA-N 1 0 331.394 1.255 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000420470025 304762451 /nfs/dbraw/zinc/76/24/51/304762451.db2.gz PYBHRPNAOXEVEP-RYUDHWBXSA-N 1 0 327.406 1.699 20 5 EDBDRO C[C@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000420483863 304764145 /nfs/dbraw/zinc/76/41/45/304764145.db2.gz WZNFYGMVHMUZMD-GXTWGEPZSA-N 1 0 341.433 1.384 20 5 EDBDRO COc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000294881369 303152531 /nfs/dbraw/zinc/15/25/31/303152531.db2.gz IAYGFLLAUZZVFY-RNCFNFMXSA-N 1 0 325.340 1.765 20 5 EDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000294964447 303157664 /nfs/dbraw/zinc/15/76/64/303157664.db2.gz LGBWNFXKRRMBQD-LLVKDONJSA-N 1 0 333.392 1.753 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296033807 303290964 /nfs/dbraw/zinc/29/09/64/303290964.db2.gz ZZFUZUKKWHUMCF-ZDUSSCGKSA-N 1 0 333.388 1.968 20 5 EDBDRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298246265 303509367 /nfs/dbraw/zinc/50/93/67/303509367.db2.gz STFFWXKRHGPRFM-VIFPVBQESA-N 1 0 342.783 1.643 20 5 EDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000422962163 304881301 /nfs/dbraw/zinc/88/13/01/304881301.db2.gz FBEGUVHFFDAZGW-HNNXBMFYSA-N 1 0 329.360 1.646 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000423663957 304903479 /nfs/dbraw/zinc/90/34/79/304903479.db2.gz DVWBPHOQAJYRTL-QMTHXVAHSA-N 1 0 335.360 1.581 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1[NH3+] ZINC000423944719 304920307 /nfs/dbraw/zinc/92/03/07/304920307.db2.gz HJRAWRVBYYVJJB-WRWORJQWSA-N 1 0 328.166 1.777 20 5 EDBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000424003295 304924403 /nfs/dbraw/zinc/92/44/03/304924403.db2.gz PHOXCLSQAKDDLM-JKSUJKDBSA-N 1 0 333.388 1.953 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000428792415 305017672 /nfs/dbraw/zinc/01/76/72/305017672.db2.gz WDZFZSWUGJCLAH-GFCCVEGCSA-N 1 0 349.387 1.367 20 5 EDBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435235583 305137498 /nfs/dbraw/zinc/13/74/98/305137498.db2.gz NRZLKLNYAJHPPI-OAHLLOKOSA-N 1 0 346.387 1.068 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000447250684 305276192 /nfs/dbraw/zinc/27/61/92/305276192.db2.gz RCPZORGZSOFOAP-WDEREUQCSA-N 1 0 327.406 1.515 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447580338 305282550 /nfs/dbraw/zinc/28/25/50/305282550.db2.gz NXKURQQTDBEREE-RQJABVFESA-N 1 0 335.408 1.779 20 5 EDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(OCCO)CCOCC1 ZINC000449308701 305310764 /nfs/dbraw/zinc/31/07/64/305310764.db2.gz ZDXHYFXDCWKOGP-AWEZNQCLSA-N 1 0 338.404 1.674 20 5 EDBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000451586008 305355051 /nfs/dbraw/zinc/35/50/51/305355051.db2.gz FIYXDOLSCSYJTA-CABCVRRESA-N 1 0 349.387 1.879 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000451636133 305358048 /nfs/dbraw/zinc/35/80/48/305358048.db2.gz VSDGKCHNGCNDRU-CJNGLKHVSA-N 1 0 332.404 1.868 20 5 EDBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000457119797 305482956 /nfs/dbraw/zinc/48/29/56/305482956.db2.gz ISAWEKJUYHOMAE-KBPBESRZSA-N 1 0 347.419 1.511 20 5 EDBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000494917883 305633781 /nfs/dbraw/zinc/63/37/81/305633781.db2.gz NMIKZCVCYLFUNI-YPMHNXCESA-N 1 0 347.371 1.119 20 5 EDBDRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000495388804 305638643 /nfs/dbraw/zinc/63/86/43/305638643.db2.gz YAYSGRQPIXBKSL-UHFFFAOYSA-N 1 0 327.385 1.684 20 5 EDBDRO CCN(CC)S(=O)(=O)c1ccc(OCCC[NH2+]C)c([N+](=O)[O-])c1 ZINC000515380657 305720286 /nfs/dbraw/zinc/72/02/86/305720286.db2.gz DEBQYKKAIFRLAL-UHFFFAOYSA-N 1 0 345.421 1.614 20 5 EDBDRO CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515467607 305722504 /nfs/dbraw/zinc/72/25/04/305722504.db2.gz FSZFRJGASVRGGJ-NWANDNLSSA-N 1 0 340.424 1.583 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccccc1CO ZINC000519715365 305773413 /nfs/dbraw/zinc/77/34/13/305773413.db2.gz WLNHQRFTHKDWRP-HNNXBMFYSA-N 1 0 332.356 1.617 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000521461144 305789981 /nfs/dbraw/zinc/78/99/81/305789981.db2.gz WVGRAZIVACWYFU-GFCCVEGCSA-N 1 0 336.392 1.008 20 5 EDBDRO C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554876338 306198926 /nfs/dbraw/zinc/19/89/26/306198926.db2.gz GSOILSVHXBPPCF-OCCSQVGLSA-N 1 0 343.387 1.958 20 5 EDBDRO C[C@@H](CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000046408817 441107008 /nfs/dbraw/zinc/10/70/08/441107008.db2.gz YGTNGUKMXMFFRE-ZDUSSCGKSA-N 1 0 348.403 1.315 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc([N+](=O)[O-])c1 ZINC000057721165 441131063 /nfs/dbraw/zinc/13/10/63/441131063.db2.gz DELJFNLALHXSIH-NSHDSACASA-N 1 0 349.387 1.984 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C[C@H]2CC[N@H+](C)C2)c1C ZINC000104748527 441203933 /nfs/dbraw/zinc/20/39/33/441203933.db2.gz LLAFUMOGCUAADP-ZDUSSCGKSA-N 1 0 341.433 1.784 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000072904818 441275567 /nfs/dbraw/zinc/27/55/67/441275567.db2.gz AXJSSICQDLKQMZ-UHFFFAOYSA-N 1 0 338.433 1.510 20 5 EDBDRO Cc1ccc(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000106580373 441359392 /nfs/dbraw/zinc/35/93/92/441359392.db2.gz OSMJUDURPOXDPU-CYBMUJFWSA-N 1 0 335.408 1.661 20 5 EDBDRO C[NH+](C)CCCOc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000107193604 441402774 /nfs/dbraw/zinc/40/27/74/441402774.db2.gz UUMVVBJZILNMFH-UHFFFAOYSA-N 1 0 348.363 1.156 20 5 EDBDRO C[NH+](C)CCn1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000087235119 441484158 /nfs/dbraw/zinc/48/41/58/441484158.db2.gz AGVXSMWMEXPCKZ-UHFFFAOYSA-N 1 0 331.376 1.924 20 5 EDBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000053016713 441493244 /nfs/dbraw/zinc/49/32/44/441493244.db2.gz JTCWAHNCKQTXKY-UHFFFAOYSA-N 1 0 345.403 1.948 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000108406638 441452933 /nfs/dbraw/zinc/45/29/33/441452933.db2.gz HUXAJARFKFAKOS-ZDUSSCGKSA-N 1 0 327.406 1.356 20 5 EDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108543854 441463199 /nfs/dbraw/zinc/46/31/99/441463199.db2.gz WNKPORDGTVRREG-CQSZACIVSA-N 1 0 347.419 1.790 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCn1cccn1 ZINC000111281180 441531057 /nfs/dbraw/zinc/53/10/57/441531057.db2.gz ARFLRNRGMXUJDP-UHFFFAOYSA-N 1 0 347.375 1.761 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000075889401 441563463 /nfs/dbraw/zinc/56/34/63/441563463.db2.gz KZWYKCNBSAUAAW-MRXNPFEDSA-N 1 0 335.404 1.770 20 5 EDBDRO CC(C)[NH2+]CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000036299722 441606402 /nfs/dbraw/zinc/60/64/02/441606402.db2.gz FJCAKXDIERSTID-UHFFFAOYSA-N 1 0 335.813 1.915 20 5 EDBDRO CC(C)[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000090015521 441614565 /nfs/dbraw/zinc/61/45/65/441614565.db2.gz VVOVRQSBMSDWOS-HNNXBMFYSA-N 1 0 341.433 1.897 20 5 EDBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067190804 441616165 /nfs/dbraw/zinc/61/61/65/441616165.db2.gz NTFYGUFCVXXOKE-LLVKDONJSA-N 1 0 347.371 1.580 20 5 EDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000076645686 441669078 /nfs/dbraw/zinc/66/90/78/441669078.db2.gz MGERBEAWAAEYNQ-CYBMUJFWSA-N 1 0 348.403 1.724 20 5 EDBDRO O=C(NC1CC1)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000055912186 441673421 /nfs/dbraw/zinc/67/34/21/441673421.db2.gz VTMBVHMRQNLNNJ-UHFFFAOYSA-N 1 0 333.388 1.964 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068132477 441740573 /nfs/dbraw/zinc/74/05/73/441740573.db2.gz XLCIMPQBOCTKQR-CQSZACIVSA-N 1 0 335.408 1.577 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000115586298 441761910 /nfs/dbraw/zinc/76/19/10/441761910.db2.gz QENSFRIYAKZJLJ-CYBMUJFWSA-N 1 0 341.433 1.866 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC1CC[NH+](C)CC1 ZINC000121523174 441724293 /nfs/dbraw/zinc/72/42/93/441724293.db2.gz KGCYWOSJYZPKBT-UHFFFAOYSA-N 1 0 348.403 1.608 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000068961086 441874644 /nfs/dbraw/zinc/87/46/44/441874644.db2.gz GGZBOCXWTKIDKO-ZDUSSCGKSA-N 1 0 341.433 1.994 20 5 EDBDRO C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CN1C1CC1 ZINC000124141736 441910202 /nfs/dbraw/zinc/91/02/02/441910202.db2.gz TWGBJIROEOSGIM-UWVGGRQHSA-N 1 0 343.380 1.637 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C[NH3+])CC(C)C ZINC000124236082 441912023 /nfs/dbraw/zinc/91/20/23/441912023.db2.gz UXQWPVHTIFPHIE-GFCCVEGCSA-N 1 0 329.422 1.809 20 5 EDBDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc([N+](=O)[O-])o1 ZINC000160723257 441912957 /nfs/dbraw/zinc/91/29/57/441912957.db2.gz HEIMUZZCTXYHQF-OLZOCXBDSA-N 1 0 337.376 1.686 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000069109652 441891715 /nfs/dbraw/zinc/89/17/15/441891715.db2.gz NRXDFXKAAYIHML-HZPDHXFCSA-N 1 0 348.403 1.900 20 5 EDBDRO CC(C)[C@H](C)NC(=O)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174838078 441974187 /nfs/dbraw/zinc/97/41/87/441974187.db2.gz MDMGXBKWYOEKCJ-ZDUSSCGKSA-N 1 0 337.424 1.664 20 5 EDBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000120148260 442016266 /nfs/dbraw/zinc/01/62/66/442016266.db2.gz CETFGQPTFWACOZ-YUELXQCFSA-N 1 0 333.388 1.939 20 5 EDBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000175360994 442048917 /nfs/dbraw/zinc/04/89/17/442048917.db2.gz AHWSNOZLZQYHES-UHFFFAOYSA-N 1 0 345.421 1.614 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000175390243 442053744 /nfs/dbraw/zinc/05/37/44/442053744.db2.gz IOGNGXXBZIOTTL-CYBMUJFWSA-N 1 0 327.406 1.700 20 5 EDBDRO COc1ccc(CN2CC[NH+](C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000175495463 442074043 /nfs/dbraw/zinc/07/40/43/442074043.db2.gz GEPYDEFXBRWISJ-UHFFFAOYSA-N 1 0 335.404 1.900 20 5 EDBDRO COc1ccc(OCC[N@H+](C)[C@H](C)C[S@](C)=O)c([N+](=O)[O-])c1 ZINC000126328502 442101012 /nfs/dbraw/zinc/10/10/12/442101012.db2.gz GCFPBHVZHHBYSB-RKFFSXRUSA-N 1 0 330.406 1.681 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000121328652 442203990 /nfs/dbraw/zinc/20/39/90/442203990.db2.gz RFYKYIYQICREBL-LBPRGKRZSA-N 1 0 334.376 1.313 20 5 EDBDRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000127271692 442188297 /nfs/dbraw/zinc/18/82/97/442188297.db2.gz ZSZWMNFOSAWZSY-PHIMTYICSA-N 1 0 348.359 1.054 20 5 EDBDRO CCCCN(C)C(=O)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176212909 442192194 /nfs/dbraw/zinc/19/21/94/442192194.db2.gz FXVJWSNHBGHOHU-UHFFFAOYSA-N 1 0 337.424 1.762 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127404586 442200075 /nfs/dbraw/zinc/20/00/75/442200075.db2.gz HIHBSHUBLKYQNC-CQSZACIVSA-N 1 0 335.408 1.434 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(C3CCOCC3)CC2)c1 ZINC000153328394 442275352 /nfs/dbraw/zinc/27/53/52/442275352.db2.gz GOFYDTGLPBSOHG-INIZCTEOSA-N 1 0 338.408 1.291 20 5 EDBDRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000130661770 442352764 /nfs/dbraw/zinc/35/27/64/442352764.db2.gz IHOOWMOXOZYJPV-KBPBESRZSA-N 1 0 346.387 1.118 20 5 EDBDRO Cc1cc(C(=O)NCCN2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000177155806 442306562 /nfs/dbraw/zinc/30/65/62/442306562.db2.gz JXEGMYZXJQTLTN-UHFFFAOYSA-N 1 0 334.420 1.659 20 5 EDBDRO COCCC[NH+]1CCC(NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000171123489 442316118 /nfs/dbraw/zinc/31/61/18/442316118.db2.gz FCNJZPZKQXGLPB-UHFFFAOYSA-N 1 0 327.406 1.887 20 5 EDBDRO C[C@H]([NH3+])C1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000178900638 442519684 /nfs/dbraw/zinc/51/96/84/442519684.db2.gz YGOXABOBYDOYNK-NSHDSACASA-N 1 0 327.406 1.484 20 5 EDBDRO CCCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CC[NH2+]C1 ZINC000178912468 442523269 /nfs/dbraw/zinc/52/32/69/442523269.db2.gz GTEPHGLZWGVMAM-OAHLLOKOSA-N 1 0 343.387 1.995 20 5 EDBDRO C[C@@H]([NH2+]CC(=O)NC(=O)NCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000180426638 442601591 /nfs/dbraw/zinc/60/15/91/442601591.db2.gz WNEQLHQDZKMZRL-LLVKDONJSA-N 1 0 346.343 1.864 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000186956790 442636202 /nfs/dbraw/zinc/63/62/02/442636202.db2.gz APEDWULJCZVFRY-ZIAGYGMSSA-N 1 0 335.404 1.441 20 5 EDBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1CCO ZINC000187131548 442654568 /nfs/dbraw/zinc/65/45/68/442654568.db2.gz QAJYBIKEOZMPIG-SNVBAGLBSA-N 1 0 342.783 1.779 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH3+])C2)cc1SC ZINC000157879712 442623613 /nfs/dbraw/zinc/62/36/13/442623613.db2.gz UUVLMSXYTMOJSU-SECBINFHSA-N 1 0 325.390 1.889 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000192661800 442673990 /nfs/dbraw/zinc/67/39/90/442673990.db2.gz GWPXDSWTZVEYJT-BDJLRTHQSA-N 1 0 332.360 1.638 20 5 EDBDRO COc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000193201734 442722146 /nfs/dbraw/zinc/72/21/46/442722146.db2.gz PRIFORCLFZSGDO-UHFFFAOYSA-N 1 0 343.405 1.318 20 5 EDBDRO [NH3+]Cc1cc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)co1 ZINC000188222411 442726377 /nfs/dbraw/zinc/72/63/77/442726377.db2.gz OFOPNSFVIIAPFS-LLVKDONJSA-N 1 0 331.332 1.368 20 5 EDBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000188227734 442726527 /nfs/dbraw/zinc/72/65/27/442726527.db2.gz CSDVDVFPRIOSCJ-QWHCGFSZSA-N 1 0 341.433 1.994 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000182075460 442733928 /nfs/dbraw/zinc/73/39/28/442733928.db2.gz HWQAAWBGHKFWDK-ZDUSSCGKSA-N 1 0 345.403 1.736 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000193496591 442748861 /nfs/dbraw/zinc/74/88/61/442748861.db2.gz QPLQTLYRLVHXTR-AAEUAGOBSA-N 1 0 329.360 1.651 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H](CO)c1ccccc1 ZINC000182393744 442763303 /nfs/dbraw/zinc/76/33/03/442763303.db2.gz PBSFHXXALNEMOS-GJZGRUSLSA-N 1 0 332.356 1.658 20 5 EDBDRO CN(C)c1cc[nH+]cc1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188562056 442763980 /nfs/dbraw/zinc/76/39/80/442763980.db2.gz GAHAVSMBVQVVBO-UHFFFAOYSA-N 1 0 342.355 1.959 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000193667541 442765672 /nfs/dbraw/zinc/76/56/72/442765672.db2.gz GOZAOYZLQJLZBM-GFCCVEGCSA-N 1 0 348.403 1.624 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268080544 442839358 /nfs/dbraw/zinc/83/93/58/442839358.db2.gz CYVYKJFSKQJCKF-UHFFFAOYSA-N 1 0 344.799 1.626 20 5 EDBDRO CCOC(=O)c1ccnc(N[C@@H]2CC[N@H+](CCOC)C2)c1[N+](=O)[O-] ZINC000265605343 442842867 /nfs/dbraw/zinc/84/28/67/442842867.db2.gz SWLHXMWIJFDLPP-LLVKDONJSA-N 1 0 338.364 1.299 20 5 EDBDRO O=C1[C@@H](N2CC[N@@H+]3CCCC[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000248369439 442887909 /nfs/dbraw/zinc/88/79/09/442887909.db2.gz WGTRCVXMDYQEJQ-IRXDYDNUSA-N 1 0 344.415 1.870 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194746028 442948801 /nfs/dbraw/zinc/94/88/01/442948801.db2.gz CILAEAUMXFSQEX-AWEZNQCLSA-N 1 0 343.387 1.580 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000194670623 442935181 /nfs/dbraw/zinc/93/51/81/442935181.db2.gz MOTXMLUHWNGAEA-UHFFFAOYSA-N 1 0 348.403 1.983 20 5 EDBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])C2)CC1 ZINC000183592901 442944429 /nfs/dbraw/zinc/94/44/29/442944429.db2.gz MLKMAXGGXVTWOQ-ZDUSSCGKSA-N 1 0 348.407 1.234 20 5 EDBDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000184084875 442990386 /nfs/dbraw/zinc/99/03/86/442990386.db2.gz VRNTXRPXARRODA-UHFFFAOYSA-N 1 0 329.422 1.602 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000266140669 443033457 /nfs/dbraw/zinc/03/34/57/443033457.db2.gz FOHDILILCXSAIJ-XUJVJEKNSA-N 1 0 348.403 1.122 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1[NH+](C)C ZINC000266203009 443056156 /nfs/dbraw/zinc/05/61/56/443056156.db2.gz OTNWSWSKTLHEAB-MEBBXXQBSA-N 1 0 344.371 1.871 20 5 EDBDRO C[C@@H](CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000254999467 443080286 /nfs/dbraw/zinc/08/02/86/443080286.db2.gz NXNUJJUBUIFMRM-LZNQSLFOSA-N 1 0 346.431 1.608 20 5 EDBDRO COc1ccc(NC(=O)CN(C)[C@@H](C)C[S@](C)=O)c([N+](=O)[O-])c1 ZINC000185136053 443144377 /nfs/dbraw/zinc/14/43/77/443144377.db2.gz ONTWROSWMKZKQD-VCGICTTQSA-N 1 0 343.405 1.241 20 5 EDBDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000185233642 443166480 /nfs/dbraw/zinc/16/64/80/443166480.db2.gz NRMZQKLIUORJEQ-UHFFFAOYSA-N 1 0 331.369 1.449 20 5 EDBDRO CN(CC(=O)N1CC[NH2+]CC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000261819716 443170865 /nfs/dbraw/zinc/17/08/65/443170865.db2.gz AQBJXUSYWIHNQK-UHFFFAOYSA-N 1 0 326.784 1.112 20 5 EDBDRO C[C@@H]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1C[NH3+] ZINC000237449191 443171803 /nfs/dbraw/zinc/17/18/03/443171803.db2.gz IKAQWJKASRMJPP-MLGOLLRUSA-N 1 0 343.387 1.980 20 5 EDBDRO Cc1cnc([C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)s1 ZINC000185276327 443174065 /nfs/dbraw/zinc/17/40/65/443174065.db2.gz DRTULNXBYRRYKX-QWHCGFSZSA-N 1 0 337.405 1.658 20 5 EDBDRO [NH3+]Cc1cc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)ccn1 ZINC000262193973 443185507 /nfs/dbraw/zinc/18/55/07/443185507.db2.gz JTVQHAIPINHVPR-UHFFFAOYSA-N 1 0 341.371 1.411 20 5 EDBDRO COc1ccccc1C(C)(C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266642936 443195281 /nfs/dbraw/zinc/19/52/81/443195281.db2.gz BRRABFIWOZFJRE-CYBMUJFWSA-N 1 0 334.376 1.686 20 5 EDBDRO COc1cc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000262744580 443209832 /nfs/dbraw/zinc/20/98/32/443209832.db2.gz LBOHUIFQYOMWRA-JQWIXIFHSA-N 1 0 343.405 1.494 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000262797760 443213322 /nfs/dbraw/zinc/21/33/22/443213322.db2.gz UONJHCRHWIXXPO-VXGBXAGGSA-N 1 0 327.406 1.583 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1C ZINC000382425266 319123573 /nfs/dbraw/zinc/12/35/73/319123573.db2.gz MDYSBIASNWHDAC-VXGBXAGGSA-N 1 0 327.406 1.617 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397423824 319134647 /nfs/dbraw/zinc/13/46/47/319134647.db2.gz WELPEGYYGZQUIO-UPJWGTAASA-N 1 0 341.433 1.897 20 5 EDBDRO CC[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000412872682 319246132 /nfs/dbraw/zinc/24/61/32/319246132.db2.gz HJYLAISTGNTNNF-CYBMUJFWSA-N 1 0 348.403 1.255 20 5 EDBDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1C ZINC000414062377 319314677 /nfs/dbraw/zinc/31/46/77/319314677.db2.gz BQSUERHOYBQRQI-CQDKDKBSSA-N 1 0 341.433 1.897 20 5 EDBDRO CC[NH+]1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3COC)C2)CC1 ZINC000266968654 443305962 /nfs/dbraw/zinc/30/59/62/443305962.db2.gz KNWPGBICJSIMLI-QGZVFWFLSA-N 1 0 348.447 1.957 20 5 EDBDRO CC[NH2+]CCNC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000416924173 319475803 /nfs/dbraw/zinc/47/58/03/319475803.db2.gz RMJAJQCRXSLGGA-UHFFFAOYSA-N 1 0 340.380 1.063 20 5 EDBDRO C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000419150190 319563005 /nfs/dbraw/zinc/56/30/05/319563005.db2.gz MAAKOWZNOJUKEI-SGMGOOAPSA-N 1 0 348.403 1.406 20 5 EDBDRO COc1ccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000272767000 443438213 /nfs/dbraw/zinc/43/82/13/443438213.db2.gz BJGCNKBMEWNQQB-GFCCVEGCSA-N 1 0 338.364 1.398 20 5 EDBDRO CC[N@@H+]1CCCC[C@@H]1CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000267527965 443486940 /nfs/dbraw/zinc/48/69/40/443486940.db2.gz OYAHCXAKOABPIT-GFCCVEGCSA-N 1 0 342.421 1.529 20 5 EDBDRO C[N@H+]1C[C@H]2CN(c3c(Br)cncc3[N+](=O)[O-])C[C@H]2C1 ZINC000278874420 443469432 /nfs/dbraw/zinc/46/94/32/443469432.db2.gz ZQBPIUIXSWRTAI-DTORHVGOSA-N 1 0 327.182 1.750 20 5 EDBDRO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000423408343 319772730 /nfs/dbraw/zinc/77/27/30/319772730.db2.gz ADFZCKIWVFTLES-MBNYWOFBSA-N 1 0 333.392 1.391 20 5 EDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423539294 319783125 /nfs/dbraw/zinc/78/31/25/319783125.db2.gz OSTSVLHOAAHHCK-LLVKDONJSA-N 1 0 325.390 1.507 20 5 EDBDRO O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423830303 319819415 /nfs/dbraw/zinc/81/94/15/319819415.db2.gz UHLLSYOBKOZZPG-LYRGGWFBSA-N 1 0 330.388 1.795 20 5 EDBDRO O=C(C[C@H]1CSCC[NH2+]1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423846017 319821971 /nfs/dbraw/zinc/82/19/71/319821971.db2.gz NHESOQDVIQJTKX-JTQLQIEISA-N 1 0 329.809 1.960 20 5 EDBDRO C[NH+](C)C1CN(c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)C1 ZINC000273206867 443563837 /nfs/dbraw/zinc/56/38/37/443563837.db2.gz GAGVHCSFEZIDPC-UHFFFAOYSA-N 1 0 349.778 1.544 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)cc1C ZINC000265210124 443570379 /nfs/dbraw/zinc/57/03/79/443570379.db2.gz CYXPDMDFUQSPAF-ZDUSSCGKSA-N 1 0 341.433 1.926 20 5 EDBDRO CCOc1ccc(NC(=O)CN2C[C@@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430928676 319935498 /nfs/dbraw/zinc/93/54/98/319935498.db2.gz UXCGUYLRLCGJTL-TXEJJXNPSA-N 1 0 336.392 1.614 20 5 EDBDRO COC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCOCC1 ZINC000283325070 443602369 /nfs/dbraw/zinc/60/23/69/443602369.db2.gz ZXFYQUVZWKTUTA-UHFFFAOYSA-N 1 0 326.324 1.936 20 5 EDBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000440071568 320061563 /nfs/dbraw/zinc/06/15/63/320061563.db2.gz BKJHJEHCAVXLNJ-LBPRGKRZSA-N 1 0 329.422 1.745 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000440358357 320073644 /nfs/dbraw/zinc/07/36/44/320073644.db2.gz NMTVMIGTTFPPTF-YPMHNXCESA-N 1 0 341.433 1.824 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000440748244 320078832 /nfs/dbraw/zinc/07/88/32/320078832.db2.gz OSYWYYGWRZWZOO-OAHLLOKOSA-N 1 0 339.417 1.586 20 5 EDBDRO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000444367455 320128114 /nfs/dbraw/zinc/12/81/14/320128114.db2.gz QYIDWKQUQIYJSQ-LLVKDONJSA-N 1 0 339.367 1.651 20 5 EDBDRO C[C@@H](C[NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447251419 320140232 /nfs/dbraw/zinc/14/02/32/320140232.db2.gz UMDUFSHOFIEHES-ZETCQYMHSA-N 1 0 341.311 1.487 20 5 EDBDRO COC[C@](C)(O)CC[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000449387956 320186855 /nfs/dbraw/zinc/18/68/55/320186855.db2.gz YRGLVKUUPCDNOR-OAHLLOKOSA-N 1 0 328.365 1.489 20 5 EDBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449442183 320190815 /nfs/dbraw/zinc/19/08/15/320190815.db2.gz KAJZNYPOGBVIDZ-YPMHNXCESA-N 1 0 329.422 1.443 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC3(CCC(O)CC3)CC2)c1 ZINC000451145663 320226083 /nfs/dbraw/zinc/22/60/83/320226083.db2.gz KYKYOYQBHDEVND-OAHLLOKOSA-N 1 0 338.408 1.169 20 5 EDBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000459636482 320349003 /nfs/dbraw/zinc/34/90/03/320349003.db2.gz QVXQVDUIANDEAR-BETUJISGSA-N 1 0 338.360 1.804 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)NCCOCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000471632018 320352733 /nfs/dbraw/zinc/35/27/33/320352733.db2.gz ALVNHCJCCLOGMW-ZDUSSCGKSA-N 1 0 338.408 1.842 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCN2CC=CCC2)c1C ZINC000280342055 443697816 /nfs/dbraw/zinc/69/78/16/443697816.db2.gz VUBJSBAILMUMGM-UHFFFAOYSA-N 1 0 339.417 1.752 20 5 EDBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccccc1 ZINC000298296770 443740131 /nfs/dbraw/zinc/74/01/31/443740131.db2.gz PSBKZDOSFBTSRY-CQSZACIVSA-N 1 0 329.360 1.804 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000287620223 443751693 /nfs/dbraw/zinc/75/16/93/443751693.db2.gz FFNLFBXMEPVKLY-INIZCTEOSA-N 1 0 344.371 1.443 20 5 EDBDRO CC[C@@H](CO)[N@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000298425868 443767026 /nfs/dbraw/zinc/76/70/26/443767026.db2.gz PWXDREFIVJNKPE-NSHDSACASA-N 1 0 325.365 1.635 20 5 EDBDRO O=c1[nH]c(N2CC[N@@H+]3CCCC[C@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC000280940485 443779778 /nfs/dbraw/zinc/77/97/78/443779778.db2.gz IKTCOMGKHXXSRX-LBPRGKRZSA-N 1 0 329.360 1.918 20 5 EDBDRO COc1cc(S(=O)(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000292720809 443826656 /nfs/dbraw/zinc/82/66/56/443826656.db2.gz AMSZTHUFTSRSAH-PHIMTYICSA-N 1 0 343.405 1.317 20 5 EDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000285070298 443844852 /nfs/dbraw/zinc/84/48/52/443844852.db2.gz CNVAKXKJGORSIU-KGLIPLIRSA-N 1 0 349.387 1.539 20 5 EDBDRO COC(=O)[C@H](C)C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000298759745 443861016 /nfs/dbraw/zinc/86/10/16/443861016.db2.gz ZLBCCHMDDBJASN-YPMHNXCESA-N 1 0 326.349 1.075 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299047902 443937720 /nfs/dbraw/zinc/93/77/20/443937720.db2.gz GIBWLFBMTWPSOB-NEPJUHHUSA-N 1 0 343.380 1.639 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000293061413 443915231 /nfs/dbraw/zinc/91/52/31/443915231.db2.gz BFYSHCMQJDVUJF-SNVBAGLBSA-N 1 0 336.392 1.464 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000298965839 443915586 /nfs/dbraw/zinc/91/55/86/443915586.db2.gz FPVFJBFCZYSLJG-KGLIPLIRSA-N 1 0 334.332 1.860 20 5 EDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000285429806 443980888 /nfs/dbraw/zinc/98/08/88/443980888.db2.gz ZTVNHHDHWVPBAF-CVEARBPZSA-N 1 0 348.403 1.206 20 5 EDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c1 ZINC000285450029 443987994 /nfs/dbraw/zinc/98/79/94/443987994.db2.gz IWYKYCGPMYNENC-ZDUSSCGKSA-N 1 0 333.310 1.948 20 5 EDBDRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](C)O1 ZINC000299346732 444024398 /nfs/dbraw/zinc/02/43/98/444024398.db2.gz VHPLOKAIUKHSNA-XQQFMLRXSA-N 1 0 336.392 1.637 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@H](O)CN1CCOCC1 ZINC000563011371 321087761 /nfs/dbraw/zinc/08/77/61/321087761.db2.gz JDLOTYXMWWCJCZ-AWEZNQCLSA-N 1 0 343.811 1.073 20 5 EDBDRO C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1ccc(F)cc1 ZINC000564853415 321151343 /nfs/dbraw/zinc/15/13/43/321151343.db2.gz CDTYSHPUSCITJB-BXUZGUMPSA-N 1 0 338.339 1.348 20 5 EDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000565479761 321188516 /nfs/dbraw/zinc/18/85/16/321188516.db2.gz MJZUTDRCYMKIQG-ZDUSSCGKSA-N 1 0 337.376 1.811 20 5 EDBDRO CNc1ccc(C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000565994299 321208916 /nfs/dbraw/zinc/20/89/16/321208916.db2.gz NSCRNJMGILWSNZ-TXEJJXNPSA-N 1 0 336.392 1.164 20 5 EDBDRO CC(C)(O)C(C)(C)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566122121 321218465 /nfs/dbraw/zinc/21/84/65/321218465.db2.gz XZTSAHRSBDIARL-LBPRGKRZSA-N 1 0 326.393 1.721 20 5 EDBDRO COc1cc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c([N+](=O)[O-])cc1O ZINC000570806588 321358646 /nfs/dbraw/zinc/35/86/46/321358646.db2.gz GNBVHVWVWPNWRT-IAQYHMDHSA-N 1 0 342.392 1.557 20 5 EDBDRO C[NH+](C)C[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCO1 ZINC000278322942 444140725 /nfs/dbraw/zinc/14/07/25/444140725.db2.gz HYVCBESOSDXOLC-VIFPVBQESA-N 1 0 334.298 1.775 20 5 EDBDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000289462567 444150758 /nfs/dbraw/zinc/15/07/58/444150758.db2.gz GQXMKLCFIWDFBU-GFCCVEGCSA-N 1 0 329.422 1.743 20 5 EDBDRO CC[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)[S@@]1=O ZINC000286017099 444177500 /nfs/dbraw/zinc/17/75/00/444177500.db2.gz PQNMCJBXYIFZDE-XPFUXLKRSA-N 1 0 326.418 1.860 20 5 EDBDRO COC(=O)c1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000301590584 444180890 /nfs/dbraw/zinc/18/08/90/444180890.db2.gz XILXUGXQHVKMNC-ZDUSSCGKSA-N 1 0 349.387 1.540 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC12CCOCC2 ZINC000575989419 321539181 /nfs/dbraw/zinc/53/91/81/321539181.db2.gz DNRGSRMZNDFOMX-LLVKDONJSA-N 1 0 337.351 1.561 20 5 EDBDRO Cc1c(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000290231736 444257029 /nfs/dbraw/zinc/25/70/29/444257029.db2.gz VXXPFPXUAQFNQN-UHFFFAOYSA-N 1 0 336.436 1.859 20 5 EDBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000296963694 444265581 /nfs/dbraw/zinc/26/55/81/444265581.db2.gz CTYLJGCCONJJCG-CYBMUJFWSA-N 1 0 332.364 1.223 20 5 EDBDRO C[C@H](O)[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000305660325 444271745 /nfs/dbraw/zinc/27/17/45/444271745.db2.gz RDJTWEGZXINLIV-ZENOOKHLSA-N 1 0 333.388 1.793 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000296459877 444231988 /nfs/dbraw/zinc/23/19/88/444231988.db2.gz JGBMLMRZVHMANE-LLVKDONJSA-N 1 0 328.394 1.138 20 5 EDBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[N@@H+]1C1CC1 ZINC000290732565 444316634 /nfs/dbraw/zinc/31/66/34/444316634.db2.gz GBZKWTYCWJNZAR-UWVGGRQHSA-N 1 0 340.405 1.279 20 5 EDBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000290792191 444323686 /nfs/dbraw/zinc/32/36/86/444323686.db2.gz XOXJWGGEAQJASN-SNVBAGLBSA-N 1 0 330.410 1.383 20 5 EDBDRO Cc1cc(C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc([N+](=O)[O-])c1 ZINC000577947061 321697493 /nfs/dbraw/zinc/69/74/93/321697493.db2.gz DIDSMAHSVGANNB-CVEARBPZSA-N 1 0 345.399 1.744 20 5 EDBDRO CC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])c(C)c(Br)c1=O ZINC000312716613 444294884 /nfs/dbraw/zinc/29/48/84/444294884.db2.gz HZPDCZKLFSWVPQ-VIFPVBQESA-N 1 0 348.197 1.140 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1C ZINC000323221418 444342186 /nfs/dbraw/zinc/34/21/86/444342186.db2.gz VPKHGRZWXOCGHT-GXTWGEPZSA-N 1 0 339.417 1.584 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@](C)(C(N)=O)C(C)C ZINC000297782671 444333881 /nfs/dbraw/zinc/33/38/81/444333881.db2.gz WHPHQEMAETXNFM-INIZCTEOSA-N 1 0 336.392 1.721 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000579665626 321957687 /nfs/dbraw/zinc/95/76/87/321957687.db2.gz BMVBTNGNKAOSMR-UHFFFAOYSA-N 1 0 337.420 1.909 20 5 EDBDRO C[C@H](CCC[NH3+])NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000580324933 322037663 /nfs/dbraw/zinc/03/76/63/322037663.db2.gz JNROTHIVYLEJFB-SECBINFHSA-N 1 0 342.783 1.222 20 5 EDBDRO CC(C)(C)NC(=O)CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000580947456 322115937 /nfs/dbraw/zinc/11/59/37/322115937.db2.gz SBAFVEBWSTYFJY-GFCCVEGCSA-N 1 0 339.392 1.229 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCC[C@H](O)C2)cc1 ZINC000581726573 322214224 /nfs/dbraw/zinc/21/42/24/322214224.db2.gz SXCQAGDXHCOYGL-OCCSQVGLSA-N 1 0 342.417 1.509 20 5 EDBDRO CC(C)[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C[C@H](C)O ZINC000340807799 444518464 /nfs/dbraw/zinc/51/84/64/444518464.db2.gz MWUCTDFBDXXNMK-JTQLQIEISA-N 1 0 339.348 1.353 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2C[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000342235319 444579812 /nfs/dbraw/zinc/57/98/12/444579812.db2.gz QJMYUFBAHQVKOZ-ZJUUUORDSA-N 1 0 330.287 1.890 20 5 EDBDRO CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CC(=O)N(C)C1=O ZINC000338326139 444634044 /nfs/dbraw/zinc/63/40/44/444634044.db2.gz KWQZCDVFEYANAB-ZDUSSCGKSA-N 1 0 335.360 1.443 20 5 EDBDRO CO[C@@H]1C[C@@H](CN(C)c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[N@H+](C)C1 ZINC000343869812 444637659 /nfs/dbraw/zinc/63/76/59/444637659.db2.gz CEAGBTFMAURSKK-NWDGAFQWSA-N 1 0 347.375 1.399 20 5 EDBDRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000343994779 444715937 /nfs/dbraw/zinc/71/59/37/444715937.db2.gz XDCKXVFLEXAJAS-GDBMZVCRSA-N 1 0 344.371 1.807 20 5 EDBDRO C[C@@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000341231665 444740958 /nfs/dbraw/zinc/74/09/58/444740958.db2.gz VOAHHSKMHDDLLV-LBPRGKRZSA-N 1 0 345.403 1.923 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000338593511 444762934 /nfs/dbraw/zinc/76/29/34/444762934.db2.gz TYMDDTLZYHDNPT-LBPRGKRZSA-N 1 0 334.376 1.489 20 5 EDBDRO C[C@H]([NH2+][C@@H]1CCC(=O)NC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000338597360 444766770 /nfs/dbraw/zinc/76/67/70/444766770.db2.gz LKOGWXRRFNPDTD-GXFFZTMASA-N 1 0 334.376 1.569 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@H]1C[C@H](OC)C[N@H+]1C ZINC000344500477 445015224 /nfs/dbraw/zinc/01/52/24/445015224.db2.gz SRMZVCBDMIBMNJ-OLZOCXBDSA-N 1 0 337.376 1.395 20 5 EDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCCCC1 ZINC000339214600 445092715 /nfs/dbraw/zinc/09/27/15/445092715.db2.gz DNHAQEMUHJDRMR-ZDUSSCGKSA-N 1 0 348.403 1.315 20 5 EDBDRO CN(C(=O)CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000342095366 445169371 /nfs/dbraw/zinc/16/93/71/445169371.db2.gz GJRBEGYPVHAJTH-RCBQFDQVSA-N 1 0 332.404 1.617 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342114785 445180124 /nfs/dbraw/zinc/18/01/24/445180124.db2.gz WSMQTCQVHFCIDL-QEJZJMRPSA-N 1 0 332.404 1.901 20 5 EDBDRO C[C@@H]1[C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCC[N@@H+]1C ZINC000343418184 445218782 /nfs/dbraw/zinc/21/87/82/445218782.db2.gz BJEUFJLACZFMCT-DOMZBBRYSA-N 1 0 343.387 1.993 20 5 EDBDRO C[NH+](C)CCn1ccc(NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000347237566 445234697 /nfs/dbraw/zinc/23/46/97/445234697.db2.gz RMJCZVYHUOWTRO-UHFFFAOYSA-N 1 0 336.327 2.136 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000343504414 445235188 /nfs/dbraw/zinc/23/51/88/445235188.db2.gz IFEMPFZRIFTNQP-ABAIWWIYSA-N 1 0 349.387 1.984 20 5 EDBDRO COc1cc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc([N+](=O)[O-])c1OC ZINC000343515409 445236978 /nfs/dbraw/zinc/23/69/78/445236978.db2.gz KXWBCJXGKJMZAQ-KRWDZBQOSA-N 1 0 349.387 1.828 20 5 EDBDRO C[C@]1(O)CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000348379347 445271028 /nfs/dbraw/zinc/27/10/28/445271028.db2.gz UPXLVESEJWNYBA-WBVHZDCISA-N 1 0 333.388 1.937 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000348149950 445289278 /nfs/dbraw/zinc/28/92/78/445289278.db2.gz XGCGHNMRDSRESC-NEPJUHHUSA-N 1 0 337.376 1.947 20 5 EDBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351737098 445299160 /nfs/dbraw/zinc/29/91/60/445299160.db2.gz NVPDOIDMBLTDBF-NSHDSACASA-N 1 0 325.344 1.101 20 5 EDBDRO Cc1ccc(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2=O)cc1[N+](=O)[O-] ZINC000359808280 445439167 /nfs/dbraw/zinc/43/91/67/445439167.db2.gz SAIKATQYDKNWJP-CQSZACIVSA-N 1 0 343.387 1.922 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000359832668 445451536 /nfs/dbraw/zinc/45/15/36/445451536.db2.gz LVMAUSOTCYFMPQ-MRXNPFEDSA-N 1 0 337.376 1.315 20 5 EDBDRO CC[N@H+](CCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000357764798 445581447 /nfs/dbraw/zinc/58/14/47/445581447.db2.gz RFHUKEYHDVTVAF-UHFFFAOYSA-N 1 0 348.403 1.983 20 5 EDBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000349250143 445546097 /nfs/dbraw/zinc/54/60/97/445546097.db2.gz FPFDQZHGTLITOG-ZDUSSCGKSA-N 1 0 338.408 1.506 20 5 EDBDRO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCC[C@H]1O ZINC000352696667 445549075 /nfs/dbraw/zinc/54/90/75/445549075.db2.gz JUUSPOBQUSIYES-CMPLNLGQSA-N 1 0 337.332 1.107 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)n1 ZINC000360212318 445632114 /nfs/dbraw/zinc/63/21/14/445632114.db2.gz IYHOUUACXRAPRU-ZDUSSCGKSA-N 1 0 349.366 1.983 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCN(CC[NH+](C)C)CC1 ZINC000360269377 445667805 /nfs/dbraw/zinc/66/78/05/445667805.db2.gz DKGRCHWIOORPOW-UHFFFAOYSA-N 1 0 334.420 1.613 20 5 EDBDRO Nc1c(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000363117515 445685205 /nfs/dbraw/zinc/68/52/05/445685205.db2.gz HYZWKVDSRWPRHN-BPNCWPANSA-N 1 0 348.378 1.872 20 5 EDBDRO Cc1c(NC(=O)CC[N@H+]2CCNC(=O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000363149653 445697231 /nfs/dbraw/zinc/69/72/31/445697231.db2.gz DLTIXLCBTLJWFO-LLVKDONJSA-N 1 0 334.376 1.442 20 5 EDBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)C1 ZINC000363218032 445726921 /nfs/dbraw/zinc/72/69/21/445726921.db2.gz DYXNDJWZBRBVFE-AWEZNQCLSA-N 1 0 347.419 1.029 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000353733614 445729867 /nfs/dbraw/zinc/72/98/67/445729867.db2.gz ANDUNLKUHITKQX-BXUZGUMPSA-N 1 0 338.360 1.804 20 5 EDBDRO CN1CCC([NH+]2CCC(CCNc3ncc([N+](=O)[O-])cn3)CC2)CC1 ZINC000363885807 445881653 /nfs/dbraw/zinc/88/16/53/445881653.db2.gz RIZIJDSWKGIUSS-UHFFFAOYSA-N 1 0 348.451 1.993 20 5 EDBDRO CCC[C@H]1C[NH2+]CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000359047375 445909152 /nfs/dbraw/zinc/90/91/52/445909152.db2.gz TZBUUTRNGNHUQF-ZDUSSCGKSA-N 1 0 336.392 1.616 20 5 EDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000359193183 446020129 /nfs/dbraw/zinc/02/01/29/446020129.db2.gz IIYALAOYUFZRRN-OAHLLOKOSA-N 1 0 348.403 1.315 20 5 EDBDRO [NH3+]CCCN(CC1CCCC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000583144158 326012272 /nfs/dbraw/zinc/01/22/72/326012272.db2.gz SCMJESRKZZFJNG-UHFFFAOYSA-N 1 0 342.421 1.520 20 5 EDBDRO CC(C)(C)C[C@@H](O)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583203895 326026235 /nfs/dbraw/zinc/02/62/35/326026235.db2.gz LLDDIVKCYKSWLI-CYBMUJFWSA-N 1 0 344.433 1.755 20 5 EDBDRO CN(C(=O)CN1CC[C@H]2CC[N@H+](C)C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000373143816 446056206 /nfs/dbraw/zinc/05/62/06/446056206.db2.gz YDXIODFGMSFKOR-CZUORRHYSA-N 1 0 332.404 1.584 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCc2nccn2C1 ZINC000365262665 446111070 /nfs/dbraw/zinc/11/10/70/446111070.db2.gz WGZVLKJDURVMPD-NSHDSACASA-N 1 0 330.344 1.679 20 5 EDBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000366579388 446266597 /nfs/dbraw/zinc/26/65/97/446266597.db2.gz AFDYJKYWLYNTQB-WFASDCNBSA-N 1 0 341.371 1.605 20 5 EDBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@H](N2CCOCC2)C1 ZINC000359522113 446274645 /nfs/dbraw/zinc/27/46/45/446274645.db2.gz BAWQHTCWLOQOIG-CQSZACIVSA-N 1 0 345.355 1.888 20 5 EDBDRO Cc1cc(NC[C@@H]2C[C@H](F)CN2Cc2ccnn2C)ncc1[N+](=O)[O-] ZINC000370553281 446329839 /nfs/dbraw/zinc/32/98/39/446329839.db2.gz CUXWYROLGAPDFS-JSGCOSHPSA-N 1 0 348.382 2.056 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CCC[C@H]32)c1 ZINC000376146112 446354349 /nfs/dbraw/zinc/35/43/49/446354349.db2.gz WDYCHGKIGZELAS-SWLSCSKDSA-N 1 0 339.417 1.748 20 5 EDBDRO COC(=O)c1cnc(N2CCC([C@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000420261567 446438764 /nfs/dbraw/zinc/43/87/64/446438764.db2.gz PTNGSGCACMEIKV-LBPRGKRZSA-N 1 0 334.376 1.602 20 5 EDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)nc1 ZINC000420273725 446443834 /nfs/dbraw/zinc/44/38/34/446443834.db2.gz FEXVKJOPBWITMU-SWLSCSKDSA-N 1 0 331.351 2.329 20 5 EDBDRO CC1(C)C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000417978273 446405629 /nfs/dbraw/zinc/40/56/29/446405629.db2.gz DACPHUIFIYPAHO-NSHDSACASA-N 1 0 328.390 1.526 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC([C@H]2CCCOC2)CC1 ZINC000374848248 446417358 /nfs/dbraw/zinc/41/73/58/446417358.db2.gz VHJBFOYYLLTBIO-HNNXBMFYSA-N 1 0 335.404 1.895 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)c1[N+](=O)[O-] ZINC000366940073 446418589 /nfs/dbraw/zinc/41/85/89/446418589.db2.gz CYJSEGMHNASBRZ-CLLJXQQHSA-N 1 0 339.417 1.854 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423227175 446458272 /nfs/dbraw/zinc/45/82/72/446458272.db2.gz USHXADMKZVAFJF-CYBMUJFWSA-N 1 0 343.387 1.757 20 5 EDBDRO Nc1nccc([C@@H]2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000367214021 446523030 /nfs/dbraw/zinc/52/30/30/446523030.db2.gz QWZOGAZMUIYSFM-CJNGLKHVSA-N 1 0 343.387 1.880 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000375042314 446536817 /nfs/dbraw/zinc/53/68/17/446536817.db2.gz SBFHQVXFCAQIAP-DOMZBBRYSA-N 1 0 346.387 1.394 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420436194 446611791 /nfs/dbraw/zinc/61/17/91/446611791.db2.gz NZYVGVKILRKLJH-SMDDNHRTSA-N 1 0 327.406 1.055 20 5 EDBDRO [NH3+]C[C@@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000420437338 446612110 /nfs/dbraw/zinc/61/21/10/446612110.db2.gz PUTCSKSOPVOMHX-OAHLLOKOSA-N 1 0 341.433 1.574 20 5 EDBDRO C[C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C[NH3+] ZINC000420395186 446570487 /nfs/dbraw/zinc/57/04/87/446570487.db2.gz CZUYALMVMKKVBD-JSGCOSHPSA-N 1 0 332.404 1.401 20 5 EDBDRO COc1ccc(NC(=O)CCN2C[C@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000420398166 446571971 /nfs/dbraw/zinc/57/19/71/446571971.db2.gz NBGKEUDBZAZYAH-NWDGAFQWSA-N 1 0 336.392 1.614 20 5 EDBDRO CCOc1ccc2c(c1)CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000433446823 446573690 /nfs/dbraw/zinc/57/36/90/446573690.db2.gz IVIKPZCKQMEBRV-MRXNPFEDSA-N 1 0 346.387 1.609 20 5 EDBDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1c([N+](=O)[O-])ncn1C ZINC000433774354 446597398 /nfs/dbraw/zinc/59/73/98/446597398.db2.gz KZUFWZVLANPZNU-KBPBESRZSA-N 1 0 330.392 1.853 20 5 EDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418568113 446597783 /nfs/dbraw/zinc/59/77/83/446597783.db2.gz NFEGUGPIKSCGOM-BXUZGUMPSA-N 1 0 334.376 1.639 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418570956 446599099 /nfs/dbraw/zinc/59/90/99/446599099.db2.gz JFVHQNZAASSITG-BBRMVZONSA-N 1 0 347.419 1.424 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C1(C[NH3+])CCC1 ZINC000420444092 446621003 /nfs/dbraw/zinc/62/10/03/446621003.db2.gz MAWHMZDIKBHHRP-UHFFFAOYSA-N 1 0 327.406 1.714 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000420454566 446631698 /nfs/dbraw/zinc/63/16/98/446631698.db2.gz MQIZHIARGGRNII-OCCSQVGLSA-N 1 0 341.433 1.526 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000375187413 446631909 /nfs/dbraw/zinc/63/19/09/446631909.db2.gz NKHRAKNCYHYOGA-LBPRGKRZSA-N 1 0 339.417 1.890 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)n1 ZINC000423667249 446633501 /nfs/dbraw/zinc/63/35/01/446633501.db2.gz JCKKKJMFPZEANC-ZDUSSCGKSA-N 1 0 329.360 1.428 20 5 EDBDRO O=C(NC[C@@H]1C[NH2+]CCO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418775644 446694177 /nfs/dbraw/zinc/69/41/77/446694177.db2.gz WLLGIZMUZTWEGH-HNNXBMFYSA-N 1 0 334.376 1.257 20 5 EDBDRO O=C(N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000423824418 446713779 /nfs/dbraw/zinc/71/37/79/446713779.db2.gz JMTPIFLUWXIUFP-MLGOLLRUSA-N 1 0 333.392 1.345 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000420738211 446781733 /nfs/dbraw/zinc/78/17/33/446781733.db2.gz NFULPZQBYYRHOD-ZDUSSCGKSA-N 1 0 341.433 1.926 20 5 EDBDRO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1[N+](=O)[O-] ZINC000454146754 446791122 /nfs/dbraw/zinc/79/11/22/446791122.db2.gz MKODHPLKZZOGIE-CQSZACIVSA-N 1 0 336.392 1.872 20 5 EDBDRO Cc1nnc([C@@H]2CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000412027008 446792208 /nfs/dbraw/zinc/79/22/08/446792208.db2.gz LBNBKSALWULPKR-TZMCWYRMSA-N 1 0 347.375 1.251 20 5 EDBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000424001030 446816474 /nfs/dbraw/zinc/81/64/74/446816474.db2.gz MLLSELXKHZNPRQ-YJBOKZPZSA-N 1 0 347.415 1.882 20 5 EDBDRO [NH3+]C1(CNC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000419044304 446882668 /nfs/dbraw/zinc/88/26/68/446882668.db2.gz SZJYVRIZNNQVCO-UHFFFAOYSA-N 1 0 348.403 1.031 20 5 EDBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000368720438 447065290 /nfs/dbraw/zinc/06/52/90/447065290.db2.gz YJOFQXHQWBUGHL-ZDUSSCGKSA-N 1 0 329.360 1.652 20 5 EDBDRO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000444139220 447078909 /nfs/dbraw/zinc/07/89/09/447078909.db2.gz ILPGNQAXNHRJMS-GUYCJALGSA-N 1 0 330.388 1.243 20 5 EDBDRO CNc1nc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000455689743 447209803 /nfs/dbraw/zinc/20/98/03/447209803.db2.gz AKUBVBMTCQWPFD-NEPJUHHUSA-N 1 0 333.392 1.730 20 5 EDBDRO CCNC(=O)[C@H]1Cc2ccccc2CN1CCn1ccc([N+](=O)[O-])n1 ZINC000425535815 447215591 /nfs/dbraw/zinc/21/55/91/447215591.db2.gz HPXXXVOIXWUIAD-OAHLLOKOSA-N 1 0 343.387 1.354 20 5 EDBDRO COc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000368973248 447236647 /nfs/dbraw/zinc/23/66/47/447236647.db2.gz JEIFWZFEIBMHNP-GHJWDPDVSA-N 1 0 349.387 1.568 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000369057582 447293949 /nfs/dbraw/zinc/29/39/49/447293949.db2.gz VXKDJOJDIQKGMN-SECBINFHSA-N 1 0 333.797 1.669 20 5 EDBDRO CNc1nc(C(=O)Nc2cc(C[NH+](C)C)ccn2)ccc1[N+](=O)[O-] ZINC000455936035 447262201 /nfs/dbraw/zinc/26/22/01/447262201.db2.gz XHXVTVHYANXWRV-UHFFFAOYSA-N 1 0 330.348 1.740 20 5 EDBDRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000447584775 447278678 /nfs/dbraw/zinc/27/86/78/447278678.db2.gz HGYKLODSOGPPMO-RYPNDVFKSA-N 1 0 347.419 1.874 20 5 EDBDRO CC(C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000380718225 447458575 /nfs/dbraw/zinc/45/85/75/447458575.db2.gz QJPDZNDTPFJNMR-JTQLQIEISA-N 1 0 348.197 1.220 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000415510420 447487837 /nfs/dbraw/zinc/48/78/37/447487837.db2.gz YWVGJFMXIOKKLH-RYUDHWBXSA-N 1 0 338.364 1.573 20 5 EDBDRO O=C1CC[C@H](C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCN1 ZINC000450561602 447526298 /nfs/dbraw/zinc/52/62/98/447526298.db2.gz GBOOJXHRAKZGNK-STQMWFEESA-N 1 0 333.392 1.392 20 5 EDBDRO COC(=O)COc1ccc(CN2CCC3(CC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000422561913 447643095 /nfs/dbraw/zinc/64/30/95/447643095.db2.gz OFJRNKOPZOVPQW-UHFFFAOYSA-N 1 0 349.387 1.475 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420093701 447596382 /nfs/dbraw/zinc/59/63/82/447596382.db2.gz GWOZCWLQJHDEGB-QGZVFWFLSA-N 1 0 348.403 1.059 20 5 EDBDRO [NH3+]CCCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000420227847 447678562 /nfs/dbraw/zinc/67/85/62/447678562.db2.gz DIFRTCLEKLRRLB-UHFFFAOYSA-N 1 0 342.421 1.530 20 5 EDBDRO CC1(C)CCC[NH2+][C@H]1CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000420236458 447681125 /nfs/dbraw/zinc/68/11/25/447681125.db2.gz FALXKQHNKHLLGB-ZDUSSCGKSA-N 1 0 342.421 1.432 20 5 EDBDRO O=C(c1ccccc1)c1ccc(NC[C@H]2C[NH2+]C[C@H]2O)c([N+](=O)[O-])c1 ZINC000420241391 447683697 /nfs/dbraw/zinc/68/36/97/447683697.db2.gz AZLJOWHWYFMBNU-RHSMWYFYSA-N 1 0 341.367 1.818 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000429127939 447728743 /nfs/dbraw/zinc/72/87/43/447728743.db2.gz LPQVYBHCWRTBPX-SLEUVZQESA-N 1 0 348.403 1.299 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000422771958 447745985 /nfs/dbraw/zinc/74/59/85/447745985.db2.gz WMTJFCNQPWUGTL-RYUDHWBXSA-N 1 0 349.387 1.889 20 5 EDBDRO CN1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000576012030 447951296 /nfs/dbraw/zinc/95/12/96/447951296.db2.gz OTJAXASKCWRIDP-ZDUSSCGKSA-N 1 0 349.435 1.999 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CO)CC2CCCCC2)c1 ZINC000571446372 448156620 /nfs/dbraw/zinc/15/66/20/448156620.db2.gz SDVGUYZMEKWBOU-ZFWWWQNUSA-N 1 0 326.397 1.073 20 5 EDBDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000531888582 448167399 /nfs/dbraw/zinc/16/73/99/448167399.db2.gz ABOXFDHBGFRRLH-HNNXBMFYSA-N 1 0 347.419 1.230 20 5 EDBDRO CNc1nccc(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000561156851 448233402 /nfs/dbraw/zinc/23/34/02/448233402.db2.gz VYRYEEANHDHHJT-ZDUSSCGKSA-N 1 0 349.435 2.416 20 5 EDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000591054010 448246453 /nfs/dbraw/zinc/24/64/53/448246453.db2.gz XNOKFZYBJWAHJP-BHYGNILZSA-N 1 0 347.415 1.925 20 5 EDBDRO O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000591054324 448245983 /nfs/dbraw/zinc/24/59/83/448245983.db2.gz WMLITAURTRDXDE-OFQRWUPVSA-N 1 0 345.399 1.577 20 5 EDBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492682540 448255475 /nfs/dbraw/zinc/25/54/75/448255475.db2.gz SZBDZGBIQZWSSZ-ZPIQOJFGSA-N 1 0 346.431 1.750 20 5 EDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000591294823 448310517 /nfs/dbraw/zinc/31/05/17/448310517.db2.gz GJHOISLSUINAFO-STQMWFEESA-N 1 0 333.392 1.655 20 5 EDBDRO C[C@@H]1CCCC[C@H]1OCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000572082810 448278803 /nfs/dbraw/zinc/27/88/03/448278803.db2.gz GTADXMDPUOFENE-BPLDGKMQSA-N 1 0 326.397 1.337 20 5 EDBDRO CC[C@H]1CN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@@H]1[NH3+] ZINC000591357164 448340999 /nfs/dbraw/zinc/34/09/99/448340999.db2.gz BYIFESTVNMDRTR-JQWIXIFHSA-N 1 0 346.391 1.740 20 5 EDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000577714310 448365956 /nfs/dbraw/zinc/36/59/56/448365956.db2.gz IVQIZIHGKPHQNP-IVZWLZJFSA-N 1 0 345.446 1.623 20 5 EDBDRO C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000516290744 448409105 /nfs/dbraw/zinc/40/91/05/448409105.db2.gz UTWKUFGHTQAKHI-MFKMUULPSA-N 1 0 328.394 1.176 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCn2cncc2C1 ZINC000533547748 448414021 /nfs/dbraw/zinc/41/40/21/448414021.db2.gz PCEOOYNEDSNFBX-LBPRGKRZSA-N 1 0 330.344 1.549 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)c1 ZINC000577948639 448422891 /nfs/dbraw/zinc/42/28/91/448422891.db2.gz QNOKELXJZSKOHI-GVDBMIGSSA-N 1 0 346.387 1.662 20 5 EDBDRO COc1ccc(CC(=O)N(C2CC2)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000591681009 448449643 /nfs/dbraw/zinc/44/96/43/448449643.db2.gz MCADTGHBBXRFGI-UHFFFAOYSA-N 1 0 333.388 1.889 20 5 EDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000591686262 448451003 /nfs/dbraw/zinc/45/10/03/448451003.db2.gz ZPMPDHTVHKCOCI-IUCAKERBSA-N 1 0 346.156 1.787 20 5 EDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])C1 ZINC000583762410 448461846 /nfs/dbraw/zinc/46/18/46/448461846.db2.gz UHRPUWTYVOOQNS-GFCCVEGCSA-N 1 0 335.408 1.835 20 5 EDBDRO CN(C)[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000516843356 448479534 /nfs/dbraw/zinc/47/95/34/448479534.db2.gz UMOXSOMVHRAZSZ-OLZOCXBDSA-N 1 0 339.421 1.106 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000516974400 448514883 /nfs/dbraw/zinc/51/48/83/448514883.db2.gz CMDBTGDBTVNGDB-GFCCVEGCSA-N 1 0 343.405 1.117 20 5 EDBDRO CCOc1cc(N2CN(CC[NH+](C)C)C(=O)[C@H]2C)ccc1[N+](=O)[O-] ZINC000591986957 448612409 /nfs/dbraw/zinc/61/24/09/448612409.db2.gz ZVLAATYUVSIMEH-GFCCVEGCSA-N 1 0 336.392 1.550 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000592006706 448622076 /nfs/dbraw/zinc/62/20/76/448622076.db2.gz UNSJCAKRDWBURV-ZDUSSCGKSA-N 1 0 344.375 1.211 20 5 EDBDRO COCC[NH2+]C1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000584656320 448590768 /nfs/dbraw/zinc/59/07/68/448590768.db2.gz SHKPZTKJFLVAHX-UHFFFAOYSA-N 1 0 327.406 1.805 20 5 EDBDRO CNc1nccc(C(=O)Nc2cccc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000567247438 448649684 /nfs/dbraw/zinc/64/96/84/448649684.db2.gz GVZBOOFTXJVJPD-UHFFFAOYSA-N 1 0 329.360 2.345 20 5 EDBDRO C[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)Cn1cccn1 ZINC000573594704 448668077 /nfs/dbraw/zinc/66/80/77/448668077.db2.gz FTNJZKYQNSXYRI-UKRRQHHQSA-N 1 0 334.376 1.457 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC[C@@H]2CCc3ccccc3N2)c1 ZINC000573597519 448668208 /nfs/dbraw/zinc/66/82/08/448668208.db2.gz UEUSUWPULQIDEV-GOEBONIOSA-N 1 0 345.403 1.559 20 5 EDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000592252011 448762864 /nfs/dbraw/zinc/76/28/64/448762864.db2.gz OXRPTUCBZLGYTG-NSHDSACASA-N 1 0 335.364 1.179 20 5 EDBDRO O=C(C[C@@H]1CCC[NH2+]C1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000518999575 448732164 /nfs/dbraw/zinc/73/21/64/448732164.db2.gz GOMQRPGXQAWRBD-NSHDSACASA-N 1 0 329.360 2.313 20 5 EDBDRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000592196154 448734383 /nfs/dbraw/zinc/73/43/83/448734383.db2.gz AOGAUSOSTFCPMX-GXTWGEPZSA-N 1 0 338.360 1.220 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592357325 448804112 /nfs/dbraw/zinc/80/41/12/448804112.db2.gz WQHGDKWAFXPECT-SKDRFNHKSA-N 1 0 331.332 1.893 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC(C)([NH3+])CC2)c1 ZINC000592379212 448812682 /nfs/dbraw/zinc/81/26/82/448812682.db2.gz KIKHMJCEXWWTCQ-UHFFFAOYSA-N 1 0 327.406 1.714 20 5 EDBDRO CCCN(C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592300760 448779398 /nfs/dbraw/zinc/77/93/98/448779398.db2.gz ZUWMLOVQDJBVGZ-CQSZACIVSA-N 1 0 348.403 1.784 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000592341945 448798653 /nfs/dbraw/zinc/79/86/53/448798653.db2.gz BLLZZMKMTLYRKP-HZPDHXFCSA-N 1 0 348.403 1.657 20 5 EDBDRO CCc1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CC2)cc1[N+](=O)[O-] ZINC000592383942 448816649 /nfs/dbraw/zinc/81/66/49/448816649.db2.gz WQWDTVYGGNTDTA-UHFFFAOYSA-N 1 0 341.433 1.872 20 5 EDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000586986156 448833632 /nfs/dbraw/zinc/83/36/32/448833632.db2.gz JRQCTJUFDURMMK-NSHDSACASA-N 1 0 349.416 1.901 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](CNc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1 ZINC000587528667 448838228 /nfs/dbraw/zinc/83/82/28/448838228.db2.gz BXJRUQDTUBEQIY-GFCCVEGCSA-N 1 0 347.419 1.927 20 5 EDBDRO CN(CC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000592569049 448905318 /nfs/dbraw/zinc/90/53/18/448905318.db2.gz XJRYSVZKNHHSBR-ZDUSSCGKSA-N 1 0 332.404 1.822 20 5 EDBDRO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)NCC[NH+](C)C ZINC000574651670 448925814 /nfs/dbraw/zinc/92/58/14/448925814.db2.gz SPUZBHKRFGXFAV-JTQLQIEISA-N 1 0 348.359 1.137 20 5 EDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588864069 448942766 /nfs/dbraw/zinc/94/27/66/448942766.db2.gz ZYSUEAJYXOVWFL-HOTGVXAUSA-N 1 0 333.388 1.195 20 5 EDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000521640620 449005559 /nfs/dbraw/zinc/00/55/59/449005559.db2.gz ZFGKFEGWQSWYHW-ZJUUUORDSA-N 1 0 326.784 1.998 20 5 EDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000522383614 449079466 /nfs/dbraw/zinc/07/94/66/449079466.db2.gz GZWRJKBVXKWMEB-LLVKDONJSA-N 1 0 335.360 1.737 20 5 EDBDRO COC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCOCC1 ZINC000595616232 449081870 /nfs/dbraw/zinc/08/18/70/449081870.db2.gz RNRXIRKRFAKITC-CQSZACIVSA-N 1 0 337.376 1.225 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000575156670 449051158 /nfs/dbraw/zinc/05/11/58/449051158.db2.gz KZJQLYQZRAADFJ-CYBMUJFWSA-N 1 0 336.392 1.615 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1C ZINC000589930112 449084752 /nfs/dbraw/zinc/08/47/52/449084752.db2.gz SQQWYPVKRRKAPX-JSGCOSHPSA-N 1 0 339.417 1.536 20 5 EDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000590335584 449133556 /nfs/dbraw/zinc/13/35/56/449133556.db2.gz PQJFWAABNZKRKO-UHFFFAOYSA-N 1 0 333.344 1.144 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593099495 449133989 /nfs/dbraw/zinc/13/39/89/449133989.db2.gz BEKCDGFORDKKMX-XCMOZONUSA-N 1 0 337.401 1.437 20 5 EDBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000590053956 449102228 /nfs/dbraw/zinc/10/22/28/449102228.db2.gz ZEWYDPBYESMYLV-QGZVFWFLSA-N 1 0 333.388 1.894 20 5 EDBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000593188774 449163761 /nfs/dbraw/zinc/16/37/61/449163761.db2.gz POHLZDGQQSNQBM-BFHYXJOUSA-N 1 0 334.420 1.971 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000595785584 449164734 /nfs/dbraw/zinc/16/47/34/449164734.db2.gz XNNMSWUDQKBMKI-KBPBESRZSA-N 1 0 335.360 1.435 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000590444165 449165981 /nfs/dbraw/zinc/16/59/81/449165981.db2.gz LSLCEARHWJYNOX-XPTSAGLGSA-N 1 0 325.315 1.578 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)[C@H]2C1 ZINC000590446411 449166900 /nfs/dbraw/zinc/16/69/00/449166900.db2.gz VBSVAMOMWBBQDI-WBMJQRKESA-N 1 0 341.371 1.557 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCC2CC[NH2+]CC2)c1 ZINC000593731703 449167134 /nfs/dbraw/zinc/16/71/34/449167134.db2.gz BOXCFNYVAMDYIG-UHFFFAOYSA-N 1 0 341.433 1.880 20 5 EDBDRO O=C(CC[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595735612 449137898 /nfs/dbraw/zinc/13/78/98/449137898.db2.gz BLIOWPHBVPYCKW-SWLSCSKDSA-N 1 0 346.387 1.524 20 5 EDBDRO COc1cc(C[NH2+]CC[C@]2(O)CCCOC2)c([N+](=O)[O-])cc1O ZINC000593690962 449149564 /nfs/dbraw/zinc/14/95/64/449149564.db2.gz DGQAPNMALJMWEE-OAHLLOKOSA-N 1 0 326.349 1.330 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000590402805 449149973 /nfs/dbraw/zinc/14/99/73/449149973.db2.gz HHOHWWRFKGVNCE-IAQYHMDHSA-N 1 0 349.387 1.936 20 5 EDBDRO CN(CCC[NH+](C)C)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000597990199 449174594 /nfs/dbraw/zinc/17/45/94/449174594.db2.gz QWIKDTJOEORVKF-UHFFFAOYSA-N 1 0 347.419 1.689 20 5 EDBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000604303614 449202221 /nfs/dbraw/zinc/20/22/21/449202221.db2.gz UMMHAROAPGGLSB-XQQFMLRXSA-N 1 0 347.419 1.930 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000590588779 449203485 /nfs/dbraw/zinc/20/34/85/449203485.db2.gz JYPYHZXFUNKZAR-FZMZJTMJSA-N 1 0 327.406 1.616 20 5 EDBDRO COC(=O)[C@H]1C[C@@H]([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000595848305 449205218 /nfs/dbraw/zinc/20/52/18/449205218.db2.gz DKLSZSOVBGXNIH-KWCYVHTRSA-N 1 0 338.360 1.218 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCn1cncn1 ZINC000600132619 449208227 /nfs/dbraw/zinc/20/82/27/449208227.db2.gz LUDDINHPHUPBAO-GFCCVEGCSA-N 1 0 332.364 1.583 20 5 EDBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000590555544 449189104 /nfs/dbraw/zinc/18/91/04/449189104.db2.gz PXUAARREIIEGQB-GFCCVEGCSA-N 1 0 348.403 1.502 20 5 EDBDRO O=C1[C@H]([N@@H+]2CC[C@H]3COC[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595829855 449193661 /nfs/dbraw/zinc/19/36/61/449193661.db2.gz IVULKKUWHVCMLJ-WOSRLPQWSA-N 1 0 331.372 1.668 20 5 EDBDRO CNC(=O)c1ccc(N2CCC3(C2)CC[NH+](C)CC3)c([N+](=O)[O-])c1 ZINC000590567668 449195092 /nfs/dbraw/zinc/19/50/92/449195092.db2.gz FWZHQAZEIXMPFB-UHFFFAOYSA-N 1 0 332.404 1.877 20 5 EDBDRO CC(C)[NH+]1CCN(C2CCN(c3cccnc3[N+](=O)[O-])CC2)CC1 ZINC000611166098 449195491 /nfs/dbraw/zinc/19/54/91/449195491.db2.gz BHPIIOQUOSCPTJ-UHFFFAOYSA-N 1 0 333.436 1.985 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@@H](C[NH3+])C(F)(F)F ZINC000595908707 449246759 /nfs/dbraw/zinc/24/67/59/449246759.db2.gz PHICMAFPDBVVHQ-NSHDSACASA-N 1 0 334.298 1.663 20 5 EDBDRO COC(=O)c1cc(NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)cc([N+](=O)[O-])c1 ZINC000593902693 449273208 /nfs/dbraw/zinc/27/32/08/449273208.db2.gz URAWJAHXEGXKJN-UONOGXRCSA-N 1 0 333.344 1.851 20 5 EDBDRO C[NH+](C)CC1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000602036885 449291382 /nfs/dbraw/zinc/29/13/82/449291382.db2.gz NSCJJJOLVSXXAX-UHFFFAOYSA-N 1 0 332.404 1.585 20 5 EDBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596058082 449340183 /nfs/dbraw/zinc/34/01/83/449340183.db2.gz CHNWAPYRURFISM-CYBMUJFWSA-N 1 0 336.392 1.462 20 5 EDBDRO CC1CC[NH+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593531650 449329320 /nfs/dbraw/zinc/32/93/20/449329320.db2.gz SAUPSNDEQOWILU-UHFFFAOYSA-N 1 0 328.394 1.000 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000598452228 449401546 /nfs/dbraw/zinc/40/15/46/449401546.db2.gz HQBQYBLLSGKIPJ-INIZCTEOSA-N 1 0 333.388 1.195 20 5 EDBDRO COC(=O)c1c(Cl)c(NC[C@@]2(O)CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000596196115 449408273 /nfs/dbraw/zinc/40/82/73/449408273.db2.gz IUIHOSNMLZESNN-AWEZNQCLSA-N 1 0 343.767 1.513 20 5 EDBDRO CN(C)CC[N@H+](C)CCCN(C)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596235034 449430736 /nfs/dbraw/zinc/43/07/36/449430736.db2.gz QTURFRYMXPMPOA-UHFFFAOYSA-N 1 0 329.832 1.963 20 5 EDBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611699354 449387068 /nfs/dbraw/zinc/38/70/68/449387068.db2.gz APPHAPSUCFXBGQ-CQSZACIVSA-N 1 0 345.403 2.307 20 5 EDBDRO CNc1nccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600469733 449395876 /nfs/dbraw/zinc/39/58/76/449395876.db2.gz JRSFTOORFDALQI-LBPRGKRZSA-N 1 0 333.392 1.778 20 5 EDBDRO C[NH+](C)CCC[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000598547042 449459048 /nfs/dbraw/zinc/45/90/48/449459048.db2.gz WEZSQULZDAJWIG-INIZCTEOSA-N 1 0 335.404 1.707 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000596337382 449476941 /nfs/dbraw/zinc/47/69/41/449476941.db2.gz WAPUDXSXFAJACL-JTQLQIEISA-N 1 0 342.421 1.527 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000600669635 449483335 /nfs/dbraw/zinc/48/33/35/449483335.db2.gz RAZHZVVGVRRXPK-NHAGDIPZSA-N 1 0 339.417 1.338 20 5 EDBDRO CC[NH+](CC)C[C@H]1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000598602024 449485627 /nfs/dbraw/zinc/48/56/27/449485627.db2.gz ZFFVRGNEERMSJC-GFCCVEGCSA-N 1 0 336.392 1.945 20 5 EDBDRO O=C(NCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)Nc1cccc([N+](=O)[O-])c1 ZINC000598665170 449526967 /nfs/dbraw/zinc/52/69/67/449526967.db2.gz LMHJLWOXNVTJRF-BETUJISGSA-N 1 0 347.375 1.069 20 5 EDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000600744061 449529898 /nfs/dbraw/zinc/52/98/98/449529898.db2.gz ADZFXZBDVCJBGT-CALCHBBNSA-N 1 0 332.404 1.855 20 5 EDBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000594468547 449537070 /nfs/dbraw/zinc/53/70/70/449537070.db2.gz OKFPPIJAVHLYKO-DYVFJYSZSA-N 1 0 341.371 2.313 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000596518847 449539609 /nfs/dbraw/zinc/53/96/09/449539609.db2.gz XPYVBXWYDOUVTL-SNVBAGLBSA-N 1 0 328.394 1.138 20 5 EDBDRO [NH3+][C@]12CCC[C@H]1CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000598681878 449539833 /nfs/dbraw/zinc/53/98/33/449539833.db2.gz JXXHWUXUNFPMMJ-BONVTDFDSA-N 1 0 338.795 2.000 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3COCC[NH2+]3)cs2)c1 ZINC000600777550 449543377 /nfs/dbraw/zinc/54/33/77/449543377.db2.gz UYQXHJYWJSZRRR-GFCCVEGCSA-N 1 0 334.401 1.796 20 5 EDBDRO CC(C)Oc1nc(NCCN2C[C@@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596426486 449497505 /nfs/dbraw/zinc/49/75/05/449497505.db2.gz AQVWGYVUANRSBU-CHWSQXEVSA-N 1 0 338.408 2.298 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598660980 449525047 /nfs/dbraw/zinc/52/50/47/449525047.db2.gz BADBTQBDGBBPFK-LBPRGKRZSA-N 1 0 349.391 1.174 20 5 EDBDRO C[NH2+]C1(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCC1 ZINC000600826271 449567791 /nfs/dbraw/zinc/56/77/91/449567791.db2.gz ZIGMXTSPTWKWRC-UHFFFAOYSA-N 1 0 329.360 1.652 20 5 EDBDRO Cc1cc(NC(=O)NCCN(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596819591 449667382 /nfs/dbraw/zinc/66/73/82/449667382.db2.gz BOYOLRVHHBBAAJ-UHFFFAOYSA-N 1 0 337.424 1.908 20 5 EDBDRO CCC[NH+](CCC)CCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594758244 449673204 /nfs/dbraw/zinc/67/32/04/449673204.db2.gz CWFBQWUCGDZLOT-UHFFFAOYSA-N 1 0 344.437 1.780 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000614539168 449677532 /nfs/dbraw/zinc/67/75/32/449677532.db2.gz ABFIJXYLJOJWKS-SECBINFHSA-N 1 0 347.368 1.115 20 5 EDBDRO NC(=O)[C@@H]1CCCN1CCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000598990226 449683045 /nfs/dbraw/zinc/68/30/45/449683045.db2.gz KWBDZCYQHDWWIU-SEJWUHKESA-N 1 0 332.404 1.537 20 5 EDBDRO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000598990636 449684081 /nfs/dbraw/zinc/68/40/81/449684081.db2.gz OWJIIINQOZRSOY-QGZVFWFLSA-N 1 0 335.404 1.300 20 5 EDBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)cs1 ZINC000598991305 449684086 /nfs/dbraw/zinc/68/40/86/449684086.db2.gz NOFRGEFPJOLXEX-NSHDSACASA-N 1 0 345.388 1.463 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000598991671 449684426 /nfs/dbraw/zinc/68/44/26/449684426.db2.gz REPRIMGBSRPFAG-ZDUSSCGKSA-N 1 0 339.359 1.401 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000594787588 449696233 /nfs/dbraw/zinc/69/62/33/449696233.db2.gz ANSKIGJRWNDTKH-NSHDSACASA-N 1 0 342.421 1.389 20 5 EDBDRO C[C@@H]1CC[C@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000599105732 449737968 /nfs/dbraw/zinc/73/79/68/449737968.db2.gz PWSDQHYWYCVVRD-YPMHNXCESA-N 1 0 327.406 1.197 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1COCCN1C ZINC000599076696 449720173 /nfs/dbraw/zinc/72/01/73/449720173.db2.gz FAHKLGYEPQTQEM-SWLSCSKDSA-N 1 0 336.392 1.232 20 5 EDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000601163586 449726654 /nfs/dbraw/zinc/72/66/54/449726654.db2.gz KWNGMZWDMUBIMY-BDAKNGLRSA-N 1 0 349.313 1.256 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599102244 449733238 /nfs/dbraw/zinc/73/32/38/449733238.db2.gz CIHOTNDTTVPTSQ-IUCAKERBSA-N 1 0 347.368 1.161 20 5 EDBDRO CN1CC[NH+](CC2CN(c3ccc4ncccc4c3[N+](=O)[O-])C2)CC1 ZINC000599104388 449735042 /nfs/dbraw/zinc/73/50/42/449735042.db2.gz FKUCLNUNDYGVCS-UHFFFAOYSA-N 1 0 341.415 1.827 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602590855 449690576 /nfs/dbraw/zinc/69/05/76/449690576.db2.gz JKAWVENEQOBXBA-ZMLRMANQSA-N 1 0 339.779 1.978 20 5 EDBDRO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594779907 449691885 /nfs/dbraw/zinc/69/18/85/449691885.db2.gz UGMWKAZPYUPRSN-JTQLQIEISA-N 1 0 338.389 1.371 20 5 EDBDRO C[C@@H]1COCCN1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602594307 449694079 /nfs/dbraw/zinc/69/40/79/449694079.db2.gz RMQKWCOPQMQTGB-CQSZACIVSA-N 1 0 349.435 1.269 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000601183676 449739762 /nfs/dbraw/zinc/73/97/62/449739762.db2.gz BUTPUFPFQKXDQC-NEPJUHHUSA-N 1 0 339.417 1.386 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000601188393 449740698 /nfs/dbraw/zinc/74/06/98/449740698.db2.gz GBLNMDFESABYHV-KRWDZBQOSA-N 1 0 334.420 1.762 20 5 EDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2(N3CCOCC3)CCOCC2)cc1 ZINC000602689253 449751650 /nfs/dbraw/zinc/75/16/50/449751650.db2.gz AYAGTRXCRFDYNN-UHFFFAOYSA-N 1 0 349.431 1.608 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000602784871 449806562 /nfs/dbraw/zinc/80/65/62/449806562.db2.gz KBTMLLHFAYCKQA-MRXNPFEDSA-N 1 0 348.403 1.609 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000601351313 449864158 /nfs/dbraw/zinc/86/41/58/449864158.db2.gz DLUZZVXSBSXKJR-BXUZGUMPSA-N 1 0 325.390 1.357 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000601352007 449865839 /nfs/dbraw/zinc/86/58/39/449865839.db2.gz RSWVTYRAYXICNV-ZFWWWQNUSA-N 1 0 339.417 1.499 20 5 EDBDRO CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CC[N@H+](C)C1 ZINC000595100894 449868315 /nfs/dbraw/zinc/86/83/15/449868315.db2.gz BZWMVEJHBQCVNP-CYBMUJFWSA-N 1 0 334.376 1.394 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)nc1 ZINC000595109911 449874410 /nfs/dbraw/zinc/87/44/10/449874410.db2.gz XGFCHUHYTNXLMU-YPMHNXCESA-N 1 0 340.405 1.143 20 5 EDBDRO Cc1ccc([C@H](C)NS(=O)(=O)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000601363890 449877217 /nfs/dbraw/zinc/87/72/17/449877217.db2.gz ADONGWLNKNULFA-LBPRGKRZSA-N 1 0 329.422 1.835 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000595123894 449883445 /nfs/dbraw/zinc/88/34/45/449883445.db2.gz AARLOVPIWJUKQO-GFCCVEGCSA-N 1 0 336.392 1.607 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000601369464 449883732 /nfs/dbraw/zinc/88/37/32/449883732.db2.gz NREUVSYJORBAFF-WPRPVWTQSA-N 1 0 333.435 1.535 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])s1 ZINC000601342568 449851169 /nfs/dbraw/zinc/85/11/69/449851169.db2.gz YOGNRZKKOPFRAD-NXEZZACHSA-N 1 0 331.419 1.337 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC(C[NH+](C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000601424087 449943693 /nfs/dbraw/zinc/94/36/93/449943693.db2.gz XHSCLPGAZJQYKW-UHFFFAOYSA-N 1 0 327.406 1.394 20 5 EDBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000602922026 449922199 /nfs/dbraw/zinc/92/21/99/449922199.db2.gz KEFJBDILEXIYTR-JSGCOSHPSA-N 1 0 335.408 1.996 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000599412157 449957717 /nfs/dbraw/zinc/95/77/17/449957717.db2.gz GILPKGDLGKMDHZ-ZDUSSCGKSA-N 1 0 341.433 1.913 20 5 EDBDRO CC[NH+](CC)CC(=O)N1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000609143681 449967748 /nfs/dbraw/zinc/96/77/48/449967748.db2.gz JABFQRYRTNQWIB-UHFFFAOYSA-N 1 0 326.422 1.647 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595270476 449990521 /nfs/dbraw/zinc/99/05/21/449990521.db2.gz WIAIRTIPZOHVOL-HUUCEWRRSA-N 1 0 343.387 1.362 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000603083297 450056164 /nfs/dbraw/zinc/05/61/64/450056164.db2.gz JQBXUKZIIKGZJY-UHFFFAOYSA-N 1 0 330.348 1.076 20 5 EDBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601538525 450059618 /nfs/dbraw/zinc/05/96/18/450059618.db2.gz IQMHFYGGHKZGQK-OAHLLOKOSA-N 1 0 325.340 1.263 20 5 EDBDRO C[C@@H]1CN(CC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C[C@@H](C)O1 ZINC000595374606 450088463 /nfs/dbraw/zinc/08/84/63/450088463.db2.gz HPTRFVZWKNEWCQ-KFWWJZLASA-N 1 0 349.435 1.585 20 5 EDBDRO C[NH2+]CCOCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000599596309 450091087 /nfs/dbraw/zinc/09/10/87/450091087.db2.gz RHYHZXBYMWBMOT-UHFFFAOYSA-N 1 0 348.306 1.554 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c([N+](=O)[O-])c1 ZINC000599627255 450113563 /nfs/dbraw/zinc/11/35/63/450113563.db2.gz WBVQZDPXKFOJRU-BBKSZCTCSA-N 1 0 337.376 1.943 20 5 EDBDRO Cc1[nH]nc(C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)c1[N+](=O)[O-] ZINC000610764800 450327568 /nfs/dbraw/zinc/32/75/68/450327568.db2.gz TYSWFSYSMPSABL-NSHDSACASA-N 1 0 345.359 1.596 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CCCC[NH+](C)C ZINC000619489297 450488532 /nfs/dbraw/zinc/48/85/32/450488532.db2.gz RVPFCRFZYLZDOI-UHFFFAOYSA-N 1 0 345.421 1.566 20 5 EDBDRO NS(=O)(=O)c1ccc(OCCC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000577060535 491010819 /nfs/dbraw/zinc/01/08/19/491010819.db2.gz NOPSUWNDWXEKAZ-UHFFFAOYSA-N 1 0 329.378 1.011 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(NC[C@](C)(O)C[NH+](C)C)cc1Cl ZINC000132950754 533933193 /nfs/dbraw/zinc/93/31/93/533933193.db2.gz IHYZJWITJBLLTK-AWEZNQCLSA-N 1 0 345.783 1.759 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(NC[C@@](C)(O)C[NH+](C)C)cc1Cl ZINC000132950532 533933969 /nfs/dbraw/zinc/93/39/69/533933969.db2.gz IHYZJWITJBLLTK-CQSZACIVSA-N 1 0 345.783 1.759 20 5 EDBDRO CSc1ccc(C(=O)NCCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000158821858 534183813 /nfs/dbraw/zinc/18/38/13/534183813.db2.gz BLYXZQHDSVORNL-UHFFFAOYSA-N 1 0 338.433 1.342 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000174509781 527814148 /nfs/dbraw/zinc/81/41/48/527814148.db2.gz AHKXQBQAROYCIG-NSHDSACASA-N 1 0 336.348 1.917 20 5 EDBDRO CC1CC[NH+](CCCCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000186945323 528236664 /nfs/dbraw/zinc/23/66/64/528236664.db2.gz UYCMRHJQEPSZOI-UHFFFAOYSA-N 1 0 336.392 1.937 20 5 EDBDRO C[NH+]1CCN(c2ccc(CNc3ncc([N+](=O)[O-])s3)cn2)CC1 ZINC000195507411 536421444 /nfs/dbraw/zinc/42/14/44/536421444.db2.gz DRFWJLCFLQIGBD-UHFFFAOYSA-N 1 0 334.405 1.810 20 5 EDBDRO COC[C@]1(CNc2c(Br)cncc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261796409 536687391 /nfs/dbraw/zinc/68/73/91/536687391.db2.gz QYHANGRVASBWOH-GFCCVEGCSA-N 1 0 345.197 1.933 20 5 EDBDRO CC(C)[C@@H](C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000741014677 579393538 /nfs/dbraw/zinc/39/35/38/579393538.db2.gz OZRAUQOFXVJXMJ-HNNXBMFYSA-N 1 0 349.387 1.857 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000742912122 579465327 /nfs/dbraw/zinc/46/53/27/579465327.db2.gz YOKOUVLYBLXOSE-CYBMUJFWSA-N 1 0 345.403 1.745 20 5 EDBDRO Cc1n[nH]c(C(=O)N(CCc2ccccc2)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000729322349 578563662 /nfs/dbraw/zinc/56/36/62/578563662.db2.gz XIUNIEBAGZEEQP-UHFFFAOYSA-N 1 0 345.403 1.873 20 5 EDBDRO COc1cc(OCC(=O)N[C@H](C[NH+](C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000733168052 578745649 /nfs/dbraw/zinc/74/56/49/578745649.db2.gz QSLVUARRTRLCOK-CYBMUJFWSA-N 1 0 339.392 1.685 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736859884 579027834 /nfs/dbraw/zinc/02/78/34/579027834.db2.gz JJZBTZLSHFYRCD-OLZOCXBDSA-N 1 0 343.391 1.838 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000738227304 579173450 /nfs/dbraw/zinc/17/34/50/579173450.db2.gz NCLUHFYCYKCPQO-VIFPVBQESA-N 1 0 332.202 1.395 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCOCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000753430983 579879850 /nfs/dbraw/zinc/87/98/50/579879850.db2.gz AICIGQZYQFBCCY-UHFFFAOYSA-N 1 0 340.336 1.119 20 5 EDBDRO COC(=O)N1CC([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000773081481 580326599 /nfs/dbraw/zinc/32/65/99/580326599.db2.gz RWJUWPSDFOTQKY-UHFFFAOYSA-N 1 0 334.376 1.604 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000776574424 580421642 /nfs/dbraw/zinc/42/16/42/580421642.db2.gz HJDURBPBICJLAL-IRXDYDNUSA-N 1 0 335.404 1.425 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000776591592 580423055 /nfs/dbraw/zinc/42/30/55/580423055.db2.gz KRULYUVTOBAGQI-WMLDXEAASA-N 1 0 335.404 1.282 20 5 EDBDRO Cc1nn(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000779868608 580500298 /nfs/dbraw/zinc/50/02/98/580500298.db2.gz ZMFQHMDBFBPYAY-UKRRQHHQSA-N 1 0 336.440 1.015 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[N@H+]1CCC[C@H]1C ZINC000780864860 580535464 /nfs/dbraw/zinc/53/54/64/580535464.db2.gz BTAQYCLWANTPEU-GFCCVEGCSA-N 1 0 327.406 1.666 20 5 EDBDRO C[NH+]1CCC(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000781565817 580552573 /nfs/dbraw/zinc/55/25/73/580552573.db2.gz FIIXMVDYDRQRRM-UHFFFAOYSA-N 1 0 336.348 1.646 20 5 EDBDRO O=C(CC[NH+]1CCC2(CNC(=O)O2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000781995512 580562933 /nfs/dbraw/zinc/56/29/33/580562933.db2.gz WBDOWZSGCDGRJU-UHFFFAOYSA-N 1 0 348.359 1.498 20 5 EDBDRO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000791572365 580795771 /nfs/dbraw/zinc/79/57/71/580795771.db2.gz DRNXUFFCVAVMJA-OKILXGFUSA-N 1 0 332.404 1.726 20 5 EDBDRO C[C@]12CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]1C2(Cl)Cl ZINC000792910743 580830686 /nfs/dbraw/zinc/83/06/86/580830686.db2.gz WBWNHWFSIMTIJE-TUAOUCFPSA-N 1 0 349.218 1.668 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C1 ZINC000794634293 580900966 /nfs/dbraw/zinc/90/09/66/580900966.db2.gz WIXRLTLBCJSCAX-GFCCVEGCSA-N 1 0 347.375 1.395 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CC[NH+](CCCO)CC1 ZINC000892165298 590837186 /nfs/dbraw/zinc/83/71/86/590837186.db2.gz SMPWCTKFCBFRKJ-UHFFFAOYSA-N 1 0 334.351 1.787 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000892199877 590861165 /nfs/dbraw/zinc/86/11/65/590861165.db2.gz BMHVRYXICKYQNL-AWEZNQCLSA-N 1 0 336.392 1.839 20 5 EDBDRO Cc1nn(C)c(C(=O)N2[C@@H](CC[NH+](C)C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000893027468 591259062 /nfs/dbraw/zinc/25/90/62/591259062.db2.gz VELPBQYCONFTME-WCQYABFASA-N 1 0 337.424 1.972 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H](O)Cc3ccccc3F)C2)c1 ZINC000895748216 591264060 /nfs/dbraw/zinc/26/40/60/591264060.db2.gz GLTHTAKVANFLKS-PIMMBPRGSA-N 1 0 334.351 1.827 20 5 EDBDRO C[C@@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000895782937 591274322 /nfs/dbraw/zinc/27/43/22/591274322.db2.gz NJULEXOCEJIYLY-GFCCVEGCSA-N 1 0 333.388 1.883 20 5 EDBDRO CC[C@H](CN1CCOCC1)Nc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000895803678 591277014 /nfs/dbraw/zinc/27/70/14/591277014.db2.gz DWFBVXSADDLMLS-CYBMUJFWSA-N 1 0 336.392 1.477 20 5 EDBDRO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)O2)CO1 ZINC000895818927 591280557 /nfs/dbraw/zinc/28/05/57/591280557.db2.gz UGOIPXASHPQTNS-YPFBPSECSA-N 1 0 336.392 1.811 20 5 EDBDRO COc1cc([N+](=O)[O-])cnc1N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000894759239 591406422 /nfs/dbraw/zinc/40/64/22/591406422.db2.gz XJRSBFZIEXDCJU-UHFFFAOYSA-N 1 0 336.392 1.690 20 5 EDBDRO O=[N+]([O-])c1c(NC[C@H]2CC[N@@H+]2C2CCOCC2)nc2ccccn21 ZINC000896517382 591488512 /nfs/dbraw/zinc/48/85/12/591488512.db2.gz XNGCGSHCYZFTBY-CYBMUJFWSA-N 1 0 331.376 1.908 20 5 EDBDRO Cc1c(CC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000896554370 591518675 /nfs/dbraw/zinc/51/86/75/591518675.db2.gz WIBFKKYLOPFJMB-CZUORRHYSA-N 1 0 334.420 1.196 20 5 EDBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C12CCC2 ZINC000898834377 591546371 /nfs/dbraw/zinc/54/63/71/591546371.db2.gz HRHMXZRZNPYDFB-ZIAGYGMSSA-N 1 0 347.371 1.926 20 5 EDBDRO C[C@H](CNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)C[NH+](C)C ZINC000899137772 591705661 /nfs/dbraw/zinc/70/56/61/591705661.db2.gz CSARJYXHCRMVAA-CYBMUJFWSA-N 1 0 345.403 1.767 20 5 EDBDRO O=[N+]([O-])c1cncc(Cl)c1N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000897220852 591775576 /nfs/dbraw/zinc/77/55/76/591775576.db2.gz FBCRFWKBWHRDLN-VXGBXAGGSA-N 1 0 326.784 1.679 20 5 EDBDRO C[N@H+](CCO)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000899737421 591926767 /nfs/dbraw/zinc/92/67/67/591926767.db2.gz JDMIUPWGGXRMPT-UHFFFAOYSA-N 1 0 327.356 1.052 20 5 EDBDRO [NH3+]C[C@H]1CC2(CO1)CCN(c1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC000900362981 591995646 /nfs/dbraw/zinc/99/56/46/591995646.db2.gz JGJOZBGEANEZPB-LLVKDONJSA-N 1 0 326.784 1.977 20 5 EDBDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C2 ZINC000900485655 592031548 /nfs/dbraw/zinc/03/15/48/592031548.db2.gz OZGVOJBPKGHOIZ-UMNHJUIQSA-N 1 0 341.314 1.905 20 5 EDBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900659950 592083756 /nfs/dbraw/zinc/08/37/56/592083756.db2.gz QTVDNSXJFATMEE-JTQLQIEISA-N 1 0 344.774 1.363 20 5 EDBDRO C[C@@H]([NH2+]C[C@]1(CO)COCCN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903276739 592149667 /nfs/dbraw/zinc/14/96/67/592149667.db2.gz BOWIFOAKKSBEQA-ABAIWWIYSA-N 1 0 327.356 1.078 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000903596798 592238671 /nfs/dbraw/zinc/23/86/71/592238671.db2.gz TUSDKHNYMATBQQ-CYBMUJFWSA-N 1 0 329.353 1.251 20 5 EDBDRO O=[N+]([O-])c1ccccc1N1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903718821 592280885 /nfs/dbraw/zinc/28/08/85/592280885.db2.gz RIGYNARXGKBCBA-QAPCUYQASA-N 1 0 346.431 1.485 20 5 EDBDRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000901218409 592292370 /nfs/dbraw/zinc/29/23/70/592292370.db2.gz MCXSBXNJCGAHMB-QGZVFWFLSA-N 1 0 333.388 1.326 20 5 EDBDRO CN1CC[N@H+](C)CC(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000906773349 592326997 /nfs/dbraw/zinc/32/69/97/592326997.db2.gz WINQDNDPFPWBES-UHFFFAOYSA-N 1 0 348.447 1.527 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC[N@@H+]1C ZINC000906797343 592348085 /nfs/dbraw/zinc/34/80/85/592348085.db2.gz HIOMTSWYLOFSBF-RYUDHWBXSA-N 1 0 349.387 1.969 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C[C@H]1[NH+](C)C ZINC000906840373 592364411 /nfs/dbraw/zinc/36/44/11/592364411.db2.gz FKEWQNBUBPIGFS-DGCLKSJQSA-N 1 0 349.387 1.778 20 5 EDBDRO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906955764 592434754 /nfs/dbraw/zinc/43/47/54/592434754.db2.gz IYBPSUAFVVAWQT-WCQYABFASA-N 1 0 349.387 1.826 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000908346728 592455214 /nfs/dbraw/zinc/45/52/14/592455214.db2.gz HTYUNCMBMSSOML-AAEUAGOBSA-N 1 0 347.371 1.532 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)c1 ZINC000905450293 592529807 /nfs/dbraw/zinc/52/98/07/592529807.db2.gz BGTLOBDNFYQQGL-VNQPRFMTSA-N 1 0 334.351 1.767 20 5 EDBDRO Cc1cc(C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000908587677 592554969 /nfs/dbraw/zinc/55/49/69/592554969.db2.gz PPLKXBDVCVVNDS-UHFFFAOYSA-N 1 0 335.404 1.868 20 5 EDBDRO Cc1ncccc1CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000905700672 592614596 /nfs/dbraw/zinc/61/45/96/592614596.db2.gz VKAOQLIZTJATEE-OAHLLOKOSA-N 1 0 331.372 1.870 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000907547182 592702439 /nfs/dbraw/zinc/70/24/39/592702439.db2.gz BJMXTWPAJQGERY-DOMZBBRYSA-N 1 0 339.417 1.475 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910294418 592832814 /nfs/dbraw/zinc/83/28/14/592832814.db2.gz FXDWPXZRTHMTSF-GFCCVEGCSA-N 1 0 349.387 1.938 20 5 EDBDRO CCN(C[C@H](C)OC)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840077430 593118298 /nfs/dbraw/zinc/11/82/98/593118298.db2.gz MUXKUVQUIZYISQ-BLLLJJGKSA-N 1 0 337.376 1.846 20 5 EDBDRO C/C(=C/C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000793872949 593179973 /nfs/dbraw/zinc/17/99/73/593179973.db2.gz PGEDHZWBZJWDJX-GHRAKNKNSA-N 1 0 347.415 1.912 20 5 EDBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000811600673 593474973 /nfs/dbraw/zinc/47/49/73/593474973.db2.gz KNGRKWXKGZYQDL-LRDDRELGSA-N 1 0 348.403 1.933 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@H](C)C[NH+](C)C ZINC000813613999 593543655 /nfs/dbraw/zinc/54/36/55/593543655.db2.gz HQIIJOKTGCLNQR-VIFPVBQESA-N 1 0 340.336 1.899 20 5 EDBDRO CNC(=O)[C@@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000817370255 593596606 /nfs/dbraw/zinc/59/66/06/593596606.db2.gz IVLJFKOLAIDLLJ-CYBMUJFWSA-N 1 0 329.360 1.484 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000817373119 593597560 /nfs/dbraw/zinc/59/75/60/593597560.db2.gz AJMPSRUMLWWKRF-CQSZACIVSA-N 1 0 347.375 1.395 20 5 EDBDRO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815599070 593643981 /nfs/dbraw/zinc/64/39/81/593643981.db2.gz KHFPDAXPQGGPKC-SNVBAGLBSA-N 1 0 327.406 1.652 20 5 EDBDRO [NH3+]C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C1CCCC1 ZINC000818000922 593655497 /nfs/dbraw/zinc/65/54/97/593655497.db2.gz FDEIVTXHWBAGGA-CYBMUJFWSA-N 1 0 325.340 1.746 20 5 EDBDRO Cc1c(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818589677 593706144 /nfs/dbraw/zinc/70/61/44/593706144.db2.gz GIXIFFAVHASDAE-IPURGOFSSA-N 1 0 336.348 1.928 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCC2CCS(=O)(=O)CC2)cc1 ZINC000819200546 593743990 /nfs/dbraw/zinc/74/39/90/593743990.db2.gz ZGKXNIQRBUUSDR-OAHLLOKOSA-N 1 0 342.417 1.433 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC[C@H]21 ZINC000821624967 593885512 /nfs/dbraw/zinc/88/55/12/593885512.db2.gz BLWNUXMRVXPZKM-GXFFZTMASA-N 1 0 344.379 1.090 20 5 EDBDRO COC[C@@]1(c2nc(CCNc3ccccc3[N+](=O)[O-])no2)CC[NH2+]C1 ZINC000822791278 594101076 /nfs/dbraw/zinc/10/10/76/594101076.db2.gz QNMDCMPSBIIWJK-MRXNPFEDSA-N 1 0 347.375 1.510 20 5 EDBDRO C[C@@H]1CN(CCNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000824950499 594103316 /nfs/dbraw/zinc/10/33/16/594103316.db2.gz OXZSDYWIRMLSMK-BQGCOEIASA-N 1 0 347.415 1.924 20 5 EDBDRO [NH3+]CC1(Cc2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000823116484 594155729 /nfs/dbraw/zinc/15/57/29/594155729.db2.gz VINRTNWTMFMUNH-UHFFFAOYSA-N 1 0 345.359 1.118 20 5 EDBDRO C[C@@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000825466926 594189647 /nfs/dbraw/zinc/18/96/47/594189647.db2.gz KGPMCCFFIRMPRE-BBRMVZONSA-N 1 0 335.404 1.865 20 5 EDBDRO CCC[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000827589120 594239438 /nfs/dbraw/zinc/23/94/38/594239438.db2.gz ZAZJBLMVWSPSNW-AWEZNQCLSA-N 1 0 329.441 1.781 20 5 EDBDRO C[NH+](C)CC1CCC(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000825859180 594264436 /nfs/dbraw/zinc/26/44/36/594264436.db2.gz DKBGTZOTUIXFNX-UHFFFAOYSA-N 1 0 346.395 1.702 20 5 EDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000826677884 594553285 /nfs/dbraw/zinc/55/32/85/594553285.db2.gz RKTTXYZWVQTWQO-JTQLQIEISA-N 1 0 337.336 1.059 20 5 EDBDRO CC(C)(CCC(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1)[N+](=O)[O-] ZINC000826902861 594598926 /nfs/dbraw/zinc/59/89/26/594598926.db2.gz MEIFANLORZESKV-OAHLLOKOSA-N 1 0 341.452 1.925 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000829352502 594601226 /nfs/dbraw/zinc/60/12/26/594601226.db2.gz OTDTWGYZTKYXBD-AWEZNQCLSA-N 1 0 332.404 1.694 20 5 EDBDRO O=c1[n-]nc([C@@H]2CCC[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000829438061 594613297 /nfs/dbraw/zinc/61/32/97/594613297.db2.gz ACEHIPBMFZYYHD-YPMHNXCESA-N 1 0 334.332 1.596 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc([N+](=O)[O-])c1 ZINC000827371927 594665961 /nfs/dbraw/zinc/66/59/61/594665961.db2.gz BCXLMDZJMIUQAN-XHDPSFHLSA-N 1 0 347.371 1.548 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000832761644 594774776 /nfs/dbraw/zinc/77/47/76/594774776.db2.gz NUPWUBPBIXYZHO-NSHDSACASA-N 1 0 345.396 1.837 20 5 EDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841177892 594864073 /nfs/dbraw/zinc/86/40/73/594864073.db2.gz MATPBSYOKWQPOU-VIFPVBQESA-N 1 0 342.783 1.676 20 5 EDBDRO COc1cc(OS(=O)(=O)CCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000867211581 595031888 /nfs/dbraw/zinc/03/18/88/595031888.db2.gz PYOIVGUTXSCWDW-UHFFFAOYSA-N 1 0 344.389 1.798 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000834310638 595090000 /nfs/dbraw/zinc/09/00/00/595090000.db2.gz RBGXEWSZIZHFBS-MFKMUULPSA-N 1 0 325.315 1.849 20 5 EDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842474137 595114507 /nfs/dbraw/zinc/11/45/07/595114507.db2.gz GNGQCHWVWRVKQB-VHSXEESVSA-N 1 0 326.784 1.869 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842485037 595120604 /nfs/dbraw/zinc/12/06/04/595120604.db2.gz IESLTFJQRIWUQL-AWEZNQCLSA-N 1 0 325.390 1.420 20 5 EDBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843479400 595124304 /nfs/dbraw/zinc/12/43/04/595124304.db2.gz SLSGCWAENXFTEX-LBPRGKRZSA-N 1 0 341.751 1.225 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000834564428 595163844 /nfs/dbraw/zinc/16/38/44/595163844.db2.gz KDWRKJBHAMBNNO-HNNXBMFYSA-N 1 0 341.795 1.777 20 5 EDBDRO O=[N+]([O-])c1cc(-c2nc([C@@H]3CCC[NH2+]C3)no2)ccc1-n1cncn1 ZINC000842663578 595164701 /nfs/dbraw/zinc/16/47/01/595164701.db2.gz CQTXRXJCXFTEDA-LLVKDONJSA-N 1 0 341.331 1.693 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc([N+](=O)[O-])c1F ZINC000842764060 595191878 /nfs/dbraw/zinc/19/18/78/595191878.db2.gz JDEXOTPHCYSUGC-VHSXEESVSA-N 1 0 331.369 1.413 20 5 EDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000844040481 595254624 /nfs/dbraw/zinc/25/46/24/595254624.db2.gz NFMQEAKRDRMKAL-PPGNKHEKSA-N 1 0 346.387 1.186 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCCc3c2cnn3CCO)cc1 ZINC000843064060 595278523 /nfs/dbraw/zinc/27/85/23/595278523.db2.gz FTELMSKPCZAUHQ-WBVHZDCISA-N 1 0 346.387 1.484 20 5 EDBDRO Cc1cccc(OC[C@@H](O)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000843068442 595279872 /nfs/dbraw/zinc/27/98/72/595279872.db2.gz JSAINKXEHXEBJH-WMZOPIPTSA-N 1 0 346.383 1.966 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)c1ccsc1 ZINC000843083386 595282912 /nfs/dbraw/zinc/28/29/12/595282912.db2.gz HLLCDNZWHFVATF-JSGCOSHPSA-N 1 0 338.385 1.719 20 5 EDBDRO Cc1ccc([C@H](O)C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000843088805 595284602 /nfs/dbraw/zinc/28/46/02/595284602.db2.gz QBQSGRDEBVVHBB-GXTWGEPZSA-N 1 0 336.344 1.559 20 5 EDBDRO C[NH+]1CCC(ONC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000846651749 595293641 /nfs/dbraw/zinc/29/36/41/595293641.db2.gz VAEAVRSOHKWLBN-UHFFFAOYSA-N 1 0 335.360 1.700 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c2nonc21 ZINC000848794661 595449238 /nfs/dbraw/zinc/44/92/38/595449238.db2.gz STWPDFFLXOZFHD-GFCCVEGCSA-N 1 0 347.375 1.822 20 5 EDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccn(CC[NH+](C)C)n1)CC2 ZINC000847658331 595464586 /nfs/dbraw/zinc/46/45/86/595464586.db2.gz YTDORESXEHIIFL-UHFFFAOYSA-N 1 0 343.387 1.864 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC[C@@H]([NH3+])C(C)C)cc([N+](=O)[O-])c1F ZINC000850593689 595543358 /nfs/dbraw/zinc/54/33/58/595543358.db2.gz XJKOGYJBNTYHJS-LLVKDONJSA-N 1 0 333.385 1.694 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H](C)c1nccn1C ZINC000850709356 595605526 /nfs/dbraw/zinc/60/55/26/595605526.db2.gz PGTOQVONQLAAEL-SECBINFHSA-N 1 0 349.322 1.592 20 5 EDBDRO COc1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000858616039 595845285 /nfs/dbraw/zinc/84/52/85/595845285.db2.gz MHHXHVFVEOHVBJ-ZDUSSCGKSA-N 1 0 343.405 1.222 20 5 EDBDRO CC(C)N1CCO[C@@H](C(=[NH2+])NOCc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000853686177 595855439 /nfs/dbraw/zinc/85/54/39/595855439.db2.gz VTIKOAJHJBLBAJ-CQSZACIVSA-N 1 0 340.355 1.842 20 5 EDBDRO CC1(C)OC[C@@H](CC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)O1 ZINC000851717453 595895703 /nfs/dbraw/zinc/89/57/03/595895703.db2.gz SHLUYNPGRSVRPV-CQSZACIVSA-N 1 0 336.392 1.653 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000853965308 595935888 /nfs/dbraw/zinc/93/58/88/595935888.db2.gz GQJJPTRNJAQGON-CYBMUJFWSA-N 1 0 336.348 1.538 20 5 EDBDRO NC(=O)[C@@](O)(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000851869752 595956161 /nfs/dbraw/zinc/95/61/61/595956161.db2.gz QAAOSPBUGNWFDM-GOSISDBHSA-N 1 0 341.367 1.326 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)OC[C@@]1(C)C[C@H](OC)C[N@@H+]1C ZINC000861350573 595956856 /nfs/dbraw/zinc/95/68/56/595956856.db2.gz DRIHIJGYDRZSPB-BLLLJJGKSA-N 1 0 338.360 1.869 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861712805 596077299 /nfs/dbraw/zinc/07/72/99/596077299.db2.gz UMIWDJOAXKFTRT-VXGBXAGGSA-N 1 0 339.779 1.529 20 5 EDBDRO CN(CC1C[NH+](C)C1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000852199663 596084092 /nfs/dbraw/zinc/08/40/92/596084092.db2.gz OLKLFGHRBZGMDF-UHFFFAOYSA-N 1 0 326.784 1.951 20 5 EDBDRO C[NH+](C)CCONC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000861858470 596126686 /nfs/dbraw/zinc/12/66/86/596126686.db2.gz SOZPGBJZJKKUHP-UHFFFAOYSA-N 1 0 332.154 1.580 20 5 EDBDRO Cc1ccc(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1[N+](=O)[O-] ZINC000866711199 596304220 /nfs/dbraw/zinc/30/42/20/596304220.db2.gz DZLKXVHNWNYBDT-IMJJTQAJSA-N 1 0 346.387 1.270 20 5 EDBDRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000123309150 596346194 /nfs/dbraw/zinc/34/61/94/596346194.db2.gz CIVRVAGRQZGLKL-NXEZZACHSA-N 1 0 333.797 1.796 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[NH2+]CCC2(C)C)c1[N+](=O)[O-] ZINC000866803681 596355432 /nfs/dbraw/zinc/35/54/32/596355432.db2.gz YBHGBYLMJDRYIZ-UHFFFAOYSA-N 1 0 341.433 1.974 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866830170 596369992 /nfs/dbraw/zinc/36/99/92/596369992.db2.gz BMSMYJVKIOTLEL-QWRGUYRKSA-N 1 0 345.808 1.763 20 5 EDBDRO O=[N+]([O-])c1cc(CO)c(NC[C@@H](O)C[NH+]2CCCCC2)cc1F ZINC000865443196 596576757 /nfs/dbraw/zinc/57/67/57/596576757.db2.gz YXTVFYKVGQGEPM-GFCCVEGCSA-N 1 0 327.356 1.485 20 5 EDBDRO CC[N@H+](CCN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000863503615 596602876 /nfs/dbraw/zinc/60/28/76/596602876.db2.gz NRGWZNQBHRIPEZ-KRWDZBQOSA-N 1 0 346.387 1.846 20 5 EDBDRO C[C@@H](CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O)[N@H+](C)C1CC1 ZINC000863504124 596603729 /nfs/dbraw/zinc/60/37/29/596603729.db2.gz ZLOVJQYOBSHYEV-GTNSWQLSSA-N 1 0 346.387 1.845 20 5 EDBDRO C[NH2+]CCOCCN(C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000863550714 596615196 /nfs/dbraw/zinc/61/51/96/596615196.db2.gz DMYMIJJDFTVZIM-UHFFFAOYSA-N 1 0 344.799 1.355 20 5 EDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000869780504 596632633 /nfs/dbraw/zinc/63/26/33/596632633.db2.gz WMNOJRJGUJHFQO-JTQLQIEISA-N 1 0 341.795 1.823 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000869816624 596648607 /nfs/dbraw/zinc/64/86/07/596648607.db2.gz YIXHRPBMGIZLFL-UHFFFAOYSA-N 1 0 326.356 1.881 20 5 EDBDRO CC1(C)CC[NH2+]CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000872290932 596869723 /nfs/dbraw/zinc/86/97/23/596869723.db2.gz JNFCZYWSLUPQKE-UHFFFAOYSA-N 1 0 343.387 1.995 20 5 EDBDRO CN(Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCCN(C)C1=O ZINC000872672397 597024614 /nfs/dbraw/zinc/02/46/14/597024614.db2.gz NVMAOVIIJNKOQR-CQSZACIVSA-N 1 0 331.376 1.845 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000874840951 597194761 /nfs/dbraw/zinc/19/47/61/597194761.db2.gz SFHAVYPIWKKLJZ-UONOGXRCSA-N 1 0 347.371 1.481 20 5 EDBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877281639 597486122 /nfs/dbraw/zinc/48/61/22/597486122.db2.gz NNITTYFCPXUQCL-GDBMZVCRSA-N 1 0 341.371 1.747 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877285859 597486850 /nfs/dbraw/zinc/48/68/50/597486850.db2.gz ZCLDZRYCAQUDMR-KBPBESRZSA-N 1 0 329.360 1.297 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881472588 597630253 /nfs/dbraw/zinc/63/02/53/597630253.db2.gz KWULJSMMJGBABB-MRXNPFEDSA-N 1 0 347.415 1.897 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000879574958 597638347 /nfs/dbraw/zinc/63/83/47/597638347.db2.gz HEYMOLFBNAAACT-IUODEOHRSA-N 1 0 348.403 1.568 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH2+]CCC23CCC3)c1 ZINC000883479478 597768435 /nfs/dbraw/zinc/76/84/35/597768435.db2.gz ZVCMUGWRAKZOKO-UHFFFAOYSA-N 1 0 325.390 1.502 20 5 EDBDRO CC(C)(O)[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000879959637 597784404 /nfs/dbraw/zinc/78/44/04/597784404.db2.gz QQAROAWOEBIFFM-DZGCQCFKSA-N 1 0 338.404 1.817 20 5 EDBDRO COC(=O)C(C)(C)C[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])CC(C)C ZINC000880384213 597919620 /nfs/dbraw/zinc/91/96/20/597919620.db2.gz SEMOCWMJCXXOOD-UHFFFAOYSA-N 1 0 326.397 1.986 20 5 EDBDRO CC(C)[N@H+](C)CCCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000915282635 695780675 /nfs/dbraw/zinc/78/06/75/695780675.db2.gz PBCQWQUJKZOPQO-UHFFFAOYSA-N 1 0 333.392 1.791 20 5 EDBDRO O=[N+]([O-])c1cccc(N2CCN(C[C@H](O)C[NH+]3CCCC3)CC2)c1 ZINC000915679819 695971170 /nfs/dbraw/zinc/97/11/70/695971170.db2.gz HDKFSBBUAMZAJR-QGZVFWFLSA-N 1 0 334.420 1.174 20 5 EDBDRO C[N@H+]1C[C@]2(C)CN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000918360202 697157760 /nfs/dbraw/zinc/15/77/60/697157760.db2.gz QDTGBBGVWCJNHM-BETUJISGSA-N 1 0 345.446 1.619 20 5 EDBDRO Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1F ZINC000996439916 702769670 /nfs/dbraw/zinc/76/96/70/702769670.db2.gz JJEITUPHXGFLMV-GDBMZVCRSA-N 1 0 335.379 1.880 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2csc(Cl)n2)CC1 ZINC000996429710 702783695 /nfs/dbraw/zinc/78/36/95/702783695.db2.gz TXALKVXWYDYSIJ-GHMZBOCLSA-N 1 0 344.824 1.542 20 5 EDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC2CC2)CC1 ZINC000053237262 214171692 /nfs/dbraw/zinc/17/16/92/214171692.db2.gz BOVTWZUXKUXULD-CYBMUJFWSA-N 1 0 332.404 1.949 20 5 EDBDRO CC[C@@H]1CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000174604932 529380144 /nfs/dbraw/zinc/38/01/44/529380144.db2.gz JJIBVHOHMFRZIR-UKRRQHHQSA-N 1 0 335.404 1.820 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174198238 231147608 /nfs/dbraw/zinc/14/76/08/231147608.db2.gz JFLKADFOXRNACO-CQSZACIVSA-N 1 0 348.403 1.187 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000066105835 215012447 /nfs/dbraw/zinc/01/24/47/215012447.db2.gz BHBOKZDPMUGUFJ-LBPRGKRZSA-N 1 0 343.380 1.593 20 5 EDBDRO Cc1nn(CCC(=O)N(C)CC2CC[NH+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000103450893 219301262 /nfs/dbraw/zinc/30/12/62/219301262.db2.gz UHABWICCSTWYTC-UHFFFAOYSA-N 1 0 337.424 1.598 20 5 EDBDRO C[C@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000180880656 234018476 /nfs/dbraw/zinc/01/84/76/234018476.db2.gz VJTCWJVCWMLYMZ-IINYFYTJSA-N 1 0 345.396 1.920 20 5 EDBDRO CO[C@](C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000562998470 306315216 /nfs/dbraw/zinc/31/52/16/306315216.db2.gz JFHMGWHWOXNVSD-HZPDHXFCSA-N 1 0 334.376 1.304 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000356731287 283055342 /nfs/dbraw/zinc/05/53/42/283055342.db2.gz OUTCBJLMSOTKHM-IUODEOHRSA-N 1 0 329.360 1.504 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C[C@@H]12 ZINC000185072847 235575190 /nfs/dbraw/zinc/57/51/90/235575190.db2.gz URYNTYPCEWFDJL-IACUBPJLSA-N 1 0 330.388 1.978 20 5 EDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000563580885 306339637 /nfs/dbraw/zinc/33/96/37/306339637.db2.gz CRAXYSCCRTVFEJ-LLVKDONJSA-N 1 0 339.417 1.895 20 5 EDBDRO O=C1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCN1 ZINC000104679064 138300103 /nfs/dbraw/zinc/30/01/03/138300103.db2.gz AKFDNXIFVBOBNE-UHFFFAOYSA-N 1 0 330.344 1.614 20 5 EDBDRO Cc1sc(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000123995894 138322985 /nfs/dbraw/zinc/32/29/85/138322985.db2.gz BTYRINFHXRKUMX-SNVBAGLBSA-N 1 0 333.435 1.537 20 5 EDBDRO C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@H](c1ccccc1)[NH+](C)C ZINC000187213993 236148207 /nfs/dbraw/zinc/14/82/07/236148207.db2.gz FWBYKUVIMJDHMX-MLGOLLRUSA-N 1 0 331.376 1.599 20 5 EDBDRO CC1CC[NH+](CCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000108396609 219856293 /nfs/dbraw/zinc/85/62/93/219856293.db2.gz CTHSPWBWKBPPID-UHFFFAOYSA-N 1 0 341.433 1.746 20 5 EDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCS(=O)(=O)NCc2ccccc2)c1 ZINC000131419192 223231187 /nfs/dbraw/zinc/23/11/87/223231187.db2.gz QVVMTVDQPATCDE-UHFFFAOYSA-N 1 0 349.412 1.804 20 5 EDBDRO Nc1c(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000131632001 223252689 /nfs/dbraw/zinc/25/26/89/223252689.db2.gz CDHGGIPNIVEZQP-LBPRGKRZSA-N 1 0 336.392 1.144 20 5 EDBDRO COc1ccc(NC(=O)CC[N@H+](C)CC[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000072713600 216297366 /nfs/dbraw/zinc/29/73/66/216297366.db2.gz UNEBEUMKGIPCFT-LLVKDONJSA-N 1 0 325.365 1.635 20 5 EDBDRO Cc1c(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000072795003 216307046 /nfs/dbraw/zinc/30/70/46/216307046.db2.gz FVTRJHGIJMUDPR-LBPRGKRZSA-N 1 0 334.376 1.252 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH+](C)C)c1 ZINC000414464803 304116891 /nfs/dbraw/zinc/11/68/91/304116891.db2.gz OPRNNRQJPAEBJN-STQMWFEESA-N 1 0 341.433 1.973 20 5 EDBDRO COCC(COC)[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000414474563 304117577 /nfs/dbraw/zinc/11/75/77/304117577.db2.gz SMOQJMZSJQWVNB-ALCCZGGFSA-N 1 0 349.431 1.887 20 5 EDBDRO C[NH2+]CC1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000237355722 139048967 /nfs/dbraw/zinc/04/89/67/139048967.db2.gz NFZZNPCDYQQYGS-UHFFFAOYSA-N 1 0 327.406 1.523 20 5 EDBDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000237558183 139054082 /nfs/dbraw/zinc/05/40/82/139054082.db2.gz WLMMLPYAPQBRMG-BXKDBHETSA-N 1 0 347.824 1.996 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCOCC2)CC1 ZINC000081034531 217352976 /nfs/dbraw/zinc/35/29/76/217352976.db2.gz XJFMVHAGMDQYTB-UHFFFAOYSA-N 1 0 349.387 1.297 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000237752185 139059669 /nfs/dbraw/zinc/05/96/69/139059669.db2.gz XEONAFKWQBWHGQ-VIFPVBQESA-N 1 0 333.797 1.526 20 5 EDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237996056 139066067 /nfs/dbraw/zinc/06/60/67/139066067.db2.gz TXCXOAKZMGVCBW-ZDUSSCGKSA-N 1 0 332.404 1.924 20 5 EDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000081364171 217388690 /nfs/dbraw/zinc/38/86/90/217388690.db2.gz GFPHVLOVTVLAHN-AWEZNQCLSA-N 1 0 337.424 1.680 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000567711883 306460240 /nfs/dbraw/zinc/46/02/40/306460240.db2.gz UHZGHBJCCKGGOE-OLZOCXBDSA-N 1 0 332.360 1.136 20 5 EDBDRO CCCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CC[NH2+]C1 ZINC000415389508 304211905 /nfs/dbraw/zinc/21/19/05/304211905.db2.gz JIGHQBZBAMONSI-LBPRGKRZSA-N 1 0 334.376 1.442 20 5 EDBDRO CSCc1cccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000568859487 306490689 /nfs/dbraw/zinc/49/06/89/306490689.db2.gz MPCWYYNGZOXUNJ-OAHLLOKOSA-N 1 0 336.417 1.805 20 5 EDBDRO Cc1c(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000415415429 304217710 /nfs/dbraw/zinc/21/77/10/304217710.db2.gz QRPRXXAYMUPSTH-GFCCVEGCSA-N 1 0 334.376 1.348 20 5 EDBDRO Cc1c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000252977996 139205420 /nfs/dbraw/zinc/20/54/20/139205420.db2.gz XJUFQWDIQRQTSA-DRZSPHRISA-N 1 0 348.359 1.929 20 5 EDBDRO COc1ccc(NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000415454164 304222028 /nfs/dbraw/zinc/22/20/28/304222028.db2.gz ZWSPYHXXMJYCLS-ZDUSSCGKSA-N 1 0 349.391 1.115 20 5 EDBDRO COCC1(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000261688593 139217636 /nfs/dbraw/zinc/21/76/36/139217636.db2.gz NKAUXDJOIWIAPT-UHFFFAOYSA-N 1 0 337.376 1.349 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)cc1C ZINC000261786744 139225979 /nfs/dbraw/zinc/22/59/79/139225979.db2.gz SPORUSWCEBKJNZ-ZDUSSCGKSA-N 1 0 341.433 1.961 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000261891226 139234564 /nfs/dbraw/zinc/23/45/64/139234564.db2.gz NSDVWLDLHRZHFU-AEGPPILISA-N 1 0 339.417 1.484 20 5 EDBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261876832 139233404 /nfs/dbraw/zinc/23/34/04/139233404.db2.gz MBFLZEXGBPHMOK-NSHDSACASA-N 1 0 338.795 1.368 20 5 EDBDRO C[C@@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@H](C[NH3+])C1 ZINC000261886806 139234082 /nfs/dbraw/zinc/23/40/82/139234082.db2.gz UTPARCOOXYRLKU-WBMJQRKESA-N 1 0 343.387 1.980 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 ZINC000261975054 139241074 /nfs/dbraw/zinc/24/10/74/139241074.db2.gz ZMFMDFBZUXUWMX-MNOVXSKESA-N 1 0 342.421 1.019 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000415443062 250941975 /nfs/dbraw/zinc/94/19/75/250941975.db2.gz HBDXSKLQXXNMSY-WCQYABFASA-N 1 0 334.376 1.339 20 5 EDBDRO COc1ccccc1[C@@H]1C[NH2+]CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000262292338 139267277 /nfs/dbraw/zinc/26/72/77/139267277.db2.gz WFKHJJAXHFDRAW-HNNXBMFYSA-N 1 0 331.376 1.446 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000417174005 251143915 /nfs/dbraw/zinc/14/39/15/251143915.db2.gz HOOVLPJLVGYQHZ-MRXNPFEDSA-N 1 0 336.392 1.792 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCC1=CC[NH2+]CC1 ZINC000417170370 251143940 /nfs/dbraw/zinc/14/39/40/251143940.db2.gz CPHXQBYMNFOWPO-UHFFFAOYSA-N 1 0 334.376 1.712 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000417203853 251146805 /nfs/dbraw/zinc/14/68/05/251146805.db2.gz ZKJYQGCFQMAWIX-VXGBXAGGSA-N 1 0 336.392 1.791 20 5 EDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262379219 139274758 /nfs/dbraw/zinc/27/47/58/139274758.db2.gz MSAROVPVQDCPMW-NWDGAFQWSA-N 1 0 329.360 1.590 20 5 EDBDRO Cc1ccc(NCCCNC(=O)N2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000417718202 251241591 /nfs/dbraw/zinc/24/15/91/251241591.db2.gz NYBSNQNAXPGVTF-CYBMUJFWSA-N 1 0 335.408 1.838 20 5 EDBDRO CO[C@@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000417944611 251317321 /nfs/dbraw/zinc/31/73/21/251317321.db2.gz POHGNORHWRINDZ-HUUCEWRRSA-N 1 0 336.392 1.285 20 5 EDBDRO [NH3+][C@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000417993508 251318713 /nfs/dbraw/zinc/31/87/13/251318713.db2.gz QHFZQAQAZITPSA-LBPRGKRZSA-N 1 0 326.784 1.923 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000262589970 139288719 /nfs/dbraw/zinc/28/87/19/139288719.db2.gz CLFVQUPKHRZXIO-NEPJUHHUSA-N 1 0 335.360 1.335 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415582649 304232168 /nfs/dbraw/zinc/23/21/68/304232168.db2.gz PLZXLUGVUMJFIZ-CQSZACIVSA-N 1 0 347.419 1.723 20 5 EDBDRO Cc1ccnc(NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1[N+](=O)[O-] ZINC000420250191 251658153 /nfs/dbraw/zinc/65/81/53/251658153.db2.gz YZEBERNAKYVSED-JTQLQIEISA-N 1 0 333.314 1.546 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420352671 251693875 /nfs/dbraw/zinc/69/38/75/251693875.db2.gz AVMIQFMRCXURST-KRWDZBQOSA-N 1 0 332.404 1.917 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000262812163 139305529 /nfs/dbraw/zinc/30/55/29/139305529.db2.gz UTOZDHSMEAEOBJ-PWSUYJOCSA-N 1 0 327.406 1.576 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000262815010 139305551 /nfs/dbraw/zinc/30/55/51/139305551.db2.gz PBPWNDZLUIYSLT-YPMHNXCESA-N 1 0 329.360 1.508 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000262815007 139305643 /nfs/dbraw/zinc/30/56/43/139305643.db2.gz PBPWNDZLUIYSLT-WCQYABFASA-N 1 0 329.360 1.508 20 5 EDBDRO COC(=O)c1cc(NC(=O)NC[C@@H]([NH3+])C2CC2)c(C)c([N+](=O)[O-])c1 ZINC000415595498 304235625 /nfs/dbraw/zinc/23/56/25/304235625.db2.gz HHDDTMRDNWLKQU-LLVKDONJSA-N 1 0 336.348 1.549 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[NH2+]1 ZINC000262854584 139308252 /nfs/dbraw/zinc/30/82/52/139308252.db2.gz KMHVSWKEJMHLNG-DGCLKSJQSA-N 1 0 329.360 1.651 20 5 EDBDRO COC(=O)c1cc(NC(=O)NC2CC[NH2+]CC2)c(C)c([N+](=O)[O-])c1 ZINC000415600312 304236497 /nfs/dbraw/zinc/23/64/97/304236497.db2.gz NQNCVENIZTVXKN-UHFFFAOYSA-N 1 0 336.348 1.563 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262895495 139311150 /nfs/dbraw/zinc/31/11/50/139311150.db2.gz XEQVNEBMGSXJQD-NOZJJQNGSA-N 1 0 330.344 1.576 20 5 EDBDRO C[C@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000423948077 252107193 /nfs/dbraw/zinc/10/71/93/252107193.db2.gz JSIJIBGUVSSOBL-GZMMTYOYSA-N 1 0 347.293 1.955 20 5 EDBDRO Cc1cc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000424224611 252170100 /nfs/dbraw/zinc/17/01/00/252170100.db2.gz KMSATXVBOGYVLF-LSDHHAIUSA-N 1 0 329.360 1.204 20 5 EDBDRO COC(=O)c1cc(NC(=O)N2CC[NH2+][C@@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000415607121 304238078 /nfs/dbraw/zinc/23/80/78/304238078.db2.gz ZSBXMLJZLOUSBL-VIFPVBQESA-N 1 0 336.348 1.515 20 5 EDBDRO CCOc1cc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000262976751 139316413 /nfs/dbraw/zinc/31/64/13/139316413.db2.gz YFAOQMUHRGAPSX-GHMZBOCLSA-N 1 0 337.376 1.872 20 5 EDBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCC[C@H]1O ZINC000426201930 252323963 /nfs/dbraw/zinc/32/39/63/252323963.db2.gz QZROUIZNTCMSQA-HZPDHXFCSA-N 1 0 333.388 1.719 20 5 EDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000415701789 304259334 /nfs/dbraw/zinc/25/93/34/304259334.db2.gz OTUZFKWQXWETGJ-UHFFFAOYSA-N 1 0 329.154 1.794 20 5 EDBDRO O=[N+]([O-])c1cncc(Br)c1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261591823 285187341 /nfs/dbraw/zinc/18/73/41/285187341.db2.gz MBYNOKMZHWJFRR-WCBMZHEXSA-N 1 0 327.182 1.941 20 5 EDBDRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415743475 304263731 /nfs/dbraw/zinc/26/37/31/304263731.db2.gz LWNIBZBXOKUDBV-GMSGAONNSA-N 1 0 326.740 1.135 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000415773548 304268173 /nfs/dbraw/zinc/26/81/73/304268173.db2.gz WDURWILWOUJOSE-UHFFFAOYSA-N 1 0 346.387 1.444 20 5 EDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N[C@@H]1C[NH2+]CCC1(F)F ZINC000493042407 255189154 /nfs/dbraw/zinc/18/91/54/255189154.db2.gz BXJKKJPUYQNYSM-DTRQGZQOSA-N 1 0 329.278 1.861 20 5 EDBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493039176 255189258 /nfs/dbraw/zinc/18/92/58/255189258.db2.gz KWFKUTOHDCEECO-KTKRTIGZSA-N 1 0 348.447 1.950 20 5 EDBDRO Cc1cccc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000116922551 221011809 /nfs/dbraw/zinc/01/18/09/221011809.db2.gz FJPBFUXGZQEGMS-UHFFFAOYSA-N 1 0 349.412 1.971 20 5 EDBDRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000118121686 221123882 /nfs/dbraw/zinc/12/38/82/221123882.db2.gz XZFURQQQPFFPPB-UHFFFAOYSA-N 1 0 334.376 1.442 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118105189 221118924 /nfs/dbraw/zinc/11/89/24/221118924.db2.gz UHNPZVCRSCOQGV-SNVBAGLBSA-N 1 0 340.767 1.397 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000119123104 221249149 /nfs/dbraw/zinc/24/91/49/221249149.db2.gz ZJIZXLZSIRJIFM-UHFFFAOYSA-N 1 0 347.375 1.199 20 5 EDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000347363539 533380184 /nfs/dbraw/zinc/38/01/84/533380184.db2.gz RSFCRXXWOMRDCS-BXBOZWQASA-N 1 0 349.431 1.623 20 5 EDBDRO C[NH+](C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1 ZINC000265456401 139478610 /nfs/dbraw/zinc/47/86/10/139478610.db2.gz FLEVSECIZJUXDT-UHFFFAOYSA-N 1 0 346.343 1.888 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000370090460 291993640 /nfs/dbraw/zinc/99/36/40/291993640.db2.gz GRNLXPJBIPAZJL-XYYAHUGASA-N 1 0 339.417 1.854 20 5 EDBDRO Cc1sc(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000268429976 139779168 /nfs/dbraw/zinc/77/91/68/139779168.db2.gz CVOBYTUSAPXVOX-UHFFFAOYSA-N 1 0 341.433 1.930 20 5 EDBDRO Cc1cc(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000268474222 139785974 /nfs/dbraw/zinc/78/59/74/139785974.db2.gz NGCKUNBANNQVBY-UHFFFAOYSA-N 1 0 335.404 1.868 20 5 EDBDRO C[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@H]1CCC[NH2+]C1 ZINC000269199335 139892699 /nfs/dbraw/zinc/89/26/99/139892699.db2.gz MEGNILQYJVSUFT-NEPJUHHUSA-N 1 0 344.375 1.293 20 5 EDBDRO CC(C)[C@H]([NH3+])CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000269284206 139908939 /nfs/dbraw/zinc/90/89/39/139908939.db2.gz RQKLXJXSVVTEKQ-SNVBAGLBSA-N 1 0 342.783 1.078 20 5 EDBDRO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H]1CCC[C@@H]1O ZINC000270059083 140040106 /nfs/dbraw/zinc/04/01/06/140040106.db2.gz GRCWOQPWKZVGOM-BBRMVZONSA-N 1 0 333.388 1.577 20 5 EDBDRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000270224379 140062598 /nfs/dbraw/zinc/06/25/98/140062598.db2.gz NDFNKYOPNPZHHG-BETUJISGSA-N 1 0 348.403 1.266 20 5 EDBDRO COc1ccc(NC(=O)CN(C)CCc2cnccn2)c([N+](=O)[O-])c1 ZINC000271328828 140279297 /nfs/dbraw/zinc/27/92/97/140279297.db2.gz LIMDMUMRXUOEKA-UHFFFAOYSA-N 1 0 345.359 1.506 20 5 EDBDRO CCOC(=O)CN(C)C(=O)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000271680299 140332719 /nfs/dbraw/zinc/33/27/19/140332719.db2.gz BLFDTIYHVPLLNY-CQSZACIVSA-N 1 0 337.376 1.657 20 5 EDBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H]1[NH+]1CCCC1 ZINC000331559420 141048125 /nfs/dbraw/zinc/04/81/25/141048125.db2.gz KECAJPMHUVIKLL-OLZOCXBDSA-N 1 0 338.433 1.585 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000332303657 141159081 /nfs/dbraw/zinc/15/90/81/141159081.db2.gz ZZIIXSUUEPBEPH-VXGBXAGGSA-N 1 0 333.392 1.358 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)CC[NH+]2CCCC2)c(C)cc1[N+](=O)[O-] ZINC000416389709 304314293 /nfs/dbraw/zinc/31/42/93/304314293.db2.gz PSNKRWLMLZUTHH-UHFFFAOYSA-N 1 0 341.433 1.928 20 5 EDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1cnccn1 ZINC000341896495 142663563 /nfs/dbraw/zinc/66/35/63/142663563.db2.gz POIHDOIRPQYGQH-LBPRGKRZSA-N 1 0 329.360 1.934 20 5 EDBDRO Cc1noc([C@@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC000346269925 143185777 /nfs/dbraw/zinc/18/57/77/143185777.db2.gz MSZXLRGDRIPVRI-GFCCVEGCSA-N 1 0 331.332 1.375 20 5 EDBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000347089978 143281408 /nfs/dbraw/zinc/28/14/08/143281408.db2.gz IOEARXCNPYVNBO-AWEZNQCLSA-N 1 0 349.431 1.788 20 5 EDBDRO CCOc1ccc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000347765674 143360253 /nfs/dbraw/zinc/36/02/53/143360253.db2.gz ABHGOVHUDIZCIW-GOEBONIOSA-N 1 0 349.387 1.539 20 5 EDBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000349052116 143476112 /nfs/dbraw/zinc/47/61/12/143476112.db2.gz LEGOYQZGDQWIJT-TZMCWYRMSA-N 1 0 332.335 1.938 20 5 EDBDRO C[C@@H](NC(=O)N1CC[C@H](N2CCOCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000341073111 149063975 /nfs/dbraw/zinc/06/39/75/149063975.db2.gz NTCOVCMEPGGQEA-KGLIPLIRSA-N 1 0 348.403 1.772 20 5 EDBDRO CC[C@H]([NH3+])CNC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000416899278 304354625 /nfs/dbraw/zinc/35/46/25/304354625.db2.gz DZLNCUJOEYFPRQ-NSHDSACASA-N 1 0 340.380 1.191 20 5 EDBDRO COC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)CCOCC1 ZINC000352784902 149163773 /nfs/dbraw/zinc/16/37/73/149163773.db2.gz SHTSHMCNADSBKB-UHFFFAOYSA-N 1 0 338.360 1.805 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000353211793 149326644 /nfs/dbraw/zinc/32/66/44/149326644.db2.gz VFFPDHQTEBNCQC-OCCSQVGLSA-N 1 0 338.360 1.540 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(OC)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355364828 150236777 /nfs/dbraw/zinc/23/67/77/150236777.db2.gz GWUFCUHMJUMJOZ-ZBFHGGJFSA-N 1 0 349.387 1.539 20 5 EDBDRO C[NH+](C)CCN(Cc1ccccn1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357439881 151033290 /nfs/dbraw/zinc/03/32/90/151033290.db2.gz JTJRAZPDRQQHKK-UHFFFAOYSA-N 1 0 344.375 1.052 20 5 EDBDRO CSC1(CNc2nccc(C(N)=O)c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000357542898 151061812 /nfs/dbraw/zinc/06/18/12/151061812.db2.gz CAMQSXPLZJXIJO-UHFFFAOYSA-N 1 0 339.421 1.328 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000357572088 151071040 /nfs/dbraw/zinc/07/10/40/151071040.db2.gz PZOFJJVSWBJXJA-BXUZGUMPSA-N 1 0 337.376 1.635 20 5 EDBDRO C[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)CN1CCO ZINC000417075555 304369918 /nfs/dbraw/zinc/36/99/18/304369918.db2.gz VFSIUPYAABOMGC-MNOVXSKESA-N 1 0 340.355 1.653 20 5 EDBDRO CCC[C@@H]([NH2+]C[C@H]1CS(=O)(=O)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000358298084 151329538 /nfs/dbraw/zinc/32/95/38/151329538.db2.gz HBEBFPDXMVMSMF-LSDHHAIUSA-N 1 0 342.417 1.839 20 5 EDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000358308364 151332334 /nfs/dbraw/zinc/33/23/34/151332334.db2.gz OQBPGVIIHOLGFA-LBPRGKRZSA-N 1 0 325.413 1.763 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@]4(CC[NH2+]C4)C3)n2)c1 ZINC000360534657 152084505 /nfs/dbraw/zinc/08/45/05/152084505.db2.gz IJKFYZNVQNRHLH-INIZCTEOSA-N 1 0 329.360 1.830 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000360654349 152139860 /nfs/dbraw/zinc/13/98/60/152139860.db2.gz ULLRHPDJEYRRBE-YPMHNXCESA-N 1 0 341.433 1.918 20 5 EDBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC[N@@H+]1C ZINC000361083733 152297633 /nfs/dbraw/zinc/29/76/33/152297633.db2.gz QILXOVAMTLDELU-NXEZZACHSA-N 1 0 328.394 1.137 20 5 EDBDRO CCCN(C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000417178492 304381205 /nfs/dbraw/zinc/38/12/05/304381205.db2.gz DUNBRIUOIIOANJ-ZDUSSCGKSA-N 1 0 336.392 1.887 20 5 EDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000363239220 152932668 /nfs/dbraw/zinc/93/26/68/152932668.db2.gz RSTLXDBVTKEAJE-UHFFFAOYSA-N 1 0 339.417 1.983 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000417183601 304381777 /nfs/dbraw/zinc/38/17/77/304381777.db2.gz PYXHSKPIGGLTPK-GLQYFDAESA-N 1 0 348.403 1.872 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000417180620 304381466 /nfs/dbraw/zinc/38/14/66/304381466.db2.gz HAXIVUUZVCPNMK-INIZCTEOSA-N 1 0 334.376 1.498 20 5 EDBDRO CCC[NH+]1CCC(N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000363646245 153021407 /nfs/dbraw/zinc/02/14/07/153021407.db2.gz VQELZLZUXWMNNU-UHFFFAOYSA-N 1 0 333.436 1.986 20 5 EDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000363688487 153030264 /nfs/dbraw/zinc/03/02/64/153030264.db2.gz DNUXLHHXURLNGR-RYUDHWBXSA-N 1 0 339.779 1.841 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363708031 153035164 /nfs/dbraw/zinc/03/51/64/153035164.db2.gz INKBTKXLZWRYLD-CQSZACIVSA-N 1 0 349.387 1.343 20 5 EDBDRO CCC[N@@H+]1CCCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000364116202 153149047 /nfs/dbraw/zinc/14/90/47/153149047.db2.gz XGCRVAQOETYVPO-UHFFFAOYSA-N 1 0 337.424 1.743 20 5 EDBDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000364206215 153173175 /nfs/dbraw/zinc/17/31/75/153173175.db2.gz JXLBZNKHELZVKL-CQSZACIVSA-N 1 0 332.404 1.493 20 5 EDBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000370215657 155381382 /nfs/dbraw/zinc/38/13/82/155381382.db2.gz NDVDFSLPOQBHCA-INIZCTEOSA-N 1 0 329.404 1.998 20 5 EDBDRO COc1ccc(CNC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417194378 304383197 /nfs/dbraw/zinc/38/31/97/304383197.db2.gz QFZQDNVSBNPQHU-DGCLKSJQSA-N 1 0 336.392 1.791 20 5 EDBDRO C[NH2+]CC1CCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000417199806 304383759 /nfs/dbraw/zinc/38/37/59/304383759.db2.gz YZIHYQXLKKYKML-UHFFFAOYSA-N 1 0 336.392 1.744 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000372289949 156314774 /nfs/dbraw/zinc/31/47/74/156314774.db2.gz SYAYFNYOOCAJAO-AWEZNQCLSA-N 1 0 329.360 1.727 20 5 EDBDRO C[NH+](C)CCN1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000373970712 157087923 /nfs/dbraw/zinc/08/79/23/157087923.db2.gz SYDWHTCGIVYYAF-UHFFFAOYSA-N 1 0 334.420 1.233 20 5 EDBDRO Cc1cc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc([N+](=O)[O-])c1 ZINC000374227789 157203801 /nfs/dbraw/zinc/20/38/01/157203801.db2.gz CUDIVBHZNCUSCS-INIZCTEOSA-N 1 0 346.431 1.755 20 5 EDBDRO C[N@@H+]1CCCC12CCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000374596595 157340807 /nfs/dbraw/zinc/34/08/07/157340807.db2.gz RSPRJDIDJLRKNE-OAHLLOKOSA-N 1 0 349.431 1.895 20 5 EDBDRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375382501 157558859 /nfs/dbraw/zinc/55/88/59/157558859.db2.gz WSZXAKHMVLMRDN-QWHCGFSZSA-N 1 0 338.412 1.478 20 5 EDBDRO Cc1nc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)ccc1[N+](=O)[O-] ZINC000378131873 158087619 /nfs/dbraw/zinc/08/76/19/158087619.db2.gz GTZFVSOUPXKYQH-HNNXBMFYSA-N 1 0 333.436 1.903 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000378252069 158122024 /nfs/dbraw/zinc/12/20/24/158122024.db2.gz MXOGMOTWTSVQOZ-UHFFFAOYSA-N 1 0 339.417 1.808 20 5 EDBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)c2nonc21 ZINC000378293028 158130683 /nfs/dbraw/zinc/13/06/83/158130683.db2.gz MJSYXLMHPXPCBB-NSHDSACASA-N 1 0 333.348 1.796 20 5 EDBDRO COc1cc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000352546588 162243464 /nfs/dbraw/zinc/24/34/64/162243464.db2.gz XMHTYZJJFGQXBF-HNNXBMFYSA-N 1 0 335.404 1.758 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000124178516 287395407 /nfs/dbraw/zinc/39/54/07/287395407.db2.gz ABPLNPKPCNTFBJ-UHFFFAOYSA-N 1 0 334.376 1.396 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000120403575 221568739 /nfs/dbraw/zinc/56/87/39/221568739.db2.gz SIJAMORFJYCLSI-ONGXEEELSA-N 1 0 327.768 1.884 20 5 EDBDRO C[C@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000261995207 299853251 /nfs/dbraw/zinc/85/32/51/299853251.db2.gz UHXNIFVUHZIENB-HZMBPMFUSA-N 1 0 327.406 1.562 20 5 EDBDRO C[C@H]1CCCC[N@@H+]1CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273483005 268049485 /nfs/dbraw/zinc/04/94/85/268049485.db2.gz NAWCSXIJLUHSNB-NSHDSACASA-N 1 0 342.421 1.529 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](C[NH3+])C2)cc1SC ZINC000274821588 268214406 /nfs/dbraw/zinc/21/44/06/268214406.db2.gz SRLWICFMQYFXFL-VIFPVBQESA-N 1 0 341.389 1.125 20 5 EDBDRO CNC(=O)c1ccn([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000275363006 268330720 /nfs/dbraw/zinc/33/07/20/268330720.db2.gz BHINANPZBPJBHW-HNNXBMFYSA-N 1 0 343.387 1.988 20 5 EDBDRO COC(=O)c1cnc(NCCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000276519546 268436638 /nfs/dbraw/zinc/43/66/38/268436638.db2.gz GHHUVZKOZAPBHR-UHFFFAOYSA-N 1 0 338.364 1.301 20 5 EDBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000275244414 273109698 /nfs/dbraw/zinc/10/96/98/273109698.db2.gz PAXXVTWNQYBPJB-LSDHHAIUSA-N 1 0 342.417 1.916 20 5 EDBDRO C[C@@H](O)CN1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000275778151 273128182 /nfs/dbraw/zinc/12/81/82/273128182.db2.gz HXEOWJRMKYTWJM-SECBINFHSA-N 1 0 345.197 1.255 20 5 EDBDRO O=C(C[NH2+][C@@H]1CCC[C@H]1CCO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000279238207 273287140 /nfs/dbraw/zinc/28/71/40/273287140.db2.gz JTQLMFZYHXRQMW-SWLSCSKDSA-N 1 0 333.388 1.625 20 5 EDBDRO CNC(=O)[C@@]1(C)CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000280716081 273389417 /nfs/dbraw/zinc/38/94/17/273389417.db2.gz HTDPZTUFQLMQRG-INIZCTEOSA-N 1 0 337.376 1.440 20 5 EDBDRO COCC[N@@H+]1CCCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000360146520 274026731 /nfs/dbraw/zinc/02/67/31/274026731.db2.gz FBIBRTYKXQFUCX-UHFFFAOYSA-N 1 0 337.376 1.540 20 5 EDBDRO Cn1cc([C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]2C(N)=O)cn1 ZINC000284539532 274238097 /nfs/dbraw/zinc/23/80/97/274238097.db2.gz HPZONDWSSSUHRK-KGLIPLIRSA-N 1 0 347.350 1.168 20 5 EDBDRO COC(=O)c1cc(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000284855719 274360998 /nfs/dbraw/zinc/36/09/98/274360998.db2.gz DXVHWOFMLSFLSO-LSDHHAIUSA-N 1 0 349.387 1.599 20 5 EDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC2(C1)CC[NH2+]CC2 ZINC000376151404 274970042 /nfs/dbraw/zinc/97/00/42/274970042.db2.gz QUYDNTUWEPCDPO-UHFFFAOYSA-N 1 0 332.404 1.999 20 5 EDBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000422789911 275749580 /nfs/dbraw/zinc/74/95/80/275749580.db2.gz BRQBTDAHRJVEJX-CYBMUJFWSA-N 1 0 331.376 1.882 20 5 EDBDRO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000412415117 276044013 /nfs/dbraw/zinc/04/40/13/276044013.db2.gz CGOYSRXMXBGRBW-AWEZNQCLSA-N 1 0 349.435 1.805 20 5 EDBDRO C[NH+](C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000370917305 276877294 /nfs/dbraw/zinc/87/72/94/276877294.db2.gz MIVXCROJAZNBGM-RDJZCZTQSA-N 1 0 343.387 1.525 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237147023 277278259 /nfs/dbraw/zinc/27/82/59/277278259.db2.gz OEXQTFWDDWDTKW-HNNXBMFYSA-N 1 0 329.360 1.605 20 5 EDBDRO COc1cc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])cc1F ZINC000372743037 277381866 /nfs/dbraw/zinc/38/18/66/277381866.db2.gz BNRAEVKBVGVISN-DOMZBBRYSA-N 1 0 339.367 1.778 20 5 EDBDRO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000262010592 278360839 /nfs/dbraw/zinc/36/08/39/278360839.db2.gz WIIOHSMYVZQWAF-ZJUUUORDSA-N 1 0 347.824 1.915 20 5 EDBDRO COCCC[N@H+](C)CCNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000287294557 288202643 /nfs/dbraw/zinc/20/26/43/288202643.db2.gz MKCUUUZZZKMTRD-UHFFFAOYSA-N 1 0 340.380 1.465 20 5 EDBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000287387496 288226506 /nfs/dbraw/zinc/22/65/06/288226506.db2.gz INRUBMODZXAGCX-JSGCOSHPSA-N 1 0 343.387 1.958 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)c1[N+](=O)[O-] ZINC000359983354 280798712 /nfs/dbraw/zinc/79/87/12/280798712.db2.gz HQTTZXNJQVZMLI-GFCCVEGCSA-N 1 0 327.406 1.569 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292052377 289249724 /nfs/dbraw/zinc/24/97/24/289249724.db2.gz NSVWJSCOBSYKPC-OAHLLOKOSA-N 1 0 339.417 1.620 20 5 EDBDRO C[NH+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000264015682 289317788 /nfs/dbraw/zinc/31/77/88/289317788.db2.gz MLAAUCOOMRMQPU-CQSZACIVSA-N 1 0 332.404 1.971 20 5 EDBDRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000292404266 289338020 /nfs/dbraw/zinc/33/80/20/289338020.db2.gz LMGAAUJEOLUHSC-QLFBSQMISA-N 1 0 342.417 1.574 20 5 EDBDRO Cn1cc([C@@H]2[C@@H](CNc3ccc([N+](=O)[O-])cn3)CCC[N@@H+]2C)cn1 ZINC000377707533 447306235 /nfs/dbraw/zinc/30/62/35/447306235.db2.gz RBDAOLFCVXDXDX-WBMJQRKESA-N 1 0 330.392 2.218 20 5 EDBDRO [NH3+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000158171390 295334870 /nfs/dbraw/zinc/33/48/70/295334870.db2.gz URLJGEVUHWGLAL-QMMMGPOBSA-N 1 0 328.166 1.921 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418556132 304512897 /nfs/dbraw/zinc/51/28/97/304512897.db2.gz FCPIIBZWVQMNQI-FZMZJTMJSA-N 1 0 334.376 1.497 20 5 EDBDRO CS(=O)(=O)c1ccc(NC[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420272120 304741328 /nfs/dbraw/zinc/74/13/28/304741328.db2.gz CXZLKTCEMDGYSE-WDEREUQCSA-N 1 0 327.406 1.928 20 5 EDBDRO [NH3+]Cc1cn([C@@H]2CCCN(c3c4c(ccc3[N+](=O)[O-])NCC4)C2)nn1 ZINC000420281813 304743076 /nfs/dbraw/zinc/74/30/76/304743076.db2.gz MNIJCYMAEGOWTL-GFCCVEGCSA-N 1 0 343.391 1.455 20 5 EDBDRO C[C@@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000420291637 304743626 /nfs/dbraw/zinc/74/36/26/304743626.db2.gz XLTIXDYVYSDKEI-RDTXWAMCSA-N 1 0 348.447 1.848 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000420440365 304758103 /nfs/dbraw/zinc/75/81/03/304758103.db2.gz CAIDPBLPGQSCEU-JQWIXIFHSA-N 1 0 327.406 1.569 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000376769308 302043471 /nfs/dbraw/zinc/04/34/71/302043471.db2.gz WLJFWMDEGXOLNA-OAHLLOKOSA-N 1 0 339.417 1.667 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000293808840 303022306 /nfs/dbraw/zinc/02/23/06/303022306.db2.gz FATDBMYWGXAJFH-JKSUJKDBSA-N 1 0 333.388 1.838 20 5 EDBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000294995631 303160725 /nfs/dbraw/zinc/16/07/25/303160725.db2.gz ZLCVBYLOXBELHF-NSHDSACASA-N 1 0 335.360 1.628 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295347153 303207764 /nfs/dbraw/zinc/20/77/64/303207764.db2.gz NWADJKXSMMUWDZ-YHWZYXNKSA-N 1 0 339.417 1.807 20 5 EDBDRO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@@H+](C2CC2)C1 ZINC000295391503 303212766 /nfs/dbraw/zinc/21/27/66/303212766.db2.gz QOEAJDCWTMYFAO-SNVBAGLBSA-N 1 0 336.367 1.872 20 5 EDBDRO Cn1ccnc1C(=O)c1ccc(N2CC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000301147265 303663117 /nfs/dbraw/zinc/66/31/17/303663117.db2.gz HGLGNUWOBKFKOH-CYBMUJFWSA-N 1 0 343.387 1.700 20 5 EDBDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342956730 303800943 /nfs/dbraw/zinc/80/09/43/303800943.db2.gz RQIMMJPSCMIRCH-LBPRGKRZSA-N 1 0 346.387 1.653 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC2(CC[NH2+]2)CC1 ZINC000422637580 304875488 /nfs/dbraw/zinc/87/54/88/304875488.db2.gz OWGJOEXOXHBFSQ-UHFFFAOYSA-N 1 0 346.387 1.721 20 5 EDBDRO COc1ccc(CSCC(=O)N2CC[C@H]([NH3+])[C@H]2C)cc1[N+](=O)[O-] ZINC000423689258 304904300 /nfs/dbraw/zinc/90/43/00/304904300.db2.gz XLJHEWQPABOFPT-PWSUYJOCSA-N 1 0 339.417 1.785 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000423690381 304904431 /nfs/dbraw/zinc/90/44/31/304904431.db2.gz YUFGHELNSWLWOR-TZMCWYRMSA-N 1 0 348.403 1.282 20 5 EDBDRO Cc1nn(CCC(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000423974352 304921822 /nfs/dbraw/zinc/92/18/22/304921822.db2.gz NHMRGTVBQINQJA-CABCVRRESA-N 1 0 349.435 1.789 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423976765 304921999 /nfs/dbraw/zinc/92/19/99/304921999.db2.gz PBMHNZDRCACGSR-BBRMVZONSA-N 1 0 333.388 1.964 20 5 EDBDRO CC[NH2+]CC1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000430575159 305056763 /nfs/dbraw/zinc/05/67/63/305056763.db2.gz KHYNTVPJHBQFIU-UHFFFAOYSA-N 1 0 334.420 1.879 20 5 EDBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)n(C2CC[NH+](C)CC2)n1 ZINC000431524704 305078617 /nfs/dbraw/zinc/07/86/17/305078617.db2.gz MTZFRIXNSGGNQI-UHFFFAOYSA-N 1 0 332.364 1.947 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCC(=O)N1 ZINC000433096260 305100152 /nfs/dbraw/zinc/10/01/52/305100152.db2.gz HGIQYVPVGRZZCD-WCQYABFASA-N 1 0 334.376 1.570 20 5 EDBDRO C[C@H](O)C[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000436442688 305157374 /nfs/dbraw/zinc/15/73/74/305157374.db2.gz CPYCHITZZWDBBI-JTQLQIEISA-N 1 0 326.372 1.598 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCO)C1CCC1 ZINC000439290209 305196020 /nfs/dbraw/zinc/19/60/20/305196020.db2.gz VBXSDQFXBQSVIO-UHFFFAOYSA-N 1 0 337.376 1.779 20 5 EDBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H](O)COc1ccccc1 ZINC000444803842 305253364 /nfs/dbraw/zinc/25/33/64/305253364.db2.gz GPSMUQNONAXHOA-INIZCTEOSA-N 1 0 348.403 1.942 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1([NH+](C)C)CCC1 ZINC000445740692 305259930 /nfs/dbraw/zinc/25/99/30/305259930.db2.gz JYVJSXDRASXPEE-UHFFFAOYSA-N 1 0 341.433 1.920 20 5 EDBDRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000447255041 305276391 /nfs/dbraw/zinc/27/63/91/305276391.db2.gz ISCKUVILCWTGJW-RKDXNWHRSA-N 1 0 333.797 1.606 20 5 EDBDRO CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447538494 305281714 /nfs/dbraw/zinc/28/17/14/305281714.db2.gz CGYUPRSPHZUEDS-UMSGYPCISA-N 1 0 328.438 1.977 20 5 EDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCC[C@@H]1C(N)=O ZINC000449119992 305307118 /nfs/dbraw/zinc/30/71/18/305307118.db2.gz BOZXIQZRJLFDCC-XJKSGUPXSA-N 1 0 334.420 1.455 20 5 EDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCCS1(=O)=O ZINC000449134271 305307373 /nfs/dbraw/zinc/30/73/73/305307373.db2.gz HYLUMFUZTZFRMA-LBPRGKRZSA-N 1 0 327.406 1.151 20 5 EDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000449153485 305308072 /nfs/dbraw/zinc/30/80/72/305308072.db2.gz DMXBUUUHJPFFRN-DOMZBBRYSA-N 1 0 343.387 1.654 20 5 EDBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449716433 305317933 /nfs/dbraw/zinc/31/79/33/305317933.db2.gz CRMNSJHCTKSYTQ-KCPJHIHWSA-N 1 0 337.376 1.705 20 5 EDBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000451247847 305335367 /nfs/dbraw/zinc/33/53/67/305335367.db2.gz AKCQQZMXJUXYCE-OCCSQVGLSA-N 1 0 349.387 1.986 20 5 EDBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000451294641 305336968 /nfs/dbraw/zinc/33/69/68/305336968.db2.gz CMCPWZNBILFMBU-SQWLQELKSA-N 1 0 336.388 1.835 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000451305704 305337883 /nfs/dbraw/zinc/33/78/83/305337883.db2.gz QTRFNJNEZIQPQE-BMFZPTHFSA-N 1 0 336.388 1.965 20 5 EDBDRO CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551263 305352973 /nfs/dbraw/zinc/35/29/73/305352973.db2.gz UCBSONHPVQTWLV-AWEZNQCLSA-N 1 0 341.433 1.666 20 5 EDBDRO NC(=O)c1ccc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000451612445 305356294 /nfs/dbraw/zinc/35/62/94/305356294.db2.gz QDMYWBOWAAFSFQ-GOEBONIOSA-N 1 0 333.388 1.580 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C2CC3(CCC3)C2)cc1 ZINC000459389796 305519794 /nfs/dbraw/zinc/51/97/94/305519794.db2.gz RJFCPZXHNYXDEU-UHFFFAOYSA-N 1 0 339.417 1.795 20 5 EDBDRO CC[C@H](O)C[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000486929777 305546488 /nfs/dbraw/zinc/54/64/88/305546488.db2.gz VLQZEESCUNTIPL-AWEZNQCLSA-N 1 0 347.375 1.538 20 5 EDBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000494917881 305633715 /nfs/dbraw/zinc/63/37/15/305633715.db2.gz NMIKZCVCYLFUNI-DGCLKSJQSA-N 1 0 347.371 1.119 20 5 EDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000515500611 305723608 /nfs/dbraw/zinc/72/36/08/305723608.db2.gz UATNNGPVINQOMP-BHYGNILZSA-N 1 0 349.431 1.907 20 5 EDBDRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000542165497 306051716 /nfs/dbraw/zinc/05/17/16/306051716.db2.gz FETFARIKCHPOKQ-ZDUSSCGKSA-N 1 0 333.388 1.448 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2cn3ccccc3n2)c1 ZINC000554184839 306189441 /nfs/dbraw/zinc/18/94/41/306189441.db2.gz WIHYXYXUQWOHNF-OAHLLOKOSA-N 1 0 342.355 1.772 20 5 EDBDRO [NH3+]CC[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(F)F ZINC000449631849 447381334 /nfs/dbraw/zinc/38/13/34/447381334.db2.gz WXAMLWRSEZKCSE-VIFPVBQESA-N 1 0 339.302 1.493 20 5 EDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000044336167 440837241 /nfs/dbraw/zinc/83/72/41/440837241.db2.gz VFCYIAHNTBYYII-UHFFFAOYSA-N 1 0 338.433 1.510 20 5 EDBDRO C[C@H]1C[NH+](CCCNC(=O)c2csc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000045065727 440944978 /nfs/dbraw/zinc/94/49/78/440944978.db2.gz GRMWRXSHHCEOMV-QWRGUYRKSA-N 1 0 327.406 1.885 20 5 EDBDRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000046035058 441071234 /nfs/dbraw/zinc/07/12/34/441071234.db2.gz OWKBCCBTAFHOJG-GFCCVEGCSA-N 1 0 327.406 1.605 20 5 EDBDRO CCN(CC)S(=O)(=O)c1ccc(NCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000008147749 441084320 /nfs/dbraw/zinc/08/43/20/441084320.db2.gz MSTYNHUMQYGIEC-UHFFFAOYSA-N 1 0 344.437 1.599 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000104748248 441204181 /nfs/dbraw/zinc/20/41/81/441204181.db2.gz GXAAMUOJSLWDCW-NSHDSACASA-N 1 0 343.405 1.176 20 5 EDBDRO O=C(C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 ZINC000061778470 441288332 /nfs/dbraw/zinc/28/83/32/441288332.db2.gz HKNGYNFRRNWGSS-UHFFFAOYSA-N 1 0 333.388 1.666 20 5 EDBDRO COC(=O)CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)C ZINC000063513291 441334925 /nfs/dbraw/zinc/33/49/25/441334925.db2.gz OQJFEFCBMJMNKI-UHFFFAOYSA-N 1 0 337.376 1.715 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CCC([NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000063735300 441348152 /nfs/dbraw/zinc/34/81/52/441348152.db2.gz HADQOYNZOUBQFP-UHFFFAOYSA-N 1 0 335.360 1.548 20 5 EDBDRO COC(=O)c1cc(C(=O)NC[C@H](C)[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000063733254 441348464 /nfs/dbraw/zinc/34/84/64/441348464.db2.gz NNVQMKGBQYMXLV-NSHDSACASA-N 1 0 335.360 1.596 20 5 EDBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)CC1 ZINC000106807764 441374994 /nfs/dbraw/zinc/37/49/94/441374994.db2.gz BZOLBCGISIKULN-AWEZNQCLSA-N 1 0 347.419 1.029 20 5 EDBDRO Cc1sc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000106820951 441377165 /nfs/dbraw/zinc/37/71/65/441377165.db2.gz WOYRYKWSMGFAIZ-JTQLQIEISA-N 1 0 326.422 1.330 20 5 EDBDRO CC[NH+]1CCN([C@@H]2CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000107370361 441414706 /nfs/dbraw/zinc/41/47/06/441414706.db2.gz GIPOMCLHVWZTFM-CQSZACIVSA-N 1 0 336.411 1.946 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NC[C@H](C)[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000052641264 441466863 /nfs/dbraw/zinc/46/68/63/441466863.db2.gz YGSCGKSCJQFIRV-LBPRGKRZSA-N 1 0 349.387 1.986 20 5 EDBDRO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000032435810 441556719 /nfs/dbraw/zinc/55/67/19/441556719.db2.gz GXYVJIKYMSMXSK-NSHDSACASA-N 1 0 345.421 1.612 20 5 EDBDRO CC[NH+](CC)[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000067274096 441623109 /nfs/dbraw/zinc/62/31/09/441623109.db2.gz FXAPIXQVOATTSP-AWEZNQCLSA-N 1 0 349.391 1.974 20 5 EDBDRO CC1CC[NH+](C[C@H](O)CNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000067373281 441633514 /nfs/dbraw/zinc/63/35/14/441633514.db2.gz UMXKMXNSGCSXNO-LLVKDONJSA-N 1 0 339.421 1.809 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000415439438 447441218 /nfs/dbraw/zinc/44/12/18/447441218.db2.gz LUALRTZJIQUARS-NEPJUHHUSA-N 1 0 334.376 1.428 20 5 EDBDRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000041321439 441644356 /nfs/dbraw/zinc/64/43/56/441644356.db2.gz JCWCIASMRPSHKD-AWEZNQCLSA-N 1 0 336.392 1.626 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067571534 441654104 /nfs/dbraw/zinc/65/41/04/441654104.db2.gz VYKRQOLMOFLGNL-OAHLLOKOSA-N 1 0 343.387 1.995 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000173337085 441717422 /nfs/dbraw/zinc/71/74/22/441717422.db2.gz NOYAVMHVFNAYQM-VXGBXAGGSA-N 1 0 327.406 1.699 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000091457533 441702451 /nfs/dbraw/zinc/70/24/51/441702451.db2.gz YHVYZVZRSVXDFN-NSHDSACASA-N 1 0 331.376 1.975 20 5 EDBDRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173320528 441712858 /nfs/dbraw/zinc/71/28/58/441712858.db2.gz KVTKYDMHMIPTEW-GFCCVEGCSA-N 1 0 329.422 1.917 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)C2CC2)cc1OC ZINC000067701301 441668865 /nfs/dbraw/zinc/66/88/65/441668865.db2.gz ZQSZQRKRQNBHNJ-UHFFFAOYSA-N 1 0 337.376 1.826 20 5 EDBDRO C[NH+]1CCC(CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000121718500 441764799 /nfs/dbraw/zinc/76/47/99/441764799.db2.gz KQLLAWCJJRFWOB-UHFFFAOYSA-N 1 0 348.403 1.173 20 5 EDBDRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173367434 441725006 /nfs/dbraw/zinc/72/50/06/441725006.db2.gz LHGABXNBNLBHMC-GFCCVEGCSA-N 1 0 341.433 1.917 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000160170213 441863564 /nfs/dbraw/zinc/86/35/64/441863564.db2.gz VLTFKGKEKMYURU-VHSXEESVSA-N 1 0 329.378 1.104 20 5 EDBDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000160236664 441868197 /nfs/dbraw/zinc/86/81/97/441868197.db2.gz RIKRWINFCCSTRL-GFCCVEGCSA-N 1 0 325.340 1.311 20 5 EDBDRO CCn1nc2c(cc1=O)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000078615585 441952666 /nfs/dbraw/zinc/95/26/66/441952666.db2.gz WIWYDXQCWGKZLJ-UHFFFAOYSA-N 1 0 344.371 1.609 20 5 EDBDRO C[C@@H]1C[C@H](N(C)C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000175100701 442005011 /nfs/dbraw/zinc/00/50/11/442005011.db2.gz MISRNFOVFJBPPN-TZMCWYRMSA-N 1 0 348.403 1.266 20 5 EDBDRO CCC(CC)(C[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(=O)OC ZINC000120733742 442124604 /nfs/dbraw/zinc/12/46/04/442124604.db2.gz CEOHTIFOFRZLOI-UHFFFAOYSA-N 1 0 337.376 1.763 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000175842114 442132910 /nfs/dbraw/zinc/13/29/10/442132910.db2.gz PZPZLCROMCEXAW-UHFFFAOYSA-N 1 0 334.376 1.235 20 5 EDBDRO C[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000151947486 442144970 /nfs/dbraw/zinc/14/49/70/442144970.db2.gz VPJHCFWMZJVYJM-ZDUSSCGKSA-N 1 0 341.433 1.746 20 5 EDBDRO COC(=O)c1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc([N+](=O)[O-])c1 ZINC000163838721 442183303 /nfs/dbraw/zinc/18/33/03/442183303.db2.gz AOTYTPQMNDFNGO-BETUJISGSA-N 1 0 333.344 1.348 20 5 EDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176014655 442161194 /nfs/dbraw/zinc/16/11/94/442161194.db2.gz HDZVSPODONREEZ-OAHLLOKOSA-N 1 0 348.403 1.459 20 5 EDBDRO C[NH+](C)C1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000127846006 442228320 /nfs/dbraw/zinc/22/83/20/442228320.db2.gz LVWQBCJTTSZIPH-UHFFFAOYSA-N 1 0 332.404 1.510 20 5 EDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000176899897 442269585 /nfs/dbraw/zinc/26/95/85/442269585.db2.gz HCMWDEDSYKMCKN-CYBMUJFWSA-N 1 0 339.392 1.690 20 5 EDBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000128525263 442272289 /nfs/dbraw/zinc/27/22/89/442272289.db2.gz SDDXBEYBHCYEGA-VXGBXAGGSA-N 1 0 338.412 1.059 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000154313237 442331890 /nfs/dbraw/zinc/33/18/90/442331890.db2.gz PMCQSFUZUHMUIC-AWEZNQCLSA-N 1 0 337.424 1.726 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1C ZINC000154371142 442335972 /nfs/dbraw/zinc/33/59/72/442335972.db2.gz KQHIENXMOIHQQG-OAHLLOKOSA-N 1 0 339.417 1.586 20 5 EDBDRO COC[C@](C)(CCO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000177409494 442337457 /nfs/dbraw/zinc/33/74/57/442337457.db2.gz LLWUCTVHMCRGSP-INIZCTEOSA-N 1 0 339.392 1.609 20 5 EDBDRO C[NH+](C)CCn1cc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cn1 ZINC000130221590 442341115 /nfs/dbraw/zinc/34/11/15/442341115.db2.gz IQKLDQLPMXVBBV-UHFFFAOYSA-N 1 0 343.347 1.482 20 5 EDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000129405808 442315343 /nfs/dbraw/zinc/31/53/43/442315343.db2.gz UAILJNAOGLBPDE-MRVPVSSYSA-N 1 0 330.182 1.943 20 5 EDBDRO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1CCOCC1 ZINC000156093940 442446688 /nfs/dbraw/zinc/44/66/88/442446688.db2.gz SFXHUEKNLABVEM-UHFFFAOYSA-N 1 0 333.388 1.842 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(Cn3cncn3)CC2)c1 ZINC000186231255 442492422 /nfs/dbraw/zinc/49/24/22/442492422.db2.gz WABRIYAMXZBFRK-INIZCTEOSA-N 1 0 331.376 1.632 20 5 EDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000178999047 442548984 /nfs/dbraw/zinc/54/89/84/442548984.db2.gz YYOIRLUAFNRQPZ-GFCCVEGCSA-N 1 0 329.360 1.462 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000191827889 442518815 /nfs/dbraw/zinc/51/88/15/442518815.db2.gz QNOLHCSZMRPZNJ-CYBMUJFWSA-N 1 0 335.408 1.759 20 5 EDBDRO O=C(NCCC[NH+]1CCCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000179992928 442527092 /nfs/dbraw/zinc/52/70/92/442527092.db2.gz YUGKHKYEVAPBNK-UHFFFAOYSA-N 1 0 335.360 1.929 20 5 EDBDRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000178925095 442527699 /nfs/dbraw/zinc/52/76/99/442527699.db2.gz FGLQXGBUPNVLEP-SECBINFHSA-N 1 0 347.824 1.996 20 5 EDBDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000173264840 442634805 /nfs/dbraw/zinc/63/48/05/442634805.db2.gz ZNGUSMPBSWUJEF-VXGBXAGGSA-N 1 0 327.406 1.698 20 5 EDBDRO NC(=O)C1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000192660484 442674299 /nfs/dbraw/zinc/67/42/99/442674299.db2.gz UTFCRKCWGBJPAG-HNNXBMFYSA-N 1 0 333.388 1.844 20 5 EDBDRO CN(C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CC[NH+](C)CC1 ZINC000180813906 442661492 /nfs/dbraw/zinc/66/14/92/442661492.db2.gz PCVZZPOYQQYIGP-INIZCTEOSA-N 1 0 346.387 1.640 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000193266466 442727819 /nfs/dbraw/zinc/72/78/19/442727819.db2.gz IGAMAKNPZXBBLZ-SECBINFHSA-N 1 0 347.368 1.020 20 5 EDBDRO [NH3+][C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C1CC1 ZINC000193313989 442732208 /nfs/dbraw/zinc/73/22/08/442732208.db2.gz ILQIMBUGYCWDBT-LLVKDONJSA-N 1 0 336.373 1.159 20 5 EDBDRO CC[N@@H+](Cc1cnn(C)c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182229153 442747867 /nfs/dbraw/zinc/74/78/67/442747867.db2.gz YWBVLJUMOUVDTO-AWEZNQCLSA-N 1 0 334.376 1.590 20 5 EDBDRO C[NH+]1CCC(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000188465514 442752868 /nfs/dbraw/zinc/75/28/68/442752868.db2.gz NCDBNSSDMRGMAT-UHFFFAOYSA-N 1 0 334.376 1.462 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000265514335 442804077 /nfs/dbraw/zinc/80/40/77/442804077.db2.gz GPUNKCQZHCAXMM-OCCSQVGLSA-N 1 0 336.392 1.676 20 5 EDBDRO Cc1cc(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc([N+](=O)[O-])c1 ZINC000193679201 442766462 /nfs/dbraw/zinc/76/64/62/442766462.db2.gz PPLOECNQZZEXSA-AWEZNQCLSA-N 1 0 348.403 1.363 20 5 EDBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000188954998 442848919 /nfs/dbraw/zinc/84/89/19/442848919.db2.gz CMRFAGKNMHAKSK-UHFFFAOYSA-N 1 0 346.391 1.589 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000268193901 442894035 /nfs/dbraw/zinc/89/40/35/442894035.db2.gz WYHCUOQKUCYXPX-FZMZJTMJSA-N 1 0 339.417 1.664 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000183940146 442976664 /nfs/dbraw/zinc/97/66/64/442976664.db2.gz WZVOGJOKXFASHI-LLVKDONJSA-N 1 0 327.356 1.268 20 5 EDBDRO CC[C@@]1(CO)CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000249551241 442985469 /nfs/dbraw/zinc/98/54/69/442985469.db2.gz HZIQFOSPXDVESW-RHSMWYFYSA-N 1 0 338.404 1.819 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000189792753 443012013 /nfs/dbraw/zinc/01/20/13/443012013.db2.gz WXBWKEMJDSFNSU-UHFFFAOYSA-N 1 0 332.360 1.148 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000266195945 443053532 /nfs/dbraw/zinc/05/35/32/443053532.db2.gz NTMKHZASMGCHPO-IAQYHMDHSA-N 1 0 344.375 1.198 20 5 EDBDRO CN(C(=O)C[NH2+][C@H]1CCCC[C@H]1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000184817892 443080161 /nfs/dbraw/zinc/08/01/61/443080161.db2.gz KMOJMVMBJOFMOS-KGLIPLIRSA-N 1 0 334.376 1.191 20 5 EDBDRO COCC[NH+]1CCC(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255007493 443081283 /nfs/dbraw/zinc/08/12/83/443081283.db2.gz KPIOVNVKEIWDCI-SREVYHEPSA-N 1 0 333.388 1.835 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266442840 443128051 /nfs/dbraw/zinc/12/80/51/443128051.db2.gz AFXZAHBVCRJTFM-UHFFFAOYSA-N 1 0 338.408 1.405 20 5 EDBDRO COc1ccc(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000185234332 443167103 /nfs/dbraw/zinc/16/71/03/443167103.db2.gz RGQABPJRIITCQC-UHFFFAOYSA-N 1 0 343.405 1.318 20 5 EDBDRO CN(C)S(=O)(=O)c1ccc(N2CCC(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000261750266 443167450 /nfs/dbraw/zinc/16/74/50/443167450.db2.gz OTPLHUNLXQOBPC-UHFFFAOYSA-N 1 0 342.421 1.020 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000237329067 443168547 /nfs/dbraw/zinc/16/85/47/443168547.db2.gz QRUJIBQCNWYILS-NEPJUHHUSA-N 1 0 327.406 1.651 20 5 EDBDRO CC(C)C[C@H](CO)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000185335347 443184349 /nfs/dbraw/zinc/18/43/49/443184349.db2.gz IEXKSAKCDXQOEU-OAHLLOKOSA-N 1 0 335.404 1.823 20 5 EDBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000269062417 443186587 /nfs/dbraw/zinc/18/65/87/443186587.db2.gz VEOJSYXXUNLCFV-ZDUSSCGKSA-N 1 0 336.396 1.061 20 5 EDBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000237964141 443190163 /nfs/dbraw/zinc/19/01/63/443190163.db2.gz VFUJHCDYHCWHBO-VIFPVBQESA-N 1 0 328.166 1.921 20 5 EDBDRO [NH3+]CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000237952310 443190169 /nfs/dbraw/zinc/19/01/69/443190169.db2.gz PMKCTYPEMFUYGU-UHFFFAOYSA-N 1 0 332.282 1.221 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000262333998 443191069 /nfs/dbraw/zinc/19/10/69/443191069.db2.gz STIIJYPUEQKGMK-NWDGAFQWSA-N 1 0 327.406 1.569 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000269113732 443202443 /nfs/dbraw/zinc/20/24/43/443202443.db2.gz QYTYGRKCZAIGFD-UHFFFAOYSA-N 1 0 336.392 1.841 20 5 EDBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000269129259 443207527 /nfs/dbraw/zinc/20/75/27/443207527.db2.gz NIAHDYAHEOTTFO-QMMMGPOBSA-N 1 0 328.166 1.791 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1C ZINC000262742210 443210267 /nfs/dbraw/zinc/21/02/67/443210267.db2.gz COPLAIVOCPXHCA-NEPJUHHUSA-N 1 0 327.406 1.488 20 5 EDBDRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000262782366 443212289 /nfs/dbraw/zinc/21/22/89/443212289.db2.gz ZURIBFWAMFFTEB-UHFFFAOYSA-N 1 0 335.813 1.854 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000411354613 319177913 /nfs/dbraw/zinc/17/79/13/319177913.db2.gz JIMSIXHAHABWRX-STQMWFEESA-N 1 0 348.403 1.749 20 5 EDBDRO COCC[C@]1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000411647894 319191796 /nfs/dbraw/zinc/19/17/96/319191796.db2.gz ZCJPLPISDZVWIA-INIZCTEOSA-N 1 0 337.376 1.709 20 5 EDBDRO COCCNC(=O)C1([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000414209042 319320769 /nfs/dbraw/zinc/32/07/69/319320769.db2.gz MFSAQPWLCRTSGA-ZDUSSCGKSA-N 1 0 335.404 1.801 20 5 EDBDRO CC[NH+]1CCC(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000414375627 319325136 /nfs/dbraw/zinc/32/51/36/319325136.db2.gz XTRHQPRSQUMYPK-UHFFFAOYSA-N 1 0 341.433 1.974 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000414648384 319335894 /nfs/dbraw/zinc/33/58/94/319335894.db2.gz BBRNGFXBPDCZGV-CABZTGNLSA-N 1 0 338.364 1.838 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185862626 443271450 /nfs/dbraw/zinc/27/14/50/443271450.db2.gz VRMRHTPZFYVWKK-ZDUSSCGKSA-N 1 0 327.406 1.700 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000264414516 443282923 /nfs/dbraw/zinc/28/29/23/443282923.db2.gz IPFZHASPSKDQTB-LLVKDONJSA-N 1 0 340.811 1.614 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000264488929 443307640 /nfs/dbraw/zinc/30/76/40/443307640.db2.gz IZOFMIOUUYFPDG-CQSZACIVSA-N 1 0 346.387 1.386 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000264492494 443308501 /nfs/dbraw/zinc/30/85/01/443308501.db2.gz JLTNGGIEPZFQQP-JTQLQIEISA-N 1 0 327.768 1.699 20 5 EDBDRO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000282386068 443323245 /nfs/dbraw/zinc/32/32/45/443323245.db2.gz OQVGOIXTTPAVNT-JOYOIKCWSA-N 1 0 338.339 1.319 20 5 EDBDRO Cc1n[nH]c(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)c1[N+](=O)[O-] ZINC000267103580 443342757 /nfs/dbraw/zinc/34/27/57/443342757.db2.gz AJATYFZJIXRCQT-UHFFFAOYSA-N 1 0 344.375 1.416 20 5 EDBDRO COC(=O)C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000269640253 443375977 /nfs/dbraw/zinc/37/59/77/443375977.db2.gz JTAAQBBEPHFIBX-TZMCWYRMSA-N 1 0 338.360 1.362 20 5 EDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000264646601 443360077 /nfs/dbraw/zinc/36/00/77/443360077.db2.gz PNUMAJQMWFJVOV-GFCCVEGCSA-N 1 0 332.404 1.875 20 5 EDBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000272563560 443364910 /nfs/dbraw/zinc/36/49/10/443364910.db2.gz SLHUGCQPPZOPML-LBPRGKRZSA-N 1 0 341.433 1.946 20 5 EDBDRO C[N@H+](CCCN1C(=O)NC(C)(C)C1=O)CCc1cccc([N+](=O)[O-])c1 ZINC000282554014 443372229 /nfs/dbraw/zinc/37/22/29/443372229.db2.gz XMDBWIRMAPLASE-UHFFFAOYSA-N 1 0 348.403 1.790 20 5 EDBDRO CCOC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000286036992 443631564 /nfs/dbraw/zinc/63/15/64/443631564.db2.gz IDXBVYWMJJDMLT-HOCLYGCPSA-N 1 0 326.393 1.985 20 5 EDBDRO C[C@@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1C[NH3+] ZINC000430549608 319933012 /nfs/dbraw/zinc/93/30/12/319933012.db2.gz DYPGQJQHEAWYEQ-MLGOLLRUSA-N 1 0 332.404 1.543 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000432519229 319955553 /nfs/dbraw/zinc/95/55/53/319955553.db2.gz ZRDHJBAAWYVJMN-CMPLNLGQSA-N 1 0 335.360 1.023 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000432526092 319956479 /nfs/dbraw/zinc/95/64/79/319956479.db2.gz LSLYYADZEZEWDT-IAQYHMDHSA-N 1 0 343.387 1.723 20 5 EDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000448765250 320157662 /nfs/dbraw/zinc/15/76/62/320157662.db2.gz XFMGSGBPACQSRJ-CYBMUJFWSA-N 1 0 343.387 1.852 20 5 EDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448974990 320168393 /nfs/dbraw/zinc/16/83/93/320168393.db2.gz FIPJZOLBHAQIAL-LBPRGKRZSA-N 1 0 331.376 1.851 20 5 EDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000449723830 320201937 /nfs/dbraw/zinc/20/19/37/320201937.db2.gz MJFXLEQPSOMYME-RYUDHWBXSA-N 1 0 329.360 1.638 20 5 EDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[N@H+]1CCO ZINC000452397467 320249312 /nfs/dbraw/zinc/24/93/12/320249312.db2.gz ZXYSBGKWZYCVPH-MRXNPFEDSA-N 1 0 335.404 1.490 20 5 EDBDRO COC[C@](C)(O)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453264830 320261581 /nfs/dbraw/zinc/26/15/81/320261581.db2.gz WAYXKFKVTIINKB-VNHYZAJKSA-N 1 0 326.397 1.652 20 5 EDBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc2c(s1)CCC2 ZINC000459627646 320348926 /nfs/dbraw/zinc/34/89/26/320348926.db2.gz BMHHABXVRGURMG-MWLCHTKSSA-N 1 0 337.405 1.448 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000276473029 443718257 /nfs/dbraw/zinc/71/82/57/443718257.db2.gz ZEOCUOGRTHKLNN-ZDUSSCGKSA-N 1 0 335.408 1.579 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000298488949 443781864 /nfs/dbraw/zinc/78/18/64/443781864.db2.gz JMWUHGDJLDTAMG-NHYWBVRUSA-N 1 0 337.376 1.635 20 5 EDBDRO CC(C)(COCc1ccccc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000281371825 443893120 /nfs/dbraw/zinc/89/31/20/443893120.db2.gz LSPXABSASLQDTQ-MRXNPFEDSA-N 1 0 348.403 1.737 20 5 EDBDRO CNC(=O)[C@]1(C)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000281257616 443860993 /nfs/dbraw/zinc/86/09/93/443860993.db2.gz VHYRESYAVYCFSD-QGZVFWFLSA-N 1 0 348.403 1.690 20 5 EDBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000535639692 320715802 /nfs/dbraw/zinc/71/58/02/320715802.db2.gz NGDVJDYXGFQTTE-UHFFFAOYSA-N 1 0 344.371 1.899 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299047905 443937704 /nfs/dbraw/zinc/93/77/04/443937704.db2.gz GIBWLFBMTWPSOB-RYUDHWBXSA-N 1 0 343.380 1.639 20 5 EDBDRO CC(C)(CO)[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000293019154 443904550 /nfs/dbraw/zinc/90/45/50/443904550.db2.gz KJYIEWHRECJTSW-HOCLYGCPSA-N 1 0 338.404 1.721 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000285239976 443908185 /nfs/dbraw/zinc/90/81/85/443908185.db2.gz LEPIZRFDWLOOQJ-CVEARBPZSA-N 1 0 347.415 1.804 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@]2(CO)CCOc3ccccc32)c1 ZINC000281600591 443955640 /nfs/dbraw/zinc/95/56/40/443955640.db2.gz FTRBCBABPGQMDI-WMZOPIPTSA-N 1 0 344.367 1.888 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H](C)OC ZINC000285584970 444037521 /nfs/dbraw/zinc/03/75/21/444037521.db2.gz IKCYRINBXJKWRP-NSHDSACASA-N 1 0 325.365 1.899 20 5 EDBDRO [NH3+]CC[C@H]1CCCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000281947056 444046131 /nfs/dbraw/zinc/04/61/31/444046131.db2.gz LUATUACUDGLXAX-CYBMUJFWSA-N 1 0 348.403 1.302 20 5 EDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000299439228 444046713 /nfs/dbraw/zinc/04/67/13/444046713.db2.gz SSTLUMBURSSECB-AAEUAGOBSA-N 1 0 339.417 1.522 20 5 EDBDRO C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H](C)[N@H+]1C ZINC000293452324 444021262 /nfs/dbraw/zinc/02/12/62/444021262.db2.gz PKLQZFOPJLIYJV-BETUJISGSA-N 1 0 332.404 1.508 20 5 EDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCN2CCSCC2)n1 ZINC000562592542 321065910 /nfs/dbraw/zinc/06/59/10/321065910.db2.gz IQWMUDZQVYCSJL-KGLIPLIRSA-N 1 0 339.465 1.913 20 5 EDBDRO CC(C)C(=O)NCCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566113576 321216772 /nfs/dbraw/zinc/21/67/72/321216772.db2.gz QKQSODVAHKHXMX-UHFFFAOYSA-N 1 0 336.392 1.675 20 5 EDBDRO O=C(CC[NH2+][C@H]1CC(=O)N2CCCC[C@@H]12)Nc1ccccc1[N+](=O)[O-] ZINC000568742037 321304159 /nfs/dbraw/zinc/30/41/59/321304159.db2.gz DXAYZUXBVLVZHI-KBPBESRZSA-N 1 0 346.387 1.666 20 5 EDBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000299690028 444117389 /nfs/dbraw/zinc/11/73/89/444117389.db2.gz ZBVHPFRWRJIONN-CQSZACIVSA-N 1 0 348.447 1.907 20 5 EDBDRO COc1ccc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000285794818 444109714 /nfs/dbraw/zinc/10/97/14/444109714.db2.gz NSDUMYHGPBLWGE-ZFWWWQNUSA-N 1 0 335.360 1.149 20 5 EDBDRO Cc1c(F)cc(S(=O)(=O)N2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000278301369 444132997 /nfs/dbraw/zinc/13/29/97/444132997.db2.gz COYXDDMBROPXRD-PHIMTYICSA-N 1 0 343.380 1.224 20 5 EDBDRO O=c1c([N+](=O)[O-])c(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)nc2ccccn21 ZINC000301077768 444143001 /nfs/dbraw/zinc/14/30/01/444143001.db2.gz JFBJWNIJOCVKOF-RYUDHWBXSA-N 1 0 329.360 1.641 20 5 EDBDRO COC[C@]1(C(=O)OC)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000296273509 444216459 /nfs/dbraw/zinc/21/64/59/444216459.db2.gz MKMFXKVDQLHXLR-INIZCTEOSA-N 1 0 338.360 1.485 20 5 EDBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc([N+](=O)[O-])cc1 ZINC000296707645 444249896 /nfs/dbraw/zinc/24/98/96/444249896.db2.gz LORWEKUWEJILIM-IINYFYTJSA-N 1 0 335.320 1.411 20 5 EDBDRO COC(=O)Cn1cc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000296735108 444251524 /nfs/dbraw/zinc/25/15/24/444251524.db2.gz OIMKEKGWBOSUBK-NSHDSACASA-N 1 0 333.348 1.253 20 5 EDBDRO C[N@@H+]1CCC[C@@H](N2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000305176246 444263090 /nfs/dbraw/zinc/26/30/90/444263090.db2.gz LPSJLJCWGUMNAP-QZTJIDSGSA-N 1 0 348.447 1.340 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000318283410 444318727 /nfs/dbraw/zinc/31/87/27/444318727.db2.gz PPAULSUNSZYSHD-WCQYABFASA-N 1 0 325.390 1.276 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000318926483 444321849 /nfs/dbraw/zinc/32/18/49/444321849.db2.gz OVZLDAXJMACWEH-LBPRGKRZSA-N 1 0 327.406 1.666 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000298122784 444422498 /nfs/dbraw/zinc/42/24/98/444422498.db2.gz MYIJTAAZEDTURG-LBPRGKRZSA-N 1 0 348.403 1.749 20 5 EDBDRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000340615507 444461200 /nfs/dbraw/zinc/46/12/00/444461200.db2.gz DHYJWQMPVOGKOQ-JMPLFQLZSA-N 1 0 346.387 1.569 20 5 EDBDRO O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000580893550 322109242 /nfs/dbraw/zinc/10/92/42/322109242.db2.gz YZBAQRSVKJQCSA-LBPRGKRZSA-N 1 0 342.359 1.141 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCC[C@@H](O)C2)cc1 ZINC000581726571 322214189 /nfs/dbraw/zinc/21/41/89/322214189.db2.gz SXCQAGDXHCOYGL-GXTWGEPZSA-N 1 0 342.417 1.509 20 5 EDBDRO Cc1cc(NCc2ccncc2OCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000341075240 444661084 /nfs/dbraw/zinc/66/10/84/444661084.db2.gz VCJSWIGGGSQINE-UHFFFAOYSA-N 1 0 331.376 2.246 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000344000572 444719791 /nfs/dbraw/zinc/71/97/91/444719791.db2.gz VGWGZTSLEULYMD-QCQGSNGOSA-N 1 0 333.388 1.933 20 5 EDBDRO CC1(C)NC(=O)CC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000338600317 444768678 /nfs/dbraw/zinc/76/86/78/444768678.db2.gz USLGDJHOQJZCRI-CQSZACIVSA-N 1 0 346.387 1.131 20 5 EDBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000341327887 444780136 /nfs/dbraw/zinc/78/01/36/444780136.db2.gz ICZCQMPKHKIIMC-UHFFFAOYSA-N 1 0 325.365 1.807 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000338636093 444785641 /nfs/dbraw/zinc/78/56/41/444785641.db2.gz JEDHNGJUSKGJOW-CYBMUJFWSA-N 1 0 346.387 1.633 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000338726260 444822946 /nfs/dbraw/zinc/82/29/46/444822946.db2.gz WNCSXXBQJXIOSZ-NSHDSACASA-N 1 0 345.396 1.744 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000342760633 444853065 /nfs/dbraw/zinc/85/30/65/444853065.db2.gz ZRKAPAYXQDTDRS-KGLIPLIRSA-N 1 0 346.387 1.937 20 5 EDBDRO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC000344440264 444972750 /nfs/dbraw/zinc/97/27/50/444972750.db2.gz MTGKOTPZEMSGLZ-GFCCVEGCSA-N 1 0 338.383 1.347 20 5 EDBDRO C[NH+](C)CCOc1cccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000337235622 444997562 /nfs/dbraw/zinc/99/75/62/444997562.db2.gz BVANKWDFQDPQCI-UHFFFAOYSA-N 1 0 333.348 1.370 20 5 EDBDRO COc1cc(OCC(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000330598356 445054098 /nfs/dbraw/zinc/05/40/98/445054098.db2.gz SVBALYVUWCYYDG-NWDGAFQWSA-N 1 0 337.376 1.533 20 5 EDBDRO C[C@@H]1[C@@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343533196 445239760 /nfs/dbraw/zinc/23/97/60/445239760.db2.gz MVOPCPQVQPGAKZ-DOMZBBRYSA-N 1 0 348.403 1.314 20 5 EDBDRO COc1cc(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000343516063 445237111 /nfs/dbraw/zinc/23/71/11/445237111.db2.gz KNARYAXHPDIJDN-JQWIXIFHSA-N 1 0 337.376 1.825 20 5 EDBDRO COc1ccc(NC(=O)[C@@H](C)N2CCC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000354503116 445267058 /nfs/dbraw/zinc/26/70/58/445267058.db2.gz POEPNDCVDGGWRH-GFCCVEGCSA-N 1 0 336.392 1.568 20 5 EDBDRO O=C(NC[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000362395335 445358589 /nfs/dbraw/zinc/35/85/89/445358589.db2.gz ISHYCVCCBZGXAJ-CYBMUJFWSA-N 1 0 344.375 1.355 20 5 EDBDRO Cc1c(NC(=O)CCN2CC[C@@H]3C[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000357094443 445424508 /nfs/dbraw/zinc/42/45/08/445424508.db2.gz ZQOHPVDPZKYCAK-ZIAGYGMSSA-N 1 0 332.404 1.773 20 5 EDBDRO CN(C)S(=O)(=O)c1ccc(NCC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000357201247 445478535 /nfs/dbraw/zinc/47/85/35/445478535.db2.gz PCUKWNJNJGCGTK-UHFFFAOYSA-N 1 0 342.421 1.351 20 5 EDBDRO CC[C@H](C)CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000348935433 445448308 /nfs/dbraw/zinc/44/83/08/445448308.db2.gz PPCNAPPPMHFCGP-NSHDSACASA-N 1 0 329.422 1.810 20 5 EDBDRO COc1cc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc([N+](=O)[O-])c1OC ZINC000357179919 445469689 /nfs/dbraw/zinc/46/96/89/445469689.db2.gz BJRNKVOGOYUKOF-AWEZNQCLSA-N 1 0 349.387 1.778 20 5 EDBDRO COC[C@@]1(CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000357268849 445517592 /nfs/dbraw/zinc/51/75/92/445517592.db2.gz MIVSBWVFLNCMPP-HNNXBMFYSA-N 1 0 339.417 1.815 20 5 EDBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000357300716 445535518 /nfs/dbraw/zinc/53/55/18/445535518.db2.gz BQAYSDKYJULROB-ZDUSSCGKSA-N 1 0 347.375 1.370 20 5 EDBDRO COC(=O)C[C@H]1CSCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000355968587 445550263 /nfs/dbraw/zinc/55/02/63/445550263.db2.gz JCDWNYPCNLROPP-ZDUSSCGKSA-N 1 0 340.401 1.954 20 5 EDBDRO C[C@@H]1C[C@@H](Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC[N@@H+]1C ZINC000360114022 445574443 /nfs/dbraw/zinc/57/44/43/445574443.db2.gz TXZANXWIOAIECQ-ZJUUUORDSA-N 1 0 328.394 1.137 20 5 EDBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000349713545 445653339 /nfs/dbraw/zinc/65/33/39/445653339.db2.gz LHBKYQIKAVVRNE-LBPRGKRZSA-N 1 0 338.383 1.490 20 5 EDBDRO O=C(c1ccoc1)N1CCCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000363042219 445658094 /nfs/dbraw/zinc/65/80/94/445658094.db2.gz GZFVMVIXJOCPMX-UHFFFAOYSA-N 1 0 333.348 1.232 20 5 EDBDRO CNC(=O)CN1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000363098319 445676540 /nfs/dbraw/zinc/67/65/40/445676540.db2.gz LAVHSASKWHTMFM-UHFFFAOYSA-N 1 0 349.391 1.189 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c1 ZINC000360324086 445694437 /nfs/dbraw/zinc/69/44/37/445694437.db2.gz SSWYCWOYTQSLKL-GDBMZVCRSA-N 1 0 331.376 1.112 20 5 EDBDRO CC(C)OCC[C@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000349857564 445702067 /nfs/dbraw/zinc/70/20/67/445702067.db2.gz VJXMPULSMPWAFL-HIFRSBDPSA-N 1 0 338.408 1.652 20 5 EDBDRO COCc1nccc([C@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000363172634 445707061 /nfs/dbraw/zinc/70/70/61/445707061.db2.gz QGSREOLWRNCYDZ-ZDUSSCGKSA-N 1 0 346.391 1.607 20 5 EDBDRO C[C@@H](CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])[NH+](C)C ZINC000358679347 445712661 /nfs/dbraw/zinc/71/26/61/445712661.db2.gz BHVPBFQQCOJYGX-JTQLQIEISA-N 1 0 330.410 1.207 20 5 EDBDRO C[N@H+](CCO)C1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000349889224 445713732 /nfs/dbraw/zinc/71/37/32/445713732.db2.gz AMEDHQZEPFWPIM-UHFFFAOYSA-N 1 0 347.375 1.538 20 5 EDBDRO CCOC(=O)c1ccnc(N2CCC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000363241302 445737010 /nfs/dbraw/zinc/73/70/10/445737010.db2.gz GYPGSXMLPOIJFQ-LBPRGKRZSA-N 1 0 334.376 1.841 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000356434064 445788294 /nfs/dbraw/zinc/78/82/94/445788294.db2.gz XNOMWUSEFGMPPL-UHFFFAOYSA-N 1 0 349.366 1.671 20 5 EDBDRO C[C@H]1CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1[NH+](C)C ZINC000358837410 445802866 /nfs/dbraw/zinc/80/28/66/445802866.db2.gz XRFPWSLOVAGVFP-SWLSCSKDSA-N 1 0 348.403 1.775 20 5 EDBDRO COc1c(C(=O)N2CCC([N@H+](C)CCO)CC2)cccc1[N+](=O)[O-] ZINC000356545777 445852414 /nfs/dbraw/zinc/85/24/14/445852414.db2.gz HTADKEYKLPBZDH-UHFFFAOYSA-N 1 0 337.376 1.132 20 5 EDBDRO [NH3+]CCC1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000582308711 325819091 /nfs/dbraw/zinc/81/90/91/325819091.db2.gz VLGNWOXPSWVMJO-UHFFFAOYSA-N 1 0 349.387 1.496 20 5 EDBDRO C[C@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000582580645 325876448 /nfs/dbraw/zinc/87/64/48/325876448.db2.gz VCJHAZQPYIEART-GJZGRUSLSA-N 1 0 347.415 1.879 20 5 EDBDRO COc1cc(C[NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)c([N+](=O)[O-])cc1OC ZINC000369214587 445997473 /nfs/dbraw/zinc/99/74/73/445997473.db2.gz KVMGQQPIQNHLOK-CHWSQXEVSA-N 1 0 349.387 1.855 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000583321381 326050014 /nfs/dbraw/zinc/05/00/14/326050014.db2.gz FGHKQEBGHVCKHI-LLVKDONJSA-N 1 0 325.390 1.484 20 5 EDBDRO C[C@@H](O)CC(C)(C)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000583989773 326178678 /nfs/dbraw/zinc/17/86/78/326178678.db2.gz PPPNYLWRMTUKQM-OCCSQVGLSA-N 1 0 326.393 1.721 20 5 EDBDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000584236562 326226825 /nfs/dbraw/zinc/22/68/25/326226825.db2.gz MSTRGUPIROAGJA-UHFFFAOYSA-N 1 0 346.391 1.317 20 5 EDBDRO CCC[N@H+](C)CC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000359239082 446070186 /nfs/dbraw/zinc/07/01/86/446070186.db2.gz FWILXAJDHVDBDU-UHFFFAOYSA-N 1 0 339.392 1.613 20 5 EDBDRO COc1cc(C[NH2+]C[C@@H]2CCn3ccnc3C2)c([N+](=O)[O-])cc1O ZINC000369346938 446088763 /nfs/dbraw/zinc/08/87/63/446088763.db2.gz DIEOQEIEZIOQKC-LLVKDONJSA-N 1 0 332.360 1.858 20 5 EDBDRO CC[C@@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000351539691 446140577 /nfs/dbraw/zinc/14/05/77/446140577.db2.gz VADQGMHKXMZYMT-KGLIPLIRSA-N 1 0 334.376 1.030 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373237259 446114275 /nfs/dbraw/zinc/11/42/75/446114275.db2.gz PGKJVEMITKXREA-UHFFFAOYSA-N 1 0 344.375 2.014 20 5 EDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359415321 446210266 /nfs/dbraw/zinc/21/02/66/446210266.db2.gz UROLOJWXOXFTOU-CQSZACIVSA-N 1 0 347.318 1.239 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2CCc3nn[nH]c3C2)cccc1[N+](=O)[O-] ZINC000351617906 446211938 /nfs/dbraw/zinc/21/19/38/446211938.db2.gz FEZDKZZQYAMRPV-UHFFFAOYSA-N 1 0 330.348 1.408 20 5 EDBDRO COc1ccc(OCC[N@H+](C)[C@@]2(CO)CCOC2)c([N+](=O)[O-])c1 ZINC000359577109 446300858 /nfs/dbraw/zinc/30/08/58/446300858.db2.gz GHYLISCGKDMXMU-OAHLLOKOSA-N 1 0 326.349 1.065 20 5 EDBDRO COC[C@@](C)([NH3+])CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000362349169 446329775 /nfs/dbraw/zinc/32/97/75/446329775.db2.gz RURSQDXWPLIBER-INIZCTEOSA-N 1 0 334.351 2.572 20 5 EDBDRO C[NH+](C)C[C@](C)(O)CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000362365306 446336310 /nfs/dbraw/zinc/33/63/10/446336310.db2.gz MWGOQXMQPPRNKQ-QGZVFWFLSA-N 1 0 348.378 2.520 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)c1 ZINC000376114732 446341429 /nfs/dbraw/zinc/34/14/29/446341429.db2.gz JZPVNOSDKJNGTA-UHFFFAOYSA-N 1 0 325.390 1.500 20 5 EDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000374071184 446350349 /nfs/dbraw/zinc/35/03/49/446350349.db2.gz YCLQEYNJULMRSU-LZWOXQAQSA-N 1 0 336.388 1.835 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC2(C1)CC[NH2+]CC2 ZINC000374512090 446372914 /nfs/dbraw/zinc/37/29/14/446372914.db2.gz AQKOWCRZPUNYMD-UHFFFAOYSA-N 1 0 347.371 1.582 20 5 EDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH2+]CCO2)nc1-c1ccc(F)cc1 ZINC000420272499 446443214 /nfs/dbraw/zinc/44/32/14/446443214.db2.gz CMQPLZYOOBWZNI-ZDUSSCGKSA-N 1 0 332.335 2.196 20 5 EDBDRO CCOc1cc(N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)ccc1[N+](=O)[O-] ZINC000420280914 446448570 /nfs/dbraw/zinc/44/85/70/446448570.db2.gz LSKFVUWIYRYMOV-CQSZACIVSA-N 1 0 346.391 1.885 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000417990142 446408704 /nfs/dbraw/zinc/40/87/04/446408704.db2.gz MCYBDFFMHHIXAC-GFCCVEGCSA-N 1 0 342.783 1.160 20 5 EDBDRO [NH3+]C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000420383110 446559213 /nfs/dbraw/zinc/55/92/13/446559213.db2.gz FATLFLNEENMECH-NSHDSACASA-N 1 0 342.783 1.236 20 5 EDBDRO CC[C@@](C)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(N)=O ZINC000411396056 446518044 /nfs/dbraw/zinc/51/80/44/446518044.db2.gz WLNVQWKARJMQPU-OAHLLOKOSA-N 1 0 338.364 1.176 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000376481770 446524507 /nfs/dbraw/zinc/52/45/07/446524507.db2.gz MHZJWMDSZKXJAV-UONOGXRCSA-N 1 0 346.387 1.585 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000375041452 446535246 /nfs/dbraw/zinc/53/52/46/446535246.db2.gz QJNBUUVVAWARIF-CZUORRHYSA-N 1 0 332.404 1.949 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC[NH2+]1 ZINC000418616127 446617402 /nfs/dbraw/zinc/61/74/02/446617402.db2.gz YKJFLDBYQLXOPI-VXGBXAGGSA-N 1 0 334.376 1.508 20 5 EDBDRO CC[NH2+]CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420413478 446586106 /nfs/dbraw/zinc/58/61/06/446586106.db2.gz FEQQZXSKCGYVBC-UHFFFAOYSA-N 1 0 341.311 1.501 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000420442974 446619326 /nfs/dbraw/zinc/61/93/26/446619326.db2.gz XYOCZXUDSHILTO-TXEJJXNPSA-N 1 0 325.390 1.052 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000420443395 446619474 /nfs/dbraw/zinc/61/94/74/446619474.db2.gz LBFXCGAHVNGJDF-GFCCVEGCSA-N 1 0 327.406 1.714 20 5 EDBDRO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420426159 446600500 /nfs/dbraw/zinc/60/05/00/446600500.db2.gz JMZVWXBADNGGGB-SSDOTTSWSA-N 1 0 341.311 1.500 20 5 EDBDRO C[C@@H]1OCC[C@@H]1[N@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411665967 446638609 /nfs/dbraw/zinc/63/86/09/446638609.db2.gz UIFYHPAEJZBSIY-WFASDCNBSA-N 1 0 337.376 1.395 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CC[NH3+])C(F)F ZINC000420462975 446641925 /nfs/dbraw/zinc/64/19/25/446641925.db2.gz NKWNUKYZBFRWNY-JTQLQIEISA-N 1 0 337.348 1.418 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000423690940 446643816 /nfs/dbraw/zinc/64/38/16/446643816.db2.gz ZGZLABSEYBKSIJ-RISCZKNCSA-N 1 0 348.403 1.219 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000420484215 446652474 /nfs/dbraw/zinc/65/24/74/446652474.db2.gz XOHVGWRJWKCGJD-CMPLNLGQSA-N 1 0 327.406 1.509 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2C[NH2+]CCC2(F)F)c1[N+](=O)[O-] ZINC000420446550 446622560 /nfs/dbraw/zinc/62/25/60/446622560.db2.gz OTRVBUYBHWZKFS-SNVBAGLBSA-N 1 0 349.359 1.487 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420452555 446627793 /nfs/dbraw/zinc/62/77/93/446627793.db2.gz SUJBOWFVZLPUOO-CMPLNLGQSA-N 1 0 327.406 1.563 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc1SC ZINC000423664590 446632327 /nfs/dbraw/zinc/63/23/27/446632327.db2.gz IQMHJVVKLRHSSC-PSASIEDQSA-N 1 0 325.390 1.887 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000420454683 446632727 /nfs/dbraw/zinc/63/27/27/446632727.db2.gz WOADPPBRQURPLE-BDAKNGLRSA-N 1 0 333.797 1.654 20 5 EDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000420457616 446635330 /nfs/dbraw/zinc/63/53/30/446635330.db2.gz BGVSJJRPUPNRDI-QLHKPRNWSA-N 1 0 325.390 1.389 20 5 EDBDRO CCN1CC[NH+](C[C@@H](C)CNc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420579684 446687650 /nfs/dbraw/zinc/68/76/50/446687650.db2.gz BLPMQKZOBMXMNL-ZDUSSCGKSA-N 1 0 349.435 1.379 20 5 EDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418778343 446695694 /nfs/dbraw/zinc/69/56/94/446695694.db2.gz INMPDEXQXLXWQZ-AAEUAGOBSA-N 1 0 336.392 1.262 20 5 EDBDRO C[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000418777131 446695791 /nfs/dbraw/zinc/69/57/91/446695791.db2.gz HATHHBIJAKIBID-ABAIWWIYSA-N 1 0 348.403 1.406 20 5 EDBDRO C[C@H](NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000418778941 446698061 /nfs/dbraw/zinc/69/80/61/446698061.db2.gz JIDBVDPRBUTXRR-STQMWFEESA-N 1 0 348.403 1.359 20 5 EDBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3c[nH]c4nccnc34)C2)c1 ZINC000368227401 446722288 /nfs/dbraw/zinc/72/22/88/446722288.db2.gz QTJPBOPWCVLRSC-LBPRGKRZSA-N 1 0 327.348 1.851 20 5 EDBDRO O=C(NC[C@H]1CCC[N@@H+]1CCc1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000371301036 446756454 /nfs/dbraw/zinc/75/64/54/446756454.db2.gz CUFDOLGKYZVUIV-CQSZACIVSA-N 1 0 343.387 1.755 20 5 EDBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](C[C@@H](O)COc3ccccc3)C2)c1 ZINC000375389428 446764166 /nfs/dbraw/zinc/76/41/66/446764166.db2.gz GKTZAUQHJGWDKD-GOEBONIOSA-N 1 0 346.387 1.868 20 5 EDBDRO O=C(NCC[N@@H+]1CCCOCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000437912157 446772742 /nfs/dbraw/zinc/77/27/42/446772742.db2.gz BFDLCQKFVGAPBE-UHFFFAOYSA-N 1 0 326.328 1.578 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411981685 446773446 /nfs/dbraw/zinc/77/34/46/446773446.db2.gz ORWBPKOOUOTIFE-YESZJQIVSA-N 1 0 347.415 1.925 20 5 EDBDRO O=C(CC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)NC1CCCC1 ZINC000375405626 446778041 /nfs/dbraw/zinc/77/80/41/446778041.db2.gz RUBAQACVPXYXFS-CQSZACIVSA-N 1 0 335.408 1.877 20 5 EDBDRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000371368087 446811019 /nfs/dbraw/zinc/81/10/19/446811019.db2.gz FCHZERZDVPOIEW-KRWDZBQOSA-N 1 0 344.415 1.476 20 5 EDBDRO CC(C)[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CCC(=O)N1 ZINC000412069061 446831032 /nfs/dbraw/zinc/83/10/32/446831032.db2.gz GJCVXPLIIJRZFL-AWEZNQCLSA-N 1 0 349.387 1.950 20 5 EDBDRO CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000368426772 446855501 /nfs/dbraw/zinc/85/55/01/446855501.db2.gz YFYHFIQCVOGIJH-NSHDSACASA-N 1 0 325.340 1.713 20 5 EDBDRO CC[N@H+](CCOc1ccccc1C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000420970576 446941645 /nfs/dbraw/zinc/94/16/45/446941645.db2.gz FWLJICGOTFBBBR-MRXNPFEDSA-N 1 0 348.403 1.862 20 5 EDBDRO C[C@@H]1C[C@H]([NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000420974039 446945879 /nfs/dbraw/zinc/94/58/79/446945879.db2.gz NZXDLSUPIOSEMH-ZIAGYGMSSA-N 1 0 333.388 1.920 20 5 EDBDRO C[C@@H](NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000419154562 446971431 /nfs/dbraw/zinc/97/14/31/446971431.db2.gz RRWAOCKRYMEPCB-SJKOYZFVSA-N 1 0 348.403 1.278 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000419272519 447047740 /nfs/dbraw/zinc/04/77/40/447047740.db2.gz PWMKHQIBLJZDDT-TZMCWYRMSA-N 1 0 348.403 1.420 20 5 EDBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000443310165 447031765 /nfs/dbraw/zinc/03/17/65/447031765.db2.gz ODXKHTHSBDIFEG-HOSILWTGSA-N 1 0 338.404 1.816 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000421295136 447108354 /nfs/dbraw/zinc/10/83/54/447108354.db2.gz HQVXCSOVHVOUFR-GFCCVEGCSA-N 1 0 338.339 1.225 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CC(Cc3ccc(F)cc3)C2)c1 ZINC000375851136 447099623 /nfs/dbraw/zinc/09/96/23/447099623.db2.gz UCOUYWIQKWRHHQ-INIZCTEOSA-N 1 0 334.351 1.466 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CCC[C@@H]32)cc1 ZINC000376012817 447209058 /nfs/dbraw/zinc/20/90/58/447209058.db2.gz FGNMGKHRBCUVIC-DOMZBBRYSA-N 1 0 339.417 1.748 20 5 EDBDRO CN(C(=O)CN1CC[C@H](c2nnc[nH]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000425547998 447223540 /nfs/dbraw/zinc/22/35/40/447223540.db2.gz MVOKZFCJFLTTET-NSHDSACASA-N 1 0 330.348 1.165 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425547971 447224462 /nfs/dbraw/zinc/22/44/62/447224462.db2.gz MSNVULNPGPDSIM-GFCCVEGCSA-N 1 0 344.375 1.839 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC000421707738 447227225 /nfs/dbraw/zinc/22/72/25/447227225.db2.gz YFVLHPHTIYYTLV-CQSZACIVSA-N 1 0 349.387 1.938 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000377660088 447278003 /nfs/dbraw/zinc/27/80/03/447278003.db2.gz SVFJAOQTTCKBEN-CZUORRHYSA-N 1 0 335.404 1.898 20 5 EDBDRO CNc1nc(C(=O)NC2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000455995821 447280956 /nfs/dbraw/zinc/28/09/56/447280956.db2.gz MZEJEGMIVLIWMW-UHFFFAOYSA-N 1 0 335.408 1.882 20 5 EDBDRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000415481169 447471381 /nfs/dbraw/zinc/47/13/81/447471381.db2.gz VCUQXSLREIOFRO-UHFFFAOYSA-N 1 0 334.376 1.381 20 5 EDBDRO CCOc1cc(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000457356291 447564735 /nfs/dbraw/zinc/56/47/35/447564735.db2.gz DAGPJTLVNXQLOV-ZYHUDNBSSA-N 1 0 337.376 1.954 20 5 EDBDRO Cn1ccnc1C(=O)c1ccc(N[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420182749 447659376 /nfs/dbraw/zinc/65/93/76/447659376.db2.gz KJOAVGOCFYAHDS-LBPRGKRZSA-N 1 0 329.360 1.723 20 5 EDBDRO C[C@H]1CN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000429140473 447730171 /nfs/dbraw/zinc/73/01/71/447730171.db2.gz HHLGOZZBFLVCIF-NHYWBVRUSA-N 1 0 343.387 1.805 20 5 EDBDRO CC1(C)CCC[N@@H+]1CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000452085915 447814237 /nfs/dbraw/zinc/81/42/37/447814237.db2.gz KWUUAHFACZBBHP-UHFFFAOYSA-N 1 0 341.433 1.889 20 5 EDBDRO CCO[C@@H]1COC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000451932503 447789322 /nfs/dbraw/zinc/78/93/22/447789322.db2.gz CVOIVLPFWBBSQA-HUUCEWRRSA-N 1 0 337.376 1.625 20 5 EDBDRO C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]1 ZINC000423037910 447796246 /nfs/dbraw/zinc/79/62/46/447796246.db2.gz NNFDBNPHWGKAKU-SMDDNHRTSA-N 1 0 327.406 1.099 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C[C@H]2CCSC2)cc1 ZINC000486928664 447826547 /nfs/dbraw/zinc/82/65/47/447826547.db2.gz BGCHOAAYMOUQPQ-LLVKDONJSA-N 1 0 345.446 1.216 20 5 EDBDRO C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000525275483 447986450 /nfs/dbraw/zinc/98/64/50/447986450.db2.gz QFDZXOCMPIJFGX-AWEZNQCLSA-N 1 0 348.359 1.055 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000570223044 447967588 /nfs/dbraw/zinc/96/75/88/447967588.db2.gz LAHZTQCXFFPNIL-CUOATXAZSA-N 1 0 337.376 1.679 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000571411228 448149256 /nfs/dbraw/zinc/14/92/56/448149256.db2.gz VZJZIGHYLMGCTI-VXGBXAGGSA-N 1 0 327.406 1.588 20 5 EDBDRO O=c1[nH]c(NC[C@@H]2CC[N@@H+](C3CC3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000557521037 448184785 /nfs/dbraw/zinc/18/47/85/448184785.db2.gz MCXWDBUPFRBCGU-JTQLQIEISA-N 1 0 329.360 2.140 20 5 EDBDRO C[C@@H](NC(=O)c1cn(CCCC[NH3+])nn1)c1cccc([N+](=O)[O-])c1 ZINC000576982868 448185392 /nfs/dbraw/zinc/18/53/92/448185392.db2.gz AIAVZJSILMZYRX-LLVKDONJSA-N 1 0 332.364 1.416 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(c3cccc(F)c3)CC2)c1 ZINC000577054677 448200656 /nfs/dbraw/zinc/20/06/56/448200656.db2.gz CYNBYTLJWJKGPP-OAHLLOKOSA-N 1 0 334.351 1.613 20 5 EDBDRO COc1ccc(CC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000571915725 448235166 /nfs/dbraw/zinc/23/51/66/448235166.db2.gz XJFLDGNZDFKNOK-QGZVFWFLSA-N 1 0 333.388 1.748 20 5 EDBDRO CN(c1ncc([N+](=O)[O-])cc1F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000591147027 448272440 /nfs/dbraw/zinc/27/24/40/448272440.db2.gz BTELLABTCKOESJ-CYBMUJFWSA-N 1 0 337.399 1.734 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591292440 448309997 /nfs/dbraw/zinc/30/99/97/448309997.db2.gz PGYJVDFEEZVXSX-GFCCVEGCSA-N 1 0 334.376 1.408 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591448939 448366701 /nfs/dbraw/zinc/36/67/01/448366701.db2.gz RCIBXWNKVOTPEL-DOMZBBRYSA-N 1 0 348.403 1.616 20 5 EDBDRO [NH3+][C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@H]1c1ccccc1F ZINC000516288420 448408810 /nfs/dbraw/zinc/40/88/10/448408810.db2.gz CPXYCIWQWJNLKI-GXTWGEPZSA-N 1 0 346.318 1.401 20 5 EDBDRO COc1c(N)ncnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000572422996 448374786 /nfs/dbraw/zinc/37/47/86/448374786.db2.gz OCVKRLRAZUILPC-UHFFFAOYSA-N 1 0 330.348 1.302 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N(C1CC1)C1CC[NH2+]CC1 ZINC000591680786 448448672 /nfs/dbraw/zinc/44/86/72/448448672.db2.gz HUIZHEKEAKPVAY-UHFFFAOYSA-N 1 0 333.344 1.680 20 5 EDBDRO C[NH2+]CCSCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000578320270 448515063 /nfs/dbraw/zinc/51/50/63/448515063.db2.gz LFLFSPYWEAKRGU-UHFFFAOYSA-N 1 0 341.389 1.647 20 5 EDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000517029872 448527421 /nfs/dbraw/zinc/52/74/21/448527421.db2.gz HERAXKFKCJSYAR-OAHLLOKOSA-N 1 0 339.417 1.500 20 5 EDBDRO C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000536824287 448544797 /nfs/dbraw/zinc/54/47/97/448544797.db2.gz AWYRXDVYCPDABO-NSHDSACASA-N 1 0 329.422 1.963 20 5 EDBDRO CNc1ccc(C(=O)Nc2ccnn2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000584489382 448547015 /nfs/dbraw/zinc/54/70/15/448547015.db2.gz FCLXBMLKMHHOAV-UHFFFAOYSA-N 1 0 332.364 1.647 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000591992129 448614242 /nfs/dbraw/zinc/61/42/42/448614242.db2.gz OZKZQZHDGQBUQJ-UHFFFAOYSA-N 1 0 349.387 1.682 20 5 EDBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CCCC1 ZINC000517833170 448622111 /nfs/dbraw/zinc/62/21/11/448622111.db2.gz RFMFZUUOWHTRDE-UHFFFAOYSA-N 1 0 349.387 1.970 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000517420138 448581771 /nfs/dbraw/zinc/58/17/71/448581771.db2.gz ICQSHOKYMIRWKO-UHFFFAOYSA-N 1 0 343.387 1.723 20 5 EDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573740077 448701427 /nfs/dbraw/zinc/70/14/27/448701427.db2.gz FACHBIXHEXMECV-WCQYABFASA-N 1 0 334.376 1.053 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592254623 448763726 /nfs/dbraw/zinc/76/37/26/448763726.db2.gz JBWHFJOTUXXFDI-KGLIPLIRSA-N 1 0 335.408 1.420 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592255146 448764495 /nfs/dbraw/zinc/76/44/95/448764495.db2.gz MZSWNYWLWWTBTQ-VXGBXAGGSA-N 1 0 334.376 1.547 20 5 EDBDRO COc1cc(CN2CCOC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000592185537 448727174 /nfs/dbraw/zinc/72/71/74/448727174.db2.gz XBITUWYKCUCTDA-UHFFFAOYSA-N 1 0 335.404 1.900 20 5 EDBDRO CS(=O)(=O)c1cc(-c2nc([C@H]3CCC[NH2+]3)no2)cc([N+](=O)[O-])c1 ZINC000592356770 448804266 /nfs/dbraw/zinc/80/42/66/448804266.db2.gz IWPXWHZQAKJVQR-LLVKDONJSA-N 1 0 338.345 1.473 20 5 EDBDRO CC(C)[C@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000592380993 448813903 /nfs/dbraw/zinc/81/39/03/448813903.db2.gz YEKKNLUZWOOAGW-OAHLLOKOSA-N 1 0 341.433 1.397 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCO1 ZINC000592310635 448787180 /nfs/dbraw/zinc/78/71/80/448787180.db2.gz WTVNMMIKYYUJRD-CABZTGNLSA-N 1 0 335.385 1.998 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000592310774 448787363 /nfs/dbraw/zinc/78/73/63/448787363.db2.gz YPOPYUMLHDCITR-LKFCYVNXSA-N 1 0 346.343 1.037 20 5 EDBDRO CC[C@@H]1CN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC[C@H]1[NH3+] ZINC000592331312 448794583 /nfs/dbraw/zinc/79/45/83/448794583.db2.gz HYHRCSAUYMGOCB-TZMCWYRMSA-N 1 0 348.403 1.219 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592428807 448831732 /nfs/dbraw/zinc/83/17/32/448831732.db2.gz VOJXPKBVVIKDIH-WBMJQRKESA-N 1 0 345.403 1.543 20 5 EDBDRO CC[NH+]1CCC(Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1 ZINC000587036267 448833728 /nfs/dbraw/zinc/83/37/28/448833728.db2.gz SUQDLNDIXDJAOX-UHFFFAOYSA-N 1 0 333.392 1.681 20 5 EDBDRO Cn1c2cc(NC[C@@H]3CCC[N@H+](C)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000587973676 448849584 /nfs/dbraw/zinc/84/95/84/448849584.db2.gz LNRSGLGLDHCYGM-NSHDSACASA-N 1 0 333.392 1.539 20 5 EDBDRO C[C@@H](C(=O)NCCC[N@H+](C)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000589057202 448963320 /nfs/dbraw/zinc/96/33/20/448963320.db2.gz WATAVZMZRBHCMW-CQSZACIVSA-N 1 0 336.436 1.698 20 5 EDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588864068 448942785 /nfs/dbraw/zinc/94/27/85/448942785.db2.gz ZYSUEAJYXOVWFL-CVEARBPZSA-N 1 0 333.388 1.195 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@@H]2CC(N)=O)c1 ZINC000589497559 449025969 /nfs/dbraw/zinc/02/59/69/449025969.db2.gz LPIHILMNEPYVTE-CYBMUJFWSA-N 1 0 335.360 1.611 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCN(C2CCCC2)C1 ZINC000582355356 449072648 /nfs/dbraw/zinc/07/26/48/449072648.db2.gz HTQCZDILJMDVFB-GOEBONIOSA-N 1 0 349.431 1.941 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000592898297 449042865 /nfs/dbraw/zinc/04/28/65/449042865.db2.gz FCKYOEKAUCJLAM-UHFFFAOYSA-N 1 0 349.387 1.540 20 5 EDBDRO C[NH+]1CCC2(CC1)CN(C(=O)CNc1ccccc1[N+](=O)[O-])CCO2 ZINC000592898285 449042959 /nfs/dbraw/zinc/04/29/59/449042959.db2.gz DNNHHUPVNXDKNU-UHFFFAOYSA-N 1 0 348.403 1.330 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000522106880 449050842 /nfs/dbraw/zinc/05/08/42/449050842.db2.gz JGCCGGGQNCNZRH-NSHDSACASA-N 1 0 342.421 1.384 20 5 EDBDRO CCOc1cc(C(=O)N2CCC3(C[NH+](C)C3)C2)c([N+](=O)[O-])cc1OC ZINC000590335439 449133738 /nfs/dbraw/zinc/13/37/38/449133738.db2.gz HXJXHEBCZJEVGL-UHFFFAOYSA-N 1 0 349.387 1.780 20 5 EDBDRO C[C@]1(c2cccc(F)c2)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000593046604 449112574 /nfs/dbraw/zinc/11/25/74/449112574.db2.gz PPFZWJDYTLSWBU-SJORKVTESA-N 1 0 348.378 1.955 20 5 EDBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599938616 449116770 /nfs/dbraw/zinc/11/67/70/449116770.db2.gz QWQXNHQTPAQDOF-KGLIPLIRSA-N 1 0 345.355 1.622 20 5 EDBDRO CCOc1cc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])cc1OC ZINC000590440681 449161207 /nfs/dbraw/zinc/16/12/07/449161207.db2.gz ARBWJXDIURLKNM-SMDDNHRTSA-N 1 0 349.387 1.778 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+][C@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000595784339 449163441 /nfs/dbraw/zinc/16/34/41/449163441.db2.gz UZUDQIWJJPCKLN-KBPBESRZSA-N 1 0 335.360 1.435 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H]1COCCO1 ZINC000595736586 449138576 /nfs/dbraw/zinc/13/85/76/449138576.db2.gz MTOKGGSYEYWVCU-AWEZNQCLSA-N 1 0 337.376 1.579 20 5 EDBDRO COc1ccc(OCC[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595741435 449141773 /nfs/dbraw/zinc/14/17/73/449141773.db2.gz NWLKPZVIXNADSL-GXTWGEPZSA-N 1 0 349.387 1.583 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@@]1(O)CCOC1 ZINC000593671788 449141954 /nfs/dbraw/zinc/14/19/54/449141954.db2.gz TZTSMRRNHNLYNB-MLGOLLRUSA-N 1 0 337.376 1.443 20 5 EDBDRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000590398804 449147170 /nfs/dbraw/zinc/14/71/70/449147170.db2.gz ALQYRPYICSMIEH-JKSUJKDBSA-N 1 0 349.387 1.295 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@](O)(C3CC3)C2)c1 ZINC000595753294 449148399 /nfs/dbraw/zinc/14/83/99/449148399.db2.gz YLHHTXRUQFPNPL-WBVHZDCISA-N 1 0 336.388 1.571 20 5 EDBDRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000590400538 449148614 /nfs/dbraw/zinc/14/86/14/449148614.db2.gz WADKIRSAYKUDFE-JKSUJKDBSA-N 1 0 333.388 1.459 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000595759000 449151462 /nfs/dbraw/zinc/15/14/62/449151462.db2.gz OKISOHPXZLEQMF-SJKOYZFVSA-N 1 0 349.387 1.900 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000593767340 449188131 /nfs/dbraw/zinc/18/81/31/449188131.db2.gz PMPOSKUDEIHUBA-SJCJKPOMSA-N 1 0 346.387 1.429 20 5 EDBDRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000590563996 449193880 /nfs/dbraw/zinc/19/38/80/449193880.db2.gz BJZFLWRDZHWMCF-JKSUJKDBSA-N 1 0 333.388 1.459 20 5 EDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000590566699 449195110 /nfs/dbraw/zinc/19/51/10/449195110.db2.gz QKSVJVWSSQAOFV-TZMCWYRMSA-N 1 0 343.387 1.945 20 5 EDBDRO C[N@@H+]1CCC[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000590631906 449229244 /nfs/dbraw/zinc/22/92/44/449229244.db2.gz HGGNVMYSMCOKFB-LBPRGKRZSA-N 1 0 329.360 1.809 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595906269 449245038 /nfs/dbraw/zinc/24/50/38/449245038.db2.gz IOTZKWVNSPGUIU-VXGBXAGGSA-N 1 0 340.355 1.303 20 5 EDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000595924914 449256850 /nfs/dbraw/zinc/25/68/50/449256850.db2.gz JJINPWCZNRUJNE-ZDUSSCGKSA-N 1 0 344.375 1.431 20 5 EDBDRO [NH3+]C1(CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000595941397 449269769 /nfs/dbraw/zinc/26/97/69/449269769.db2.gz OGMACFIXXSJPAY-UHFFFAOYSA-N 1 0 334.376 1.102 20 5 EDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000590752385 449271864 /nfs/dbraw/zinc/27/18/64/449271864.db2.gz MLFDUVZOXXFNHS-GDLCADMTSA-N 1 0 335.360 1.853 20 5 EDBDRO O=C(C[N@H+]1CCCCC[C@@H]1CO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000594016846 449323994 /nfs/dbraw/zinc/32/39/94/449323994.db2.gz LKZODWKUHWUGAP-OAHLLOKOSA-N 1 0 333.388 1.721 20 5 EDBDRO COC(=O)COc1ccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000602021609 449279357 /nfs/dbraw/zinc/27/93/57/449279357.db2.gz QFFMVBOVEPUXKK-BETUJISGSA-N 1 0 335.360 1.083 20 5 EDBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)C1 ZINC000593911995 449280853 /nfs/dbraw/zinc/28/08/53/449280853.db2.gz LRRULESSYXVMCO-ZENOOKHLSA-N 1 0 333.388 1.953 20 5 EDBDRO NS(=O)(=O)c1ccc(NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000596061048 449341412 /nfs/dbraw/zinc/34/14/12/449341412.db2.gz AJAVXQCARZJEIG-UHFFFAOYSA-N 1 0 342.421 1.530 20 5 EDBDRO CC(C)[C@H](O)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000596065219 449344237 /nfs/dbraw/zinc/34/42/37/449344237.db2.gz GWZBGZRPEKSTFC-BBWFWOEESA-N 1 0 348.403 1.500 20 5 EDBDRO Cn1cc(CNCC23CC(C2)C[NH2+]3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596109004 449365796 /nfs/dbraw/zinc/36/57/96/449365796.db2.gz RQFSQMUSKWPFTC-UHFFFAOYSA-N 1 0 327.388 1.837 20 5 EDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H](O)C[NH+]1CCCCC1 ZINC000593537227 449332178 /nfs/dbraw/zinc/33/21/78/449332178.db2.gz GCJBFXSORLYFTQ-AWEZNQCLSA-N 1 0 339.367 1.239 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000596051315 449337525 /nfs/dbraw/zinc/33/75/25/449337525.db2.gz MSAZXIIHELOKHI-SNVBAGLBSA-N 1 0 341.311 1.413 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000598452515 449402448 /nfs/dbraw/zinc/40/24/48/449402448.db2.gz LHQNXZCCUWRFFJ-CYBMUJFWSA-N 1 0 349.387 1.275 20 5 EDBDRO Cc1c(CC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cccc1[N+](=O)[O-] ZINC000598452483 449402558 /nfs/dbraw/zinc/40/25/58/449402558.db2.gz KCNSVESYUSHNKY-MRXNPFEDSA-N 1 0 347.415 1.503 20 5 EDBDRO Cc1cccc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598453183 449403767 /nfs/dbraw/zinc/40/37/67/449403767.db2.gz PRRVIDKUUYRDPE-CQSZACIVSA-N 1 0 333.388 1.574 20 5 EDBDRO Cc1ccc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000598454658 449404088 /nfs/dbraw/zinc/40/40/88/449404088.db2.gz XRDTYOKVAPRABJ-HNNXBMFYSA-N 1 0 333.388 1.574 20 5 EDBDRO Nc1ccc(N2CCC(OCC[NH+]3CCCC3)CC2)nc1[N+](=O)[O-] ZINC000596145256 449384361 /nfs/dbraw/zinc/38/43/61/449384361.db2.gz NEILIMQYZOUAGM-UHFFFAOYSA-N 1 0 335.408 1.653 20 5 EDBDRO O=[N+]([O-])c1c(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ncnc1N1CCOCC1 ZINC000598590575 449480077 /nfs/dbraw/zinc/48/00/77/449480077.db2.gz PACICIUKIINXQN-OLZOCXBDSA-N 1 0 348.407 1.260 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000598600009 449484774 /nfs/dbraw/zinc/48/47/74/449484774.db2.gz LYYMGYNRVXVTNS-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO [NH3+][C@]12CCC[C@H]1CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000598680397 449537862 /nfs/dbraw/zinc/53/78/62/449537862.db2.gz AQHYMJSMKLSPBO-WFASDCNBSA-N 1 0 339.417 1.182 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H](C)c2nccn2C)c(C)c1[N+](=O)[O-] ZINC000598619416 449496878 /nfs/dbraw/zinc/49/68/78/449496878.db2.gz ROSYEUXDVUWQRS-LLVKDONJSA-N 1 0 338.389 1.985 20 5 EDBDRO C[NH2+]CCOCCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000600712484 449510782 /nfs/dbraw/zinc/51/07/82/449510782.db2.gz XDLFTLREVHQIIM-HNNXBMFYSA-N 1 0 333.392 1.243 20 5 EDBDRO CC1(C)Cc2n[nH]cc2C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000596597666 449567795 /nfs/dbraw/zinc/56/77/95/449567795.db2.gz WTAFQZGEYVZKHU-UHFFFAOYSA-N 1 0 331.376 1.564 20 5 EDBDRO CC1(C)C[NH2+]CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000602431782 449581471 /nfs/dbraw/zinc/58/14/71/449581471.db2.gz FXRLCBZRQKFTBQ-UHFFFAOYSA-N 1 0 347.350 1.744 20 5 EDBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000600808448 449555944 /nfs/dbraw/zinc/55/59/44/449555944.db2.gz OQTHBUSEBBFXPA-JTQLQIEISA-N 1 0 347.293 1.410 20 5 EDBDRO C[NH+](C)CCC[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCO1 ZINC000596568719 449556169 /nfs/dbraw/zinc/55/61/69/449556169.db2.gz UGXAIOFHZVGQBM-LBPRGKRZSA-N 1 0 334.380 1.185 20 5 EDBDRO CC[C@@H]1[C@@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[N@@H+]1C ZINC000600939934 449602883 /nfs/dbraw/zinc/60/28/83/449602883.db2.gz LNSQPHKMKPOCSX-LSDHHAIUSA-N 1 0 346.431 1.974 20 5 EDBDRO CSC[C@](C)(O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602551175 449669359 /nfs/dbraw/zinc/66/93/59/449669359.db2.gz NAPSLATXFVHIFM-OAHLLOKOSA-N 1 0 340.449 1.662 20 5 EDBDRO Cn1nnnc1CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602584230 449686598 /nfs/dbraw/zinc/68/65/98/449686598.db2.gz YQVQKQZOSJRYKF-UHFFFAOYSA-N 1 0 330.270 1.469 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC12CCOCC2 ZINC000602496923 449632184 /nfs/dbraw/zinc/63/21/84/449632184.db2.gz PGVWRVMSTQZBHH-NSHDSACASA-N 1 0 337.351 1.561 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCn3ccnc3)CC2)cn1 ZINC000602504301 449636628 /nfs/dbraw/zinc/63/66/28/449636628.db2.gz OVJYBKAPQQEABL-UHFFFAOYSA-N 1 0 330.392 1.835 20 5 EDBDRO CO[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000594718002 449644779 /nfs/dbraw/zinc/64/47/79/449644779.db2.gz JWNJXVDWSMWLEU-WFASDCNBSA-N 1 0 337.376 1.565 20 5 EDBDRO Cc1ccncc1CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000594716867 449645273 /nfs/dbraw/zinc/64/52/73/449645273.db2.gz YLLKZBXVZCUNKD-UHFFFAOYSA-N 1 0 349.412 1.904 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCN3CC[C@H](O)C3)cs2)c1 ZINC000599019216 449699716 /nfs/dbraw/zinc/69/97/16/449699716.db2.gz RQQWOLWSNUCQQK-HNNXBMFYSA-N 1 0 348.428 1.875 20 5 EDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCN2CCCS2(=O)=O)c(Cl)c1 ZINC000601136896 449710421 /nfs/dbraw/zinc/71/04/21/449710421.db2.gz LNUBQNKQAPKKRJ-UHFFFAOYSA-N 1 0 347.824 1.763 20 5 EDBDRO CNC(=O)c1ccc(N2CCC([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000599106113 449738497 /nfs/dbraw/zinc/73/84/97/449738497.db2.gz SCUQDWMNMOLABO-UHFFFAOYSA-N 1 0 348.403 1.255 20 5 EDBDRO CO[C@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CCOCC1 ZINC000602638061 449721010 /nfs/dbraw/zinc/72/10/10/449721010.db2.gz BPRIWDZLVVOZDF-OAHLLOKOSA-N 1 0 338.408 1.870 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](C)C1 ZINC000602647382 449727513 /nfs/dbraw/zinc/72/75/13/449727513.db2.gz HVYFJIGOFFJMAH-VXGBXAGGSA-N 1 0 334.376 1.623 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c1C ZINC000599102353 449733423 /nfs/dbraw/zinc/73/34/23/449733423.db2.gz DKLMSNKLMJRFAG-CMPLNLGQSA-N 1 0 327.406 1.630 20 5 EDBDRO [NH3+]C1(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCOCC1 ZINC000599103357 449734174 /nfs/dbraw/zinc/73/41/74/449734174.db2.gz RPPQQZZRHPUIGV-UHFFFAOYSA-N 1 0 349.796 1.034 20 5 EDBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602590877 449690899 /nfs/dbraw/zinc/69/08/99/449690899.db2.gz KBMDMNJYBBTIHV-TXEJJXNPSA-N 1 0 327.344 1.357 20 5 EDBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601110380 449694800 /nfs/dbraw/zinc/69/48/00/449694800.db2.gz CABGCIPJCFDTDG-GFCCVEGCSA-N 1 0 339.371 1.484 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000599107900 449740321 /nfs/dbraw/zinc/74/03/21/449740321.db2.gz XEYJHMCWPSSIRL-GFCCVEGCSA-N 1 0 343.405 1.222 20 5 EDBDRO CCN1C[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1=O ZINC000602712867 449763157 /nfs/dbraw/zinc/76/31/57/449763157.db2.gz PCQRICOPTVYFKA-ZDUSSCGKSA-N 1 0 347.419 1.417 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000602796971 449816024 /nfs/dbraw/zinc/81/60/24/449816024.db2.gz LDEMGXUCCLFNBQ-SOUVJXGZSA-N 1 0 337.424 1.283 20 5 EDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000614822749 449831603 /nfs/dbraw/zinc/83/16/03/449831603.db2.gz SQBXNFZIRNDWNQ-LBPRGKRZSA-N 1 0 345.403 1.819 20 5 EDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000612611853 449799390 /nfs/dbraw/zinc/79/93/90/449799390.db2.gz OVXSZUYGLUJGNV-NSHDSACASA-N 1 0 340.355 1.966 20 5 EDBDRO CC[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000601358699 449872201 /nfs/dbraw/zinc/87/22/01/449872201.db2.gz MMMKBJIJHWYQKD-CMPLNLGQSA-N 1 0 345.396 1.661 20 5 EDBDRO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000595111394 449875645 /nfs/dbraw/zinc/87/56/45/449875645.db2.gz JPTVSKHMAJYGKS-XYPYZODXSA-N 1 0 328.394 1.033 20 5 EDBDRO Cn1cc(CC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000599302264 449876037 /nfs/dbraw/zinc/87/60/37/449876037.db2.gz CDXLXVRZQUCUCM-UHFFFAOYSA-N 1 0 331.376 1.809 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000601369460 449884146 /nfs/dbraw/zinc/88/41/46/449884146.db2.gz NREUVSYJORBAFF-PSASIEDQSA-N 1 0 333.435 1.535 20 5 EDBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[C@@H]1c1ccccc1 ZINC000595221308 449955893 /nfs/dbraw/zinc/95/58/93/449955893.db2.gz OMJCAXZMCJFGGO-HUUCEWRRSA-N 1 0 326.356 1.947 20 5 EDBDRO C[NH+](C)CCn1cc(NC(=O)CNc2ccccc2[N+](=O)[O-])cn1 ZINC000608879323 449947851 /nfs/dbraw/zinc/94/78/51/449947851.db2.gz QNDPOTJZSIHFNB-UHFFFAOYSA-N 1 0 332.364 1.404 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CCO)(CCO)CC1 ZINC000602965507 449967684 /nfs/dbraw/zinc/96/76/84/449967684.db2.gz HLMUBDGSBRYRNT-UHFFFAOYSA-N 1 0 338.404 1.950 20 5 EDBDRO CC(C)[C@H]([NH3+])CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595274375 449992926 /nfs/dbraw/zinc/99/29/26/449992926.db2.gz UJNSYNOFQKNPJA-LLVKDONJSA-N 1 0 334.380 1.644 20 5 EDBDRO CC(C)[C@H]([NH3+])CCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000595274395 449993186 /nfs/dbraw/zinc/99/31/86/449993186.db2.gz XBAPIVXYGUIECS-OAHLLOKOSA-N 1 0 336.392 1.741 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609387941 450022027 /nfs/dbraw/zinc/02/20/27/450022027.db2.gz QOEWDNSHLOKMKW-CYBMUJFWSA-N 1 0 339.417 1.666 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000595353357 450067936 /nfs/dbraw/zinc/06/79/36/450067936.db2.gz GTKMHPTXNDSKRE-LBPRGKRZSA-N 1 0 327.406 1.666 20 5 EDBDRO CC(C)(C(=O)N[C@@H](CO)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000603052073 450035658 /nfs/dbraw/zinc/03/56/58/450035658.db2.gz GQUJFWZIQVGEGJ-CQSZACIVSA-N 1 0 335.404 1.445 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000595375932 450089078 /nfs/dbraw/zinc/08/90/78/450089078.db2.gz GQJKYLMJAKUNAH-WMLDXEAASA-N 1 0 347.415 1.904 20 5 EDBDRO COc1ccc(OCCN2CC[NH+](CCCF)CC2)c([N+](=O)[O-])c1 ZINC000599669627 450141894 /nfs/dbraw/zinc/14/18/94/450141894.db2.gz MSKGETUZSQHGHL-UHFFFAOYSA-N 1 0 341.383 1.959 20 5 EDBDRO C[C@@H](C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000597624355 450153658 /nfs/dbraw/zinc/15/36/58/450153658.db2.gz HQTBHDMCBUQDDG-CZUORRHYSA-N 1 0 332.404 1.204 20 5 EDBDRO COc1ccc([C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cn1 ZINC000599695536 450160751 /nfs/dbraw/zinc/16/07/51/450160751.db2.gz DAPFRPMNDCEACR-GOEBONIOSA-N 1 0 347.375 1.297 20 5 EDBDRO Cn1cc([C@@H]2C[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C[C@H]2CO)cn1 ZINC000595466071 450161598 /nfs/dbraw/zinc/16/15/98/450161598.db2.gz PGXFIKUVRVVPJY-ZFWWWQNUSA-N 1 0 334.351 1.675 20 5 EDBDRO O=[N+]([O-])c1ccc(OCCn2cc(C[C@@H]3CCC[NH2+]C3)nn2)cc1 ZINC000603199710 450137059 /nfs/dbraw/zinc/13/70/59/450137059.db2.gz DMMPAYOTTYOOGA-ZDUSSCGKSA-N 1 0 331.376 1.807 20 5 EDBDRO CC1([NH+]2CCCC2)CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000601737025 450201903 /nfs/dbraw/zinc/20/19/03/450201903.db2.gz BTCNNQQNBDPKQY-UHFFFAOYSA-N 1 0 335.408 1.658 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000610390130 450205987 /nfs/dbraw/zinc/20/59/87/450205987.db2.gz ULPXGIHLCLEHIJ-CVEARBPZSA-N 1 0 332.360 1.695 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3ccc(F)cc3)CCC2)c1 ZINC000610390333 450206037 /nfs/dbraw/zinc/20/60/37/450206037.db2.gz ALSAOHPGJNOCSZ-HNNXBMFYSA-N 1 0 334.351 1.960 20 5 EDBDRO C[NH+](C)CCn1cc(NC(=O)NCCc2ccccc2[N+](=O)[O-])cn1 ZINC000610478022 450235297 /nfs/dbraw/zinc/23/52/97/450235297.db2.gz CVCGIMRPECWXCF-UHFFFAOYSA-N 1 0 346.391 1.717 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCN(C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000603373803 450269024 /nfs/dbraw/zinc/26/90/24/450269024.db2.gz GGVORMSUGVDZIL-UHFFFAOYSA-N 1 0 343.405 1.318 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[N@@H+]1C1CC1 ZINC000610653947 450285416 /nfs/dbraw/zinc/28/54/16/450285416.db2.gz PPUWJGYMHYUNAE-WDEREUQCSA-N 1 0 347.371 1.721 20 5 EDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCN3C[C@H]4CC[C@@H](C3)O4)CC2)n1 ZINC000618761248 450296460 /nfs/dbraw/zinc/29/64/60/450296460.db2.gz XLKUFYZJRYNYJK-GASCZTMLSA-N 1 0 335.408 1.291 20 5 EDBDRO C[N@@H+]1CCC[C@@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000618807337 450306925 /nfs/dbraw/zinc/30/69/25/450306925.db2.gz YAYTVKCLSBGCTQ-GFCCVEGCSA-N 1 0 336.396 1.232 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000616089491 450318259 /nfs/dbraw/zinc/31/82/59/450318259.db2.gz XZCUTENAGFCCGY-CYBMUJFWSA-N 1 0 337.376 1.330 20 5 EDBDRO COCCNC(=O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000603873114 450362620 /nfs/dbraw/zinc/36/26/20/450362620.db2.gz DUFPGFDCUHXZBB-UHFFFAOYSA-N 1 0 335.404 1.612 20 5 EDBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000610913437 450378845 /nfs/dbraw/zinc/37/88/45/450378845.db2.gz VTTYUXFDYDCBGU-CQSZACIVSA-N 1 0 337.351 1.717 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000619472983 450483226 /nfs/dbraw/zinc/48/32/26/450483226.db2.gz SXUXYJYARVLEBN-UHFFFAOYSA-N 1 0 345.421 1.470 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)c1ccnn1C ZINC000459716250 486636822 /nfs/dbraw/zinc/63/68/22/486636822.db2.gz PWRHAMCZUPVEHW-BXUZGUMPSA-N 1 0 347.375 1.369 20 5 EDBDRO Cc1c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000178120359 533754237 /nfs/dbraw/zinc/75/42/37/533754237.db2.gz GJSNSKHXYRRWMK-AWEZNQCLSA-N 1 0 333.388 1.698 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000133160824 533873795 /nfs/dbraw/zinc/87/37/95/533873795.db2.gz KTIYCKWJKXLFMZ-NSHDSACASA-N 1 0 333.797 1.572 20 5 EDBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000184079457 533907403 /nfs/dbraw/zinc/90/74/03/533907403.db2.gz RMSLYUZWBQBBAA-CQSZACIVSA-N 1 0 349.435 1.149 20 5 EDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000130279588 527747690 /nfs/dbraw/zinc/74/76/90/527747690.db2.gz ONUBCDGPFMNRJV-TZMCWYRMSA-N 1 0 338.412 1.163 20 5 EDBDRO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000160296160 527980745 /nfs/dbraw/zinc/98/07/45/527980745.db2.gz PCWVHUMKDLWFTA-CYBMUJFWSA-N 1 0 341.433 1.994 20 5 EDBDRO CC[NH+](CC)CC(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183327821 528085019 /nfs/dbraw/zinc/08/50/19/528085019.db2.gz UNMDCZFEQDAZPB-UHFFFAOYSA-N 1 0 348.447 1.889 20 5 EDBDRO CC[NH+](CC)CCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184081242 528112149 /nfs/dbraw/zinc/11/21/49/528112149.db2.gz RMUQNVDNMJUXNL-UHFFFAOYSA-N 1 0 329.422 1.746 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000184969819 528334997 /nfs/dbraw/zinc/33/49/97/528334997.db2.gz NADXHIMAQXUXJI-RTXFEEFZSA-N 1 0 349.387 1.811 20 5 EDBDRO CC(C)[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+]1CCCC1 ZINC000151867891 528454466 /nfs/dbraw/zinc/45/44/66/528454466.db2.gz JYHQQMRXRLRSCN-CQSZACIVSA-N 1 0 338.412 1.211 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000183952581 528548869 /nfs/dbraw/zinc/54/88/69/528548869.db2.gz WBJLKXVINGXJEC-UHFFFAOYSA-N 1 0 332.360 1.187 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000261698291 535950043 /nfs/dbraw/zinc/95/00/43/535950043.db2.gz JBLHNCGJESDBSE-DLOVCJGASA-N 1 0 338.412 1.023 20 5 EDBDRO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000248834927 536457717 /nfs/dbraw/zinc/45/77/17/536457717.db2.gz NQHTZBVGUVIPNH-UKRRQHHQSA-N 1 0 342.355 1.871 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000353224814 536476474 /nfs/dbraw/zinc/47/64/74/536476474.db2.gz MFZCPOCMGWCQIQ-SNVBAGLBSA-N 1 0 334.332 1.721 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000353211489 536476552 /nfs/dbraw/zinc/47/65/52/536476552.db2.gz UFBQKZAWOGKMRM-WYVULQQZSA-N 1 0 344.389 1.003 20 5 EDBDRO COC(=O)c1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000247000009 536874306 /nfs/dbraw/zinc/87/43/06/536874306.db2.gz FLZGHEOZELFKOM-FZMZJTMJSA-N 1 0 347.371 1.690 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](O)c2cccc(Cl)c2)c1 ZINC000743261553 579474513 /nfs/dbraw/zinc/47/45/13/579474513.db2.gz VCHSALMWWTXDOG-ZIAGYGMSSA-N 1 0 340.767 1.129 20 5 EDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729498505 578577074 /nfs/dbraw/zinc/57/70/74/578577074.db2.gz OXJSHFYRDFSRNW-GJZGRUSLSA-N 1 0 334.376 1.257 20 5 EDBDRO C[NH+](C)C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CCO1 ZINC000731304666 578673651 /nfs/dbraw/zinc/67/36/51/578673651.db2.gz ZJRQMFBIMMHVCA-AWEZNQCLSA-N 1 0 348.403 1.254 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000733159863 578746113 /nfs/dbraw/zinc/74/61/13/578746113.db2.gz YJCNBWGWALVKRF-QGZVFWFLSA-N 1 0 347.415 1.897 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCN(c3ncccn3)C2)c1 ZINC000749679148 579734541 /nfs/dbraw/zinc/73/45/41/579734541.db2.gz VIVIRBSFWXGBMV-GOEBONIOSA-N 1 0 343.387 1.677 20 5 EDBDRO O=[N+]([O-])c1c(N2CC[NH+](C[C@@H]3CCOC3)CC2)nc2ccccn21 ZINC000750029364 579749042 /nfs/dbraw/zinc/74/90/42/579749042.db2.gz HMZPVLBFFRGATQ-ZDUSSCGKSA-N 1 0 331.376 1.401 20 5 EDBDRO C/C(=C\C(=O)NC[C@@H](C)N1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752365540 579846981 /nfs/dbraw/zinc/84/69/81/579846981.db2.gz NXZSURZRWAWMOC-OKFGHLOFSA-N 1 0 346.431 1.750 20 5 EDBDRO O=C1NCCN1[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776585058 580422430 /nfs/dbraw/zinc/42/24/30/580422430.db2.gz RZDCFSPFWSDLIH-HUUCEWRRSA-N 1 0 334.376 1.118 20 5 EDBDRO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCC[NH+]1CCCC1 ZINC000781570046 580552584 /nfs/dbraw/zinc/55/25/84/580552584.db2.gz XKZGAIJSKSAPRP-UHFFFAOYSA-N 1 0 336.348 1.648 20 5 EDBDRO C[NH+](C)CCCNC(=S)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000782385210 580573483 /nfs/dbraw/zinc/57/34/83/580573483.db2.gz MTSVWIPNXCBYHZ-UHFFFAOYSA-N 1 0 340.453 1.254 20 5 EDBDRO CCS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000788427868 580721148 /nfs/dbraw/zinc/72/11/48/580721148.db2.gz AQQSFOVVSFMQEU-NEPJUHHUSA-N 1 0 330.410 1.299 20 5 EDBDRO COc1ccc(C(=O)OC[C@@H]2C[N@@H+](C(C)C)CCO2)cc1[N+](=O)[O-] ZINC000789774453 580753381 /nfs/dbraw/zinc/75/33/81/580753381.db2.gz UDSBAQJMOQSHRV-ZDUSSCGKSA-N 1 0 338.360 1.869 20 5 EDBDRO Cc1c(C[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)cccc1[N+](=O)[O-] ZINC000790543794 580772647 /nfs/dbraw/zinc/77/26/47/580772647.db2.gz SDJOHENHDWGRET-CQSZACIVSA-N 1 0 343.387 1.922 20 5 EDBDRO C[N@@H+]1CC[C@](O)(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790931721 580781560 /nfs/dbraw/zinc/78/15/60/580781560.db2.gz RACMANVQGMFVQK-AWEZNQCLSA-N 1 0 345.758 1.113 20 5 EDBDRO COC(=O)c1cc(NC(=S)NCC[NH+](C)C)c(C)c([N+](=O)[O-])c1 ZINC000792686103 580824943 /nfs/dbraw/zinc/82/49/43/580824943.db2.gz UHQKKNSKOVNFGB-UHFFFAOYSA-N 1 0 340.405 1.538 20 5 EDBDRO COCC[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCOC1 ZINC000792882647 580830060 /nfs/dbraw/zinc/83/00/60/580830060.db2.gz VWONYSGCIAVQBE-AWEZNQCLSA-N 1 0 325.321 1.788 20 5 EDBDRO CNC(=O)[C@]1(C)CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000797413339 580974703 /nfs/dbraw/zinc/97/47/03/580974703.db2.gz CIISSESDPZXPRN-QGZVFWFLSA-N 1 0 343.387 1.874 20 5 EDBDRO Cc1ccc(CNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000892537067 591064862 /nfs/dbraw/zinc/06/48/62/591064862.db2.gz NVANRDPFNDOZBI-HNNXBMFYSA-N 1 0 347.419 1.092 20 5 EDBDRO [NH3+]CCN(c1ccccc1[N+](=O)[O-])[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894448995 591314795 /nfs/dbraw/zinc/31/47/95/591314795.db2.gz RCWIFNHJLCRYJF-CHWSQXEVSA-N 1 0 339.367 1.994 20 5 EDBDRO O=C(Nc1nccc2c1cccc2[N+](=O)[O-])C1C[NH+]([C@@H]2CCOC2)C1 ZINC000898460974 591362923 /nfs/dbraw/zinc/36/29/23/591362923.db2.gz BODIJVXOGVDBGV-GFCCVEGCSA-N 1 0 342.355 1.802 20 5 EDBDRO CN1CCOC[C@@]1(CO)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000896458038 591472916 /nfs/dbraw/zinc/47/29/16/591472916.db2.gz LWMORIRWGVWETB-AWEZNQCLSA-N 1 0 329.784 1.031 20 5 EDBDRO C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@H]1C[N@H+](C)CCN1C ZINC000895245926 591678981 /nfs/dbraw/zinc/67/89/81/591678981.db2.gz JTGQPIMHBUKXNK-MWLCHTKSSA-N 1 0 336.421 1.646 20 5 EDBDRO O=C(C1C[NH+]([C@H]2CCOC2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000897064599 591731385 /nfs/dbraw/zinc/73/13/85/591731385.db2.gz JOXIMDDBGVDYBF-KRWDZBQOSA-N 1 0 345.399 1.807 20 5 EDBDRO CN1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC[N@H+](C)CC1 ZINC000897096270 591737938 /nfs/dbraw/zinc/73/79/38/591737938.db2.gz BAZYZVGCWKIXHO-UHFFFAOYSA-N 1 0 335.433 1.888 20 5 EDBDRO C[N@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000899739439 591927232 /nfs/dbraw/zinc/92/72/32/591927232.db2.gz YWSOBUAISXAZBI-UHFFFAOYSA-N 1 0 335.282 1.268 20 5 EDBDRO CC(C)[NH+]1CCN(CCC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000900241013 591952133 /nfs/dbraw/zinc/95/21/33/591952133.db2.gz NNXLZEXKJOZQAD-UHFFFAOYSA-N 1 0 334.420 1.627 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000902827021 592067383 /nfs/dbraw/zinc/06/73/83/592067383.db2.gz ITZHVWNFDKBTGQ-GXTWGEPZSA-N 1 0 332.360 1.228 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)c(C)c1[N+](=O)[O-] ZINC000903591164 592235077 /nfs/dbraw/zinc/23/50/77/592235077.db2.gz BQAQVTIDPQUPLY-HNNXBMFYSA-N 1 0 339.417 1.728 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)c1C ZINC000903592554 592236711 /nfs/dbraw/zinc/23/67/11/592236711.db2.gz FOTQTFAKXNXNKK-HNNXBMFYSA-N 1 0 339.417 1.728 20 5 EDBDRO COc1cc(CNCC2([NH3+])CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000904445642 592262701 /nfs/dbraw/zinc/26/27/01/592262701.db2.gz ZCEPRIUSEOQOPK-UHFFFAOYSA-N 1 0 331.319 1.828 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906690984 592291070 /nfs/dbraw/zinc/29/10/70/592291070.db2.gz CFEHBNMGQOBAMD-GFCCVEGCSA-N 1 0 349.387 1.780 20 5 EDBDRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000908206440 592384216 /nfs/dbraw/zinc/38/42/16/592384216.db2.gz RWQONISXYQUFKI-SNVBAGLBSA-N 1 0 345.758 1.574 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000908278380 592422437 /nfs/dbraw/zinc/42/24/37/592422437.db2.gz HADSIPYZBWVRPG-WFASDCNBSA-N 1 0 335.360 1.795 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCCO4)[C@@H]2C1 ZINC000908348399 592455823 /nfs/dbraw/zinc/45/58/23/592455823.db2.gz OBDLKNSIFPMEFC-SMDDNHRTSA-N 1 0 347.371 1.532 20 5 EDBDRO O=[N+]([O-])c1c(N[C@H]2C[NH2+]CC3(CCOCC3)C2)nc2ccccn21 ZINC000905690401 592605830 /nfs/dbraw/zinc/60/58/30/592605830.db2.gz ODRZWNIDEOPBIE-GFCCVEGCSA-N 1 0 331.376 1.813 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCC2CCC(F)(F)CC2)c1 ZINC000905675991 592608734 /nfs/dbraw/zinc/60/87/34/592608734.db2.gz BFSPJEPXRQIHRG-ZDUSSCGKSA-N 1 0 332.351 1.957 20 5 EDBDRO CC1(C)CCN(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000905684450 592612645 /nfs/dbraw/zinc/61/26/45/592612645.db2.gz XAIVMNFQAATOPZ-OAHLLOKOSA-N 1 0 337.420 1.656 20 5 EDBDRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000905692337 592623463 /nfs/dbraw/zinc/62/34/63/592623463.db2.gz BTFFFLPZZXCTFK-ISOBSLSZSA-N 1 0 339.779 1.965 20 5 EDBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000907547181 592702625 /nfs/dbraw/zinc/70/26/25/592702625.db2.gz BISQPDIWGNQJGA-RISCZKNCSA-N 1 0 325.390 1.167 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)C1CC1 ZINC000906339653 592798764 /nfs/dbraw/zinc/79/87/64/592798764.db2.gz ZWSMAUVEGIFBOU-CYBMUJFWSA-N 1 0 349.387 1.826 20 5 EDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906360379 592804601 /nfs/dbraw/zinc/80/46/01/592804601.db2.gz WCQOSWMPOPBOFL-NSHDSACASA-N 1 0 335.360 1.438 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H](C)C1 ZINC000910295727 592833156 /nfs/dbraw/zinc/83/31/56/592833156.db2.gz WTPOBPRYCDBNCF-LLVKDONJSA-N 1 0 335.360 1.880 20 5 EDBDRO CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000910471277 592868047 /nfs/dbraw/zinc/86/80/47/592868047.db2.gz AJFBDEFAGAJPCF-NSHDSACASA-N 1 0 335.360 1.580 20 5 EDBDRO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000912001992 593047972 /nfs/dbraw/zinc/04/79/72/593047972.db2.gz XWLNBGMIQDIXNF-ZIAGYGMSSA-N 1 0 332.404 1.489 20 5 EDBDRO COC1CC[NH+](C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)CC1 ZINC000839666096 593359857 /nfs/dbraw/zinc/35/98/57/593359857.db2.gz LGYYAZFORPDINR-ZIAGYGMSSA-N 1 0 325.409 1.191 20 5 EDBDRO COc1cccc([C@H]2[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000839721357 593373655 /nfs/dbraw/zinc/37/36/55/593373655.db2.gz UOUAZMUXMVABKS-TWMKSMIVSA-N 1 0 345.399 1.754 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000758265600 593399228 /nfs/dbraw/zinc/39/92/28/593399228.db2.gz PEMIJSILQRFLNE-SNVBAGLBSA-N 1 0 333.435 1.761 20 5 EDBDRO COC(=O)CC(C)(C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000761200370 593412570 /nfs/dbraw/zinc/41/25/70/593412570.db2.gz VRFAQWXOQFTYBM-GFCCVEGCSA-N 1 0 326.349 1.266 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OCCn2ccc([N+](=O)[O-])n2)C1 ZINC000811448064 593470927 /nfs/dbraw/zinc/47/09/27/593470927.db2.gz SHJCBXNWLMVTCO-CQSZACIVSA-N 1 0 328.344 1.547 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)cc1 ZINC000815285444 593625007 /nfs/dbraw/zinc/62/50/07/593625007.db2.gz HDESUOOPARZLQH-IXDOHACOSA-N 1 0 336.388 1.538 20 5 EDBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C1(C[NH3+])CCC1 ZINC000818597692 593706700 /nfs/dbraw/zinc/70/67/00/593706700.db2.gz YCNMKEOJKOKZPY-UHFFFAOYSA-N 1 0 348.403 1.385 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2nnc3n2CCCCC3)cc1 ZINC000818946492 593729451 /nfs/dbraw/zinc/72/94/51/593729451.db2.gz PBTKFTSQVSQTBU-HNNXBMFYSA-N 1 0 345.403 1.778 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000819063038 593736719 /nfs/dbraw/zinc/73/67/19/593736719.db2.gz VXURYOJMLGSXPQ-MSOLQXFVSA-N 1 0 349.431 1.861 20 5 EDBDRO Cc1cc(NCCS(=O)(=O)C2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000840372948 593737758 /nfs/dbraw/zinc/73/77/58/593737758.db2.gz KTFJXSQFOXYUPY-UHFFFAOYSA-N 1 0 335.385 1.862 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CSCCS2)c1 ZINC000819142686 593741126 /nfs/dbraw/zinc/74/11/26/593741126.db2.gz SZYOPHFJJLUKIH-JSGCOSHPSA-N 1 0 344.458 1.773 20 5 EDBDRO CS(=O)(=O)CCCCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819242512 593746291 /nfs/dbraw/zinc/74/62/91/593746291.db2.gz LAHUAOZRLOFJDT-AWEZNQCLSA-N 1 0 330.406 1.433 20 5 EDBDRO CS(=O)(=O)C1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000819307965 593749762 /nfs/dbraw/zinc/74/97/62/593749762.db2.gz JWVRDNCJFSBACQ-AWEZNQCLSA-N 1 0 342.417 1.575 20 5 EDBDRO CC(C)(C)[NH+]1CCC(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000819913658 593776780 /nfs/dbraw/zinc/77/67/80/593776780.db2.gz AGBGYHCYZBWCMV-UHFFFAOYSA-N 1 0 346.395 1.845 20 5 EDBDRO CC(C)[NH+]1CCC(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000820128648 593793440 /nfs/dbraw/zinc/79/34/40/593793440.db2.gz SGLXWLJXEIGSFW-UHFFFAOYSA-N 1 0 332.368 1.455 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840405727 593856549 /nfs/dbraw/zinc/85/65/49/593856549.db2.gz RVIGAGBIHPWSPV-USXIJHARSA-N 1 0 347.415 1.870 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC[C@@H]21 ZINC000821625820 593886828 /nfs/dbraw/zinc/88/68/28/593886828.db2.gz WIZOXIONODADRH-JQWIXIFHSA-N 1 0 344.379 1.090 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CN(C)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821267806 594003022 /nfs/dbraw/zinc/00/30/22/594003022.db2.gz RJQMBLOOALNFPG-SNVBAGLBSA-N 1 0 332.368 1.090 20 5 EDBDRO CC(C)[N@H+](C)C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000821342045 594022768 /nfs/dbraw/zinc/02/27/68/594022768.db2.gz JNEQYCRSYYFWQF-KRWDZBQOSA-N 1 0 336.436 1.418 20 5 EDBDRO CN(C)c1cc(F)c(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000822626002 594075595 /nfs/dbraw/zinc/07/55/95/594075595.db2.gz UIYQKWNVYRMUSA-HNNXBMFYSA-N 1 0 338.383 1.870 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000823249956 594175925 /nfs/dbraw/zinc/17/59/25/594175925.db2.gz RQIRGYMQKFVGAB-CQSZACIVSA-N 1 0 335.404 1.788 20 5 EDBDRO O=[N+]([O-])c1ccccc1-n1ccc(-c2nc(N3CC[NH2+]CC3)no2)n1 ZINC000823304456 594182947 /nfs/dbraw/zinc/18/29/47/594182947.db2.gz XDRPHIGAAOWUQB-UHFFFAOYSA-N 1 0 341.331 1.240 20 5 EDBDRO Cc1ccc(CNC(=O)c2ccn(CC[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC000825640500 594210349 /nfs/dbraw/zinc/21/03/49/594210349.db2.gz HCBOLMIUBXGHMV-UHFFFAOYSA-N 1 0 331.376 1.591 20 5 EDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc([N+](=O)[O-])cc1Cl ZINC000826678037 594553006 /nfs/dbraw/zinc/55/30/06/594553006.db2.gz USVVEGSJFDXJLB-SNVBAGLBSA-N 1 0 326.784 1.804 20 5 EDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000831198006 594579177 /nfs/dbraw/zinc/57/91/77/594579177.db2.gz YGNIDRWTAIKGIG-CHWSQXEVSA-N 1 0 335.408 1.552 20 5 EDBDRO C[NH+]1CCN(C[C@H](O)COc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000840767996 594815422 /nfs/dbraw/zinc/81/54/22/594815422.db2.gz YXMDBGLABRGPSY-NSHDSACASA-N 1 0 329.784 1.235 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000841011326 594838380 /nfs/dbraw/zinc/83/83/80/594838380.db2.gz NGZGMLDTLFCAGC-JTQLQIEISA-N 1 0 328.756 1.830 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000841011734 594839054 /nfs/dbraw/zinc/83/90/54/594839054.db2.gz SWIRYSDJQVHZGQ-UFBFGSQYSA-N 1 0 328.756 1.828 20 5 EDBDRO O=C(NCC1CC[NH2+]CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841150686 594859070 /nfs/dbraw/zinc/85/90/70/594859070.db2.gz HFKPOMLMTHBUPN-UHFFFAOYSA-N 1 0 340.767 1.303 20 5 EDBDRO Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(N)c([N+](=O)[O-])c1 ZINC000833558479 594873345 /nfs/dbraw/zinc/87/33/45/594873345.db2.gz CDMCMVKVYRCZJA-GFCCVEGCSA-N 1 0 336.392 1.062 20 5 EDBDRO C/C(=C/C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000841457142 594903892 /nfs/dbraw/zinc/90/38/92/594903892.db2.gz ORIOAEZLBSHELF-GTISMEIMSA-N 1 0 347.415 1.912 20 5 EDBDRO C[NH2+]C[C@H](C)c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000843224543 595043518 /nfs/dbraw/zinc/04/35/18/595043518.db2.gz PINPWYAKALQBTH-JTQLQIEISA-N 1 0 333.348 1.160 20 5 EDBDRO CC(C)[NH2+]CCc1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000843236449 595045682 /nfs/dbraw/zinc/04/56/82/595045682.db2.gz CKYPPZHFJPQWLW-UHFFFAOYSA-N 1 0 343.347 1.766 20 5 EDBDRO CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC000843387204 595096465 /nfs/dbraw/zinc/09/64/65/595096465.db2.gz QIMHTSGIVIZXOF-CYBMUJFWSA-N 1 0 326.784 1.856 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000842481740 595118127 /nfs/dbraw/zinc/11/81/27/595118127.db2.gz OZTSNWKYZRQHDD-UHFFFAOYSA-N 1 0 347.824 1.977 20 5 EDBDRO COCC[NH+]1CCC(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])CC1 ZINC000843777111 595183033 /nfs/dbraw/zinc/18/30/33/595183033.db2.gz BEZYRPMOEIYFHO-UHFFFAOYSA-N 1 0 339.367 1.883 20 5 EDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000842740900 595185594 /nfs/dbraw/zinc/18/55/94/595185594.db2.gz OAOXRXTYHGTIDD-FGWVZKOKSA-N 1 0 326.378 1.023 20 5 EDBDRO COCC1(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000834755877 595204939 /nfs/dbraw/zinc/20/49/39/595204939.db2.gz SWHJMWURWTVKPT-UHFFFAOYSA-N 1 0 341.795 1.994 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000842813966 595207366 /nfs/dbraw/zinc/20/73/66/595207366.db2.gz BPRKBTQMLMRFNX-VHSXEESVSA-N 1 0 347.824 1.975 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](CO)Cc2ccc(O)cc2)cc1 ZINC000843071108 595280395 /nfs/dbraw/zinc/28/03/95/595280395.db2.gz XWGWBOQXGLMRCS-YOEHRIQHSA-N 1 0 332.356 1.527 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H](O)c2ccccn2)c1 ZINC000843091741 595285110 /nfs/dbraw/zinc/28/51/10/595285110.db2.gz ANMMXXDOFASVRN-CJNGLKHVSA-N 1 0 333.344 1.053 20 5 EDBDRO CCO[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C[NH3+] ZINC000846694935 595303195 /nfs/dbraw/zinc/30/31/95/595303195.db2.gz DYPVMCMVKNVEFJ-ZWNOBZJWSA-N 1 0 327.768 1.684 20 5 EDBDRO CCN1C[C@H](C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)OC1=O ZINC000846826344 595322196 /nfs/dbraw/zinc/32/21/96/595322196.db2.gz OFTPSDDSAGYIHP-YPMHNXCESA-N 1 0 335.364 1.317 20 5 EDBDRO Cc1nn(CN2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000844743205 595387813 /nfs/dbraw/zinc/38/78/13/595387813.db2.gz UMGHQQUAEREHMQ-INIZCTEOSA-N 1 0 329.404 1.916 20 5 EDBDRO COC[C@H]1CCC[N@@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848479767 595390291 /nfs/dbraw/zinc/39/02/91/595390291.db2.gz BFGBUJLBXUWPSM-CVEARBPZSA-N 1 0 333.388 1.979 20 5 EDBDRO COC(=O)CCN1CC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000849319509 595505281 /nfs/dbraw/zinc/50/52/81/595505281.db2.gz AJAWZKVIHYMMHI-SMDDNHRTSA-N 1 0 335.360 1.409 20 5 EDBDRO O=C(NC[C@H]1CCC[NH2+]C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764400 595599845 /nfs/dbraw/zinc/59/98/45/595599845.db2.gz QTSHTGCTYANSDL-JTQLQIEISA-N 1 0 329.303 1.682 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000857766748 595600996 /nfs/dbraw/zinc/60/09/96/595600996.db2.gz RWIKSAKKEBFVCT-NXEZZACHSA-N 1 0 329.303 1.823 20 5 EDBDRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000853080675 595658439 /nfs/dbraw/zinc/65/84/39/595658439.db2.gz CDAGOILCVFJMLP-MRVPVSSYSA-N 1 0 345.274 1.244 20 5 EDBDRO CCN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](CC)C1 ZINC000855489595 595726226 /nfs/dbraw/zinc/72/62/26/595726226.db2.gz AVMDYUAATDPKDI-CQSZACIVSA-N 1 0 349.387 1.729 20 5 EDBDRO COc1c(C(=O)OC[C@]2(C)C[C@H](OC)C[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000861350582 595956944 /nfs/dbraw/zinc/95/69/44/595956944.db2.gz DSTXPUNUVINEIL-ZBEGNZNMSA-N 1 0 338.360 1.869 20 5 EDBDRO COc1cccc(C(=O)OC[C@@]2(C)C[C@H](OC)C[N@@H+]2C)c1[N+](=O)[O-] ZINC000861354223 595960069 /nfs/dbraw/zinc/96/00/69/595960069.db2.gz XZXUUFNCTDSZBI-MEDUHNTESA-N 1 0 338.360 1.869 20 5 EDBDRO CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000861512198 596010644 /nfs/dbraw/zinc/01/06/44/596010644.db2.gz CMPRBAKYQFOEEH-UHFFFAOYSA-N 1 0 336.392 1.638 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC[N@H+]2CCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000856739000 596066633 /nfs/dbraw/zinc/06/66/33/596066633.db2.gz MCRVANALWCZASB-GFCCVEGCSA-N 1 0 341.433 1.974 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861984344 596170272 /nfs/dbraw/zinc/17/02/72/596170272.db2.gz BRLUNXSSVPLJEJ-UHFFFAOYSA-N 1 0 348.403 1.504 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](CCN2CCOCC2)CC2CC2)c1 ZINC000852636210 596215012 /nfs/dbraw/zinc/21/50/12/596215012.db2.gz PUJWFAHCPZZJFZ-GOSISDBHSA-N 1 0 349.431 1.672 20 5 EDBDRO O=C1OC[C@@]2(C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])COCCN12 ZINC000866520431 596238688 /nfs/dbraw/zinc/23/86/88/596238688.db2.gz BCQGQHPNDOUQGO-CZUORRHYSA-N 1 0 333.344 1.393 20 5 EDBDRO O=C(CCN1CCC[C@H]2[NH2+]CC[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000866724776 596311422 /nfs/dbraw/zinc/31/14/22/596311422.db2.gz OTMACLAGXNMONT-HIFRSBDPSA-N 1 0 336.367 1.889 20 5 EDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000869776987 596628212 /nfs/dbraw/zinc/62/82/12/596628212.db2.gz DJAONVKKBTXMNU-JTQLQIEISA-N 1 0 325.340 1.309 20 5 EDBDRO O=C1OC[C@]2(C[NH2+]C/C=C\c3ccccc3[N+](=O)[O-])COCCN12 ZINC000865769042 596675360 /nfs/dbraw/zinc/67/53/60/596675360.db2.gz SJMHUKLFRASKIZ-IMMZDGJCSA-N 1 0 333.344 1.419 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000868128944 596695831 /nfs/dbraw/zinc/69/58/31/596695831.db2.gz STBYCSAXISGLFP-HOCLYGCPSA-N 1 0 332.404 1.873 20 5 EDBDRO Cc1cc(Cl)c(C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000863833479 596700854 /nfs/dbraw/zinc/70/08/54/596700854.db2.gz PTPSEGCCWGMYQL-JTQLQIEISA-N 1 0 327.768 1.353 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119845351 596757021 /nfs/dbraw/zinc/75/70/21/596757021.db2.gz GACROTXMGFGLRK-KOLCDFICSA-N 1 0 333.435 1.617 20 5 EDBDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000119846492 596757163 /nfs/dbraw/zinc/75/71/63/596757163.db2.gz UWPHVGCFRRFHNQ-VHSXEESVSA-N 1 0 333.435 1.760 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866205503 596826640 /nfs/dbraw/zinc/82/66/40/596826640.db2.gz FCDHXGZXNFDZKA-AAEUAGOBSA-N 1 0 339.417 1.529 20 5 EDBDRO CN1CC[NH+](C2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2)CC1 ZINC000866212894 596829975 /nfs/dbraw/zinc/82/99/75/596829975.db2.gz XQWXRQDBXNJHBH-UHFFFAOYSA-N 1 0 349.391 1.719 20 5 EDBDRO COCCN1CC[C@H]([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866262459 596841140 /nfs/dbraw/zinc/84/11/40/596841140.db2.gz ABAAWVNRQOBUOR-WFASDCNBSA-N 1 0 325.384 1.975 20 5 EDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000866384518 596872250 /nfs/dbraw/zinc/87/22/50/596872250.db2.gz ZFMIXUVEFYYATM-ZWNOBZJWSA-N 1 0 345.396 1.288 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3csc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000120020685 596875622 /nfs/dbraw/zinc/87/56/22/596875622.db2.gz JKEBDMPKDXHSNY-PWSUYJOCSA-N 1 0 345.446 1.761 20 5 EDBDRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000124866332 596947036 /nfs/dbraw/zinc/94/70/36/596947036.db2.gz ZULMAMMARBXYDP-UHFFFAOYSA-N 1 0 331.369 1.624 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cccc1[N+](=O)[O-] ZINC000874363115 597034354 /nfs/dbraw/zinc/03/43/54/597034354.db2.gz LRZKPNZMTGHLDF-CABCVRRESA-N 1 0 346.387 1.537 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000873095494 597191665 /nfs/dbraw/zinc/19/16/65/597191665.db2.gz XJVSMMADVOKSDK-CYBMUJFWSA-N 1 0 341.433 1.583 20 5 EDBDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000876551409 597236264 /nfs/dbraw/zinc/23/62/64/597236264.db2.gz QRVKXDDGVKARMW-JBGNVSFKSA-N 1 0 344.415 1.799 20 5 EDBDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000876550684 597236380 /nfs/dbraw/zinc/23/63/80/597236380.db2.gz BCQBEXQZMBKFFM-NVXWUHKLSA-N 1 0 348.403 1.010 20 5 EDBDRO O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000876552492 597237133 /nfs/dbraw/zinc/23/71/33/597237133.db2.gz AMXBERGMHPUTDZ-MVGZEHJDSA-N 1 0 344.415 1.799 20 5 EDBDRO [NH3+]C[C@@H]1[C@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1(F)F ZINC000876940833 597391091 /nfs/dbraw/zinc/39/10/91/597391091.db2.gz YVVZQSLZGCMDRY-CHWSQXEVSA-N 1 0 325.315 1.926 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](CO)Cc3ccccc3)C2)c1 ZINC000876965474 597400356 /nfs/dbraw/zinc/40/03/56/597400356.db2.gz HWCQJJIOHOXNJN-QQFBHYJXSA-N 1 0 330.388 1.936 20 5 EDBDRO COc1cc(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c([N+](=O)[O-])cc1OC ZINC000877378423 597505168 /nfs/dbraw/zinc/50/51/68/597505168.db2.gz JSTXDRCHKQZQGM-MGPLVRAMSA-N 1 0 335.360 1.294 20 5 EDBDRO Cc1c(CNCC(=O)NCC[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000877549073 597534269 /nfs/dbraw/zinc/53/42/69/597534269.db2.gz XSHHMFSMRDALPR-UHFFFAOYSA-N 1 0 348.447 1.985 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC[C@H]21 ZINC000879576700 597640096 /nfs/dbraw/zinc/64/00/96/597640096.db2.gz XDGSEWPGHRVZMU-GOEBONIOSA-N 1 0 344.415 1.510 20 5 EDBDRO COc1ccc(C[NH2+]CC[C@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000883299587 597705832 /nfs/dbraw/zinc/70/58/32/597705832.db2.gz YXSWTISVYIKRDU-GFCCVEGCSA-N 1 0 328.390 1.660 20 5 EDBDRO CN(CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)CCOCCO ZINC000883351451 597722574 /nfs/dbraw/zinc/72/25/74/597722574.db2.gz GHUSRAPBQKMYCA-QGZVFWFLSA-N 1 0 337.420 1.503 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883419972 597740615 /nfs/dbraw/zinc/74/06/15/597740615.db2.gz AACMHRRYFKNOSA-QWRGUYRKSA-N 1 0 342.396 1.114 20 5 EDBDRO CN(C(=O)CN(CCC[NH3+])CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000883443621 597749256 /nfs/dbraw/zinc/74/92/56/597749256.db2.gz ZVJODQSYKJGYPB-UHFFFAOYSA-N 1 0 348.325 1.771 20 5 EDBDRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000883474182 597764981 /nfs/dbraw/zinc/76/49/81/597764981.db2.gz FAKKBPHCBWUZEH-GFCCVEGCSA-N 1 0 327.406 1.666 20 5 EDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000880137848 597853623 /nfs/dbraw/zinc/85/36/23/597853623.db2.gz LNPRTRQDYWRDGR-HOTGVXAUSA-N 1 0 344.415 1.652 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000879429725 597915066 /nfs/dbraw/zinc/91/50/66/597915066.db2.gz APRUFOGLSJMPGT-GFCCVEGCSA-N 1 0 349.387 1.780 20 5 EDBDRO CC[N@@H+]1CC[C@@H]1CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000882960788 598117387 /nfs/dbraw/zinc/11/73/87/598117387.db2.gz WGGWCJWIZKUPLY-LLVKDONJSA-N 1 0 342.421 1.351 20 5 EDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(-c2nn[nH]n2)c1 ZINC000738369296 598499158 /nfs/dbraw/zinc/49/91/58/598499158.db2.gz KKVNLHPJAYVYHV-VXGBXAGGSA-N 1 0 330.352 1.209 20 5 EDBDRO CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC[NH+](C)CC1 ZINC000915286466 695779716 /nfs/dbraw/zinc/77/97/16/695779716.db2.gz XEBSCWKKLDKJBR-UHFFFAOYSA-N 1 0 331.376 1.497 20 5 EDBDRO Cc1ccc(CCC[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001031662850 697440104 /nfs/dbraw/zinc/44/01/04/697440104.db2.gz NSRLQQHLKGQFSI-IAGOWNOFSA-N 1 0 331.416 1.641 20 5 EDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000921079277 697511130 /nfs/dbraw/zinc/51/11/30/697511130.db2.gz UUJKYGXZLNJKEH-GFCCVEGCSA-N 1 0 333.392 1.791 20 5 EDBDRO Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)oc1C ZINC000940107296 700218756 /nfs/dbraw/zinc/21/87/56/700218756.db2.gz HHVSCETWPHXKKD-CHWSQXEVSA-N 1 0 336.392 1.427 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(C)CCN(C(=O)c2cnco2)CC1 ZINC000940238178 700422045 /nfs/dbraw/zinc/42/20/45/700422045.db2.gz UGLDVIAPFUPRAG-UHFFFAOYSA-N 1 0 348.363 1.101 20 5 EDBDRO CCO[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000921679365 706638885 /nfs/dbraw/zinc/63/88/85/706638885.db2.gz CGZLEZVSPNCJAL-OAHLLOKOSA-N 1 0 338.408 1.403 20 5 EDBDRO O=C(c1cn[nH]n1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000996756491 703045228 /nfs/dbraw/zinc/04/52/28/703045228.db2.gz ODRMVDBYGDPQTK-UHFFFAOYSA-N 1 0 330.348 1.107 20 5 EDBDRO O=C(Cn1ccnc1)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001004256224 704083282 /nfs/dbraw/zinc/08/32/82/704083282.db2.gz DEBWHSQCBHRBPF-UHFFFAOYSA-N 1 0 343.387 1.572 20 5 EDBDRO Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1F ZINC001002789957 709384449 /nfs/dbraw/zinc/38/44/49/709384449.db2.gz YQRSAIXONXIAMP-GDBMZVCRSA-N 1 0 335.379 1.880 20 5 EDBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2coc(C3CC3)n2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034644124 710319987 /nfs/dbraw/zinc/31/99/87/710319987.db2.gz CKTOVWRSKMCVGY-QHSBEEBCSA-N 1 0 348.403 1.734 20 5 EDBDRO O=C(NCc1ccc(C[NH2+]Cc2cncs2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034816657 711199475 /nfs/dbraw/zinc/19/94/75/711199475.db2.gz TUFNZDOKCKNZMP-HUUCEWRRSA-N 1 0 346.412 1.714 20 5 EDBDRO CC[C@]1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC[NH2+]1 ZINC000129002363 529386711 /nfs/dbraw/zinc/38/67/11/529386711.db2.gz SYNMDWNGNWTQJX-QGZVFWFLSA-N 1 0 332.404 1.776 20 5 EDBDRO CCc1n[nH]c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000171397561 529467921 /nfs/dbraw/zinc/46/79/21/529467921.db2.gz FDURDXBMYMGDKQ-SNVBAGLBSA-N 1 0 337.405 1.975 20 5 EDBDRO CN(C)c1cc[nH+]cc1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000183477622 529799439 /nfs/dbraw/zinc/79/94/39/529799439.db2.gz BIEQSSGSCFMGFU-UHFFFAOYSA-N 1 0 329.360 1.898 20 5 EDBDRO CC(C)C[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[NH+](C)C ZINC000102488013 219207439 /nfs/dbraw/zinc/20/74/39/219207439.db2.gz OYMVVNGAROCVLD-GFCCVEGCSA-N 1 0 325.413 1.619 20 5 EDBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000067376637 215137864 /nfs/dbraw/zinc/13/78/64/215137864.db2.gz SYAGILVWJPPJGM-MRXNPFEDSA-N 1 0 332.404 1.726 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068132260 215280413 /nfs/dbraw/zinc/28/04/13/215280413.db2.gz NXYNLOYUZHJURB-AWEZNQCLSA-N 1 0 348.403 1.233 20 5 EDBDRO [NH3+]CCCCn1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)nn1 ZINC000563089225 306318450 /nfs/dbraw/zinc/31/84/50/306318450.db2.gz ORWHUVACBPYKST-UHFFFAOYSA-N 1 0 344.375 1.124 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC1CC[NH2+]CC1 ZINC000563118771 306319263 /nfs/dbraw/zinc/31/92/63/306319263.db2.gz BLVJSNONTFXNRS-UHFFFAOYSA-N 1 0 327.406 1.490 20 5 EDBDRO CC[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000412841430 304040377 /nfs/dbraw/zinc/04/03/77/304040377.db2.gz NQCIJVFANOJFBF-CYBMUJFWSA-N 1 0 343.387 1.819 20 5 EDBDRO C[NH+](C)[C@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000183643294 235179897 /nfs/dbraw/zinc/17/98/97/235179897.db2.gz JCAQNQXSXKGPLC-AWEZNQCLSA-N 1 0 327.406 1.103 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000061041529 138164089 /nfs/dbraw/zinc/16/40/89/138164089.db2.gz ZCYJTLGNVGFQEN-INIZCTEOSA-N 1 0 335.404 1.505 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CC1 ZINC000067138272 138184151 /nfs/dbraw/zinc/18/41/51/138184151.db2.gz GKUIKSXBMWWARE-HNNXBMFYSA-N 1 0 344.375 1.246 20 5 EDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])ccc1Cl ZINC000078650839 138258450 /nfs/dbraw/zinc/25/84/50/138258450.db2.gz IVCBROZPPKAHTA-NEPJUHHUSA-N 1 0 339.779 1.841 20 5 EDBDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000078999658 138259842 /nfs/dbraw/zinc/25/98/42/138259842.db2.gz GMTLPWWURPRDOS-UHFFFAOYSA-N 1 0 341.433 1.889 20 5 EDBDRO Cc1c(C(=O)N2CC[NH+](C3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000081035257 138265500 /nfs/dbraw/zinc/26/55/00/138265500.db2.gz KDIPAYYFBVVVRG-UHFFFAOYSA-N 1 0 333.388 1.840 20 5 EDBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000090015341 138277292 /nfs/dbraw/zinc/27/72/92/138277292.db2.gz HKYSUQMFUVOAHR-NSHDSACASA-N 1 0 327.406 1.651 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1nccn1C ZINC000123810243 138321604 /nfs/dbraw/zinc/32/16/04/138321604.db2.gz RJTNLAAVVSBZEL-LLVKDONJSA-N 1 0 345.359 1.105 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000186734652 236001226 /nfs/dbraw/zinc/00/12/26/236001226.db2.gz BLHVFSXFERHCTC-NHYWBVRUSA-N 1 0 329.360 1.508 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000186734668 236001712 /nfs/dbraw/zinc/00/17/12/236001712.db2.gz BLHVFSXFERHCTC-IAQYHMDHSA-N 1 0 329.360 1.508 20 5 EDBDRO C[NH+](C)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000154921062 138525676 /nfs/dbraw/zinc/52/56/76/138525676.db2.gz QVDFNIZSXWQLNS-UHFFFAOYSA-N 1 0 339.367 1.503 20 5 EDBDRO O=C(CC[NH2+][C@H]1CCc2c[nH]nc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000564565924 306361001 /nfs/dbraw/zinc/36/10/01/306361001.db2.gz ZFKOBHMPKKOACD-LBPRGKRZSA-N 1 0 329.360 1.794 20 5 EDBDRO COC(=O)[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC[N@H+](C)C1 ZINC000413902131 304086967 /nfs/dbraw/zinc/08/69/67/304086967.db2.gz NESMXQUDKKUZMQ-CQSZACIVSA-N 1 0 349.387 1.009 20 5 EDBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3C)C2)CC1 ZINC000106805991 219698055 /nfs/dbraw/zinc/69/80/55/219698055.db2.gz ZNKCHQDBPZBXCG-MRXNPFEDSA-N 1 0 346.431 1.755 20 5 EDBDRO C[C@](C[NH3+])(NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CC1 ZINC000262003908 291332927 /nfs/dbraw/zinc/33/29/27/291332927.db2.gz BHAQHEUJCNPPLT-MRXNPFEDSA-N 1 0 329.360 1.638 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000078508433 217065810 /nfs/dbraw/zinc/06/58/10/217065810.db2.gz HJICPAKIGUFQRF-UHFFFAOYSA-N 1 0 325.365 1.254 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000237175352 139043055 /nfs/dbraw/zinc/04/30/55/139043055.db2.gz OQEJUXZWKNKGKR-LBPRGKRZSA-N 1 0 337.376 1.440 20 5 EDBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000237280616 139046465 /nfs/dbraw/zinc/04/64/65/139046465.db2.gz CKYYWMQSKKINPX-GFCCVEGCSA-N 1 0 327.406 1.584 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237666048 139057394 /nfs/dbraw/zinc/05/73/94/139057394.db2.gz MLPVBUSTQGIEAX-FOSCPWQOSA-N 1 0 325.390 1.465 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237994187 139066031 /nfs/dbraw/zinc/06/60/31/139066031.db2.gz MHXBSDPDKQWGNE-UHFFFAOYSA-N 1 0 333.388 1.964 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCCC[NH2+]Cc1cccnc1 ZINC000238104663 139069157 /nfs/dbraw/zinc/06/91/57/139069157.db2.gz YONRXLGXCGIMHD-UHFFFAOYSA-N 1 0 328.372 1.828 20 5 EDBDRO O=C(CC1CC[NH2+]CC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000238131718 139069426 /nfs/dbraw/zinc/06/94/26/139069426.db2.gz WOGSUQLASSDWHT-CYBMUJFWSA-N 1 0 333.392 1.392 20 5 EDBDRO CNC(=O)[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000246282672 139102469 /nfs/dbraw/zinc/10/24/69/139102469.db2.gz WZMIOUMDOMMANH-CMPLNLGQSA-N 1 0 336.392 1.544 20 5 EDBDRO C[C@H]1CN(C)c2ccccc2C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246437911 139108496 /nfs/dbraw/zinc/10/84/96/139108496.db2.gz LTFLQNNGFNEERG-XJKSGUPXSA-N 1 0 345.403 1.493 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)CC[C@H]21 ZINC000248138562 139158551 /nfs/dbraw/zinc/15/85/51/139158551.db2.gz PJDLUYDRRZBDKU-GXFFZTMASA-N 1 0 336.367 1.872 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000248370140 139160848 /nfs/dbraw/zinc/16/08/48/139160848.db2.gz XCPQKHCUUCOBQV-HOTGVXAUSA-N 1 0 335.404 1.505 20 5 EDBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415392387 304212435 /nfs/dbraw/zinc/21/24/35/304212435.db2.gz XWERTBRUDLBAKH-CYBMUJFWSA-N 1 0 329.360 1.796 20 5 EDBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000248418096 139162958 /nfs/dbraw/zinc/16/29/58/139162958.db2.gz KAZYOGFPTWCGHB-TUAOUCFPSA-N 1 0 335.408 1.668 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)C[C@H]12 ZINC000248652967 139170294 /nfs/dbraw/zinc/17/02/94/139170294.db2.gz VMFWZFDNVWYHFA-TUKIKUTGSA-N 1 0 341.371 1.590 20 5 EDBDRO COc1cc(OCC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1[N+](=O)[O-] ZINC000248666357 139170757 /nfs/dbraw/zinc/17/07/57/139170757.db2.gz WQFQVGQGUFLGAM-DRZSPHRISA-N 1 0 335.360 1.178 20 5 EDBDRO CO[C@H]1C[C@H](CN(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[N@H+](C)C1 ZINC000346697798 250044386 /nfs/dbraw/zinc/04/43/86/250044386.db2.gz GYXVDGZSMGDBER-NEPJUHHUSA-N 1 0 346.387 1.867 20 5 EDBDRO C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000249713396 139197416 /nfs/dbraw/zinc/19/74/16/139197416.db2.gz ZUQJFAGJITVMTI-CHWSQXEVSA-N 1 0 341.433 1.994 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000261621282 139211904 /nfs/dbraw/zinc/21/19/04/139211904.db2.gz AWEXHTUTRTXDPP-ZYHUDNBSSA-N 1 0 343.405 1.351 20 5 EDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000261826894 139229480 /nfs/dbraw/zinc/22/94/80/139229480.db2.gz OAZSWXWGIJQDTI-VXGBXAGGSA-N 1 0 329.360 1.590 20 5 EDBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261860016 139232031 /nfs/dbraw/zinc/23/20/31/139232031.db2.gz KHELHONWNZHLON-GFCCVEGCSA-N 1 0 338.795 1.368 20 5 EDBDRO Cc1ccc(NC(=O)C2(n3cccn3)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000261975795 139241180 /nfs/dbraw/zinc/24/11/80/139241180.db2.gz RCWLLFABFPGZPN-UHFFFAOYSA-N 1 0 329.360 1.817 20 5 EDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262046864 139246411 /nfs/dbraw/zinc/24/64/11/139246411.db2.gz GXINZIIOAPTIFW-VXGBXAGGSA-N 1 0 329.360 1.638 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000415569045 304227661 /nfs/dbraw/zinc/22/76/61/304227661.db2.gz JLGFLLNOZVMTIW-MRXNPFEDSA-N 1 0 334.376 1.348 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000415768523 251023667 /nfs/dbraw/zinc/02/36/67/251023667.db2.gz NSDWNSJQOOCJSN-AAEUAGOBSA-N 1 0 332.360 1.052 20 5 EDBDRO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000262271025 139265396 /nfs/dbraw/zinc/26/53/96/139265396.db2.gz MZBPGOGJFAPYBC-ZWNOBZJWSA-N 1 0 348.384 1.028 20 5 EDBDRO C[C@H](NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000417993997 251318867 /nfs/dbraw/zinc/31/88/67/251318867.db2.gz YMLHFQHANPKNRI-UONOGXRCSA-N 1 0 347.419 1.345 20 5 EDBDRO CCCN(C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CC[NH2+]C1 ZINC000418080918 251321484 /nfs/dbraw/zinc/32/14/84/251321484.db2.gz FAOMCFFLBKYYRB-LBPRGKRZSA-N 1 0 346.391 1.755 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000262548608 139285740 /nfs/dbraw/zinc/28/57/40/139285740.db2.gz SAAFMQUIIIPEQN-WCQYABFASA-N 1 0 325.390 1.276 20 5 EDBDRO Cn1cc(C(=O)N2CC[C@@H](C[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262534082 139284718 /nfs/dbraw/zinc/28/47/18/139284718.db2.gz LYOPXJFXWQKOMR-NSHDSACASA-N 1 0 329.360 1.416 20 5 EDBDRO CN(CC(C)(C)C[NH3+])C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000262581617 139288101 /nfs/dbraw/zinc/28/81/01/139288101.db2.gz JZCXZAOSWRRYRY-UHFFFAOYSA-N 1 0 332.364 1.232 20 5 EDBDRO C[NH2+]C1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000420411785 251708931 /nfs/dbraw/zinc/70/89/31/251708931.db2.gz CCLUUKVDPJDIRT-UHFFFAOYSA-N 1 0 327.406 1.151 20 5 EDBDRO O=C(NCc1ccccc1[N+](=O)[O-])c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262845912 139307536 /nfs/dbraw/zinc/30/75/36/139307536.db2.gz UNIMCIUDZMYDOI-ZDUSSCGKSA-N 1 0 329.360 1.646 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262895497 139311053 /nfs/dbraw/zinc/31/10/53/139311053.db2.gz XEQVNEBMGSXJQD-TVQRCGJNSA-N 1 0 330.344 1.576 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000331814052 291820045 /nfs/dbraw/zinc/82/00/45/291820045.db2.gz NCLGHHKRDPZMDA-GXTWGEPZSA-N 1 0 339.417 1.584 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000415651010 304247956 /nfs/dbraw/zinc/24/79/56/304247956.db2.gz GCZDHSAHCJHRLM-ZWNOBZJWSA-N 1 0 334.376 1.352 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000415656946 304249576 /nfs/dbraw/zinc/24/95/76/304249576.db2.gz UJPPIRGBABACEO-BDAKNGLRSA-N 1 0 340.767 1.573 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000415664892 304251944 /nfs/dbraw/zinc/25/19/44/304251944.db2.gz UQNIATRMAMOBBE-GWCFXTLKSA-N 1 0 334.376 1.210 20 5 EDBDRO CN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C)C1 ZINC000153447676 224105696 /nfs/dbraw/zinc/10/56/96/224105696.db2.gz ANZIGCLDKUXKRO-CYBMUJFWSA-N 1 0 344.375 1.342 20 5 EDBDRO Cc1nnc(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000570154936 306531673 /nfs/dbraw/zinc/53/16/73/306531673.db2.gz FVFKCSYRWMWPKF-LBPRGKRZSA-N 1 0 338.389 1.327 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC2=CC[NH2+]CC2)cc1SC ZINC000186346843 533132447 /nfs/dbraw/zinc/13/24/47/533132447.db2.gz REXBXFKBBTWLJC-UHFFFAOYSA-N 1 0 337.401 1.975 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000429764342 254510058 /nfs/dbraw/zinc/51/00/58/254510058.db2.gz JZVMYKDUBINWBL-OCCSQVGLSA-N 1 0 348.403 1.736 20 5 EDBDRO C[C@H]1CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000263674446 139351814 /nfs/dbraw/zinc/35/18/14/139351814.db2.gz GZANQURCQCVCRW-AWEZNQCLSA-N 1 0 332.404 1.585 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cccc1[N+](=O)[O-] ZINC000415753754 304265652 /nfs/dbraw/zinc/26/56/52/304265652.db2.gz GSEUISAVQIKOSJ-BETUJISGSA-N 1 0 346.387 1.300 20 5 EDBDRO CC(C)[C@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@@H+]1C ZINC000489332906 255067458 /nfs/dbraw/zinc/06/74/58/255067458.db2.gz PKBGSKDCEBJPCR-CYBMUJFWSA-N 1 0 335.360 1.736 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)c1 ZINC000490052905 255076864 /nfs/dbraw/zinc/07/68/64/255076864.db2.gz ILDGHCXKJSFGPG-LLVKDONJSA-N 1 0 329.422 1.688 20 5 EDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[N@H+]1CCO ZINC000493767572 255221276 /nfs/dbraw/zinc/22/12/76/255221276.db2.gz BFVZHAVMEXDNIO-KXPUMZMLSA-N 1 0 333.388 1.571 20 5 EDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000118117975 221123595 /nfs/dbraw/zinc/12/35/95/221123595.db2.gz ZIBKAARAZYAPDW-LLVKDONJSA-N 1 0 336.392 1.688 20 5 EDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000118118300 221122576 /nfs/dbraw/zinc/12/25/76/221122576.db2.gz YSELOZHXVLTMGE-GFCCVEGCSA-N 1 0 336.392 1.688 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415849064 304281477 /nfs/dbraw/zinc/28/14/77/304281477.db2.gz MIXZOIUIVSBIRL-GWCFXTLKSA-N 1 0 348.403 1.593 20 5 EDBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000184356753 533584748 /nfs/dbraw/zinc/58/47/48/533584748.db2.gz IMKJXUZSDRNRIG-AWEZNQCLSA-N 1 0 334.420 1.280 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269183221 139890072 /nfs/dbraw/zinc/89/00/72/139890072.db2.gz IXLXNNFCOYNYGB-WFASDCNBSA-N 1 0 348.403 1.443 20 5 EDBDRO Cc1sc(C(=O)N2CCC([N@H+](C)CCCO)CC2)cc1[N+](=O)[O-] ZINC000270416345 140096059 /nfs/dbraw/zinc/09/60/59/140096059.db2.gz ZLVXUURMYLYTTM-UHFFFAOYSA-N 1 0 341.433 1.884 20 5 EDBDRO CCC(CC)(CC(=O)OC)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000270476188 140107361 /nfs/dbraw/zinc/10/73/61/140107361.db2.gz DPCUMUHBRGKSCI-UHFFFAOYSA-N 1 0 325.365 1.468 20 5 EDBDRO Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000270625843 140136716 /nfs/dbraw/zinc/13/67/16/140136716.db2.gz HYAOHQIXNRDJMN-WFASDCNBSA-N 1 0 329.360 1.802 20 5 EDBDRO Cc1c(C(=O)NCC2([NH+](C)C)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000416302597 304306413 /nfs/dbraw/zinc/30/64/13/304306413.db2.gz PBNYUVNTCVHZHJ-UHFFFAOYSA-N 1 0 344.375 1.308 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000331367771 141012193 /nfs/dbraw/zinc/01/21/93/141012193.db2.gz BOMKPKVUSWTBFU-XHDPSFHLSA-N 1 0 339.417 1.497 20 5 EDBDRO NS(=O)(=O)c1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000339952931 142211151 /nfs/dbraw/zinc/21/11/51/142211151.db2.gz LKJWZSKQMATXDY-PWSUYJOCSA-N 1 0 340.405 1.281 20 5 EDBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000347074452 143279428 /nfs/dbraw/zinc/27/94/28/143279428.db2.gz BWRCHDRKOYZPMP-LBPRGKRZSA-N 1 0 346.387 1.605 20 5 EDBDRO C[NH+](C)CC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000347147735 143287678 /nfs/dbraw/zinc/28/76/78/143287678.db2.gz BFZIEQQSOQOACV-UHFFFAOYSA-N 1 0 327.406 1.557 20 5 EDBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)CC1 ZINC000347203491 143294445 /nfs/dbraw/zinc/29/44/45/143294445.db2.gz CMNOJBKXXDTNHB-GFCCVEGCSA-N 1 0 346.387 1.605 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1-c1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000347325615 143308889 /nfs/dbraw/zinc/30/88/89/143308889.db2.gz HEKSMXIFOUQBJE-IINYFYTJSA-N 1 0 334.336 1.304 20 5 EDBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H](O)CO)cc1[N+](=O)[O-] ZINC000347530815 143331930 /nfs/dbraw/zinc/33/19/30/143331930.db2.gz VGLGINDWELWRDZ-OAHLLOKOSA-N 1 0 331.372 1.806 20 5 EDBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453336420 285785447 /nfs/dbraw/zinc/78/54/47/285785447.db2.gz YBDFWHMTLQAWKV-CBBWQLFWSA-N 1 0 338.408 1.916 20 5 EDBDRO C[C@@H]1COCCN1CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000572869703 306602119 /nfs/dbraw/zinc/60/21/19/306602119.db2.gz JZQHDJDPROCZSO-CYBMUJFWSA-N 1 0 336.392 1.234 20 5 EDBDRO Cc1c([C@H](C)[NH2+]C2CCN(c3nnnn3C)CC2)cccc1[N+](=O)[O-] ZINC000369831500 155195099 /nfs/dbraw/zinc/19/50/99/155195099.db2.gz JXVIILUBGVGARK-LBPRGKRZSA-N 1 0 345.407 1.746 20 5 EDBDRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000369880423 155216535 /nfs/dbraw/zinc/21/65/35/155216535.db2.gz ALXWUOXTRVJQCD-RDJZCZTQSA-N 1 0 348.447 1.652 20 5 EDBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1COC[C@@H]1O ZINC000352820120 149180423 /nfs/dbraw/zinc/18/04/23/149180423.db2.gz YRDISLPQUMPVPZ-KGLIPLIRSA-N 1 0 333.344 1.484 20 5 EDBDRO C[NH+](C)CCn1nnnc1SCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352900488 149209393 /nfs/dbraw/zinc/20/93/93/149209393.db2.gz IXZFYWGYVXSAHT-UHFFFAOYSA-N 1 0 348.392 1.312 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1C1CC[NH+](C)CC1 ZINC000354952006 150051575 /nfs/dbraw/zinc/05/15/75/150051575.db2.gz PCMJXADYEOEVDY-LBPRGKRZSA-N 1 0 335.408 1.163 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000357382386 151013977 /nfs/dbraw/zinc/01/39/77/151013977.db2.gz CFLPTYLEMSRGKR-WCQYABFASA-N 1 0 344.375 1.388 20 5 EDBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000370094687 155321601 /nfs/dbraw/zinc/32/16/01/155321601.db2.gz OEENAOYSSMZXBV-CLLJXQQHSA-N 1 0 325.390 1.379 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1[NH+](C)C ZINC000359777045 151818259 /nfs/dbraw/zinc/81/82/59/151818259.db2.gz DVCXJALRIYLRSQ-MLGOLLRUSA-N 1 0 343.387 1.803 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000360651124 152138763 /nfs/dbraw/zinc/13/87/63/152138763.db2.gz FKLCQPXANJHRDF-DGCLKSJQSA-N 1 0 341.433 1.973 20 5 EDBDRO CO[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000417147118 304377689 /nfs/dbraw/zinc/37/76/89/304377689.db2.gz ZCNVSODUNLABDL-TUKIKUTGSA-N 1 0 336.392 1.804 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417179566 304381001 /nfs/dbraw/zinc/38/10/01/304381001.db2.gz MDNXQQFLISMSNL-LBPRGKRZSA-N 1 0 344.318 1.400 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000237319175 286348182 /nfs/dbraw/zinc/34/81/82/286348182.db2.gz ZQKIWRRFEIYJRI-GHMZBOCLSA-N 1 0 343.405 1.351 20 5 EDBDRO COC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000363699461 153033777 /nfs/dbraw/zinc/03/37/77/153033777.db2.gz LCKRJQKFCAWSBK-CXAGYDPISA-N 1 0 347.371 1.469 20 5 EDBDRO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000363870431 153081409 /nfs/dbraw/zinc/08/14/09/153081409.db2.gz VJXHHSMEHFJGPP-VXGBXAGGSA-N 1 0 333.392 1.661 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000363930248 153099721 /nfs/dbraw/zinc/09/97/21/153099721.db2.gz QMQFBWXRXRXUGU-RISCZKNCSA-N 1 0 325.390 1.310 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H]2CCCCNC2=O)cccc1[N+](=O)[O-] ZINC000364115426 153148518 /nfs/dbraw/zinc/14/85/18/153148518.db2.gz PSDMQJCKDIHPPD-HNNXBMFYSA-N 1 0 348.403 1.832 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)c1[N+](=O)[O-] ZINC000367194955 154036656 /nfs/dbraw/zinc/03/66/56/154036656.db2.gz LIQQDCRSOKWBEK-GFCCVEGCSA-N 1 0 327.406 1.632 20 5 EDBDRO C[N@H+](C[C@H]1CC12CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])CC2)C1CC1 ZINC000367296395 154069870 /nfs/dbraw/zinc/06/98/70/154069870.db2.gz QBVMZWWMTLJROI-LLVKDONJSA-N 1 0 333.392 1.654 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)n1 ZINC000367395943 154105176 /nfs/dbraw/zinc/10/51/76/154105176.db2.gz DZAJEBMHXQQEFS-CQSZACIVSA-N 1 0 343.387 1.723 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000367706031 154237168 /nfs/dbraw/zinc/23/71/68/154237168.db2.gz QJIJVQYJWSNQER-ZIAGYGMSSA-N 1 0 347.350 1.192 20 5 EDBDRO C[NH+](C)[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000367746034 154251502 /nfs/dbraw/zinc/25/15/02/154251502.db2.gz LCHOAJOCRDMQFA-RYUDHWBXSA-N 1 0 328.756 1.387 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000367981969 154353250 /nfs/dbraw/zinc/35/32/50/154353250.db2.gz GNJVNFVAIRFHEK-GFCCVEGCSA-N 1 0 334.376 1.429 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)[NH2+]C2CC(c3ccccn3)C2)cc1 ZINC000368020327 154372254 /nfs/dbraw/zinc/37/22/54/154372254.db2.gz VJWSEBMCHSDYTQ-PCHAPFSGSA-N 1 0 343.383 1.920 20 5 EDBDRO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000371711879 156073421 /nfs/dbraw/zinc/07/34/21/156073421.db2.gz WUBTZEXDYYBECT-DRRXZNNHSA-N 1 0 329.400 1.678 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000372156255 156246612 /nfs/dbraw/zinc/24/66/12/156246612.db2.gz NONRWOVAXFRMCG-YESZJQIVSA-N 1 0 335.404 1.159 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCN[C@@H](c2ccncc2)C1 ZINC000374392704 157273084 /nfs/dbraw/zinc/27/30/84/157273084.db2.gz ZKUBZAVCUXWNHM-MRXNPFEDSA-N 1 0 342.355 1.542 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)n1 ZINC000374489674 157306086 /nfs/dbraw/zinc/30/60/86/157306086.db2.gz SYYCKUZUWWYVRA-UHFFFAOYSA-N 1 0 347.379 1.263 20 5 EDBDRO CN(C)c1noc([C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000374553244 157326655 /nfs/dbraw/zinc/32/66/55/157326655.db2.gz XMDLYOYGKBZPLG-NSHDSACASA-N 1 0 335.368 1.120 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000378029219 158061074 /nfs/dbraw/zinc/06/10/74/158061074.db2.gz VYDGEMKGXXYXSX-ZDUSSCGKSA-N 1 0 339.417 1.605 20 5 EDBDRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc([N+](=O)[O-])n3C)CC2)CCO1 ZINC000408039313 158248580 /nfs/dbraw/zinc/24/85/80/158248580.db2.gz WCGCVWLYBJXBIS-LBPRGKRZSA-N 1 0 336.392 1.259 20 5 EDBDRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000352322959 162116840 /nfs/dbraw/zinc/11/68/40/162116840.db2.gz WGLRZRSTTWPNIS-LBPRGKRZSA-N 1 0 329.422 1.917 20 5 EDBDRO CC(C)[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000352469570 162199414 /nfs/dbraw/zinc/19/94/14/162199414.db2.gz YROGCOIJQASUCH-WFASDCNBSA-N 1 0 349.391 1.450 20 5 EDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366313245 162376240 /nfs/dbraw/zinc/37/62/40/162376240.db2.gz OVHPEPLZHIQHRF-KGLIPLIRSA-N 1 0 347.371 1.477 20 5 EDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000418084124 304456245 /nfs/dbraw/zinc/45/62/45/304456245.db2.gz OMRLQTFOVUBNFG-NSHDSACASA-N 1 0 346.391 1.742 20 5 EDBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159561341 225239110 /nfs/dbraw/zinc/23/91/10/225239110.db2.gz DLJCCELMIZMGNE-UHFFFAOYSA-N 1 0 335.339 1.661 20 5 EDBDRO CCC(CC)(C[NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(=O)OC ZINC000120707746 221653035 /nfs/dbraw/zinc/65/30/35/221653035.db2.gz SSGZKLGJXLBBGC-UHFFFAOYSA-N 1 0 325.365 1.326 20 5 EDBDRO COC(=O)c1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000123700148 222319096 /nfs/dbraw/zinc/31/90/96/222319096.db2.gz GSHQGFJKQMHPEE-FZMZJTMJSA-N 1 0 349.387 1.936 20 5 EDBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000237169723 273008399 /nfs/dbraw/zinc/00/83/99/273008399.db2.gz DMFDLGDOKCAWMN-QMMMGPOBSA-N 1 0 330.182 1.943 20 5 EDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237426301 273010144 /nfs/dbraw/zinc/01/01/44/273010144.db2.gz SUCWWOIUJMOKPW-VXGBXAGGSA-N 1 0 329.360 1.732 20 5 EDBDRO Nc1c(C(=O)NCCC[NH2+]Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000238061977 273014096 /nfs/dbraw/zinc/01/40/96/273014096.db2.gz BOCAISTVKAQFQJ-UHFFFAOYSA-N 1 0 329.360 1.482 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270874205 273023397 /nfs/dbraw/zinc/02/33/97/273023397.db2.gz BPCBGSBUJJOHRB-IUODEOHRSA-N 1 0 341.433 1.349 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273685677 268070516 /nfs/dbraw/zinc/07/05/16/268070516.db2.gz LCPCIKSVENEQDZ-ZDUSSCGKSA-N 1 0 327.406 1.451 20 5 EDBDRO COCCO[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000275508082 268353057 /nfs/dbraw/zinc/35/30/57/268353057.db2.gz HQZDTIJSAVDULG-KGLIPLIRSA-N 1 0 340.376 1.072 20 5 EDBDRO CCSCC[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000275824796 268375286 /nfs/dbraw/zinc/37/52/86/268375286.db2.gz ROFAHQWFQPILEO-UHFFFAOYSA-N 1 0 333.435 1.216 20 5 EDBDRO C[C@@H](CC[NH+](C)C)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000276046260 268393734 /nfs/dbraw/zinc/39/37/34/268393734.db2.gz HNESHEIYLIKASJ-LBPRGKRZSA-N 1 0 336.392 1.708 20 5 EDBDRO C[C@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000273535440 273042342 /nfs/dbraw/zinc/04/23/42/273042342.db2.gz DBZGIQGSYSKWDW-FZMZJTMJSA-N 1 0 327.406 1.307 20 5 EDBDRO C[NH+]1CCN(c2ncccc2CNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273551497 273043874 /nfs/dbraw/zinc/04/38/74/273043874.db2.gz AICCJZAVBGFVHI-UHFFFAOYSA-N 1 0 329.364 1.144 20 5 EDBDRO CS[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000273862120 273058183 /nfs/dbraw/zinc/05/81/83/273058183.db2.gz ONTDUQBXMNLZAX-VXGBXAGGSA-N 1 0 325.394 1.499 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279547725 273306230 /nfs/dbraw/zinc/30/62/30/273306230.db2.gz XJWKMKSIGQWTMP-UHFFFAOYSA-N 1 0 328.344 1.014 20 5 EDBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000279761105 273324433 /nfs/dbraw/zinc/32/44/33/273324433.db2.gz MEUVLQPUYLSRGQ-SQWLQELKSA-N 1 0 338.404 1.960 20 5 EDBDRO O=c1nc(C2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)[nH][nH]1 ZINC000281073767 273432634 /nfs/dbraw/zinc/43/26/34/273432634.db2.gz TYLUVMRNWWCSFQ-UHFFFAOYSA-N 1 0 333.348 1.265 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@]2(CO)CCOc3ccccc32)c1 ZINC000281600575 273499129 /nfs/dbraw/zinc/49/91/29/273499129.db2.gz FTRBCBABPGQMDI-AEFFLSMTSA-N 1 0 344.367 1.888 20 5 EDBDRO Cn1nccc1[C@@H]1[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC(=O)N1C ZINC000346727616 274904892 /nfs/dbraw/zinc/90/48/92/274904892.db2.gz AHFNTRWDOLMZHW-PBHICJAKSA-N 1 0 343.387 1.432 20 5 EDBDRO O=[N+]([O-])c1ccc2c(c1N1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)CCN2 ZINC000365551726 275038634 /nfs/dbraw/zinc/03/86/34/275038634.db2.gz UNKFNOSXNZUXPU-GDBMZVCRSA-N 1 0 332.404 1.598 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](C3CC3)[C@]3(CO)CCCO3)nc2c1 ZINC000339756680 275038838 /nfs/dbraw/zinc/03/88/38/275038838.db2.gz DMRRUVIOWZSBHZ-IAGOWNOFSA-N 1 0 346.387 1.881 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000072835746 276120663 /nfs/dbraw/zinc/12/06/63/276120663.db2.gz NZNYOMULPCCDGQ-INIZCTEOSA-N 1 0 346.431 1.900 20 5 EDBDRO CN(CC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000186494143 276818629 /nfs/dbraw/zinc/81/86/29/276818629.db2.gz ABBIAHVFIUQGOA-ZDUSSCGKSA-N 1 0 332.404 1.774 20 5 EDBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000286310921 287979502 /nfs/dbraw/zinc/97/95/02/287979502.db2.gz IPVPXBMQRCBFLT-KBPBESRZSA-N 1 0 348.403 1.502 20 5 EDBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000286594562 288041870 /nfs/dbraw/zinc/04/18/70/288041870.db2.gz QUGZUJIULFXETC-SUUOJUFPSA-N 1 0 348.399 1.690 20 5 EDBDRO CCC[NH+]1CCC(N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000374011214 278803596 /nfs/dbraw/zinc/80/35/96/278803596.db2.gz GVRJTQXDBVFLGK-UHFFFAOYSA-N 1 0 333.436 1.986 20 5 EDBDRO C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000357605149 279090053 /nfs/dbraw/zinc/09/00/53/279090053.db2.gz VIFVILXBIUIXDC-ABAIWWIYSA-N 1 0 331.376 1.771 20 5 EDBDRO Cn1ccnc1C(=O)c1ccc(N2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420129327 279373269 /nfs/dbraw/zinc/37/32/69/279373269.db2.gz WUVMIQCSZXJWDZ-GFCCVEGCSA-N 1 0 329.360 1.487 20 5 EDBDRO C[C@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000268284406 279882194 /nfs/dbraw/zinc/88/21/94/279882194.db2.gz XEKNHLMJLRZFPB-IINYFYTJSA-N 1 0 327.406 1.385 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000262536403 280358481 /nfs/dbraw/zinc/35/84/81/280358481.db2.gz QLOUARNTSDXFLH-UWVGGRQHSA-N 1 0 345.808 1.478 20 5 EDBDRO O=[N+]([O-])c1ccccc1N1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000361286261 280374755 /nfs/dbraw/zinc/37/47/55/280374755.db2.gz HIFUYMUSHGJLDD-UHFFFAOYSA-N 1 0 334.420 1.439 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128629200 280394801 /nfs/dbraw/zinc/39/48/01/280394801.db2.gz XNIKEFDHSUBMNM-CABCVRRESA-N 1 0 331.376 1.727 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000261808112 280657303 /nfs/dbraw/zinc/65/73/03/280657303.db2.gz VJQCYBOKPAICBM-OLZOCXBDSA-N 1 0 339.417 1.727 20 5 EDBDRO CC1CCN(c2ccc(C(=O)N[C@H]3CC[NH2+]C3)cc2[N+](=O)[O-])CC1 ZINC000127737115 281839154 /nfs/dbraw/zinc/83/91/54/281839154.db2.gz QQBVKZVTMRZRLB-AWEZNQCLSA-N 1 0 332.404 1.923 20 5 EDBDRO COc1cc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000289331802 288675041 /nfs/dbraw/zinc/67/50/41/288675041.db2.gz VSPJXLUBKWEAFG-QGZVFWFLSA-N 1 0 349.387 1.828 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000289676000 288757852 /nfs/dbraw/zinc/75/78/52/288757852.db2.gz RVDGPAGPCFNAGI-CVEARBPZSA-N 1 0 332.404 1.632 20 5 EDBDRO Cc1c(C(=O)N[C@@H](C)CCCC[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000292107014 289262982 /nfs/dbraw/zinc/26/29/82/289262982.db2.gz OYQOJOGNNRMUFK-NSHDSACASA-N 1 0 346.391 1.731 20 5 EDBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000292192098 289285158 /nfs/dbraw/zinc/28/51/58/289285158.db2.gz ZBFCJXRZANAIJM-GFCCVEGCSA-N 1 0 337.376 1.631 20 5 EDBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000262514383 295234263 /nfs/dbraw/zinc/23/42/63/295234263.db2.gz NGSVIBMIEJQKHU-SNVBAGLBSA-N 1 0 326.784 1.540 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418572901 304514103 /nfs/dbraw/zinc/51/41/03/304514103.db2.gz KTFDCDCIYINNAB-UONOGXRCSA-N 1 0 347.419 1.424 20 5 EDBDRO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418780472 304530244 /nfs/dbraw/zinc/53/02/44/304530244.db2.gz KNYLZLASAZGUBV-NSHDSACASA-N 1 0 336.392 1.406 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000123052865 298972932 /nfs/dbraw/zinc/97/29/32/298972932.db2.gz NDJXQEVNIUCFFO-ONGXEEELSA-N 1 0 331.369 1.624 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000193282118 301198225 /nfs/dbraw/zinc/19/82/25/301198225.db2.gz ZLEBMDQRGNSLIG-GFCCVEGCSA-N 1 0 329.422 1.863 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000342898225 301382035 /nfs/dbraw/zinc/38/20/35/301382035.db2.gz AAVJEMQCSVWDBV-LBPRGKRZSA-N 1 0 327.406 1.795 20 5 EDBDRO C[C@@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000420298009 304745109 /nfs/dbraw/zinc/74/51/09/304745109.db2.gz ZMBMJOWTGIMXJR-RISCZKNCSA-N 1 0 327.406 1.038 20 5 EDBDRO C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420477389 304763564 /nfs/dbraw/zinc/76/35/64/304763564.db2.gz JMFNWYDWTISZOB-ZJUUUORDSA-N 1 0 347.824 1.854 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000420477953 304763713 /nfs/dbraw/zinc/76/37/13/304763713.db2.gz KJJAQFNOZUKSQO-WCQYABFASA-N 1 0 341.433 1.817 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000193933052 302041411 /nfs/dbraw/zinc/04/14/11/302041411.db2.gz UZPGSNHMQWPIOA-UHFFFAOYSA-N 1 0 327.406 1.618 20 5 EDBDRO CCOc1cc(NC(=O)N(C)CC[NH3+])c([N+](=O)[O-])cc1OCC ZINC000414755294 447323006 /nfs/dbraw/zinc/32/30/06/447323006.db2.gz HFPKESOQNYKMBI-UHFFFAOYSA-N 1 0 326.353 1.815 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000294688341 303136383 /nfs/dbraw/zinc/13/63/83/303136383.db2.gz BPRFZMAWJQLVFY-OAHLLOKOSA-N 1 0 337.420 1.930 20 5 EDBDRO CC[C@H]([NH3+])CNC(=O)CCCn1c2ccc([N+](=O)[O-])cc2oc1=O ZINC000295257700 303195220 /nfs/dbraw/zinc/19/52/20/303195220.db2.gz RAGLBGKKYXCCLQ-JTQLQIEISA-N 1 0 336.348 1.136 20 5 EDBDRO COC(=O)C1CC[NH+](CCCNc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000296184278 303300779 /nfs/dbraw/zinc/30/07/79/303300779.db2.gz BCVPTYSECNVJIP-UHFFFAOYSA-N 1 0 337.380 1.380 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000296417632 303315463 /nfs/dbraw/zinc/31/54/63/303315463.db2.gz VLGXHWQPJFSGIU-IUIKQTSFSA-N 1 0 349.387 1.945 20 5 EDBDRO COC(=O)Cc1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000297248394 303377427 /nfs/dbraw/zinc/37/74/27/303377427.db2.gz VDNZHUAMDMNXGW-CQSZACIVSA-N 1 0 331.372 1.761 20 5 EDBDRO O=C(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)Nc1ccncc1[N+](=O)[O-] ZINC000367791530 303705379 /nfs/dbraw/zinc/70/53/79/303705379.db2.gz DFGLJTDCNYDSHW-GXTWGEPZSA-N 1 0 349.391 1.034 20 5 EDBDRO Cc1ccc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1[N+](=O)[O-] ZINC000360021643 303827362 /nfs/dbraw/zinc/82/73/62/303827362.db2.gz NWVFHHWFTGYWOA-CXAGYDPISA-N 1 0 346.387 1.713 20 5 EDBDRO C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[NH2+]1 ZINC000423031050 304883627 /nfs/dbraw/zinc/88/36/27/304883627.db2.gz CTPAIEOZWZLIRZ-IUODEOHRSA-N 1 0 341.433 1.489 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423532886 304898156 /nfs/dbraw/zinc/89/81/56/304898156.db2.gz RWQLMAUTXRJVMM-WDEREUQCSA-N 1 0 335.360 1.581 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000423601684 304900964 /nfs/dbraw/zinc/90/09/64/304900964.db2.gz CFQSXLSRMZQGPR-KGLIPLIRSA-N 1 0 343.387 1.626 20 5 EDBDRO Cc1nn(CCC(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000424075413 304927807 /nfs/dbraw/zinc/92/78/07/304927807.db2.gz PDJFUJCJDURMBB-GYSYKLTISA-N 1 0 337.424 1.630 20 5 EDBDRO O=C1[C@H](N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000428038363 305004889 /nfs/dbraw/zinc/00/48/89/305004889.db2.gz YAJZARKHHLCOOO-UHOFOFEASA-N 1 0 330.388 1.384 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000428039593 305005146 /nfs/dbraw/zinc/00/51/46/305005146.db2.gz SEAFRUUQEYBDPI-AAEUAGOBSA-N 1 0 334.376 1.226 20 5 EDBDRO CCCN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CC[NH2+]C1 ZINC000429109242 305024071 /nfs/dbraw/zinc/02/40/71/305024071.db2.gz ZEMWZHSNZICLHS-ZDUSSCGKSA-N 1 0 349.387 1.509 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@](C)(O)CC[NH+](C)C)c1 ZINC000429930423 305040533 /nfs/dbraw/zinc/04/05/33/305040533.db2.gz VEDFQKWZSHOGCH-OAHLLOKOSA-N 1 0 325.365 1.036 20 5 EDBDRO COc1ccc(NC(=O)CC[N@H+](C)CC(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC000430569896 305056402 /nfs/dbraw/zinc/05/64/02/305056402.db2.gz GBKRMAXCGXXATI-UHFFFAOYSA-N 1 0 338.408 1.849 20 5 EDBDRO C[NH2+]C[C@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000430933662 305069124 /nfs/dbraw/zinc/06/91/24/305069124.db2.gz LPCFEOZOGZIUDA-SNVBAGLBSA-N 1 0 326.784 1.728 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430943952 305069842 /nfs/dbraw/zinc/06/98/42/305069842.db2.gz REAVRCHAFIIRSG-GVXVVHGQSA-N 1 0 336.392 1.600 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000440438683 305206757 /nfs/dbraw/zinc/20/67/57/305206757.db2.gz KAXKINRDTNIJTP-GFCCVEGCSA-N 1 0 325.390 1.418 20 5 EDBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000440444896 305206973 /nfs/dbraw/zinc/20/69/73/305206973.db2.gz UWLASWXFVIMROQ-JTQLQIEISA-N 1 0 329.353 1.249 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1C ZINC000447241759 305276014 /nfs/dbraw/zinc/27/60/14/305276014.db2.gz CCTIFMDKGRWCEL-NEPJUHHUSA-N 1 0 327.406 1.569 20 5 EDBDRO CCOC(=O)[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC12COC2 ZINC000451134250 305332075 /nfs/dbraw/zinc/33/20/75/305332075.db2.gz KPEIHLKPMCHUOY-HNNXBMFYSA-N 1 0 334.372 1.649 20 5 EDBDRO CC1(C)[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000451484390 305349294 /nfs/dbraw/zinc/34/92/94/305349294.db2.gz ZULLEMNRXZJGHT-CFVMTHIKSA-N 1 0 333.388 1.987 20 5 EDBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000493519204 305618673 /nfs/dbraw/zinc/61/86/73/305618673.db2.gz LJFGVUWROYCUSF-TWZRTHNCSA-N 1 0 345.399 1.963 20 5 EDBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H](C)C1 ZINC000548413861 306127482 /nfs/dbraw/zinc/12/74/82/306127482.db2.gz IQJKUUNTJJNAHY-AAEUAGOBSA-N 1 0 339.396 1.185 20 5 EDBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000449673484 447382832 /nfs/dbraw/zinc/38/28/32/447382832.db2.gz ZZRZEWXOSLWSCP-WBVHZDCISA-N 1 0 349.387 1.328 20 5 EDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000449693490 447387624 /nfs/dbraw/zinc/38/76/24/447387624.db2.gz DSLDACBKZAIQSU-WCQYABFASA-N 1 0 338.433 1.095 20 5 EDBDRO C[N@H+]([C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCCC[C@H]1O ZINC000426218544 447400813 /nfs/dbraw/zinc/40/08/13/447400813.db2.gz UDTDCLOJDPJLPC-BZUAXINKSA-N 1 0 333.388 1.935 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC[N@@H+]1C ZINC000449939795 447416136 /nfs/dbraw/zinc/41/61/36/447416136.db2.gz KDJFDNBMVPDNEY-OCCSQVGLSA-N 1 0 343.387 1.993 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[NH+]1CCC(C)CC1 ZINC000045745058 441027124 /nfs/dbraw/zinc/02/71/24/441027124.db2.gz RXGYHMLKIWNRCY-UHFFFAOYSA-N 1 0 341.433 1.913 20 5 EDBDRO C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[N@H+](C)C1CC1 ZINC000057715690 441131628 /nfs/dbraw/zinc/13/16/28/441131628.db2.gz APEFJRBTAYRRCE-SNVBAGLBSA-N 1 0 335.360 1.579 20 5 EDBDRO CC[NH+](CC)[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1 ZINC000048246181 441277714 /nfs/dbraw/zinc/27/77/14/441277714.db2.gz YSTKDNIAIMYJQM-AWEZNQCLSA-N 1 0 346.391 1.386 20 5 EDBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000106503905 441346492 /nfs/dbraw/zinc/34/64/92/441346492.db2.gz VBIYUNFJQWDVTA-MRXNPFEDSA-N 1 0 347.419 1.839 20 5 EDBDRO C[NH+]1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000081762502 441310187 /nfs/dbraw/zinc/31/01/87/441310187.db2.gz LDAYAZDFCIDKID-UHFFFAOYSA-N 1 0 327.768 1.435 20 5 EDBDRO CC(C)C[C@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)[NH+](C)C ZINC000051654997 441419059 /nfs/dbraw/zinc/41/90/59/441419059.db2.gz IUTRSBSSPHJICG-GFCCVEGCSA-N 1 0 344.437 1.630 20 5 EDBDRO CC[NH+](CC)CCCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000084935756 441425842 /nfs/dbraw/zinc/42/58/42/441425842.db2.gz BVEMRWZLCCIPNW-UHFFFAOYSA-N 1 0 329.422 1.913 20 5 EDBDRO CC[N@@H+]1CC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000107893449 441433711 /nfs/dbraw/zinc/43/37/11/441433711.db2.gz XSLNMAJTUKWPEN-GFCCVEGCSA-N 1 0 337.376 1.440 20 5 EDBDRO CN(C)CC[NH+]1CCC(CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000074138383 441399176 /nfs/dbraw/zinc/39/91/76/441399176.db2.gz NFNHWOGGWJDEOT-UHFFFAOYSA-N 1 0 334.420 1.598 20 5 EDBDRO CC[NH+](CC)CCCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000109151249 441489857 /nfs/dbraw/zinc/48/98/57/441489857.db2.gz ILQKGTCMUODLEZ-UHFFFAOYSA-N 1 0 346.391 1.637 20 5 EDBDRO CC[NH+](CC)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])nc1C)c1ccco1 ZINC000065901211 441492659 /nfs/dbraw/zinc/49/26/59/441492659.db2.gz AAHANRDLEIRPIG-CYBMUJFWSA-N 1 0 349.391 1.892 20 5 EDBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000065910384 441494214 /nfs/dbraw/zinc/49/42/14/441494214.db2.gz KHLJXEGOIMTURI-UHFFFAOYSA-N 1 0 337.424 1.904 20 5 EDBDRO CC[NH+]1CCC(NC(=O)CN2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000088607417 441514915 /nfs/dbraw/zinc/51/49/15/441514915.db2.gz CQWLZISDRYDECN-UHFFFAOYSA-N 1 0 346.431 1.553 20 5 EDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000066137444 441507027 /nfs/dbraw/zinc/50/70/27/441507027.db2.gz QGCSXNZOVVLSAO-LLVKDONJSA-N 1 0 337.376 1.842 20 5 EDBDRO O=C(NCCC[NH+]1CCCC1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000054047392 441556558 /nfs/dbraw/zinc/55/65/58/441556558.db2.gz FQACFJRMEDZLSY-UHFFFAOYSA-N 1 0 335.408 1.792 20 5 EDBDRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccc([N+](=O)[O-])cn2)c1 ZINC000066816349 441570850 /nfs/dbraw/zinc/57/08/50/441570850.db2.gz CATILBBRPVYYTE-UHFFFAOYSA-N 1 0 343.387 1.893 20 5 EDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[NH+]1CCCC1 ZINC000067150664 441610992 /nfs/dbraw/zinc/61/09/92/441610992.db2.gz KAWVGAAXRDHIDO-NSHDSACASA-N 1 0 335.360 1.580 20 5 EDBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000055265064 441635321 /nfs/dbraw/zinc/63/53/21/441635321.db2.gz JVPVGGIMESXHEJ-LLVKDONJSA-N 1 0 345.396 1.744 20 5 EDBDRO Cc1cccc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000114141027 441637075 /nfs/dbraw/zinc/63/70/75/441637075.db2.gz VGJRHJZVJBPOIK-CYBMUJFWSA-N 1 0 334.420 1.517 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000114198185 441640291 /nfs/dbraw/zinc/64/02/91/441640291.db2.gz MDDWGSJHWXNZMP-LBPRGKRZSA-N 1 0 336.392 1.425 20 5 EDBDRO CC[NH+]1CCN(CCCNC(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000041442665 441654683 /nfs/dbraw/zinc/65/46/83/441654683.db2.gz NRFUTDAHOMDXIL-UHFFFAOYSA-N 1 0 335.408 1.056 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000042073356 441701597 /nfs/dbraw/zinc/70/15/97/441701597.db2.gz MJTUGFBAWVLXOL-UHFFFAOYSA-N 1 0 329.784 1.946 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)NCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000067717812 441672702 /nfs/dbraw/zinc/67/27/02/441672702.db2.gz HNSQGHSCUHDZMP-UHFFFAOYSA-N 1 0 347.824 1.929 20 5 EDBDRO COCCC[N@H+](C)CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000173428288 441746473 /nfs/dbraw/zinc/74/64/73/441746473.db2.gz KEGMWQMCCVXDAM-UHFFFAOYSA-N 1 0 345.421 1.150 20 5 EDBDRO C[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000173713239 441828292 /nfs/dbraw/zinc/82/82/92/441828292.db2.gz YWDNNEUYKDWQCH-AWEZNQCLSA-N 1 0 349.435 1.278 20 5 EDBDRO COc1cccc([C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)[NH+](C)C)c1 ZINC000043285533 441830235 /nfs/dbraw/zinc/83/02/35/441830235.db2.gz QQXYRCCHMOAEKM-AWEZNQCLSA-N 1 0 347.375 1.219 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000141751924 441855368 /nfs/dbraw/zinc/85/53/68/441855368.db2.gz OZFLSFSDDVNXBD-GFCCVEGCSA-N 1 0 334.332 1.813 20 5 EDBDRO CN(C(=O)CN1CC[C@H](C[NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000150762987 441945553 /nfs/dbraw/zinc/94/55/53/441945553.db2.gz MSZZTHIFLLKDSU-OAHLLOKOSA-N 1 0 346.431 1.975 20 5 EDBDRO Cc1cnc(NCCCC[NH+]2CCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000078663664 441960429 /nfs/dbraw/zinc/96/04/29/441960429.db2.gz DXDYYBSXQZESIW-UHFFFAOYSA-N 1 0 337.424 1.100 20 5 EDBDRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000125108318 441985281 /nfs/dbraw/zinc/98/52/81/441985281.db2.gz XTJJDFKXPCEQSD-DTWKUNHWSA-N 1 0 333.797 1.796 20 5 EDBDRO CC1(C)CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 ZINC000175392400 442054902 /nfs/dbraw/zinc/05/49/02/442054902.db2.gz JOSKIRTXCZOMDB-UHFFFAOYSA-N 1 0 329.360 1.605 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000175738634 442114268 /nfs/dbraw/zinc/11/42/68/442114268.db2.gz YKNKRMIRAXVRGD-ZDUSSCGKSA-N 1 0 338.408 1.923 20 5 EDBDRO C[NH2+]CCN(C)C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000120674430 442115360 /nfs/dbraw/zinc/11/53/60/442115360.db2.gz ZCXRMTDIEQALNX-UHFFFAOYSA-N 1 0 345.403 1.748 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000151876055 442133074 /nfs/dbraw/zinc/13/30/74/442133074.db2.gz JQVPPXBLZCBQFJ-JQWIXIFHSA-N 1 0 346.387 1.583 20 5 EDBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000163514057 442171309 /nfs/dbraw/zinc/17/13/09/442171309.db2.gz GEXHMBJZJKWMIQ-UHFFFAOYSA-N 1 0 341.433 1.913 20 5 EDBDRO Cc1ccccc1C[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176195227 442188666 /nfs/dbraw/zinc/18/86/66/442188666.db2.gz XXMMUUGWZNNQDS-UHFFFAOYSA-N 1 0 329.404 1.918 20 5 EDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000176865891 442264821 /nfs/dbraw/zinc/26/48/21/442264821.db2.gz VRUXFQQYDKGXJC-LBPRGKRZSA-N 1 0 327.356 1.821 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)cc1C ZINC000170873451 442280835 /nfs/dbraw/zinc/28/08/35/442280835.db2.gz MGBVMROHNKMVKZ-GFCCVEGCSA-N 1 0 327.406 1.536 20 5 EDBDRO CC(C)N1CC[C@H](N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000177684765 442370653 /nfs/dbraw/zinc/37/06/53/442370653.db2.gz IBIHGPQAELLKJH-JSGCOSHPSA-N 1 0 333.392 1.485 20 5 EDBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccoc1 ZINC000178006837 442401192 /nfs/dbraw/zinc/40/11/92/442401192.db2.gz XPSSDOZKQSAQND-NSHDSACASA-N 1 0 339.373 1.817 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000172029092 442401580 /nfs/dbraw/zinc/40/15/80/442401580.db2.gz IBUCNNWRAHAELS-CYBMUJFWSA-N 1 0 343.387 1.804 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)n1 ZINC000191643025 442481213 /nfs/dbraw/zinc/48/12/13/442481213.db2.gz BFJYUNDAMSOWGZ-ZDUSSCGKSA-N 1 0 335.408 1.806 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000173024191 442588142 /nfs/dbraw/zinc/58/81/42/442588142.db2.gz MNDVKCIJPLFSBX-JTQLQIEISA-N 1 0 343.380 1.497 20 5 EDBDRO C[NH+]1CCN([C@H]2CCCCN(c3ncc([N+](=O)[O-])s3)C2)CC1 ZINC000192505348 442655060 /nfs/dbraw/zinc/65/50/60/442655060.db2.gz DOGFYDLNGAKQQX-LBPRGKRZSA-N 1 0 325.438 1.658 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccc(F)cc1 ZINC000180540136 442619951 /nfs/dbraw/zinc/61/99/51/442619951.db2.gz FGNGEZSLLLIUCF-CQSZACIVSA-N 1 0 347.350 1.744 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000173237825 442629699 /nfs/dbraw/zinc/62/96/99/442629699.db2.gz VSLCCXIRZASYBI-RISCZKNCSA-N 1 0 327.406 1.556 20 5 EDBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CC(C)(C)O ZINC000186937956 442633871 /nfs/dbraw/zinc/63/38/71/442633871.db2.gz XNLSASMUAATUEV-GFCCVEGCSA-N 1 0 336.392 1.904 20 5 EDBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000193305606 442731252 /nfs/dbraw/zinc/73/12/52/442731252.db2.gz UOXKWZRGYZZGHM-SECBINFHSA-N 1 0 349.384 1.538 20 5 EDBDRO C[N@H+](CCCn1ccnc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182294772 442754159 /nfs/dbraw/zinc/75/41/59/442754159.db2.gz VWZPQOLJVFQXGB-CQSZACIVSA-N 1 0 334.376 1.553 20 5 EDBDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1C[NH3+] ZINC000246528855 442789919 /nfs/dbraw/zinc/78/99/19/442789919.db2.gz GJOQADMKFUPVPO-SKDRFNHKSA-N 1 0 347.824 1.996 20 5 EDBDRO COC[C@](C)(CCO)[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000267941490 442794614 /nfs/dbraw/zinc/79/46/14/442794614.db2.gz OFHNCJASERMAQN-HNNXBMFYSA-N 1 0 328.365 1.359 20 5 EDBDRO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246750677 442809983 /nfs/dbraw/zinc/80/99/83/442809983.db2.gz PHZGNNRCTUQMLS-CABCVRRESA-N 1 0 348.407 1.340 20 5 EDBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000265530088 442811084 /nfs/dbraw/zinc/81/10/84/442811084.db2.gz VNGPXOAHATXREV-UHFFFAOYSA-N 1 0 346.387 1.653 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[N@@H+]1C1CC1 ZINC000268040695 442826811 /nfs/dbraw/zinc/82/68/11/442826811.db2.gz XYIVZYCXSAIJHW-GHMZBOCLSA-N 1 0 337.351 1.854 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000268124161 442857961 /nfs/dbraw/zinc/85/79/61/442857961.db2.gz AKFTUQDKYVLLLO-SMDDNHRTSA-N 1 0 334.376 1.250 20 5 EDBDRO COc1ccc(CNC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268143696 442867542 /nfs/dbraw/zinc/86/75/42/442867542.db2.gz RTFCLHRKHSVHNL-FZMZJTMJSA-N 1 0 348.403 1.885 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000248454777 442893463 /nfs/dbraw/zinc/89/34/63/442893463.db2.gz KMCXJCBKADFUHR-UKRRQHHQSA-N 1 0 336.388 1.835 20 5 EDBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000194492378 442906462 /nfs/dbraw/zinc/90/64/62/442906462.db2.gz AGGNRMQXVPJWSS-CQSZACIVSA-N 1 0 331.376 1.080 20 5 EDBDRO CCC[C@]1(COC)CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248757898 442924032 /nfs/dbraw/zinc/92/40/32/442924032.db2.gz XCLKCRSSVDUFTP-HUUCEWRRSA-N 1 0 326.397 1.433 20 5 EDBDRO COc1cc(S(=O)(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000268299891 442937532 /nfs/dbraw/zinc/93/75/32/442937532.db2.gz XXHRNGYNJUIAHZ-GXFFZTMASA-N 1 0 343.405 1.174 20 5 EDBDRO COC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000189402193 442941996 /nfs/dbraw/zinc/94/19/96/442941996.db2.gz DKOJTWWFHIMAAK-IUODEOHRSA-N 1 0 337.376 1.659 20 5 EDBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000189447596 442956127 /nfs/dbraw/zinc/95/61/27/442956127.db2.gz VOMNQVAIMFWSFY-YPKPFQOOSA-N 1 0 333.388 1.837 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000249188901 442958782 /nfs/dbraw/zinc/95/87/82/442958782.db2.gz OUJIXROEIAPZCU-TZMCWYRMSA-N 1 0 348.403 1.640 20 5 EDBDRO COCCO[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000189676508 442992452 /nfs/dbraw/zinc/99/24/52/442992452.db2.gz NIMIJSCSLIFARR-OAHLLOKOSA-N 1 0 337.376 1.661 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000249604921 442995169 /nfs/dbraw/zinc/99/51/69/442995169.db2.gz ZJKJEAFMQGHDEA-ABAIWWIYSA-N 1 0 348.403 1.818 20 5 EDBDRO CCC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000266044534 442998183 /nfs/dbraw/zinc/99/81/83/442998183.db2.gz WYISWBCIGAQSSZ-AWEZNQCLSA-N 1 0 326.393 1.817 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184604089 443047361 /nfs/dbraw/zinc/04/73/61/443047361.db2.gz CBZAQWNKMRDLMX-CYBMUJFWSA-N 1 0 341.433 1.698 20 5 EDBDRO C[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000184660146 443056413 /nfs/dbraw/zinc/05/64/13/443056413.db2.gz RUPJQAGPCOWYKZ-GFCCVEGCSA-N 1 0 343.449 1.991 20 5 EDBDRO CN1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000266346215 443102929 /nfs/dbraw/zinc/10/29/29/443102929.db2.gz IURFRHFKHNJMEI-GFCCVEGCSA-N 1 0 336.348 1.294 20 5 EDBDRO CS(=O)(=O)c1cccc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC000262435342 443194128 /nfs/dbraw/zinc/19/41/28/443194128.db2.gz GIIFXZRDPZFFCE-GHMZBOCLSA-N 1 0 325.390 1.044 20 5 EDBDRO CC(C)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(N)=O ZINC000185160720 443150822 /nfs/dbraw/zinc/15/08/22/443150822.db2.gz WQZAVQWLUCURMI-UHFFFAOYSA-N 1 0 326.328 1.258 20 5 EDBDRO CCOc1cccc(N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1[N+](=O)[O-] ZINC000261619391 443161423 /nfs/dbraw/zinc/16/14/23/443161423.db2.gz FXEBTTCQCFJBMY-GFCCVEGCSA-N 1 0 336.392 1.285 20 5 EDBDRO CNc1nc(-c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000351100885 319092835 /nfs/dbraw/zinc/09/28/35/319092835.db2.gz ZHNXXOMSFXUOSP-CABZTGNLSA-N 1 0 346.347 1.617 20 5 EDBDRO CCc1[nH]nc(-c2nc(CC3=[NH+][C@H]4CCCC[C@@H]4N3)no2)c1[N+](=O)[O-] ZINC000351302512 319099974 /nfs/dbraw/zinc/09/99/74/319099974.db2.gz UOBMRUJFKDPHCY-UWVGGRQHSA-N 1 0 345.363 1.786 20 5 EDBDRO C[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000269249013 443250277 /nfs/dbraw/zinc/25/02/77/443250277.db2.gz ZKPCNPYXKBFPRC-DGCLKSJQSA-N 1 0 344.375 1.293 20 5 EDBDRO COc1ccc(S(=O)(=O)NCCC[NH2+]C(C)C)c([N+](=O)[O-])c1 ZINC000386170591 319129216 /nfs/dbraw/zinc/12/92/16/319129216.db2.gz DGNIEDZCSBQHSG-UHFFFAOYSA-N 1 0 331.394 1.270 20 5 EDBDRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000397325859 319133997 /nfs/dbraw/zinc/13/39/97/319133997.db2.gz VCGQQMPQVQKKBU-WOPDTQHZSA-N 1 0 327.406 1.589 20 5 EDBDRO C[C@@H]1C[C@H](C)N(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000397421373 319134817 /nfs/dbraw/zinc/13/48/17/319134817.db2.gz UWOXNBKGLNSNBT-MBNYWOFBSA-N 1 0 341.433 1.730 20 5 EDBDRO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000412879512 319247316 /nfs/dbraw/zinc/24/73/16/319247316.db2.gz PHYVQANVIQWEGI-CYBMUJFWSA-N 1 0 329.360 1.605 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000414662897 319338333 /nfs/dbraw/zinc/33/83/33/319338333.db2.gz RNPSBDZVGRNJQP-CQSZACIVSA-N 1 0 333.392 1.415 20 5 EDBDRO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185987861 443294462 /nfs/dbraw/zinc/29/44/62/443294462.db2.gz UQQHHODJJLPWSI-CQSZACIVSA-N 1 0 341.433 1.994 20 5 EDBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185860205 443270753 /nfs/dbraw/zinc/27/07/53/443270753.db2.gz IXYQWMAMPFPREW-ZDUSSCGKSA-N 1 0 341.433 1.947 20 5 EDBDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)nc2)C1 ZINC000269415647 443306963 /nfs/dbraw/zinc/30/69/63/443306963.db2.gz IRUKPKHNYOORTQ-GFCCVEGCSA-N 1 0 345.359 1.975 20 5 EDBDRO C[NH+]1CCC(O)(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000267079820 443334789 /nfs/dbraw/zinc/33/47/89/443334789.db2.gz JAGZZPCFVGBHGC-UHFFFAOYSA-N 1 0 332.360 1.263 20 5 EDBDRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278461967 443339501 /nfs/dbraw/zinc/33/95/01/443339501.db2.gz MRAKQVBBTDAAQV-GFCCVEGCSA-N 1 0 332.408 1.909 20 5 EDBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264695845 443378566 /nfs/dbraw/zinc/37/85/66/443378566.db2.gz CBNYFGWNSXJJRH-LBPRGKRZSA-N 1 0 331.376 1.052 20 5 EDBDRO CCCNC(=O)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269662210 443385131 /nfs/dbraw/zinc/38/51/31/443385131.db2.gz QSMKRBHYMBEDQI-MRXNPFEDSA-N 1 0 335.404 1.866 20 5 EDBDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000269573269 443351906 /nfs/dbraw/zinc/35/19/06/443351906.db2.gz IUMVHXZNTHCLKS-ZDUSSCGKSA-N 1 0 346.387 1.653 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2noc(CN3C[C@H]4CCC[C@@H](C3)[NH2+]4)n2)c1 ZINC000420384432 319613781 /nfs/dbraw/zinc/61/37/81/319613781.db2.gz DTDNGQSMZJFSBA-BETUJISGSA-N 1 0 329.360 1.971 20 5 EDBDRO O=C(Nc1ccncc1[N+](=O)[O-])NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000272644584 443394033 /nfs/dbraw/zinc/39/40/33/443394033.db2.gz CXYQLEUIZXMJOF-ZFWWWQNUSA-N 1 0 349.391 1.489 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000422733944 319734985 /nfs/dbraw/zinc/73/49/85/319734985.db2.gz SATCHZMLKSSBHK-IUODEOHRSA-N 1 0 348.403 1.361 20 5 EDBDRO C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000423037909 319748490 /nfs/dbraw/zinc/74/84/90/319748490.db2.gz NNFDBNPHWGKAKU-RISCZKNCSA-N 1 0 327.406 1.099 20 5 EDBDRO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CC[NH2+]C1 ZINC000272980781 443509669 /nfs/dbraw/zinc/50/96/69/443509669.db2.gz CYNNQOMXWPAATC-LLVKDONJSA-N 1 0 348.359 1.009 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423596049 319789477 /nfs/dbraw/zinc/78/94/77/319789477.db2.gz RANZMXWYZFTPCV-OLZOCXBDSA-N 1 0 335.360 1.771 20 5 EDBDRO C[N@H+](CCO)C1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000272426132 443621673 /nfs/dbraw/zinc/62/16/73/443621673.db2.gz YDVHTHIMKAINCF-UHFFFAOYSA-N 1 0 346.387 1.605 20 5 EDBDRO COCCC[N@H+](CCOC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283535951 443656195 /nfs/dbraw/zinc/65/61/95/443656195.db2.gz OCBJWXUVUQBANG-UHFFFAOYSA-N 1 0 339.392 1.908 20 5 EDBDRO C[NH2+]CCC1CCN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000440845476 320083132 /nfs/dbraw/zinc/08/31/32/320083132.db2.gz LGTBSQCWWAIPQS-UHFFFAOYSA-N 1 0 341.433 1.913 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000440845198 320083175 /nfs/dbraw/zinc/08/31/75/320083175.db2.gz OBVVQTSKSQSYHZ-RYUDHWBXSA-N 1 0 327.406 1.569 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000449415961 320189602 /nfs/dbraw/zinc/18/96/02/320189602.db2.gz QPNZXOHDXWVKBL-CQSZACIVSA-N 1 0 338.360 1.804 20 5 EDBDRO COc1nccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000453262506 320261294 /nfs/dbraw/zinc/26/12/94/320261294.db2.gz SRBOPKARBUKZSH-STQMWFEESA-N 1 0 332.364 1.863 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000453405869 320263548 /nfs/dbraw/zinc/26/35/48/320263548.db2.gz QQDQZJSTOSGFJI-BDJLRTHQSA-N 1 0 334.376 1.570 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000453627777 320264964 /nfs/dbraw/zinc/26/49/64/320264964.db2.gz IGRURJDEAAFKIT-DGCLKSJQSA-N 1 0 338.360 1.804 20 5 EDBDRO COC(=O)[C@@]1(C(F)(F)F)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000286266174 443679764 /nfs/dbraw/zinc/67/97/64/443679764.db2.gz BFOUYFWMGNYLQS-LLVKDONJSA-N 1 0 336.270 1.219 20 5 EDBDRO COC(=O)c1cnc(N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000276729342 443805767 /nfs/dbraw/zinc/80/57/67/443805767.db2.gz LDTLMXMYZHYAQO-NEPJUHHUSA-N 1 0 340.405 1.258 20 5 EDBDRO CCN1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000288369676 443859098 /nfs/dbraw/zinc/85/90/98/443859098.db2.gz JTOWATWUHRJALR-JTQLQIEISA-N 1 0 336.348 1.978 20 5 EDBDRO COC(=O)c1cc(NC(=O)N(C)CC[NH+](C)C)c(C)c([N+](=O)[O-])c1 ZINC000277234491 443944941 /nfs/dbraw/zinc/94/49/41/443944941.db2.gz ONWROTQNCZSVOQ-UHFFFAOYSA-N 1 0 338.364 1.715 20 5 EDBDRO CCNC(=O)[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000293240917 443960035 /nfs/dbraw/zinc/96/00/35/443960035.db2.gz LITLQFJWIVHSIC-INIZCTEOSA-N 1 0 348.403 1.234 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000299305629 444011823 /nfs/dbraw/zinc/01/18/23/444011823.db2.gz DEJSNTOXMOTWOW-CYBMUJFWSA-N 1 0 334.420 1.517 20 5 EDBDRO Cc1[nH]nc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)c1[N+](=O)[O-] ZINC000564932750 321158651 /nfs/dbraw/zinc/15/86/51/321158651.db2.gz FMJOQQMKKYINHG-UHFFFAOYSA-N 1 0 336.377 1.802 20 5 EDBDRO COc1ccc(CC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000564933315 321158909 /nfs/dbraw/zinc/15/89/09/321158909.db2.gz JCJDSFOEXUHHBO-OAHLLOKOSA-N 1 0 347.415 1.994 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000564967926 321160890 /nfs/dbraw/zinc/16/08/90/321160890.db2.gz WECPRYABXPQPMU-PWSUYJOCSA-N 1 0 327.406 1.515 20 5 EDBDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000565805751 321201200 /nfs/dbraw/zinc/20/12/00/321201200.db2.gz AUIYQZXPQHTNIR-CYBMUJFWSA-N 1 0 348.403 1.841 20 5 EDBDRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000568984988 321312925 /nfs/dbraw/zinc/31/29/25/321312925.db2.gz WMGFXRIDAHONJS-ZDUSSCGKSA-N 1 0 327.406 1.138 20 5 EDBDRO Cc1c(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cnn1C ZINC000569068283 321317204 /nfs/dbraw/zinc/31/72/04/321317204.db2.gz WXRCNUBSRRDFSB-OAHLLOKOSA-N 1 0 334.376 1.508 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1cccc(CO)c1 ZINC000569095857 321318731 /nfs/dbraw/zinc/31/87/31/321318731.db2.gz ZPHACVUTZJPXPH-HNNXBMFYSA-N 1 0 332.356 1.617 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N(C)CCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000569274167 321323523 /nfs/dbraw/zinc/32/35/23/321323523.db2.gz DFGDTCGYEHKJDL-UHFFFAOYSA-N 1 0 337.376 1.795 20 5 EDBDRO Cc1cccc2c(CC[NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)c[nH]c21 ZINC000571515741 321389884 /nfs/dbraw/zinc/38/98/84/321389884.db2.gz AHUVSXQLEOASJZ-HNNXBMFYSA-N 1 0 343.387 1.774 20 5 EDBDRO COc1ccc(CC(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000571550879 321391614 /nfs/dbraw/zinc/39/16/14/321391614.db2.gz IWCCMKHUTIZGLA-STQMWFEESA-N 1 0 337.376 1.111 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[C@H]2C1 ZINC000285794905 444109838 /nfs/dbraw/zinc/10/98/38/444109838.db2.gz NSOXONOSLRPFOT-GJZGRUSLSA-N 1 0 344.371 1.621 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[C@@H]2C1 ZINC000285794915 444110331 /nfs/dbraw/zinc/11/03/31/444110331.db2.gz NSOXONOSLRPFOT-HUUCEWRRSA-N 1 0 344.371 1.621 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000282280815 444135711 /nfs/dbraw/zinc/13/57/11/444135711.db2.gz KYZGZEIRPPBBHY-UHIISALHSA-N 1 0 334.376 1.569 20 5 EDBDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000294693516 444137162 /nfs/dbraw/zinc/13/71/62/444137162.db2.gz QLXQUQAGSUBBFH-KGMNCQPJSA-N 1 0 333.388 1.522 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000301258018 444158561 /nfs/dbraw/zinc/15/85/61/444158561.db2.gz ARDAYSRGLZUTMM-DGCLKSJQSA-N 1 0 343.391 1.685 20 5 EDBDRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000301258024 444158613 /nfs/dbraw/zinc/15/86/13/444158613.db2.gz ARDAYSRGLZUTMM-WCQYABFASA-N 1 0 343.391 1.685 20 5 EDBDRO Cc1c(CO)cc([N+](=O)[O-])c(N2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000301258292 444158690 /nfs/dbraw/zinc/15/86/90/444158690.db2.gz OBBXXWVLDAFLAY-LBPRGKRZSA-N 1 0 338.364 1.834 20 5 EDBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000295178005 444168477 /nfs/dbraw/zinc/16/84/77/444168477.db2.gz HBFYZBIYADAQQI-MSRIBSCDSA-N 1 0 325.752 1.351 20 5 EDBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000289833818 444209284 /nfs/dbraw/zinc/20/92/84/444209284.db2.gz BKMYIHBJPUPJLR-KGLIPLIRSA-N 1 0 341.371 1.462 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301542874 444178718 /nfs/dbraw/zinc/17/87/18/444178718.db2.gz NZZPMCFYGWHGBR-VXGBXAGGSA-N 1 0 331.376 1.379 20 5 EDBDRO Cc1nn(C)c(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1[N+](=O)[O-] ZINC000301856941 444193835 /nfs/dbraw/zinc/19/38/35/444193835.db2.gz ROCDVZWTLCHUAK-YIONKMFJSA-N 1 0 348.451 1.384 20 5 EDBDRO O=C(C[N@H+]1CCC[C@H]1CCCO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000304327681 444247298 /nfs/dbraw/zinc/24/72/98/444247298.db2.gz QQABIEYAUKYAEY-AWEZNQCLSA-N 1 0 333.388 1.721 20 5 EDBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCO[C@@H](C[NH+](C)C)C1 ZINC000297094151 444273328 /nfs/dbraw/zinc/27/33/28/444273328.db2.gz KSVCJTDHMIXCCT-ZDUSSCGKSA-N 1 0 346.387 1.918 20 5 EDBDRO Cc1c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000290233579 444256951 /nfs/dbraw/zinc/25/69/51/444256951.db2.gz UUQYWZWBQBAAHF-QWRGUYRKSA-N 1 0 334.332 1.493 20 5 EDBDRO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)NC(=O)NC1=O ZINC000289985370 444226969 /nfs/dbraw/zinc/22/69/69/444226969.db2.gz ZYBBTGRRRNZLEK-CZUORRHYSA-N 1 0 332.360 1.547 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000290056400 444236477 /nfs/dbraw/zinc/23/64/77/444236477.db2.gz IKCRKNVQZDHIEA-UHFFFAOYSA-N 1 0 326.372 1.347 20 5 EDBDRO C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000290752335 444318845 /nfs/dbraw/zinc/31/88/45/444318845.db2.gz SQPSGFLZKJAKQN-CZUORRHYSA-N 1 0 348.403 1.599 20 5 EDBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[N@H+](CCO)CC1 ZINC000297104263 444274749 /nfs/dbraw/zinc/27/47/49/444274749.db2.gz LJWQFVCIZUIMDW-UHFFFAOYSA-N 1 0 346.387 1.656 20 5 EDBDRO C[NH+](C)[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000290534871 444292743 /nfs/dbraw/zinc/29/27/43/444292743.db2.gz OMWXXABGHISZTG-CYBMUJFWSA-N 1 0 347.350 1.943 20 5 EDBDRO CC(C)(O)C[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000323591565 444343815 /nfs/dbraw/zinc/34/38/15/444343815.db2.gz GEDBPTKXLAJSRY-UHFFFAOYSA-N 1 0 337.405 1.492 20 5 EDBDRO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330997599 444352725 /nfs/dbraw/zinc/35/27/25/444352725.db2.gz VEOMLXSEXPUJDR-GHMZBOCLSA-N 1 0 336.314 1.815 20 5 EDBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000325824595 444369466 /nfs/dbraw/zinc/36/94/66/444369466.db2.gz NMVQZMTXEACMEE-ZIAGYGMSSA-N 1 0 336.348 1.456 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000331140530 444413419 /nfs/dbraw/zinc/41/34/19/444413419.db2.gz LXMYWEKSKHGLAK-OAHLLOKOSA-N 1 0 349.387 1.794 20 5 EDBDRO COc1cc(C(=O)N(C)C2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000298150089 444430361 /nfs/dbraw/zinc/43/03/61/444430361.db2.gz VCBCWWYGGMVZJA-UHFFFAOYSA-N 1 0 337.376 1.778 20 5 EDBDRO CCc1cnc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000579703262 321962835 /nfs/dbraw/zinc/96/28/35/321962835.db2.gz HIVSLGQXLXQFRQ-NSHDSACASA-N 1 0 325.394 1.003 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000580182416 322019482 /nfs/dbraw/zinc/01/94/82/322019482.db2.gz UCAWYFJITLWGFS-LLVKDONJSA-N 1 0 333.344 1.333 20 5 EDBDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC2(CCC2)O1 ZINC000580442863 322052260 /nfs/dbraw/zinc/05/22/60/322052260.db2.gz WRMAYROLCDKYMQ-UKRRQHHQSA-N 1 0 336.388 1.978 20 5 EDBDRO CN1CCO[C@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000342150905 444535738 /nfs/dbraw/zinc/53/57/38/444535738.db2.gz JMAFNTJEPNCJRZ-HOTGVXAUSA-N 1 0 348.403 1.328 20 5 EDBDRO Cn1cc([C@@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000342142279 444530526 /nfs/dbraw/zinc/53/05/26/444530526.db2.gz ZSQOJCBNWBEUMU-HNNXBMFYSA-N 1 0 331.376 1.717 20 5 EDBDRO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000340878582 444555234 /nfs/dbraw/zinc/55/52/34/444555234.db2.gz JBDANTBNJVTVPK-CABZTGNLSA-N 1 0 347.824 1.819 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000340995780 444621365 /nfs/dbraw/zinc/62/13/65/444621365.db2.gz RYEQRMWQJADIRC-OCCSQVGLSA-N 1 0 335.408 1.789 20 5 EDBDRO CO[C@H]1C[C@H](CN(C)c2nc(-c3ccc([N+](=O)[O-])cc3)no2)[N@H+](C)C1 ZINC000343873189 444639437 /nfs/dbraw/zinc/63/94/37/444639437.db2.gz HIZJYRRJZHNFTK-KGLIPLIRSA-N 1 0 347.375 1.800 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344027404 444736565 /nfs/dbraw/zinc/73/65/65/444736565.db2.gz LGOPOAHUOJQJBO-NOLJZWGESA-N 1 0 333.388 1.935 20 5 EDBDRO CC1(C)NC(=O)CC[C@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000338595643 444764622 /nfs/dbraw/zinc/76/46/22/444764622.db2.gz ACYKOXPYBUWXLN-ZIAGYGMSSA-N 1 0 346.387 1.347 20 5 EDBDRO C[C@@H]([NH2+][C@@H]1CCC(=O)NC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000338597362 444766884 /nfs/dbraw/zinc/76/68/84/444766884.db2.gz LKOGWXRRFNPDTD-ZWNOBZJWSA-N 1 0 334.376 1.569 20 5 EDBDRO C[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[N@@H+]1CCC[C@H](C)C1 ZINC000338671237 444801858 /nfs/dbraw/zinc/80/18/58/444801858.db2.gz BRFYSAUNASLNOH-QWHCGFSZSA-N 1 0 337.424 1.763 20 5 EDBDRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000337294637 445020144 /nfs/dbraw/zinc/02/01/44/445020144.db2.gz NLYYDEJVGMRGPB-BXUZGUMPSA-N 1 0 345.396 1.541 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000337304769 445024621 /nfs/dbraw/zinc/02/46/21/445024621.db2.gz QVBRGYCNMDBPEH-UKRRQHHQSA-N 1 0 341.433 1.711 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NCC2=CC[N@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC000343288850 445182117 /nfs/dbraw/zinc/18/21/17/445182117.db2.gz ALWPRBVNBDVZKP-UHFFFAOYSA-N 1 0 347.371 1.763 20 5 EDBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@H](O)C[NH+]3CCCCC3)c21 ZINC000347415285 445237936 /nfs/dbraw/zinc/23/79/36/445237936.db2.gz VTBWHFNDQDUOCK-LBPRGKRZSA-N 1 0 331.376 1.797 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000343624864 445268153 /nfs/dbraw/zinc/26/81/53/445268153.db2.gz MTVAEBUATOWVFS-RISCZKNCSA-N 1 0 336.392 1.885 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000343624865 445268369 /nfs/dbraw/zinc/26/83/69/445268369.db2.gz MTVAEBUATOWVFS-SMDDNHRTSA-N 1 0 336.392 1.885 20 5 EDBDRO Cc1nc(NC2CC[NH+](CCC(=O)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000348356096 445265799 /nfs/dbraw/zinc/26/57/99/445265799.db2.gz WGCDJRUGMDMDFI-UHFFFAOYSA-N 1 0 335.408 1.653 20 5 EDBDRO COc1ccc(CNC(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343644879 445279163 /nfs/dbraw/zinc/27/91/63/445279163.db2.gz BHZZOQADOJJDKG-WCQYABFASA-N 1 0 336.392 1.885 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000348146442 445288266 /nfs/dbraw/zinc/28/82/66/445288266.db2.gz FGYYPPYTKSSPGS-KGLIPLIRSA-N 1 0 334.376 1.428 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357092241 445423741 /nfs/dbraw/zinc/42/37/41/445423741.db2.gz UDSXKXZPDRDDMV-YNEHKIRRSA-N 1 0 348.403 1.472 20 5 EDBDRO C[C@@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C)C[N@@H+]1C ZINC000352013730 445438081 /nfs/dbraw/zinc/43/80/81/445438081.db2.gz KHESCISAJDFQNU-NEPJUHHUSA-N 1 0 349.387 1.460 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H](CO)C3CCOCC3)n2)cc1 ZINC000359871541 445468691 /nfs/dbraw/zinc/46/86/91/445468691.db2.gz IZBWZWCYTWQHEK-AWEZNQCLSA-N 1 0 348.359 1.522 20 5 EDBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000352128268 445511074 /nfs/dbraw/zinc/51/10/74/445511074.db2.gz BXCSJLGVVOEQGX-KRWDZBQOSA-N 1 0 346.387 1.576 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000359988921 445517086 /nfs/dbraw/zinc/51/70/86/445517086.db2.gz ZCNNYERHFWSIPW-QWHCGFSZSA-N 1 0 339.417 1.570 20 5 EDBDRO C[C@@H]1C[C@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[N@@H+]1C ZINC000352308161 445518777 /nfs/dbraw/zinc/51/87/77/445518777.db2.gz XCHGTWMHOJPHOG-HUUCEWRRSA-N 1 0 346.431 1.974 20 5 EDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000360006262 445524106 /nfs/dbraw/zinc/52/41/06/445524106.db2.gz LJXWZFYRCXLINR-GJZGRUSLSA-N 1 0 339.417 1.402 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000356138878 445641922 /nfs/dbraw/zinc/64/19/22/445641922.db2.gz DRUCAUMBXOFQPW-OAHLLOKOSA-N 1 0 343.387 1.895 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000360209713 445630538 /nfs/dbraw/zinc/63/05/38/445630538.db2.gz RJOYJWVSWOUHBX-GFCCVEGCSA-N 1 0 335.339 1.500 20 5 EDBDRO C[C@H]1[C@@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CCC[N@@H+]1C ZINC000357944218 445595182 /nfs/dbraw/zinc/59/51/82/445595182.db2.gz UQGUHAUXIYMGNR-WFASDCNBSA-N 1 0 348.403 1.982 20 5 EDBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000360264062 445664799 /nfs/dbraw/zinc/66/47/99/445664799.db2.gz DTIZYPUXGDGLMV-UHFFFAOYSA-N 1 0 329.422 1.913 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000360927955 445739900 /nfs/dbraw/zinc/73/99/00/445739900.db2.gz QOLDHEBVWHIPQY-BPNCWPANSA-N 1 0 332.360 1.252 20 5 EDBDRO CCc1nc(CN2CCCN(C(=O)[C@H]3C[C@@H]3[N+](=O)[O-])CC2)cs1 ZINC000363491525 445828243 /nfs/dbraw/zinc/82/82/43/445828243.db2.gz XBXRYNJBNSCDML-STQMWFEESA-N 1 0 338.433 1.405 20 5 EDBDRO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000361553980 445816155 /nfs/dbraw/zinc/81/61/55/445816155.db2.gz DHQMMWSRNBMJFY-IAGOWNOFSA-N 1 0 331.416 1.988 20 5 EDBDRO Cc1c(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000372889783 445906070 /nfs/dbraw/zinc/90/60/70/445906070.db2.gz IKYUXRCUMMURPO-GXFFZTMASA-N 1 0 334.332 1.635 20 5 EDBDRO C[C@H](CO)[N@@H+]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000364958016 445970370 /nfs/dbraw/zinc/97/03/70/445970370.db2.gz YJXRWFGMVBWAFL-GFCCVEGCSA-N 1 0 348.403 1.372 20 5 EDBDRO COC(=O)c1cnc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000365057817 445998725 /nfs/dbraw/zinc/99/87/25/445998725.db2.gz BPXBKTXTVRQWDS-RYUDHWBXSA-N 1 0 336.348 1.052 20 5 EDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000359208818 446038593 /nfs/dbraw/zinc/03/85/93/446038593.db2.gz ALMHRXNRQKSGSI-GFCCVEGCSA-N 1 0 337.376 1.826 20 5 EDBDRO Cc1c(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000369275055 446039625 /nfs/dbraw/zinc/03/96/25/446039625.db2.gz VACNYKHRQFBNDR-AWEZNQCLSA-N 1 0 346.431 1.802 20 5 EDBDRO C[C@@H](O)CC(C)(C)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000583989774 326178691 /nfs/dbraw/zinc/17/86/91/326178691.db2.gz PPPNYLWRMTUKQM-TZMCWYRMSA-N 1 0 326.393 1.721 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000373173138 446072276 /nfs/dbraw/zinc/07/22/76/446072276.db2.gz MOKSZXCTWLGPOO-RTCCRHLQSA-N 1 0 341.389 1.246 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@@H]12 ZINC000351476535 446076809 /nfs/dbraw/zinc/07/68/09/446076809.db2.gz LAHOEYFIZSAGOT-BPLDGKMQSA-N 1 0 330.388 1.153 20 5 EDBDRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000351504390 446110328 /nfs/dbraw/zinc/11/03/28/446110328.db2.gz VZLWNQWNQMBUAC-UHFFFAOYSA-N 1 0 338.339 1.273 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365295211 446131571 /nfs/dbraw/zinc/13/15/71/446131571.db2.gz KXFFDSKVPAYYPX-GXTWGEPZSA-N 1 0 339.417 1.584 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000366427529 446208854 /nfs/dbraw/zinc/20/88/54/446208854.db2.gz IWIZRCNZTIOKEU-VBNZEHGJSA-N 1 0 348.403 1.622 20 5 EDBDRO COc1ccc(OCC[N@H+](C)[C@]2(CO)CCOC2)c([N+](=O)[O-])c1 ZINC000359577108 446301050 /nfs/dbraw/zinc/30/10/50/446301050.db2.gz GHYLISCGKDMXMU-HNNXBMFYSA-N 1 0 326.349 1.065 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000370545820 446326158 /nfs/dbraw/zinc/32/61/58/446326158.db2.gz IQJQCGDHQWUTBC-IRXDYDNUSA-N 1 0 347.415 1.897 20 5 EDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000374071183 446350426 /nfs/dbraw/zinc/35/04/26/446350426.db2.gz YCLQEYNJULMRSU-IIAWOOMASA-N 1 0 336.388 1.835 20 5 EDBDRO Cc1nnc([C@H]2CC23CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC3)o1 ZINC000365840296 446365551 /nfs/dbraw/zinc/36/55/51/446365551.db2.gz MJYJFZBYISUCAI-GFCCVEGCSA-N 1 0 332.364 1.752 20 5 EDBDRO C[C@@H]1CN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000420245404 446428468 /nfs/dbraw/zinc/42/84/68/446428468.db2.gz ZRVODTXDOCELPC-OLZOCXBDSA-N 1 0 348.403 1.254 20 5 EDBDRO CC1(C)CCC[NH2+][C@H]1CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000420245539 446429479 /nfs/dbraw/zinc/42/94/79/446429479.db2.gz QQFPLIFMWXHKIH-ZDUSSCGKSA-N 1 0 342.421 1.432 20 5 EDBDRO C[NH2+][C@H](C)CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000420249983 446431693 /nfs/dbraw/zinc/43/16/93/446431693.db2.gz YOGIZKWBGAEWRL-LLVKDONJSA-N 1 0 342.421 1.399 20 5 EDBDRO COCC(C)(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411231400 446434058 /nfs/dbraw/zinc/43/40/58/446434058.db2.gz RHJYBFHWKYSHIY-UHFFFAOYSA-N 1 0 325.365 1.947 20 5 EDBDRO [NH3+]C1(CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCCC1 ZINC000418084609 446435911 /nfs/dbraw/zinc/43/59/11/446435911.db2.gz QSYPIBUSCKXYDL-UHFFFAOYSA-N 1 0 346.391 1.932 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418085752 446436120 /nfs/dbraw/zinc/43/61/20/446436120.db2.gz WPGRHERGXNBSOR-ONGXEEELSA-N 1 0 332.364 1.268 20 5 EDBDRO CC(C)NC(=O)c1ccc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000420266318 446439701 /nfs/dbraw/zinc/43/97/01/446439701.db2.gz VSJBZZGTPCRXNH-UONOGXRCSA-N 1 0 332.404 1.779 20 5 EDBDRO C[C@@H](NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1[N+](=O)[O-] ZINC000417977778 446406018 /nfs/dbraw/zinc/40/60/18/446406018.db2.gz HNNMZVLMAREQOD-KGLIPLIRSA-N 1 0 347.419 1.345 20 5 EDBDRO C[C@H]1[NH2+]CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000420301716 446464346 /nfs/dbraw/zinc/46/43/46/446464346.db2.gz AVKSJBGUYLSRLH-VXGBXAGGSA-N 1 0 327.406 1.051 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000432519231 446478316 /nfs/dbraw/zinc/47/83/16/446478316.db2.gz ZRDHJBAAWYVJMN-PWSUYJOCSA-N 1 0 335.360 1.023 20 5 EDBDRO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000420439208 446614812 /nfs/dbraw/zinc/61/48/12/446614812.db2.gz MILPDDPWRFTOOP-RNFRBKRXSA-N 1 0 341.311 1.628 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2cnc(CCN3CCO[C@@H]4C[NH2+]C[C@@H]43)o2)c1 ZINC000420400439 446573204 /nfs/dbraw/zinc/57/32/04/446573204.db2.gz JKPPSKIQMNRZDO-GOEBONIOSA-N 1 0 344.371 1.465 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000411547521 446597135 /nfs/dbraw/zinc/59/71/35/446597135.db2.gz DBSJDWQNEIAFES-LBPRGKRZSA-N 1 0 336.392 1.687 20 5 EDBDRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420466458 446643305 /nfs/dbraw/zinc/64/33/05/446643305.db2.gz WDSLTRDFORPSCU-UKRRQHHQSA-N 1 0 341.433 1.574 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000375239604 446663392 /nfs/dbraw/zinc/66/33/92/446663392.db2.gz NOOJYIXNMADGEL-PBHICJAKSA-N 1 0 344.415 1.510 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)c1C ZINC000420451907 446627145 /nfs/dbraw/zinc/62/71/45/446627145.db2.gz RISTXRHNCMRMQW-GFCCVEGCSA-N 1 0 327.406 1.632 20 5 EDBDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418778943 446697015 /nfs/dbraw/zinc/69/70/15/446697015.db2.gz JIOHBKWEAXQEKX-AAEUAGOBSA-N 1 0 336.392 1.406 20 5 EDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418788642 446704133 /nfs/dbraw/zinc/70/41/33/446704133.db2.gz LAGMNPOALGIZCE-HNNXBMFYSA-N 1 0 336.392 1.157 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1 ZINC000420739469 446783333 /nfs/dbraw/zinc/78/33/33/446783333.db2.gz PLMHNLKREPYBEB-CYBMUJFWSA-N 1 0 341.433 1.926 20 5 EDBDRO O=C1[C@H]([N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000412031491 446792457 /nfs/dbraw/zinc/79/24/57/446792457.db2.gz ATOSAHQUFSEMCL-MGBSGCIJSA-N 1 0 345.399 1.793 20 5 EDBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000412067535 446829516 /nfs/dbraw/zinc/82/95/16/446829516.db2.gz DTXSBARSWLRTPT-OLZOCXBDSA-N 1 0 349.387 1.986 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423974539 446802104 /nfs/dbraw/zinc/80/21/04/446802104.db2.gz IQERNMDZXLXKNN-PIGZYNQJSA-N 1 0 349.387 1.828 20 5 EDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCc2cccnc21 ZINC000375570321 446897692 /nfs/dbraw/zinc/89/76/92/446897692.db2.gz YHZWOIAHOXRPOC-GJZGRUSLSA-N 1 0 331.376 1.557 20 5 EDBDRO C[N@@H+]1CCN(CCNc2ncc([N+](=O)[O-])s2)[C@@H](c2ccccc2)C1 ZINC000375585831 446907934 /nfs/dbraw/zinc/90/79/34/446907934.db2.gz VJCGSQZHXWEOOQ-CQSZACIVSA-N 1 0 347.444 2.452 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)ccc1[N+](=O)[O-] ZINC000377134819 446942342 /nfs/dbraw/zinc/94/23/42/446942342.db2.gz UXDVNRGDSSWKPM-RDJZCZTQSA-N 1 0 349.387 1.712 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000419163191 446980245 /nfs/dbraw/zinc/98/02/45/446980245.db2.gz LCMXCKMCTQCQBT-BYCMXARLSA-N 1 0 348.403 1.276 20 5 EDBDRO CC[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000419173000 446988022 /nfs/dbraw/zinc/98/80/22/446988022.db2.gz UWWAQQSOGXCIGH-JSGCOSHPSA-N 1 0 334.376 1.030 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2Cn2cccn2)c([N+](=O)[O-])c1 ZINC000368688151 447038024 /nfs/dbraw/zinc/03/80/24/447038024.db2.gz HSUXNAMTUGSPFS-OAHLLOKOSA-N 1 0 343.387 1.945 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000419275635 447049248 /nfs/dbraw/zinc/04/92/48/447049248.db2.gz SGJQNCHBQXWAID-STQMWFEESA-N 1 0 348.403 1.148 20 5 EDBDRO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413191412 447059444 /nfs/dbraw/zinc/05/94/44/447059444.db2.gz GXCKHPIAALIRFH-MRVPVSSYSA-N 1 0 339.356 1.218 20 5 EDBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000368720350 447065740 /nfs/dbraw/zinc/06/57/40/447065740.db2.gz XPHRAZQMOGETDH-JTQLQIEISA-N 1 0 330.344 1.721 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000444388775 447100132 /nfs/dbraw/zinc/10/01/32/447100132.db2.gz YZGANHXOMRYYPT-LLVKDONJSA-N 1 0 336.392 1.215 20 5 EDBDRO C[C@@H](CO)[N@@H+]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444698216 447123702 /nfs/dbraw/zinc/12/37/02/447123702.db2.gz COCYUNKNUVAULS-LBPRGKRZSA-N 1 0 333.392 1.360 20 5 EDBDRO C[C@@H](O)C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000425446959 447167129 /nfs/dbraw/zinc/16/71/29/447167129.db2.gz PPZOLXFETCMMRF-VHSXEESVSA-N 1 0 347.209 1.921 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCSC[C@H]2C2CCC2)c1 ZINC000419362693 447125776 /nfs/dbraw/zinc/12/57/76/447125776.db2.gz OFYPAUZFQFJVFB-KGLIPLIRSA-N 1 0 326.422 1.370 20 5 EDBDRO COC(=O)c1cc(C)nc(NCC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000413432800 447179370 /nfs/dbraw/zinc/17/93/70/447179370.db2.gz CPUDWWBUTSZJDV-GFCCVEGCSA-N 1 0 336.392 2.229 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000445781628 447193948 /nfs/dbraw/zinc/19/39/48/447193948.db2.gz LBQKGBFJWVCSKC-VXGBXAGGSA-N 1 0 334.376 1.475 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425547972 447224260 /nfs/dbraw/zinc/22/42/60/447224260.db2.gz MSNVULNPGPDSIM-LBPRGKRZSA-N 1 0 344.375 1.839 20 5 EDBDRO CNc1nc(C(=O)NC2CC([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000456022762 447286977 /nfs/dbraw/zinc/28/69/77/447286977.db2.gz IUDPLXMLELKUAI-UHFFFAOYSA-N 1 0 333.392 1.778 20 5 EDBDRO CCOc1cc(CN2CCC[N@@H+]([C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000372807017 447294541 /nfs/dbraw/zinc/29/45/41/447294541.db2.gz QSAWWTFGEFJSDR-AWEZNQCLSA-N 1 0 337.420 1.882 20 5 EDBDRO O=C(NCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccn[nH]1 ZINC000447593466 447280203 /nfs/dbraw/zinc/28/02/03/447280203.db2.gz SCVIFIJUSDWLIP-DGCLKSJQSA-N 1 0 347.379 1.018 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000415456887 447450256 /nfs/dbraw/zinc/45/02/56/447450256.db2.gz XAUHNCMZMDJSTR-QWHCGFSZSA-N 1 0 348.403 1.736 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415481990 447470859 /nfs/dbraw/zinc/47/08/59/447470859.db2.gz JYPQGGVIJTVMQH-CQSZACIVSA-N 1 0 347.419 1.723 20 5 EDBDRO C[NH+](C)CC(C)(C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000457203881 447540205 /nfs/dbraw/zinc/54/02/05/447540205.db2.gz IZNGCXIZPOGPSN-UHFFFAOYSA-N 1 0 332.360 1.919 20 5 EDBDRO Cc1c(C(=O)NC(C)(C)C[NH+](C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000457209690 447543524 /nfs/dbraw/zinc/54/35/24/447543524.db2.gz ORCQGEKLAULXPB-UHFFFAOYSA-N 1 0 346.391 1.554 20 5 EDBDRO Cc1c(CC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000416317222 447571008 /nfs/dbraw/zinc/57/10/08/447571008.db2.gz WMJOZQOVNJTDDY-OLZOCXBDSA-N 1 0 335.404 1.359 20 5 EDBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCC(O)CC2)nc1-c1ccccc1 ZINC000450869725 447600307 /nfs/dbraw/zinc/60/03/07/447600307.db2.gz OKKDMPCTFRGCRK-UHFFFAOYSA-N 1 0 342.399 2.525 20 5 EDBDRO CCN(CC)S(=O)(=O)c1ccc(N(C)[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000420191545 447663257 /nfs/dbraw/zinc/66/32/57/447663257.db2.gz RRWLDQIQKJIQMX-NSHDSACASA-N 1 0 344.437 1.409 20 5 EDBDRO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC[C@@H]1CCC[NH2+]C1 ZINC000420191211 447663332 /nfs/dbraw/zinc/66/33/32/447663332.db2.gz HLAOIAHULPATDM-JTQLQIEISA-N 1 0 328.394 1.044 20 5 EDBDRO COC(=O)[C@@H](C)NC(=O)c1ccc(NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC000420233563 447679866 /nfs/dbraw/zinc/67/98/66/447679866.db2.gz MVMAHBMNYRLEDB-SNVBAGLBSA-N 1 0 338.364 1.037 20 5 EDBDRO Cc1cc(NC[C@@H]2C[NH2+]C[C@H]2O)c(Br)cc1[N+](=O)[O-] ZINC000420242552 447684297 /nfs/dbraw/zinc/68/42/97/447684297.db2.gz BTNWQTAYNXIHGR-QPUJVOFHSA-N 1 0 330.182 1.658 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@](O)(CO)C3)o2)c1 ZINC000459634616 447727517 /nfs/dbraw/zinc/72/75/17/447727517.db2.gz OOJPUHMQNFGSBE-QGZVFWFLSA-N 1 0 347.371 1.612 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@](O)(CO)C2)cccc1[N+](=O)[O-] ZINC000459653265 447732262 /nfs/dbraw/zinc/73/22/62/447732262.db2.gz XQTDFCBLTWWBES-INIZCTEOSA-N 1 0 337.376 1.051 20 5 EDBDRO Cc1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])ccc1OCC[NH+](C)C ZINC000458223438 447748137 /nfs/dbraw/zinc/74/81/37/447748137.db2.gz WIWAIIZBARTCQJ-UHFFFAOYSA-N 1 0 333.348 1.819 20 5 EDBDRO COC(=O)c1cc(C(=O)NCC[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000422807265 447755925 /nfs/dbraw/zinc/75/59/25/447755925.db2.gz JPDWFXFYNHDZAO-LLVKDONJSA-N 1 0 335.360 1.501 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000422847380 447769017 /nfs/dbraw/zinc/76/90/17/447769017.db2.gz RIUZIIUWMMIHLE-HZMBPMFUSA-N 1 0 335.360 1.581 20 5 EDBDRO C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[NH2+]1 ZINC000423031352 447794853 /nfs/dbraw/zinc/79/48/53/447794853.db2.gz CTPAIEOZWZLIRZ-WFASDCNBSA-N 1 0 341.433 1.489 20 5 EDBDRO C[NH+](C)C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCO1 ZINC000486948395 447826820 /nfs/dbraw/zinc/82/68/20/447826820.db2.gz FPKPLAIVOLMGSN-CYBMUJFWSA-N 1 0 333.348 1.412 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000569902834 447911582 /nfs/dbraw/zinc/91/15/82/447911582.db2.gz DJILGTMSKOXJNS-JTQLQIEISA-N 1 0 327.331 1.874 20 5 EDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000524720817 447942924 /nfs/dbraw/zinc/94/29/24/447942924.db2.gz AVSXNEAAHBSBPR-CYBMUJFWSA-N 1 0 343.387 1.852 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000524040588 447914343 /nfs/dbraw/zinc/91/43/43/447914343.db2.gz KJJLJHNDKMGWFV-NSHDSACASA-N 1 0 333.344 1.634 20 5 EDBDRO O=C(NCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cnccn1 ZINC000576886366 448163003 /nfs/dbraw/zinc/16/30/03/448163003.db2.gz JZNKWTKXXKXMPS-CYBMUJFWSA-N 1 0 327.344 1.392 20 5 EDBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000514602768 448170255 /nfs/dbraw/zinc/17/02/55/448170255.db2.gz UQVRQEXVTRFJNM-ZDUSSCGKSA-N 1 0 348.403 1.242 20 5 EDBDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000571691468 448192432 /nfs/dbraw/zinc/19/24/32/448192432.db2.gz XIRZYFVZZKJWPN-UHFFFAOYSA-N 1 0 332.364 1.307 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000577178129 448227101 /nfs/dbraw/zinc/22/71/01/448227101.db2.gz NCQJHGKGZKBWDW-DZGCQCFKSA-N 1 0 346.431 1.925 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000591303902 448315217 /nfs/dbraw/zinc/31/52/17/448315217.db2.gz GHIKHWUYIRPJPI-YGRLFVJLSA-N 1 0 338.364 1.573 20 5 EDBDRO CNc1nccc(C(=O)NCCC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000565179380 448359243 /nfs/dbraw/zinc/35/92/43/448359243.db2.gz SRGJOULIRYBKJS-UHFFFAOYSA-N 1 0 349.435 2.416 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])c1 ZINC000591449351 448367940 /nfs/dbraw/zinc/36/79/40/448367940.db2.gz VYJXHUNYDIAIHP-YWPYICTPSA-N 1 0 348.403 1.614 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])c1 ZINC000591449350 448368448 /nfs/dbraw/zinc/36/84/48/448368448.db2.gz VYJXHUNYDIAIHP-SLEUVZQESA-N 1 0 348.403 1.614 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000591346328 448333185 /nfs/dbraw/zinc/33/31/85/448333185.db2.gz FEJISZNUSOIROR-QWHCGFSZSA-N 1 0 334.376 1.497 20 5 EDBDRO Cc1cc(NCCNc2ccn(C)n2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000564652844 448335025 /nfs/dbraw/zinc/33/50/25/448335025.db2.gz NVNKRSQRFHDXHX-UHFFFAOYSA-N 1 0 326.360 2.131 20 5 EDBDRO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1=O ZINC000577741610 448375234 /nfs/dbraw/zinc/37/52/34/448375234.db2.gz RXBDEJFFOFQYOP-LALPHHSUSA-N 1 0 346.387 1.522 20 5 EDBDRO Cc1cccc(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000578007515 448438549 /nfs/dbraw/zinc/43/85/49/448438549.db2.gz UAHSLCMGPWUJMA-UHFFFAOYSA-N 1 0 349.412 1.904 20 5 EDBDRO CC(C)[C@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H](C)[NH3+] ZINC000578010118 448439456 /nfs/dbraw/zinc/43/94/56/448439456.db2.gz YVFGYVYSQTWNPV-BMIGLBTASA-N 1 0 331.376 2.543 20 5 EDBDRO COC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000591756811 448482520 /nfs/dbraw/zinc/48/25/20/448482520.db2.gz KXOGFGWNJVJYGZ-ZDUSSCGKSA-N 1 0 340.376 1.120 20 5 EDBDRO Cc1ccc(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000517565211 448594091 /nfs/dbraw/zinc/59/40/91/448594091.db2.gz VASHEBYTCWUBTA-CQSZACIVSA-N 1 0 333.388 1.731 20 5 EDBDRO [NH3+][C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@H]1c1cccc(F)c1 ZINC000517564561 448594228 /nfs/dbraw/zinc/59/42/28/448594228.db2.gz GGHIJQKWIQQJQJ-UONOGXRCSA-N 1 0 346.318 1.401 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000592382218 448814900 /nfs/dbraw/zinc/81/49/00/448814900.db2.gz MKSALTVTDSNARS-STQMWFEESA-N 1 0 341.433 1.960 20 5 EDBDRO O=[N+]([O-])c1cc(F)c(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(F)c1 ZINC000586762747 448802230 /nfs/dbraw/zinc/80/22/30/448802230.db2.gz GXZONXIYAUPFMV-HZPDHXFCSA-N 1 0 341.358 1.904 20 5 EDBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000592368818 448807957 /nfs/dbraw/zinc/80/79/57/448807957.db2.gz YBMCRCLCTYVAQX-UHFFFAOYSA-N 1 0 331.394 1.399 20 5 EDBDRO CC[C@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592331340 448794138 /nfs/dbraw/zinc/79/41/38/448794138.db2.gz IPQKWDSGQPLMFJ-GXTWGEPZSA-N 1 0 343.387 1.980 20 5 EDBDRO CC[C@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592331677 448794812 /nfs/dbraw/zinc/79/48/12/448794812.db2.gz MZMWZEKMEPKQHU-AAEUAGOBSA-N 1 0 344.375 1.375 20 5 EDBDRO CCC(CC)(CO)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592431593 448834136 /nfs/dbraw/zinc/83/41/36/448834136.db2.gz LTBCOHKHFBPURF-UHFFFAOYSA-N 1 0 344.433 1.757 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000592475943 448852956 /nfs/dbraw/zinc/85/29/56/448852956.db2.gz WNOIDGHLROCSDP-ZANVPECISA-N 1 0 342.783 1.235 20 5 EDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1C[NH2+]CCC1(F)F ZINC000592558172 448899987 /nfs/dbraw/zinc/89/99/87/448899987.db2.gz KRYIGPORTPISPI-SECBINFHSA-N 1 0 325.275 1.654 20 5 EDBDRO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000592562831 448902756 /nfs/dbraw/zinc/90/27/56/448902756.db2.gz RVPBDZBVFPRMPP-LSDHHAIUSA-N 1 0 330.388 1.510 20 5 EDBDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])n3C)C2)CC1 ZINC000574808941 448960889 /nfs/dbraw/zinc/96/08/89/448960889.db2.gz VAWHFSOLDVHYEH-AWEZNQCLSA-N 1 0 349.435 1.174 20 5 EDBDRO CC[NH+]1CCN(CCNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000574714902 448939664 /nfs/dbraw/zinc/93/96/64/448939664.db2.gz QHCSWLQQAQWQTE-AWEZNQCLSA-N 1 0 334.420 1.452 20 5 EDBDRO C[C@H]1C[C@@H]([NH3+])CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000521640615 449006217 /nfs/dbraw/zinc/00/62/17/449006217.db2.gz ZFGKFEGWQSWYHW-UWVGGRQHSA-N 1 0 326.784 1.998 20 5 EDBDRO CCCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592832740 449008918 /nfs/dbraw/zinc/00/89/18/449008918.db2.gz VPOXWIUFVLUIBI-AWEZNQCLSA-N 1 0 349.387 1.938 20 5 EDBDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)CC ZINC000582122511 449018383 /nfs/dbraw/zinc/01/83/83/449018383.db2.gz QNTOYQSEFFVVQV-KGLIPLIRSA-N 1 0 330.406 1.508 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CC2(O)CCOCC2)c1 ZINC000589513711 449028859 /nfs/dbraw/zinc/02/88/59/449028859.db2.gz VYSVDPDZKGBOJN-UHFFFAOYSA-N 1 0 338.360 1.355 20 5 EDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593573888 449082257 /nfs/dbraw/zinc/08/22/57/449082257.db2.gz VJJKWDTZEGRFFP-LLVKDONJSA-N 1 0 342.421 1.341 20 5 EDBDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582296669 449059396 /nfs/dbraw/zinc/05/93/96/449059396.db2.gz QVAYTNQJXXKOJZ-VHDGCEQUSA-N 1 0 335.404 1.407 20 5 EDBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000522208004 449063482 /nfs/dbraw/zinc/06/34/82/449063482.db2.gz CPEZPQZKPWELPA-OAHLLOKOSA-N 1 0 347.419 1.513 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+](C)C[C@H]2COCCO2)cccc1[N+](=O)[O-] ZINC000595735248 449137628 /nfs/dbraw/zinc/13/76/28/449137628.db2.gz FVMWDANGPFQVNK-ZDUSSCGKSA-N 1 0 337.376 1.579 20 5 EDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599903751 449105364 /nfs/dbraw/zinc/10/53/64/449105364.db2.gz KUNPZELIKRQCLI-OIBJUYFYSA-N 1 0 326.740 1.053 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000593618663 449111277 /nfs/dbraw/zinc/11/12/77/449111277.db2.gz OETSIGYKZFWEGV-NWDGAFQWSA-N 1 0 339.367 1.190 20 5 EDBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595671334 449111732 /nfs/dbraw/zinc/11/17/32/449111732.db2.gz QNIJZNQHQDMIGI-FRFSOERESA-N 1 0 338.404 1.817 20 5 EDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599932211 449113676 /nfs/dbraw/zinc/11/36/76/449113676.db2.gz OEYXNXIAUUPPMB-CQSZACIVSA-N 1 0 336.392 1.503 20 5 EDBDRO C[C@H](O)[C@H]1CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000595766152 449155231 /nfs/dbraw/zinc/15/52/31/449155231.db2.gz MKUBLYYFFFLPKG-WCQYABFASA-N 1 0 335.360 1.738 20 5 EDBDRO O=C(C[NH2+][C@H]1C[C@H](O)C12CCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595779225 449160166 /nfs/dbraw/zinc/16/01/66/449160166.db2.gz ARMREWOXFFHJDS-GJZGRUSLSA-N 1 0 331.372 1.377 20 5 EDBDRO CCN1C[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000593721959 449160374 /nfs/dbraw/zinc/16/03/74/449160374.db2.gz GCHFOBMHJZUSTF-IHRRRGAJSA-N 1 0 335.408 1.733 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000590442602 449164869 /nfs/dbraw/zinc/16/48/69/449164869.db2.gz GHEPYOJEOPBYAX-YGRLFVJLSA-N 1 0 333.344 1.158 20 5 EDBDRO CC(C)C[N@H+](C)CCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000593204184 449169080 /nfs/dbraw/zinc/16/90/80/449169080.db2.gz LWGKLNZSTGNXGU-UHFFFAOYSA-N 1 0 325.413 1.621 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000600007537 449146327 /nfs/dbraw/zinc/14/63/27/449146327.db2.gz BPORQKLQWYKINV-UHFFFAOYSA-N 1 0 348.403 1.504 20 5 EDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000600006803 449146684 /nfs/dbraw/zinc/14/66/84/449146684.db2.gz ICRQZRDPVINFMB-UHFFFAOYSA-N 1 0 347.415 1.851 20 5 EDBDRO CN(CCC[NH+](C)C)CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000597989276 449173614 /nfs/dbraw/zinc/17/36/14/449173614.db2.gz BFUPHTUEPUBLNG-UHFFFAOYSA-N 1 0 348.407 1.084 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000590592008 449208749 /nfs/dbraw/zinc/20/87/49/449208749.db2.gz YRJVNHHLGAQZBP-LLVKDONJSA-N 1 0 345.396 1.757 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000593777643 449192639 /nfs/dbraw/zinc/19/26/39/449192639.db2.gz NENYCNFBXGKYEO-UHFFFAOYSA-N 1 0 334.376 1.348 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000590566487 449192944 /nfs/dbraw/zinc/19/29/44/449192944.db2.gz KFKFEEVWCWFZKQ-PWSUYJOCSA-N 1 0 337.376 1.777 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2CC3CC2(C[NH3+])C3)c([N+](=O)[O-])c1 ZINC000595907393 449246726 /nfs/dbraw/zinc/24/67/26/449246726.db2.gz BCPKBSXZFBLJOF-SGWRBKMISA-N 1 0 334.376 1.354 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000600219459 449249713 /nfs/dbraw/zinc/24/97/13/449249713.db2.gz ZGRGOKSZGWCCAS-PWEFJHHISA-N 1 0 329.360 1.507 20 5 EDBDRO O=[N+]([O-])c1ccc2ncnc(N[C@H]3CCC[N@@H+](CCCO)C3)c2c1 ZINC000590708740 449255533 /nfs/dbraw/zinc/25/55/33/449255533.db2.gz IQCDSTODEVVDIC-LBPRGKRZSA-N 1 0 331.376 1.797 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000595933279 449263617 /nfs/dbraw/zinc/26/36/17/449263617.db2.gz UNAGCIARYSWIJM-CYBMUJFWSA-N 1 0 347.293 1.762 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CC[NH2+]C[C@H]2C)c1 ZINC000593903816 449274654 /nfs/dbraw/zinc/27/46/54/449274654.db2.gz ABDWHPZUXISRND-CYBMUJFWSA-N 1 0 343.387 1.582 20 5 EDBDRO CN(CC1C[NH+](C)C1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000598160452 449266918 /nfs/dbraw/zinc/26/69/18/449266918.db2.gz MFTBDDHOSHEEES-UHFFFAOYSA-N 1 0 329.303 1.830 20 5 EDBDRO [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595940707 449268192 /nfs/dbraw/zinc/26/81/92/449268192.db2.gz UKORKINYEDQTNF-HZPDHXFCSA-N 1 0 349.387 1.328 20 5 EDBDRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000598062854 449224687 /nfs/dbraw/zinc/22/46/87/449224687.db2.gz XTNOEQUISYBCSW-UHFFFAOYSA-N 1 0 343.387 1.960 20 5 EDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](N3CCOCC3)C2)c1 ZINC000593996465 449316731 /nfs/dbraw/zinc/31/67/31/449316731.db2.gz ODWTUGJYISCQKN-MRXNPFEDSA-N 1 0 335.404 1.770 20 5 EDBDRO CC(C)(CO)[NH+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)CC1 ZINC000611515819 449316852 /nfs/dbraw/zinc/31/68/52/449316852.db2.gz HKTPOMITWCYYRK-UHFFFAOYSA-N 1 0 346.387 1.605 20 5 EDBDRO CCCc1n[nH]c(C(=O)NCc2ccccc2C[NH2+]C)c1[N+](=O)[O-] ZINC000593914023 449281823 /nfs/dbraw/zinc/28/18/23/449281823.db2.gz DNVJOXZHRWDLQW-UHFFFAOYSA-N 1 0 331.376 1.920 20 5 EDBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596058083 449340882 /nfs/dbraw/zinc/34/08/82/449340882.db2.gz CHNWAPYRURFISM-ZDUSSCGKSA-N 1 0 336.392 1.462 20 5 EDBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593552543 449342751 /nfs/dbraw/zinc/34/27/51/449342751.db2.gz RDGDOQGXNHNOFT-LBPRGKRZSA-N 1 0 342.421 1.342 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C[C@@H](C)O)C1CC1 ZINC000594061846 449343592 /nfs/dbraw/zinc/34/35/92/449343592.db2.gz CGTFUMRHWRERMO-LLVKDONJSA-N 1 0 337.376 1.777 20 5 EDBDRO NS(=O)(=O)c1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000596083171 449354787 /nfs/dbraw/zinc/35/47/87/449354787.db2.gz QBVMVFMODRKIIC-RYUDHWBXSA-N 1 0 340.405 1.281 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)n1 ZINC000611617400 449360284 /nfs/dbraw/zinc/36/02/84/449360284.db2.gz NEPSRRNYCFQBSO-AWEZNQCLSA-N 1 0 347.419 1.525 20 5 EDBDRO Cn1cc(C[NH2+]C[C@@H]2CCCNC2=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590971933 449364479 /nfs/dbraw/zinc/36/44/79/449364479.db2.gz XNDZYNMLPHATEL-ZDUSSCGKSA-N 1 0 343.387 1.611 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000598455039 449404872 /nfs/dbraw/zinc/40/48/72/449404872.db2.gz ZHQHVQXPAYFROS-OAHLLOKOSA-N 1 0 349.387 1.031 20 5 EDBDRO Cc1nn(CCC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(C)c1[N+](=O)[O-] ZINC000594199443 449388451 /nfs/dbraw/zinc/38/84/51/449388451.db2.gz ZPPGJTJYUOGCGQ-CABCVRRESA-N 1 0 349.435 1.931 20 5 EDBDRO CC[C@H](CO)[NH+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611709884 449390182 /nfs/dbraw/zinc/39/01/82/449390182.db2.gz WWHMVZUPHMJSFP-GFCCVEGCSA-N 1 0 331.376 1.431 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594318634 449446660 /nfs/dbraw/zinc/44/66/60/449446660.db2.gz PHLOXFRJMUFDOE-BETUJISGSA-N 1 0 348.403 1.607 20 5 EDBDRO COC(=O)c1cc(C)nc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000596309871 449469156 /nfs/dbraw/zinc/46/91/56/449469156.db2.gz YWHQAFHVHXNAFC-NSHDSACASA-N 1 0 336.392 2.370 20 5 EDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598665463 449527769 /nfs/dbraw/zinc/52/77/69/449527769.db2.gz WWVZEESFFOMTOL-RISCZKNCSA-N 1 0 349.391 1.350 20 5 EDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1ccn(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000598669303 449530460 /nfs/dbraw/zinc/53/04/60/449530460.db2.gz GZPVTRNNVGYTMW-YVEFUNNKSA-N 1 0 341.371 1.734 20 5 EDBDRO CCOc1cc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000598669628 449530475 /nfs/dbraw/zinc/53/04/75/449530475.db2.gz KFTBOIDRCDRGQU-PIGZYNQJSA-N 1 0 349.387 1.956 20 5 EDBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCCC1CC[NH2+]CC1 ZINC000598668561 449531100 /nfs/dbraw/zinc/53/11/00/449531100.db2.gz PTSQGNCNYCDTKR-UHFFFAOYSA-N 1 0 349.391 1.222 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NCC1CC[NH+](CC2CC2)CC1 ZINC000596563249 449553457 /nfs/dbraw/zinc/55/34/57/449553457.db2.gz SJLCPTITUQQOIT-UHFFFAOYSA-N 1 0 333.392 1.623 20 5 EDBDRO CC(C)CC[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000600754162 449535299 /nfs/dbraw/zinc/53/52/99/449535299.db2.gz MBUZEJCJGNOUEW-ZDUSSCGKSA-N 1 0 344.433 1.755 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](Nc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])C1 ZINC000596515994 449536752 /nfs/dbraw/zinc/53/67/52/449536752.db2.gz BKAHAGAZLRMVOZ-LLVKDONJSA-N 1 0 342.421 1.399 20 5 EDBDRO [NH3+][C@]12CCC[C@H]1CN(Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000598681539 449539692 /nfs/dbraw/zinc/53/96/92/449539692.db2.gz GRLAXNIQQMLCER-LRDDRELGSA-N 1 0 329.360 1.958 20 5 EDBDRO O=[N+]([O-])c1cc2c(nc1N1CCC([N@@H+]3CC[C@H](O)C3)CC1)CCCC2 ZINC000596539998 449545365 /nfs/dbraw/zinc/54/53/65/449545365.db2.gz SBEZPFHZZZSEMN-HNNXBMFYSA-N 1 0 346.431 1.904 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C1 ZINC000598620447 449499009 /nfs/dbraw/zinc/49/90/09/449499009.db2.gz WXBUATAUPCFFMN-ZDUSSCGKSA-N 1 0 341.433 1.974 20 5 EDBDRO O=C([C@H]1C[C@@]12CCC[NH2+]C2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000594425935 449509362 /nfs/dbraw/zinc/50/93/62/449509362.db2.gz NCQBOPRNQXUJOL-RDTXWAMCSA-N 1 0 344.415 1.633 20 5 EDBDRO C[C@H]1C[C@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])c2nccn21 ZINC000598633389 449509510 /nfs/dbraw/zinc/50/95/10/449509510.db2.gz LMIBTUXFRUMARV-QWRGUYRKSA-N 1 0 345.363 1.536 20 5 EDBDRO Cn1ncc2c1CC(C)(C)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000596599330 449568472 /nfs/dbraw/zinc/56/84/72/449568472.db2.gz UJMABMVMGNLMKD-UHFFFAOYSA-N 1 0 345.403 1.575 20 5 EDBDRO O=C(NC1CC[NH2+]CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000602421520 449575506 /nfs/dbraw/zinc/57/55/06/449575506.db2.gz MQHKHZBKCXFQDQ-UHFFFAOYSA-N 1 0 328.166 1.839 20 5 EDBDRO CC(C)Oc1nc(N2CC[N@H+](CCO)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000594572587 449578970 /nfs/dbraw/zinc/57/89/70/449578970.db2.gz OECSVGNRXUJXBD-UHFFFAOYSA-N 1 0 338.408 1.670 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000598715022 449558543 /nfs/dbraw/zinc/55/85/43/449558543.db2.gz LPLXFHCLVNGCGW-QWHCGFSZSA-N 1 0 339.417 1.584 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])c(C)c1[N+](=O)[O-] ZINC000598715957 449559619 /nfs/dbraw/zinc/55/96/19/449559619.db2.gz WECVGXUOVOYRJO-VXGBXAGGSA-N 1 0 327.406 1.760 20 5 EDBDRO COC(=O)COc1ccc(CNC2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000594514649 449559633 /nfs/dbraw/zinc/55/96/33/449559633.db2.gz YLCPAJGUFCIGAK-UHFFFAOYSA-N 1 0 337.376 1.329 20 5 EDBDRO [NH3+]CCCCCn1cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)nn1 ZINC000594652091 449608793 /nfs/dbraw/zinc/60/87/93/449608793.db2.gz NVOVXYKBKDGVAB-UHFFFAOYSA-N 1 0 347.379 1.637 20 5 EDBDRO C[NH2+]CCOCCN(C)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000600953723 449613356 /nfs/dbraw/zinc/61/33/56/449613356.db2.gz BGPUHVSYQIRUNG-UHFFFAOYSA-N 1 0 336.392 1.159 20 5 EDBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H](C)N1CCOCC1 ZINC000602567154 449678267 /nfs/dbraw/zinc/67/82/67/449678267.db2.gz VGFHMRBNFWNXEC-VXGBXAGGSA-N 1 0 334.376 1.935 20 5 EDBDRO COC(=O)c1ccc(OC[C@H](O)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000594714561 449642724 /nfs/dbraw/zinc/64/27/24/449642724.db2.gz PCMLTXLTQOUNQD-LLVKDONJSA-N 1 0 326.349 1.461 20 5 EDBDRO CC[NH+](CC)CC(=O)N1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601113356 449697319 /nfs/dbraw/zinc/69/73/19/449697319.db2.gz DZYMKBKVPSJYET-UHFFFAOYSA-N 1 0 339.371 1.119 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000594792502 449701623 /nfs/dbraw/zinc/70/16/23/449701623.db2.gz RUCDZCITWUALBM-NSHDSACASA-N 1 0 342.421 1.389 20 5 EDBDRO C[C@H](C[S@@](C)=O)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602608950 449701917 /nfs/dbraw/zinc/70/19/17/449701917.db2.gz NJLAXIUYTCIOIB-RKFFSXRUSA-N 1 0 326.422 1.315 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)cc1[N+](=O)[O-] ZINC000601149561 449718285 /nfs/dbraw/zinc/71/82/85/449718285.db2.gz MXHSFXRWJNWKNY-DMDPSCGWSA-N 1 0 338.360 1.802 20 5 EDBDRO CS(=O)(=O)N1CC[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599095542 449728531 /nfs/dbraw/zinc/72/85/31/449728531.db2.gz GQNGPVCUHIEMHE-LLVKDONJSA-N 1 0 336.373 1.589 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(C)C)c1C ZINC000599100250 449731699 /nfs/dbraw/zinc/73/16/99/449731699.db2.gz HDDIQLIDPABBSN-CQSZACIVSA-N 1 0 341.433 1.830 20 5 EDBDRO CN1CC[C@H]([NH+]2CCC(Nc3ncc(F)cc3[N+](=O)[O-])CC2)C1=O ZINC000601178436 449735715 /nfs/dbraw/zinc/73/57/15/449735715.db2.gz PXPMNRQFIDGXQP-LBPRGKRZSA-N 1 0 337.355 1.236 20 5 EDBDRO C[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617722422 449775587 /nfs/dbraw/zinc/77/55/87/449775587.db2.gz XBKDQLNTCOTCMM-IAOVAPTHSA-N 1 0 347.415 1.756 20 5 EDBDRO O=C(CCN1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000601333365 449840928 /nfs/dbraw/zinc/84/09/28/449840928.db2.gz CQRVCWFCKHBLIF-ZFWWWQNUSA-N 1 0 332.404 1.997 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+][C@@H](C(C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000595107936 449873001 /nfs/dbraw/zinc/87/30/01/449873001.db2.gz IFSITTXVTULDQT-CYBMUJFWSA-N 1 0 341.433 1.830 20 5 EDBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601362164 449874876 /nfs/dbraw/zinc/87/48/76/449874876.db2.gz DECOJDWHGSIEDA-UHFFFAOYSA-N 1 0 335.451 1.975 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC[N@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000601362882 449875557 /nfs/dbraw/zinc/87/55/57/449875557.db2.gz XVFCHOWCFDEEPH-SECBINFHSA-N 1 0 333.435 1.585 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000595123304 449883353 /nfs/dbraw/zinc/88/33/53/449883353.db2.gz UCKSBXMSJKUEBK-VXGBXAGGSA-N 1 0 331.369 1.217 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601339076 449847455 /nfs/dbraw/zinc/84/74/55/449847455.db2.gz SRUFUGXONJMNKA-SNVBAGLBSA-N 1 0 333.435 1.585 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601340273 449849907 /nfs/dbraw/zinc/84/99/07/449849907.db2.gz OCWVQRCLWWOGAP-NSHDSACASA-N 1 0 345.396 1.662 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000595192517 449935209 /nfs/dbraw/zinc/93/52/09/449935209.db2.gz JPCOMJVUDSDVAG-ZDUSSCGKSA-N 1 0 334.376 1.442 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc1C ZINC000601421339 449938639 /nfs/dbraw/zinc/93/86/39/449938639.db2.gz FFJQIZQDUVXIHT-OLZOCXBDSA-N 1 0 341.433 1.925 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000615189711 449996729 /nfs/dbraw/zinc/99/67/29/449996729.db2.gz YMVWSCFZMMEOQO-LBPRGKRZSA-N 1 0 348.403 1.688 20 5 EDBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000609135490 449964472 /nfs/dbraw/zinc/96/44/72/449964472.db2.gz MZHXRLNZYSJBSO-LBPRGKRZSA-N 1 0 349.387 1.969 20 5 EDBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000609135402 449964479 /nfs/dbraw/zinc/96/44/79/449964479.db2.gz IPQGFNNNYAQMGU-GFCCVEGCSA-N 1 0 349.387 1.969 20 5 EDBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(N2CCOCC2)CC1 ZINC000599475061 450005165 /nfs/dbraw/zinc/00/51/65/450005165.db2.gz ZQKMPCAKJFJOQC-UHFFFAOYSA-N 1 0 335.404 1.770 20 5 EDBDRO CO[C@H](C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CCOC1 ZINC000595291618 450006857 /nfs/dbraw/zinc/00/68/57/450006857.db2.gz PTHZECFFOUKPFW-RHSMWYFYSA-N 1 0 335.404 1.768 20 5 EDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000618208224 450064103 /nfs/dbraw/zinc/06/41/03/450064103.db2.gz QVOFBBCDDVIXDK-LBPRGKRZSA-N 1 0 337.376 1.444 20 5 EDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000609602888 450065092 /nfs/dbraw/zinc/06/50/92/450065092.db2.gz QKQCALVACJAPBT-CYBMUJFWSA-N 1 0 336.392 1.709 20 5 EDBDRO C[N@@H+]1CCN(CCNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1(C)C ZINC000601549459 450067167 /nfs/dbraw/zinc/06/71/67/450067167.db2.gz GUUGULSTCDGGTD-UHFFFAOYSA-N 1 0 338.383 1.490 20 5 EDBDRO COc1cc(OCC(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)ccc1[N+](=O)[O-] ZINC000601552988 450069704 /nfs/dbraw/zinc/06/97/04/450069704.db2.gz MBFABBHXRKKIIT-TZMCWYRMSA-N 1 0 349.387 1.583 20 5 EDBDRO CC(C)[NH2+][C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000609386070 450022367 /nfs/dbraw/zinc/02/23/67/450022367.db2.gz KEPBJIPLLHTQOC-ZBFHGGJFSA-N 1 0 337.420 1.797 20 5 EDBDRO CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000609560134 450051150 /nfs/dbraw/zinc/05/11/50/450051150.db2.gz VMPMEODWESMRJP-CYBMUJFWSA-N 1 0 335.408 1.163 20 5 EDBDRO CN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000609557331 450051682 /nfs/dbraw/zinc/05/16/82/450051682.db2.gz XKXFHUJBHAJQQA-HNNXBMFYSA-N 1 0 348.403 1.852 20 5 EDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000599575816 450078366 /nfs/dbraw/zinc/07/83/66/450078366.db2.gz ZQTHLVDEWRCDNI-LLVKDONJSA-N 1 0 344.375 1.683 20 5 EDBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000599626716 450113105 /nfs/dbraw/zinc/11/31/05/450113105.db2.gz ZCIJBLFFMNFWCV-PXDYOCJYSA-N 1 0 333.388 1.885 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000595414458 450126310 /nfs/dbraw/zinc/12/63/10/450126310.db2.gz KBDZBCUFDDAXNR-LBPRGKRZSA-N 1 0 343.405 1.222 20 5 EDBDRO COCC[NH2+]CCc1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000603218305 450151073 /nfs/dbraw/zinc/15/10/73/450151073.db2.gz NILYUMOMTROMBO-UHFFFAOYSA-N 1 0 339.783 1.667 20 5 EDBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000610264737 450175001 /nfs/dbraw/zinc/17/50/01/450175001.db2.gz OVENQPIERPGETO-GFCCVEGCSA-N 1 0 340.405 1.096 20 5 EDBDRO COc1ccc(Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)cc1[N+](=O)[O-] ZINC000603205978 450140613 /nfs/dbraw/zinc/14/06/13/450140613.db2.gz MISOJVZEISCTQM-GFCCVEGCSA-N 1 0 331.376 1.785 20 5 EDBDRO Cc1nn(CCC(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)c(C)c1[N+](=O)[O-] ZINC000597716637 450217511 /nfs/dbraw/zinc/21/75/11/450217511.db2.gz QTJGHJFQCXFNRO-QGZVFWFLSA-N 1 0 349.435 1.743 20 5 EDBDRO Nc1c(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000599800934 450226744 /nfs/dbraw/zinc/22/67/44/450226744.db2.gz MLXWIQMZFDWVNB-VIFPVBQESA-N 1 0 343.771 1.019 20 5 EDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CCN1CCCS1(=O)=O ZINC000610615070 450273286 /nfs/dbraw/zinc/27/32/86/450273286.db2.gz NLAPWXJQLHGADN-LBPRGKRZSA-N 1 0 327.406 1.623 20 5 EDBDRO Nc1c(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000619872118 450348779 /nfs/dbraw/zinc/34/87/79/450348779.db2.gz ZYTMEEKEXRDSDN-ZDUSSCGKSA-N 1 0 348.403 1.504 20 5 EDBDRO Cc1c(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000153900955 533771315 /nfs/dbraw/zinc/77/13/15/533771315.db2.gz PCACQNWJCNAUBF-PHIMTYICSA-N 1 0 344.375 1.306 20 5 EDBDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000154697104 533896909 /nfs/dbraw/zinc/89/69/09/533896909.db2.gz WCIKKQYHRKIHTC-TZMCWYRMSA-N 1 0 341.433 1.839 20 5 EDBDRO Cc1cccc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1[N+](=O)[O-] ZINC000131589923 534601721 /nfs/dbraw/zinc/60/17/21/534601721.db2.gz FOCYJMFOOBDQEX-AWEZNQCLSA-N 1 0 335.404 1.870 20 5 EDBDRO [NH3+]CCCOC1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000162154136 534615883 /nfs/dbraw/zinc/61/58/83/534615883.db2.gz QABWFIYQKNZEFS-UHFFFAOYSA-N 1 0 335.404 1.884 20 5 EDBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000187165121 534767297 /nfs/dbraw/zinc/76/72/97/534767297.db2.gz CQUFFMWMXDTCFL-OUCADQQQSA-N 1 0 346.387 1.642 20 5 EDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000131500829 534777327 /nfs/dbraw/zinc/77/73/27/534777327.db2.gz BHCDRKIGBCAHMA-JEJOPICUSA-N 1 0 347.415 1.961 20 5 EDBDRO CC(C)(C)[C@@H](CCO)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000183696084 526615522 /nfs/dbraw/zinc/61/55/22/526615522.db2.gz YBOAFLLFSJYTPY-SWLSCSKDSA-N 1 0 326.393 1.721 20 5 EDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151673930 527844344 /nfs/dbraw/zinc/84/43/44/527844344.db2.gz ODESLMHPWBBKJP-CYBMUJFWSA-N 1 0 338.412 1.165 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000183967683 528547650 /nfs/dbraw/zinc/54/76/50/528547650.db2.gz MNABZDUZMVEERT-UHFFFAOYSA-N 1 0 349.309 1.658 20 5 EDBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000345353773 535115193 /nfs/dbraw/zinc/11/51/93/535115193.db2.gz WMIMDMZKIRUKHO-ZDUSSCGKSA-N 1 0 336.392 1.462 20 5 EDBDRO CC[NH2+][C@H](C)CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000262496345 535513020 /nfs/dbraw/zinc/51/30/20/535513020.db2.gz WRBFKEFIGRGJOX-SECBINFHSA-N 1 0 342.783 1.092 20 5 EDBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248447345 535997118 /nfs/dbraw/zinc/99/71/18/535997118.db2.gz HHAGNPLTBNRXLX-YCPHGPKFSA-N 1 0 338.404 1.960 20 5 EDBDRO C[NH+](C)C1(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000331305475 536113733 /nfs/dbraw/zinc/11/37/33/536113733.db2.gz YWIGPLWQCQUPOD-UHFFFAOYSA-N 1 0 341.433 1.889 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@]2(C)CCCOC2)cc1[N+](=O)[O-] ZINC000353242161 536476560 /nfs/dbraw/zinc/47/65/60/536476560.db2.gz YCOBSBDVQNAQMR-INIZCTEOSA-N 1 0 338.360 1.805 20 5 EDBDRO C[NH+](C)C[C@@H]1CN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CCO1 ZINC000742151566 579436714 /nfs/dbraw/zinc/43/67/14/579436714.db2.gz JSLUNOMIQXCWEX-CQSZACIVSA-N 1 0 346.391 1.073 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000733167964 578745672 /nfs/dbraw/zinc/74/56/72/578745672.db2.gz BFTWQESIIOUEAM-CQSZACIVSA-N 1 0 348.403 1.255 20 5 EDBDRO CC(C)[NH2+][C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000735889011 578936353 /nfs/dbraw/zinc/93/63/53/578936353.db2.gz VDVNDCSPBMCQSC-SNVBAGLBSA-N 1 0 332.368 1.137 20 5 EDBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)C[NH+]1CCCC1 ZINC000736027059 578947880 /nfs/dbraw/zinc/94/78/80/578947880.db2.gz WLMCZOYFYQRZFU-SNVBAGLBSA-N 1 0 332.368 1.314 20 5 EDBDRO C[NH+](C)CCN(CCc1ccccc1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000751233055 579798165 /nfs/dbraw/zinc/79/81/65/579798165.db2.gz PSRQMUVQUPNKJQ-UHFFFAOYSA-N 1 0 330.392 1.578 20 5 EDBDRO CC[NH+]1CCN(CC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000756997322 579961861 /nfs/dbraw/zinc/96/18/61/579961861.db2.gz DOWXBMPDGLGKMB-UHFFFAOYSA-N 1 0 340.811 1.502 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](CCO)C1CC1 ZINC000763055641 580091249 /nfs/dbraw/zinc/09/12/49/580091249.db2.gz JEHSPKIXTPIQSE-GWCFXTLKSA-N 1 0 337.376 1.681 20 5 EDBDRO C[NH+]1CCC(ONC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000773548435 580340482 /nfs/dbraw/zinc/34/04/82/580340482.db2.gz BHIHCDLHRYCEGZ-UHFFFAOYSA-N 1 0 330.344 1.899 20 5 EDBDRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776579316 580422050 /nfs/dbraw/zinc/42/20/50/580422050.db2.gz MQLILCSMMVITCZ-RDJZCZTQSA-N 1 0 347.415 1.866 20 5 EDBDRO O=C([C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000776581685 580422119 /nfs/dbraw/zinc/42/21/19/580422119.db2.gz HINRAVDKMJONJQ-RDJZCZTQSA-N 1 0 347.415 1.963 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@H](C)[NH+](C)C ZINC000785774669 580652806 /nfs/dbraw/zinc/65/28/06/580652806.db2.gz GGWBAJKJGTUMPZ-QMMMGPOBSA-N 1 0 326.309 1.652 20 5 EDBDRO COCCN(Cc1ccnn1C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000786232054 580664672 /nfs/dbraw/zinc/66/46/72/580664672.db2.gz XRXWMDKOXYIDCG-MRXNPFEDSA-N 1 0 334.376 1.510 20 5 EDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(=O)NCCO)CC1 ZINC000787408766 580694633 /nfs/dbraw/zinc/69/46/33/580694633.db2.gz ZLBXGVXKFXVGNC-KAMYIIQDSA-N 1 0 347.415 1.819 20 5 EDBDRO CON(C)C(=O)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000799124411 581017602 /nfs/dbraw/zinc/01/76/02/581017602.db2.gz VASXTVGYIYVBLG-UHFFFAOYSA-N 1 0 337.376 1.848 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000801569430 581080477 /nfs/dbraw/zinc/08/04/77/581080477.db2.gz RUNOKFRBJFQCSZ-CRAIPNDOSA-N 1 0 349.431 1.672 20 5 EDBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801880277 581087146 /nfs/dbraw/zinc/08/71/46/581087146.db2.gz VBAHHHNNEZDTSR-UHFFFAOYSA-N 1 0 326.372 1.976 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000890884076 590830959 /nfs/dbraw/zinc/83/09/59/590830959.db2.gz VUHSTSBWJQYGKY-UHFFFAOYSA-N 1 0 325.413 1.536 20 5 EDBDRO COc1ccc(CNC(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000892211688 590865732 /nfs/dbraw/zinc/86/57/32/590865732.db2.gz LDNSKABCXHXIOC-ZDUSSCGKSA-N 1 0 336.392 1.839 20 5 EDBDRO Cn1c2ccccc2c(N2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1=O ZINC000892521126 591056874 /nfs/dbraw/zinc/05/68/74/591056874.db2.gz JVUBCNZEAZFXRK-LBPRGKRZSA-N 1 0 330.388 1.835 20 5 EDBDRO CC[N@@H+]1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000893827854 591112896 /nfs/dbraw/zinc/11/28/96/591112896.db2.gz KLBNHDFIYGVHHC-LBPRGKRZSA-N 1 0 330.388 1.977 20 5 EDBDRO CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C[NH3+])C1 ZINC000841103945 591195014 /nfs/dbraw/zinc/19/50/14/591195014.db2.gz TUKCKGKZSKYWGF-SNVBAGLBSA-N 1 0 327.772 1.355 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000892928927 591228061 /nfs/dbraw/zinc/22/80/61/591228061.db2.gz BVVMSMMILKLFBW-IUODEOHRSA-N 1 0 334.376 1.319 20 5 EDBDRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000895772296 591270321 /nfs/dbraw/zinc/27/03/21/591270321.db2.gz CSNDKQSEZVWQRN-QTLSWZBMSA-N 1 0 331.372 1.493 20 5 EDBDRO CN1CCO[C@H](CSc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000894334541 591282002 /nfs/dbraw/zinc/28/20/02/591282002.db2.gz CQQDGYUANVAHNF-NSHDSACASA-N 1 0 349.412 1.869 20 5 EDBDRO [NH3+]CCN(c1ccccc1[N+](=O)[O-])[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894448998 591314429 /nfs/dbraw/zinc/31/44/29/591314429.db2.gz RCWIFNHJLCRYJF-OLZOCXBDSA-N 1 0 339.367 1.994 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896527757 591495110 /nfs/dbraw/zinc/49/51/10/591495110.db2.gz DFAFEKSVTFAEJW-ZFWWWQNUSA-N 1 0 334.420 1.576 20 5 EDBDRO COc1ccc(CC(=O)NCC(C)(C)n2ccnc2)cc1[N+](=O)[O-] ZINC000898901564 591586612 /nfs/dbraw/zinc/58/66/12/591586612.db2.gz BQAUPHLFUPGSFO-UHFFFAOYSA-N 1 0 332.360 1.894 20 5 EDBDRO C[C@H](Nc1c2cc(F)ccc2ncc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895249990 591678616 /nfs/dbraw/zinc/67/86/16/591678616.db2.gz YYQWGFFEAAKFMF-ZBEGNZNMSA-N 1 0 347.394 1.750 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(CC[NH+](C)C)CC2)c1C ZINC000900007373 591864830 /nfs/dbraw/zinc/86/48/30/591864830.db2.gz MKTRLIWTMDTRDN-UHFFFAOYSA-N 1 0 334.420 1.531 20 5 EDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906680557 592261801 /nfs/dbraw/zinc/26/18/01/592261801.db2.gz ZJPDXLOKAGKNBP-LLVKDONJSA-N 1 0 337.376 1.826 20 5 EDBDRO COCC[C@@H]1C[NH2+]CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000903831834 592336891 /nfs/dbraw/zinc/33/68/91/592336891.db2.gz XJTMAGPFKFXCPC-OAHLLOKOSA-N 1 0 336.392 1.234 20 5 EDBDRO CNC(=O)c1ccc(N2CCCC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000905680931 592610864 /nfs/dbraw/zinc/61/08/64/592610864.db2.gz RHDWQAQWGZGBIQ-KRWDZBQOSA-N 1 0 332.404 1.924 20 5 EDBDRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000805758076 593138078 /nfs/dbraw/zinc/13/80/78/593138078.db2.gz BWQLYDKYILQQFI-ZDUSSCGKSA-N 1 0 325.365 1.447 20 5 EDBDRO O=C(CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCCC1 ZINC000838786765 593217086 /nfs/dbraw/zinc/21/70/86/593217086.db2.gz IOYDWIOIGFAEME-UHFFFAOYSA-N 1 0 333.392 1.124 20 5 EDBDRO CC[NH+]1CCN([C@H](C)CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804349030 593407450 /nfs/dbraw/zinc/40/74/50/593407450.db2.gz IHVHSJOANMDDEY-GFCCVEGCSA-N 1 0 337.380 1.941 20 5 EDBDRO C[NH+]1CCC2(CCCN(c3nccc(C(N)=O)c3[N+](=O)[O-])C2)CC1 ZINC000811841092 593484034 /nfs/dbraw/zinc/48/40/34/593484034.db2.gz ONQNDKLKYZDREJ-UHFFFAOYSA-N 1 0 333.392 1.401 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)cc1 ZINC000815285442 593624956 /nfs/dbraw/zinc/62/49/56/593624956.db2.gz HDESUOOPARZLQH-BRWVUGGUSA-N 1 0 336.388 1.538 20 5 EDBDRO CC1(C)OC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])O1 ZINC000819155672 593741849 /nfs/dbraw/zinc/74/18/49/593741849.db2.gz PBFHURCUIFOVEG-NEPJUHHUSA-N 1 0 326.349 1.076 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000819177738 593743146 /nfs/dbraw/zinc/74/31/46/593743146.db2.gz VITXYTPXSZYNQL-ZBFHGGJFSA-N 1 0 336.388 1.946 20 5 EDBDRO CC1(C)OCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CO1 ZINC000819226481 593745419 /nfs/dbraw/zinc/74/54/19/593745419.db2.gz REPOXKRNMQGQCL-GFCCVEGCSA-N 1 0 326.349 1.076 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2cn3c(n2)SCC3)c1 ZINC000819234326 593745862 /nfs/dbraw/zinc/74/58/62/593745862.db2.gz XDGLEIMUFUJIDI-AWEZNQCLSA-N 1 0 334.401 1.763 20 5 EDBDRO CC(C)(O)c1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000819240987 593745986 /nfs/dbraw/zinc/74/59/86/593745986.db2.gz DXXHXQVQDNFMEN-OAHLLOKOSA-N 1 0 334.376 1.169 20 5 EDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000819837328 593771518 /nfs/dbraw/zinc/77/15/18/593771518.db2.gz KNJQCVMAFAUYEP-GFCCVEGCSA-N 1 0 337.376 1.180 20 5 EDBDRO CC(C)C[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[NH+](C)C ZINC000820054588 593786814 /nfs/dbraw/zinc/78/68/14/593786814.db2.gz BYYBPPVFHXTNLD-SNVBAGLBSA-N 1 0 334.384 1.558 20 5 EDBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000824086046 593926043 /nfs/dbraw/zinc/92/60/43/593926043.db2.gz MOBGMKIOOHODQY-UONOGXRCSA-N 1 0 339.367 1.958 20 5 EDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000825172523 594141753 /nfs/dbraw/zinc/14/17/53/594141753.db2.gz VFVHATSGHVVAMD-AWEZNQCLSA-N 1 0 331.376 1.449 20 5 EDBDRO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000825887490 594269453 /nfs/dbraw/zinc/26/94/53/594269453.db2.gz OQOHDWZJVZQJDJ-QGZVFWFLSA-N 1 0 347.415 1.963 20 5 EDBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc([N+](=O)[O-])ccc1F ZINC000830155963 594346441 /nfs/dbraw/zinc/34/64/41/594346441.db2.gz PFLZIFJGHBAVNK-CYBMUJFWSA-N 1 0 337.351 1.717 20 5 EDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1cc(Cl)ccc1[N+](=O)[O-] ZINC000826685863 594555495 /nfs/dbraw/zinc/55/54/95/594555495.db2.gz ODSUZIYZPNXROP-JTQLQIEISA-N 1 0 326.784 1.804 20 5 EDBDRO C[NH+]1CCC2(CC1)CN(c1nc3ccccn3c1[N+](=O)[O-])CCO2 ZINC000826772868 594572846 /nfs/dbraw/zinc/57/28/46/594572846.db2.gz DNZSOMOOXNEMKA-UHFFFAOYSA-N 1 0 331.376 1.544 20 5 EDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@]2(OCCO)CCOC2)cc1Cl ZINC000826940294 594606545 /nfs/dbraw/zinc/60/65/45/594606545.db2.gz CCFXRXGLPRPYOW-CQSZACIVSA-N 1 0 330.768 1.506 20 5 EDBDRO CC(C)(CCC(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1)[N+](=O)[O-] ZINC000826982711 594616044 /nfs/dbraw/zinc/61/60/44/594616044.db2.gz ONFDDMVWXHIXAW-ZIAGYGMSSA-N 1 0 327.425 1.582 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000829485111 594623667 /nfs/dbraw/zinc/62/36/67/594623667.db2.gz VASHLPVCDFFKOL-UHFFFAOYSA-N 1 0 337.424 1.824 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000831570452 594684017 /nfs/dbraw/zinc/68/40/17/594684017.db2.gz HQIMKQQUKPAOHU-INIZCTEOSA-N 1 0 329.360 1.157 20 5 EDBDRO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000831683022 594692264 /nfs/dbraw/zinc/69/22/64/594692264.db2.gz LXDPIHHBFIDQRD-GFCCVEGCSA-N 1 0 338.795 1.368 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC000832301434 594741277 /nfs/dbraw/zinc/74/12/77/594741277.db2.gz FSUPBODYWIFFQR-UHFFFAOYSA-N 1 0 331.319 1.225 20 5 EDBDRO CCCc1[nH]nc(C(=O)Nc2cccc(OCC[NH3+])c2)c1[N+](=O)[O-] ZINC000832606952 594763482 /nfs/dbraw/zinc/76/34/82/594763482.db2.gz PVMNDVFFANFGSQ-UHFFFAOYSA-N 1 0 333.348 1.860 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000832690427 594769258 /nfs/dbraw/zinc/76/92/58/594769258.db2.gz GXTXJCQGXZUAJM-HZMBPMFUSA-N 1 0 334.332 1.588 20 5 EDBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000104531672 594967860 /nfs/dbraw/zinc/96/78/60/594967860.db2.gz IPEZWGSOYNFLOB-CYBMUJFWSA-N 1 0 336.392 1.360 20 5 EDBDRO CCC(=O)c1ccc(N2CCN(CC[NH+](C)C)C(=O)C2)c([N+](=O)[O-])c1 ZINC000845628349 595035131 /nfs/dbraw/zinc/03/51/31/595035131.db2.gz CCWGLMBWUSWQDH-UHFFFAOYSA-N 1 0 348.403 1.398 20 5 EDBDRO C[NH+](C)CCN1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1=O ZINC000845629665 595035250 /nfs/dbraw/zinc/03/52/50/595035250.db2.gz LDZNLHIWMIVCLN-UHFFFAOYSA-N 1 0 344.774 1.598 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000843339547 595079586 /nfs/dbraw/zinc/07/95/86/595079586.db2.gz SNFVTSNGFNYKKS-VIFPVBQESA-N 1 0 329.759 1.998 20 5 EDBDRO C[NH2+]C[C@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000843339546 595079701 /nfs/dbraw/zinc/07/97/01/595079701.db2.gz SNFVTSNGFNYKKS-SECBINFHSA-N 1 0 329.759 1.998 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000867325928 595101546 /nfs/dbraw/zinc/10/15/46/595101546.db2.gz DHEVQIHHQHLPLD-UHFFFAOYSA-N 1 0 348.403 1.074 20 5 EDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000842741149 595186146 /nfs/dbraw/zinc/18/61/46/595186146.db2.gz RBOKNCHUNWHMHF-PBINXNQUSA-N 1 0 331.419 1.689 20 5 EDBDRO CC(C)[C@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[NH2+]1 ZINC000842777026 595195382 /nfs/dbraw/zinc/19/53/82/595195382.db2.gz XJLOFLKODHGVGW-LLVKDONJSA-N 1 0 331.369 1.352 20 5 EDBDRO O=[N+]([O-])c1cc2c(c(-c3nc(CC4CC[NH2+]CC4)no3)c1)OCCO2 ZINC000843135861 595294281 /nfs/dbraw/zinc/29/42/81/595294281.db2.gz LBPWZHQVRHXFDR-UHFFFAOYSA-N 1 0 346.343 1.958 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000846700560 595303991 /nfs/dbraw/zinc/30/39/91/595303991.db2.gz XRKFXUKBYXCQHS-XZJROXQQSA-N 1 0 348.403 1.678 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000846942103 595340795 /nfs/dbraw/zinc/34/07/95/595340795.db2.gz ZEJIREZMEISTFW-DLBZAZTESA-N 1 0 335.404 1.425 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000108277574 595483352 /nfs/dbraw/zinc/48/33/52/595483352.db2.gz ZVIFTWZESRZGAF-LBPRGKRZSA-N 1 0 325.340 1.575 20 5 EDBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857767275 595600949 /nfs/dbraw/zinc/60/09/49/595600949.db2.gz BGXUMQUCFQIJFR-LBPRGKRZSA-N 1 0 345.302 1.061 20 5 EDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857768261 595601595 /nfs/dbraw/zinc/60/15/95/595601595.db2.gz NXYVIXIQKFPMMH-NXEZZACHSA-N 1 0 329.303 1.905 20 5 EDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857768262 595601761 /nfs/dbraw/zinc/60/17/61/595601761.db2.gz NXYVIXIQKFPMMH-UWVGGRQHSA-N 1 0 329.303 1.905 20 5 EDBDRO C/C(=C\C(=O)NCCN(C)CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000855415011 595704525 /nfs/dbraw/zinc/70/45/25/595704525.db2.gz PWRUFWRRSPLPOC-CCEZHUSRSA-N 1 0 348.447 1.998 20 5 EDBDRO CCn1ncc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000858443620 595796722 /nfs/dbraw/zinc/79/67/22/595796722.db2.gz MUKHZIPPVTVLFV-UHFFFAOYSA-N 1 0 330.392 1.965 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](O)[C@H]3CCCO3)CC2)cc1 ZINC000858468765 595804336 /nfs/dbraw/zinc/80/43/36/595804336.db2.gz JYLXVYRWKPJHDH-IAGOWNOFSA-N 1 0 335.404 1.693 20 5 EDBDRO C[C@H]([NH3+])CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000858641183 595853589 /nfs/dbraw/zinc/85/35/89/595853589.db2.gz BYBBMWBTYSAEOQ-ZETCQYMHSA-N 1 0 341.311 1.581 20 5 EDBDRO CO[C@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCOC1 ZINC000851714156 595893999 /nfs/dbraw/zinc/89/39/99/595893999.db2.gz FILOINGUYBOYNH-WMLDXEAASA-N 1 0 335.404 1.768 20 5 EDBDRO O=[N+]([O-])c1c(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)nc2ccccn21 ZINC000853966733 595936482 /nfs/dbraw/zinc/93/64/82/595936482.db2.gz YFCAVHHTLWWRIT-CYBMUJFWSA-N 1 0 331.376 1.278 20 5 EDBDRO COC(=O)[C@]12C[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C[C@H]1COCC2 ZINC000852002388 596003299 /nfs/dbraw/zinc/00/32/99/596003299.db2.gz TXNMGQXJXCEACU-BLLLJJGKSA-N 1 0 338.335 1.745 20 5 EDBDRO C[C@H](O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000852558668 596197717 /nfs/dbraw/zinc/19/77/17/596197717.db2.gz JQQKYFLULDSOMA-IINYFYTJSA-N 1 0 325.340 1.908 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000870894757 596393394 /nfs/dbraw/zinc/39/33/94/596393394.db2.gz GIBLFZILTCBHGK-RDJZCZTQSA-N 1 0 334.420 1.711 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000870958761 596418417 /nfs/dbraw/zinc/41/84/17/596418417.db2.gz KHTMSPHBOZSMMW-UHFFFAOYSA-N 1 0 337.424 1.726 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@](C)(N)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000870983941 596429115 /nfs/dbraw/zinc/42/91/15/596429115.db2.gz ZNYWWGSEGYUDSQ-SRCQZFHVSA-N 1 0 332.404 1.321 20 5 EDBDRO CC1([NH+]2CCOCC2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000862958870 596466427 /nfs/dbraw/zinc/46/64/27/596466427.db2.gz LUIYARXUEKMAOO-UHFFFAOYSA-N 1 0 348.403 1.504 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c([N+](=O)[O-])s1 ZINC000867811434 596563362 /nfs/dbraw/zinc/56/33/62/596563362.db2.gz PQFHGRUKXQRORP-GHMZBOCLSA-N 1 0 345.446 1.679 20 5 EDBDRO COCC[N@@H+]1CCCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865445559 596576790 /nfs/dbraw/zinc/57/67/90/596576790.db2.gz HQYSTRWJQKIIFM-UHFFFAOYSA-N 1 0 327.356 1.385 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cccnc2Br)c1 ZINC000865495496 596590818 /nfs/dbraw/zinc/59/08/18/596590818.db2.gz KGUZNJXYMDJNPX-UHFFFAOYSA-N 1 0 326.154 1.739 20 5 EDBDRO COc1ccc(CSCC(=O)N2CC[C@](C)([NH3+])C2)cc1[N+](=O)[O-] ZINC000868074429 596677369 /nfs/dbraw/zinc/67/73/69/596677369.db2.gz IKOCMTGXITVEFH-HNNXBMFYSA-N 1 0 339.417 1.786 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000871813004 596709233 /nfs/dbraw/zinc/70/92/33/596709233.db2.gz NBJICAJLACJBEJ-SMDDNHRTSA-N 1 0 325.390 1.133 20 5 EDBDRO C[NH+](C)C[C@]1(O)CCCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865924346 596723536 /nfs/dbraw/zinc/72/35/36/596723536.db2.gz MELBTPMYKZZTTG-OAHLLOKOSA-N 1 0 327.356 1.119 20 5 EDBDRO C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872084348 596802572 /nfs/dbraw/zinc/80/25/72/596802572.db2.gz IARKHKPPPWBWNU-XHDPSFHLSA-N 1 0 328.340 1.553 20 5 EDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(=O)N1CCN(C)CC1 ZINC000866249511 596837474 /nfs/dbraw/zinc/83/74/74/596837474.db2.gz KNBCURPIDOSZDM-LBPRGKRZSA-N 1 0 338.383 1.029 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)c1 ZINC000872248602 596853319 /nfs/dbraw/zinc/85/33/19/596853319.db2.gz UXOCVTSBYSBFEL-QIJZBDPFSA-N 1 0 336.388 1.882 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@]23CCC[C@H]2OCC3)cc1 ZINC000872315600 596878920 /nfs/dbraw/zinc/87/89/20/596878920.db2.gz XCWPDVFPIQALDE-CABCVRRESA-N 1 0 340.401 1.670 20 5 EDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866454168 596889389 /nfs/dbraw/zinc/88/93/89/596889389.db2.gz GXTMVPKDJOWNHS-CYBMUJFWSA-N 1 0 341.383 1.749 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1F ZINC000124916482 596984987 /nfs/dbraw/zinc/98/49/87/596984987.db2.gz BWMCIJAKXMLVEP-ZJUUUORDSA-N 1 0 331.369 1.591 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000872663292 597018509 /nfs/dbraw/zinc/01/85/09/597018509.db2.gz JRTLPGRSBGUZGH-KGLIPLIRSA-N 1 0 339.417 1.760 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000874851151 597201450 /nfs/dbraw/zinc/20/14/50/597201450.db2.gz ZNJIZSPSSMPGLM-LSDHHAIUSA-N 1 0 346.387 1.020 20 5 EDBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000876551838 597237545 /nfs/dbraw/zinc/23/75/45/597237545.db2.gz YPUAZWCYGPFDLP-CABCVRRESA-N 1 0 332.404 1.617 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000876567555 597243199 /nfs/dbraw/zinc/24/31/99/597243199.db2.gz AKBQVUYAOPLZKH-HNNXBMFYSA-N 1 0 341.795 1.962 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000876567556 597243273 /nfs/dbraw/zinc/24/32/73/597243273.db2.gz AKBQVUYAOPLZKH-OAHLLOKOSA-N 1 0 341.795 1.962 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000877357408 597500169 /nfs/dbraw/zinc/50/01/69/597500169.db2.gz WRLCZWRRUXHLGS-YUMQZZPRSA-N 1 0 335.257 1.943 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000877368294 597502835 /nfs/dbraw/zinc/50/28/35/597502835.db2.gz HOLGHXLKXZBKHF-XCBNKYQSSA-N 1 0 335.257 1.943 20 5 EDBDRO COC(=O)C1=CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000877651520 597545056 /nfs/dbraw/zinc/54/50/56/597545056.db2.gz JFFMWIPQWAGOFC-AWEZNQCLSA-N 1 0 346.387 1.810 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879574417 597637182 /nfs/dbraw/zinc/63/71/82/597637182.db2.gz CIGPLZGTQNZUQK-SWLSCSKDSA-N 1 0 348.403 1.568 20 5 EDBDRO CC(C)(O)[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000879963734 597786624 /nfs/dbraw/zinc/78/66/24/597786624.db2.gz NNIMSUNHPOTGDG-KBPBESRZSA-N 1 0 338.404 1.817 20 5 EDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000880121855 597847112 /nfs/dbraw/zinc/84/71/12/597847112.db2.gz FHEDMLRGTGMAPX-WCQYABFASA-N 1 0 349.387 1.921 20 5 EDBDRO CCOc1cc(C(=O)NC[C@H]2CC[N@@H+]2CC)c([N+](=O)[O-])cc1OC ZINC000882479682 597970478 /nfs/dbraw/zinc/97/04/78/597970478.db2.gz CCFDOLUAKWYKOA-LLVKDONJSA-N 1 0 337.376 1.826 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000738366634 598597613 /nfs/dbraw/zinc/59/76/13/598597613.db2.gz GLGFYGYOEAFWHI-UHFFFAOYSA-N 1 0 340.343 1.944 20 5 EDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000915098409 695739668 /nfs/dbraw/zinc/73/96/68/695739668.db2.gz NXPUXSSLBKLQSY-INIZCTEOSA-N 1 0 348.403 1.647 20 5 EDBDRO C[NH+](C)C1(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000918024442 697122783 /nfs/dbraw/zinc/12/27/83/697122783.db2.gz RTPYMDNHEZNAKS-UHFFFAOYSA-N 1 0 345.403 1.935 20 5 EDBDRO CC1(C)CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000072828099 702030667 /nfs/dbraw/zinc/03/06/67/702030667.db2.gz FDNPTLWCILAUJW-UHFFFAOYSA-N 1 0 346.431 1.975 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CC1CCN(C(=O)CC2CCC2)CC1 ZINC000997652177 703965993 /nfs/dbraw/zinc/96/59/93/703965993.db2.gz VFGSXLKMPOTHBG-UHFFFAOYSA-N 1 0 349.435 1.847 20 5 EDBDRO O=C(Cc1ncc[nH]1)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001003843399 710680580 /nfs/dbraw/zinc/68/05/80/710680580.db2.gz YNJBDZBVVAXWCV-UHFFFAOYSA-N 1 0 343.387 1.641 20 5 EDBDRO O=C(NCc1ccc(C[NH2+]Cc2ccns2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034816618 711198943 /nfs/dbraw/zinc/19/89/43/711198943.db2.gz RWERPPXIZJRQMU-HUUCEWRRSA-N 1 0 346.412 1.714 20 5 EDBDRO COc1cc(C(=O)NCC[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000053887289 214203221 /nfs/dbraw/zinc/20/32/21/214203221.db2.gz KJPXGUBTMNMZLO-UHFFFAOYSA-N 1 0 333.291 1.496 20 5 EDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174207479 231149953 /nfs/dbraw/zinc/14/99/53/231149953.db2.gz MUWMIUVRZYRRQN-GIZXNFQBSA-N 1 0 345.399 1.789 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCSc3ccccc32)c1 ZINC000559683027 306257690 /nfs/dbraw/zinc/25/76/90/306257690.db2.gz HFGMDTUUCKHGIX-OCCSQVGLSA-N 1 0 334.401 1.979 20 5 EDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000178146214 232094062 /nfs/dbraw/zinc/09/40/62/232094062.db2.gz TVRWNCSCLYABDL-QWHCGFSZSA-N 1 0 329.360 1.638 20 5 EDBDRO O=C(NC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000178572913 232266093 /nfs/dbraw/zinc/26/60/93/232266093.db2.gz DSGZJROBSZHTLW-INIZCTEOSA-N 1 0 333.388 1.619 20 5 EDBDRO Cc1nn(CCC(=O)NCCC2CC[NH+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000102491521 219207240 /nfs/dbraw/zinc/20/72/40/219207240.db2.gz XYRLUBLUBQNPQJ-UHFFFAOYSA-N 1 0 337.424 1.646 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000067813179 215217938 /nfs/dbraw/zinc/21/79/38/215217938.db2.gz BWOZZQGJSXIIDG-CYBMUJFWSA-N 1 0 347.375 1.646 20 5 EDBDRO CCCNc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000562996302 306315104 /nfs/dbraw/zinc/31/51/04/306315104.db2.gz AIJNKFNUCBNGLE-MRXNPFEDSA-N 1 0 333.392 1.764 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCCSC2)cc1 ZINC000183461152 235090662 /nfs/dbraw/zinc/09/06/62/235090662.db2.gz VLXOKGXIUJQPPK-NSHDSACASA-N 1 0 345.446 1.358 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107530537 138304367 /nfs/dbraw/zinc/30/43/67/138304367.db2.gz MEFUQAXRHLRHDF-AWEZNQCLSA-N 1 0 335.408 1.658 20 5 EDBDRO C[C@@H](C[NH3+])N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000179191591 138750111 /nfs/dbraw/zinc/75/01/11/138750111.db2.gz BNOZSDIFODQAHQ-QMMMGPOBSA-N 1 0 330.182 1.705 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000189687161 237143566 /nfs/dbraw/zinc/14/35/66/237143566.db2.gz HGKBJUZPNRFIHF-INIZCTEOSA-N 1 0 333.388 1.922 20 5 EDBDRO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000131276318 223219297 /nfs/dbraw/zinc/21/92/97/223219297.db2.gz JJKUCHGWQJXFQU-OAHLLOKOSA-N 1 0 348.403 1.186 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000073132527 216353431 /nfs/dbraw/zinc/35/34/31/216353431.db2.gz COXWOMFTZCHEJW-UHFFFAOYSA-N 1 0 325.340 1.575 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1CC[NH+](C)CC1 ZINC000022999090 212341996 /nfs/dbraw/zinc/34/19/96/212341996.db2.gz RGGYQVNTBDPJPK-UHFFFAOYSA-N 1 0 334.376 1.300 20 5 EDBDRO CCOc1cc(NC(=O)NCCC[NH3+])c([N+](=O)[O-])cc1OCC ZINC000414756481 304137438 /nfs/dbraw/zinc/13/74/38/304137438.db2.gz JTCMRXOADMIYBI-UHFFFAOYSA-N 1 0 326.353 1.863 20 5 EDBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000363938226 284202361 /nfs/dbraw/zinc/20/23/61/284202361.db2.gz NRKKKZUFQJLPOC-NWDGAFQWSA-N 1 0 347.371 1.723 20 5 EDBDRO CN1CC[NH+](CC2CCN(c3ncc([N+](=O)[O-])s3)CC2)CC1 ZINC000195510836 139018722 /nfs/dbraw/zinc/01/87/22/139018722.db2.gz QHLSCLWMSVRQTE-UHFFFAOYSA-N 1 0 325.438 1.515 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C[NH3+])CC(C)C)cc1C ZINC000236624480 139027127 /nfs/dbraw/zinc/02/71/27/139027127.db2.gz VVYOHUYMTUPQFQ-GFCCVEGCSA-N 1 0 329.422 1.863 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000237468014 139051904 /nfs/dbraw/zinc/05/19/04/139051904.db2.gz QKYZVVTWSXFUCW-WDEREUQCSA-N 1 0 325.340 1.699 20 5 EDBDRO C[C@@](C[NH3+])(NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CC1 ZINC000237645490 139056880 /nfs/dbraw/zinc/05/68/80/139056880.db2.gz ODSAIFCNDAHUMD-HNNXBMFYSA-N 1 0 330.348 1.033 20 5 EDBDRO [NH3+]CC1(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCCC1 ZINC000237790153 139060531 /nfs/dbraw/zinc/06/05/31/139060531.db2.gz DGZKCXOTEPPAIM-UHFFFAOYSA-N 1 0 329.360 1.782 20 5 EDBDRO Cn1cc(C[NH2+]CCNC(=O)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237915889 139063797 /nfs/dbraw/zinc/06/37/97/139063797.db2.gz VHTGSTUCLQBGNS-UHFFFAOYSA-N 1 0 343.387 1.611 20 5 EDBDRO [NH3+]CCCCCCC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237978063 139065616 /nfs/dbraw/zinc/06/56/16/139065616.db2.gz FMWJPPBEAOJRTO-ZDUSSCGKSA-N 1 0 335.408 1.912 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)CC[C@H]21 ZINC000245517123 139077595 /nfs/dbraw/zinc/07/75/95/139077595.db2.gz GNQUZJZTTJQFKU-WCQYABFASA-N 1 0 347.371 1.880 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000245720530 139084149 /nfs/dbraw/zinc/08/41/49/139084149.db2.gz APEUSHGXYGUJJK-DGCLKSJQSA-N 1 0 344.375 1.353 20 5 EDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CC[NH2+]CC1 ZINC000237356517 296212081 /nfs/dbraw/zinc/21/20/81/296212081.db2.gz GMNZCWYWKQUYPM-GFCCVEGCSA-N 1 0 338.433 1.097 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000262516291 291600650 /nfs/dbraw/zinc/60/06/50/291600650.db2.gz NMUACKLCNSALBV-RYUDHWBXSA-N 1 0 325.390 1.276 20 5 EDBDRO Cc1c(CC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000245930240 139090501 /nfs/dbraw/zinc/09/05/01/139090501.db2.gz IXDKPZHOSHILGH-OLZOCXBDSA-N 1 0 335.404 1.359 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c1 ZINC000246110914 139095463 /nfs/dbraw/zinc/09/54/63/139095463.db2.gz JTIIUFGRXTZJRM-MCIONIFRSA-N 1 0 326.422 1.512 20 5 EDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246575535 139113552 /nfs/dbraw/zinc/11/35/52/139113552.db2.gz CEIKNSAYYRKZDW-BBRMVZONSA-N 1 0 333.388 1.916 20 5 EDBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368192256 284616390 /nfs/dbraw/zinc/61/63/90/284616390.db2.gz FSAPQKRAJMYPNC-LKFCYVNXSA-N 1 0 328.328 1.283 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000248158027 139158934 /nfs/dbraw/zinc/15/89/34/139158934.db2.gz RRMUOISNQPDVDL-XJKSGUPXSA-N 1 0 333.388 1.916 20 5 EDBDRO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000248199232 139159484 /nfs/dbraw/zinc/15/94/84/139159484.db2.gz NBEMNGQPBNBPDZ-RBSFLKMASA-N 1 0 338.408 1.432 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000248710379 139172655 /nfs/dbraw/zinc/17/26/55/139172655.db2.gz BRYGGAGISNCROG-IUODEOHRSA-N 1 0 339.417 1.700 20 5 EDBDRO COc1ccc(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000415448057 304221041 /nfs/dbraw/zinc/22/10/41/304221041.db2.gz UXTSUPZSQINFNX-NSHDSACASA-N 1 0 330.291 1.722 20 5 EDBDRO C[C@]1(C[NH3+])CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000261731242 139221425 /nfs/dbraw/zinc/22/14/25/139221425.db2.gz JWQRVXYKCLDQCL-CQSZACIVSA-N 1 0 326.784 1.857 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000261777368 139225010 /nfs/dbraw/zinc/22/50/10/139225010.db2.gz RNYWFTNPYBBRNR-NSHDSACASA-N 1 0 343.405 1.353 20 5 EDBDRO COC(=O)COc1ccc(CN2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000261805615 139227691 /nfs/dbraw/zinc/22/76/91/139227691.db2.gz HHMBADXYPGXHCJ-DGCLKSJQSA-N 1 0 337.376 1.316 20 5 EDBDRO COCC1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000261945371 139239263 /nfs/dbraw/zinc/23/92/63/139239263.db2.gz VOAYBWHPCXODIX-UHFFFAOYSA-N 1 0 325.340 1.480 20 5 EDBDRO CN(CC(C)(C)C[NH3+])C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262016772 139244107 /nfs/dbraw/zinc/24/41/07/139244107.db2.gz WGCCMDDTFYFXNC-UHFFFAOYSA-N 1 0 331.376 1.837 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)CC(C)(C)C[NH3+])c1C ZINC000262044328 139246285 /nfs/dbraw/zinc/24/62/85/139246285.db2.gz CFTCKAWOFUCWGC-UHFFFAOYSA-N 1 0 329.422 1.817 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C)N(CCO)C[C@@H]1C ZINC000416996057 251123467 /nfs/dbraw/zinc/12/34/67/251123467.db2.gz MGAMLLDTAHPNPL-OLZOCXBDSA-N 1 0 336.392 1.822 20 5 EDBDRO CN1CC[NH2+]C[C@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418765809 251421855 /nfs/dbraw/zinc/42/18/55/251421855.db2.gz PBLSWVVLDGJOOV-HNNXBMFYSA-N 1 0 347.419 1.172 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1)c1cccc([N+](=O)[O-])c1 ZINC000419161126 251490049 /nfs/dbraw/zinc/49/00/49/251490049.db2.gz IFKNOZWQMWYHKR-WFASDCNBSA-N 1 0 348.403 1.230 20 5 EDBDRO Cn1ccnc1C(=O)c1ccc(NC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420164356 251624852 /nfs/dbraw/zinc/62/48/52/251624852.db2.gz GIWFWDHIOMDTRZ-LBPRGKRZSA-N 1 0 343.387 1.971 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000422694062 251955892 /nfs/dbraw/zinc/95/58/92/251955892.db2.gz NJOFOBAFQXUXIR-UHFFFAOYSA-N 1 0 336.392 1.019 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N(C)CC(C)(C)C[NH3+])ccc1[N+](=O)[O-] ZINC000422889141 252012621 /nfs/dbraw/zinc/01/26/21/252012621.db2.gz FGXMFADTNKPBQW-UHFFFAOYSA-N 1 0 336.392 1.076 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCCO1 ZINC000424005547 252112745 /nfs/dbraw/zinc/11/27/45/252112745.db2.gz AJMZHOAMEARLII-CYBMUJFWSA-N 1 0 334.376 1.359 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000415604438 304237448 /nfs/dbraw/zinc/23/74/48/304237448.db2.gz BQWIMXHQSCTDAK-YGRLFVJLSA-N 1 0 334.376 1.210 20 5 EDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000569723790 306517954 /nfs/dbraw/zinc/51/79/54/306517954.db2.gz NQBFHSSMZSPDLN-DTWKUNHWSA-N 1 0 342.783 1.106 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415644547 304245707 /nfs/dbraw/zinc/24/57/07/304245707.db2.gz KXXBLUUVTLRJIV-VXGBXAGGSA-N 1 0 334.376 1.536 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000415664009 304251498 /nfs/dbraw/zinc/25/14/98/304251498.db2.gz WMGYFLMNYHPVDV-JQWIXIFHSA-N 1 0 334.376 1.264 20 5 EDBDRO C[N@@H+]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000097364247 219015422 /nfs/dbraw/zinc/01/54/22/219015422.db2.gz ZGJNTUMXJARGGE-UHFFFAOYSA-N 1 0 329.360 1.558 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000248473101 285164613 /nfs/dbraw/zinc/16/46/13/285164613.db2.gz WOSWMSGNBGDSBF-HOTGVXAUSA-N 1 0 349.431 1.895 20 5 EDBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000431390405 254516910 /nfs/dbraw/zinc/51/69/10/254516910.db2.gz RYSUQHQYLFFAHD-INIZCTEOSA-N 1 0 334.376 1.509 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000447248995 254623191 /nfs/dbraw/zinc/62/31/91/254623191.db2.gz MOJVUGODVSHHOA-PWSUYJOCSA-N 1 0 327.406 1.515 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000153767661 224155156 /nfs/dbraw/zinc/15/51/56/224155156.db2.gz KIMMHHMLDZYWLC-CQSZACIVSA-N 1 0 337.424 1.597 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](CO)[C@@H]1C ZINC000488810265 255055507 /nfs/dbraw/zinc/05/55/07/255055507.db2.gz VOEDVWAETQQUMG-RYUDHWBXSA-N 1 0 337.376 1.635 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC000488810262 255055755 /nfs/dbraw/zinc/05/57/55/255055755.db2.gz VOEDVWAETQQUMG-NEPJUHHUSA-N 1 0 337.376 1.635 20 5 EDBDRO C[C@@H]1[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000494037639 255233274 /nfs/dbraw/zinc/23/32/74/255233274.db2.gz KNCNYJNZXFEWTK-TZMCWYRMSA-N 1 0 343.387 1.721 20 5 EDBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493039177 255189324 /nfs/dbraw/zinc/18/93/24/255189324.db2.gz KWFKUTOHDCEECO-MDZDMXLPSA-N 1 0 348.447 1.950 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCO[C@@H]2C2CC2)cc1 ZINC000494442353 255251001 /nfs/dbraw/zinc/25/10/01/255251001.db2.gz CZJPHANXFMJYLP-LSDHHAIUSA-N 1 0 340.401 1.526 20 5 EDBDRO C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000495041508 255266709 /nfs/dbraw/zinc/26/67/09/255266709.db2.gz FHSWXQBSEFEXEU-WOPDTQHZSA-N 1 0 327.406 1.507 20 5 EDBDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)C1 ZINC000495487066 255288876 /nfs/dbraw/zinc/28/88/76/255288876.db2.gz LOZJJKIQAWLBLS-QWHCGFSZSA-N 1 0 339.396 1.638 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000263899665 139368452 /nfs/dbraw/zinc/36/84/52/139368452.db2.gz CKTVBYOXWRQPJD-SWLSCSKDSA-N 1 0 348.403 1.266 20 5 EDBDRO CCC[NH+](CCC)CCCNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000263930051 139370266 /nfs/dbraw/zinc/37/02/66/139370266.db2.gz GWMKLEDEKQZDBY-UHFFFAOYSA-N 1 0 325.413 1.728 20 5 EDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000118117977 221123140 /nfs/dbraw/zinc/12/31/40/221123140.db2.gz ZIBKAARAZYAPDW-NSHDSACASA-N 1 0 336.392 1.688 20 5 EDBDRO Cc1nn(CCC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000119352610 221300638 /nfs/dbraw/zinc/30/06/38/221300638.db2.gz QADIDHVJGLTRMW-CABCVRRESA-N 1 0 349.435 1.741 20 5 EDBDRO COC[C@]1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000262563318 285485547 /nfs/dbraw/zinc/48/55/47/285485547.db2.gz WAQINCIBSWCRLW-CQSZACIVSA-N 1 0 327.768 1.747 20 5 EDBDRO COc1ccc(S(=O)(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000268265351 139751743 /nfs/dbraw/zinc/75/17/43/139751743.db2.gz ROTNFALUIWUFTQ-GWCFXTLKSA-N 1 0 343.405 1.174 20 5 EDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000269144561 139883333 /nfs/dbraw/zinc/88/33/33/139883333.db2.gz YANYAGIOCIBRFM-QMMMGPOBSA-N 1 0 345.302 1.639 20 5 EDBDRO CC[N@H+](CCCO)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000270745802 140160774 /nfs/dbraw/zinc/16/07/74/140160774.db2.gz RYDFEGKSJCZBKP-NSHDSACASA-N 1 0 325.365 1.635 20 5 EDBDRO O=C(CC[N@@H+]1CC[C@@H](N2CCCC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000270899118 140193677 /nfs/dbraw/zinc/19/36/77/140193677.db2.gz MHSNGOLUQGGNOG-CYBMUJFWSA-N 1 0 346.387 1.620 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)n1 ZINC000271331479 140279992 /nfs/dbraw/zinc/27/99/92/140279992.db2.gz AZZGOSUBVJCBIM-UHFFFAOYSA-N 1 0 343.387 1.157 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000331984932 141106615 /nfs/dbraw/zinc/10/66/15/141106615.db2.gz MWYPOBTTWAOWMY-LBPRGKRZSA-N 1 0 349.387 1.922 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000332127067 141127489 /nfs/dbraw/zinc/12/74/89/141127489.db2.gz HEYCRLXFJJCDFT-CABCVRRESA-N 1 0 348.403 1.247 20 5 EDBDRO CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000339933814 142204605 /nfs/dbraw/zinc/20/46/05/142204605.db2.gz JLAWAJKWKHIFDA-ZDUSSCGKSA-N 1 0 336.392 1.887 20 5 EDBDRO O=C(NCC1CC[NH+](CCO)CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000340279894 142328816 /nfs/dbraw/zinc/32/88/16/142328816.db2.gz RAMOOIFAMRHPBU-UHFFFAOYSA-N 1 0 346.387 1.510 20 5 EDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000345004006 143038012 /nfs/dbraw/zinc/03/80/12/143038012.db2.gz PCQCMIXDDOYEPQ-AWEZNQCLSA-N 1 0 338.795 1.254 20 5 EDBDRO COCCN1C(=O)N[C@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000345686105 143121350 /nfs/dbraw/zinc/12/13/50/143121350.db2.gz OAXXRRFWWZBXIH-JKSUJKDBSA-N 1 0 348.403 1.252 20 5 EDBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000346163022 143173947 /nfs/dbraw/zinc/17/39/47/143173947.db2.gz CTSXLCPGCUDCFO-GZBFAFLISA-N 1 0 335.408 1.370 20 5 EDBDRO C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C(N)=O ZINC000346590651 143219651 /nfs/dbraw/zinc/21/96/51/143219651.db2.gz QXERHDKVWVBCDH-FZMZJTMJSA-N 1 0 344.371 1.846 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347280194 143303356 /nfs/dbraw/zinc/30/33/56/143303356.db2.gz XXECJHWIPOFQDS-LLVKDONJSA-N 1 0 326.328 1.576 20 5 EDBDRO CC[N@H+]1C[C@@H](C)N(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000347708844 143352546 /nfs/dbraw/zinc/35/25/46/143352546.db2.gz SJVVZWCGXDKWJH-LZWOXQAQSA-N 1 0 337.420 1.749 20 5 EDBDRO CCOC(=O)c1ccnc(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000420267577 285968738 /nfs/dbraw/zinc/96/87/38/285968738.db2.gz GWXGZYNLUSUVPW-STQMWFEESA-N 1 0 348.403 1.992 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000573238959 306616464 /nfs/dbraw/zinc/61/64/64/306616464.db2.gz GKJDVUXJDCDAPB-FRFSOERESA-N 1 0 336.388 1.882 20 5 EDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@H]1C ZINC000352665456 149107875 /nfs/dbraw/zinc/10/78/75/149107875.db2.gz QNLTTWIEILLNQS-MNOVXSKESA-N 1 0 335.360 1.878 20 5 EDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353156982 149305536 /nfs/dbraw/zinc/30/55/36/149305536.db2.gz WGNPZBBCRRPMRF-JKSUJKDBSA-N 1 0 332.404 1.759 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000354921764 150033576 /nfs/dbraw/zinc/03/35/76/150033576.db2.gz AJIFMDRWMOXKHC-SMDDNHRTSA-N 1 0 338.360 1.349 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)cc1[N+](=O)[O-] ZINC000355048865 150092103 /nfs/dbraw/zinc/09/21/03/150092103.db2.gz FUXQAJYMCROPDX-BXUZGUMPSA-N 1 0 338.360 1.349 20 5 EDBDRO C[C@H]1COCCN1CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000355062993 150098297 /nfs/dbraw/zinc/09/82/97/150098297.db2.gz GXGNVWSXCVZYET-NSHDSACASA-N 1 0 332.360 1.527 20 5 EDBDRO O=[N+]([O-])c1ccn(Cc2nc(CC3=[NH+][C@@H]4CCCC[C@@H]4N3)no2)n1 ZINC000357955289 151208879 /nfs/dbraw/zinc/20/88/79/151208879.db2.gz WXVZRTWARUEXRL-AOOOYVTPSA-N 1 0 331.336 1.078 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000360572293 152103188 /nfs/dbraw/zinc/10/31/88/152103188.db2.gz XCXWBYBSVUZJCG-OAHLLOKOSA-N 1 0 339.417 1.586 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000360874060 152237758 /nfs/dbraw/zinc/23/77/58/152237758.db2.gz ZVBLZIAOWGPHKD-DDBAPUKQSA-N 1 0 349.431 1.812 20 5 EDBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC[N@@H+]1C ZINC000361083735 152298001 /nfs/dbraw/zinc/29/80/01/152298001.db2.gz QILXOVAMTLDELU-VHSXEESVSA-N 1 0 328.394 1.137 20 5 EDBDRO C[N@@H+]1CC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000364623497 153288918 /nfs/dbraw/zinc/28/89/18/153288918.db2.gz HAMZHXBOJLHGLO-IAQYHMDHSA-N 1 0 349.416 1.662 20 5 EDBDRO COC[C@]1(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000417236219 304386642 /nfs/dbraw/zinc/38/66/42/304386642.db2.gz SVHBPOKTBOMPEG-MRXNPFEDSA-N 1 0 336.392 1.205 20 5 EDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000367539094 154165816 /nfs/dbraw/zinc/16/58/16/154165816.db2.gz WJCQPPUWIJTBEZ-YOGCLGLASA-N 1 0 325.390 1.628 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000367694053 154232294 /nfs/dbraw/zinc/23/22/94/154232294.db2.gz BAFOCCIWPUMKMP-HOCLYGCPSA-N 1 0 332.404 1.873 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000373867448 157041306 /nfs/dbraw/zinc/04/13/06/157041306.db2.gz AEQJUFSXNUZRQY-CQSZACIVSA-N 1 0 335.408 1.705 20 5 EDBDRO C[N@H+](C[C@H]1CC12CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)CC2)C1CC1 ZINC000374293651 157228328 /nfs/dbraw/zinc/22/83/28/157228328.db2.gz CRZKVMZDBQNAKE-CYBMUJFWSA-N 1 0 347.419 1.514 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000374392262 157273165 /nfs/dbraw/zinc/27/31/65/157273165.db2.gz KMTOZZKZLKYAQW-IIAWOOMASA-N 1 0 336.388 1.693 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000374628476 157349620 /nfs/dbraw/zinc/34/96/20/157349620.db2.gz YYNWUOAWPRHWQS-JIMOISOXSA-N 1 0 329.360 1.671 20 5 EDBDRO O=C(N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C12CCC[NH+]1CCC2 ZINC000378129112 158087297 /nfs/dbraw/zinc/08/72/97/158087297.db2.gz AQPICSRMMQRITR-UHFFFAOYSA-N 1 0 333.392 1.583 20 5 EDBDRO O=C([C@H]1CC12CC[NH+](CCn1ccc([N+](=O)[O-])n1)CC2)N1CCCC1 ZINC000378384164 158159641 /nfs/dbraw/zinc/15/96/41/158159641.db2.gz UPIGPPUSIYTVIE-CQSZACIVSA-N 1 0 347.419 1.516 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000378399370 158163812 /nfs/dbraw/zinc/16/38/12/158163812.db2.gz FRFPUJFYKFPLTQ-LBPRGKRZSA-N 1 0 335.408 1.855 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000378525242 158199960 /nfs/dbraw/zinc/19/99/60/158199960.db2.gz ZLCJUMQFZWMVJT-UHFFFAOYSA-N 1 0 335.408 1.577 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CN2CCCC[C@H]2CO1 ZINC000378538056 158203312 /nfs/dbraw/zinc/20/33/12/158203312.db2.gz FYYGCKWWVRHNEE-NWDGAFQWSA-N 1 0 334.376 1.160 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]Cc2cncn2C)cc1[N+](=O)[O-] ZINC000352473254 162200650 /nfs/dbraw/zinc/20/06/50/162200650.db2.gz RKUFPBNWNWUSSG-UHFFFAOYSA-N 1 0 334.332 1.170 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000362018593 162306554 /nfs/dbraw/zinc/30/65/54/162306554.db2.gz BWAHVVWHFJGDJT-TZMCWYRMSA-N 1 0 339.417 1.618 20 5 EDBDRO C[N@@H+]1CC[C@]2(CCN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000366518254 162388643 /nfs/dbraw/zinc/38/86/43/162388643.db2.gz IAMVEZKHGOSUGM-WMZOPIPTSA-N 1 0 344.415 1.728 20 5 EDBDRO [NH3+]C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000417989482 304442922 /nfs/dbraw/zinc/44/29/22/304442922.db2.gz LKHNQRHSLAGPLI-GFCCVEGCSA-N 1 0 326.784 1.827 20 5 EDBDRO C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000065601996 287240939 /nfs/dbraw/zinc/24/09/39/287240939.db2.gz IFJMQNRXCZVVST-ZDUSSCGKSA-N 1 0 348.403 1.770 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000123239464 222240219 /nfs/dbraw/zinc/24/02/19/222240219.db2.gz SWEPNBBRSFNNBT-ZDUSSCGKSA-N 1 0 346.387 1.478 20 5 EDBDRO C[C@@H]1C[C@H](N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000123351095 222262490 /nfs/dbraw/zinc/26/24/90/222262490.db2.gz NERCUBJEXGOOCM-UKRRQHHQSA-N 1 0 346.431 1.898 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000132863446 287530976 /nfs/dbraw/zinc/53/09/76/287530976.db2.gz KKNCSZYPAAAMCF-LBPRGKRZSA-N 1 0 338.383 1.490 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccccn2)n1 ZINC000191806526 272981729 /nfs/dbraw/zinc/98/17/29/272981729.db2.gz PTMHQBMFNQMOPI-UHFFFAOYSA-N 1 0 346.391 1.410 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])NC1CC[NH+](CC2CC2)CC1 ZINC000194224063 273001377 /nfs/dbraw/zinc/00/13/77/273001377.db2.gz UOOMBAARTSCQLP-UHFFFAOYSA-N 1 0 333.388 1.964 20 5 EDBDRO Cc1nn(Cc2ccc(C(=O)NC[C@@H](C)C[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000237388688 273009574 /nfs/dbraw/zinc/00/95/74/273009574.db2.gz QAAIATSKXJEAOL-NSHDSACASA-N 1 0 345.403 1.781 20 5 EDBDRO [NH3+]C[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000237814052 273013044 /nfs/dbraw/zinc/01/30/44/273013044.db2.gz NKLXKFWPOKXVQP-OAHLLOKOSA-N 1 0 341.433 1.922 20 5 EDBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CCS(=O)(=O)CC1 ZINC000275318148 268321585 /nfs/dbraw/zinc/32/15/85/268321585.db2.gz KNCIEMSEKSWFTC-LBPRGKRZSA-N 1 0 326.418 1.940 20 5 EDBDRO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000275472105 268347679 /nfs/dbraw/zinc/34/76/79/268347679.db2.gz AOQQSSVQWZNNJE-AWEZNQCLSA-N 1 0 328.376 1.738 20 5 EDBDRO O=c1[nH]ccnc1N1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000275528797 268355013 /nfs/dbraw/zinc/35/50/13/268355013.db2.gz LQXZSIRGSWUFDI-CYBMUJFWSA-N 1 0 329.360 1.849 20 5 EDBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000273539089 273042683 /nfs/dbraw/zinc/04/26/83/273042683.db2.gz SRUTZBYSOSXOBS-LBPRGKRZSA-N 1 0 338.412 1.163 20 5 EDBDRO COc1cc(C(=O)NCC2(O)CC[NH+](C)CC2)cc([N+](=O)[O-])c1C ZINC000276904255 273168851 /nfs/dbraw/zinc/16/88/51/273168851.db2.gz NXUSDSZPWYLTQD-UHFFFAOYSA-N 1 0 337.376 1.098 20 5 EDBDRO CC[C@H](NC(=O)C(=O)NC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000283846101 273981918 /nfs/dbraw/zinc/98/19/18/273981918.db2.gz BIUDQPCANURLHO-HNNXBMFYSA-N 1 0 348.403 1.373 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](CCOC)C2)c1 ZINC000283898757 274002625 /nfs/dbraw/zinc/00/26/25/274002625.db2.gz JAEQATQWEPDQQX-LBPRGKRZSA-N 1 0 337.376 1.444 20 5 EDBDRO Cn1nccc1[C@H]1[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC(=O)N1C ZINC000284599282 274259194 /nfs/dbraw/zinc/25/91/94/274259194.db2.gz AHFNTRWDOLMZHW-RHSMWYFYSA-N 1 0 343.387 1.432 20 5 EDBDRO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000189891229 274349518 /nfs/dbraw/zinc/34/95/18/274349518.db2.gz NIPKNIAMNSBJEC-CQSZACIVSA-N 1 0 337.420 1.751 20 5 EDBDRO C[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H](C)[N@H+]1CCO ZINC000450797002 274371477 /nfs/dbraw/zinc/37/14/77/274371477.db2.gz RUKGCDGAIIFULY-TXEJJXNPSA-N 1 0 331.376 1.429 20 5 EDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000285482180 274557892 /nfs/dbraw/zinc/55/78/92/274557892.db2.gz ICYZOTLFRSITPJ-IUODEOHRSA-N 1 0 332.404 1.752 20 5 EDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000128707779 274955872 /nfs/dbraw/zinc/95/58/72/274955872.db2.gz KFVIMZQGKFBAAG-TZMCWYRMSA-N 1 0 330.344 1.436 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Br)C[C@H]12 ZINC000261606234 274959352 /nfs/dbraw/zinc/95/93/52/274959352.db2.gz RMTKIEIIMVIWPV-POZPLHJXSA-N 1 0 327.182 1.926 20 5 EDBDRO CC(C)[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000270924852 275670742 /nfs/dbraw/zinc/67/07/42/275670742.db2.gz DIDCBKXIFIIEAH-CYBMUJFWSA-N 1 0 337.424 1.815 20 5 EDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000285982907 287906893 /nfs/dbraw/zinc/90/68/93/287906893.db2.gz HXDYLMIKYCEEGH-UEKVPHQBSA-N 1 0 344.375 1.292 20 5 EDBDRO COC(=O)c1cnc(N2CCC3(CCC[N@@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000372790477 277167836 /nfs/dbraw/zinc/16/78/36/277167836.db2.gz LDWIIAXBICKZGV-UHFFFAOYSA-N 1 0 334.376 1.841 20 5 EDBDRO C[C@@H]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000261882810 277737542 /nfs/dbraw/zinc/73/75/42/277737542.db2.gz UHSKTLHAKHKILK-DOMZBBRYSA-N 1 0 348.403 1.301 20 5 EDBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000331196350 278114171 /nfs/dbraw/zinc/11/41/71/278114171.db2.gz SDNVJKBUOQSPOI-HUUCEWRRSA-N 1 0 341.433 1.587 20 5 EDBDRO C[C@@H](CCC[NH3+])NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418717625 278227838 /nfs/dbraw/zinc/22/78/38/278227838.db2.gz ZQGORCMKRHALCO-ZDUSSCGKSA-N 1 0 335.408 1.554 20 5 EDBDRO C[C@@H]1CN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000261820312 278802776 /nfs/dbraw/zinc/80/27/76/278802776.db2.gz WODUMPHWYCYRLS-PWSUYJOCSA-N 1 0 342.421 1.019 20 5 EDBDRO CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000109705734 279141943 /nfs/dbraw/zinc/14/19/43/279141943.db2.gz ABUNXRZWFYGTMM-SNVBAGLBSA-N 1 0 335.813 1.900 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000264800043 279289242 /nfs/dbraw/zinc/28/92/42/279289242.db2.gz UBBZISHNAQPTDF-UHFFFAOYSA-N 1 0 335.360 1.534 20 5 EDBDRO Cc1c(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000262846114 280216693 /nfs/dbraw/zinc/21/66/93/280216693.db2.gz JKCNNSQTAKSMNS-ZYHUDNBSSA-N 1 0 344.375 1.354 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000262484576 280259535 /nfs/dbraw/zinc/25/95/35/280259535.db2.gz KGHVLEJRXMVHBC-JQWIXIFHSA-N 1 0 327.406 1.509 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1C ZINC000193407484 280655566 /nfs/dbraw/zinc/65/55/66/280655566.db2.gz HYHRQXXSXHVLFB-SKDRFNHKSA-N 1 0 327.406 1.488 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000237509108 280663413 /nfs/dbraw/zinc/66/34/13/280663413.db2.gz PDEWVFXJUJSCLV-GWCFXTLKSA-N 1 0 327.406 1.651 20 5 EDBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000289676010 288758022 /nfs/dbraw/zinc/75/80/22/288758022.db2.gz RVDGPAGPCFNAGI-JKSUJKDBSA-N 1 0 332.404 1.632 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000291855199 289197630 /nfs/dbraw/zinc/19/76/30/289197630.db2.gz IFGVXCRBRPUQEC-HNNXBMFYSA-N 1 0 339.417 1.620 20 5 EDBDRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292011721 289238155 /nfs/dbraw/zinc/23/81/55/289238155.db2.gz MTXRFFIDLUZFHI-AWEZNQCLSA-N 1 0 325.390 1.311 20 5 EDBDRO COc1cc(OCC(=O)N[C@@H](C)CCCC[NH3+])ccc1[N+](=O)[O-] ZINC000292221610 289291948 /nfs/dbraw/zinc/29/19/48/289291948.db2.gz ZTDFMGWZOSHILG-NSHDSACASA-N 1 0 325.365 1.616 20 5 EDBDRO COc1cc(N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000292386715 289332690 /nfs/dbraw/zinc/33/26/90/289332690.db2.gz TUYFCLGRVDZLIW-ZYHUDNBSSA-N 1 0 327.356 1.634 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1F ZINC000292553169 289379638 /nfs/dbraw/zinc/37/96/38/289379638.db2.gz HSGTXPGIRAXVAD-SECBINFHSA-N 1 0 333.385 1.518 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000292631162 289399849 /nfs/dbraw/zinc/39/98/49/289399849.db2.gz YYKHZWVULXEOGG-IAQYHMDHSA-N 1 0 347.371 1.596 20 5 EDBDRO C[C@H](C[NH3+])NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420427300 289551016 /nfs/dbraw/zinc/55/10/16/289551016.db2.gz QYCLHNWXMQDRAQ-ZCFIWIBFSA-N 1 0 327.284 1.239 20 5 EDBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453336421 293842943 /nfs/dbraw/zinc/84/29/43/293842943.db2.gz YBDFWHMTLQAWKV-KBUPBQIOSA-N 1 0 338.408 1.916 20 5 EDBDRO COc1cc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000342903551 295015923 /nfs/dbraw/zinc/01/59/23/295015923.db2.gz RLKHUTCFZLPLMV-NSHDSACASA-N 1 0 343.405 1.495 20 5 EDBDRO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000449592913 301094944 /nfs/dbraw/zinc/09/49/44/301094944.db2.gz TWVDECDNNHKZTE-SLEUVZQESA-N 1 0 348.403 1.360 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1C ZINC000262327450 301426822 /nfs/dbraw/zinc/42/68/22/301426822.db2.gz RZZZDIJOIWLCEM-NEPJUHHUSA-N 1 0 327.406 1.569 20 5 EDBDRO C[C@@H]1CN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000420278000 304742415 /nfs/dbraw/zinc/74/24/15/304742415.db2.gz NIFJQTHFUDDDBH-PWSUYJOCSA-N 1 0 329.360 1.343 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420448897 304759928 /nfs/dbraw/zinc/75/99/28/304759928.db2.gz JSOIWOZIYVBWNT-ZDUSSCGKSA-N 1 0 327.406 1.151 20 5 EDBDRO CCOc1cc(NC(=O)N[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OCC ZINC000414752657 447322272 /nfs/dbraw/zinc/32/22/72/447322272.db2.gz CFYFODCEHLIVPD-VIFPVBQESA-N 1 0 326.353 1.861 20 5 EDBDRO C[NH+](C)CCn1nccc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000294189806 303075001 /nfs/dbraw/zinc/07/50/01/303075001.db2.gz UGZJWBYTYNCZQM-UHFFFAOYSA-N 1 0 347.375 1.761 20 5 EDBDRO Cc1nc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000294956465 303156940 /nfs/dbraw/zinc/15/69/40/303156940.db2.gz MXMFUPKFPAWQAJ-OAHLLOKOSA-N 1 0 343.387 1.524 20 5 EDBDRO CN(C)C(=O)C1([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000295153774 303180966 /nfs/dbraw/zinc/18/09/66/303180966.db2.gz NVVLUZBBERSDLL-UHFFFAOYSA-N 1 0 348.403 1.914 20 5 EDBDRO COc1cc(C[NH2+][C@H]2CCCN(CCCO)C2)c([N+](=O)[O-])cc1O ZINC000295174923 303183873 /nfs/dbraw/zinc/18/38/73/303183873.db2.gz UVEFZNQWBWVBSN-ZDUSSCGKSA-N 1 0 339.392 1.245 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C1CC1)C1COC1 ZINC000295460369 303222819 /nfs/dbraw/zinc/22/28/19/303222819.db2.gz QCTFKGRAHQSTPF-UHFFFAOYSA-N 1 0 335.360 1.795 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C(C)(C)C(N)=O ZINC000295697924 303254008 /nfs/dbraw/zinc/25/40/08/303254008.db2.gz MDPRTDXDNOCDTC-UHFFFAOYSA-N 1 0 338.364 1.128 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000296003352 303288749 /nfs/dbraw/zinc/28/87/49/303288749.db2.gz MZXBBUXWWNBTTH-IMJJTQAJSA-N 1 0 333.388 1.694 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000296417634 303315358 /nfs/dbraw/zinc/31/53/58/303315358.db2.gz VLGXHWQPJFSGIU-LYRGGWFBSA-N 1 0 349.387 1.945 20 5 EDBDRO [NH3+][C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[C@H]1c1ccc(F)cc1 ZINC000297110894 303360503 /nfs/dbraw/zinc/36/05/03/303360503.db2.gz FVYIVWCELXJITK-KBPBESRZSA-N 1 0 347.350 1.274 20 5 EDBDRO [NH3+][C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1c1ccc(F)cc1 ZINC000297200130 303371857 /nfs/dbraw/zinc/37/18/57/303371857.db2.gz MQOCJHOOTCDALF-LSDHHAIUSA-N 1 0 347.350 1.274 20 5 EDBDRO C[C@@]1(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC[NH2+]C1 ZINC000392114507 303851340 /nfs/dbraw/zinc/85/13/40/303851340.db2.gz OUDFFRMSEKJFIF-MRXNPFEDSA-N 1 0 333.392 1.028 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC1CC[NH+](C)CC1 ZINC000411250469 303891722 /nfs/dbraw/zinc/89/17/22/303891722.db2.gz ZBWVJHSURWMUTM-UHFFFAOYSA-N 1 0 348.403 1.608 20 5 EDBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000411896143 303928099 /nfs/dbraw/zinc/92/80/99/303928099.db2.gz XYKIKRMSXVZQMH-BMFZPTHFSA-N 1 0 332.360 1.054 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000423572383 304899047 /nfs/dbraw/zinc/89/90/47/304899047.db2.gz VFQVVXFUJLNJEU-JSGCOSHPSA-N 1 0 348.403 1.159 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)cc([N+](=O)[O-])c1 ZINC000423723932 304905831 /nfs/dbraw/zinc/90/58/31/304905831.db2.gz GSXXKTRINHMETG-CYBMUJFWSA-N 1 0 335.360 1.642 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000424015457 304925043 /nfs/dbraw/zinc/92/50/43/304925043.db2.gz MXLRRUARYCYKOC-NWDGAFQWSA-N 1 0 337.376 1.426 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CCCC[NH3+] ZINC000427932468 305001497 /nfs/dbraw/zinc/00/14/97/305001497.db2.gz GJPDDHGOFITLEO-LLVKDONJSA-N 1 0 329.422 1.953 20 5 EDBDRO [NH3+]C[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000428535292 305011001 /nfs/dbraw/zinc/01/10/01/305011001.db2.gz HANRDUSHQYICCD-SNVBAGLBSA-N 1 0 330.344 1.660 20 5 EDBDRO COCC[C@@]1(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC[NH2+]C1 ZINC000429973101 305041763 /nfs/dbraw/zinc/04/17/63/305041763.db2.gz MWSWHXHPSDNURH-INIZCTEOSA-N 1 0 337.376 1.236 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000430567734 305056209 /nfs/dbraw/zinc/05/62/09/305056209.db2.gz GDBSRAQHMSYCEJ-TZMCWYRMSA-N 1 0 332.404 1.543 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[C@@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430939429 305069545 /nfs/dbraw/zinc/06/95/45/305069545.db2.gz GGJJYFJEKGNZDG-WCQYABFASA-N 1 0 336.392 1.601 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433386354 305107315 /nfs/dbraw/zinc/10/73/15/305107315.db2.gz DAZYMUYIJDNKNZ-CQSZACIVSA-N 1 0 344.375 1.083 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1C ZINC000440439052 305206763 /nfs/dbraw/zinc/20/67/63/305206763.db2.gz CUDHKYHJQXJMOV-CMPLNLGQSA-N 1 0 327.406 1.569 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000440823103 305212930 /nfs/dbraw/zinc/21/29/30/305212930.db2.gz CZQHSNXLTPJAMC-VXGBXAGGSA-N 1 0 327.406 1.569 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)s1 ZINC000440839509 305213270 /nfs/dbraw/zinc/21/32/70/305213270.db2.gz BRUDWKJRPDAISH-LLVKDONJSA-N 1 0 345.446 1.809 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000440851858 305213341 /nfs/dbraw/zinc/21/33/41/305213341.db2.gz WLNHTUOCNUDKRJ-RKDXNWHRSA-N 1 0 347.368 1.100 20 5 EDBDRO CCOC1CC(O)(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447557230 305282147 /nfs/dbraw/zinc/28/21/47/305282147.db2.gz JECXDVLQZMGMNJ-IOSBVQAASA-N 1 0 338.408 1.795 20 5 EDBDRO O=C1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CN1C1CC1 ZINC000447574886 305282441 /nfs/dbraw/zinc/28/24/41/305282441.db2.gz PMLFRDJMRHYAAT-UBHSHLNASA-N 1 0 333.392 1.628 20 5 EDBDRO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000448923305 305304358 /nfs/dbraw/zinc/30/43/58/305304358.db2.gz UJRZCFOWHDCQSI-AWEZNQCLSA-N 1 0 341.371 1.905 20 5 EDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCCS1(=O)=O ZINC000449134270 305307294 /nfs/dbraw/zinc/30/72/94/305307294.db2.gz HYLUMFUZTZFRMA-GFCCVEGCSA-N 1 0 327.406 1.151 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]21 ZINC000451630950 305357415 /nfs/dbraw/zinc/35/74/15/305357415.db2.gz MWHSVZOZWMVJMZ-OCCSQVGLSA-N 1 0 329.360 1.781 20 5 EDBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000452341388 305389946 /nfs/dbraw/zinc/38/99/46/305389946.db2.gz CUEYUKBLSRTJAO-LBPRGKRZSA-N 1 0 335.408 1.812 20 5 EDBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000452392238 305397310 /nfs/dbraw/zinc/39/73/10/305397310.db2.gz QYVOZBVLBDCFPX-CYBMUJFWSA-N 1 0 346.387 1.653 20 5 EDBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000493395666 305615922 /nfs/dbraw/zinc/61/59/22/305615922.db2.gz VODAYJOKJLZCMT-RGTXRHFESA-N 1 0 345.399 1.963 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000449191182 447366647 /nfs/dbraw/zinc/36/66/47/447366647.db2.gz OGUWDDLULHUNKE-KBPBESRZSA-N 1 0 333.388 1.822 20 5 EDBDRO CS[C@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000539198950 306034878 /nfs/dbraw/zinc/03/48/78/306034878.db2.gz XULBFQGSRMSMFD-KBPBESRZSA-N 1 0 349.416 1.725 20 5 EDBDRO COc1ccc(CC(=O)NCC2(C)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000543743028 306068639 /nfs/dbraw/zinc/06/86/39/306068639.db2.gz CGZLKVXJBXIPSW-UHFFFAOYSA-N 1 0 335.404 1.994 20 5 EDBDRO C[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000548698212 306135570 /nfs/dbraw/zinc/13/55/70/306135570.db2.gz IMQBMCUWZFSFDT-LBPRGKRZSA-N 1 0 327.406 1.499 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000554522765 306194434 /nfs/dbraw/zinc/19/44/34/306194434.db2.gz DMPMZLQUDOBMGM-STQMWFEESA-N 1 0 336.392 1.191 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000554522762 306194443 /nfs/dbraw/zinc/19/44/43/306194443.db2.gz DMPMZLQUDOBMGM-CHWSQXEVSA-N 1 0 336.392 1.191 20 5 EDBDRO CC[C@H]1C[N@H+](C)CCN1c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000555242705 306200665 /nfs/dbraw/zinc/20/06/65/306200665.db2.gz WFPZSMASSVEVJC-NSHDSACASA-N 1 0 342.421 1.033 20 5 EDBDRO C[N@@H+]1C[C@@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000377830233 447375717 /nfs/dbraw/zinc/37/57/17/447375717.db2.gz BXWVTHKICORCHB-IPYPFGDCSA-N 1 0 340.387 1.706 20 5 EDBDRO COc1cc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc([N+](=O)[O-])c1OC ZINC000449670701 447383338 /nfs/dbraw/zinc/38/33/38/447383338.db2.gz XUXXSKIVUUDKQZ-NSHDSACASA-N 1 0 345.302 1.339 20 5 EDBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000045313792 440972209 /nfs/dbraw/zinc/97/22/09/440972209.db2.gz ZZEUVWORMZOBEY-UHFFFAOYSA-N 1 0 329.360 1.828 20 5 EDBDRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000046035059 441071641 /nfs/dbraw/zinc/07/16/41/441071641.db2.gz OWKBCCBTAFHOJG-LBPRGKRZSA-N 1 0 327.406 1.605 20 5 EDBDRO CC[NH+]1CCC(Nc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000007365292 441048552 /nfs/dbraw/zinc/04/85/52/441048552.db2.gz SZJFDBFJMRDKOC-UHFFFAOYSA-N 1 0 342.421 1.399 20 5 EDBDRO COc1cc(C(=O)NC[C@H](C)[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000046272515 441097950 /nfs/dbraw/zinc/09/79/50/441097950.db2.gz HHCHEMKDHJXQON-QMMMGPOBSA-N 1 0 347.318 1.885 20 5 EDBDRO CC[NH+]1CCC(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000061031807 441264246 /nfs/dbraw/zinc/26/42/46/441264246.db2.gz INIFPAUWFLVFIQ-UHFFFAOYSA-N 1 0 344.375 1.390 20 5 EDBDRO CCC[NH+]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000073076485 441290783 /nfs/dbraw/zinc/29/07/83/441290783.db2.gz WSPJFGRZBWXSMI-UHFFFAOYSA-N 1 0 349.387 1.463 20 5 EDBDRO COc1cc(C(=O)NC[C@H](C)[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000063733324 441347885 /nfs/dbraw/zinc/34/78/85/441347885.db2.gz WFXNAYOJDSZAQI-NSHDSACASA-N 1 0 337.376 1.826 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000063645152 441340364 /nfs/dbraw/zinc/34/03/64/441340364.db2.gz VKQNUMZJYZLKSB-UHFFFAOYSA-N 1 0 343.355 1.197 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000415438137 447439492 /nfs/dbraw/zinc/43/94/92/447439492.db2.gz LQRXPXDHKYHLBR-WCQYABFASA-N 1 0 348.403 1.682 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000106483407 441346631 /nfs/dbraw/zinc/34/66/31/441346631.db2.gz SQEJAWZTXQHEOS-GFCCVEGCSA-N 1 0 347.419 1.527 20 5 EDBDRO Cc1cc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000074137759 441398820 /nfs/dbraw/zinc/39/88/20/441398820.db2.gz NTIDUKKYVXHFJM-ZDUSSCGKSA-N 1 0 334.420 1.517 20 5 EDBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000085786087 441449616 /nfs/dbraw/zinc/44/96/16/441449616.db2.gz ZDAXSHNTRIIHFM-CYBMUJFWSA-N 1 0 341.433 1.698 20 5 EDBDRO COc1cc(OCC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000108307360 441442956 /nfs/dbraw/zinc/44/29/56/441442956.db2.gz DWLFOCUZYHFQJY-CYBMUJFWSA-N 1 0 349.387 1.583 20 5 EDBDRO O=C(NCCCC[NH+]1CCOCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000053450059 441523464 /nfs/dbraw/zinc/52/34/64/441523464.db2.gz RQPFDCNEYLDCSA-UHFFFAOYSA-N 1 0 347.375 1.313 20 5 EDBDRO Cc1nc(C)c([C@H](C)[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000075718260 441551329 /nfs/dbraw/zinc/55/13/29/441551329.db2.gz SNVPFRZXEAJJJP-GWCFXTLKSA-N 1 0 339.421 1.919 20 5 EDBDRO CC[NH+]1CCN([C@H](C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000112917581 441567363 /nfs/dbraw/zinc/56/73/63/441567363.db2.gz NAGAJCVRUNLYRM-CQSZACIVSA-N 1 0 334.420 1.280 20 5 EDBDRO CCS[C@@H]1CC[C@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000076071289 441592689 /nfs/dbraw/zinc/59/26/89/441592689.db2.gz CCFBEGXKJTZMLO-FPMFFAJLSA-N 1 0 328.438 1.758 20 5 EDBDRO C[C@@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[NH+]1CCCC1 ZINC000067136596 441608788 /nfs/dbraw/zinc/60/87/88/441608788.db2.gz JVLSOHSHTGNMKO-LBPRGKRZSA-N 1 0 344.375 1.390 20 5 EDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@]1(O)CCSC1 ZINC000158197402 441704472 /nfs/dbraw/zinc/70/44/72/441704472.db2.gz CAENPKMOKSOALL-NHYWBVRUSA-N 1 0 339.417 1.770 20 5 EDBDRO CCOc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000067703057 441669596 /nfs/dbraw/zinc/66/95/96/441669596.db2.gz OKQHTIQMYXKPBG-NSHDSACASA-N 1 0 349.387 1.969 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000068342031 441779649 /nfs/dbraw/zinc/77/96/49/441779649.db2.gz MKQMJPLKUDRUCJ-CYBMUJFWSA-N 1 0 335.360 1.548 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000068342411 441780233 /nfs/dbraw/zinc/78/02/33/441780233.db2.gz FTSFGYFWDQIAJE-AWEZNQCLSA-N 1 0 349.387 1.938 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+]2C)cc1OC ZINC000139181469 441806869 /nfs/dbraw/zinc/80/68/69/441806869.db2.gz KCGYNBIDHIAAJJ-LLVKDONJSA-N 1 0 337.376 1.826 20 5 EDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000092687694 441822060 /nfs/dbraw/zinc/82/20/60/441822060.db2.gz CXZYHNMUXJTTQI-OAHLLOKOSA-N 1 0 333.436 1.905 20 5 EDBDRO Cn1cc(C[C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cn1 ZINC000159865621 441842644 /nfs/dbraw/zinc/84/26/44/441842644.db2.gz WQXQJBWOYNAFJQ-ZDUSSCGKSA-N 1 0 331.376 1.055 20 5 EDBDRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1c([N+](=O)[O-])ncn1C ZINC000078307319 441916528 /nfs/dbraw/zinc/91/65/28/441916528.db2.gz UIFZBUYIVGHAFI-AWEZNQCLSA-N 1 0 344.419 1.951 20 5 EDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000149546952 441925039 /nfs/dbraw/zinc/92/50/39/441925039.db2.gz HJSRZOGWXMQITJ-ZIAGYGMSSA-N 1 0 337.424 1.666 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000069129105 441895785 /nfs/dbraw/zinc/89/57/85/441895785.db2.gz JMWLBWLLACYNOQ-NSHDSACASA-N 1 0 327.406 1.664 20 5 EDBDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174859639 441975350 /nfs/dbraw/zinc/97/53/50/441975350.db2.gz QEZZHCIALAEAQO-CYBMUJFWSA-N 1 0 337.424 1.666 20 5 EDBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCCC[NH+]1CCCC1 ZINC000078482511 441934986 /nfs/dbraw/zinc/93/49/86/441934986.db2.gz KLJUVEXQXXCOBC-UHFFFAOYSA-N 1 0 348.403 1.317 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000078572662 441945385 /nfs/dbraw/zinc/94/53/85/441945385.db2.gz NLRBXBWBJJSSGB-NSHDSACASA-N 1 0 343.405 1.224 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000161882711 442041042 /nfs/dbraw/zinc/04/10/42/442041042.db2.gz LIRCKBYPBYZPFB-IAQYHMDHSA-N 1 0 345.403 1.542 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)n1 ZINC000176250415 442199805 /nfs/dbraw/zinc/19/98/05/442199805.db2.gz SQAPUJZDVVNRDS-CYBMUJFWSA-N 1 0 341.375 1.714 20 5 EDBDRO O=C(CN1CC[C@@H]([NH+]2CCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000170743026 442256502 /nfs/dbraw/zinc/25/65/02/442256502.db2.gz JBEOIKZTKJGXPK-MRXNPFEDSA-N 1 0 344.415 1.654 20 5 EDBDRO C[C@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H](C)[NH2+]1 ZINC000153582664 442290387 /nfs/dbraw/zinc/29/03/87/442290387.db2.gz XBHVKVYDPAVFNZ-QWRGUYRKSA-N 1 0 335.360 1.117 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000170994348 442297140 /nfs/dbraw/zinc/29/71/40/442297140.db2.gz JRLVWIQKBBTKCZ-UHFFFAOYSA-N 1 0 345.421 1.470 20 5 EDBDRO CC[C@]1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC[NH2+]1 ZINC000129018242 442298303 /nfs/dbraw/zinc/29/83/03/442298303.db2.gz KOCLVJYNCCHCCN-QGZVFWFLSA-N 1 0 332.404 1.776 20 5 EDBDRO CC(C)OC(=O)C[C@H](NC(=O)C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000171203436 442327385 /nfs/dbraw/zinc/32/73/85/442327385.db2.gz AJWNQBXOVCNUIZ-ZDUSSCGKSA-N 1 0 337.376 1.655 20 5 EDBDRO CC(C)[N@H+](C)CCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000171247883 442333486 /nfs/dbraw/zinc/33/34/86/442333486.db2.gz IGUWXOLHEDWKBQ-UHFFFAOYSA-N 1 0 349.435 1.767 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000171129021 442317698 /nfs/dbraw/zinc/31/76/98/442317698.db2.gz FBXFJIUXCFUMBF-UHFFFAOYSA-N 1 0 336.392 1.477 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000171628704 442364247 /nfs/dbraw/zinc/36/42/47/442364247.db2.gz YIGJMLKOVFHRFH-NSHDSACASA-N 1 0 327.406 1.651 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)cc1C ZINC000171635564 442365132 /nfs/dbraw/zinc/36/51/32/442365132.db2.gz ZLCJFQOHPRQPHK-LBPRGKRZSA-N 1 0 327.406 1.490 20 5 EDBDRO COc1ccc(CSCC(=O)N2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000132233999 442389796 /nfs/dbraw/zinc/38/97/96/442389796.db2.gz OOFKDTOOQUYSPZ-NSHDSACASA-N 1 0 325.390 1.396 20 5 EDBDRO CCc1n[nH]c(C(=O)NCc2ccc(C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000171943121 442392051 /nfs/dbraw/zinc/39/20/51/442392051.db2.gz OFKZKBHXBAZNNW-UHFFFAOYSA-N 1 0 331.376 1.872 20 5 EDBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000178001141 442400474 /nfs/dbraw/zinc/40/04/74/442400474.db2.gz YVFKMEZMDMMVRD-NSHDSACASA-N 1 0 327.406 1.651 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000155631771 442414639 /nfs/dbraw/zinc/41/46/39/442414639.db2.gz USCHODKGXMRAON-OAHLLOKOSA-N 1 0 334.332 1.637 20 5 EDBDRO COc1cc(CCNC(=O)C[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000178349047 442427008 /nfs/dbraw/zinc/42/70/08/442427008.db2.gz ABRIIVLKRSVNTF-LBPRGKRZSA-N 1 0 337.376 1.413 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172421497 442458228 /nfs/dbraw/zinc/45/82/28/442458228.db2.gz PBXCGBFLVGKVPN-UHFFFAOYSA-N 1 0 335.408 1.658 20 5 EDBDRO COc1cc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000134192541 442456730 /nfs/dbraw/zinc/45/67/30/442456730.db2.gz NJGVXQKCZCNDQD-UHFFFAOYSA-N 1 0 343.405 1.318 20 5 EDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000178714253 442461636 /nfs/dbraw/zinc/46/16/36/442461636.db2.gz BFGRGSOMDOWQEU-CYBMUJFWSA-N 1 0 349.309 1.656 20 5 EDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@H](c1ccccc1)[NH+](C)C ZINC000186485916 442543515 /nfs/dbraw/zinc/54/35/15/442543515.db2.gz ZZZVTNCWVLZALV-XHDPSFHLSA-N 1 0 343.387 1.993 20 5 EDBDRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000178900652 442520118 /nfs/dbraw/zinc/52/01/18/442520118.db2.gz YGOXABOBYDOYNK-LLVKDONJSA-N 1 0 327.406 1.484 20 5 EDBDRO CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000191881665 442531509 /nfs/dbraw/zinc/53/15/09/442531509.db2.gz CWKAYTIWWIPKIF-WCQYABFASA-N 1 0 327.768 1.584 20 5 EDBDRO O=C1NCCCN1C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000135446428 442597041 /nfs/dbraw/zinc/59/70/41/442597041.db2.gz ULMPENBZOOIAMJ-UHFFFAOYSA-N 1 0 348.403 1.853 20 5 EDBDRO Cc1c(NC(=O)CC[NH2+][C@H]2C(=O)NCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000193584070 442756260 /nfs/dbraw/zinc/75/62/60/442756260.db2.gz WASXFYOVKWOLRQ-MEBBXXQBSA-N 1 0 334.376 1.346 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000193272384 442727936 /nfs/dbraw/zinc/72/79/36/442727936.db2.gz CZFLZFDBGCFCSY-ZDUSSCGKSA-N 1 0 341.433 1.880 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268169311 442882368 /nfs/dbraw/zinc/88/23/68/442882368.db2.gz PQAPTPUKMCJKOV-BXUZGUMPSA-N 1 0 339.417 1.664 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000248590531 442904091 /nfs/dbraw/zinc/90/40/91/442904091.db2.gz GZZJAJHFNLBTOT-MRVWCRGKSA-N 1 0 325.390 1.094 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c([N+](=O)[O-])c1 ZINC000189318512 442920156 /nfs/dbraw/zinc/92/01/56/442920156.db2.gz PTVCAVAMGJNTDD-MWLCHTKSSA-N 1 0 329.378 1.022 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000265815930 442932175 /nfs/dbraw/zinc/93/21/75/442932175.db2.gz VPQAYRXTPQTPBG-GJZGRUSLSA-N 1 0 345.403 1.623 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000194700580 442939434 /nfs/dbraw/zinc/93/94/34/442939434.db2.gz DKQCTZZRQNDPRJ-CQSZACIVSA-N 1 0 329.360 1.605 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194746044 442948020 /nfs/dbraw/zinc/94/80/20/442948020.db2.gz CILAEAUMXFSQEX-CQSZACIVSA-N 1 0 343.387 1.580 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000194806916 442956628 /nfs/dbraw/zinc/95/66/28/442956628.db2.gz BTJINWLHWFERFE-AWEZNQCLSA-N 1 0 333.388 1.698 20 5 EDBDRO CC(C)[NH2+]C1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000183874314 442972690 /nfs/dbraw/zinc/97/26/90/442972690.db2.gz OFLNMXLYNJNDFI-UHFFFAOYSA-N 1 0 342.421 1.209 20 5 EDBDRO Cc1c(F)cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000184562657 443040190 /nfs/dbraw/zinc/04/01/90/443040190.db2.gz ZTLAHBQKCVORCN-NSHDSACASA-N 1 0 345.396 1.757 20 5 EDBDRO CN(Cc1nc2ccccc2s1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266482120 443141473 /nfs/dbraw/zinc/14/14/73/443141473.db2.gz TXQLGOFWXVLKOZ-LBPRGKRZSA-N 1 0 347.400 1.894 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](CCCO)Cc2ccccc2)c1 ZINC000268977658 443164357 /nfs/dbraw/zinc/16/43/57/443164357.db2.gz OBJQDEHDLWVEAB-MRXNPFEDSA-N 1 0 334.376 1.037 20 5 EDBDRO C[C@@H]1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@@H]1C[NH3+] ZINC000237450392 443171477 /nfs/dbraw/zinc/17/14/77/443171477.db2.gz CJQPJJQYXJKSFW-IAQYHMDHSA-N 1 0 344.375 1.375 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c1C ZINC000261959563 443176322 /nfs/dbraw/zinc/17/63/22/443176322.db2.gz XMOIMVIUKGCFHJ-GXFFZTMASA-N 1 0 341.433 1.817 20 5 EDBDRO Cc1cnc(N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC000262175760 443184786 /nfs/dbraw/zinc/18/47/86/443184786.db2.gz IFTLDEYSKSYXHC-UONOGXRCSA-N 1 0 347.419 1.383 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000262473317 443196055 /nfs/dbraw/zinc/19/60/55/443196055.db2.gz JLGXATKNJZQDLE-NXEZZACHSA-N 1 0 329.378 1.022 20 5 EDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000326817746 318945997 /nfs/dbraw/zinc/94/59/97/318945997.db2.gz FVBGTEPOKYIARK-YVACAVLKSA-N 1 0 330.388 1.114 20 5 EDBDRO [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000327753225 318946557 /nfs/dbraw/zinc/94/65/57/318946557.db2.gz NACWXHGGVSTEEW-ZFWWWQNUSA-N 1 0 347.419 1.546 20 5 EDBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262581264 443201419 /nfs/dbraw/zinc/20/14/19/443201419.db2.gz YYTLRBBJIBXGHH-ZJUUUORDSA-N 1 0 329.353 1.249 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1C ZINC000382485785 319123980 /nfs/dbraw/zinc/12/39/80/319123980.db2.gz GPCVJWONYMUOQT-NEPJUHHUSA-N 1 0 327.406 1.617 20 5 EDBDRO Cc1cc(NC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000411679297 319195310 /nfs/dbraw/zinc/19/53/10/319195310.db2.gz VZQIOMFNRMHVCQ-ZDUSSCGKSA-N 1 0 348.403 1.690 20 5 EDBDRO C[N@H+](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCC1 ZINC000264140953 443253124 /nfs/dbraw/zinc/25/31/24/443253124.db2.gz GEYAEQTUDLHDLN-UHFFFAOYSA-N 1 0 349.387 1.970 20 5 EDBDRO CCN1CC[C@@H]([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000414547776 319330143 /nfs/dbraw/zinc/33/01/43/319330143.db2.gz JBLGLYLUGMJWFH-CYBMUJFWSA-N 1 0 337.376 1.330 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000414648388 319335830 /nfs/dbraw/zinc/33/58/30/319335830.db2.gz BBRNGFXBPDCZGV-SKDRFNHKSA-N 1 0 338.364 1.838 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000266956249 443302702 /nfs/dbraw/zinc/30/27/02/443302702.db2.gz VNQSYZVAIYXKJT-HIFRSBDPSA-N 1 0 346.387 1.937 20 5 EDBDRO Cc1cc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000269446939 443312094 /nfs/dbraw/zinc/31/20/94/443312094.db2.gz UDSIHAOFSIUIIV-OAHLLOKOSA-N 1 0 335.404 1.870 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000264596824 443340547 /nfs/dbraw/zinc/34/05/47/443340547.db2.gz XARWDXDEIXTJKT-NSHDSACASA-N 1 0 339.417 1.767 20 5 EDBDRO COC(=O)/C=C/c1ccc(NC[C@@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000264681586 443372890 /nfs/dbraw/zinc/37/28/90/443372890.db2.gz AHBCNIHEGJOLCL-HZRUHFOJSA-N 1 0 348.403 1.439 20 5 EDBDRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269656846 443382637 /nfs/dbraw/zinc/38/26/37/443382637.db2.gz OTDOFTOIPKJBDV-DOTOQJQBSA-N 1 0 347.415 1.866 20 5 EDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COC1CCOCC1 ZINC000282544084 443370253 /nfs/dbraw/zinc/37/02/53/443370253.db2.gz WGRLGCBFLZOKSF-MRXNPFEDSA-N 1 0 338.404 1.626 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)[C@H]2C1 ZINC000272661913 443400963 /nfs/dbraw/zinc/40/09/63/443400963.db2.gz ROGMEJRUEDYXQI-ABAIWWIYSA-N 1 0 337.351 1.665 20 5 EDBDRO COc1ccc(OCC[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c([N+](=O)[O-])c1 ZINC000278971429 443477929 /nfs/dbraw/zinc/47/79/29/443477929.db2.gz XVLHRKTUCIENBW-MRXNPFEDSA-N 1 0 335.360 1.194 20 5 EDBDRO C[NH+](C)CCCCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000264951665 443489204 /nfs/dbraw/zinc/48/92/04/443489204.db2.gz YEAUDEYWXVILDJ-UHFFFAOYSA-N 1 0 343.405 1.070 20 5 EDBDRO Cn1cc([C@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CCO2)cn1 ZINC000267603305 443510853 /nfs/dbraw/zinc/51/08/53/443510853.db2.gz MHMPHRZALJWOKA-MRXNPFEDSA-N 1 0 332.360 1.781 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000423605054 319790888 /nfs/dbraw/zinc/79/08/88/319790888.db2.gz GPBHEZBJIYFJRZ-LBPRGKRZSA-N 1 0 349.778 1.768 20 5 EDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1C[C@H](F)CN1c1ccncn1 ZINC000279368630 443566227 /nfs/dbraw/zinc/56/62/27/443566227.db2.gz RQXBKSDVEWPXOJ-STQMWFEESA-N 1 0 349.370 1.130 20 5 EDBDRO Cc1nn(C)c(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000265152682 443551499 /nfs/dbraw/zinc/55/14/99/443551499.db2.gz ZANUAVCCGRVGAL-UHFFFAOYSA-N 1 0 337.424 1.829 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC000429330304 319925467 /nfs/dbraw/zinc/92/54/67/319925467.db2.gz PCWJLSKVERLIAY-RYUDHWBXSA-N 1 0 343.405 1.364 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c1[N+](=O)[O-] ZINC000440757462 320079743 /nfs/dbraw/zinc/07/97/43/320079743.db2.gz TUEHCKJKUQHLMS-VXGBXAGGSA-N 1 0 327.406 1.569 20 5 EDBDRO Cn1cc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000280109462 443665885 /nfs/dbraw/zinc/66/58/85/443665885.db2.gz AXZQGYGPUGXDEH-KRWDZBQOSA-N 1 0 343.387 1.693 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC[NH2+]C2)c2ncccc12 ZINC000440863247 320084603 /nfs/dbraw/zinc/08/46/03/320084603.db2.gz UODWXBNOUZEXBV-SNVBAGLBSA-N 1 0 336.373 1.031 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]CC2=CCOCC2)cc1[N+](=O)[O-] ZINC000449403300 320189108 /nfs/dbraw/zinc/18/91/08/320189108.db2.gz PKAHQWBVNLGDNP-UHFFFAOYSA-N 1 0 336.344 1.583 20 5 EDBDRO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000449433182 320190344 /nfs/dbraw/zinc/19/03/44/320190344.db2.gz LCZZPOVSCMZRKA-KFWWJZLASA-N 1 0 336.388 1.965 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000449430140 320190413 /nfs/dbraw/zinc/19/04/13/320190413.db2.gz WODDEUPEFDWBIC-OLZOCXBDSA-N 1 0 338.360 1.397 20 5 EDBDRO [NH3+]CC[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(F)F ZINC000449614459 320194910 /nfs/dbraw/zinc/19/49/10/320194910.db2.gz VTLIILJUOYVKSG-NSHDSACASA-N 1 0 328.319 1.881 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000449711090 320201015 /nfs/dbraw/zinc/20/10/15/320201015.db2.gz CNFAEWJBJWKVDY-NEPJUHHUSA-N 1 0 329.360 1.638 20 5 EDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000449749746 320205062 /nfs/dbraw/zinc/20/50/62/320205062.db2.gz GXHJMJMDWJGMLE-ZDUSSCGKSA-N 1 0 330.348 1.046 20 5 EDBDRO C[N@H+](CCCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1CC1 ZINC000457167293 320321499 /nfs/dbraw/zinc/32/14/99/320321499.db2.gz LXBJAALCZIVNNA-UHFFFAOYSA-N 1 0 335.360 1.928 20 5 EDBDRO C[C@H](CO)[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000280361262 443702858 /nfs/dbraw/zinc/70/28/58/443702858.db2.gz JTBQOISOAJOBMY-UKRRQHHQSA-N 1 0 338.404 1.817 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000298493556 443783272 /nfs/dbraw/zinc/78/32/72/443783272.db2.gz NLBUGVBBRVIUSR-KBPBESRZSA-N 1 0 339.417 1.808 20 5 EDBDRO O=C1C[C@H]([NH+]2C[C@H]3CCC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000532049111 320672348 /nfs/dbraw/zinc/67/23/48/320672348.db2.gz WJFGJLZDWIMXJI-JMSVASOKSA-N 1 0 329.356 1.959 20 5 EDBDRO COc1ccc(NC(=O)CN2CCC[C@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000292985130 443895676 /nfs/dbraw/zinc/89/56/76/443895676.db2.gz BRPCZNZVXRUJOL-LBPRGKRZSA-N 1 0 337.376 1.636 20 5 EDBDRO CC(C)(C)CC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298770364 443863714 /nfs/dbraw/zinc/86/37/14/443863714.db2.gz HSILTIIQIRLLLT-UHFFFAOYSA-N 1 0 335.408 1.647 20 5 EDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000539920289 320755665 /nfs/dbraw/zinc/75/56/65/320755665.db2.gz JIZGRQRFNSTBNQ-CYBMUJFWSA-N 1 0 339.392 1.426 20 5 EDBDRO CN(CCC[NH+](C)C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000540515958 320761088 /nfs/dbraw/zinc/76/10/88/320761088.db2.gz RTIDJAUYVHTWLT-UHFFFAOYSA-N 1 0 346.387 1.932 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](CO)CC1 ZINC000293071613 443917645 /nfs/dbraw/zinc/91/76/45/443917645.db2.gz IZDBJSSHUDHPOJ-LBPRGKRZSA-N 1 0 337.376 1.636 20 5 EDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)C[NH+]1CCCC1 ZINC000277163465 443923788 /nfs/dbraw/zinc/92/37/88/443923788.db2.gz SUQIHPUSRPPXRR-NSHDSACASA-N 1 0 342.421 1.386 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000293311573 443981045 /nfs/dbraw/zinc/98/10/45/443981045.db2.gz QHKGGIDYBBELOG-GVDBMIGSSA-N 1 0 335.404 1.423 20 5 EDBDRO COCC[N@@H+]1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000299207510 443983113 /nfs/dbraw/zinc/98/31/13/443983113.db2.gz DBCVPAJXAZEBBH-BQYQJAHWSA-N 1 0 333.388 1.789 20 5 EDBDRO COCC[N@@H+]1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000299223439 443987983 /nfs/dbraw/zinc/98/79/83/443987983.db2.gz BACCMPOSXZDHOA-UHFFFAOYSA-N 1 0 346.387 1.870 20 5 EDBDRO O=C(CC[N@@H+]1CCO[C@]2(CCCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000285353823 443954092 /nfs/dbraw/zinc/95/40/92/443954092.db2.gz PTVNVEQGMXKYNM-QGZVFWFLSA-N 1 0 349.387 1.805 20 5 EDBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293508040 444037847 /nfs/dbraw/zinc/03/78/47/444037847.db2.gz SVZUACYMORCSDC-KGLIPLIRSA-N 1 0 341.371 1.605 20 5 EDBDRO Cc1c(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000293521324 444041556 /nfs/dbraw/zinc/04/15/56/444041556.db2.gz UHUGOOIURQYJCH-AAEUAGOBSA-N 1 0 348.359 1.944 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000299451951 444050325 /nfs/dbraw/zinc/05/03/25/444050325.db2.gz TWXMODOGSPCLEG-LBPRGKRZSA-N 1 0 337.351 1.809 20 5 EDBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000289100326 444052949 /nfs/dbraw/zinc/05/29/49/444052949.db2.gz CDNSFDNOTOAOBD-XYPYZODXSA-N 1 0 336.348 1.998 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000289108044 444054432 /nfs/dbraw/zinc/05/44/32/444054432.db2.gz QAJNQNIZMURQGG-UHFFFAOYSA-N 1 0 325.369 1.798 20 5 EDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)C2)C1 ZINC000293638484 444077455 /nfs/dbraw/zinc/07/74/55/444077455.db2.gz FZXDPDWMLKPHDL-HNNXBMFYSA-N 1 0 347.400 1.767 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCc2nccs2)cc1 ZINC000563952970 321117580 /nfs/dbraw/zinc/11/75/80/321117580.db2.gz YSHQOIDCJKKPEW-UHFFFAOYSA-N 1 0 341.414 1.657 20 5 EDBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)CCn2cc([N+](=O)[O-])cn2)o1 ZINC000299616388 444096477 /nfs/dbraw/zinc/09/64/77/444096477.db2.gz DAVXMLHYEXXWJU-UHFFFAOYSA-N 1 0 349.391 1.673 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000571549573 321391346 /nfs/dbraw/zinc/39/13/46/321391346.db2.gz IGZAKKKKISHAKX-LLVKDONJSA-N 1 0 335.360 1.532 20 5 EDBDRO COCCO[C@@H]1C[C@@H](CO)CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000278268521 444123926 /nfs/dbraw/zinc/12/39/26/444123926.db2.gz IZQGGPACRHAEQZ-DGCLKSJQSA-N 1 0 330.406 1.502 20 5 EDBDRO COc1cc(F)c([N+](=O)[O-])c(N2CCN(CCO)C(C)(C)C2)c1 ZINC000302562886 444216208 /nfs/dbraw/zinc/21/62/08/444216208.db2.gz VAZDPGPTLHJYMX-UHFFFAOYSA-N 1 0 327.356 1.635 20 5 EDBDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000289578257 444175301 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RXWVBHPKWZUHPS-GFCCVEGCSA-N 1 0 334.376 1.126 20 5 EDBDRO O=C1CCCN1C[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000305753040 444277738 /nfs/dbraw/zinc/27/77/38/444277738.db2.gz UDCOIHGTPWHCBF-MRXNPFEDSA-N 1 0 333.388 1.543 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[C@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000577883965 321691504 /nfs/dbraw/zinc/69/15/04/321691504.db2.gz ZVCDQPFPPGHQJY-NEPJUHHUSA-N 1 0 336.392 1.744 20 5 EDBDRO Cc1cc(NCCS(=O)(=O)N(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000323201134 444342281 /nfs/dbraw/zinc/34/22/81/444342281.db2.gz KOAZIBZECAHQPN-UHFFFAOYSA-N 1 0 338.389 1.755 20 5 EDBDRO CCC[N@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000297900114 444353175 /nfs/dbraw/zinc/35/31/75/444353175.db2.gz OUWRVCZHNPUEAN-UHFFFAOYSA-N 1 0 325.365 1.636 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CC23CCSCC3)c1 ZINC000578316298 321755484 /nfs/dbraw/zinc/75/54/84/321755484.db2.gz VUOLFJAQJPOOTM-WCQYABFASA-N 1 0 326.422 1.275 20 5 EDBDRO CCOc1cc(N2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000325081020 444361591 /nfs/dbraw/zinc/36/15/91/444361591.db2.gz YTYDOOPZQMVTAT-GFCCVEGCSA-N 1 0 336.392 1.285 20 5 EDBDRO CCN(CC)S(=O)(=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000343993724 444715061 /nfs/dbraw/zinc/71/50/61/444715061.db2.gz ADWPHNDJKKXEGI-LBPRGKRZSA-N 1 0 329.422 1.917 20 5 EDBDRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342763155 444853688 /nfs/dbraw/zinc/85/36/88/444853688.db2.gz WZTVGCDJVRKFHR-NXEZZACHSA-N 1 0 327.331 1.967 20 5 EDBDRO C[C@@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000343141343 445091269 /nfs/dbraw/zinc/09/12/69/445091269.db2.gz XQXAFHDXFJHCHK-OLZOCXBDSA-N 1 0 336.392 1.136 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000341979460 445105353 /nfs/dbraw/zinc/10/53/53/445105353.db2.gz XNMVHYZZGRSWFP-OAHLLOKOSA-N 1 0 329.404 1.687 20 5 EDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000343569009 445245610 /nfs/dbraw/zinc/24/56/10/445245610.db2.gz LOMFALPVCLOWBD-LBPRGKRZSA-N 1 0 335.360 1.928 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000348189139 445310923 /nfs/dbraw/zinc/31/09/23/445310923.db2.gz WKSLNTGQUNXUNV-TZMCWYRMSA-N 1 0 334.376 1.346 20 5 EDBDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000362516999 445421227 /nfs/dbraw/zinc/42/12/27/445421227.db2.gz VLQKYFRMRYENHN-CZUORRHYSA-N 1 0 340.376 1.514 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000359789087 445428797 /nfs/dbraw/zinc/42/87/97/445428797.db2.gz IFYRNAXVPKNSMQ-GFCCVEGCSA-N 1 0 335.339 1.500 20 5 EDBDRO COC(=O)COc1ccc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000357125804 445441179 /nfs/dbraw/zinc/44/11/79/445441179.db2.gz WNKSYJICJPEHJH-KGLIPLIRSA-N 1 0 349.387 1.188 20 5 EDBDRO COC[C@]1(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000357274780 445519748 /nfs/dbraw/zinc/51/97/48/445519748.db2.gz QYERCQZSYWRZIK-MRXNPFEDSA-N 1 0 336.392 1.282 20 5 EDBDRO C[NH+](C)[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccsc1 ZINC000357299975 445534089 /nfs/dbraw/zinc/53/40/89/445534089.db2.gz KKUDHXPBVQPLQS-LLVKDONJSA-N 1 0 335.389 1.865 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000353489581 445625681 /nfs/dbraw/zinc/62/56/81/445625681.db2.gz OZUYDHBVATVSAC-VXGBXAGGSA-N 1 0 327.406 1.583 20 5 EDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356142472 445644631 /nfs/dbraw/zinc/64/46/31/445644631.db2.gz BBOIJGZGTZCOFI-BETUJISGSA-N 1 0 337.424 1.816 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000363058069 445663789 /nfs/dbraw/zinc/66/37/89/445663789.db2.gz KFZPQFJRYPYOFQ-UHFFFAOYSA-N 1 0 347.415 1.851 20 5 EDBDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000349815598 445687544 /nfs/dbraw/zinc/68/75/44/445687544.db2.gz YKAMMYSBNXXNIR-LBPRGKRZSA-N 1 0 329.422 1.743 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000353772690 445747907 /nfs/dbraw/zinc/74/79/07/445747907.db2.gz WBLVYZXCXIETMX-MNOVXSKESA-N 1 0 326.349 1.253 20 5 EDBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000356620334 445890956 /nfs/dbraw/zinc/89/09/56/445890956.db2.gz NSJDFOBUIKDDRW-UHFFFAOYSA-N 1 0 337.424 1.133 20 5 EDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000372924081 445923535 /nfs/dbraw/zinc/92/35/35/445923535.db2.gz ACEYVHXBDXVMMW-BRBWODKKSA-N 1 0 345.399 1.666 20 5 EDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000582547885 325871132 /nfs/dbraw/zinc/87/11/32/325871132.db2.gz OWTZKBPPVTYXNH-HBNTYKKESA-N 1 0 338.364 1.034 20 5 EDBDRO O=Cc1ccc(OCC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000369132438 445945521 /nfs/dbraw/zinc/94/55/21/445945521.db2.gz NRBGDXUACWNJGG-ZIAGYGMSSA-N 1 0 347.371 1.529 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373061431 446001024 /nfs/dbraw/zinc/00/10/24/446001024.db2.gz ZBGCJURQWPRNDR-VXGBXAGGSA-N 1 0 325.390 1.276 20 5 EDBDRO CC(C)(C)C[C@H](O)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583203896 326026267 /nfs/dbraw/zinc/02/62/67/326026267.db2.gz LLDDIVKCYKSWLI-ZDUSSCGKSA-N 1 0 344.433 1.755 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351475175 446076748 /nfs/dbraw/zinc/07/67/48/446076748.db2.gz HQLQVPMPAZETTI-VTPLQMEGSA-N 1 0 348.403 1.600 20 5 EDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351495419 446099899 /nfs/dbraw/zinc/09/98/99/446099899.db2.gz PQAORYHVJIQRJD-SNVBAGLBSA-N 1 0 340.355 1.519 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000356899459 446106601 /nfs/dbraw/zinc/10/66/01/446106601.db2.gz SDGDFWCIRMDWBR-VXGBXAGGSA-N 1 0 339.367 1.190 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000373236072 446111680 /nfs/dbraw/zinc/11/16/80/446111680.db2.gz GHLNMYNAKUWERE-RDJZCZTQSA-N 1 0 330.388 1.845 20 5 EDBDRO C[C@@H]1[C@@H](C)N(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCN1C ZINC000351579808 446177072 /nfs/dbraw/zinc/17/70/72/446177072.db2.gz JEIXTRFMDGGODL-NXEZZACHSA-N 1 0 338.339 1.223 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1C ZINC000370176229 446188623 /nfs/dbraw/zinc/18/86/23/446188623.db2.gz WLESIRCEBGAMFF-GXTWGEPZSA-N 1 0 339.417 1.584 20 5 EDBDRO O=C1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C2CC2)N1 ZINC000370284249 446213867 /nfs/dbraw/zinc/21/38/67/446213867.db2.gz ATUOIGXBMJBQFI-ZBFHGGJFSA-N 1 0 347.371 1.608 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000366590219 446271804 /nfs/dbraw/zinc/27/18/04/446271804.db2.gz GUOYSIUREYKXNP-AAEUAGOBSA-N 1 0 335.360 1.193 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1N1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000373672216 446296340 /nfs/dbraw/zinc/29/63/40/446296340.db2.gz HJKYLGVBBSCQKV-MRXNPFEDSA-N 1 0 334.420 1.356 20 5 EDBDRO [NH3+][C@@H]1CCC[C@]12CCN(S(=O)(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000376130033 446346885 /nfs/dbraw/zinc/34/68/85/446346885.db2.gz MFJVOIILBVSEGA-ZIAGYGMSSA-N 1 0 325.390 1.487 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420267985 446439531 /nfs/dbraw/zinc/43/95/31/446439531.db2.gz GGFMZDIRHGFUCF-ZDUSSCGKSA-N 1 0 341.433 1.300 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C1(C[NH3+])CCC1 ZINC000420340033 446511221 /nfs/dbraw/zinc/51/12/21/446511221.db2.gz ZQAKAOLENSUAMC-UHFFFAOYSA-N 1 0 336.392 1.745 20 5 EDBDRO CC1(C)CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCCO1 ZINC000370919378 446520779 /nfs/dbraw/zinc/52/07/79/446520779.db2.gz WDAGTRDTUKLORS-UHFFFAOYSA-N 1 0 333.388 1.985 20 5 EDBDRO C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000367738528 446581996 /nfs/dbraw/zinc/58/19/96/446581996.db2.gz KDAGGXMZUQCXCU-WVBURXTLSA-N 1 0 345.399 1.930 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000423576220 446582909 /nfs/dbraw/zinc/58/29/09/446582909.db2.gz ZXSKBOXIYVABKS-IINYFYTJSA-N 1 0 335.360 1.499 20 5 EDBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420419676 446593792 /nfs/dbraw/zinc/59/37/92/446593792.db2.gz JGLWIHXRHNQXHV-OAHLLOKOSA-N 1 0 339.417 1.153 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000420420218 446595425 /nfs/dbraw/zinc/59/54/25/446595425.db2.gz JNUGGBVKUONJTR-MGPQQGTHSA-N 1 0 339.417 1.136 20 5 EDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423637295 446620101 /nfs/dbraw/zinc/62/01/01/446620101.db2.gz CFBLPZKXDYJCQJ-ZDUSSCGKSA-N 1 0 348.403 1.113 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000420474950 446649035 /nfs/dbraw/zinc/64/90/35/446649035.db2.gz WEPMCCFBMAJPHD-NEPJUHHUSA-N 1 0 327.406 1.699 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420443716 446620963 /nfs/dbraw/zinc/62/09/63/446620963.db2.gz BOWFJRYPOWIHAY-YPMHNXCESA-N 1 0 325.390 1.140 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000368082401 446628842 /nfs/dbraw/zinc/62/88/42/446628842.db2.gz FIPXWKVWDRYMBT-CHWSQXEVSA-N 1 0 346.387 1.300 20 5 EDBDRO C[C@@H](NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000418778370 446697568 /nfs/dbraw/zinc/69/75/68/446697568.db2.gz IQMTWAZAKMGQKX-NWDGAFQWSA-N 1 0 348.403 1.358 20 5 EDBDRO [NH3+]C1(CNC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000418867575 446762569 /nfs/dbraw/zinc/76/25/69/446762569.db2.gz MEQBSVCIVDDEPT-UHFFFAOYSA-N 1 0 348.403 1.031 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@@H]2CCOC[C@H]21 ZINC000368321689 446785507 /nfs/dbraw/zinc/78/55/07/446785507.db2.gz NVGSTUIIELNMQV-HZPDHXFCSA-N 1 0 349.387 1.722 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c(C)cc1[N+](=O)[O-] ZINC000420744547 446788356 /nfs/dbraw/zinc/78/83/56/446788356.db2.gz XLYGCFUHWPJVCE-ZDUSSCGKSA-N 1 0 341.433 1.926 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000424009500 446821884 /nfs/dbraw/zinc/82/18/84/446821884.db2.gz WXLSIBJGFKQMGJ-HNNXBMFYSA-N 1 0 329.360 1.355 20 5 EDBDRO C[C@@H]1C[C@H](C)N(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C[NH3+] ZINC000424076035 446841610 /nfs/dbraw/zinc/84/16/10/446841610.db2.gz PXJZQELJRXYXHE-VWYCJHECSA-N 1 0 331.376 1.917 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371359114 446802297 /nfs/dbraw/zinc/80/22/97/446802297.db2.gz GXCBCEYLOZNMGF-GOEBONIOSA-N 1 0 346.431 1.693 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420765612 446805005 /nfs/dbraw/zinc/80/50/05/446805005.db2.gz LCZDDDHDFJKAPY-OAHLLOKOSA-N 1 0 341.433 1.493 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@@]1(C)C[NH3+] ZINC000423982053 446805193 /nfs/dbraw/zinc/80/51/93/446805193.db2.gz HWWSGCJFSSXTKC-BMLIUANNSA-N 1 0 344.371 1.906 20 5 EDBDRO C[C@H]1CCC[N@H+](CCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000439094564 446806170 /nfs/dbraw/zinc/80/61/70/446806170.db2.gz BTCMWVXJUCUMBC-NSHDSACASA-N 1 0 331.376 2.387 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423985029 446806168 /nfs/dbraw/zinc/80/61/68/446806168.db2.gz QDRZNGKCEJWZTN-PSTGCABASA-N 1 0 348.403 1.156 20 5 EDBDRO CN(C[C@@H]1CCC[N@@H+]1C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000420994405 446972383 /nfs/dbraw/zinc/97/23/83/446972383.db2.gz CCFHJSDLZUTINP-JKSUJKDBSA-N 1 0 332.404 1.726 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000377165771 446965007 /nfs/dbraw/zinc/96/50/07/446965007.db2.gz RFPIVUIVLUUSLS-BBRMVZONSA-N 1 0 335.404 1.898 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]21 ZINC000368595582 446967442 /nfs/dbraw/zinc/96/74/42/446967442.db2.gz SWSIEKVZBUOEKH-ABAIWWIYSA-N 1 0 337.351 1.665 20 5 EDBDRO Cc1ccc(N2CCN(C[C@H]3CN(C)CCO3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000371826776 446968044 /nfs/dbraw/zinc/96/80/44/446968044.db2.gz MRCXLLPFDRAFDY-HZPDHXFCSA-N 1 0 348.447 1.744 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000419162911 446980262 /nfs/dbraw/zinc/98/02/62/446980262.db2.gz KVVZCGMOSBMLFP-DFBGVHRSSA-N 1 0 348.403 1.358 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N1CCCC[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000419172157 446987541 /nfs/dbraw/zinc/98/75/41/446987541.db2.gz UJTPRWUXOHWTDV-GJZGRUSLSA-N 1 0 348.403 1.502 20 5 EDBDRO O=C(C[N@H+]1CCC[C@H](CCO)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000421023519 446994931 /nfs/dbraw/zinc/99/49/31/446994931.db2.gz WHXAEUBPQPZRIA-AWEZNQCLSA-N 1 0 347.415 1.968 20 5 EDBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)c2c(c1)COCO2 ZINC000425348909 447124295 /nfs/dbraw/zinc/12/42/95/447124295.db2.gz CUDZRJHNYTWEAE-SNVBAGLBSA-N 1 0 331.332 1.569 20 5 EDBDRO O=C1NCCN1[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000368804100 447119116 /nfs/dbraw/zinc/11/91/16/447119116.db2.gz FJAIHHNICSPNRW-CYBMUJFWSA-N 1 0 334.376 1.463 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000375923164 447151887 /nfs/dbraw/zinc/15/18/87/447151887.db2.gz SFXOOVCLPGWYLT-GDBMZVCRSA-N 1 0 344.346 1.883 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000377492367 447162635 /nfs/dbraw/zinc/16/26/35/447162635.db2.gz JKHOUNSZPFZGNQ-GFCCVEGCSA-N 1 0 334.376 1.429 20 5 EDBDRO CNc1nc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000455541529 447163502 /nfs/dbraw/zinc/16/35/02/447163502.db2.gz XEKVHOCGLVRVKE-GFCCVEGCSA-N 1 0 333.392 1.732 20 5 EDBDRO CCOc1ccc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000375959967 447176265 /nfs/dbraw/zinc/17/62/65/447176265.db2.gz VTLJOIRWDHAMAK-CQSZACIVSA-N 1 0 348.403 1.113 20 5 EDBDRO NC(=O)c1ccc(NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000368998044 447256127 /nfs/dbraw/zinc/25/61/27/447256127.db2.gz CXCPFSGTOKFDHS-HIFRSBDPSA-N 1 0 348.403 1.607 20 5 EDBDRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000372780933 447282213 /nfs/dbraw/zinc/28/22/13/447282213.db2.gz IQVFGMPLQQIITP-GDBMZVCRSA-N 1 0 337.351 1.843 20 5 EDBDRO O=C(CC[C@H]1CCC[NH2+]1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000494633326 447453107 /nfs/dbraw/zinc/45/31/07/447453107.db2.gz ADLSSQMHFPBJMX-CHWSQXEVSA-N 1 0 333.392 1.535 20 5 EDBDRO COc1cc(C(=O)N2CCCC[C@@H]2CC[NH3+])c([N+](=O)[O-])cc1OC ZINC000391622205 447515859 /nfs/dbraw/zinc/51/58/59/447515859.db2.gz OBXWZWJDJSXCQT-LLVKDONJSA-N 1 0 337.376 1.956 20 5 EDBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000420163513 447647955 /nfs/dbraw/zinc/64/79/55/447647955.db2.gz DYQJGWHHBXETQB-GFCCVEGCSA-N 1 0 348.403 1.200 20 5 EDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000428439652 447700822 /nfs/dbraw/zinc/70/08/22/447700822.db2.gz JJLGSKGBYYKLBS-VIFPVBQESA-N 1 0 347.293 1.970 20 5 EDBDRO C[NH2+]C[C@@H](C)CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000420185491 447660154 /nfs/dbraw/zinc/66/01/54/447660154.db2.gz BUVSFRHDTIEMAU-GFCCVEGCSA-N 1 0 336.392 1.335 20 5 EDBDRO CC(C)[C@@H]([NH3+])CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000420189983 447663050 /nfs/dbraw/zinc/66/30/50/447663050.db2.gz FHSMHEWSZMGCJE-ZDUSSCGKSA-N 1 0 336.392 1.462 20 5 EDBDRO CC(C)NC(=O)c1ccc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000420226488 447677419 /nfs/dbraw/zinc/67/74/19/447677419.db2.gz GUIUCZSHQSKVEO-BFHYXJOUSA-N 1 0 332.404 1.907 20 5 EDBDRO [NH3+][C@H]1CCC[C@@H](Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000420240057 447682926 /nfs/dbraw/zinc/68/29/26/447682926.db2.gz QFMCVDPXCUNWOY-UONOGXRCSA-N 1 0 348.403 1.749 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH3+] ZINC000429184238 447734593 /nfs/dbraw/zinc/73/45/93/447734593.db2.gz SNBZDTVQWIOZJK-NOZJJQNGSA-N 1 0 330.344 1.658 20 5 EDBDRO C[C@H]1C[C@H](O)C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000452072854 447810604 /nfs/dbraw/zinc/81/06/04/447810604.db2.gz WFNKVVUEFJPANG-AAEUAGOBSA-N 1 0 335.360 1.596 20 5 EDBDRO COc1cc(OCC(=O)NCC[N@@H+]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000524774684 447952245 /nfs/dbraw/zinc/95/22/45/447952245.db2.gz WGDNJXULKYCXID-GFCCVEGCSA-N 1 0 337.376 1.440 20 5 EDBDRO [NH3+][C@H]1C[C@@H](C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000570162489 447956039 /nfs/dbraw/zinc/95/60/39/447956039.db2.gz MYWZVWDMPGDBGR-WAAGHKOSSA-N 1 0 346.309 1.879 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000525699983 448013531 /nfs/dbraw/zinc/01/35/31/448013531.db2.gz GWNNWVINZGEADT-NSHDSACASA-N 1 0 328.394 1.000 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000525086518 447967159 /nfs/dbraw/zinc/96/71/59/447967159.db2.gz AIFIHLVLJVJYNO-RYUDHWBXSA-N 1 0 342.421 1.389 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000576713408 448123188 /nfs/dbraw/zinc/12/31/88/448123188.db2.gz DTQLYECKXARNES-GFCCVEGCSA-N 1 0 349.387 1.921 20 5 EDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000514645195 448177048 /nfs/dbraw/zinc/17/70/48/448177048.db2.gz NLZMOQIQJFDJLO-RYUDHWBXSA-N 1 0 340.405 1.095 20 5 EDBDRO CNc1nccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000557623946 448187204 /nfs/dbraw/zinc/18/72/04/448187204.db2.gz CYLXTJVKCQMURI-GFCCVEGCSA-N 1 0 333.392 1.589 20 5 EDBDRO COc1ccc(NC(=O)CCN2CC[C@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000591037720 448241454 /nfs/dbraw/zinc/24/14/54/448241454.db2.gz OYHBSOGTHJFQNL-BLLLJJGKSA-N 1 0 348.403 1.568 20 5 EDBDRO C[N@@H+]1CC[C@](O)(CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000577225326 448243502 /nfs/dbraw/zinc/24/35/02/448243502.db2.gz OGWIIJQXZVRMNC-OLZOCXBDSA-N 1 0 333.310 1.854 20 5 EDBDRO O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000591054325 448245964 /nfs/dbraw/zinc/24/59/64/448245964.db2.gz WMLITAURTRDXDE-SQWLQELKSA-N 1 0 345.399 1.577 20 5 EDBDRO COc1ccc(OCC[NH2+]C(C)(C)C(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000532716878 448302374 /nfs/dbraw/zinc/30/23/74/448302374.db2.gz KWOUVJCSJPYUMA-UHFFFAOYSA-N 1 0 325.365 1.439 20 5 EDBDRO CN1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1=O ZINC000515667104 448341654 /nfs/dbraw/zinc/34/16/54/448341654.db2.gz FMOQRMDTAOCVJZ-LBPRGKRZSA-N 1 0 334.376 1.476 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000582840690 448354731 /nfs/dbraw/zinc/35/47/31/448354731.db2.gz GWEUYRJQXNUTGI-OLZOCXBDSA-N 1 0 332.360 1.205 20 5 EDBDRO CC1(C)C[NH2+][C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000591669450 448441191 /nfs/dbraw/zinc/44/11/91/448441191.db2.gz VDXAFYNOWOSLJS-OAHLLOKOSA-N 1 0 333.388 1.963 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cc(-c3ccccc3)on2)c1 ZINC000591732840 448474882 /nfs/dbraw/zinc/47/48/82/448474882.db2.gz WAVORFSAAITHCC-HNNXBMFYSA-N 1 0 343.343 1.597 20 5 EDBDRO CC(C)OC1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000591757075 448482177 /nfs/dbraw/zinc/48/21/77/448482177.db2.gz XNAAAZKWXAUVJP-BLZCZZARSA-N 1 0 326.397 1.478 20 5 EDBDRO CC1(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000572975546 448513397 /nfs/dbraw/zinc/51/33/97/448513397.db2.gz PXPULQLYIHZHHZ-UHFFFAOYSA-N 1 0 336.392 1.663 20 5 EDBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000579002555 448693239 /nfs/dbraw/zinc/69/32/39/448693239.db2.gz QKTBHQCMOMCPPE-GFCCVEGCSA-N 1 0 333.392 1.376 20 5 EDBDRO Cc1ccc(C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC2CC2)cn1 ZINC000592144880 448706423 /nfs/dbraw/zinc/70/64/23/448706423.db2.gz JZELVXVWFKMYHY-KRWDZBQOSA-N 1 0 345.403 1.768 20 5 EDBDRO Cc1cc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1Cl ZINC000567708887 448744533 /nfs/dbraw/zinc/74/45/33/448744533.db2.gz YUZMHCBSZPUJCY-CQSZACIVSA-N 1 0 338.795 1.946 20 5 EDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000592211626 448749925 /nfs/dbraw/zinc/74/99/25/448749925.db2.gz UZMHWRJYSKATTO-NSHDSACASA-N 1 0 335.364 1.179 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592382459 448815307 /nfs/dbraw/zinc/81/53/07/448815307.db2.gz OFWGXMUFWNJQJV-OCCSQVGLSA-N 1 0 341.433 1.526 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)C[C@H]21 ZINC000574032116 448773933 /nfs/dbraw/zinc/77/39/33/448773933.db2.gz CKEDOLGWWVUQNN-ZLKJLUDKSA-N 1 0 347.371 1.565 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000592310776 448786691 /nfs/dbraw/zinc/78/66/91/448786691.db2.gz YPOPYUMLHDCITR-OTYXRUKQSA-N 1 0 346.343 1.037 20 5 EDBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000592430716 448832895 /nfs/dbraw/zinc/83/28/95/448832895.db2.gz CJDCQYRIVBYFQF-PTOFAABTSA-N 1 0 338.282 1.236 20 5 EDBDRO Cc1csc([C@@H](C)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000519819387 448850888 /nfs/dbraw/zinc/85/08/88/448850888.db2.gz DAHKDFCZVSMQHT-JOYOIKCWSA-N 1 0 325.394 1.310 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000592548560 448891598 /nfs/dbraw/zinc/89/15/98/448891598.db2.gz IRLYKSPGQWYKNG-JQWIXIFHSA-N 1 0 327.381 1.845 20 5 EDBDRO Cc1c(CC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cccc1[N+](=O)[O-] ZINC000592870449 449028818 /nfs/dbraw/zinc/02/88/18/449028818.db2.gz FBWSKYUZIXAGIZ-CYBMUJFWSA-N 1 0 348.403 1.024 20 5 EDBDRO C[N@@H+]1C[C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000592879790 449033989 /nfs/dbraw/zinc/03/39/89/449033989.db2.gz CQLWYBSVDRZVKK-OCCSQVGLSA-N 1 0 329.360 1.393 20 5 EDBDRO Cc1nn(CCC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000597858176 449126360 /nfs/dbraw/zinc/12/63/60/449126360.db2.gz LKPOSSHLZZNWCW-CYBMUJFWSA-N 1 0 337.424 1.787 20 5 EDBDRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000599927782 449111534 /nfs/dbraw/zinc/11/15/34/449111534.db2.gz HBBYEQWKESCQFN-OAHLLOKOSA-N 1 0 346.387 1.652 20 5 EDBDRO Cc1cc(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000597942722 449152134 /nfs/dbraw/zinc/15/21/34/449152134.db2.gz MJDIBYDNVHJHBX-AWEZNQCLSA-N 1 0 336.436 1.905 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000597943077 449152425 /nfs/dbraw/zinc/15/24/25/449152425.db2.gz TWSNEDYTZJYMSO-AWEZNQCLSA-N 1 0 336.436 1.905 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000595782035 449162058 /nfs/dbraw/zinc/16/20/58/449162058.db2.gz NFMNZZKIGPISBF-CABCVRRESA-N 1 0 347.371 1.786 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000590440823 449162302 /nfs/dbraw/zinc/16/23/02/449162302.db2.gz CCUCNADQXPYDIZ-RISCZKNCSA-N 1 0 335.360 1.145 20 5 EDBDRO Nc1nccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000590444937 449165771 /nfs/dbraw/zinc/16/57/71/449165771.db2.gz ZKIMCYGOJBPWKJ-GFCCVEGCSA-N 1 0 333.392 1.663 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC2CC[NH2+]CC2)c(Cl)c1 ZINC000593731762 449167242 /nfs/dbraw/zinc/16/72/42/449167242.db2.gz CWDDPFDYAKJUDA-UHFFFAOYSA-N 1 0 347.824 1.916 20 5 EDBDRO C[NH+]1CCC2(CCN(C(=O)COc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000590376143 449139396 /nfs/dbraw/zinc/13/93/96/449139396.db2.gz VNGYVVCZGCMZBK-UHFFFAOYSA-N 1 0 333.388 1.918 20 5 EDBDRO COC(=O)COc1ccc(C[N@H+](C)[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000593694587 449150490 /nfs/dbraw/zinc/15/04/90/449150490.db2.gz OBARCCRHUCLFKZ-NSHDSACASA-N 1 0 326.349 1.349 20 5 EDBDRO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3c([N+](=O)[O-])cnn3C)C2)c1 ZINC000601848813 449181955 /nfs/dbraw/zinc/18/19/55/449181955.db2.gz COTGBGKNTPTBSJ-AWEZNQCLSA-N 1 0 343.387 1.641 20 5 EDBDRO CN(C)C(=O)N(C)[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595825744 449189038 /nfs/dbraw/zinc/18/90/38/449189038.db2.gz GDMGLBOQMZRTEZ-AWEZNQCLSA-N 1 0 336.392 1.661 20 5 EDBDRO COCC[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000593337878 449231141 /nfs/dbraw/zinc/23/11/41/449231141.db2.gz FEFKCTSPUSSGCJ-UHFFFAOYSA-N 1 0 335.404 1.707 20 5 EDBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611271551 449245668 /nfs/dbraw/zinc/24/56/68/449245668.db2.gz TVMCSYJJIGHZTK-NSHDSACASA-N 1 0 335.360 1.324 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NCC[C@H](C)[NH3+])c1 ZINC000593903850 449274286 /nfs/dbraw/zinc/27/42/86/449274286.db2.gz CFTWMNUUJONFDE-NSHDSACASA-N 1 0 331.376 1.615 20 5 EDBDRO C[N@@H+]1CC[C@@H](CC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000602072309 449321897 /nfs/dbraw/zinc/32/18/97/449321897.db2.gz XNIRRVLEVXMSKC-AWEZNQCLSA-N 1 0 332.404 1.585 20 5 EDBDRO CC[C@@H]([NH3+])CNC(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 ZINC000593906742 449276876 /nfs/dbraw/zinc/27/68/76/449276876.db2.gz SXSQYCUDDKNKDT-CQSZACIVSA-N 1 0 331.376 1.615 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCCC2(C[NH3+])CC2)cc1OC ZINC000593914992 449283218 /nfs/dbraw/zinc/28/32/18/449283218.db2.gz SDKHCXYQRWLBRC-UHFFFAOYSA-N 1 0 337.376 1.861 20 5 EDBDRO Cn1c(Sc2cc[nH]c(=O)c2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000596131498 449379173 /nfs/dbraw/zinc/37/91/73/449379173.db2.gz NNOIBVYGIYTWJN-QMMMGPOBSA-N 1 0 336.377 1.442 20 5 EDBDRO CO[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000596066835 449346004 /nfs/dbraw/zinc/34/60/04/449346004.db2.gz SOBWZFVBCOKECD-CABCVRRESA-N 1 0 326.397 1.337 20 5 EDBDRO C[NH+](C)CC1(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000602102348 449346695 /nfs/dbraw/zinc/34/66/95/449346695.db2.gz PBXMITWQSYVWMW-GFCCVEGCSA-N 1 0 333.392 1.344 20 5 EDBDRO CC[NH+](CC)CC(=O)N1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000611615894 449360685 /nfs/dbraw/zinc/36/06/85/449360685.db2.gz FSNXNXQYWLCJJL-UHFFFAOYSA-N 1 0 349.435 1.597 20 5 EDBDRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000596051044 449336938 /nfs/dbraw/zinc/33/69/38/449336938.db2.gz LDQUNKRZHTVCRW-SNVBAGLBSA-N 1 0 341.311 1.246 20 5 EDBDRO CC[C@@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)[NH2+]1 ZINC000598535889 449451651 /nfs/dbraw/zinc/45/16/51/449451651.db2.gz KTYFLPUESFCPFZ-QWHCGFSZSA-N 1 0 343.387 1.993 20 5 EDBDRO COCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596281161 449454822 /nfs/dbraw/zinc/45/48/22/449454822.db2.gz NSXCNTZNACAEPQ-UHFFFAOYSA-N 1 0 336.392 1.241 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000598571185 449470680 /nfs/dbraw/zinc/47/06/80/449470680.db2.gz BULGKWDFMVIDOX-HNNXBMFYSA-N 1 0 349.387 1.842 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598605250 449488257 /nfs/dbraw/zinc/48/82/57/449488257.db2.gz BBTKVBGIUOFMAA-DGCLKSJQSA-N 1 0 341.433 1.973 20 5 EDBDRO COC(=O)c1ccnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000598606938 449489116 /nfs/dbraw/zinc/48/91/16/449489116.db2.gz GYBZRRIJWWFQCO-WCQYABFASA-N 1 0 334.376 1.697 20 5 EDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598665462 449528019 /nfs/dbraw/zinc/52/80/19/449528019.db2.gz WWVZEESFFOMTOL-FZMZJTMJSA-N 1 0 349.391 1.350 20 5 EDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1ccn(-c3ccccc3[N+](=O)[O-])n1)C2 ZINC000598667809 449529884 /nfs/dbraw/zinc/52/98/84/449529884.db2.gz LKUPITDWEPDQGV-YVEFUNNKSA-N 1 0 341.371 1.734 20 5 EDBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000596466696 449516617 /nfs/dbraw/zinc/51/66/17/449516617.db2.gz GKWKGVXQFRYZLE-CQSZACIVSA-N 1 0 342.403 1.720 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598725895 449565262 /nfs/dbraw/zinc/56/52/62/449565262.db2.gz QGPGZBVGQDJXEJ-HZMBPMFUSA-N 1 0 341.389 1.105 20 5 EDBDRO C[NH2+]C1(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000600824746 449566237 /nfs/dbraw/zinc/56/62/37/449566237.db2.gz OTJPXADMBRMZMY-UHFFFAOYSA-N 1 0 329.360 1.652 20 5 EDBDRO COc1cccc([N+](=O)[O-])c1N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000594556282 449574957 /nfs/dbraw/zinc/57/49/57/449574957.db2.gz LYHUJOMBUKEZHU-AWEZNQCLSA-N 1 0 334.420 1.820 20 5 EDBDRO C[NH2+]C1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)CC1 ZINC000602432297 449582438 /nfs/dbraw/zinc/58/24/38/449582438.db2.gz GTZADXABNOVGQF-UHFFFAOYSA-N 1 0 347.350 1.744 20 5 EDBDRO Cn1cc(CN[C@@H](C[NH3+])C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594581102 449583187 /nfs/dbraw/zinc/58/31/87/449583187.db2.gz OZRFPQZXYPMOOF-LBPRGKRZSA-N 1 0 343.309 1.975 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000596567714 449555026 /nfs/dbraw/zinc/55/50/26/449555026.db2.gz VMUZTVHRTOJBGH-CYBMUJFWSA-N 1 0 325.413 1.667 20 5 EDBDRO C[NH+](C)CCC[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCO1 ZINC000596568718 449556265 /nfs/dbraw/zinc/55/62/65/449556265.db2.gz UGXAIOFHZVGQBM-GFCCVEGCSA-N 1 0 334.380 1.185 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000594523826 449560604 /nfs/dbraw/zinc/56/06/04/449560604.db2.gz FBKGKCGWLOOOMN-CYBMUJFWSA-N 1 0 336.392 1.260 20 5 EDBDRO COc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC000598720352 449561339 /nfs/dbraw/zinc/56/13/39/449561339.db2.gz OIWSBVCOEMGOHH-HZMBPMFUSA-N 1 0 341.389 1.105 20 5 EDBDRO [NH3+]C[C@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(F)(F)F ZINC000594525975 449561579 /nfs/dbraw/zinc/56/15/79/449561579.db2.gz ZGHIRVHKLJGYEX-VIFPVBQESA-N 1 0 346.269 1.160 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000598722898 449564553 /nfs/dbraw/zinc/56/45/53/449564553.db2.gz DSKXTPDZUKDICJ-IUODEOHRSA-N 1 0 339.417 1.714 20 5 EDBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000598778978 449597484 /nfs/dbraw/zinc/59/74/84/449597484.db2.gz CTYCTASBUXSHFU-GFCCVEGCSA-N 1 0 334.376 1.547 20 5 EDBDRO Cn1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])n1 ZINC000602483081 449625671 /nfs/dbraw/zinc/62/56/71/449625671.db2.gz IPQFADDQWAYPNV-UHFFFAOYSA-N 1 0 337.424 1.405 20 5 EDBDRO CC(C)(CNS(=O)(=O)c1ncccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000594744872 449662109 /nfs/dbraw/zinc/66/21/09/449662109.db2.gz CNEJWZZRJKYXCM-UHFFFAOYSA-N 1 0 342.421 1.533 20 5 EDBDRO C[NH2+]CCOCCN(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602549384 449667919 /nfs/dbraw/zinc/66/79/19/449667919.db2.gz UPHGWXPHHYRVOQ-UHFFFAOYSA-N 1 0 349.309 1.922 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000598913509 449644622 /nfs/dbraw/zinc/64/46/22/449644622.db2.gz JSBLPXRHUMSCAT-CYBMUJFWSA-N 1 0 332.360 1.324 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000602598467 449696249 /nfs/dbraw/zinc/69/62/49/449696249.db2.gz ZLCNUDPJSMGHFV-QXEWZRGKSA-N 1 0 327.768 1.964 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000599106929 449739658 /nfs/dbraw/zinc/73/96/58/449739658.db2.gz KIHMUZPUNNHVCH-ZDUSSCGKSA-N 1 0 325.390 1.299 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601164252 449728032 /nfs/dbraw/zinc/72/80/32/449728032.db2.gz RBTOKWBLGMHQCP-LBPRGKRZSA-N 1 0 338.383 1.490 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000601189237 449740357 /nfs/dbraw/zinc/74/03/57/449740357.db2.gz PDTHSZWJVGDJTQ-INIZCTEOSA-N 1 0 331.376 1.431 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CC[N@@H+]3C3CCCCC3)nn21 ZINC000599128006 449750940 /nfs/dbraw/zinc/75/09/40/449750940.db2.gz UJOUHDNJTGXNMP-ZDUSSCGKSA-N 1 0 330.392 2.456 20 5 EDBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602695804 449755861 /nfs/dbraw/zinc/75/58/61/449755861.db2.gz OELKQCGNJIAQLE-RYUDHWBXSA-N 1 0 334.376 1.623 20 5 EDBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000601225772 449760528 /nfs/dbraw/zinc/76/05/28/449760528.db2.gz OZTQJLNUNHNJCU-OAHLLOKOSA-N 1 0 340.355 1.654 20 5 EDBDRO CC(=O)N1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602716096 449765416 /nfs/dbraw/zinc/76/54/16/449765416.db2.gz SPGTYLJPKWKORT-CQSZACIVSA-N 1 0 333.392 1.169 20 5 EDBDRO CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000601238144 449766667 /nfs/dbraw/zinc/76/66/67/449766667.db2.gz RRNPWCJQOXJSTJ-UHFFFAOYSA-N 1 0 348.403 1.866 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000595034695 449846163 /nfs/dbraw/zinc/84/61/63/449846163.db2.gz SUCZCXJLSJNJHE-SNVBAGLBSA-N 1 0 333.348 1.407 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@]1(OCCO)CCOC1 ZINC000595077920 449858041 /nfs/dbraw/zinc/85/80/41/449858041.db2.gz LAOYNARBBVZQJS-MLGOLLRUSA-N 1 0 340.376 1.422 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])s1 ZINC000601361779 449874651 /nfs/dbraw/zinc/87/46/51/449874651.db2.gz OUWURNASEBAFLK-MNOVXSKESA-N 1 0 345.446 1.822 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601420722 449937095 /nfs/dbraw/zinc/93/70/95/449937095.db2.gz GIVGPKZSCQOWDA-CMPLNLGQSA-N 1 0 345.396 1.755 20 5 EDBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000602894085 449902144 /nfs/dbraw/zinc/90/21/44/449902144.db2.gz YGSYVXQLMCXNKE-LLVKDONJSA-N 1 0 335.330 1.750 20 5 EDBDRO COC(=O)c1cc(NC(=O)N(C)CC(C)(C)[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000595231849 449962097 /nfs/dbraw/zinc/96/20/97/449962097.db2.gz CFRYAACVVISZIC-UHFFFAOYSA-N 1 0 338.364 1.891 20 5 EDBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000609135489 449964730 /nfs/dbraw/zinc/96/47/30/449964730.db2.gz MZHXRLNZYSJBSO-GFCCVEGCSA-N 1 0 349.387 1.969 20 5 EDBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000609188713 449975039 /nfs/dbraw/zinc/97/50/39/449975039.db2.gz LFUIYSYHMXCLEW-UHFFFAOYSA-N 1 0 326.397 1.364 20 5 EDBDRO C[NH2+]C[C@@H](C)NC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000595261107 449984375 /nfs/dbraw/zinc/98/43/75/449984375.db2.gz LLUFBDSLGFHRMM-SNVBAGLBSA-N 1 0 340.380 1.062 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000615189710 449996387 /nfs/dbraw/zinc/99/63/87/449996387.db2.gz YMVWSCFZMMEOQO-GFCCVEGCSA-N 1 0 348.403 1.688 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000595282517 449998779 /nfs/dbraw/zinc/99/87/79/449998779.db2.gz PXQVRPNXFNEZJG-RISCZKNCSA-N 1 0 348.403 1.105 20 5 EDBDRO COc1ccc(CC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000609383400 450021437 /nfs/dbraw/zinc/02/14/37/450021437.db2.gz NFKPNMAHCPDJHO-CQSZACIVSA-N 1 0 333.388 1.746 20 5 EDBDRO COCCN1CC[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000609354239 450018398 /nfs/dbraw/zinc/01/83/98/450018398.db2.gz YKFVBRSTDUEMQW-CYBMUJFWSA-N 1 0 337.376 1.176 20 5 EDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000597437916 450020644 /nfs/dbraw/zinc/02/06/44/450020644.db2.gz ASINCBFXKBYKFX-HNNXBMFYSA-N 1 0 332.404 1.921 20 5 EDBDRO CCn1cc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000609614132 450068979 /nfs/dbraw/zinc/06/89/79/450068979.db2.gz LTEAAGOYJQVHGI-OAHLLOKOSA-N 1 0 334.376 1.683 20 5 EDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601556589 450071336 /nfs/dbraw/zinc/07/13/36/450071336.db2.gz LZGBXYQANBDSTD-ZFWWWQNUSA-N 1 0 332.404 1.997 20 5 EDBDRO CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000609560135 450051659 /nfs/dbraw/zinc/05/16/59/450051659.db2.gz VMPMEODWESMRJP-ZDUSSCGKSA-N 1 0 335.408 1.163 20 5 EDBDRO C[C@@H]1CN(C)CCN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000609560851 450051957 /nfs/dbraw/zinc/05/19/57/450051957.db2.gz KPPRVMIFVAGLDF-GFCCVEGCSA-N 1 0 343.387 1.700 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000599627295 450113828 /nfs/dbraw/zinc/11/38/28/450113828.db2.gz WVRNLLYLGKGQRJ-UDKBDQPSSA-N 1 0 337.376 1.943 20 5 EDBDRO CC(C)(CO)[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000618286826 450118189 /nfs/dbraw/zinc/11/81/89/450118189.db2.gz MKFYOZLJASIKBE-UHFFFAOYSA-N 1 0 333.392 1.360 20 5 EDBDRO CCC(O)(CC)C[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000599674023 450144273 /nfs/dbraw/zinc/14/42/73/450144273.db2.gz YOVYKXNJOPDHEJ-UHFFFAOYSA-N 1 0 335.404 1.967 20 5 EDBDRO Cc1c(C(=O)N2CC(C[NH+](C)C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000597709283 450212332 /nfs/dbraw/zinc/21/23/32/450212332.db2.gz SPVJWDYWTDKDLS-UHFFFAOYSA-N 1 0 344.375 1.118 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC1CS(=O)(=O)C1 ZINC000615728153 450216125 /nfs/dbraw/zinc/21/61/25/450216125.db2.gz HEHLVJOFVNIAOO-UHFFFAOYSA-N 1 0 328.390 1.518 20 5 EDBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C2 ZINC000597715565 450217207 /nfs/dbraw/zinc/21/72/07/450217207.db2.gz MPORIOIPPKGWSA-INIZCTEOSA-N 1 0 335.408 1.471 20 5 EDBDRO NC(=O)C1(c2ccccc2)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000610453319 450225906 /nfs/dbraw/zinc/22/59/06/450225906.db2.gz BNCKHVMKBHMHAV-UHFFFAOYSA-N 1 0 343.387 1.310 20 5 EDBDRO COc1cc(CN2CC[C@H](Cn3ccnn3)C2)c([N+](=O)[O-])cc1F ZINC000595605807 450258436 /nfs/dbraw/zinc/25/84/36/450258436.db2.gz GZPWEUYDNGWWNV-NSHDSACASA-N 1 0 335.339 1.856 20 5 EDBDRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000524790149 486871906 /nfs/dbraw/zinc/87/19/06/486871906.db2.gz HYYOXUKOTLINBI-SNVBAGLBSA-N 1 0 347.824 1.868 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000610399655 491191883 /nfs/dbraw/zinc/19/18/83/491191883.db2.gz XCHHVHWBFSMBOR-CHWSQXEVSA-N 1 0 348.403 1.171 20 5 EDBDRO Cc1c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000186852370 533811802 /nfs/dbraw/zinc/81/18/02/533811802.db2.gz GOBOALJDKACIET-IINYFYTJSA-N 1 0 344.375 1.212 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000174864085 534889284 /nfs/dbraw/zinc/88/92/84/534889284.db2.gz UPZKVTYDPXKFGI-GFCCVEGCSA-N 1 0 331.380 1.209 20 5 EDBDRO CC(C)(CC(N)=O)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000131581392 526982684 /nfs/dbraw/zinc/98/26/84/526982684.db2.gz WEOHLBXHEAJZCO-UHFFFAOYSA-N 1 0 326.328 1.306 20 5 EDBDRO CCC[NH2+]CCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000154546477 528482895 /nfs/dbraw/zinc/48/28/95/528482895.db2.gz YZUXULQANXPIIL-UHFFFAOYSA-N 1 0 342.783 1.094 20 5 EDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000154441414 528545541 /nfs/dbraw/zinc/54/55/41/528545541.db2.gz OVBJTVJBISCQGU-AAEUAGOBSA-N 1 0 335.408 1.827 20 5 EDBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181900229 529236037 /nfs/dbraw/zinc/23/60/37/529236037.db2.gz HHAGNPLTBNRXLX-OFQRWUPVSA-N 1 0 338.404 1.960 20 5 EDBDRO CC(C)N1C(=O)N[C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000345564614 535140949 /nfs/dbraw/zinc/14/09/49/535140949.db2.gz ZMHAAALVAZTCOF-JKSUJKDBSA-N 1 0 348.403 1.850 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000271088595 535905933 /nfs/dbraw/zinc/90/59/33/535905933.db2.gz HOMQDDVMUNRWDE-UHFFFAOYSA-N 1 0 347.375 1.199 20 5 EDBDRO CN1C(=O)N[C@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000345668346 536326673 /nfs/dbraw/zinc/32/66/73/536326673.db2.gz SNMNBCORQZWEIU-KBPBESRZSA-N 1 0 347.375 1.021 20 5 EDBDRO C[NH2+]CCC1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000262137338 536445062 /nfs/dbraw/zinc/44/50/62/536445062.db2.gz XKFDEWFDFFTANB-UHFFFAOYSA-N 1 0 337.424 1.646 20 5 EDBDRO COC[C@]1(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261949458 536687893 /nfs/dbraw/zinc/68/78/93/536687893.db2.gz WCSDDQUZONFAMA-CQSZACIVSA-N 1 0 343.405 1.179 20 5 EDBDRO CO[C@@H]1C[C@@H](CN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2)[N@H+](C)C1 ZINC000346620145 536775248 /nfs/dbraw/zinc/77/52/48/536775248.db2.gz MFCGDDAOQCYTIH-LSDHHAIUSA-N 1 0 336.392 1.455 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000743258943 579474360 /nfs/dbraw/zinc/47/43/60/579474360.db2.gz OYAZJMOIRKPNON-ZIAGYGMSSA-N 1 0 340.767 1.129 20 5 EDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[NH+]1CCCCC1 ZINC000727372421 578527486 /nfs/dbraw/zinc/52/74/86/578527486.db2.gz GDRVHEVJXWCDSK-GFCCVEGCSA-N 1 0 349.387 1.970 20 5 EDBDRO CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732033750 578687671 /nfs/dbraw/zinc/68/76/71/578687671.db2.gz ARILZUYJQQBDTL-GFCCVEGCSA-N 1 0 334.332 1.812 20 5 EDBDRO CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000732159519 578694970 /nfs/dbraw/zinc/69/49/70/578694970.db2.gz HXCPAXHSHQNPIP-OAHLLOKOSA-N 1 0 337.351 1.665 20 5 EDBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1[N+](=O)[O-] ZINC000733159364 578746033 /nfs/dbraw/zinc/74/60/33/578746033.db2.gz PAWAKKSLHAJJHU-CQSZACIVSA-N 1 0 333.388 1.968 20 5 EDBDRO C[NH+]1CCC2(CCN2C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000747978016 579665514 /nfs/dbraw/zinc/66/55/14/579665514.db2.gz CNVOMNNXLNKQPS-UHFFFAOYSA-N 1 0 346.387 1.021 20 5 EDBDRO C[C@@H]1CN(CCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000749664497 579734019 /nfs/dbraw/zinc/73/40/19/579734019.db2.gz RKMXIMVCLTVTTF-VBQJREDUSA-N 1 0 337.420 1.717 20 5 EDBDRO C[C@@H]1C[NH+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000751923607 579828050 /nfs/dbraw/zinc/82/80/50/579828050.db2.gz ALSSWKSABQYLQS-VXGBXAGGSA-N 1 0 332.360 1.909 20 5 EDBDRO C[C@H](C[S@](C)=O)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000753588399 579883282 /nfs/dbraw/zinc/88/32/82/579883282.db2.gz VHKUNCCDHVSLSE-IPQOISQHSA-N 1 0 325.434 1.920 20 5 EDBDRO COC(=O)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000754517385 579905080 /nfs/dbraw/zinc/90/50/80/579905080.db2.gz CUVLGLQHXJWRRU-IINYFYTJSA-N 1 0 335.360 1.853 20 5 EDBDRO CN1CC[C@](O)(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000762786732 580083132 /nfs/dbraw/zinc/08/31/32/580083132.db2.gz KQRKCJDBJNHRAH-KRWDZBQOSA-N 1 0 334.420 1.220 20 5 EDBDRO COc1cccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000767774248 580199115 /nfs/dbraw/zinc/19/91/15/580199115.db2.gz GDHDEMWLZGKVPZ-VXGBXAGGSA-N 1 0 335.360 1.196 20 5 EDBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771510077 580288161 /nfs/dbraw/zinc/28/81/61/580288161.db2.gz RJVWGFJSPVVFBE-LLVKDONJSA-N 1 0 347.400 1.814 20 5 EDBDRO O=C1CCCN1[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582408 580422242 /nfs/dbraw/zinc/42/22/42/580422242.db2.gz QAAKEBAZOCVMNY-CVEARBPZSA-N 1 0 333.388 1.715 20 5 EDBDRO Cc1nn(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000779868609 580500287 /nfs/dbraw/zinc/50/02/87/580500287.db2.gz ZMFQHMDBFBPYAY-ZFWWWQNUSA-N 1 0 336.440 1.015 20 5 EDBDRO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000781609938 580553286 /nfs/dbraw/zinc/55/32/86/580553286.db2.gz HILUSELXTTYYOL-LBPRGKRZSA-N 1 0 348.359 1.789 20 5 EDBDRO CCCC[N@H+](C)CCNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781974675 580562222 /nfs/dbraw/zinc/56/22/22/580562222.db2.gz MXPPFVPTWAWPJN-INIZCTEOSA-N 1 0 348.403 1.936 20 5 EDBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCCOCC1 ZINC000782416695 580574635 /nfs/dbraw/zinc/57/46/35/580574635.db2.gz JGBITFPLOJKKQC-UHFFFAOYSA-N 1 0 348.403 1.621 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c([N+](=O)[O-])c1 ZINC000782635156 580581439 /nfs/dbraw/zinc/58/14/39/580581439.db2.gz UFLBYPZFNCBRMI-BZNIZROVSA-N 1 0 335.360 1.246 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCC=CO2)cc1[N+](=O)[O-] ZINC000788968149 580733862 /nfs/dbraw/zinc/73/38/62/580733862.db2.gz VYKNHRPZOMVTIW-CYBMUJFWSA-N 1 0 336.344 1.929 20 5 EDBDRO CSC1(CNC(=O)c2cc([N+](=O)[O-])ccc2N)CC[NH+](C)CC1 ZINC000793358759 580842803 /nfs/dbraw/zinc/84/28/03/580842803.db2.gz PYEHJXQWKUGIKY-UHFFFAOYSA-N 1 0 338.433 1.734 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000794948059 580908675 /nfs/dbraw/zinc/90/86/75/580908675.db2.gz HAXXRJSQDQRHDF-QMTHXVAHSA-N 1 0 338.795 1.823 20 5 EDBDRO O=C(OCCn1cc([N+](=O)[O-])ccc1=O)C1CC[NH+](C2CC2)CC1 ZINC000801875191 581087048 /nfs/dbraw/zinc/08/70/48/581087048.db2.gz KWHCQMFYAHKHAS-UHFFFAOYSA-N 1 0 335.360 1.174 20 5 EDBDRO CCC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2OC)CC[N@@H+]1CCOC ZINC000893055538 590638727 /nfs/dbraw/zinc/63/87/27/590638727.db2.gz FXAIJQALLKVYCS-CYBMUJFWSA-N 1 0 338.408 1.936 20 5 EDBDRO C[NH+](C)C(C)(C)CNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000892059200 590775875 /nfs/dbraw/zinc/77/58/75/590775875.db2.gz YYBPFYDDHIAIHZ-UHFFFAOYSA-N 1 0 345.403 1.910 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC000892412985 591018201 /nfs/dbraw/zinc/01/82/01/591018201.db2.gz AKYFAPPHYGVQBU-GFCCVEGCSA-N 1 0 334.351 1.837 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891396018 591066881 /nfs/dbraw/zinc/06/68/81/591066881.db2.gz DDIRWLCSVGXGJV-ZIAGYGMSSA-N 1 0 334.376 1.639 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCC1(F)F ZINC000891605937 591146632 /nfs/dbraw/zinc/14/66/32/591146632.db2.gz CJCUQXFDXYIBJF-GFCCVEGCSA-N 1 0 342.346 1.681 20 5 EDBDRO COc1cc([N+](=O)[O-])cnc1NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000891680761 591181639 /nfs/dbraw/zinc/18/16/39/591181639.db2.gz LNVOIRFAPHUSAA-AWEZNQCLSA-N 1 0 337.424 1.682 20 5 EDBDRO C[C@@]1(NC(=O)CCOc2ccccc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000892795227 591182483 /nfs/dbraw/zinc/18/24/83/591182483.db2.gz ZLVVQHJVQQFUFC-QGZVFWFLSA-N 1 0 333.388 1.964 20 5 EDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC000895769701 591269825 /nfs/dbraw/zinc/26/98/25/591269825.db2.gz BPCFJUGFPPBRQY-XJKSGUPXSA-N 1 0 347.415 1.801 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000895009186 591520113 /nfs/dbraw/zinc/52/01/13/591520113.db2.gz UAUXFEGFXLLPAR-AWEZNQCLSA-N 1 0 331.319 1.699 20 5 EDBDRO C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1C[N@H+](C)CCN1C ZINC000896563530 591526864 /nfs/dbraw/zinc/52/68/64/591526864.db2.gz LAUGAHJYWHDTHZ-MEDUHNTESA-N 1 0 345.403 1.440 20 5 EDBDRO C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H]1C[N@H+](C)CCN1C ZINC000896567867 591529385 /nfs/dbraw/zinc/52/93/85/591529385.db2.gz ITYGQMNIEZWFDW-NHYWBVRUSA-N 1 0 345.403 1.440 20 5 EDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000896574098 591533897 /nfs/dbraw/zinc/53/38/97/591533897.db2.gz XDZUQVYACQXSOI-YGRLFVJLSA-N 1 0 340.811 1.612 20 5 EDBDRO CN1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@H+](C)CC1 ZINC000897855447 591679233 /nfs/dbraw/zinc/67/92/33/591679233.db2.gz CLMNPTVVADXMNL-UHFFFAOYSA-N 1 0 326.828 1.927 20 5 EDBDRO COc1cc(N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])cc1OC ZINC000895246667 591679519 /nfs/dbraw/zinc/67/95/19/591679519.db2.gz OZLKLNVYSJMSEP-BXUZGUMPSA-N 1 0 338.408 1.658 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1C ZINC000897878978 591703990 /nfs/dbraw/zinc/70/39/90/591703990.db2.gz DCHVNQQEIGJKJY-AWEZNQCLSA-N 1 0 335.404 1.788 20 5 EDBDRO CCO[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000902972682 592096008 /nfs/dbraw/zinc/09/60/08/592096008.db2.gz YDIKHMRJBNIKCS-NSHDSACASA-N 1 0 328.344 1.822 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)cc1[N+](=O)[O-] ZINC000903201566 592134853 /nfs/dbraw/zinc/13/48/53/592134853.db2.gz JMDTZRNKHQJQIP-UHFFFAOYSA-N 1 0 339.417 1.762 20 5 EDBDRO C[C@H](C[NH2+][C@@H]1C(=O)NCC12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000903244683 592143430 /nfs/dbraw/zinc/14/34/30/592143430.db2.gz BCNTXZWTQAFQAS-IUODEOHRSA-N 1 0 333.388 1.583 20 5 EDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000903588285 592223467 /nfs/dbraw/zinc/22/34/67/592223467.db2.gz HUPFXSDCQNRDJZ-UHFFFAOYSA-N 1 0 335.813 1.867 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC000903594895 592238016 /nfs/dbraw/zinc/23/80/16/592238016.db2.gz GROYXWCNUSBEJS-CQSZACIVSA-N 1 0 325.390 1.420 20 5 EDBDRO C[C@@](O)(C[NH2+]CCn1cc([N+](=O)[O-])cn1)C(F)(F)C(F)(F)F ZINC000905174704 592454771 /nfs/dbraw/zinc/45/47/71/592454771.db2.gz GMUHJWMVFINOJI-MRVPVSSYSA-N 1 0 332.229 1.330 20 5 EDBDRO CSC1CCC(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000905507780 592547953 /nfs/dbraw/zinc/54/79/53/592547953.db2.gz DUUQBFUENOSCLC-HRDQMINSSA-N 1 0 328.438 1.664 20 5 EDBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000907547210 592702388 /nfs/dbraw/zinc/70/23/88/592702388.db2.gz CJKJCNMEOWVNCI-RISCZKNCSA-N 1 0 325.390 1.167 20 5 EDBDRO CN(CC1C[NH+](C)C1)C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000912455626 593098167 /nfs/dbraw/zinc/09/81/67/593098167.db2.gz RYQHEJCCTZFVPU-UHFFFAOYSA-N 1 0 335.360 1.390 20 5 EDBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000838136576 593129824 /nfs/dbraw/zinc/12/98/24/593129824.db2.gz BMQHHGSWVHXNPU-LLVKDONJSA-N 1 0 336.348 1.965 20 5 EDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000796117388 593191785 /nfs/dbraw/zinc/19/17/85/593191785.db2.gz YJSJOLZJUCPYKA-WDEREUQCSA-N 1 0 345.446 1.904 20 5 EDBDRO NC(=O)C[C@@H]1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000808228319 593243057 /nfs/dbraw/zinc/24/30/57/593243057.db2.gz TUPMWYQCMGYQIS-NSHDSACASA-N 1 0 330.348 1.008 20 5 EDBDRO CCn1c(CC[NH3+])nnc1Sc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804531228 593421767 /nfs/dbraw/zinc/42/17/67/593421767.db2.gz UTCIIGYOSFOBLP-UHFFFAOYSA-N 1 0 338.349 1.767 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C[C@@H]2C1 ZINC000812335314 593497936 /nfs/dbraw/zinc/49/79/36/593497936.db2.gz SSIYYURSLXNFOP-MNOVXSKESA-N 1 0 329.360 1.495 20 5 EDBDRO CS(=O)(=O)C[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000814641203 593599098 /nfs/dbraw/zinc/59/90/98/593599098.db2.gz FCBPNEPMTLIXBS-DOMZBBRYSA-N 1 0 342.417 1.385 20 5 EDBDRO Cc1c(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000817490537 593607560 /nfs/dbraw/zinc/60/75/60/593607560.db2.gz RGJJRWYMTQNMGN-LLVKDONJSA-N 1 0 336.348 1.978 20 5 EDBDRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815627257 593644698 /nfs/dbraw/zinc/64/46/98/593644698.db2.gz XLAFNIAEMNHMIR-CABZTGNLSA-N 1 0 326.422 1.695 20 5 EDBDRO Cn1ncc(CCC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000815640307 593645150 /nfs/dbraw/zinc/64/51/50/593645150.db2.gz UOBYEPDRWKVNPM-UONOGXRCSA-N 1 0 333.396 1.626 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000818559996 593704768 /nfs/dbraw/zinc/70/47/68/593704768.db2.gz YGXMEGFCDNCXAC-RISCZKNCSA-N 1 0 331.376 1.673 20 5 EDBDRO Cc1c(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818604187 593707219 /nfs/dbraw/zinc/70/72/19/593707219.db2.gz AFIWBRMLGZBFDM-IINYFYTJSA-N 1 0 334.332 1.635 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2nnc3n2CCCCC3)cc1 ZINC000818946493 593729428 /nfs/dbraw/zinc/72/94/28/593729428.db2.gz PBTKFTSQVSQTBU-OAHLLOKOSA-N 1 0 345.403 1.778 20 5 EDBDRO O=C1NCCc2ccc(C[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)cc21 ZINC000819228109 593745634 /nfs/dbraw/zinc/74/56/34/593745634.db2.gz HADVTXJXMRCQHH-QGZVFWFLSA-N 1 0 341.367 1.704 20 5 EDBDRO CN1CC[NH+](CC2CN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000820459255 593820162 /nfs/dbraw/zinc/82/01/62/593820162.db2.gz NLVWBDLQQRXTTC-DAXSKMNVSA-N 1 0 344.415 1.314 20 5 EDBDRO O=C(NCC[NH+]1CCC(O)CC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000821869999 593957815 /nfs/dbraw/zinc/95/78/15/593957815.db2.gz FPUJHXUJBGUDBU-CVEARBPZSA-N 1 0 333.388 1.271 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)[C@H](C)C1 ZINC000821253521 593998225 /nfs/dbraw/zinc/99/82/25/593998225.db2.gz GDPRUAGXWIRWIZ-RISCZKNCSA-N 1 0 345.407 1.941 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000824724235 594062570 /nfs/dbraw/zinc/06/25/70/594062570.db2.gz NEMWPVJVPTYPKZ-HNNXBMFYSA-N 1 0 347.415 1.883 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000822933533 594124636 /nfs/dbraw/zinc/12/46/36/594124636.db2.gz JTEKQTQIZYDVRH-KBPBESRZSA-N 1 0 333.388 1.493 20 5 EDBDRO COC1CC[NH+](C(C)(C)CNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000823186002 594166258 /nfs/dbraw/zinc/16/62/58/594166258.db2.gz UGXYDKUSJKAAMQ-UHFFFAOYSA-N 1 0 329.441 1.828 20 5 EDBDRO CC[NH+]1CCN(CCC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000825647943 594210531 /nfs/dbraw/zinc/21/05/31/594210531.db2.gz KFPCXVYBHNAEKW-UHFFFAOYSA-N 1 0 334.420 1.547 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)n1 ZINC000826669140 594550884 /nfs/dbraw/zinc/55/08/84/594550884.db2.gz ZGGQOFNKILMZBK-CYBMUJFWSA-N 1 0 335.408 1.855 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827213428 594653176 /nfs/dbraw/zinc/65/31/76/594653176.db2.gz OSIGKRBIHKKQFT-VNQPRFMTSA-N 1 0 333.388 1.571 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CC[C@H]21 ZINC000827358119 594664494 /nfs/dbraw/zinc/66/44/94/594664494.db2.gz WIAHUQRDCYYLSP-DGCLKSJQSA-N 1 0 347.371 1.532 20 5 EDBDRO CCO[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C[NH+](C)C ZINC000831743563 594698341 /nfs/dbraw/zinc/69/83/41/594698341.db2.gz JROLVNOPMDOZES-CYBMUJFWSA-N 1 0 329.784 1.945 20 5 EDBDRO CCO[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000831766048 594700902 /nfs/dbraw/zinc/70/09/02/594700902.db2.gz GQLRNFFDBZJUPH-CQSZACIVSA-N 1 0 325.365 1.057 20 5 EDBDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2c(C)c([N+](=O)[O-])ccc2F)C1 ZINC000841164865 594861690 /nfs/dbraw/zinc/86/16/90/594861690.db2.gz YDVXSQNRDHABCX-JTQLQIEISA-N 1 0 338.339 1.191 20 5 EDBDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000841164819 594861802 /nfs/dbraw/zinc/86/18/02/594861802.db2.gz XBZBGXWKVHQZCF-SNVBAGLBSA-N 1 0 340.767 1.397 20 5 EDBDRO [NH3+][C@H]1C[C@@H](c2nc(-c3ccc(-n4cncn4)c([N+](=O)[O-])c3)no2)C1 ZINC000843237869 595046255 /nfs/dbraw/zinc/04/62/55/595046255.db2.gz WIQDLKMMRWZWNY-AOOOYVTPSA-N 1 0 327.304 1.430 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000843324717 595074184 /nfs/dbraw/zinc/07/41/84/595074184.db2.gz QZRQRRFKNJGINN-MNOVXSKESA-N 1 0 336.348 1.929 20 5 EDBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC([NH3+])CC1 ZINC000843345137 595081263 /nfs/dbraw/zinc/08/12/63/595081263.db2.gz UUYUYBUTFVHHCA-SECBINFHSA-N 1 0 326.784 1.998 20 5 EDBDRO [NH3+]CC1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000843344969 595081408 /nfs/dbraw/zinc/08/14/08/595081408.db2.gz JUJUWPLREPTTHF-UHFFFAOYSA-N 1 0 326.784 1.857 20 5 EDBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000843377143 595093529 /nfs/dbraw/zinc/09/35/29/595093529.db2.gz OSQPGPBQSOCSPV-AWEZNQCLSA-N 1 0 338.383 1.553 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc([N+](=O)[O-])c1F ZINC000842483177 595118753 /nfs/dbraw/zinc/11/87/53/595118753.db2.gz GFHFXQQZIWOPTC-QMTHXVAHSA-N 1 0 345.396 1.648 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000843478924 595124265 /nfs/dbraw/zinc/12/42/65/595124265.db2.gz PFHXODLIYKZPGM-PJCOJXEDSA-N 1 0 336.348 1.928 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000842720621 595180152 /nfs/dbraw/zinc/18/01/52/595180152.db2.gz YEVFKHPRQSNPQY-MWLCHTKSSA-N 1 0 347.824 1.914 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000842765805 595192457 /nfs/dbraw/zinc/19/24/57/595192457.db2.gz VEGYBWMQLODPPQ-NXEZZACHSA-N 1 0 347.824 1.928 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC2(CC([NH3+])C2)C1 ZINC000842795099 595201982 /nfs/dbraw/zinc/20/19/82/595201982.db2.gz CICJJYVLLNAAKY-UHFFFAOYSA-N 1 0 325.390 1.451 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2CC3(CC([NH3+])C3)C2)c1C ZINC000842798309 595202995 /nfs/dbraw/zinc/20/29/95/595202995.db2.gz SUCQLRAFARDBLA-UHFFFAOYSA-N 1 0 339.417 1.760 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000842836589 595213330 /nfs/dbraw/zinc/21/33/30/595213330.db2.gz SSJIUKHAEZUCHS-UWVGGRQHSA-N 1 0 347.824 1.928 20 5 EDBDRO Cc1cc(S(=O)(=O)NC(C)(C)CCC[NH3+])cc([N+](=O)[O-])c1F ZINC000842873246 595221839 /nfs/dbraw/zinc/22/18/39/595221839.db2.gz JKQOLTOCURBHJQ-UHFFFAOYSA-N 1 0 333.385 1.838 20 5 EDBDRO Cc1c(C(=O)N[C@@H](CC[NH3+])C(F)F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000834831084 595225195 /nfs/dbraw/zinc/22/51/95/595225195.db2.gz NZZAKDJJYRZKDB-VIFPVBQESA-N 1 0 346.290 1.832 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)c1ccsc1 ZINC000843083387 595282899 /nfs/dbraw/zinc/28/28/99/595282899.db2.gz HLLCDNZWHFVATF-OCCSQVGLSA-N 1 0 338.385 1.719 20 5 EDBDRO C[NH+](C)CCN1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1=O ZINC000844375894 595333386 /nfs/dbraw/zinc/33/33/86/595333386.db2.gz MKCHIYWYMQDZRP-UHFFFAOYSA-N 1 0 340.811 1.454 20 5 EDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000845344373 595482482 /nfs/dbraw/zinc/48/24/82/595482482.db2.gz VWQIJADOFCMVHZ-ZIAGYGMSSA-N 1 0 337.351 1.256 20 5 EDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000845344369 595482526 /nfs/dbraw/zinc/48/25/26/595482526.db2.gz VWQIJADOFCMVHZ-KBPBESRZSA-N 1 0 337.351 1.256 20 5 EDBDRO Cn1cc(COC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000847785242 595483580 /nfs/dbraw/zinc/48/35/80/595483580.db2.gz KMLVGXRJYXOVMN-CQSZACIVSA-N 1 0 328.344 1.584 20 5 EDBDRO C[C@@]12COC[C@H]1C[N@H+](Cn1cnc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000853567173 595807252 /nfs/dbraw/zinc/80/72/52/595807252.db2.gz ULVJAVACMUFIGV-CZUORRHYSA-N 1 0 329.360 1.779 20 5 EDBDRO NC(COC[C@@H]1CCOC1)=NOCc1ccc(F)cc1[N+](=O)[O-] ZINC000853727688 595864774 /nfs/dbraw/zinc/86/47/74/595864774.db2.gz GIYFBXQBVRGVOB-SNVBAGLBSA-N 1 0 327.312 1.785 20 5 EDBDRO C[C@@H](CN(C)CCC[NH+](C)C)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000853773358 595876301 /nfs/dbraw/zinc/87/63/01/595876301.db2.gz AZDFFUKVNWAKKJ-ZDUSSCGKSA-N 1 0 334.424 1.926 20 5 EDBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000851949417 595981957 /nfs/dbraw/zinc/98/19/57/595981957.db2.gz DLASMCULMLXWKY-KOLCDFICSA-N 1 0 326.353 1.848 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cc(C3CC[NH2+]CC3)no2)n1 ZINC000854153018 595991826 /nfs/dbraw/zinc/99/18/26/595991826.db2.gz CAIRAFCHUKEWPB-UHFFFAOYSA-N 1 0 345.319 1.500 20 5 EDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000861911294 596147306 /nfs/dbraw/zinc/14/73/06/596147306.db2.gz AJPPWMQRCBAFHZ-RTUWITSCSA-N 1 0 341.770 1.948 20 5 EDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000862215166 596277267 /nfs/dbraw/zinc/27/72/67/596277267.db2.gz FBRLGEXUFBZOGW-ZZXKWVIFSA-N 1 0 345.399 1.931 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866722173 596310450 /nfs/dbraw/zinc/31/04/50/596310450.db2.gz VKNPDDZAOHGGRQ-UKRRQHHQSA-N 1 0 348.403 1.758 20 5 EDBDRO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000863549999 596615643 /nfs/dbraw/zinc/61/56/43/596615643.db2.gz LUZCLKIQPDGVLS-CVEARBPZSA-N 1 0 346.387 1.352 20 5 EDBDRO COC(=O)C1=CC[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000863571882 596622038 /nfs/dbraw/zinc/62/20/38/596622038.db2.gz GHWWUDMHWOTOSD-OCCSQVGLSA-N 1 0 336.344 1.186 20 5 EDBDRO C[N@@H+]1CCN(CCNc2cc(F)c([N+](=O)[O-])cc2CO)CC1(C)C ZINC000865757431 596672343 /nfs/dbraw/zinc/67/23/43/596672343.db2.gz RGWJQJBFRGDKOF-UHFFFAOYSA-N 1 0 340.399 1.664 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000866206761 596826555 /nfs/dbraw/zinc/82/65/55/596826555.db2.gz FVQOJFKVPVGMJM-WCQYABFASA-N 1 0 334.376 1.615 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3S(C)(=O)=O)CC[C@H]21 ZINC000866206688 596826689 /nfs/dbraw/zinc/82/66/89/596826689.db2.gz FKQALGQGXHJCAW-WCQYABFASA-N 1 0 339.417 1.529 20 5 EDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866207212 596827068 /nfs/dbraw/zinc/82/70/68/596827068.db2.gz ANARQQYKTNXYGK-DTWKUNHWSA-N 1 0 333.314 1.878 20 5 EDBDRO O=C1CC2(CCOCC2)[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1 ZINC000872288046 596868842 /nfs/dbraw/zinc/86/88/42/596868842.db2.gz SGFWSUOGXYKNDW-UHFFFAOYSA-N 1 0 349.387 1.345 20 5 EDBDRO O=[N+]([O-])c1ccc(OS(=O)(=O)CCC[NH+]2CCCC2)c(F)c1 ZINC000866501870 596893943 /nfs/dbraw/zinc/89/39/43/596893943.db2.gz CLUMLFKJYPXLMD-UHFFFAOYSA-N 1 0 332.353 1.928 20 5 EDBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000124860392 596946323 /nfs/dbraw/zinc/94/63/23/596946323.db2.gz FSVSLSTYTKRTQP-GFCCVEGCSA-N 1 0 327.406 1.584 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000874363047 597033678 /nfs/dbraw/zinc/03/36/78/597033678.db2.gz KCYUOSLAHQGSIO-KBPBESRZSA-N 1 0 346.387 1.537 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC[C@H]21 ZINC000872725586 597047391 /nfs/dbraw/zinc/04/73/91/597047391.db2.gz UTIHBHDDMLEOIW-DGCLKSJQSA-N 1 0 344.371 1.174 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(Cn3cc(Br)c([N+](=O)[O-])n3)CC[C@H]21 ZINC000872726953 597048003 /nfs/dbraw/zinc/04/80/03/597048003.db2.gz XICNWLKUTOKFRM-MWLCHTKSSA-N 1 0 344.213 1.537 20 5 EDBDRO Cc1c(C[NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cccc1[N+](=O)[O-] ZINC000873064964 597177519 /nfs/dbraw/zinc/17/75/19/597177519.db2.gz BRJSXIDTFABSNT-XHDPSFHLSA-N 1 0 343.387 1.920 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000873100981 597194653 /nfs/dbraw/zinc/19/46/53/597194653.db2.gz KVZUVXGYGQARBX-CJNGLKHVSA-N 1 0 335.404 1.937 20 5 EDBDRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000876469469 597211774 /nfs/dbraw/zinc/21/17/74/597211774.db2.gz CYTZBWGWCSIQHW-MRXNPFEDSA-N 1 0 337.376 1.014 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO1 ZINC000876544815 597235143 /nfs/dbraw/zinc/23/51/43/597235143.db2.gz YIAUHFXXMHXSFB-ZBEGNZNMSA-N 1 0 329.356 1.936 20 5 EDBDRO O=C([C@@H](F)[C@@H]1CC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000876550659 597236444 /nfs/dbraw/zinc/23/64/44/597236444.db2.gz AFFTVRJCUWJHQN-DOMZBBRYSA-N 1 0 336.367 1.191 20 5 EDBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877282569 597486257 /nfs/dbraw/zinc/48/62/57/597486257.db2.gz RNMKPVXYGNOMLC-HOCLYGCPSA-N 1 0 341.371 1.747 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000877365901 597502137 /nfs/dbraw/zinc/50/21/37/597502137.db2.gz ICZXSJQEGHJSOP-CMPLNLGQSA-N 1 0 331.294 1.733 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000877365370 597502260 /nfs/dbraw/zinc/50/22/60/597502260.db2.gz PXICDIBZTDFTNG-GZMMTYOYSA-N 1 0 335.257 1.943 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000877981961 597567771 /nfs/dbraw/zinc/56/77/71/597567771.db2.gz CZIAAJKBMYFNGH-UWVGGRQHSA-N 1 0 349.778 1.949 20 5 EDBDRO CO[C@H]1COCC[C@H]1[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000880423033 597928151 /nfs/dbraw/zinc/92/81/51/597928151.db2.gz AXZPDDJZYNNRES-CABCVRRESA-N 1 0 338.360 1.697 20 5 EDBDRO O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000882396941 597956229 /nfs/dbraw/zinc/95/62/29/597956229.db2.gz OAAIXLPBQVGZEN-BZUAXINKSA-N 1 0 330.388 1.575 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](O)COCC3CC3)CC2)cc1 ZINC000130049966 598049058 /nfs/dbraw/zinc/04/90/58/598049058.db2.gz RTMYTCFHOJFBQN-GOSISDBHSA-N 1 0 349.431 1.941 20 5 EDBDRO NC(=O)C1([NH+]2CCCCC2)CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000882816685 598069647 /nfs/dbraw/zinc/06/96/47/598069647.db2.gz VLXCFMYITFMIMT-UHFFFAOYSA-N 1 0 332.404 1.905 20 5 EDBDRO CCO[C@@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000914240105 695299939 /nfs/dbraw/zinc/29/99/39/695299939.db2.gz YXNZAZAYGLXMOO-WFASDCNBSA-N 1 0 338.408 1.922 20 5 EDBDRO C[NH+]1C[C@@]2(C)CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000918351865 697156467 /nfs/dbraw/zinc/15/64/67/697156467.db2.gz OGBDKJNPQLNVLD-GJZGRUSLSA-N 1 0 339.417 1.557 20 5 EDBDRO C[C@H]1[C@@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC[N@@H+]1C ZINC000925334801 697531441 /nfs/dbraw/zinc/53/14/41/697531441.db2.gz NPPRVXDYAPSQRU-NHYWBVRUSA-N 1 0 334.376 1.460 20 5 EDBDRO [NH3+]C1CCC(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000237816372 698384596 /nfs/dbraw/zinc/38/45/96/698384596.db2.gz LZXMJTJBCMYEED-UHFFFAOYSA-N 1 0 329.360 1.780 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)c(Cl)c1 ZINC000070120693 700544379 /nfs/dbraw/zinc/54/43/79/700544379.db2.gz QHUCFNMDUDVUEI-VIFPVBQESA-N 1 0 333.797 1.669 20 5 EDBDRO O=C(CC1(O)CCC1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000996373918 702740824 /nfs/dbraw/zinc/74/08/24/702740824.db2.gz USDONKWSNRUONA-UHFFFAOYSA-N 1 0 347.415 1.981 20 5 EDBDRO CN(CC[NH3+])C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000701021950 708501538 /nfs/dbraw/zinc/50/15/38/708501538.db2.gz FGXUVYDEBZGFSX-UHFFFAOYSA-N 1 0 349.128 1.230 20 5 EDBDRO Cc1cncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001034643250 710319317 /nfs/dbraw/zinc/31/93/17/710319317.db2.gz LJDIYBPMTZJUMA-KLHDSHLOSA-N 1 0 332.404 1.572 20 5 EDBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034643300 710319371 /nfs/dbraw/zinc/31/93/71/710319371.db2.gz MEQOVDDYGDMTNK-QHSBEEBCSA-N 1 0 336.367 1.403 20 5 EDBDRO Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC001034643825 710319732 /nfs/dbraw/zinc/31/97/32/710319732.db2.gz UDPPZUQAOQMYMP-DDHJBXDOSA-N 1 0 339.421 1.029 20 5 EDBDRO O=C(Cc1ncc[nH]1)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001003842780 710679393 /nfs/dbraw/zinc/67/93/93/710679393.db2.gz RUORMTOLXMOWGD-UHFFFAOYSA-N 1 0 343.387 1.641 20 5 EDBDRO CC(C)(C(=O)N1CCC(n2ccnc2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000102344878 219196289 /nfs/dbraw/zinc/19/62/89/219196289.db2.gz HILLMCOGOMELBW-UHFFFAOYSA-N 1 0 332.364 1.587 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000563133959 306319729 /nfs/dbraw/zinc/31/97/29/306319729.db2.gz WDOKKEAQVVRKKK-CQSZACIVSA-N 1 0 327.406 1.517 20 5 EDBDRO CC[N@@H+]1CC[C@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000412837550 304039724 /nfs/dbraw/zinc/03/97/24/304039724.db2.gz JYLNYHQDYLKGSZ-LBPRGKRZSA-N 1 0 335.360 1.119 20 5 EDBDRO C[C@H]1C[C@@H](C[NH3+])CN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420323705 291055893 /nfs/dbraw/zinc/05/58/93/291055893.db2.gz UNTWQCGNARSQRF-RYUDHWBXSA-N 1 0 327.406 1.038 20 5 EDBDRO Cc1ccc(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000184305182 235362338 /nfs/dbraw/zinc/36/23/38/235362338.db2.gz MEXWQIQXPLBCOS-AWEZNQCLSA-N 1 0 334.420 1.659 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081293469 138266051 /nfs/dbraw/zinc/26/60/51/138266051.db2.gz KBVSSNMMOAYMPR-OAHLLOKOSA-N 1 0 349.435 1.871 20 5 EDBDRO CNC(=O)C1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000026341696 202141569 /nfs/dbraw/zinc/14/15/69/202141569.db2.gz ULKUCGVYOWGTPF-UHFFFAOYSA-N 1 0 348.403 1.690 20 5 EDBDRO Cc1nn(C)c(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000126136317 138337445 /nfs/dbraw/zinc/33/74/45/138337445.db2.gz WKHQAVHGOFYAPM-CYBMUJFWSA-N 1 0 337.424 1.877 20 5 EDBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000028484834 202171172 /nfs/dbraw/zinc/17/11/72/202171172.db2.gz AVUAWWQUFQWEFG-UHFFFAOYSA-N 1 0 345.403 1.950 20 5 EDBDRO C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187253143 236158402 /nfs/dbraw/zinc/15/84/02/236158402.db2.gz RRHZFORSLXOHGC-LRDDRELGSA-N 1 0 331.376 1.599 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H]1CCC[NH2+]1 ZINC000178744301 138745447 /nfs/dbraw/zinc/74/54/47/138745447.db2.gz MFROHLJRMBBSAA-JTQLQIEISA-N 1 0 342.193 1.768 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000359875094 201114336 /nfs/dbraw/zinc/11/43/36/201114336.db2.gz RPXPTORAMAVDJC-HNNXBMFYSA-N 1 0 328.372 1.716 20 5 EDBDRO CC1(C)C[C@@H]([NH2+]C[C@@H](O)Cn2ccnn2)c2cc([N+](=O)[O-])ccc21 ZINC000414196062 304105383 /nfs/dbraw/zinc/10/53/83/304105383.db2.gz UZNBZDCGFCIQJL-IUODEOHRSA-N 1 0 331.376 1.559 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC2=CC[N@H+](C)CC2)cc([N+](=O)[O-])c1F ZINC000273919456 201264328 /nfs/dbraw/zinc/26/43/28/201264328.db2.gz JNUUZCIZEZRHTC-UHFFFAOYSA-N 1 0 343.380 1.583 20 5 EDBDRO CC[NH+](CC)C[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072823324 203246103 /nfs/dbraw/zinc/24/61/03/203246103.db2.gz KDWUQCGJBYPECE-CYBMUJFWSA-N 1 0 334.420 1.857 20 5 EDBDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000103284725 204071800 /nfs/dbraw/zinc/07/18/00/204071800.db2.gz MTWYCKPLTXYKFY-GHMZBOCLSA-N 1 0 335.360 1.547 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000104748194 204117885 /nfs/dbraw/zinc/11/78/85/204117885.db2.gz CMDOYBVNWQVLAF-GFCCVEGCSA-N 1 0 327.406 1.475 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000106364831 204191037 /nfs/dbraw/zinc/19/10/37/204191037.db2.gz HHOSKZZGMRNWDM-GFCCVEGCSA-N 1 0 336.348 1.978 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000109806509 204294649 /nfs/dbraw/zinc/29/46/49/204294649.db2.gz NTGUXDREEZPHFO-OAHLLOKOSA-N 1 0 332.404 1.510 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000108831565 204272371 /nfs/dbraw/zinc/27/23/71/204272371.db2.gz GTEHBSBNBMWHMP-GFCCVEGCSA-N 1 0 329.422 1.745 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CCO[C@@H]4C[NH2+]C[C@@H]43)cs2)c1 ZINC000415146758 304164833 /nfs/dbraw/zinc/16/48/33/304164833.db2.gz ZGCNLUAVZKQXQP-LSDHHAIUSA-N 1 0 346.412 1.891 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000121766258 204823103 /nfs/dbraw/zinc/82/31/03/204823103.db2.gz QDCILJFSVJTOMM-AAEUAGOBSA-N 1 0 344.375 1.517 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000129210216 205185213 /nfs/dbraw/zinc/18/52/13/205185213.db2.gz MUCNRQSQZFJQJK-JTQLQIEISA-N 1 0 347.462 1.838 20 5 EDBDRO Cc1nccn1CCC[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000130923757 205266211 /nfs/dbraw/zinc/26/62/11/205266211.db2.gz FJKHGHCPNORBMY-UHFFFAOYSA-N 1 0 331.376 1.721 20 5 EDBDRO Cc1cccc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000131589705 205295291 /nfs/dbraw/zinc/29/52/91/205295291.db2.gz FOCYJMFOOBDQEX-CQSZACIVSA-N 1 0 335.404 1.870 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000237768926 139059910 /nfs/dbraw/zinc/05/99/10/139059910.db2.gz YQPIOBVAAFQCAN-JTQLQIEISA-N 1 0 347.824 1.916 20 5 EDBDRO Cc1c(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)cccc1[N+](=O)[O-] ZINC000237827059 139061450 /nfs/dbraw/zinc/06/14/50/139061450.db2.gz FBFQOMYLEBCBJX-UHFFFAOYSA-N 1 0 330.348 1.672 20 5 EDBDRO Cc1c(C(=O)N[C@H]2CCC[C@H]2C[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000237850090 139061893 /nfs/dbraw/zinc/06/18/93/139061893.db2.gz CNNBBJUDQUZPOK-FZMZJTMJSA-N 1 0 344.375 1.341 20 5 EDBDRO [NH3+]CC1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000238036281 139067231 /nfs/dbraw/zinc/06/72/31/139067231.db2.gz JPVBDPHIRTYEEH-UHFFFAOYSA-N 1 0 333.797 1.608 20 5 EDBDRO CC(C)(C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])OCCO ZINC000568089422 306471861 /nfs/dbraw/zinc/47/18/61/306471861.db2.gz WPTDVYNLZHUNSO-UHFFFAOYSA-N 1 0 325.365 1.301 20 5 EDBDRO Cc1nn(CCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000247563785 139152413 /nfs/dbraw/zinc/15/24/13/139152413.db2.gz ZUAURBXINQXZSC-SMDDNHRTSA-N 1 0 337.424 1.739 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NC2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000248265599 139159872 /nfs/dbraw/zinc/15/98/72/139159872.db2.gz DOCPXXSQJUHDOM-UHFFFAOYSA-N 1 0 335.360 1.596 20 5 EDBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000171199764 206672777 /nfs/dbraw/zinc/67/27/77/206672777.db2.gz HAFXQKACMINEPY-LLVKDONJSA-N 1 0 325.413 1.877 20 5 EDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000249808737 139199033 /nfs/dbraw/zinc/19/90/33/139199033.db2.gz XOKXOJDTWADESZ-STQMWFEESA-N 1 0 348.403 1.171 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000250399955 139201023 /nfs/dbraw/zinc/20/10/23/139201023.db2.gz XQVPCRHPXTWHHH-WCQYABFASA-N 1 0 335.360 1.196 20 5 EDBDRO COC(=O)COc1ccc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000261751319 139223139 /nfs/dbraw/zinc/22/31/39/139223139.db2.gz CDOHKFUDNPEPQO-DGCLKSJQSA-N 1 0 337.376 1.316 20 5 EDBDRO [NH3+][C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1 ZINC000261785388 139225872 /nfs/dbraw/zinc/22/58/72/139225872.db2.gz PSGHLDUSUWEZJS-LSDHHAIUSA-N 1 0 329.360 1.135 20 5 EDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000261907707 139235846 /nfs/dbraw/zinc/23/58/46/139235846.db2.gz XOTBWLWSRNFFGT-UWVGGRQHSA-N 1 0 330.344 1.658 20 5 EDBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261921967 139237177 /nfs/dbraw/zinc/23/71/77/139237177.db2.gz RRXKBEKGHVBNMD-LLVKDONJSA-N 1 0 338.795 1.368 20 5 EDBDRO C[C@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262068150 139248222 /nfs/dbraw/zinc/24/82/22/139248222.db2.gz FSZICCUEKHWLPX-SMDDNHRTSA-N 1 0 327.406 1.781 20 5 EDBDRO C[C@@H]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000174314604 207011066 /nfs/dbraw/zinc/01/10/66/207011066.db2.gz QELSJPYNAWFNIB-VXGBXAGGSA-N 1 0 327.406 1.651 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174254922 207003946 /nfs/dbraw/zinc/00/39/46/207003946.db2.gz FCRNZKVLMSZDSB-MRXNPFEDSA-N 1 0 330.388 1.793 20 5 EDBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000415492419 250969357 /nfs/dbraw/zinc/96/93/57/250969357.db2.gz BXZHCMZSZFRBSS-CABCVRRESA-N 1 0 334.376 1.955 20 5 EDBDRO Cc1c(CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)cccc1[N+](=O)[O-] ZINC000416031405 251049849 /nfs/dbraw/zinc/04/98/49/251049849.db2.gz OGIANPYCKMZCNO-LLVKDONJSA-N 1 0 334.298 1.982 20 5 EDBDRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000262365240 139273409 /nfs/dbraw/zinc/27/34/09/139273409.db2.gz HPOLPIHPZSQGLK-PBHICJAKSA-N 1 0 335.404 1.786 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000415578610 304230855 /nfs/dbraw/zinc/23/08/55/304230855.db2.gz PHYLCGRUFGLWKD-DTWKUNHWSA-N 1 0 340.767 1.382 20 5 EDBDRO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000418784100 251434094 /nfs/dbraw/zinc/43/40/94/251434094.db2.gz PESDWBZTBUMTND-OUCADQQQSA-N 1 0 348.403 1.276 20 5 EDBDRO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1C[NH2+]C[C@@H]1O ZINC000420347466 251690640 /nfs/dbraw/zinc/69/06/40/251690640.db2.gz GULRMMZPSNZEMB-KBPBESRZSA-N 1 0 332.360 1.057 20 5 EDBDRO CC1(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000420444347 251724391 /nfs/dbraw/zinc/72/43/91/251724391.db2.gz CNULZVDPVRQHGX-UHFFFAOYSA-N 1 0 327.406 1.199 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000262750127 139300946 /nfs/dbraw/zinc/30/09/46/139300946.db2.gz NBGJSQWYQRAXRY-LLVKDONJSA-N 1 0 327.406 1.435 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[NH2+]1 ZINC000262854586 139308176 /nfs/dbraw/zinc/30/81/76/139308176.db2.gz KMHVSWKEJMHLNG-YPMHNXCESA-N 1 0 329.360 1.651 20 5 EDBDRO [NH3+]C1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)C2CC3CC(C2)CC1C3 ZINC000424044135 252123549 /nfs/dbraw/zinc/12/35/49/252123549.db2.gz OAKPHUUUHOSQPV-UHFFFAOYSA-N 1 0 333.392 1.061 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000415651844 304247971 /nfs/dbraw/zinc/24/79/71/304247971.db2.gz CQSBCMGDJHMTSY-PWSUYJOCSA-N 1 0 334.376 1.407 20 5 EDBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420253584 285102166 /nfs/dbraw/zinc/10/21/66/285102166.db2.gz PWYNJMHCIBFOQK-CQSZACIVSA-N 1 0 327.388 1.627 20 5 EDBDRO COCCC[NH+]1CCC(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000263758178 139358326 /nfs/dbraw/zinc/35/83/26/139358326.db2.gz LACAOKQXUGALLJ-UHFFFAOYSA-N 1 0 335.404 1.754 20 5 EDBDRO CO[C@@H]1C[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1OC ZINC000488018081 255041184 /nfs/dbraw/zinc/04/11/84/255041184.db2.gz PUDKGGUWWTVYAM-HUUCEWRRSA-N 1 0 337.376 1.577 20 5 EDBDRO C[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)[N@@H+]1CCCC[C@@H]1C ZINC000490339887 255085287 /nfs/dbraw/zinc/08/52/87/255085287.db2.gz DAPHAFAFBILGSN-STQMWFEESA-N 1 0 338.412 1.353 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000415811694 304276808 /nfs/dbraw/zinc/27/68/08/304276808.db2.gz YXWIMKHIKVUDEM-LBPRGKRZSA-N 1 0 334.376 1.490 20 5 EDBDRO C[C@H]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000415842684 304280228 /nfs/dbraw/zinc/28/02/28/304280228.db2.gz HVKIFTKAKMVQHC-UWVGGRQHSA-N 1 0 338.339 1.116 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c1C ZINC000193409808 291995064 /nfs/dbraw/zinc/99/50/64/291995064.db2.gz YGJJEQKFJVKODE-ZANVPECISA-N 1 0 327.406 1.488 20 5 EDBDRO Cc1c(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000269210710 139894776 /nfs/dbraw/zinc/89/47/76/139894776.db2.gz NUADXKOGWMLSLH-QPUJVOFHSA-N 1 0 336.348 1.929 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3(CO)COC3)cs2)c1 ZINC000269527280 139948556 /nfs/dbraw/zinc/94/85/56/139948556.db2.gz ZHBXORWRQMIPIQ-UHFFFAOYSA-N 1 0 335.385 1.817 20 5 EDBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000269866867 140009061 /nfs/dbraw/zinc/00/90/61/140009061.db2.gz LTSQHLVXHLPXCG-HNNXBMFYSA-N 1 0 338.364 1.276 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270351201 140084090 /nfs/dbraw/zinc/08/40/90/140084090.db2.gz OMSKLBCNZCLFOB-BLLLJJGKSA-N 1 0 332.404 1.919 20 5 EDBDRO CS[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1[NH+](C)C ZINC000270406099 140094238 /nfs/dbraw/zinc/09/42/38/140094238.db2.gz ADJUAMPZKMRWQO-OLZOCXBDSA-N 1 0 349.416 1.589 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000271449932 140297437 /nfs/dbraw/zinc/29/74/37/140297437.db2.gz WYEYCYBEOXXDRA-JTQLQIEISA-N 1 0 347.462 1.980 20 5 EDBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000571859382 306575880 /nfs/dbraw/zinc/57/58/80/306575880.db2.gz KKDASTQAVYFBLW-UHFFFAOYSA-N 1 0 335.360 1.928 20 5 EDBDRO C[NH+]1CCC(C)(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000272472964 140463198 /nfs/dbraw/zinc/46/31/98/140463198.db2.gz ASCJSPWGYLKXJU-UHFFFAOYSA-N 1 0 339.367 1.961 20 5 EDBDRO COc1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)ccc1OCC[NH+](C)C ZINC000416333256 304310288 /nfs/dbraw/zinc/31/02/88/304310288.db2.gz KQEFQZMKNDOTOT-UHFFFAOYSA-N 1 0 349.347 1.519 20 5 EDBDRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000330372325 140842578 /nfs/dbraw/zinc/84/25/78/140842578.db2.gz KBFFRONTJPFOFM-NSHDSACASA-N 1 0 327.406 1.479 20 5 EDBDRO CS[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1[NH+]1CCCC1 ZINC000331387447 141015325 /nfs/dbraw/zinc/01/53/25/141015325.db2.gz ITIPJFSHTBSVPS-ZIAGYGMSSA-N 1 0 325.438 1.303 20 5 EDBDRO O=C(N1CCCC1)[C@]1(O)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000331655455 141062927 /nfs/dbraw/zinc/06/29/27/141062927.db2.gz LONAMLXIJZKVFR-SFHVURJKSA-N 1 0 347.415 1.587 20 5 EDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000332057090 141116188 /nfs/dbraw/zinc/11/61/88/141116188.db2.gz PATKBMNFKKUTBQ-GJZGRUSLSA-N 1 0 339.417 1.641 20 5 EDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000339739511 142140250 /nfs/dbraw/zinc/14/02/50/142140250.db2.gz RHLDBQBKCBFARR-CQSZACIVSA-N 1 0 333.388 1.779 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000340243650 142317735 /nfs/dbraw/zinc/31/77/35/142317735.db2.gz IKJHWNDFQJCJFI-UHFFFAOYSA-N 1 0 336.392 1.497 20 5 EDBDRO O=[N+]([O-])c1cc(C[NH2+]C(CO)CO)ccc1Oc1ccc(F)cc1 ZINC000344572651 142986492 /nfs/dbraw/zinc/98/64/92/142986492.db2.gz BUANONOMYKJNRV-UHFFFAOYSA-N 1 0 336.319 1.969 20 5 EDBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000344860011 143020601 /nfs/dbraw/zinc/02/06/01/143020601.db2.gz CKPLBCUADWKDCP-UHFFFAOYSA-N 1 0 346.391 1.589 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000345873706 143141996 /nfs/dbraw/zinc/14/19/96/143141996.db2.gz IFADKNSPOQVJQY-ZLKJLUDKSA-N 1 0 334.376 1.426 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000345889923 143143870 /nfs/dbraw/zinc/14/38/70/143143870.db2.gz YLDOWMAGJUFRJI-OUCADQQQSA-N 1 0 348.403 1.735 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](F)C[C@@H]1C(N)=O ZINC000346087549 143166215 /nfs/dbraw/zinc/16/62/15/143166215.db2.gz TWHOGZJOIIORIB-ZWNOBZJWSA-N 1 0 338.339 1.130 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346174323 143175067 /nfs/dbraw/zinc/17/50/67/143175067.db2.gz YDVPZCLERFKSHE-DMDPSCGWSA-N 1 0 335.408 1.439 20 5 EDBDRO O=C(CC[N@@H+]1CCN2C(=O)CC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000346451157 143206155 /nfs/dbraw/zinc/20/61/55/143206155.db2.gz JJMYZVROBRYYSE-AWEZNQCLSA-N 1 0 332.360 1.230 20 5 EDBDRO CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347895590 143376264 /nfs/dbraw/zinc/37/62/64/143376264.db2.gz OHRHHBIBQUTYHO-LBPRGKRZSA-N 1 0 329.360 1.780 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000348028491 143393305 /nfs/dbraw/zinc/39/33/05/143393305.db2.gz VRSQDRKWFZWGDP-CYBMUJFWSA-N 1 0 335.408 1.441 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC2(C[NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000355317473 292180829 /nfs/dbraw/zinc/18/08/29/292180829.db2.gz CPQUOJGOXQODJU-UHFFFAOYSA-N 1 0 327.406 1.666 20 5 EDBDRO C[C@H]1[C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000352955048 149228357 /nfs/dbraw/zinc/22/83/57/149228357.db2.gz UKGGBFVPMMAGBM-WCQYABFASA-N 1 0 327.406 1.497 20 5 EDBDRO C[C@@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000352996421 149245308 /nfs/dbraw/zinc/24/53/08/149245308.db2.gz GZNAHKUZIMNNID-WBMJQRKESA-N 1 0 348.403 1.375 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCn1cc(CO)nn1 ZINC000353197479 149321027 /nfs/dbraw/zinc/32/10/27/149321027.db2.gz WLAQVGKAPJPWAE-MDWZMJQESA-N 1 0 331.376 1.762 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1n1cc(CO)nn1 ZINC000355272770 150194690 /nfs/dbraw/zinc/19/46/90/150194690.db2.gz CRODSJZXKNTKEM-ZBFHGGJFSA-N 1 0 331.376 1.952 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000355317971 150214554 /nfs/dbraw/zinc/21/45/54/150214554.db2.gz KXXDDLHHPWRKGZ-HOTGVXAUSA-N 1 0 333.388 1.838 20 5 EDBDRO C[NH+](C)CC1(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000355320348 150215396 /nfs/dbraw/zinc/21/53/96/150215396.db2.gz GUWUJSDVCZZREU-UHFFFAOYSA-N 1 0 327.406 1.499 20 5 EDBDRO COC(=O)COc1ccc(CN2CC[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000355749617 150385405 /nfs/dbraw/zinc/38/54/05/150385405.db2.gz TZMMENRRBXIIDV-UHFFFAOYSA-N 1 0 337.376 1.330 20 5 EDBDRO COc1cc(C(=O)N[C@H](C[NH3+])C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000237271709 286203031 /nfs/dbraw/zinc/20/30/31/286203031.db2.gz JVHHKNOFHZPVGH-SECBINFHSA-N 1 0 345.302 1.672 20 5 EDBDRO COC[C@@]1(CNC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000573794330 306634353 /nfs/dbraw/zinc/63/43/53/306634353.db2.gz FUNHXXXBHOYHFS-INIZCTEOSA-N 1 0 337.376 1.031 20 5 EDBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CS(=O)(=O)CCO2)cccc1[N+](=O)[O-] ZINC000358297783 151330087 /nfs/dbraw/zinc/33/00/87/151330087.db2.gz JZVXTZBPTJZHAV-VXGBXAGGSA-N 1 0 328.390 1.367 20 5 EDBDRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000370094692 155321741 /nfs/dbraw/zinc/32/17/41/155321741.db2.gz OEENAOYSSMZXBV-XYYAHUGASA-N 1 0 325.390 1.379 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000360593732 152112713 /nfs/dbraw/zinc/11/27/13/152112713.db2.gz AAELSYJCVBXVAQ-LBPRGKRZSA-N 1 0 339.417 1.666 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000360722688 152169929 /nfs/dbraw/zinc/16/99/29/152169929.db2.gz UMVQDYRFLWNGMQ-YYIAUSFCSA-N 1 0 329.400 1.917 20 5 EDBDRO CC[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C[C@H](C)O ZINC000361265924 152349128 /nfs/dbraw/zinc/34/91/28/152349128.db2.gz LOHGHZHZLPBNRC-QWHCGFSZSA-N 1 0 347.419 1.748 20 5 EDBDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000361358349 152370678 /nfs/dbraw/zinc/37/06/78/152370678.db2.gz JZBLYWKSGKOXCU-OCVGTWLNSA-N 1 0 339.436 1.390 20 5 EDBDRO CCn1ccnc1CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CC12CC[NH2+]CC2 ZINC000370165276 155357633 /nfs/dbraw/zinc/35/76/33/155357633.db2.gz UYPFNTQGXJEIFC-MGPQQGTHSA-N 1 0 347.419 1.039 20 5 EDBDRO C[NH2+]CC1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000417181124 304381449 /nfs/dbraw/zinc/38/14/49/304381449.db2.gz HRUBIAPSQHRAMF-UHFFFAOYSA-N 1 0 336.392 1.744 20 5 EDBDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000363875490 153082737 /nfs/dbraw/zinc/08/27/37/153082737.db2.gz ZTDNLUSGJLPPFV-BPLDGKMQSA-N 1 0 348.403 1.609 20 5 EDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000417184608 304381840 /nfs/dbraw/zinc/38/18/40/304381840.db2.gz RIYFDGCOPULNPT-CQSZACIVSA-N 1 0 336.392 1.887 20 5 EDBDRO [NH3+][C@H]1CCC[C@@]12CCN(S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C2 ZINC000364260963 153189823 /nfs/dbraw/zinc/18/98/23/153189823.db2.gz SEKAHTHULRDVJU-GJZGRUSLSA-N 1 0 339.417 1.628 20 5 EDBDRO O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000364454871 153242838 /nfs/dbraw/zinc/24/28/38/153242838.db2.gz RQRQHFSMUDCBKG-IRXDYDNUSA-N 1 0 331.416 1.819 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000364675007 153300408 /nfs/dbraw/zinc/30/04/08/153300408.db2.gz RBMBJHVLGIORFP-QCEMKRCNSA-N 1 0 349.435 1.317 20 5 EDBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000365719481 153600014 /nfs/dbraw/zinc/60/00/14/153600014.db2.gz SDFHVBGZTGGBAJ-JGPRNRPPSA-N 1 0 345.808 1.891 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000367883167 154311145 /nfs/dbraw/zinc/31/11/45/154311145.db2.gz AWVUFJGNFFRJRH-WFASDCNBSA-N 1 0 339.417 1.748 20 5 EDBDRO C[N@@H+]1CC[C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)[C@H]1c1cccs1 ZINC000369572695 155094382 /nfs/dbraw/zinc/09/43/82/155094382.db2.gz BFUPYGFIMDZPPN-ABAIWWIYSA-N 1 0 349.416 1.662 20 5 EDBDRO CCOC(=O)C1(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000374650738 157355606 /nfs/dbraw/zinc/35/56/06/157355606.db2.gz YUNWDWKIGGKNGT-UHFFFAOYSA-N 1 0 349.387 1.661 20 5 EDBDRO Cc1nc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)ccc1[N+](=O)[O-] ZINC000378131878 158087759 /nfs/dbraw/zinc/08/77/59/158087759.db2.gz GTZFVSOUPXKYQH-OAHLLOKOSA-N 1 0 333.436 1.903 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000378450307 158177994 /nfs/dbraw/zinc/17/79/94/158177994.db2.gz OWFHKSAMLDCPLI-SWLSCSKDSA-N 1 0 346.387 1.394 20 5 EDBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nncn1C ZINC000352467664 162197554 /nfs/dbraw/zinc/19/75/54/162197554.db2.gz MFVLPBGTIOCRMQ-UKRRQHHQSA-N 1 0 349.391 1.450 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000418081161 304455507 /nfs/dbraw/zinc/45/55/07/304455507.db2.gz FHHJIVOXCWJUJP-CMPLNLGQSA-N 1 0 344.375 1.365 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]12 ZINC000418086564 304456601 /nfs/dbraw/zinc/45/66/01/304456601.db2.gz YXXSSQFAGNDOQW-ZMLRMANQSA-N 1 0 344.375 1.350 20 5 EDBDRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000068499213 287249771 /nfs/dbraw/zinc/24/97/71/287249771.db2.gz LIDOVKJQFYNQDD-UHFFFAOYSA-N 1 0 348.403 1.125 20 5 EDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(C)(C)CN1CCOCC1 ZINC000124093400 287394267 /nfs/dbraw/zinc/39/42/67/287394267.db2.gz GDUHECBLVZTXQC-UHFFFAOYSA-N 1 0 325.413 1.082 20 5 EDBDRO C[NH+](C)C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000273470045 268045868 /nfs/dbraw/zinc/04/58/68/268045868.db2.gz OLAOERUXHROENG-NSHDSACASA-N 1 0 326.328 1.528 20 5 EDBDRO CN(CC[N@H+](C)C1CC1)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000274614391 268168805 /nfs/dbraw/zinc/16/88/05/268168805.db2.gz XWBBOSGNJLBTOI-UHFFFAOYSA-N 1 0 335.360 1.339 20 5 EDBDRO CNC(=O)c1ccn([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000275353156 268328416 /nfs/dbraw/zinc/32/84/16/268328416.db2.gz AEEVOMPZZRBQNR-OAHLLOKOSA-N 1 0 343.387 1.988 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000273743574 273052015 /nfs/dbraw/zinc/05/20/15/273052015.db2.gz VXTXVILWWBMMRH-SWLSCSKDSA-N 1 0 339.417 1.451 20 5 EDBDRO COCCO[C@@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000275596053 273112200 /nfs/dbraw/zinc/11/22/00/273112200.db2.gz RBDJTQMNKNFZHD-CQSZACIVSA-N 1 0 340.376 1.720 20 5 EDBDRO O=C(NCC[NH+]1CCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000072937465 272915419 /nfs/dbraw/zinc/91/54/19/272915419.db2.gz RXXABWNGDMXIQG-UHFFFAOYSA-N 1 0 330.348 1.001 20 5 EDBDRO CC[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C[C@@H](C)O ZINC000277903263 273233206 /nfs/dbraw/zinc/23/32/06/273233206.db2.gz RMDSUTXWKJWQOQ-NEPJUHHUSA-N 1 0 333.392 1.753 20 5 EDBDRO CC(C)n1nccc1C[NH2+][C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000280755627 273394577 /nfs/dbraw/zinc/39/45/77/273394577.db2.gz DCFCVLBYNOQUFZ-CVEARBPZSA-N 1 0 334.376 1.556 20 5 EDBDRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000281691436 273513840 /nfs/dbraw/zinc/51/38/40/273513840.db2.gz YZTGVKWHGWJUNW-UHFFFAOYSA-N 1 0 327.406 1.701 20 5 EDBDRO O=C1CC[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C2(CCC2)N1 ZINC000282730695 273708675 /nfs/dbraw/zinc/70/86/75/273708675.db2.gz IICHHUQQTXDKOZ-SWLSCSKDSA-N 1 0 349.387 1.125 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000360002873 273771300 /nfs/dbraw/zinc/77/13/00/273771300.db2.gz SWDGEQORXPZVSZ-CYBMUJFWSA-N 1 0 327.406 1.515 20 5 EDBDRO C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284014160 274047868 /nfs/dbraw/zinc/04/78/68/274047868.db2.gz ILJAXVVGVIOXPH-GFCCVEGCSA-N 1 0 349.435 1.380 20 5 EDBDRO COC[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)OC ZINC000358431133 274048729 /nfs/dbraw/zinc/04/87/29/274048729.db2.gz ILBUYQQUTYGZLY-RISCZKNCSA-N 1 0 325.365 1.563 20 5 EDBDRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000136655512 274050414 /nfs/dbraw/zinc/05/04/14/274050414.db2.gz IONLCHAOIZCZOZ-HZMBPMFUSA-N 1 0 337.376 1.945 20 5 EDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[N@H+](C)Cc1ccccc1 ZINC000111631033 274223680 /nfs/dbraw/zinc/22/36/80/274223680.db2.gz BIHOBMKEYKIHRD-LBPRGKRZSA-N 1 0 344.371 1.946 20 5 EDBDRO C[C@@H](CO)[N@@H+]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000364958017 274227368 /nfs/dbraw/zinc/22/73/68/274227368.db2.gz YJXRWFGMVBWAFL-LBPRGKRZSA-N 1 0 348.403 1.372 20 5 EDBDRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC(=O)N1C ZINC000284617535 274266053 /nfs/dbraw/zinc/26/60/53/274266053.db2.gz BPDUQXCMWQSQQT-MLGOLLRUSA-N 1 0 329.360 1.390 20 5 EDBDRO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000284660038 274283124 /nfs/dbraw/zinc/28/31/24/274283124.db2.gz QBRPHFXDQNTGDC-CABCVRRESA-N 1 0 347.375 1.862 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000262806042 274377246 /nfs/dbraw/zinc/37/72/46/274377246.db2.gz OKMZBIFYRCTKEB-RISCZKNCSA-N 1 0 329.360 1.508 20 5 EDBDRO C[C@@H]1[NH2+]CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000262866235 274420509 /nfs/dbraw/zinc/42/05/09/274420509.db2.gz UOISUUWITKVDJB-UWVGGRQHSA-N 1 0 330.344 1.671 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415856091 274763185 /nfs/dbraw/zinc/76/31/85/274763185.db2.gz ZIBPWBQOLDGIME-JQWIXIFHSA-N 1 0 334.376 1.285 20 5 EDBDRO CC(C)(C)c1ccc(C(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000374512687 275535208 /nfs/dbraw/zinc/53/52/08/275535208.db2.gz HMKGXKRKYUXWSU-CABCVRRESA-N 1 0 333.388 1.705 20 5 EDBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cccc21 ZINC000355515327 276875178 /nfs/dbraw/zinc/87/51/78/276875178.db2.gz YDUOYTAMHRYXBD-LBPRGKRZSA-N 1 0 331.332 1.955 20 5 EDBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000286092503 287933237 /nfs/dbraw/zinc/93/32/37/287933237.db2.gz DOGPQUOZRUORLS-UHFFFAOYSA-N 1 0 337.424 1.975 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000261973958 277279911 /nfs/dbraw/zinc/27/99/11/277279911.db2.gz FEUDUDIPHWGIKG-LBPRGKRZSA-N 1 0 329.360 1.462 20 5 EDBDRO C[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000357884000 278243546 /nfs/dbraw/zinc/24/35/46/278243546.db2.gz YJUNJMPNRGKRLA-ZDUSSCGKSA-N 1 0 347.419 1.956 20 5 EDBDRO C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000372045216 278373010 /nfs/dbraw/zinc/37/30/10/278373010.db2.gz ATEHRFRQJBRSJT-NVXWUHKLSA-N 1 0 348.447 1.652 20 5 EDBDRO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC000376562004 278638550 /nfs/dbraw/zinc/63/85/50/278638550.db2.gz KRJZXCYXJVWHAL-DGCLKSJQSA-N 1 0 334.376 1.703 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000286738317 288074608 /nfs/dbraw/zinc/07/46/08/288074608.db2.gz KMMXZLSYJQJUKX-LBPRGKRZSA-N 1 0 338.795 1.368 20 5 EDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1 ZINC000286877834 288110384 /nfs/dbraw/zinc/11/03/84/288110384.db2.gz XLXXETPHDGBPAO-LYRGGWFBSA-N 1 0 343.387 1.590 20 5 EDBDRO C[C@H]([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000158229444 279392360 /nfs/dbraw/zinc/39/23/60/279392360.db2.gz BUIWEVRPQDSLKQ-VIFPVBQESA-N 1 0 346.309 1.609 20 5 EDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000286973175 288128366 /nfs/dbraw/zinc/12/83/66/288128366.db2.gz PNOGWODZDYLWPE-PMPSAXMXSA-N 1 0 349.431 1.893 20 5 EDBDRO CC1CCN(c2ccc(C(=O)NCC3C[NH2+]C3)cc2[N+](=O)[O-])CC1 ZINC000261926164 281839005 /nfs/dbraw/zinc/83/90/05/281839005.db2.gz BDUSBXCJAQWGLR-UHFFFAOYSA-N 1 0 332.404 1.780 20 5 EDBDRO Cc1c(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000291734831 289165399 /nfs/dbraw/zinc/16/53/99/289165399.db2.gz ADKXFNAABSVOHO-ZWNOBZJWSA-N 1 0 334.332 1.635 20 5 EDBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292231293 289295169 /nfs/dbraw/zinc/29/51/69/289295169.db2.gz IXARIFDOAJMGHK-CYBMUJFWSA-N 1 0 349.435 1.375 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc([N+](=O)[O-])c1OC ZINC000292299292 289310087 /nfs/dbraw/zinc/31/00/87/289310087.db2.gz RXJVVOOTHKSPMA-QGZVFWFLSA-N 1 0 349.387 1.780 20 5 EDBDRO Cc1cc(N2C[C@H](O)[C@@H]([NH+](C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000292438959 289347373 /nfs/dbraw/zinc/34/73/73/289347373.db2.gz VORJBPVWPDXFDH-GJZGRUSLSA-N 1 0 343.387 1.471 20 5 EDBDRO COc1cc(CN2CC[C@@H]([N@H+](C)CCO)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000292482422 289359448 /nfs/dbraw/zinc/35/94/48/289359448.db2.gz SEEOXWQNFDWUJK-BXUZGUMPSA-N 1 0 341.383 1.629 20 5 EDBDRO C[C@@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000292486556 289360829 /nfs/dbraw/zinc/36/08/29/289360829.db2.gz CEJYFTCBERZWTE-LBPRGKRZSA-N 1 0 329.422 1.254 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000261840046 295028153 /nfs/dbraw/zinc/02/81/53/295028153.db2.gz YMYIKUAKYYGYCA-CMPLNLGQSA-N 1 0 343.405 1.494 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000419147680 304571606 /nfs/dbraw/zinc/57/16/06/304571606.db2.gz JGLFZHYHLHNTHH-MBNYWOFBSA-N 1 0 348.403 1.500 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000447245674 298982289 /nfs/dbraw/zinc/98/22/89/298982289.db2.gz FGIWVPKAQDEOLL-DTWKUNHWSA-N 1 0 333.797 1.606 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000262333996 301426442 /nfs/dbraw/zinc/42/64/42/301426442.db2.gz STIIJYPUEQKGMK-NEPJUHHUSA-N 1 0 327.406 1.569 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)c1C ZINC000374179071 301861016 /nfs/dbraw/zinc/86/10/16/301861016.db2.gz QKGNGSWNKJOUKY-LBPRGKRZSA-N 1 0 327.406 1.632 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000171041705 302734394 /nfs/dbraw/zinc/73/43/94/302734394.db2.gz MKXAJDYBCJMXMP-ZDUSSCGKSA-N 1 0 335.408 1.727 20 5 EDBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293508049 302976975 /nfs/dbraw/zinc/97/69/75/302976975.db2.gz SVZUACYMORCSDC-ZIAGYGMSSA-N 1 0 341.371 1.605 20 5 EDBDRO COc1cc(C(=O)NC[C@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000293737124 303011905 /nfs/dbraw/zinc/01/19/05/303011905.db2.gz LARGJQIMDNVYEJ-JTQLQIEISA-N 1 0 325.365 1.540 20 5 EDBDRO C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+](C2CCC2)C1 ZINC000293760849 303014445 /nfs/dbraw/zinc/01/44/45/303014445.db2.gz UGVBVWGVICVVSA-CYBMUJFWSA-N 1 0 348.403 1.089 20 5 EDBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCCCn1ccnc1 ZINC000294232362 303080791 /nfs/dbraw/zinc/08/07/91/303080791.db2.gz MIWAEABDIKNCGO-UHFFFAOYSA-N 1 0 330.344 1.961 20 5 EDBDRO C[C@@H]([NH2+]C1CC1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000294971391 303158320 /nfs/dbraw/zinc/15/83/20/303158320.db2.gz GLNZLOVDIIJHLG-GFCCVEGCSA-N 1 0 346.387 1.020 20 5 EDBDRO O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CCC[N@@H+](CCCO)C3)cc2N1 ZINC000295008071 303162149 /nfs/dbraw/zinc/16/21/49/303162149.db2.gz SFGKKFONUJGDOC-ZDUSSCGKSA-N 1 0 348.403 1.738 20 5 EDBDRO CN(C)CC(=O)Nc1ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc1 ZINC000295366805 303209834 /nfs/dbraw/zinc/20/98/34/303209834.db2.gz RMNAWFQYZSVHMA-UHFFFAOYSA-N 1 0 336.392 1.961 20 5 EDBDRO CC1(C)[C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]2CCO[C@H]21 ZINC000296049852 303292435 /nfs/dbraw/zinc/29/24/35/303292435.db2.gz FSFGGRRTAQSLBQ-IAOVAPTHSA-N 1 0 345.399 1.887 20 5 EDBDRO O=C(NCC1CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000297304107 303383430 /nfs/dbraw/zinc/38/34/30/303383430.db2.gz VRTVAUYODDTOLP-UHFFFAOYSA-N 1 0 332.404 1.924 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@H]12 ZINC000248591898 303472115 /nfs/dbraw/zinc/47/21/15/303472115.db2.gz HFYUSLHVCJEYHG-WCABBAIRSA-N 1 0 345.808 1.606 20 5 EDBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000299720832 303654395 /nfs/dbraw/zinc/65/43/95/303654395.db2.gz ZLJIERXIYXTMFS-GJZGRUSLSA-N 1 0 333.436 1.985 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000365504604 303655963 /nfs/dbraw/zinc/65/59/63/303655963.db2.gz XMVVGMORSJJNFM-DOTOQJQBSA-N 1 0 347.415 1.754 20 5 EDBDRO COc1ccc(NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)cc1[N+](=O)[O-] ZINC000423727768 304906336 /nfs/dbraw/zinc/90/63/36/304906336.db2.gz SCFLGYMQRVMPAM-VIFPVBQESA-N 1 0 331.332 1.656 20 5 EDBDRO CS[C@@H]1CC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000424612333 304934686 /nfs/dbraw/zinc/93/46/86/304934686.db2.gz FTBHWQKLYBCQSZ-CHWSQXEVSA-N 1 0 330.431 1.852 20 5 EDBDRO COc1cc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1OC ZINC000428975946 305021468 /nfs/dbraw/zinc/02/14/68/305021468.db2.gz KNQHBXVEGJAYRA-MNOVXSKESA-N 1 0 337.376 1.730 20 5 EDBDRO C[C@@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000428981903 305021527 /nfs/dbraw/zinc/02/15/27/305021527.db2.gz RSMNSAPIGIGPLZ-VXGBXAGGSA-N 1 0 349.387 1.413 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC(C[NH3+])CC1 ZINC000430615656 305059127 /nfs/dbraw/zinc/05/91/27/305059127.db2.gz CXOOZKKFXBXFQS-NSHDSACASA-N 1 0 336.392 1.601 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(C[NH3+])CC1 ZINC000430615655 305059141 /nfs/dbraw/zinc/05/91/41/305059141.db2.gz CXOOZKKFXBXFQS-LLVKDONJSA-N 1 0 336.392 1.601 20 5 EDBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430639386 305060709 /nfs/dbraw/zinc/06/07/09/305060709.db2.gz HXNKUOJXWFUDNS-LLVKDONJSA-N 1 0 347.375 1.023 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[C@@H](C[NH2+]C)C2)c([N+](=O)[O-])c1 ZINC000430968076 305071677 /nfs/dbraw/zinc/07/16/77/305071677.db2.gz WSJXJMLRDWPBNN-LBPRGKRZSA-N 1 0 336.392 1.473 20 5 EDBDRO O=C(c1ncn([C@@H]2CCC[NH2+]C2)n1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000433396044 305107761 /nfs/dbraw/zinc/10/77/61/305107761.db2.gz UVORTEQDUIAQSZ-CYBMUJFWSA-N 1 0 342.359 1.314 20 5 EDBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(NCCF)c([N+](=O)[O-])c1 ZINC000435584584 305142965 /nfs/dbraw/zinc/14/29/65/305142965.db2.gz PGFNTQURADGQRZ-UHFFFAOYSA-N 1 0 348.400 1.206 20 5 EDBDRO [NH3+][C@H]1CCc2ncc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2C1 ZINC000436729895 305166736 /nfs/dbraw/zinc/16/67/36/305166736.db2.gz ILRAXPSHUFBEHQ-NSHDSACASA-N 1 0 328.328 1.764 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000439586364 305200391 /nfs/dbraw/zinc/20/03/91/305200391.db2.gz IBDDUGZSUDDSPY-AWEZNQCLSA-N 1 0 346.387 1.537 20 5 EDBDRO COc1cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000440414507 305206136 /nfs/dbraw/zinc/20/61/36/305206136.db2.gz ZKZNRFJIZNZCFR-ZWNOBZJWSA-N 1 0 343.405 1.351 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000440436161 305206722 /nfs/dbraw/zinc/20/67/22/305206722.db2.gz FOHVHQDKNGFVHI-NSHDSACASA-N 1 0 345.808 1.763 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c1[N+](=O)[O-] ZINC000440839183 305213279 /nfs/dbraw/zinc/21/32/79/305213279.db2.gz AMLKEYXOWWWRCO-RYUDHWBXSA-N 1 0 327.406 1.569 20 5 EDBDRO C[C@H](O)C[N@H+](C)C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000444351456 305246609 /nfs/dbraw/zinc/24/66/09/305246609.db2.gz JVLANNGAPHYWCM-AWEZNQCLSA-N 1 0 349.431 1.831 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CC1(O)CCOCC1 ZINC000444750188 305251901 /nfs/dbraw/zinc/25/19/01/305251901.db2.gz YWLKOVGUPIKIIL-UHFFFAOYSA-N 1 0 337.376 1.315 20 5 EDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000447255037 305276396 /nfs/dbraw/zinc/27/63/96/305276396.db2.gz ISCKUVILCWTGJW-BDAKNGLRSA-N 1 0 333.797 1.606 20 5 EDBDRO COCC(=O)N1CCC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449133370 305307350 /nfs/dbraw/zinc/30/73/50/305307350.db2.gz YCDRRQDVGZBNKB-ZDUSSCGKSA-N 1 0 335.404 1.753 20 5 EDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000449318541 305311246 /nfs/dbraw/zinc/31/12/46/305311246.db2.gz HAFKRZSAUJJOIN-FFLHNBHYSA-N 1 0 346.387 1.636 20 5 EDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449696035 305317279 /nfs/dbraw/zinc/31/72/79/305317279.db2.gz GVNFNMDPVYHSRN-OAHLLOKOSA-N 1 0 343.387 1.898 20 5 EDBDRO NS(=O)(=O)CCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546750 305352475 /nfs/dbraw/zinc/35/24/75/305352475.db2.gz JQMITLSPVRSZIJ-ZDUSSCGKSA-N 1 0 327.406 1.453 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452371564 305394121 /nfs/dbraw/zinc/39/41/21/305394121.db2.gz ARZMHAPEMDNDIA-GFCCVEGCSA-N 1 0 337.376 1.180 20 5 EDBDRO C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000494913998 305633676 /nfs/dbraw/zinc/63/36/76/305633676.db2.gz CSUQKQSRYDIQGH-GYSYKLTISA-N 1 0 327.406 1.507 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000520582300 305780609 /nfs/dbraw/zinc/78/06/09/305780609.db2.gz ZWYVVHGDQOHAEO-NSHDSACASA-N 1 0 329.422 1.953 20 5 EDBDRO COC(=O)COc1ccc(CNC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414932264 447362833 /nfs/dbraw/zinc/36/28/33/447362833.db2.gz CQPALBXXWRSFCX-UHFFFAOYSA-N 1 0 337.376 1.378 20 5 EDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@@H]1C ZINC000535747806 306016269 /nfs/dbraw/zinc/01/62/69/306016269.db2.gz PHHWQJYGVHDOAA-NWDGAFQWSA-N 1 0 349.387 1.921 20 5 EDBDRO C[C@@H](CCNC(=O)c1c[nH]nc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000548955662 306142693 /nfs/dbraw/zinc/14/26/93/306142693.db2.gz MYDDLDYUJSBLER-LBPRGKRZSA-N 1 0 331.376 1.958 20 5 EDBDRO CN(C)C1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCCC1 ZINC000555903259 306207268 /nfs/dbraw/zinc/20/72/68/306207268.db2.gz HAJXSBIHZMBTSC-HNNXBMFYSA-N 1 0 339.440 1.396 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc([N+](=O)[O-])c1 ZINC000058298710 441174933 /nfs/dbraw/zinc/17/49/33/441174933.db2.gz IDVLEPQRVKPXFN-LSDHHAIUSA-N 1 0 347.371 1.738 20 5 EDBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000058299213 441175419 /nfs/dbraw/zinc/17/54/19/441175419.db2.gz FPVFJBFCZYSLJG-KBPBESRZSA-N 1 0 334.332 1.860 20 5 EDBDRO CC(C)[NH+]1CCC(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000017281362 441239919 /nfs/dbraw/zinc/23/99/19/441239919.db2.gz NBVLJWBRARKJQL-UHFFFAOYSA-N 1 0 342.421 1.527 20 5 EDBDRO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000104747670 441203501 /nfs/dbraw/zinc/20/35/01/441203501.db2.gz WTAFVKLJUGXSGC-SNVBAGLBSA-N 1 0 347.824 1.820 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000080941587 441210050 /nfs/dbraw/zinc/21/00/50/441210050.db2.gz NJBNABGYWXVYNK-UHFFFAOYSA-N 1 0 335.408 1.577 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000060470291 441244818 /nfs/dbraw/zinc/24/48/18/441244818.db2.gz OMFWFSLBSXHSQC-SNVBAGLBSA-N 1 0 335.360 1.579 20 5 EDBDRO CCC[NH+]1CCC(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1 ZINC000061031000 441263914 /nfs/dbraw/zinc/26/39/14/441263914.db2.gz QONHXDRDKBOCES-UHFFFAOYSA-N 1 0 349.387 1.986 20 5 EDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000063523716 441335752 /nfs/dbraw/zinc/33/57/52/441335752.db2.gz YBBZFPXNBLUVSF-CQSZACIVSA-N 1 0 346.339 1.853 20 5 EDBDRO C[C@@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000064860687 441394846 /nfs/dbraw/zinc/39/48/46/441394846.db2.gz GKPVQEDMJVTRIF-NSHDSACASA-N 1 0 331.376 1.675 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000065867951 441491169 /nfs/dbraw/zinc/49/11/69/441491169.db2.gz FKGMRHBPKJFCLK-UHFFFAOYSA-N 1 0 337.424 1.728 20 5 EDBDRO CC[NH+]1CCC(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000031264191 441519926 /nfs/dbraw/zinc/51/99/26/441519926.db2.gz KVPUQMALAQEFEW-UHFFFAOYSA-N 1 0 343.387 1.995 20 5 EDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000066641874 441556914 /nfs/dbraw/zinc/55/69/14/441556914.db2.gz CSPXKUQMQQTWSL-GFCCVEGCSA-N 1 0 349.387 1.828 20 5 EDBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000067118768 441606139 /nfs/dbraw/zinc/60/61/39/441606139.db2.gz FFFMVCPBFYWKLR-LBPRGKRZSA-N 1 0 329.422 1.912 20 5 EDBDRO O=C(NCC[NH+]1CCCCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067137325 441609255 /nfs/dbraw/zinc/60/92/55/441609255.db2.gz IVJJDGLBAVKHRX-UHFFFAOYSA-N 1 0 344.375 1.391 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000067140180 441609313 /nfs/dbraw/zinc/60/93/13/441609313.db2.gz ZXDSVNNZBMLBBL-HNNXBMFYSA-N 1 0 335.404 1.990 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000067285018 441625126 /nfs/dbraw/zinc/62/51/26/441625126.db2.gz KODYNOHLHVNQTQ-GFCCVEGCSA-N 1 0 337.405 1.662 20 5 EDBDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000090448870 441629872 /nfs/dbraw/zinc/62/98/72/441629872.db2.gz JINQSMIDYMIAHB-BXUZGUMPSA-N 1 0 334.376 1.522 20 5 EDBDRO COC(=O)[C@@H](C)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000114062892 441632895 /nfs/dbraw/zinc/63/28/95/441632895.db2.gz YYIWKZUKNFKYGM-LBPRGKRZSA-N 1 0 337.376 1.973 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000055265431 441635378 /nfs/dbraw/zinc/63/53/78/441635378.db2.gz RXBFPBDAHKHHIE-LBPRGKRZSA-N 1 0 327.406 1.605 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000055265494 441636385 /nfs/dbraw/zinc/63/63/85/441636385.db2.gz JQSSFXXFEQFLKW-LBPRGKRZSA-N 1 0 327.406 1.605 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000114199994 441641559 /nfs/dbraw/zinc/64/15/59/441641559.db2.gz VRGHKZPVFJEZKO-GFCCVEGCSA-N 1 0 336.392 1.425 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000114210642 441641896 /nfs/dbraw/zinc/64/18/96/441641896.db2.gz JCFQSBACTRFMKY-LLVKDONJSA-N 1 0 343.405 1.176 20 5 EDBDRO C[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH+](C)CC1 ZINC000114384132 441652628 /nfs/dbraw/zinc/65/26/28/441652628.db2.gz XLHSLRFSDLWSIM-GFCCVEGCSA-N 1 0 345.403 1.442 20 5 EDBDRO CC[NH+]1CCC(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000067682762 441666559 /nfs/dbraw/zinc/66/65/59/441666559.db2.gz TWNXBENEZKFRCI-UHFFFAOYSA-N 1 0 331.376 1.933 20 5 EDBDRO CC(C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C)CC1 ZINC000042583108 441754203 /nfs/dbraw/zinc/75/42/03/441754203.db2.gz QBJREOCHXXUUMD-MRXNPFEDSA-N 1 0 334.420 1.597 20 5 EDBDRO CNS(=O)(=O)c1ccc(NC[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000140024536 441832163 /nfs/dbraw/zinc/83/21/63/441832163.db2.gz LKWNCZDYCZPKOP-SNVBAGLBSA-N 1 0 328.394 1.009 20 5 EDBDRO CC(C)([NH3+])CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000159968731 441850992 /nfs/dbraw/zinc/85/09/92/441850992.db2.gz OSOQWIJREVEPKK-SECBINFHSA-N 1 0 340.405 1.114 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC000124049771 441906973 /nfs/dbraw/zinc/90/69/73/441906973.db2.gz MTISBDRGEURGFZ-AWEZNQCLSA-N 1 0 335.408 1.653 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000125230609 441999722 /nfs/dbraw/zinc/99/97/22/441999722.db2.gz JIOSAQOKNAJPQE-VHSXEESVSA-N 1 0 329.378 1.152 20 5 EDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[NH+](CC2CC2)CC1 ZINC000079004834 442007190 /nfs/dbraw/zinc/00/71/90/442007190.db2.gz WEOWHICQYDNRCL-UHFFFAOYSA-N 1 0 333.388 1.918 20 5 EDBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000162409262 442091894 /nfs/dbraw/zinc/09/18/94/442091894.db2.gz NGUFRRGGKJXSPF-ZDUSSCGKSA-N 1 0 338.433 1.395 20 5 EDBDRO O=C(NCC[NH2+]C1CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000151497448 442073181 /nfs/dbraw/zinc/07/31/81/442073181.db2.gz LKZFTDHHCOFCHD-UHFFFAOYSA-N 1 0 328.166 1.839 20 5 EDBDRO COc1cc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000151628207 442095607 /nfs/dbraw/zinc/09/56/07/442095607.db2.gz HSNMXVDYEFPENU-HNNXBMFYSA-N 1 0 348.403 1.346 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000151851276 442129169 /nfs/dbraw/zinc/12/91/69/442129169.db2.gz KHAJFQBGDGYITK-AAEUAGOBSA-N 1 0 346.387 1.583 20 5 EDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000120585777 442099307 /nfs/dbraw/zinc/09/93/07/442099307.db2.gz TUSZBEBWELTQLP-AWEZNQCLSA-N 1 0 332.404 1.921 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000154336433 442333308 /nfs/dbraw/zinc/33/33/08/442333308.db2.gz PCAYHXKWXBNCBT-CQSZACIVSA-N 1 0 325.390 1.277 20 5 EDBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000171505042 442353293 /nfs/dbraw/zinc/35/32/93/442353293.db2.gz AJJXGKMGXOMQRC-AWEZNQCLSA-N 1 0 327.406 1.499 20 5 EDBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000171504960 442353591 /nfs/dbraw/zinc/35/35/91/442353591.db2.gz WMSJSBMEEFNQRS-GFCCVEGCSA-N 1 0 343.405 1.366 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC1CC[NH+](C)CC1 ZINC000171651339 442366419 /nfs/dbraw/zinc/36/64/19/442366419.db2.gz YONAHQYZUNHKGM-UHFFFAOYSA-N 1 0 336.392 1.744 20 5 EDBDRO NC(=O)c1ccc(CN2CCC[C@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000171706735 442372020 /nfs/dbraw/zinc/37/20/20/442372020.db2.gz WSGFZUFOWICELK-HNNXBMFYSA-N 1 0 332.404 1.754 20 5 EDBDRO O=C(CC[N@H+]1CCC[C@@H](OCCO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000172298251 442438208 /nfs/dbraw/zinc/43/82/08/442438208.db2.gz CWVQMIHEPZQBDM-OAHLLOKOSA-N 1 0 337.376 1.397 20 5 EDBDRO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178657179 442453072 /nfs/dbraw/zinc/45/30/72/442453072.db2.gz YBVVETLETNZQAD-NHYWBVRUSA-N 1 0 329.360 1.784 20 5 EDBDRO CC(C)(CC(N)=O)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000186211178 442487747 /nfs/dbraw/zinc/48/77/47/442487747.db2.gz HOGQCFKVMGLGGW-UHFFFAOYSA-N 1 0 328.756 1.430 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000191718413 442496136 /nfs/dbraw/zinc/49/61/36/442496136.db2.gz OLUUTIYVTWFZRI-UHFFFAOYSA-N 1 0 348.403 1.361 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[NH2+]2)cc1SC ZINC000178731423 442466584 /nfs/dbraw/zinc/46/65/84/442466584.db2.gz VKUMZINRLZUVPT-VIFPVBQESA-N 1 0 325.390 1.807 20 5 EDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CC2CCOCC2)CC1 ZINC000172463975 442468324 /nfs/dbraw/zinc/46/83/24/442468324.db2.gz ISBFJZGLQWVPBN-UHFFFAOYSA-N 1 0 333.388 1.779 20 5 EDBDRO C[N@@H+]1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000180189183 442556336 /nfs/dbraw/zinc/55/63/36/442556336.db2.gz SDIULMZODGFRPN-HOCLYGCPSA-N 1 0 329.360 1.353 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3nnc(C4CC4)[nH]3)C2)nc1 ZINC000180431693 442601284 /nfs/dbraw/zinc/60/12/84/442601284.db2.gz GQEQRBRUIZVQAS-LLVKDONJSA-N 1 0 329.364 1.672 20 5 EDBDRO COc1cc(C(=O)N(C)CC[N@H+](C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000186734131 442604174 /nfs/dbraw/zinc/60/41/74/442604174.db2.gz NJXQUQBYVDWGTG-UHFFFAOYSA-N 1 0 337.376 1.778 20 5 EDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]2C1 ZINC000192490006 442653437 /nfs/dbraw/zinc/65/34/37/442653437.db2.gz FSCPUWCUKZCYHM-AOOOYVTPSA-N 1 0 341.314 1.830 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)c2ncccc12 ZINC000193232911 442724821 /nfs/dbraw/zinc/72/48/21/442724821.db2.gz YQCVSIHISRJODB-SNVBAGLBSA-N 1 0 336.373 1.173 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000193268028 442727743 /nfs/dbraw/zinc/72/77/43/442727743.db2.gz NMHGEKDTVHHMEK-LBPRGKRZSA-N 1 0 327.406 1.442 20 5 EDBDRO NC(=O)C1([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000182198350 442744706 /nfs/dbraw/zinc/74/47/06/442744706.db2.gz RPPCKOHQAOKEAQ-GFCCVEGCSA-N 1 0 337.376 1.112 20 5 EDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1(C(N)=O)CCCC1 ZINC000182260810 442751295 /nfs/dbraw/zinc/75/12/95/442751295.db2.gz OSVXZIYUXKKFEH-LBPRGKRZSA-N 1 0 337.376 1.064 20 5 EDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000193633373 442761957 /nfs/dbraw/zinc/76/19/57/442761957.db2.gz HPGJYTWIVRZBDT-ZYHUDNBSSA-N 1 0 330.348 1.046 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193707639 442770579 /nfs/dbraw/zinc/77/05/79/442770579.db2.gz MFZHYZYWULEXAR-UHFFFAOYSA-N 1 0 346.387 1.524 20 5 EDBDRO COc1cccc2c1CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000193729802 442775193 /nfs/dbraw/zinc/77/51/93/442775193.db2.gz QZDVPVKMNUSKQN-UHFFFAOYSA-N 1 0 343.383 1.866 20 5 EDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000194700605 442939847 /nfs/dbraw/zinc/93/98/47/442939847.db2.gz DKQCTZZRQNDPRJ-AWEZNQCLSA-N 1 0 329.360 1.605 20 5 EDBDRO C[C@H](C(=O)NCC[N@@H+]1CCCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000189415414 442946237 /nfs/dbraw/zinc/94/62/37/442946237.db2.gz HLPKRFGNMITZRD-LBPRGKRZSA-N 1 0 339.367 1.676 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000249212560 442959981 /nfs/dbraw/zinc/95/99/81/442959981.db2.gz SRCBIWLCUCVRAU-IUODEOHRSA-N 1 0 348.403 1.640 20 5 EDBDRO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000189944065 443033709 /nfs/dbraw/zinc/03/37/09/443033709.db2.gz ODFNPKSBAUSWQL-CQSZACIVSA-N 1 0 337.420 1.751 20 5 EDBDRO COC(=O)c1cc(C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000266165343 443042039 /nfs/dbraw/zinc/04/20/39/443042039.db2.gz JIPUQWHLKZLKLV-HZMBPMFUSA-N 1 0 335.360 1.404 20 5 EDBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000268681567 443075612 /nfs/dbraw/zinc/07/56/12/443075612.db2.gz PLVORRVNFGQDEE-UHFFFAOYSA-N 1 0 341.795 1.825 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000184828967 443083315 /nfs/dbraw/zinc/08/33/15/443083315.db2.gz BJBUEJMFNSUEBS-UONOGXRCSA-N 1 0 348.403 1.866 20 5 EDBDRO Cc1c([C@@H](C)[NH2+]CCCN2CCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000268897877 443140981 /nfs/dbraw/zinc/14/09/81/443140981.db2.gz KNWUJXNKLGSALI-CZUORRHYSA-N 1 0 334.420 1.894 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000266341659 443102225 /nfs/dbraw/zinc/10/22/25/443102225.db2.gz AJIZSWWTQGUITF-LBPRGKRZSA-N 1 0 339.367 1.913 20 5 EDBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255715969 443108640 /nfs/dbraw/zinc/10/86/40/443108640.db2.gz WIGRSDQWPVPDHT-TWGQIWQCSA-N 1 0 346.431 1.704 20 5 EDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237427859 443171492 /nfs/dbraw/zinc/17/14/92/443171492.db2.gz UKRMLIHMXNPBMI-DGCLKSJQSA-N 1 0 329.360 1.732 20 5 EDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237529033 443175821 /nfs/dbraw/zinc/17/58/21/443175821.db2.gz UKRMLIHMXNPBMI-AAEUAGOBSA-N 1 0 329.360 1.732 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000237663556 443178470 /nfs/dbraw/zinc/17/84/70/443178470.db2.gz GWHVGTDUBHOXAH-LBPRGKRZSA-N 1 0 327.406 1.632 20 5 EDBDRO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H](O)CN1CCOCC1 ZINC000269043322 443181065 /nfs/dbraw/zinc/18/10/65/443181065.db2.gz KPRGTZZUNRWQPV-CYBMUJFWSA-N 1 0 343.811 1.373 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1C ZINC000262327453 443190109 /nfs/dbraw/zinc/19/01/09/443190109.db2.gz RZZZDIJOIWLCEM-NWDGAFQWSA-N 1 0 327.406 1.569 20 5 EDBDRO C[NH2+]C[C@H](C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000237126132 443158965 /nfs/dbraw/zinc/15/89/65/443158965.db2.gz JPXUMFBTEXPUID-VIFPVBQESA-N 1 0 344.209 1.872 20 5 EDBDRO COc1cc(OCC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000185197795 443159287 /nfs/dbraw/zinc/15/92/87/443159287.db2.gz WQFQVGQGUFLGAM-UHTWSYAYSA-N 1 0 335.360 1.178 20 5 EDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cc(C(N)=O)c1=O)Cc1ccc(F)cc1 ZINC000185686960 443239395 /nfs/dbraw/zinc/23/93/95/443239395.db2.gz CULWHOJTDYAIKX-UHFFFAOYSA-N 1 0 348.334 1.127 20 5 EDBDRO O=C(N[C@H]1CC[NH2+]C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269125870 443205921 /nfs/dbraw/zinc/20/59/21/443205921.db2.gz DVXHZEUMNMBCRA-ZETCQYMHSA-N 1 0 332.129 1.588 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1[N+](=O)[O-] ZINC000262741543 443210246 /nfs/dbraw/zinc/21/02/46/443210246.db2.gz CIZBQADBUMULBA-OLZOCXBDSA-N 1 0 339.417 1.727 20 5 EDBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000185555404 443218583 /nfs/dbraw/zinc/21/85/83/443218583.db2.gz BZBVJVJTRMZHMU-AWEZNQCLSA-N 1 0 349.435 1.420 20 5 EDBDRO COc1cc(OCC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000269246454 443249650 /nfs/dbraw/zinc/24/96/50/443249650.db2.gz YMZISBFWXUWNJE-NEPJUHHUSA-N 1 0 337.376 1.487 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000411178688 319168690 /nfs/dbraw/zinc/16/86/90/319168690.db2.gz MWQBQFJZGKGNOA-CYBMUJFWSA-N 1 0 348.403 1.751 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000411354603 319177870 /nfs/dbraw/zinc/17/78/70/319177870.db2.gz JIMSIXHAHABWRX-OLZOCXBDSA-N 1 0 348.403 1.749 20 5 EDBDRO O=C(CC[NH2+][C@@H](CO)[C@H]1CCCOC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411995536 319219991 /nfs/dbraw/zinc/21/99/91/319219991.db2.gz QCUMOTOADPNXQU-WFASDCNBSA-N 1 0 337.376 1.301 20 5 EDBDRO CCc1n[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1[N+](=O)[O-] ZINC000185780041 443256243 /nfs/dbraw/zinc/25/62/43/443256243.db2.gz GWJFLFCPUZHJFU-NEPJUHHUSA-N 1 0 335.408 1.968 20 5 EDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185804283 443260587 /nfs/dbraw/zinc/26/05/87/443260587.db2.gz WQMSGAKFHKUOBF-GFCCVEGCSA-N 1 0 327.406 1.557 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000414666354 319338365 /nfs/dbraw/zinc/33/83/65/319338365.db2.gz WFPRLJJBGXNYAD-GFCCVEGCSA-N 1 0 349.391 1.222 20 5 EDBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000186039290 443301965 /nfs/dbraw/zinc/30/19/65/443301965.db2.gz WNERUPMBJGFNSL-CYBMUJFWSA-N 1 0 335.408 1.742 20 5 EDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC1CCS(=O)(=O)CC1 ZINC000282363466 443316640 /nfs/dbraw/zinc/31/66/40/443316640.db2.gz DMMHYVGDSSFGIO-UHFFFAOYSA-N 1 0 326.418 1.894 20 5 EDBDRO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000269481151 443320930 /nfs/dbraw/zinc/32/09/30/443320930.db2.gz BBRKEONMIVZIBT-AWEZNQCLSA-N 1 0 344.371 1.072 20 5 EDBDRO CC(C)c1n[nH]c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1[N+](=O)[O-] ZINC000269524690 443336193 /nfs/dbraw/zinc/33/61/93/443336193.db2.gz QXONTVLQCGRQBE-AWEZNQCLSA-N 1 0 341.437 1.608 20 5 EDBDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)nc2)C1 ZINC000269532435 443339296 /nfs/dbraw/zinc/33/92/96/443339296.db2.gz JQLGTSJLXZOXMF-LBPRGKRZSA-N 1 0 344.375 1.711 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000267216742 443381943 /nfs/dbraw/zinc/38/19/43/443381943.db2.gz CLMMWVCGHVPAHM-JQWIXIFHSA-N 1 0 342.421 1.527 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000267236214 443388426 /nfs/dbraw/zinc/38/84/26/443388426.db2.gz GMMJSUUZCZAEQT-GHMZBOCLSA-N 1 0 342.421 1.527 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000267236220 443388867 /nfs/dbraw/zinc/38/88/67/443388867.db2.gz GMMJSUUZCZAEQT-WDEREUQCSA-N 1 0 342.421 1.527 20 5 EDBDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000264730842 443395402 /nfs/dbraw/zinc/39/54/02/443395402.db2.gz IRALJKMXQHCPNL-UHFFFAOYSA-N 1 0 336.392 1.688 20 5 EDBDRO C[NH+](C)CCCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000264913854 443474782 /nfs/dbraw/zinc/47/47/82/443474782.db2.gz NXVWZXAVOFKKTM-UHFFFAOYSA-N 1 0 332.364 1.247 20 5 EDBDRO C[C@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000272847934 443465229 /nfs/dbraw/zinc/46/52/29/443465229.db2.gz MZSPLSNYYIZGTB-MRVPVSSYSA-N 1 0 328.756 1.253 20 5 EDBDRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423039632 319749134 /nfs/dbraw/zinc/74/91/34/319749134.db2.gz FUKJGXVGMWEMGC-GXTWGEPZSA-N 1 0 341.795 1.674 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000423539210 319783002 /nfs/dbraw/zinc/78/30/02/319783002.db2.gz OLCGQNIEUIYXCZ-SNVBAGLBSA-N 1 0 345.808 1.526 20 5 EDBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H](C)C1 ZINC000265189981 443564013 /nfs/dbraw/zinc/56/40/13/443564013.db2.gz KNMVYRJIYPEHOO-OLZOCXBDSA-N 1 0 338.408 1.790 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000279377216 443569519 /nfs/dbraw/zinc/56/95/19/443569519.db2.gz XOFVDDRJBJEKPW-YPMHNXCESA-N 1 0 337.376 1.683 20 5 EDBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])cc1 ZINC000286029134 443629148 /nfs/dbraw/zinc/62/91/48/443629148.db2.gz KCTQGGOJQSNIOZ-CYBMUJFWSA-N 1 0 347.375 1.668 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272336399 443595650 /nfs/dbraw/zinc/59/56/50/443595650.db2.gz NPUTWDFIQXWANW-SKDRFNHKSA-N 1 0 333.344 1.536 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276170913 443661067 /nfs/dbraw/zinc/66/10/67/443661067.db2.gz HEGAFQZLKJPYDR-LLVKDONJSA-N 1 0 327.406 1.386 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000440358356 320073707 /nfs/dbraw/zinc/07/37/07/320073707.db2.gz NMTVMIGTTFPPTF-WCQYABFASA-N 1 0 341.433 1.824 20 5 EDBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000448791330 320160283 /nfs/dbraw/zinc/16/02/83/320160283.db2.gz FGHNXTDGXRFUPK-CYBMUJFWSA-N 1 0 331.372 1.911 20 5 EDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000449642823 320196222 /nfs/dbraw/zinc/19/62/22/320196222.db2.gz HDUAGBLADXFQLV-NEPJUHHUSA-N 1 0 344.375 1.423 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000449728890 320202436 /nfs/dbraw/zinc/20/24/36/320202436.db2.gz XTZXWTOVVQDTBS-TUAOUCFPSA-N 1 0 338.412 1.071 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000452396692 320248948 /nfs/dbraw/zinc/24/89/48/320248948.db2.gz YIYXLFVEKFAVJA-GFCCVEGCSA-N 1 0 337.376 1.180 20 5 EDBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc2c(s1)CCC2 ZINC000459627643 320348984 /nfs/dbraw/zinc/34/89/84/320348984.db2.gz BMHHABXVRGURMG-GXSJLCMTSA-N 1 0 337.405 1.448 20 5 EDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000492698810 320382738 /nfs/dbraw/zinc/38/27/38/320382738.db2.gz CCCHWVKBRJXQLV-QIAWRQBBSA-N 1 0 347.415 1.912 20 5 EDBDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000284957245 443797728 /nfs/dbraw/zinc/79/77/28/443797728.db2.gz KVAMOMYEDMNOEV-LLVKDONJSA-N 1 0 335.389 1.946 20 5 EDBDRO C[NH+](C)C1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000298869781 443888862 /nfs/dbraw/zinc/88/88/62/443888862.db2.gz UMVISDIUVRRPDZ-UHFFFAOYSA-N 1 0 327.406 1.748 20 5 EDBDRO Cn1nccc1[C@H]1[C@H](CNc2ncc([N+](=O)[O-])cn2)CCC[N@@H+]1C ZINC000285100496 443855874 /nfs/dbraw/zinc/85/58/74/443855874.db2.gz ZDRRZZXDQWWANW-SMDDNHRTSA-N 1 0 331.380 1.613 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000281591146 443952962 /nfs/dbraw/zinc/95/29/62/443952962.db2.gz FBAGSDVZBQHWPU-QGZVFWFLSA-N 1 0 345.355 1.016 20 5 EDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])C2)C1 ZINC000293185436 443946032 /nfs/dbraw/zinc/94/60/32/443946032.db2.gz DFJNMFWDIGYSFX-KRWDZBQOSA-N 1 0 332.404 1.875 20 5 EDBDRO CC(C)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000277150741 443919448 /nfs/dbraw/zinc/91/94/48/443919448.db2.gz YNLZMRPBNQCSAU-UHFFFAOYSA-N 1 0 341.433 1.995 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(C[NH+](C)C)CCC1 ZINC000281636515 443965989 /nfs/dbraw/zinc/96/59/89/443965989.db2.gz VEIZARTZXBQINK-UHFFFAOYSA-N 1 0 343.405 1.366 20 5 EDBDRO CCCC[N@H+](C)C[C@H](C)Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000288779243 443980896 /nfs/dbraw/zinc/98/08/96/443980896.db2.gz DJDARPKYMQWGEI-NSHDSACASA-N 1 0 344.437 1.775 20 5 EDBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000293478357 444028926 /nfs/dbraw/zinc/02/89/26/444028926.db2.gz VKSUEJUYEBCCFZ-QGZVFWFLSA-N 1 0 346.387 1.478 20 5 EDBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)NCC2CC[NH2+]CC2)cc1 ZINC000564958459 321160555 /nfs/dbraw/zinc/16/05/55/321160555.db2.gz NLMOJQGZCYQWDK-UHFFFAOYSA-N 1 0 327.406 1.056 20 5 EDBDRO CC(C)(C)C[C@H](CO)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564974329 321162121 /nfs/dbraw/zinc/16/21/21/321162121.db2.gz GODJFKWQLLSHDF-OLZOCXBDSA-N 1 0 326.393 1.721 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000564990765 321163320 /nfs/dbraw/zinc/16/33/20/321163320.db2.gz MJJHCWWNJNNXIY-QGZVFWFLSA-N 1 0 341.367 1.977 20 5 EDBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@H]1C[NH3+] ZINC000565769486 321200243 /nfs/dbraw/zinc/20/02/43/321200243.db2.gz XYJXEKQVZHGGIR-GHMZBOCLSA-N 1 0 335.360 1.423 20 5 EDBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000289426459 444140384 /nfs/dbraw/zinc/14/03/84/444140384.db2.gz CQOCOYFJSKMSHZ-GFCCVEGCSA-N 1 0 329.422 1.994 20 5 EDBDRO Cn1cc([C@@H](CNc2nc3sccn3c2[N+](=O)[O-])[NH+](C)C)cn1 ZINC000301271865 444160010 /nfs/dbraw/zinc/16/00/10/444160010.db2.gz HLCJZIVGDOUXDC-SNVBAGLBSA-N 1 0 335.393 1.752 20 5 EDBDRO CC(=O)c1cc(N2CCN(C(=O)C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000285957876 444162949 /nfs/dbraw/zinc/16/29/49/444162949.db2.gz AGFWIKSZZSIYOL-UHFFFAOYSA-N 1 0 334.376 1.008 20 5 EDBDRO CC[N@@H+]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC000289567036 444173505 /nfs/dbraw/zinc/17/35/05/444173505.db2.gz TXTBEJCWRCVOJP-UHFFFAOYSA-N 1 0 330.392 1.922 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000301576266 444180347 /nfs/dbraw/zinc/18/03/47/444180347.db2.gz MHGPNKUEQCSBSA-VXGBXAGGSA-N 1 0 331.376 1.887 20 5 EDBDRO CCOC(=O)c1cc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000301640611 444183205 /nfs/dbraw/zinc/18/32/05/444183205.db2.gz GKFBQDGSGDSSPX-GJZGRUSLSA-N 1 0 335.360 1.291 20 5 EDBDRO COC(=O)c1cc(N2CC[NH+]([C@H](C)CO)CC2)cc(C)c1[N+](=O)[O-] ZINC000301821367 444192358 /nfs/dbraw/zinc/19/23/58/444192358.db2.gz JYZUZVAWUMWCAD-GFCCVEGCSA-N 1 0 337.376 1.193 20 5 EDBDRO Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302040370 444201939 /nfs/dbraw/zinc/20/19/39/444201939.db2.gz WEFNGADLJYNRIP-JKSUJKDBSA-N 1 0 328.372 1.971 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000302069671 444203153 /nfs/dbraw/zinc/20/31/53/444203153.db2.gz DUGSMAITRHTIFW-LBPRGKRZSA-N 1 0 336.392 1.429 20 5 EDBDRO Cc1cccc(O[C@H](C)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000577172329 321629171 /nfs/dbraw/zinc/62/91/71/321629171.db2.gz PRRFVRNGYABHKH-UKRRQHHQSA-N 1 0 334.376 1.518 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000577492661 321657492 /nfs/dbraw/zinc/65/74/92/321657492.db2.gz MYFXGIRTWCQCOC-GXFFZTMASA-N 1 0 327.406 1.434 20 5 EDBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[N@@H+]1C1CC1 ZINC000290732568 444316533 /nfs/dbraw/zinc/31/65/33/444316533.db2.gz GBZKWTYCWJNZAR-VHSXEESVSA-N 1 0 340.405 1.279 20 5 EDBDRO O=C1C[C@H]([C@H]2CCCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1 ZINC000305721736 444275536 /nfs/dbraw/zinc/27/55/36/444275536.db2.gz IMKLKHHMYULLIG-NUEKZKHPSA-N 1 0 333.388 1.619 20 5 EDBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290623094 444302925 /nfs/dbraw/zinc/30/29/25/444302925.db2.gz LQUUDTWBAUJMCM-TUAOUCFPSA-N 1 0 335.408 1.867 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccccc2-n2cccn2)c1 ZINC000326405895 444374941 /nfs/dbraw/zinc/37/49/41/444374941.db2.gz OSAXSBYYLUNBJB-OAHLLOKOSA-N 1 0 342.359 1.128 20 5 EDBDRO CCCCOC[C@H](O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298099485 444415756 /nfs/dbraw/zinc/41/57/56/444415756.db2.gz NKABVUWFJNIPGP-CQSZACIVSA-N 1 0 338.408 1.289 20 5 EDBDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000340615505 444461001 /nfs/dbraw/zinc/46/10/01/444461001.db2.gz DHYJWQMPVOGKOQ-JJMVLAAESA-N 1 0 346.387 1.569 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000580191494 322021163 /nfs/dbraw/zinc/02/11/63/322021163.db2.gz IRVWHNAEKALIRI-GXTWGEPZSA-N 1 0 339.417 1.530 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000580191496 322021188 /nfs/dbraw/zinc/02/11/88/322021188.db2.gz IRVWHNAEKALIRI-OCCSQVGLSA-N 1 0 339.417 1.530 20 5 EDBDRO CCc1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000580773414 322093741 /nfs/dbraw/zinc/09/37/41/322093741.db2.gz FJJZXXBZWSFKPH-CQSZACIVSA-N 1 0 327.406 1.515 20 5 EDBDRO [NH3+][C@H]1C[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CCN2C1=O ZINC000581023445 322126524 /nfs/dbraw/zinc/12/65/24/322126524.db2.gz ZTSYGYSISJHFQC-KOLCDFICSA-N 1 0 344.293 1.362 20 5 EDBDRO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H]1Cc1ccccc1 ZINC000343706372 444533781 /nfs/dbraw/zinc/53/37/81/444533781.db2.gz JZCISIYCIBWATA-ZDUSSCGKSA-N 1 0 328.376 1.330 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCSC[C@@H]1CO ZINC000343774649 444581962 /nfs/dbraw/zinc/58/19/62/444581962.db2.gz VNMQRPODEQBSAY-ZDUSSCGKSA-N 1 0 339.417 1.642 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2CCSC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000343720880 444544492 /nfs/dbraw/zinc/54/44/92/444544492.db2.gz BNQCGMMHBBDROD-GFCCVEGCSA-N 1 0 339.417 1.642 20 5 EDBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1O ZINC000341046529 444651479 /nfs/dbraw/zinc/65/14/79/444651479.db2.gz MIKKSNOUOMQQBR-ABAIWWIYSA-N 1 0 337.376 1.635 20 5 EDBDRO CC[NH+]1CCN(CC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000338327614 444636136 /nfs/dbraw/zinc/63/61/36/444636136.db2.gz VTXIDHRHLNQJOZ-UHFFFAOYSA-N 1 0 334.420 1.233 20 5 EDBDRO C[NH+](C)CCn1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000338650443 444792058 /nfs/dbraw/zinc/79/20/58/444792058.db2.gz LQXVCAOXDYJRCA-UHFFFAOYSA-N 1 0 343.343 2.351 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000336868342 444812426 /nfs/dbraw/zinc/81/24/26/444812426.db2.gz WMGJEDIKCUAREL-SNVBAGLBSA-N 1 0 331.394 1.399 20 5 EDBDRO Cc1cc(N2CCC(O)(C(N)=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000336878912 444825408 /nfs/dbraw/zinc/82/54/08/444825408.db2.gz JTRNFHHSTYQTQI-UHFFFAOYSA-N 1 0 330.344 1.268 20 5 EDBDRO C[C@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000338794165 444854701 /nfs/dbraw/zinc/85/47/01/444854701.db2.gz KVDKARVGTKBVEG-GJZGRUSLSA-N 1 0 348.447 1.956 20 5 EDBDRO O=[N+]([O-])c1ccc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cn1 ZINC000338799060 444856630 /nfs/dbraw/zinc/85/66/30/444856630.db2.gz DQJOLDDZVNTSOP-MRXNPFEDSA-N 1 0 328.372 1.821 20 5 EDBDRO COC(=O)c1cc(C)nc(NCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000341544162 444885512 /nfs/dbraw/zinc/88/55/12/444885512.db2.gz GWUGGECTDYIZGY-LBPRGKRZSA-N 1 0 336.392 2.371 20 5 EDBDRO COc1c(C(=O)N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)cccc1[N+](=O)[O-] ZINC000344508307 445021866 /nfs/dbraw/zinc/02/18/66/445021866.db2.gz GCWOKUPVRRDPRV-RYUDHWBXSA-N 1 0 337.376 1.395 20 5 EDBDRO CO[C@@H]1C[C@@H](CN(C)C(=O)CCc2cccc([N+](=O)[O-])c2)[N@H+](C)C1 ZINC000344492277 445008263 /nfs/dbraw/zinc/00/82/63/445008263.db2.gz GAPODJSKWDVCMJ-JKSUJKDBSA-N 1 0 335.404 1.705 20 5 EDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337553181 445134617 /nfs/dbraw/zinc/13/46/17/445134617.db2.gz RCNVOXVBSAEGJD-GDBMZVCRSA-N 1 0 347.419 1.933 20 5 EDBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000343278790 445175552 /nfs/dbraw/zinc/17/55/52/445175552.db2.gz XQIHVLAXDVCEGJ-OAHLLOKOSA-N 1 0 343.387 1.895 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000342115317 445179335 /nfs/dbraw/zinc/17/93/35/445179335.db2.gz UEAKENAMPSGSCE-LBPRGKRZSA-N 1 0 346.387 1.503 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000344793690 445143744 /nfs/dbraw/zinc/14/37/44/445143744.db2.gz OVLGCALQMWYVLG-NTCAYCPXSA-N 1 0 346.431 1.752 20 5 EDBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cnn(C)c1 ZINC000348325910 445257502 /nfs/dbraw/zinc/25/75/02/445257502.db2.gz YXDJTZCHAYQZTE-ABAIWWIYSA-N 1 0 329.360 1.784 20 5 EDBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000348640610 445342899 /nfs/dbraw/zinc/34/28/99/445342899.db2.gz HQRUAGYGYHHQAL-SAYIFAPPSA-N 1 0 344.371 1.624 20 5 EDBDRO CC[C@@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000354709717 445346932 /nfs/dbraw/zinc/34/69/32/445346932.db2.gz KCGXHWGXWFLBHU-CABCVRRESA-N 1 0 348.403 1.420 20 5 EDBDRO CSc1cccc(C(=O)NCCOCC[NH+](C)C)c1[N+](=O)[O-] ZINC000362410136 445365884 /nfs/dbraw/zinc/36/58/84/445365884.db2.gz IXGISFYLCHMUNJ-UHFFFAOYSA-N 1 0 327.406 1.625 20 5 EDBDRO C[NH+](C)[C@]1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCSC1 ZINC000359740261 445402096 /nfs/dbraw/zinc/40/20/96/445402096.db2.gz QOHPUQQJWPHTQF-AWEZNQCLSA-N 1 0 327.381 1.901 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000352047562 445458594 /nfs/dbraw/zinc/45/85/94/445458594.db2.gz JQXZDADADMOLCJ-AWEZNQCLSA-N 1 0 335.404 1.709 20 5 EDBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000357228759 445493209 /nfs/dbraw/zinc/49/32/09/445493209.db2.gz UJNHMETUDMUXKA-UHFFFAOYSA-N 1 0 329.360 1.964 20 5 EDBDRO Cc1c(C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)cccc1[N+](=O)[O-] ZINC000362826647 445567932 /nfs/dbraw/zinc/56/79/32/445567932.db2.gz PIRGVEDBGTZYBT-HNNXBMFYSA-N 1 0 332.404 1.299 20 5 EDBDRO COc1cccc(CN(CC[NH+](C)C)c2ncc([N+](=O)[O-])c(N)n2)c1 ZINC000357663983 445574989 /nfs/dbraw/zinc/57/49/89/445574989.db2.gz VOZOEFWIGTYTNU-UHFFFAOYSA-N 1 0 346.391 1.544 20 5 EDBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H](C)C1 ZINC000360053858 445547476 /nfs/dbraw/zinc/54/74/76/445547476.db2.gz OFRLHADKTABJQN-OCCSQVGLSA-N 1 0 338.408 1.790 20 5 EDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(N2CCN(C)CC2=O)CC1 ZINC000360634353 445718646 /nfs/dbraw/zinc/71/86/46/445718646.db2.gz CZQYFNATHKGNFY-AWEZNQCLSA-N 1 0 346.431 1.894 20 5 EDBDRO COC(=O)C(C)(C)CC[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000349969970 445737599 /nfs/dbraw/zinc/73/75/99/445737599.db2.gz GPVOAFPSXPGQOE-CQSZACIVSA-N 1 0 349.387 1.879 20 5 EDBDRO CCc1nc(CN2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC000363491522 445828195 /nfs/dbraw/zinc/82/81/95/445828195.db2.gz XBXRYNJBNSCDML-CHWSQXEVSA-N 1 0 338.433 1.405 20 5 EDBDRO COc1ccc(NC(=O)CN[C@H](C)c2nncn2C)c([N+](=O)[O-])c1 ZINC000358824940 445794872 /nfs/dbraw/zinc/79/48/72/445794872.db2.gz NYXYFSROQNBADG-SECBINFHSA-N 1 0 334.336 1.021 20 5 EDBDRO Cc1ccc(NCCCNC(=O)c2ccnc(C[NH3+])c2)c([N+](=O)[O-])c1 ZINC000361631317 445857916 /nfs/dbraw/zinc/85/79/16/445857916.db2.gz KDESKCQWUKXVKD-UHFFFAOYSA-N 1 0 343.387 1.989 20 5 EDBDRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000350621766 445858047 /nfs/dbraw/zinc/85/80/47/445858047.db2.gz VBAROSUVXCWAJQ-UHFFFAOYSA-N 1 0 347.350 1.851 20 5 EDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000350779638 445903785 /nfs/dbraw/zinc/90/37/85/445903785.db2.gz AHDHYCDFJUXNRK-HSBHDXMMSA-N 1 0 326.374 1.011 20 5 EDBDRO CO[C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C[NH3+])C1 ZINC000359046414 445909039 /nfs/dbraw/zinc/90/90/39/445909039.db2.gz RSEVVVYEOBWWJT-UONOGXRCSA-N 1 0 347.375 1.583 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000354223548 446019960 /nfs/dbraw/zinc/01/99/60/446019960.db2.gz LIKJUBLSGWKVKO-DOMZBBRYSA-N 1 0 334.420 1.998 20 5 EDBDRO C[NH+](C)[C@H]1CCc2ccccc2[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000373099806 446026314 /nfs/dbraw/zinc/02/63/14/446026314.db2.gz PAUWRPYNOUFQCA-WMLDXEAASA-N 1 0 343.387 1.525 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000354237822 446034081 /nfs/dbraw/zinc/03/40/81/446034081.db2.gz KVDFOIDEWLGXPG-YPMHNXCESA-N 1 0 348.403 1.695 20 5 EDBDRO CO[C@H]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000359215802 446046151 /nfs/dbraw/zinc/04/61/51/446046151.db2.gz FUZDJJUOCCOZQD-RYUDHWBXSA-N 1 0 339.417 1.895 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373059077 446000129 /nfs/dbraw/zinc/00/01/29/446000129.db2.gz SZPKDBVZGFDTAJ-ONGXEEELSA-N 1 0 345.808 1.621 20 5 EDBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000356780987 446012530 /nfs/dbraw/zinc/01/25/30/446012530.db2.gz DRXGRUDYPOCYLX-LBPRGKRZSA-N 1 0 346.391 1.634 20 5 EDBDRO CNS(=O)(=O)[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000369288713 446051705 /nfs/dbraw/zinc/05/17/05/446051705.db2.gz TWAPMKMPICJWPJ-AWEZNQCLSA-N 1 0 327.406 1.151 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH2+]C[C@@H]1C(F)F ZINC000583935209 326169427 /nfs/dbraw/zinc/16/94/27/326169427.db2.gz WTHIWVYTZSGJLB-LLVKDONJSA-N 1 0 328.319 1.381 20 5 EDBDRO NC(=O)CN1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000365259196 446107227 /nfs/dbraw/zinc/10/72/27/446107227.db2.gz YSCWFSNUMGJRGC-UHFFFAOYSA-N 1 0 329.360 1.140 20 5 EDBDRO O=C1O[C@@H](C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CC12CCC2 ZINC000365272036 446116634 /nfs/dbraw/zinc/11/66/34/446116634.db2.gz WVFCLJQLSPICCV-TZMCWYRMSA-N 1 0 334.376 1.914 20 5 EDBDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000373316725 446161620 /nfs/dbraw/zinc/16/16/20/446161620.db2.gz JLVMCGVULNALRY-GFCCVEGCSA-N 1 0 333.392 1.892 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362064147 446187118 /nfs/dbraw/zinc/18/71/18/446187118.db2.gz HRYSLVKIFBGNJR-CHWSQXEVSA-N 1 0 336.392 1.286 20 5 EDBDRO Cc1ccc(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000365334267 446153452 /nfs/dbraw/zinc/15/34/52/446153452.db2.gz ILIHXVKUVKNKAK-MRXNPFEDSA-N 1 0 346.431 1.755 20 5 EDBDRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)c1n[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC000373623728 446283940 /nfs/dbraw/zinc/28/39/40/446283940.db2.gz GUEULPUYQKDBGZ-BBRMVZONSA-N 1 0 329.360 1.815 20 5 EDBDRO Cc1c(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000362288566 446307233 /nfs/dbraw/zinc/30/72/33/446307233.db2.gz PZZCFMMRUAQJJK-XHDPSFHLSA-N 1 0 348.359 1.978 20 5 EDBDRO Cc1nc(N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000370530279 446319741 /nfs/dbraw/zinc/31/97/41/446319741.db2.gz CDLNXXXOXGMAAN-HNNXBMFYSA-N 1 0 333.436 1.903 20 5 EDBDRO O=C(NC1CC1)c1ccc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000420255837 446434286 /nfs/dbraw/zinc/43/42/86/446434286.db2.gz GLCWCJCMRXSGGC-OCCSQVGLSA-N 1 0 330.388 1.675 20 5 EDBDRO Cc1cc(N2CCC(O)(C[NH3+])CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420269432 446441778 /nfs/dbraw/zinc/44/17/78/446441778.db2.gz HYKMEHOINBJIOC-UHFFFAOYSA-N 1 0 343.387 1.650 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000411256644 446449527 /nfs/dbraw/zinc/44/95/27/446449527.db2.gz SEYNQDMZZWWGSK-GFCCVEGCSA-N 1 0 332.360 1.195 20 5 EDBDRO O=C(NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000370760783 446421086 /nfs/dbraw/zinc/42/10/86/446421086.db2.gz TTYHORFWRQNWKA-ZBFHGGJFSA-N 1 0 333.388 1.826 20 5 EDBDRO C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH3+] ZINC000420295861 446459957 /nfs/dbraw/zinc/45/99/57/446459957.db2.gz WFRSOZBVXNFTNQ-BXKDBHETSA-N 1 0 326.784 1.856 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000411311359 446485709 /nfs/dbraw/zinc/48/57/09/446485709.db2.gz MNHBDPMIWTYKCC-ZDUSSCGKSA-N 1 0 332.360 1.148 20 5 EDBDRO NC(=O)c1ccc(CN2CCCC[C@H]2Cn2ccnn2)c([N+](=O)[O-])c1 ZINC000374989322 446497642 /nfs/dbraw/zinc/49/76/42/446497642.db2.gz PXWZVISTQIZLDJ-AWEZNQCLSA-N 1 0 344.375 1.340 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+]C[C@@](C)(F)C1 ZINC000420329566 446498810 /nfs/dbraw/zinc/49/88/10/446498810.db2.gz JTLIXILSODIRDL-MRXNPFEDSA-N 1 0 338.383 1.865 20 5 EDBDRO O=C(NC[C@H]1CCC[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418370631 446518273 /nfs/dbraw/zinc/51/82/73/446518273.db2.gz OYVCDNSGHFMJTL-CYBMUJFWSA-N 1 0 333.392 1.178 20 5 EDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420360617 446540807 /nfs/dbraw/zinc/54/08/07/446540807.db2.gz GMCJMUBJIWMEFA-CXAGYDPISA-N 1 0 332.404 1.997 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420368326 446546567 /nfs/dbraw/zinc/54/65/67/446546567.db2.gz NOQJJQJWPGZJFW-LYOVBCGYSA-N 1 0 336.392 1.518 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC000418602454 446611325 /nfs/dbraw/zinc/61/13/25/446611325.db2.gz MMSRMWFYZVVLKJ-YPMHNXCESA-N 1 0 334.376 1.639 20 5 EDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423637293 446620005 /nfs/dbraw/zinc/62/00/05/446620005.db2.gz CFBLPZKXDYJCQJ-CYBMUJFWSA-N 1 0 348.403 1.113 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000420432223 446607660 /nfs/dbraw/zinc/60/76/60/446607660.db2.gz BEHBJFWRYGCERX-MRVPVSSYSA-N 1 0 335.357 1.148 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000423690378 446641887 /nfs/dbraw/zinc/64/18/87/446641887.db2.gz YUFGHELNSWLWOR-GXTWGEPZSA-N 1 0 348.403 1.282 20 5 EDBDRO [NH3+][C@H]1CCC[C@@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000420472873 446648215 /nfs/dbraw/zinc/64/82/15/446648215.db2.gz SYVGNVPRBQYZTH-YPMHNXCESA-N 1 0 327.406 1.532 20 5 EDBDRO C[C@@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000420483866 446651210 /nfs/dbraw/zinc/65/12/10/446651210.db2.gz WZNFYGMVHMUZMD-OCCSQVGLSA-N 1 0 341.433 1.384 20 5 EDBDRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2ccccc2[N+](=O)[O-])C1=O ZINC000371092145 446623749 /nfs/dbraw/zinc/62/37/49/446623749.db2.gz ZFFKNBWKWKVXRB-WBMJQRKESA-N 1 0 332.360 1.405 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000420455154 446632227 /nfs/dbraw/zinc/63/22/27/446632227.db2.gz YZDLRCFESZHJID-AWEZNQCLSA-N 1 0 341.433 1.589 20 5 EDBDRO CC1(C)CN(CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000411829819 446686137 /nfs/dbraw/zinc/68/61/37/446686137.db2.gz VMQQYNUPSDBZPY-JKSUJKDBSA-N 1 0 347.415 1.925 20 5 EDBDRO COc1cccc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000376921947 446799684 /nfs/dbraw/zinc/79/96/84/446799684.db2.gz GWGNZZYSBXNRLJ-AWEZNQCLSA-N 1 0 348.403 1.522 20 5 EDBDRO O=C1[C@H]([NH2+][C@@H](CO)[C@H]2CCCOC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000411999281 446779945 /nfs/dbraw/zinc/77/99/45/446779945.db2.gz XGWSZLCXILDLKN-MAZHCROVSA-N 1 0 349.387 1.077 20 5 EDBDRO CN(C(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000412046592 446809609 /nfs/dbraw/zinc/80/96/09/446809609.db2.gz NUYBQEKLDZKNID-WOSRLPQWSA-N 1 0 333.388 1.650 20 5 EDBDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000412067538 446829599 /nfs/dbraw/zinc/82/95/99/446829599.db2.gz DTXSBARSWLRTPT-QWHCGFSZSA-N 1 0 349.387 1.986 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424100003 446850992 /nfs/dbraw/zinc/85/09/92/446850992.db2.gz KCYBEIYRFBQHHF-AWEZNQCLSA-N 1 0 344.375 1.083 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000368499709 446900692 /nfs/dbraw/zinc/90/06/92/446900692.db2.gz RWGUDUYGYZWSBI-AAEUAGOBSA-N 1 0 336.367 1.941 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377063705 446896418 /nfs/dbraw/zinc/89/64/18/446896418.db2.gz YPUTZXXBBKLJTB-CQSZACIVSA-N 1 0 346.431 1.802 20 5 EDBDRO C[C@@H](NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000419154558 446971255 /nfs/dbraw/zinc/97/12/55/446971255.db2.gz RRWAOCKRYMEPCB-PXAZEXFGSA-N 1 0 348.403 1.278 20 5 EDBDRO O=C(C1CC[NH+](C2CC2)CC1)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375734568 447010112 /nfs/dbraw/zinc/01/01/12/447010112.db2.gz GBJAPUJURIUAQP-OAHLLOKOSA-N 1 0 347.419 1.829 20 5 EDBDRO CNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413094154 446995830 /nfs/dbraw/zinc/99/58/30/446995830.db2.gz OVZWOQHBTCUPEC-UHFFFAOYSA-N 1 0 343.387 1.765 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000419267587 447043830 /nfs/dbraw/zinc/04/38/30/447043830.db2.gz JCFHNUKCDHOUNB-STQMWFEESA-N 1 0 348.403 1.196 20 5 EDBDRO Cc1c(C(=O)N[C@@H]2CCC[NH2+]CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000368719081 447063699 /nfs/dbraw/zinc/06/36/99/447063699.db2.gz MQZQIGNBEFRFII-LLVKDONJSA-N 1 0 336.348 1.992 20 5 EDBDRO CN1CC[C@@H](C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)[C@@H]1c1cccnc1 ZINC000372522869 447106933 /nfs/dbraw/zinc/10/69/33/447106933.db2.gz OZOIZTMKGUTIKL-RDJZCZTQSA-N 1 0 344.419 1.811 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000372501954 447094006 /nfs/dbraw/zinc/09/40/06/447094006.db2.gz FWIWRLAEVCRQBB-CQSZACIVSA-N 1 0 335.408 1.658 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000375904902 447135908 /nfs/dbraw/zinc/13/59/08/447135908.db2.gz LPPZXCTWIOTIJW-KRWDZBQOSA-N 1 0 346.387 1.444 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000375904903 447136688 /nfs/dbraw/zinc/13/66/88/447136688.db2.gz LPPZXCTWIOTIJW-QGZVFWFLSA-N 1 0 346.387 1.444 20 5 EDBDRO COc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000377480321 447151735 /nfs/dbraw/zinc/15/17/35/447151735.db2.gz CHNPVBWUQNAXOS-QWHCGFSZSA-N 1 0 335.360 1.196 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000421403761 447152130 /nfs/dbraw/zinc/15/21/30/447152130.db2.gz XQHKODCPXVOEQA-LBPRGKRZSA-N 1 0 332.364 1.475 20 5 EDBDRO O=C(CC[N@@H+]1CCC[C@@H](n2ccnn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000425500646 447195597 /nfs/dbraw/zinc/19/55/97/447195597.db2.gz DGRVIHPPAHLYKF-CYBMUJFWSA-N 1 0 344.375 1.852 20 5 EDBDRO C[C@]1(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)NC(=O)NC1=O ZINC000372600663 447172569 /nfs/dbraw/zinc/17/25/69/447172569.db2.gz NTBKARYHAUQKGA-MRXNPFEDSA-N 1 0 332.360 1.405 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(NC)n2)C[C@H]1C ZINC000455742159 447219660 /nfs/dbraw/zinc/21/96/60/447219660.db2.gz YHPSMGMBZBLSMB-NEPJUHHUSA-N 1 0 335.408 1.976 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000372790543 447287404 /nfs/dbraw/zinc/28/74/04/447287404.db2.gz LYEXXFQOEQFKEJ-LSDHHAIUSA-N 1 0 339.417 1.795 20 5 EDBDRO C[C@H](CO)[N@@H+]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372754545 447270685 /nfs/dbraw/zinc/27/06/85/447270685.db2.gz ZFGNLOGKMLMIMA-OAHLLOKOSA-N 1 0 337.420 1.752 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)N(CCO)C[C@H]1C ZINC000421901485 447272649 /nfs/dbraw/zinc/27/26/49/447272649.db2.gz RYNMNMAVZLHQKF-UONOGXRCSA-N 1 0 335.404 1.739 20 5 EDBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@H]1CCOC1 ZINC000494943234 447466385 /nfs/dbraw/zinc/46/63/85/447466385.db2.gz VCHUJZZYFMFSBC-GFCCVEGCSA-N 1 0 335.360 1.861 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000450597533 447535130 /nfs/dbraw/zinc/53/51/30/447535130.db2.gz PBMGXWDSCBSQNH-CYBMUJFWSA-N 1 0 337.376 1.640 20 5 EDBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000420014713 447546400 /nfs/dbraw/zinc/54/64/00/447546400.db2.gz LCDVOKRLFPMONB-AWEZNQCLSA-N 1 0 329.784 1.681 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000427637265 447626814 /nfs/dbraw/zinc/62/68/14/447626814.db2.gz FXQRAWXEPRSFHA-ZDUSSCGKSA-N 1 0 335.408 1.615 20 5 EDBDRO Cn1ccnc1C(=O)c1ccc(N2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420174155 447654113 /nfs/dbraw/zinc/65/41/13/447654113.db2.gz SRGVSVQCXOUIDC-NSHDSACASA-N 1 0 329.360 1.344 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCC[NH2+]Cc1cccnc1 ZINC000420182735 447659172 /nfs/dbraw/zinc/65/91/72/447659172.db2.gz KFTFIGPWQICZHK-UHFFFAOYSA-N 1 0 343.387 1.941 20 5 EDBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCC[C@H]1CC[NH2+]C1 ZINC000420189276 447661227 /nfs/dbraw/zinc/66/12/27/447661227.db2.gz OAJTYZMKUFMJCB-CQSZACIVSA-N 1 0 334.420 1.839 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000428524947 447707644 /nfs/dbraw/zinc/70/76/44/447707644.db2.gz XSZRVYBJRKTXOU-NEPJUHHUSA-N 1 0 338.412 1.025 20 5 EDBDRO O=C(c1ccc(NCC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000420215337 447674295 /nfs/dbraw/zinc/67/42/95/447674295.db2.gz LCFPLCHMZDHRRZ-CYBMUJFWSA-N 1 0 348.403 1.479 20 5 EDBDRO C[C@H](C[NH3+])Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000420236832 447682221 /nfs/dbraw/zinc/68/22/21/447682221.db2.gz IYNOEDXXEGTUGT-LLVKDONJSA-N 1 0 342.421 1.529 20 5 EDBDRO Cc1cc(N2CCC[C@@H](N3CCNCC3=O)C2)c(F)cc1[N+](=O)[O-] ZINC000420239637 447682541 /nfs/dbraw/zinc/68/25/41/447682541.db2.gz MJROVZZLLWKCFN-GFCCVEGCSA-N 1 0 336.367 1.443 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CCC(C[NH2+]C)CC2)cc([N+](=O)[O-])c1 ZINC000422809723 447755554 /nfs/dbraw/zinc/75/55/54/447755554.db2.gz QHNXWNFTAQBKPZ-UHFFFAOYSA-N 1 0 349.387 1.843 20 5 EDBDRO COc1cc(C(=O)NC[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1OC ZINC000525055347 447965549 /nfs/dbraw/zinc/96/55/49/447965549.db2.gz PZLSIPKGQFOWSD-LLVKDONJSA-N 1 0 337.376 1.684 20 5 EDBDRO C[C@H]1C[C@@H](N(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@@H+]1C ZINC000525032174 447966076 /nfs/dbraw/zinc/96/60/76/447966076.db2.gz VMQAOCVRUCMCJU-QWRGUYRKSA-N 1 0 335.360 1.878 20 5 EDBDRO C[C@H](CCCO)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576399314 448044967 /nfs/dbraw/zinc/04/49/67/448044967.db2.gz KHTHJKHDWSVRPO-GFCCVEGCSA-N 1 0 330.406 1.367 20 5 EDBDRO CC(C)N(C)C(=O)[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000577036583 448196087 /nfs/dbraw/zinc/19/60/87/448196087.db2.gz PQCSXGIYIRNXNT-CYBMUJFWSA-N 1 0 335.408 1.367 20 5 EDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000591294821 448310850 /nfs/dbraw/zinc/31/08/50/448310850.db2.gz GJHOISLSUINAFO-OLZOCXBDSA-N 1 0 333.392 1.655 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000591304844 448315677 /nfs/dbraw/zinc/31/56/77/448315677.db2.gz QYLCENSHQUZSBG-YPMHNXCESA-N 1 0 332.360 1.052 20 5 EDBDRO CNc1ccc(C(=O)Nc2ccn([C@@H]3CC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000515843278 448356479 /nfs/dbraw/zinc/35/64/79/448356479.db2.gz YEYLGUQFYIKTIX-LLVKDONJSA-N 1 0 330.348 1.620 20 5 EDBDRO C[C@@]1(F)C[NH2+]CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000591442225 448364583 /nfs/dbraw/zinc/36/45/83/448364583.db2.gz YZEPWFMVGWDYTD-LLVKDONJSA-N 1 0 333.161 1.890 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC000591447850 448365838 /nfs/dbraw/zinc/36/58/38/448365838.db2.gz APQRONQMRUKETH-RISCZKNCSA-N 1 0 334.376 1.226 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591447903 448366141 /nfs/dbraw/zinc/36/61/41/448366141.db2.gz CSEJJCJUJQHLLR-CJNGLKHVSA-N 1 0 332.404 1.916 20 5 EDBDRO C[C@@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000565371128 448366243 /nfs/dbraw/zinc/36/62/43/448366243.db2.gz BVDTWRIOHMCWRJ-RISCZKNCSA-N 1 0 343.387 1.993 20 5 EDBDRO O=C1[C@H](N2CC[C@H]3CC[NH2+][C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000591449319 448368127 /nfs/dbraw/zinc/36/81/27/448368127.db2.gz VCNLSDPIFKAFTI-UHOFOFEASA-N 1 0 330.388 1.384 20 5 EDBDRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1=O ZINC000577741609 448374875 /nfs/dbraw/zinc/37/48/75/448374875.db2.gz RXBDEJFFOFQYOP-JMSVASOKSA-N 1 0 346.387 1.522 20 5 EDBDRO COc1cccc(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)c1[N+](=O)[O-] ZINC000591681335 448448726 /nfs/dbraw/zinc/44/87/26/448448726.db2.gz IDFBNCIBFNLUID-UHFFFAOYSA-N 1 0 328.328 1.896 20 5 EDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])C1 ZINC000583762411 448462073 /nfs/dbraw/zinc/46/20/73/448462073.db2.gz UHRPUWTYVOOQNS-LBPRGKRZSA-N 1 0 335.408 1.835 20 5 EDBDRO CNc1nccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000566440336 448471844 /nfs/dbraw/zinc/47/18/44/448471844.db2.gz DTRPUMZXFYLQQV-YPMHNXCESA-N 1 0 333.392 1.588 20 5 EDBDRO COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)[NH+](C)C)c1 ZINC000516835882 448478132 /nfs/dbraw/zinc/47/81/32/448478132.db2.gz GMTFDZNLWGIGLJ-INIZCTEOSA-N 1 0 346.387 1.975 20 5 EDBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCCO1 ZINC000591753793 448481434 /nfs/dbraw/zinc/48/14/34/448481434.db2.gz KSHQXHUOAKBMFK-UONOGXRCSA-N 1 0 326.397 1.337 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCc3cc(O)ccc3C2)c1 ZINC000591763595 448484518 /nfs/dbraw/zinc/48/45/18/448484518.db2.gz MWHKTWMELFRZPO-CZUORRHYSA-N 1 0 332.360 1.005 20 5 EDBDRO O=C1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]2CCCCN12 ZINC000517025629 448526210 /nfs/dbraw/zinc/52/62/10/448526210.db2.gz ALHHQTJSQHICNC-MELADBBJSA-N 1 0 349.387 1.078 20 5 EDBDRO O=[N+]([O-])c1cc2c(nc1N1CC[NH+]([C@H]3CCC[C@H]3O)CC1)CCCC2 ZINC000591908567 448564982 /nfs/dbraw/zinc/56/49/82/448564982.db2.gz XJNROILZIWCGMZ-DOTOQJQBSA-N 1 0 346.431 1.904 20 5 EDBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000573264537 448583820 /nfs/dbraw/zinc/58/38/20/448583820.db2.gz BGKXGRYZSUIYBK-LBPRGKRZSA-N 1 0 335.408 1.812 20 5 EDBDRO Cc1cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])ccc1OCC[NH+](C)C ZINC000518123045 448646895 /nfs/dbraw/zinc/64/68/95/448646895.db2.gz KHNKSWWCYQDJPX-UHFFFAOYSA-N 1 0 333.348 1.819 20 5 EDBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1=CCCC1 ZINC000592124632 448697357 /nfs/dbraw/zinc/69/73/57/448697357.db2.gz HOXFNEYHSKBSPF-UHFFFAOYSA-N 1 0 339.417 1.915 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000592254266 448763556 /nfs/dbraw/zinc/76/35/56/448763556.db2.gz BCWSIKPWIHHQTI-OLZOCXBDSA-N 1 0 335.408 1.489 20 5 EDBDRO O=C(NCCc1nc([C@H]2CCC[NH2+]2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000592357101 448804386 /nfs/dbraw/zinc/80/43/86/448804386.db2.gz PLWMRHNKQRIWHC-GFCCVEGCSA-N 1 0 331.332 1.375 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000592381596 448813978 /nfs/dbraw/zinc/81/39/78/448813978.db2.gz YHGYWQBSCJLADR-TZMCWYRMSA-N 1 0 339.417 1.151 20 5 EDBDRO Cn1cc(C(C)(C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cn1 ZINC000546000539 448814453 /nfs/dbraw/zinc/81/44/53/448814453.db2.gz AWROMULYWLEVBJ-UHFFFAOYSA-N 1 0 343.387 1.742 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CCC(C)([NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000592331207 448794325 /nfs/dbraw/zinc/79/43/25/448794325.db2.gz ONMWUZMDCFSHGO-UHFFFAOYSA-N 1 0 335.360 1.725 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000592341946 448798279 /nfs/dbraw/zinc/79/82/79/448798279.db2.gz BLLZZMKMTLYRKP-JKSUJKDBSA-N 1 0 348.403 1.657 20 5 EDBDRO CNc1ccc(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000592342294 448799851 /nfs/dbraw/zinc/79/98/51/448799851.db2.gz WZDCXLMAXMKEIS-ZDUSSCGKSA-N 1 0 348.403 1.464 20 5 EDBDRO C[C@@H](C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000519740090 448830180 /nfs/dbraw/zinc/83/01/80/448830180.db2.gz OLTCWWLZWRQWJA-PBHICJAKSA-N 1 0 349.431 1.907 20 5 EDBDRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)NCc3cccc([N+](=O)[O-])c3)c21 ZINC000592483846 448855681 /nfs/dbraw/zinc/85/56/81/448855681.db2.gz DXPPTLGTAOZLSV-LBPRGKRZSA-N 1 0 329.360 1.557 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000592487566 448858015 /nfs/dbraw/zinc/85/80/15/448858015.db2.gz VAZNLFJAHFFMHF-AAEUAGOBSA-N 1 0 335.339 1.777 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000579934949 448913571 /nfs/dbraw/zinc/91/35/71/448913571.db2.gz LKLKTLXHDDUXMM-BETUJISGSA-N 1 0 334.376 1.510 20 5 EDBDRO CNc1ccc(C(=O)N(C)CCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000520359522 448888016 /nfs/dbraw/zinc/88/80/16/448888016.db2.gz KCCBWEZKPWKDBI-UHFFFAOYSA-N 1 0 349.435 1.346 20 5 EDBDRO C[C@H](CN1CCCCC1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000568618051 448895082 /nfs/dbraw/zinc/89/50/82/448895082.db2.gz HBKXDSCCZBPLIA-HUUCEWRRSA-N 1 0 337.420 1.799 20 5 EDBDRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000589161398 448979744 /nfs/dbraw/zinc/97/97/44/448979744.db2.gz YDKSEBJFWJXZKB-UKRRQHHQSA-N 1 0 341.433 1.445 20 5 EDBDRO Cc1c(CC(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588861936 448941912 /nfs/dbraw/zinc/94/19/12/448941912.db2.gz ZKYNVBGRVHWZMI-LSDHHAIUSA-N 1 0 333.388 1.113 20 5 EDBDRO CCc1ccc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588864002 448943036 /nfs/dbraw/zinc/94/30/36/448943036.db2.gz VTXUINDPORQELZ-GJZGRUSLSA-N 1 0 333.388 1.438 20 5 EDBDRO C[C@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C[N@@H+]1C1CC1 ZINC000589584217 449034889 /nfs/dbraw/zinc/03/48/89/449034889.db2.gz KFMPIFCFZWHNTG-WDEREUQCSA-N 1 0 345.403 1.822 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1cn2ccsc2n1 ZINC000574912064 448988854 /nfs/dbraw/zinc/98/88/54/448988854.db2.gz NXOOUMUKYRHZQY-GFCCVEGCSA-N 1 0 348.384 1.834 20 5 EDBDRO CCN1CC[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000522265441 449071322 /nfs/dbraw/zinc/07/13/22/449071322.db2.gz DHJIRVFXEOMJAW-UHFFFAOYSA-N 1 0 337.424 1.081 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000589930329 449083890 /nfs/dbraw/zinc/08/38/90/449083890.db2.gz WKOQFFUGQBRWFA-CHWSQXEVSA-N 1 0 339.417 1.536 20 5 EDBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1c(N)cccc1[N+](=O)[O-])CCO2 ZINC000592900348 449043724 /nfs/dbraw/zinc/04/37/24/449043724.db2.gz ZTXUQJFLPWSFED-UHFFFAOYSA-N 1 0 334.376 1.114 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000575175605 449054411 /nfs/dbraw/zinc/05/44/11/449054411.db2.gz BEVLEGXHAIUSMW-CPUCHLNUSA-N 1 0 336.388 1.882 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[C@H]3C[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000590010821 449096418 /nfs/dbraw/zinc/09/64/18/449096418.db2.gz ZOKMTNZFBQJPRR-LRDDRELGSA-N 1 0 348.403 1.568 20 5 EDBDRO Cc1c(NC(=O)CCN2CC[C@@H]3C[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590011756 449097417 /nfs/dbraw/zinc/09/74/17/449097417.db2.gz ORTVELYIJLKZOJ-CZUORRHYSA-N 1 0 332.404 1.868 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000590012821 449098451 /nfs/dbraw/zinc/09/84/51/449098451.db2.gz ZFOHESSJZRIQOC-JSGCOSHPSA-N 1 0 329.360 1.781 20 5 EDBDRO COc1ccc(CNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000593703493 449153224 /nfs/dbraw/zinc/15/32/24/449153224.db2.gz GGMWQHRETDNURN-GUYCJALGSA-N 1 0 348.403 1.874 20 5 EDBDRO CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[C@H]1CC[N@H+](C)C1 ZINC000597946943 449155171 /nfs/dbraw/zinc/15/51/71/449155171.db2.gz SVBDOXMFLCHNNB-AWEZNQCLSA-N 1 0 343.387 1.947 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)[C@H]2C1 ZINC000590443001 449163717 /nfs/dbraw/zinc/16/37/17/449163717.db2.gz CXGIYGIYMLZSNQ-MFKMUULPSA-N 1 0 333.344 1.142 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000604239845 449196746 /nfs/dbraw/zinc/19/67/46/449196746.db2.gz PKAQBPIGMQDJMG-KGLIPLIRSA-N 1 0 329.360 1.828 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000590592009 449208263 /nfs/dbraw/zinc/20/82/63/449208263.db2.gz YRJVNHHLGAQZBP-NSHDSACASA-N 1 0 345.396 1.757 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](c3ccccn3)C2)c1 ZINC000590602842 449216567 /nfs/dbraw/zinc/21/65/67/449216567.db2.gz YYGHKESAMOYROR-DZGCQCFKSA-N 1 0 331.376 1.427 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](c3ccccn3)C2)c1 ZINC000590602845 449217428 /nfs/dbraw/zinc/21/74/28/449217428.db2.gz YYGHKESAMOYROR-ZFWWWQNUSA-N 1 0 331.376 1.427 20 5 EDBDRO C[C@H](CCNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000597996320 449181696 /nfs/dbraw/zinc/18/16/96/449181696.db2.gz IQDVXNSHKXMKQQ-NEPJUHHUSA-N 1 0 336.392 1.170 20 5 EDBDRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000593238178 449182122 /nfs/dbraw/zinc/18/21/22/449182122.db2.gz AZZWQAPMAKIDKC-UHFFFAOYSA-N 1 0 336.392 1.627 20 5 EDBDRO CC[N@H+](CCCNC(=O)Cn1cnc([N+](=O)[O-])n1)C1CCCCC1 ZINC000593250490 449188126 /nfs/dbraw/zinc/18/81/26/449188126.db2.gz OOVLXXWYDYAQOZ-UHFFFAOYSA-N 1 0 338.412 1.347 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000590566486 449193654 /nfs/dbraw/zinc/19/36/54/449193654.db2.gz KFKFEEVWCWFZKQ-JQWIXIFHSA-N 1 0 337.376 1.777 20 5 EDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000590566696 449195128 /nfs/dbraw/zinc/19/51/28/449195128.db2.gz QKSVJVWSSQAOFV-GXTWGEPZSA-N 1 0 343.387 1.945 20 5 EDBDRO O=C(NCC12CC(C1)C[NH2+]2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595946990 449273325 /nfs/dbraw/zinc/27/33/25/449273325.db2.gz FVDYZURFMBTFRQ-UHFFFAOYSA-N 1 0 327.344 1.262 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601974097 449256490 /nfs/dbraw/zinc/25/64/90/449256490.db2.gz OFURWPVJGVXGAQ-TXEJJXNPSA-N 1 0 333.344 1.471 20 5 EDBDRO Cc1nn(CCC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c(C)c1[N+](=O)[O-] ZINC000601976126 449257213 /nfs/dbraw/zinc/25/72/13/449257213.db2.gz MYDNPZAEIXRGOJ-IYBDPMFKSA-N 1 0 335.408 1.256 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000595935859 449265178 /nfs/dbraw/zinc/26/51/78/449265178.db2.gz WEYMECKKGNQQFQ-ZDUSSCGKSA-N 1 0 335.408 1.489 20 5 EDBDRO CCn1cnnc1CC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000611335990 449265332 /nfs/dbraw/zinc/26/53/32/449265332.db2.gz CLVVBUKJNZPNOE-GFCCVEGCSA-N 1 0 346.391 1.756 20 5 EDBDRO CCOc1cc(C(=O)N2CC3CC2(C[NH3+])C3)c([N+](=O)[O-])cc1OC ZINC000595944254 449270417 /nfs/dbraw/zinc/27/04/17/449270417.db2.gz GFYDEOZHQIESPJ-UHFFFAOYSA-N 1 0 335.360 1.565 20 5 EDBDRO Cn1c(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1[N+](=O)[O-] ZINC000593919190 449286837 /nfs/dbraw/zinc/28/68/37/449286837.db2.gz NTYUMUVQZQGMHY-BZPMIXESSA-N 1 0 336.392 1.434 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC2CC1(C[NH3+])C2 ZINC000595965237 449287621 /nfs/dbraw/zinc/28/76/21/449287621.db2.gz AIYKEILBGMKFLE-YLTRJXTNSA-N 1 0 339.779 1.965 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000593935286 449296255 /nfs/dbraw/zinc/29/62/55/449296255.db2.gz ZXCZMGQRDMWVAW-NTZNESFSSA-N 1 0 334.376 1.051 20 5 EDBDRO C[C@@H](CCCCO)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000611519017 449318894 /nfs/dbraw/zinc/31/88/94/449318894.db2.gz OPKSLUYUOYJXNG-LBPRGKRZSA-N 1 0 345.421 1.014 20 5 EDBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593911118 449280518 /nfs/dbraw/zinc/28/05/18/449280518.db2.gz DECLNYXCTXMPHC-IIAWOOMASA-N 1 0 333.388 1.953 20 5 EDBDRO Cc1c(C(=O)NCCC2(C[NH3+])CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000593914421 449283749 /nfs/dbraw/zinc/28/37/49/449283749.db2.gz KSYGWDQNCUAALT-UHFFFAOYSA-N 1 0 344.375 1.343 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2c2ncc[nH]2)nc1 ZINC000593558696 449349080 /nfs/dbraw/zinc/34/90/80/449349080.db2.gz FOWLZFZJKWUOJM-NSHDSACASA-N 1 0 337.361 1.629 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)C1 ZINC000598342555 449356454 /nfs/dbraw/zinc/35/64/54/449356454.db2.gz KNXMVHPEXXUXEI-CQSZACIVSA-N 1 0 349.387 1.986 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000598342091 449356709 /nfs/dbraw/zinc/35/67/09/449356709.db2.gz DYGMSRYACVJXLB-JSGCOSHPSA-N 1 0 348.403 1.314 20 5 EDBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596120113 449373236 /nfs/dbraw/zinc/37/32/36/449373236.db2.gz HLMIRFGIVXDLAJ-CYBMUJFWSA-N 1 0 334.424 1.178 20 5 EDBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[N@@H+]1CCC[C@H](C)C1 ZINC000593532126 449328936 /nfs/dbraw/zinc/32/89/36/449328936.db2.gz WSTZWGOCWHXTGP-NWDGAFQWSA-N 1 0 342.421 1.389 20 5 EDBDRO COc1ccc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000598452282 449401748 /nfs/dbraw/zinc/40/17/48/449401748.db2.gz INXWTNPPSIQOMH-CQSZACIVSA-N 1 0 349.387 1.275 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC(CO)([NH2+]CC4CC4)CC3)nc2c1 ZINC000596266794 449446480 /nfs/dbraw/zinc/44/64/80/449446480.db2.gz VVJWQTGSOGODEE-UHFFFAOYSA-N 1 0 345.403 1.802 20 5 EDBDRO O=[N+]([O-])c1c(NCCC[NH+]2CCCC2)ncnc1N1CCOCC1 ZINC000598585342 449477146 /nfs/dbraw/zinc/47/71/46/449477146.db2.gz AUIVKLOLYNQYSA-UHFFFAOYSA-N 1 0 336.396 1.119 20 5 EDBDRO CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000600662604 449477797 /nfs/dbraw/zinc/47/77/97/449477797.db2.gz NIWYWEBNDNUFHR-SDDRHHMPSA-N 1 0 337.380 1.032 20 5 EDBDRO O=C(NCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)Nc1cccc([N+](=O)[O-])c1 ZINC000598665741 449527551 /nfs/dbraw/zinc/52/75/51/449527551.db2.gz ZPYZRSKDYCMBMX-YPMHNXCESA-N 1 0 347.375 1.069 20 5 EDBDRO COC(=O)c1cc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000598669939 449532347 /nfs/dbraw/zinc/53/23/47/449532347.db2.gz OHDWWMRCKYUWFV-MLGOLLRUSA-N 1 0 333.344 1.335 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000594484806 449548710 /nfs/dbraw/zinc/54/87/10/449548710.db2.gz VBHVOZSOJDKLML-CABCVRRESA-N 1 0 339.417 1.890 20 5 EDBDRO C[C@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000602435834 449585017 /nfs/dbraw/zinc/58/50/17/449585017.db2.gz VJPXYBJOPRDABT-QMMMGPOBSA-N 1 0 328.166 1.791 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)C[C@H](C)[NH2+]1 ZINC000602432216 449582827 /nfs/dbraw/zinc/58/28/27/449582827.db2.gz FGJRJKVXPMAFOQ-QWRGUYRKSA-N 1 0 347.350 1.742 20 5 EDBDRO CC(C)(C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCOCC1 ZINC000602438362 449586532 /nfs/dbraw/zinc/58/65/32/449586532.db2.gz IFLVIEOPUTWAJP-UHFFFAOYSA-N 1 0 349.435 1.223 20 5 EDBDRO C[NH2+]CCOCCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000600951058 449611971 /nfs/dbraw/zinc/61/19/71/449611971.db2.gz FYPDBKGHBKOYQO-UHFFFAOYSA-N 1 0 334.351 2.444 20 5 EDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C2 ZINC000600956569 449614911 /nfs/dbraw/zinc/61/49/11/449614911.db2.gz VGHCMDJKZXDFSR-GASCZTMLSA-N 1 0 339.417 1.434 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600957069 449616074 /nfs/dbraw/zinc/61/60/74/449616074.db2.gz LIEOVVDXWSNAQA-CQSZACIVSA-N 1 0 337.424 1.715 20 5 EDBDRO O=C(NC[C@H]1COCC[NH2+]1)c1ccc([N+](=O)[O-])cc1Br ZINC000602549005 449667781 /nfs/dbraw/zinc/66/77/81/449667781.db2.gz ARQZGPATKRVMBT-QMMMGPOBSA-N 1 0 344.165 1.076 20 5 EDBDRO CS[C@@H](CO)[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602557970 449673064 /nfs/dbraw/zinc/67/30/64/449673064.db2.gz PZVIMHLPNTZUCO-RISCZKNCSA-N 1 0 340.449 1.661 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ncccc3[N+](=O)[O-])CC[C@@H]21 ZINC000594765583 449677726 /nfs/dbraw/zinc/67/77/26/449677726.db2.gz XBEYXFHDEAGBQL-NEPJUHHUSA-N 1 0 340.405 1.095 20 5 EDBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H]1CN(C)CCO1 ZINC000602575492 449682954 /nfs/dbraw/zinc/68/29/54/449682954.db2.gz IJYXJTFLZJIXKP-XJKSGUPXSA-N 1 0 349.435 1.267 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000598916593 449645512 /nfs/dbraw/zinc/64/55/12/449645512.db2.gz COCANEXZZJDKRO-LBPRGKRZSA-N 1 0 332.360 1.324 20 5 EDBDRO CO[C@@]1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCOC1 ZINC000602615453 449706826 /nfs/dbraw/zinc/70/68/26/449706826.db2.gz CTVGFIIFHVFMKR-MRXNPFEDSA-N 1 0 336.392 1.354 20 5 EDBDRO CO[C@]1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCOC1 ZINC000602615451 449707183 /nfs/dbraw/zinc/70/71/83/449707183.db2.gz CTVGFIIFHVFMKR-INIZCTEOSA-N 1 0 336.392 1.354 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC[C@H](C)[NH+](C)C)c(C)cc1[N+](=O)[O-] ZINC000594820382 449729571 /nfs/dbraw/zinc/72/95/71/449729571.db2.gz DHXYZAOATZMUCY-LBPRGKRZSA-N 1 0 329.422 1.830 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)NCC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000594821922 449730775 /nfs/dbraw/zinc/73/07/75/449730775.db2.gz PVSBITIVDLLUDM-VIFPVBQESA-N 1 0 349.384 1.361 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)c(C)cc1[N+](=O)[O-] ZINC000599100888 449731500 /nfs/dbraw/zinc/73/15/00/449731500.db2.gz JGBYURRMODXGJA-CQSZACIVSA-N 1 0 339.417 1.775 20 5 EDBDRO C[C@@H](CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000594822678 449731736 /nfs/dbraw/zinc/73/17/36/449731736.db2.gz YOIRMCFVBGLJCE-LBPRGKRZSA-N 1 0 329.422 1.397 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000599100881 449731753 /nfs/dbraw/zinc/73/17/53/449731753.db2.gz JBXDMSGRMDVWTP-CYBMUJFWSA-N 1 0 327.406 1.522 20 5 EDBDRO CN1CC[NH+](CC2CN(c3ncc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000599104145 449735077 /nfs/dbraw/zinc/73/50/77/449735077.db2.gz FDZJQNGMUQESMU-UHFFFAOYSA-N 1 0 325.800 1.327 20 5 EDBDRO C[C@@H](CCCCO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612574222 449781088 /nfs/dbraw/zinc/78/10/88/449781088.db2.gz GZHQQTSJTJHNKQ-LBPRGKRZSA-N 1 0 330.406 1.509 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000599107208 449740523 /nfs/dbraw/zinc/74/05/23/449740523.db2.gz KJWXSHQGERXEPJ-WDEREUQCSA-N 1 0 347.368 1.161 20 5 EDBDRO C[C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617722423 449775808 /nfs/dbraw/zinc/77/58/08/449775808.db2.gz XBKDQLNTCOTCMM-JQFCIGGWSA-N 1 0 347.415 1.756 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000602797121 449816645 /nfs/dbraw/zinc/81/66/45/449816645.db2.gz GUPTZTULBUWRQD-CQSZACIVSA-N 1 0 338.408 1.617 20 5 EDBDRO CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CC[N@H+](C)C1 ZINC000595100895 449868548 /nfs/dbraw/zinc/86/85/48/449868548.db2.gz BZWMVEJHBQCVNP-ZDUSSCGKSA-N 1 0 334.376 1.394 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000601369461 449884257 /nfs/dbraw/zinc/88/42/57/449884257.db2.gz NREUVSYJORBAFF-SCZZXKLOSA-N 1 0 333.435 1.535 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000595192516 449935234 /nfs/dbraw/zinc/93/52/34/449935234.db2.gz JPCOMJVUDSDVAG-CYBMUJFWSA-N 1 0 334.376 1.442 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000601422809 449941570 /nfs/dbraw/zinc/94/15/70/449941570.db2.gz ZVWGDJCMAYCLTF-CHWSQXEVSA-N 1 0 341.433 1.925 20 5 EDBDRO CC1([NH+]2CCCC2)CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000602949282 449951636 /nfs/dbraw/zinc/95/16/36/449951636.db2.gz GSEQKEJERIYQFE-UHFFFAOYSA-N 1 0 334.420 1.707 20 5 EDBDRO CS[C@@H]1CN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000602950570 449952473 /nfs/dbraw/zinc/95/24/73/449952473.db2.gz FVDNHCFWNWASRE-VXGBXAGGSA-N 1 0 339.421 1.229 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000599412156 449957970 /nfs/dbraw/zinc/95/79/70/449957970.db2.gz GILPKGDLGKMDHZ-CYBMUJFWSA-N 1 0 341.433 1.913 20 5 EDBDRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000599415249 449961429 /nfs/dbraw/zinc/96/14/29/449961429.db2.gz LVYMQXLMFYAOCH-AWEZNQCLSA-N 1 0 341.433 1.746 20 5 EDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000609268877 449995993 /nfs/dbraw/zinc/99/59/93/449995993.db2.gz HCHRJCPEQRMIPA-ZDUSSCGKSA-N 1 0 336.392 1.234 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000609467501 450032272 /nfs/dbraw/zinc/03/22/72/450032272.db2.gz QTOXWSZSJLUWSS-HIFRSBDPSA-N 1 0 348.403 1.900 20 5 EDBDRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000595344190 450057824 /nfs/dbraw/zinc/05/78/24/450057824.db2.gz BDYCJNXXTPLBQA-SNVBAGLBSA-N 1 0 333.435 1.761 20 5 EDBDRO COc1cc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000597574630 450118365 /nfs/dbraw/zinc/11/83/65/450118365.db2.gz RFYOSPDTAFHOGC-INIZCTEOSA-N 1 0 337.376 1.132 20 5 EDBDRO COc1cc(Cn2cc([C@H]3CCC[NH2+]C3)nn2)c([N+](=O)[O-])cc1F ZINC000603237660 450165889 /nfs/dbraw/zinc/16/58/89/450165889.db2.gz LAZNIDFDAZXXSK-JTQLQIEISA-N 1 0 335.339 1.849 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000610264721 450175032 /nfs/dbraw/zinc/17/50/32/450175032.db2.gz MJLGODPNAMYBEY-RYUDHWBXSA-N 1 0 342.421 1.483 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000610069900 450135260 /nfs/dbraw/zinc/13/52/60/450135260.db2.gz WTXWEHVHCDRORN-LBPRGKRZSA-N 1 0 347.371 1.881 20 5 EDBDRO CC1CC[NH+](CC(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)CC1 ZINC000601776133 450233161 /nfs/dbraw/zinc/23/31/61/450233161.db2.gz GUOCZZRAFQSHGT-QGZVFWFLSA-N 1 0 335.404 1.650 20 5 EDBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)C1 ZINC000618584527 450253030 /nfs/dbraw/zinc/25/30/30/450253030.db2.gz SVLWKFUFZAZGHJ-CQSZACIVSA-N 1 0 344.419 1.687 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000619747970 450325476 /nfs/dbraw/zinc/32/54/76/450325476.db2.gz JCJRLBKXCOHRHY-IZZDOVSWSA-N 1 0 339.417 1.668 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000619476471 450484197 /nfs/dbraw/zinc/48/41/97/450484197.db2.gz YDZFPVRWYKOLLF-LLVKDONJSA-N 1 0 343.405 1.366 20 5 EDBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000619534967 450499888 /nfs/dbraw/zinc/49/98/88/450499888.db2.gz ZUFKLGLWQRHAQI-INIZCTEOSA-N 1 0 335.360 1.324 20 5 EDBDRO COC(=O)c1cc(C(=O)NCC23CCC[NH+]2CCC3)cc([N+](=O)[O-])c1 ZINC000619574000 450508855 /nfs/dbraw/zinc/50/88/55/450508855.db2.gz IWKWXCPLBDZITM-UHFFFAOYSA-N 1 0 347.371 1.740 20 5 EDBDRO Cc1cnc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000286310677 485510730 /nfs/dbraw/zinc/51/07/30/485510730.db2.gz IZDHSJLHIUJHDV-AGUYFDCRSA-N 1 0 347.419 1.794 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCc2nc3ccccc3[nH]2)c1 ZINC000516175104 486172888 /nfs/dbraw/zinc/17/28/88/486172888.db2.gz DOXNBKBBZZPUIK-ZDUSSCGKSA-N 1 0 344.375 1.251 20 5 EDBDRO O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC[NH+]2CCC1CC2 ZINC000368972887 491003562 /nfs/dbraw/zinc/00/35/62/491003562.db2.gz ICGVWRAKVUWFAL-UHFFFAOYSA-N 1 0 342.359 1.096 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000347497108 536454053 /nfs/dbraw/zinc/45/40/53/536454053.db2.gz LZHCXEAVNOORDR-NSHDSACASA-N 1 0 335.360 1.453 20 5 EDBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(CC)CC ZINC000249432810 535503213 /nfs/dbraw/zinc/50/32/13/535503213.db2.gz KBRUJUHTGHICGA-QLFBSQMISA-N 1 0 340.424 1.726 20 5 EDBDRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000262365248 535650279 /nfs/dbraw/zinc/65/02/79/535650279.db2.gz HPOLPIHPZSQGLK-YOEHRIQHSA-N 1 0 335.404 1.786 20 5 EDBDRO CNS(=O)(=O)c1ccc(NCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000347692079 536319324 /nfs/dbraw/zinc/31/93/24/536319324.db2.gz ZFJIIKOBHBOAQY-UHFFFAOYSA-N 1 0 342.421 1.401 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000237264643 536454368 /nfs/dbraw/zinc/45/43/68/536454368.db2.gz VAFRQDALWIYXBA-ZDUSSCGKSA-N 1 0 343.387 1.852 20 5 EDBDRO COC[C@@H](Cc1ccccc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248960425 536646235 /nfs/dbraw/zinc/64/62/35/536646235.db2.gz BCCUBAKBOIHZIB-WBVHZDCISA-N 1 0 348.403 1.342 20 5 EDBDRO COc1cc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc([N+](=O)[O-])c1OC ZINC000342756321 536891809 /nfs/dbraw/zinc/89/18/09/536891809.db2.gz RJZBFTWABZYRPQ-UHTWSYAYSA-N 1 0 349.387 1.811 20 5 EDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000742236721 579444109 /nfs/dbraw/zinc/44/41/09/579444109.db2.gz DUHOMHGMSSXZID-CYBMUJFWSA-N 1 0 343.387 1.995 20 5 EDBDRO C[NH+](C)CCOC1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000733157297 578744495 /nfs/dbraw/zinc/74/44/95/578744495.db2.gz YYHALYILJLPEOW-UHFFFAOYSA-N 1 0 336.392 1.360 20 5 EDBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736265351 578970139 /nfs/dbraw/zinc/97/01/39/578970139.db2.gz IHWSTPAHCGBNHN-MNOVXSKESA-N 1 0 346.395 1.702 20 5 EDBDRO CC(C)CN1CCO[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000749695267 579735778 /nfs/dbraw/zinc/73/57/78/579735778.db2.gz ZFUWZLXQJOWFJB-SJORKVTESA-N 1 0 337.420 1.575 20 5 EDBDRO Cc1nn(CN2CC[NH+](CC(C)C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749935852 579744220 /nfs/dbraw/zinc/74/42/20/579744220.db2.gz AEEAXIOIYCRYPH-UHFFFAOYSA-N 1 0 332.408 1.879 20 5 EDBDRO COCCOC[C@@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749962465 579745652 /nfs/dbraw/zinc/74/56/52/579745652.db2.gz WVNCGRVEQREQKR-CYBMUJFWSA-N 1 0 349.391 1.590 20 5 EDBDRO COC(=O)C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000754515762 579905022 /nfs/dbraw/zinc/90/50/22/579905022.db2.gz AQPVEVQFIYILGR-CQSZACIVSA-N 1 0 335.360 1.855 20 5 EDBDRO CC1=CC[N@H+](CCNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000762705902 580080811 /nfs/dbraw/zinc/08/08/11/580080811.db2.gz IOHRHDJEEXRYCX-UHFFFAOYSA-N 1 0 347.400 1.981 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCOC3(CCOCC3)CC2)cc1 ZINC000769229027 580231657 /nfs/dbraw/zinc/23/16/57/580231657.db2.gz TUPPCESVAUYMBN-INIZCTEOSA-N 1 0 336.388 1.900 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NCC[N@@H+]2CCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000773197324 580330194 /nfs/dbraw/zinc/33/01/94/580330194.db2.gz IGMZZHVPYXVVBS-LBPRGKRZSA-N 1 0 349.387 1.986 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NCC[N@@H+]2CCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000773197323 580330225 /nfs/dbraw/zinc/33/02/25/580330225.db2.gz IGMZZHVPYXVVBS-GFCCVEGCSA-N 1 0 349.387 1.986 20 5 EDBDRO CC(C)N1CCO[C@@H](C(=[NH2+])NOCc2c(F)cccc2[N+](=O)[O-])C1 ZINC000779654191 580493421 /nfs/dbraw/zinc/49/34/21/580493421.db2.gz ZEKIHSNSWOYUEC-CQSZACIVSA-N 1 0 340.355 1.842 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)n1 ZINC000779742754 580495957 /nfs/dbraw/zinc/49/59/57/580495957.db2.gz RFGPVFZZBWBZLQ-UHFFFAOYSA-N 1 0 344.375 1.332 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000780864768 580535424 /nfs/dbraw/zinc/53/54/24/580535424.db2.gz GKTMCZVWIMZHHM-LBPRGKRZSA-N 1 0 327.406 1.666 20 5 EDBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@]12CCCO2 ZINC000781424828 580549267 /nfs/dbraw/zinc/54/92/67/580549267.db2.gz ZLKQNNGYGYYSPN-NXOAAHMSSA-N 1 0 336.388 1.944 20 5 EDBDRO C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000783911063 580608141 /nfs/dbraw/zinc/60/81/41/580608141.db2.gz NDAFOWJKCCTKEO-HUUCEWRRSA-N 1 0 337.420 1.799 20 5 EDBDRO CNC(=O)[C@]1(C)CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000797416151 580975131 /nfs/dbraw/zinc/97/51/31/580975131.db2.gz YNNPCAHVDCWGCW-MRXNPFEDSA-N 1 0 331.376 1.668 20 5 EDBDRO C[C@@H]1C[N@H+](CCCOC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCO1 ZINC000893388892 590828837 /nfs/dbraw/zinc/82/88/37/590828837.db2.gz IQSSCHAZWCEPNV-GFCCVEGCSA-N 1 0 340.380 1.180 20 5 EDBDRO CN1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@H+](C)CC1 ZINC000888982012 590929961 /nfs/dbraw/zinc/92/99/61/590929961.db2.gz AXKSASKISSICMK-DLBZAZTESA-N 1 0 346.431 1.404 20 5 EDBDRO Cc1ccc(CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000892536733 591064474 /nfs/dbraw/zinc/06/44/74/591064474.db2.gz JZSCXEZKTDEXFC-HNNXBMFYSA-N 1 0 347.419 1.092 20 5 EDBDRO COc1cc([N+](=O)[O-])cnc1N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000892561029 591072611 /nfs/dbraw/zinc/07/26/11/591072611.db2.gz LPWDQCPGFAXLRJ-CYBMUJFWSA-N 1 0 335.408 1.215 20 5 EDBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)C1 ZINC000892986467 591247045 /nfs/dbraw/zinc/24/70/45/591247045.db2.gz WSPRZARPHOPNDD-OAHLLOKOSA-N 1 0 343.387 1.664 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000841205252 591314212 /nfs/dbraw/zinc/31/42/12/591314212.db2.gz BYAXYGVPAAVONC-RKDXNWHRSA-N 1 0 340.767 1.382 20 5 EDBDRO CCO[C@H](CNc1cc(OC)c(OC)cc1[N+](=O)[O-])C[NH+](C)C ZINC000896118514 591350564 /nfs/dbraw/zinc/35/05/64/591350564.db2.gz ZWZPYVKXXWRFMO-LLVKDONJSA-N 1 0 327.381 1.991 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C1C[NH+](C2CCOCC2)C1 ZINC000896279593 591407741 /nfs/dbraw/zinc/40/77/41/591407741.db2.gz BYEJRMPGNUMWKA-UHFFFAOYSA-N 1 0 349.387 1.201 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896533691 591499009 /nfs/dbraw/zinc/49/90/09/591499009.db2.gz IYICLUMXYKSMJY-XJKSGUPXSA-N 1 0 334.420 1.576 20 5 EDBDRO C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@H+](C)CCN1C ZINC000895245762 591677958 /nfs/dbraw/zinc/67/79/58/591677958.db2.gz ICAHLBFUDNYZOB-NHYWBVRUSA-N 1 0 330.392 1.584 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c1 ZINC000895247833 591680569 /nfs/dbraw/zinc/68/05/69/591680569.db2.gz WZWBACWHTGUWNP-IAQYHMDHSA-N 1 0 336.392 1.428 20 5 EDBDRO O=C1N(CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C[C@@H]2CCCCN12 ZINC000895343552 591722002 /nfs/dbraw/zinc/72/20/02/591722002.db2.gz KGJDSFWXAYUDCT-MOKVOYLWSA-N 1 0 348.407 1.375 20 5 EDBDRO COc1cc(C[N@H+]2C[C@H]3CN(C(C)=O)C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000895576823 591806449 /nfs/dbraw/zinc/80/64/49/591806449.db2.gz SGINARVXBZJQSQ-OKILXGFUSA-N 1 0 349.387 1.522 20 5 EDBDRO O=C(N1CCC[C@@]12CC[NH2+]C2)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000900486488 592031873 /nfs/dbraw/zinc/03/18/73/592031873.db2.gz CSURUAHRTPTLFR-AWEZNQCLSA-N 1 0 341.314 1.921 20 5 EDBDRO CO[C@@H]1CC[C@H]1N(C)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000902635696 592033089 /nfs/dbraw/zinc/03/30/89/592033089.db2.gz BDWWJLPKXFNKMU-HZPDHXFCSA-N 1 0 346.387 1.922 20 5 EDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000903588317 592223429 /nfs/dbraw/zinc/22/34/29/592223429.db2.gz IVIUCTVYWRHLDU-UHFFFAOYSA-N 1 0 329.422 1.830 20 5 EDBDRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000903575233 592226549 /nfs/dbraw/zinc/22/65/49/592226549.db2.gz JVEGPMQQUTYNJD-ZDUSSCGKSA-N 1 0 341.433 1.974 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CCC[C@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000903863437 592349565 /nfs/dbraw/zinc/34/95/65/592349565.db2.gz LXJIVGIGQNMCOW-QGZVFWFLSA-N 1 0 348.403 1.760 20 5 EDBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905427952 592531823 /nfs/dbraw/zinc/53/18/23/592531823.db2.gz PUSPHPNIYICQRH-GFCCVEGCSA-N 1 0 345.193 1.723 20 5 EDBDRO C[NH+]1CCC2(CCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000907851251 592814599 /nfs/dbraw/zinc/81/45/99/592814599.db2.gz QWXPXTYHRQYBOG-UHFFFAOYSA-N 1 0 325.390 1.454 20 5 EDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1 ZINC000912261619 593080464 /nfs/dbraw/zinc/08/04/64/593080464.db2.gz IKZOXZBTHOGDOG-VNQPRFMTSA-N 1 0 333.388 1.758 20 5 EDBDRO CN(C)c1cc(F)c(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000816953694 593563300 /nfs/dbraw/zinc/56/33/00/593563300.db2.gz MFIITCGFQONNMJ-BMIGLBTASA-N 1 0 336.367 1.576 20 5 EDBDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000817288004 593589352 /nfs/dbraw/zinc/58/93/52/593589352.db2.gz GKXWBCXFDPKCKK-ZYHUDNBSSA-N 1 0 325.340 1.908 20 5 EDBDRO Cn1ncc(CCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000815640306 593645248 /nfs/dbraw/zinc/64/52/48/593645248.db2.gz UOBYEPDRWKVNPM-KGLIPLIRSA-N 1 0 333.396 1.626 20 5 EDBDRO C[C@@H]1C[C@@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C[NH3+] ZINC000818023593 593658671 /nfs/dbraw/zinc/65/86/71/593658671.db2.gz IYILNHSMJCXIOH-UTUOFQBUSA-N 1 0 339.367 1.945 20 5 EDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000818563617 593704986 /nfs/dbraw/zinc/70/49/86/593704986.db2.gz PVWFFMMRXQDAOZ-QWHCGFSZSA-N 1 0 348.403 1.241 20 5 EDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cn(CCC[NH3+])nn1)CC2 ZINC000818608400 593707621 /nfs/dbraw/zinc/70/76/21/593707621.db2.gz CATVHYDOIWZOEM-UHFFFAOYSA-N 1 0 330.348 1.046 20 5 EDBDRO COC(=O)N1CCC(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819307650 593749808 /nfs/dbraw/zinc/74/98/08/593749808.db2.gz CEYVDGJUXXTCAG-HNNXBMFYSA-N 1 0 337.376 1.696 20 5 EDBDRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000819361745 593751845 /nfs/dbraw/zinc/75/18/45/593751845.db2.gz QXWFQZUBPQFABH-BMFZPTHFSA-N 1 0 346.387 1.872 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000819911118 593776435 /nfs/dbraw/zinc/77/64/35/593776435.db2.gz GPEXEZAGHPFUOJ-GXSJLCMTSA-N 1 0 331.419 1.371 20 5 EDBDRO CC(C)(C)[N@@H+]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000819921819 593777196 /nfs/dbraw/zinc/77/71/96/593777196.db2.gz BASMZYJNTOVJEK-UHFFFAOYSA-N 1 0 346.395 1.481 20 5 EDBDRO Cc1cc(Cl)c(C(=O)NCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000820110004 593791944 /nfs/dbraw/zinc/79/19/44/593791944.db2.gz MELVEQQFVDPQDO-UHFFFAOYSA-N 1 0 340.811 1.534 20 5 EDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000825172226 594141979 /nfs/dbraw/zinc/14/19/79/594141979.db2.gz LTLYTQGIXBVRFN-CYBMUJFWSA-N 1 0 325.340 1.617 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@@H]3COCC[NH2+]3)n2)c1 ZINC000823089252 594151406 /nfs/dbraw/zinc/15/14/06/594151406.db2.gz SIUXPNHMSDHRCQ-LLVKDONJSA-N 1 0 334.332 1.108 20 5 EDBDRO CN(CC[N@H+](C)CCO)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000825527444 594197600 /nfs/dbraw/zinc/19/76/00/594197600.db2.gz ONGVXANUDJIVKP-UHFFFAOYSA-N 1 0 343.811 1.563 20 5 EDBDRO C[NH+]1CCC(C)(CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000826021906 594308090 /nfs/dbraw/zinc/30/80/90/594308090.db2.gz DOABJWQWAAPLKP-UHFFFAOYSA-N 1 0 332.368 1.314 20 5 EDBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1[NH+](C)C ZINC000826226565 594386632 /nfs/dbraw/zinc/38/66/32/594386632.db2.gz BRDGTIXFRJRTFJ-CHWSQXEVSA-N 1 0 349.420 1.257 20 5 EDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826965921 594612438 /nfs/dbraw/zinc/61/24/38/594612438.db2.gz DUQZAXDEFGOIDW-LSDHHAIUSA-N 1 0 339.392 1.101 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)CC[C@@H]21 ZINC000827354224 594663927 /nfs/dbraw/zinc/66/39/27/594663927.db2.gz GYFOZAHFHMOUAV-PWSUYJOCSA-N 1 0 333.344 1.490 20 5 EDBDRO CN1CC[NH+](C2CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC2)CC1 ZINC000827435077 594671785 /nfs/dbraw/zinc/67/17/85/594671785.db2.gz AGEWRKWHSKQISG-UHFFFAOYSA-N 1 0 326.441 1.060 20 5 EDBDRO CCO[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000831777323 594702199 /nfs/dbraw/zinc/70/21/99/594702199.db2.gz WWMRPHVJBXASAQ-CYBMUJFWSA-N 1 0 341.433 1.770 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841216501 594869880 /nfs/dbraw/zinc/86/98/80/594869880.db2.gz HJXLBGRTMWOVFA-QPUJVOFHSA-N 1 0 340.767 1.301 20 5 EDBDRO C/C(=C/C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000836866841 595007931 /nfs/dbraw/zinc/00/79/31/595007931.db2.gz FFLOHPQODXIHIV-SWLLGXJJSA-N 1 0 347.415 1.912 20 5 EDBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000842250990 595055170 /nfs/dbraw/zinc/05/51/70/595055170.db2.gz MPCXCGDHZKMGNQ-AWEZNQCLSA-N 1 0 329.784 1.681 20 5 EDBDRO C[C@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000843351811 595083685 /nfs/dbraw/zinc/08/36/85/595083685.db2.gz FDDNANZQLXBMAY-UWVGGRQHSA-N 1 0 326.784 1.869 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCO1 ZINC000843356890 595086394 /nfs/dbraw/zinc/08/63/94/595086394.db2.gz GMKKFWKJQSKJNU-OQPBUACISA-N 1 0 345.758 1.504 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCO1 ZINC000843357099 595086434 /nfs/dbraw/zinc/08/64/34/595086434.db2.gz CJSCXMUWWPXUHM-BLLLJJGKSA-N 1 0 348.403 1.383 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000842485032 595120674 /nfs/dbraw/zinc/12/06/74/595120674.db2.gz IAUYPAZSVAEFOL-HNNXBMFYSA-N 1 0 339.417 1.728 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000843479392 595124725 /nfs/dbraw/zinc/12/47/25/595124725.db2.gz PBBLPYOWUAFQRJ-CYBMUJFWSA-N 1 0 334.332 1.683 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1[N+](=O)[O-] ZINC000843483814 595125404 /nfs/dbraw/zinc/12/54/04/595125404.db2.gz ZUDRZSZDLGTFIQ-TXEJJXNPSA-N 1 0 348.359 1.883 20 5 EDBDRO [NH3+]CCCCCCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000843511165 595138013 /nfs/dbraw/zinc/13/80/13/595138013.db2.gz FEIGGDLTRPMMPT-UHFFFAOYSA-N 1 0 332.364 1.424 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000842789002 595199383 /nfs/dbraw/zinc/19/93/83/595199383.db2.gz NZCYCASATQCOMC-VHSXEESVSA-N 1 0 347.824 1.914 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CC2(CC([NH3+])C2)C1 ZINC000842795684 595202270 /nfs/dbraw/zinc/20/22/70/595202270.db2.gz ULJJRSJHWWVMDY-UHFFFAOYSA-N 1 0 341.389 1.152 20 5 EDBDRO Cc1c(C(=O)N[C@@H](CC[NH3+])C(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000834830577 595225151 /nfs/dbraw/zinc/22/51/51/595225151.db2.gz LHFIJKVGYIHXKQ-VIFPVBQESA-N 1 0 332.263 1.524 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H](O)c2ccccn2)c1 ZINC000843091743 595285101 /nfs/dbraw/zinc/28/51/01/595285101.db2.gz ANMMXXDOFASVRN-XJKSGUPXSA-N 1 0 333.344 1.053 20 5 EDBDRO C[C@H]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H]1CC[NH3+] ZINC000846692967 595302983 /nfs/dbraw/zinc/30/29/83/595302983.db2.gz CNPMCBBLIGMMCE-SWLSCSKDSA-N 1 0 345.403 1.920 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857765397 595599995 /nfs/dbraw/zinc/59/99/95/595599995.db2.gz QBYURLMIGPDETG-JTQLQIEISA-N 1 0 329.303 1.634 20 5 EDBDRO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000853589075 595817306 /nfs/dbraw/zinc/81/73/06/595817306.db2.gz KYDABVCYBOATLZ-VYDXJSESSA-N 1 0 345.399 1.837 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000858632644 595851352 /nfs/dbraw/zinc/85/13/52/595851352.db2.gz PMONBSUXFMEPJU-UWVGGRQHSA-N 1 0 347.824 1.975 20 5 EDBDRO CO[C@@H]1CC[C@H]([NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000852094293 596041902 /nfs/dbraw/zinc/04/19/02/596041902.db2.gz XKQXHFSZEOHCAE-UONOGXRCSA-N 1 0 333.388 1.920 20 5 EDBDRO CC(C)[C@@H]([NH3+])c1noc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000857254684 596199269 /nfs/dbraw/zinc/19/92/69/596199269.db2.gz LDBXXWYLEXYRJT-GFCCVEGCSA-N 1 0 334.336 1.955 20 5 EDBDRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000859880719 596214639 /nfs/dbraw/zinc/21/46/39/596214639.db2.gz UENGHDLZOWPIQQ-VYDXJSESSA-N 1 0 345.355 1.849 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC000866823146 596365966 /nfs/dbraw/zinc/36/59/66/596365966.db2.gz FQXAITDZCBJLJV-STQMWFEESA-N 1 0 339.417 1.727 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866826931 596368196 /nfs/dbraw/zinc/36/81/96/596368196.db2.gz FNQJCDUSYZCTDV-WDEREUQCSA-N 1 0 345.808 1.763 20 5 EDBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866828358 596369068 /nfs/dbraw/zinc/36/90/68/596369068.db2.gz WJPDDEZBXAAQNP-GHMZBOCLSA-N 1 0 329.353 1.249 20 5 EDBDRO C[C@](N)(C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000870879792 596387426 /nfs/dbraw/zinc/38/74/26/596387426.db2.gz NVLKNENQWOVHIF-NVXWUHKLSA-N 1 0 332.404 1.465 20 5 EDBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865414353 596567189 /nfs/dbraw/zinc/56/71/89/596567189.db2.gz PSVBBIHQUVZJSX-CYBMUJFWSA-N 1 0 341.383 1.995 20 5 EDBDRO CN(CCOCC[NH3+])CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000863555340 596617079 /nfs/dbraw/zinc/61/70/79/596617079.db2.gz QPPDXVNWTQMILM-UHFFFAOYSA-N 1 0 330.772 1.094 20 5 EDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000869785775 596637011 /nfs/dbraw/zinc/63/70/11/596637011.db2.gz DMLAIJSWRKNEMW-PODYEWJSSA-N 1 0 333.388 1.569 20 5 EDBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2cccnc2)c(N)c([N+](=O)[O-])c1 ZINC000120847241 596756511 /nfs/dbraw/zinc/75/65/11/596756511.db2.gz KVSWGVXIXVUHST-UHFFFAOYSA-N 1 0 343.387 1.790 20 5 EDBDRO COCCN1CC[C@@H]([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866262457 596841133 /nfs/dbraw/zinc/84/11/33/596841133.db2.gz ABAAWVNRQOBUOR-IUODEOHRSA-N 1 0 325.384 1.975 20 5 EDBDRO CC1(C)CO[C@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000872243604 596851392 /nfs/dbraw/zinc/85/13/92/596851392.db2.gz QRTJOFSSPHAEPK-ZDUSSCGKSA-N 1 0 342.417 1.773 20 5 EDBDRO O=C(C[NH2+][C@]12CCC[C@H]1OCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000872314876 596878915 /nfs/dbraw/zinc/87/89/15/596878915.db2.gz QTYWPROLBKTNMS-WBVHZDCISA-N 1 0 331.372 1.785 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000872781316 597065223 /nfs/dbraw/zinc/06/52/23/597065223.db2.gz RUWGFECQIXPXEY-OLZOCXBDSA-N 1 0 334.376 1.758 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c([N+](=O)[O-])cc1OC ZINC000874847263 597198651 /nfs/dbraw/zinc/19/86/51/597198651.db2.gz NOMNBRGBQAKTMU-OLZOCXBDSA-N 1 0 349.387 1.921 20 5 EDBDRO [NH3+]C[C@@H]1[C@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1(F)F ZINC000876874722 597365020 /nfs/dbraw/zinc/36/50/20/597365020.db2.gz JJPBXXHBTCIPRJ-DGCLKSJQSA-N 1 0 325.315 1.926 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H](O)C(F)(F)F)CC2)cn1 ZINC000876966913 597400959 /nfs/dbraw/zinc/40/09/59/597400959.db2.gz ZBUBDUNYFYWOAV-NSHDSACASA-N 1 0 334.298 1.471 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877285862 597486786 /nfs/dbraw/zinc/48/67/86/597486786.db2.gz ZCLDZRYCAQUDMR-ZIAGYGMSSA-N 1 0 329.360 1.297 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877368347 597502897 /nfs/dbraw/zinc/50/28/97/597502897.db2.gz HQTRSPJSJUGNPV-KWQFWETISA-N 1 0 347.293 1.813 20 5 EDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000877720935 597551062 /nfs/dbraw/zinc/55/10/62/597551062.db2.gz XGHKOBWLQPNLTQ-GQIURRLGSA-N 1 0 329.356 1.545 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CC4(CO3)CCOCC4)C2)c1 ZINC000877727267 597551694 /nfs/dbraw/zinc/55/16/94/597551694.db2.gz ACPMJXNPPLZOQV-PIMMBPRGSA-N 1 0 336.392 1.670 20 5 EDBDRO CC(C)(O)[C@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000879961692 597785383 /nfs/dbraw/zinc/78/53/83/597785383.db2.gz FEFBBBXHUWHWOA-AWEZNQCLSA-N 1 0 347.415 1.967 20 5 EDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000880083175 597836258 /nfs/dbraw/zinc/83/62/58/597836258.db2.gz QSJYFCWZEHNDPT-AWEZNQCLSA-N 1 0 345.359 1.749 20 5 EDBDRO CC(C)(O)[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000880147091 597856585 /nfs/dbraw/zinc/85/65/85/597856585.db2.gz ZDFHUNALLXXODY-ZDUSSCGKSA-N 1 0 333.388 1.577 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1 ZINC000880582504 597970308 /nfs/dbraw/zinc/97/03/08/597970308.db2.gz OVIVHZKGXNYSNL-JKSUJKDBSA-N 1 0 336.388 1.492 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)c1 ZINC000880582852 597970410 /nfs/dbraw/zinc/97/04/10/597970410.db2.gz SIADTAXCDSZMEU-HOTGVXAUSA-N 1 0 336.388 1.492 20 5 EDBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH+]3CCCC3)C2)c(-c2nn[nH]n2)c1 ZINC000738370953 598499754 /nfs/dbraw/zinc/49/97/54/598499754.db2.gz YLDBUURNVPKMMP-NSHDSACASA-N 1 0 344.379 1.235 20 5 EDBDRO C[NH+](C)C1CC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000916955815 696850969 /nfs/dbraw/zinc/85/09/69/696850969.db2.gz LKKUFTMSABOWQG-UHFFFAOYSA-N 1 0 333.797 1.619 20 5 EDBDRO CCCc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001031662553 697439499 /nfs/dbraw/zinc/43/94/99/697439499.db2.gz HQJASOOWDAZEJW-IAGOWNOFSA-N 1 0 331.416 1.852 20 5 EDBDRO Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC000940108772 700221135 /nfs/dbraw/zinc/22/11/35/700221135.db2.gz JYGONTMLHKGJOW-CHWSQXEVSA-N 1 0 338.433 1.587 20 5 EDBDRO CCc1nocc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000940107333 700218771 /nfs/dbraw/zinc/21/87/71/700218771.db2.gz IUPVIMCRWZUMLN-TZMCWYRMSA-N 1 0 336.392 1.373 20 5 EDBDRO C[NH+]1CCN(CCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000071819014 702918881 /nfs/dbraw/zinc/91/88/81/702918881.db2.gz JYOCPRRWGDHUOJ-UHFFFAOYSA-N 1 0 340.811 1.616 20 5 EDBDRO Cn1cncc1C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000996774344 703064228 /nfs/dbraw/zinc/06/42/28/703064228.db2.gz CBJQCLGGOQKHJX-UHFFFAOYSA-N 1 0 343.387 1.723 20 5 EDBDRO Cc1n[nH]nc1C(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000996869228 703141462 /nfs/dbraw/zinc/14/14/62/703141462.db2.gz CGJULYSANYACHL-UHFFFAOYSA-N 1 0 344.375 1.416 20 5 EDBDRO CC(C)n1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000997775653 704677138 /nfs/dbraw/zinc/67/71/38/704677138.db2.gz KKNRFNTZSTVQBB-HZPDHXFCSA-N 1 0 349.435 1.457 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000558690653 306244358 /nfs/dbraw/zinc/24/43/58/306244358.db2.gz ZXDAUBKLTWDYNI-KGLIPLIRSA-N 1 0 334.420 1.450 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cccc([N+](=O)[O-])c1N ZINC000366453924 282225196 /nfs/dbraw/zinc/22/51/96/282225196.db2.gz WBOHPLRWAFKCJC-ZLDLUXBVSA-N 1 0 348.403 1.501 20 5 EDBDRO O=C(NCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccco1 ZINC000559983484 306260190 /nfs/dbraw/zinc/26/01/90/306260190.db2.gz IFVJDVLFLIQJJF-QWHCGFSZSA-N 1 0 347.375 1.888 20 5 EDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000561552239 306289288 /nfs/dbraw/zinc/28/92/88/306289288.db2.gz INMMEASIVOPAQA-NWDGAFQWSA-N 1 0 340.405 1.237 20 5 EDBDRO C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181647581 234267274 /nfs/dbraw/zinc/26/72/74/234267274.db2.gz HDLRBUXARKGQFB-CHWSQXEVSA-N 1 0 335.408 1.561 20 5 EDBDRO CC[N@@H+]1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000412852328 304041756 /nfs/dbraw/zinc/04/17/56/304041756.db2.gz WZCCMNMFXYIQDG-GFCCVEGCSA-N 1 0 344.371 1.732 20 5 EDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563443099 306333421 /nfs/dbraw/zinc/33/34/21/306333421.db2.gz VZKHSQRQOXYCET-HUUCEWRRSA-N 1 0 348.403 1.126 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000041663430 138103409 /nfs/dbraw/zinc/10/34/09/138103409.db2.gz YWSFOWGAKVCXAX-CYBMUJFWSA-N 1 0 348.403 1.832 20 5 EDBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000185136035 235593728 /nfs/dbraw/zinc/59/37/28/235593728.db2.gz VCCWHHPRAPXVOP-MAZHCROVSA-N 1 0 332.404 1.983 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081290570 138265963 /nfs/dbraw/zinc/26/59/63/138265963.db2.gz HXCJEDYIXKSRGG-AWEZNQCLSA-N 1 0 335.408 1.480 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000131289530 138356520 /nfs/dbraw/zinc/35/65/20/138356520.db2.gz DBHPVSJDRZROAW-UHFFFAOYSA-N 1 0 342.399 1.969 20 5 EDBDRO Cc1cc(Sc2nnnn2C[C@@H]2CC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC000131935030 138368320 /nfs/dbraw/zinc/36/83/20/138368320.db2.gz XIJDMCWXJCAMPX-SNVBAGLBSA-N 1 0 335.393 1.388 20 5 EDBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000132309520 138374862 /nfs/dbraw/zinc/37/48/62/138374862.db2.gz QTSMTVOSJCLYQI-CYBMUJFWSA-N 1 0 336.392 1.137 20 5 EDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000186982072 236086517 /nfs/dbraw/zinc/08/65/17/236086517.db2.gz VFLPJGPXMITJOD-LLVKDONJSA-N 1 0 336.392 1.094 20 5 EDBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])c2nonc21)[NH+]1CCN(C)CC1 ZINC000298422762 202314186 /nfs/dbraw/zinc/31/41/86/202314186.db2.gz LDSOAHNCSKSYAJ-AWEZNQCLSA-N 1 0 348.407 1.815 20 5 EDBDRO Cn1cc(C[NH2+]CCN2CCCC2=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000565098638 306375529 /nfs/dbraw/zinc/37/55/29/306375529.db2.gz MXHAHGLTJWUARQ-UHFFFAOYSA-N 1 0 343.387 1.707 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000112918888 201066587 /nfs/dbraw/zinc/06/65/87/201066587.db2.gz ZXCUTZAVMACYON-UHFFFAOYSA-N 1 0 335.408 1.585 20 5 EDBDRO CC[C@@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1cccc([N+](=O)[O-])c1 ZINC000414346820 304109182 /nfs/dbraw/zinc/10/91/82/304109182.db2.gz GLWDPJMFWAWZGP-CQSZACIVSA-N 1 0 346.391 1.806 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH+](C)C)cc1C ZINC000414460949 304116201 /nfs/dbraw/zinc/11/62/01/304116201.db2.gz DULVICSSIQZOKY-STQMWFEESA-N 1 0 341.433 1.973 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000566092692 306398714 /nfs/dbraw/zinc/39/87/14/306398714.db2.gz DMYOPCDRLWAAPF-GXTWGEPZSA-N 1 0 332.335 1.639 20 5 EDBDRO [NH3+]CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 ZINC000566203166 306403525 /nfs/dbraw/zinc/40/35/25/306403525.db2.gz VVSKSLSTEPIXOW-UHFFFAOYSA-N 1 0 348.403 1.242 20 5 EDBDRO CC[NH+](CC)CCCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000192038420 138933746 /nfs/dbraw/zinc/93/37/46/138933746.db2.gz ZQIMBDHGBKRLLO-UHFFFAOYSA-N 1 0 330.410 1.386 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1OC ZINC000193517611 138971544 /nfs/dbraw/zinc/97/15/44/138971544.db2.gz VLUNAXQIPGRLOB-ZYHUDNBSSA-N 1 0 337.376 1.872 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000110066331 204301462 /nfs/dbraw/zinc/30/14/62/204301462.db2.gz WVDYAENFQMNTJB-GFCCVEGCSA-N 1 0 344.371 1.603 20 5 EDBDRO C[NH2+]CC1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000237086604 139040197 /nfs/dbraw/zinc/04/01/97/139040197.db2.gz QWPGTQTXOVVHTB-UHFFFAOYSA-N 1 0 343.387 1.852 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000237318806 139047736 /nfs/dbraw/zinc/04/77/36/139047736.db2.gz UPPZBBGTAYJNKM-MFKMUULPSA-N 1 0 343.405 1.351 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000237414165 139050520 /nfs/dbraw/zinc/05/05/20/139050520.db2.gz QKYZVVTWSXFUCW-QWRGUYRKSA-N 1 0 325.340 1.699 20 5 EDBDRO Cc1c(C(=O)N2CCC(C[NH3+])CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000237735089 139059135 /nfs/dbraw/zinc/05/91/35/139059135.db2.gz FEAJYZJPNPMXBG-UHFFFAOYSA-N 1 0 344.375 1.295 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237753963 139059672 /nfs/dbraw/zinc/05/96/72/139059672.db2.gz IJKHAVBZEQYPNG-AAEUAGOBSA-N 1 0 327.406 1.699 20 5 EDBDRO O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000237916526 139063741 /nfs/dbraw/zinc/06/37/41/139063741.db2.gz HITMYWKNDKPBSB-UHFFFAOYSA-N 1 0 333.266 1.581 20 5 EDBDRO O=C(C1CC[NH2+]CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000238104956 139069118 /nfs/dbraw/zinc/06/91/18/139069118.db2.gz QIBZIMMNRZDKDD-UHFFFAOYSA-N 1 0 333.388 1.964 20 5 EDBDRO CC(C)CC[C@@H](O)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000567710318 306460274 /nfs/dbraw/zinc/46/02/74/306460274.db2.gz IXHMOHFFJNQICH-CQSZACIVSA-N 1 0 344.433 1.755 20 5 EDBDRO CNC(=O)CCC[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000155305383 206001639 /nfs/dbraw/zinc/00/16/39/206001639.db2.gz DPMLRDAPFYULHM-UHFFFAOYSA-N 1 0 342.783 1.645 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000415283360 304185148 /nfs/dbraw/zinc/18/51/48/304185148.db2.gz OHQLHVNPQDCRIK-LBPRGKRZSA-N 1 0 348.403 1.554 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000262484580 291601013 /nfs/dbraw/zinc/60/10/13/291601013.db2.gz KGHVLEJRXMVHBC-PWSUYJOCSA-N 1 0 327.406 1.509 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000415314933 304192338 /nfs/dbraw/zinc/19/23/38/304192338.db2.gz YNIYBPICZDAIBC-UHFFFAOYSA-N 1 0 334.376 1.293 20 5 EDBDRO CCc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000160207180 206285332 /nfs/dbraw/zinc/28/53/32/206285332.db2.gz LMTQZVVAXZYYAK-HNNXBMFYSA-N 1 0 335.404 1.734 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(OCCC[NH3+])CC2)c1 ZINC000162156968 206388830 /nfs/dbraw/zinc/38/88/30/206388830.db2.gz QSNNGVRGRMQOLR-UHFFFAOYSA-N 1 0 337.376 1.573 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+](CC)C1CC1 ZINC000102932928 206390379 /nfs/dbraw/zinc/39/03/79/206390379.db2.gz BBRBYJQQXUYQEQ-UHFFFAOYSA-N 1 0 341.433 1.920 20 5 EDBDRO C[C@H](CN1CCCCC1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000568618049 306485218 /nfs/dbraw/zinc/48/52/18/306485218.db2.gz HBKXDSCCZBPLIA-CABCVRRESA-N 1 0 337.420 1.799 20 5 EDBDRO COc1ccc(OCC(=O)NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000247923967 139155664 /nfs/dbraw/zinc/15/56/64/139155664.db2.gz POYHTLJBIBWRPL-UHFFFAOYSA-N 1 0 349.387 1.725 20 5 EDBDRO CN(CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1[N+](=O)[O-] ZINC000248202173 139159478 /nfs/dbraw/zinc/15/94/78/139159478.db2.gz ZATCUUUXSMFCBW-HUUCEWRRSA-N 1 0 346.431 1.974 20 5 EDBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000248418097 139162846 /nfs/dbraw/zinc/16/28/46/139162846.db2.gz KAZYOGFPTWCGHB-UTUOFQBUSA-N 1 0 335.408 1.668 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)C[C@H]12 ZINC000248569652 139167583 /nfs/dbraw/zinc/16/75/83/139167583.db2.gz CJZKBWGTDUXSLT-FRRDWIJNSA-N 1 0 341.371 1.590 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000261622403 139211990 /nfs/dbraw/zinc/21/19/90/139211990.db2.gz CHMBEZXYJPZWOX-GHMZBOCLSA-N 1 0 343.405 1.209 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261774358 139224943 /nfs/dbraw/zinc/22/49/43/139224943.db2.gz RCVCAZNOVHOYQA-WDEREUQCSA-N 1 0 343.405 1.351 20 5 EDBDRO COCC1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000261810783 139228075 /nfs/dbraw/zinc/22/80/75/139228075.db2.gz GMSWHHHQXWMODO-UHFFFAOYSA-N 1 0 341.795 1.994 20 5 EDBDRO CN(C)S(=O)(=O)c1ccc(NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000261847775 139231294 /nfs/dbraw/zinc/23/12/94/139231294.db2.gz JDKASUANPQRHLE-LLVKDONJSA-N 1 0 342.421 1.399 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000261910458 139236133 /nfs/dbraw/zinc/23/61/33/139236133.db2.gz XNJKONFLGPXCRO-VXGBXAGGSA-N 1 0 337.376 1.568 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000261935972 139238461 /nfs/dbraw/zinc/23/84/61/139238461.db2.gz UBQWRZYDDICDCD-IACUBPJLSA-N 1 0 339.417 1.651 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000261966446 139240485 /nfs/dbraw/zinc/24/04/85/139240485.db2.gz PMUZQXYHUWSLJF-SNVBAGLBSA-N 1 0 347.824 1.835 20 5 EDBDRO COCC1(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261970236 139240891 /nfs/dbraw/zinc/24/08/91/139240891.db2.gz YXSWLZOBKNJFQG-UHFFFAOYSA-N 1 0 341.795 1.994 20 5 EDBDRO COc1cc(CN[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414879338 250874910 /nfs/dbraw/zinc/87/49/10/250874910.db2.gz INWJYEDCQZGLIR-SNVBAGLBSA-N 1 0 331.319 1.699 20 5 EDBDRO COC(=O)c1ccc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174724483 207050845 /nfs/dbraw/zinc/05/08/45/207050845.db2.gz MSRNTWLFBCIALJ-HNNXBMFYSA-N 1 0 348.359 1.071 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000112511643 207084443 /nfs/dbraw/zinc/08/44/43/207084443.db2.gz MACLKRRRHSPWRD-ZWNOBZJWSA-N 1 0 343.405 1.351 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000175084045 207091617 /nfs/dbraw/zinc/09/16/17/207091617.db2.gz DBEWKRWFYPCNHM-VHSXEESVSA-N 1 0 333.435 1.807 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000417174381 251145346 /nfs/dbraw/zinc/14/53/46/251145346.db2.gz IDFMDYYKLGNECP-GFCCVEGCSA-N 1 0 336.392 1.744 20 5 EDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262379217 139274785 /nfs/dbraw/zinc/27/47/85/139274785.db2.gz MSAROVPVQDCPMW-NEPJUHHUSA-N 1 0 329.360 1.590 20 5 EDBDRO CO[C@@H]1CCN(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000417993941 251319632 /nfs/dbraw/zinc/31/96/32/251319632.db2.gz YIBMBFWVLMLGBX-RWMBFGLXSA-N 1 0 336.392 1.804 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC[C@@H]1CCC[NH2+]C1 ZINC000418079526 251321115 /nfs/dbraw/zinc/32/11/15/251321115.db2.gz AIBKDMKUPJCJDI-SNVBAGLBSA-N 1 0 332.364 1.270 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@](C)(C[NH3+])C2CC2)cc1OC ZINC000569567866 306510924 /nfs/dbraw/zinc/51/09/24/306510924.db2.gz MPJGDVRITIOWMN-INIZCTEOSA-N 1 0 337.376 1.859 20 5 EDBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@H]1C ZINC000262917074 139312670 /nfs/dbraw/zinc/31/26/70/139312670.db2.gz ZADFOOCZMMMCRG-NEPJUHHUSA-N 1 0 329.360 1.603 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000415604432 304237432 /nfs/dbraw/zinc/23/74/32/304237432.db2.gz BQWIMXHQSCTDAK-HZMBPMFUSA-N 1 0 334.376 1.210 20 5 EDBDRO Cc1nn(CCC(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)c(C)c1[N+](=O)[O-] ZINC000424240724 252175806 /nfs/dbraw/zinc/17/58/06/252175806.db2.gz PJGVZCIRLQGDIK-LBPRGKRZSA-N 1 0 349.435 1.789 20 5 EDBDRO CCOc1cc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000262976753 139316390 /nfs/dbraw/zinc/31/63/90/139316390.db2.gz YFAOQMUHRGAPSX-QWRGUYRKSA-N 1 0 337.376 1.872 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000178894540 207549386 /nfs/dbraw/zinc/54/93/86/207549386.db2.gz XTUXNKBMQNDINA-CYBMUJFWSA-N 1 0 339.417 1.819 20 5 EDBDRO CC1(CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000181279027 207911305 /nfs/dbraw/zinc/91/13/05/207911305.db2.gz JNUXXRSXEVQGDP-UHFFFAOYSA-N 1 0 344.375 1.295 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415679590 304254880 /nfs/dbraw/zinc/25/48/80/304254880.db2.gz PHKOWCSYZSJZNY-GZMMTYOYSA-N 1 0 340.767 1.443 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000415723383 304261537 /nfs/dbraw/zinc/26/15/37/304261537.db2.gz LKMQXEHLXGIIDC-QGZVFWFLSA-N 1 0 346.387 1.444 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000415729589 304262054 /nfs/dbraw/zinc/26/20/54/304262054.db2.gz SNWBYPABEXSIQL-INIZCTEOSA-N 1 0 332.360 1.135 20 5 EDBDRO CN1CC[NH+](CCCCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000490578441 255093359 /nfs/dbraw/zinc/09/33/59/255093359.db2.gz XSUJVRZIADZULX-FPLPWBNLSA-N 1 0 346.431 1.752 20 5 EDBDRO C[N@H+](CCCO)C1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000492290597 255168084 /nfs/dbraw/zinc/16/80/84/255168084.db2.gz UWEUTRCUBRWBGK-FPLPWBNLSA-N 1 0 347.415 1.913 20 5 EDBDRO Cn1cc([C@@H]2CN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C[C@H]2[NH3+])cn1 ZINC000493259765 255200013 /nfs/dbraw/zinc/20/00/13/255200013.db2.gz BHDGDJYLRTXKRN-DZEZYYDTSA-N 1 0 341.371 1.295 20 5 EDBDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000495564249 255301614 /nfs/dbraw/zinc/30/16/14/255301614.db2.gz IWFTYSATARSYFQ-OLZOCXBDSA-N 1 0 339.396 1.638 20 5 EDBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCn1cccn1 ZINC000117341111 221055573 /nfs/dbraw/zinc/05/55/73/221055573.db2.gz RYIGZTJMYBCGTP-UHFFFAOYSA-N 1 0 345.359 1.721 20 5 EDBDRO C[N@H+](CCCO)C1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000270393125 140091360 /nfs/dbraw/zinc/09/13/60/140091360.db2.gz SVLSQLZSLZKXHD-UHFFFAOYSA-N 1 0 335.404 1.443 20 5 EDBDRO CC[C@H](CO)[NH+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)CC1 ZINC000270510089 140114098 /nfs/dbraw/zinc/11/40/98/140114098.db2.gz LGLBKTULDRJTNN-GFCCVEGCSA-N 1 0 346.387 1.605 20 5 EDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@]2(N3CCOCC3)CCCOC2)cc1 ZINC000378145964 296504109 /nfs/dbraw/zinc/50/41/09/296504109.db2.gz COFCSTMNJDQZEF-QGZVFWFLSA-N 1 0 335.404 1.566 20 5 EDBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1O ZINC000270971694 140210628 /nfs/dbraw/zinc/21/06/28/140210628.db2.gz WGQRSNCNYUKGHV-RISCZKNCSA-N 1 0 337.376 1.635 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000271147215 140246155 /nfs/dbraw/zinc/24/61/55/140246155.db2.gz WSIWTRRWXKHIHF-AWEZNQCLSA-N 1 0 341.433 1.493 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCn2cc(CO)nn2)n1 ZINC000353573990 296518633 /nfs/dbraw/zinc/51/86/33/296518633.db2.gz IVLXYZLALOKVQR-UONOGXRCSA-N 1 0 349.395 1.039 20 5 EDBDRO O=C(N1CCCC1)[C@@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000344793509 143012551 /nfs/dbraw/zinc/01/25/51/143012551.db2.gz WFMMBROVYOCSDB-QGZVFWFLSA-N 1 0 333.388 1.544 20 5 EDBDRO CO[C@H]1C[C@H](CN(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)[N@H+](C)C1 ZINC000345144377 143056887 /nfs/dbraw/zinc/05/68/87/143056887.db2.gz ZDNVGKIVLFQANK-OLZOCXBDSA-N 1 0 334.376 1.887 20 5 EDBDRO COc1c(C(=O)NCCC[N@H+](C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000345406728 143087501 /nfs/dbraw/zinc/08/75/01/143087501.db2.gz LIUZSLGVCCKWKL-UHFFFAOYSA-N 1 0 338.408 1.217 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000346198771 143178093 /nfs/dbraw/zinc/17/80/93/143178093.db2.gz RNHGMSUFQFWMCN-WFASDCNBSA-N 1 0 338.429 1.940 20 5 EDBDRO Cn1cc([C@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]2C(N)=O)cn1 ZINC000346860519 143252631 /nfs/dbraw/zinc/25/26/31/143252631.db2.gz AANWATGVDWZUGW-NEPJUHHUSA-N 1 0 347.350 1.168 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000369689484 155136606 /nfs/dbraw/zinc/13/66/06/155136606.db2.gz ZOAOAKCBZHXTSL-CVEARBPZSA-N 1 0 333.388 1.195 20 5 EDBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000352680877 149115010 /nfs/dbraw/zinc/11/50/10/149115010.db2.gz KMVWSBHWVHLFKB-FBGPFPDVSA-N 1 0 348.399 1.690 20 5 EDBDRO C[C@H]1CSC[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000352802123 149171994 /nfs/dbraw/zinc/17/19/94/149171994.db2.gz LONMQNKSNJLNFX-WCBMZHEXSA-N 1 0 339.373 1.603 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CSC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000352819187 149179767 /nfs/dbraw/zinc/17/97/67/149179767.db2.gz VVRCAVQMHPQJAV-CABZTGNLSA-N 1 0 325.390 1.883 20 5 EDBDRO O=C1NC(=O)C2(CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3F)CC2)N1 ZINC000353088242 149281602 /nfs/dbraw/zinc/28/16/02/149281602.db2.gz PCENZZUYQJOOHI-UHFFFAOYSA-N 1 0 336.323 1.344 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCCOCC2)cc1[N+](=O)[O-] ZINC000353238253 149334300 /nfs/dbraw/zinc/33/43/00/149334300.db2.gz PJOTZNWUTUPNAK-CYBMUJFWSA-N 1 0 338.360 1.805 20 5 EDBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2n[nH]cc2c1 ZINC000353284397 149351494 /nfs/dbraw/zinc/35/14/94/149351494.db2.gz DVDPBEAXEZXZEN-HZMBPMFUSA-N 1 0 330.348 1.379 20 5 EDBDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000353403321 149393259 /nfs/dbraw/zinc/39/32/59/149393259.db2.gz LTVOUGRKABYYBD-GJZGRUSLSA-N 1 0 341.433 1.897 20 5 EDBDRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000353484129 149424750 /nfs/dbraw/zinc/42/47/50/149424750.db2.gz QBCDHYFVGAMJRY-NOLJZWGESA-N 1 0 347.419 1.637 20 5 EDBDRO C[NH+](C)CCOc1ccc(CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000354998601 150070574 /nfs/dbraw/zinc/07/05/74/150070574.db2.gz WOPBOFOHWFYTIZ-UHFFFAOYSA-N 1 0 346.387 1.836 20 5 EDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000355441652 150269077 /nfs/dbraw/zinc/26/90/77/150269077.db2.gz IQKNKZVTQXIZPG-INIZCTEOSA-N 1 0 347.415 1.851 20 5 EDBDRO COC[C@H](C)[N@H+](C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355595204 150329184 /nfs/dbraw/zinc/32/91/84/150329184.db2.gz GERLDACXLKCBQE-NSHDSACASA-N 1 0 326.349 1.613 20 5 EDBDRO CC[NH+](CC)CCO[C@@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355751440 150386491 /nfs/dbraw/zinc/38/64/91/150386491.db2.gz WDOMYCJNIQSBQP-CYBMUJFWSA-N 1 0 325.413 1.261 20 5 EDBDRO COc1cc(N2CCC[C@@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])cc1F ZINC000261779363 286228933 /nfs/dbraw/zinc/22/89/33/286228933.db2.gz XSUPEHVVKBBXRD-SNVBAGLBSA-N 1 0 340.355 1.034 20 5 EDBDRO Cc1nn(CCC(=O)N2CCC3(CC[NH2+]CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000357874975 151180852 /nfs/dbraw/zinc/18/08/52/151180852.db2.gz LQLKTTLKRXPPSJ-UHFFFAOYSA-N 1 0 349.435 1.790 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1-c1nc(CC2=[NH+][C@@H]3CCCC[C@H]3N2)no1 ZINC000357953537 151208811 /nfs/dbraw/zinc/20/88/11/151208811.db2.gz GGFRUKOAPIZADP-RKDXNWHRSA-N 1 0 331.336 1.234 20 5 EDBDRO O=[N+]([O-])c1ccn(Cc2nc(CC3=[NH+][C@@H]4CCCC[C@H]4N3)no2)n1 ZINC000357955291 151208888 /nfs/dbraw/zinc/20/88/88/151208888.db2.gz WXVZRTWARUEXRL-NXEZZACHSA-N 1 0 331.336 1.078 20 5 EDBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000357965942 151214302 /nfs/dbraw/zinc/21/43/02/151214302.db2.gz UBOCGPXVXMCNGZ-FRRDWIJNSA-N 1 0 335.408 1.806 20 5 EDBDRO C[N@@H+]1CC[C@@](O)(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000358128754 151281800 /nfs/dbraw/zinc/28/18/00/151281800.db2.gz COXIZBOBWIXQCI-MRXNPFEDSA-N 1 0 348.428 1.875 20 5 EDBDRO Cn1cc(CNC[C@]2(O)CC[N@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000358164745 151292172 /nfs/dbraw/zinc/29/21/72/151292172.db2.gz KBPYELMGJFYRBV-QGZVFWFLSA-N 1 0 345.403 1.152 20 5 EDBDRO O=C(CC[N@@H+]1CCc2n[nH]c(=O)cc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000360448101 152048768 /nfs/dbraw/zinc/04/87/68/152048768.db2.gz YUZNMLKRTMAOLQ-UHFFFAOYSA-N 1 0 343.343 1.477 20 5 EDBDRO O=C(CN1CC[C@]2(CC[NH2+]C2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000360545055 152089343 /nfs/dbraw/zinc/08/93/43/152089343.db2.gz KYTMYTMEUVOGJH-HNNXBMFYSA-N 1 0 338.795 1.872 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000370152933 155351339 /nfs/dbraw/zinc/35/13/39/155351339.db2.gz WNJCHHXTFIPLFP-UNEWFSDZSA-N 1 0 335.404 1.361 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000364208973 153174193 /nfs/dbraw/zinc/17/41/93/153174193.db2.gz MPMSAFOKRBWRNH-UONOGXRCSA-N 1 0 347.350 1.192 20 5 EDBDRO [NH3+]C1(C(=O)NCCc2ccccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000364250361 153186769 /nfs/dbraw/zinc/18/67/69/153186769.db2.gz MZQXXFNXCSGKRH-UHFFFAOYSA-N 1 0 325.368 1.750 20 5 EDBDRO COc1ccc(CNC(=O)N2CCC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000417199011 304383747 /nfs/dbraw/zinc/38/37/47/304383747.db2.gz SIXZTCXJAAZLGH-LBPRGKRZSA-N 1 0 336.392 1.874 20 5 EDBDRO COCCC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000364985850 153391230 /nfs/dbraw/zinc/39/12/30/153391230.db2.gz DDFMYJNKCZGFQW-UHFFFAOYSA-N 1 0 336.392 1.361 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3)C2)n1 ZINC000367395942 154105326 /nfs/dbraw/zinc/10/53/26/154105326.db2.gz DZAJEBMHXQQEFS-AWEZNQCLSA-N 1 0 343.387 1.723 20 5 EDBDRO O=C1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C2CC2)N1 ZINC000370284246 155416648 /nfs/dbraw/zinc/41/66/48/155416648.db2.gz ATUOIGXBMJBQFI-GDBMZVCRSA-N 1 0 347.371 1.608 20 5 EDBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000368376276 154530695 /nfs/dbraw/zinc/53/06/95/154530695.db2.gz LTYCIBHVZQBGPV-AWEZNQCLSA-N 1 0 342.359 1.047 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@@H]2O)c1 ZINC000374066004 157127524 /nfs/dbraw/zinc/12/75/24/157127524.db2.gz DDTIUJBDFJXIMA-WCXIOVBPSA-N 1 0 336.388 1.490 20 5 EDBDRO C[C@@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000374152900 157167477 /nfs/dbraw/zinc/16/74/77/157167477.db2.gz CLJWQONKFXCOJE-RHSMWYFYSA-N 1 0 334.420 1.436 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000374628479 157349452 /nfs/dbraw/zinc/34/94/52/157349452.db2.gz YYNWUOAWPRHWQS-ZWKOPEQDSA-N 1 0 329.360 1.671 20 5 EDBDRO CN1CC[NH+](CC2(C)CCN(c3ncc([N+](=O)[O-])cn3)CC2)CC1 ZINC000376927206 157851825 /nfs/dbraw/zinc/85/18/25/157851825.db2.gz NGJNMPQZDPPBIY-UHFFFAOYSA-N 1 0 334.424 1.239 20 5 EDBDRO CCOC(=O)COCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000352365245 162142501 /nfs/dbraw/zinc/14/25/01/162142501.db2.gz PHRKHYFFKZKADC-UHFFFAOYSA-N 1 0 326.353 1.008 20 5 EDBDRO COc1ccc(NC(=O)CN2CCCC[C@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000352510982 162222224 /nfs/dbraw/zinc/22/22/24/162222224.db2.gz PTKWQNPDIZLZSM-LBPRGKRZSA-N 1 0 336.392 1.745 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000418083732 304455855 /nfs/dbraw/zinc/45/58/55/304455855.db2.gz MUWHNNSBHFFRJP-NXEZZACHSA-N 1 0 332.364 1.540 20 5 EDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418082533 304456035 /nfs/dbraw/zinc/45/60/35/304456035.db2.gz JIMLKCGPJOTFFU-MWLCHTKSSA-N 1 0 332.364 1.398 20 5 EDBDRO CN(CC[NH+]1CCCC1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000089900285 287324755 /nfs/dbraw/zinc/32/47/55/287324755.db2.gz UVNDDOOZTYMSCA-UHFFFAOYSA-N 1 0 332.404 1.512 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000237397332 273009585 /nfs/dbraw/zinc/00/95/85/273009585.db2.gz QCECWVPVAZLLIN-RISCZKNCSA-N 1 0 327.406 1.626 20 5 EDBDRO CC[C@H]([NH3+])C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000236930061 267920976 /nfs/dbraw/zinc/92/09/76/267920976.db2.gz PMJVINAATJNZCN-STQMWFEESA-N 1 0 337.376 1.831 20 5 EDBDRO Cc1c(NC(=O)CC[NH2+][C@H](CO)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000274012209 268097352 /nfs/dbraw/zinc/09/73/52/268097352.db2.gz KYZZUMVZKGSOML-CQSZACIVSA-N 1 0 347.375 1.289 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000275478128 268348688 /nfs/dbraw/zinc/34/86/88/268348688.db2.gz NDHVHUMBJLEFMD-UHFFFAOYSA-N 1 0 327.406 1.666 20 5 EDBDRO COC[C@](C)([NH3+])CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC ZINC000279408592 268834971 /nfs/dbraw/zinc/83/49/71/268834971.db2.gz JGGWQPLJOMEFMC-CYBMUJFWSA-N 1 0 331.756 1.811 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000277270490 273185513 /nfs/dbraw/zinc/18/55/13/273185513.db2.gz RQEUVEUDQJWODC-GJZGRUSLSA-N 1 0 337.420 1.751 20 5 EDBDRO C[NH2+]C(C)(C)CNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000277277491 273186481 /nfs/dbraw/zinc/18/64/81/273186481.db2.gz SAKJOVBMOFNHJN-UHFFFAOYSA-N 1 0 338.364 1.809 20 5 EDBDRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000278911532 273270557 /nfs/dbraw/zinc/27/05/57/273270557.db2.gz ZMFOROJBMIQBFY-ZLDLUXBVSA-N 1 0 337.376 1.705 20 5 EDBDRO COc1ccccc1-n1nccc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000281409413 273470121 /nfs/dbraw/zinc/47/01/21/273470121.db2.gz IEAOAHDCUNJKGY-UHFFFAOYSA-N 1 0 342.359 1.775 20 5 EDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)CCc2cccc([N+](=O)[O-])c2)[N@H+](C)C1 ZINC000284541515 274238710 /nfs/dbraw/zinc/23/87/10/274238710.db2.gz GAPODJSKWDVCMJ-HOTGVXAUSA-N 1 0 335.404 1.705 20 5 EDBDRO CCOc1cc(CN2CCO[C@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000284818522 274345024 /nfs/dbraw/zinc/34/50/24/274345024.db2.gz LMTHXFDRFBSGBE-HOTGVXAUSA-N 1 0 335.404 1.898 20 5 EDBDRO C[N@@H+]1CCO[C@H]2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C[C@@H]21 ZINC000284860625 274362689 /nfs/dbraw/zinc/36/26/89/274362689.db2.gz FIAJXSXHIAVQSR-RYUDHWBXSA-N 1 0 346.309 1.918 20 5 EDBDRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000285418549 274535902 /nfs/dbraw/zinc/53/59/02/274535902.db2.gz GNWSXGHQMSEQCJ-OCCSQVGLSA-N 1 0 341.433 1.792 20 5 EDBDRO C[NH+](C)C1CCN(CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000255513713 287842168 /nfs/dbraw/zinc/84/21/68/287842168.db2.gz OBQQAOOJSMAVCQ-YVMONPNESA-N 1 0 346.431 1.750 20 5 EDBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000123457689 275936357 /nfs/dbraw/zinc/93/63/57/275936357.db2.gz JSZQLPRSJNMYGE-UHFFFAOYSA-N 1 0 333.385 1.695 20 5 EDBDRO CCNC(=O)[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000339319412 276263302 /nfs/dbraw/zinc/26/33/02/276263302.db2.gz GAPXSHYDHWXHPA-SWLSCSKDSA-N 1 0 339.392 1.085 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000420213701 277028658 /nfs/dbraw/zinc/02/86/58/277028658.db2.gz QIPJBTOHXKDZAY-AWEZNQCLSA-N 1 0 348.403 1.255 20 5 EDBDRO CO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C[NH3+])C1 ZINC000359251364 277654250 /nfs/dbraw/zinc/65/42/50/277654250.db2.gz XEZZQJLKZJQFRA-GHMZBOCLSA-N 1 0 327.768 1.827 20 5 EDBDRO C[C@@H]([NH2+]CC(=O)N1CCOC[C@@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000371542152 278337840 /nfs/dbraw/zinc/33/78/40/278337840.db2.gz IIMAMYUJHWJWFT-MLGOLLRUSA-N 1 0 333.388 1.883 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)c1C ZINC000170873683 278745088 /nfs/dbraw/zinc/74/50/88/278745088.db2.gz GRCGLJPAEFYIAK-GFCCVEGCSA-N 1 0 327.406 1.536 20 5 EDBDRO O=C(CC1CC[NH2+]CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000238131076 279747659 /nfs/dbraw/zinc/74/76/59/279747659.db2.gz IKMVWTDYNFELLO-UHFFFAOYSA-N 1 0 332.404 1.633 20 5 EDBDRO Cc1c(C(=O)N2CC[NH2+][C@H](C)[C@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000262868706 280208066 /nfs/dbraw/zinc/20/80/66/280208066.db2.gz UUBGDTVSCCMGLO-GHMZBOCLSA-N 1 0 344.375 1.306 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000368630544 280396209 /nfs/dbraw/zinc/39/62/09/280396209.db2.gz DVSFASWHFOQGFT-CQSZACIVSA-N 1 0 339.417 1.632 20 5 EDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@@H](C[NH+]3CCOCC3)C2)s1 ZINC000287519359 288256548 /nfs/dbraw/zinc/25/65/48/288256548.db2.gz ZUTVYJINCBAQNE-NSHDSACASA-N 1 0 349.416 1.758 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000420416068 280654637 /nfs/dbraw/zinc/65/46/37/280654637.db2.gz BUTSHGGJXNURJG-STQMWFEESA-N 1 0 339.417 1.442 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000450894199 281259934 /nfs/dbraw/zinc/25/99/34/281259934.db2.gz ULPDWYJJPZFDIK-AWEZNQCLSA-N 1 0 332.404 1.694 20 5 EDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000086468649 288328687 /nfs/dbraw/zinc/32/86/87/288328687.db2.gz GGHLHSDMGZEDSO-DTWKUNHWSA-N 1 0 333.797 1.619 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000289645540 288751491 /nfs/dbraw/zinc/75/14/91/288751491.db2.gz LFGYASJUKYBTNS-AWEZNQCLSA-N 1 0 336.392 1.182 20 5 EDBDRO C[C@@H](CCCC[NH3+])NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000292079744 289256363 /nfs/dbraw/zinc/25/63/63/289256363.db2.gz LYVQAATWWISYLK-NSHDSACASA-N 1 0 332.364 1.423 20 5 EDBDRO Cc1ccc(NC(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)cc1[N+](=O)[O-] ZINC000292482363 289359623 /nfs/dbraw/zinc/35/96/23/289359623.db2.gz BULQPDAJLXCARX-TZMCWYRMSA-N 1 0 336.392 1.822 20 5 EDBDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000419148271 304571465 /nfs/dbraw/zinc/57/14/65/304571465.db2.gz KEJRNEJYHKFYKO-VXGBXAGGSA-N 1 0 336.392 1.406 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000419279980 304585895 /nfs/dbraw/zinc/58/58/95/304585895.db2.gz WMWDQAKJQYVRLP-YVEFUNNKSA-N 1 0 348.403 1.278 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000123024366 298995556 /nfs/dbraw/zinc/99/55/56/298995556.db2.gz ZRYZBFNJEJOYGD-GXSJLCMTSA-N 1 0 331.369 1.624 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000173248952 300216839 /nfs/dbraw/zinc/21/68/39/300216839.db2.gz MRGHULXGOCSPOJ-JQWIXIFHSA-N 1 0 345.396 1.695 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000419762742 304681937 /nfs/dbraw/zinc/68/19/37/304681937.db2.gz SRHXJOXGOZYVRK-NHYWBVRUSA-N 1 0 348.403 1.105 20 5 EDBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000419979445 304719885 /nfs/dbraw/zinc/71/98/85/304719885.db2.gz POTBWWGDRAJGMJ-ZMSDIMECSA-N 1 0 335.404 1.517 20 5 EDBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cc([N+](=O)[O-])nn2C)o1 ZINC000356472702 301580611 /nfs/dbraw/zinc/58/06/11/301580611.db2.gz ZUZUCSFYSSFCCQ-UHFFFAOYSA-N 1 0 335.364 1.434 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000293760862 303014503 /nfs/dbraw/zinc/01/45/03/303014503.db2.gz XICXJMNDTJUEMZ-UHFFFAOYSA-N 1 0 334.332 1.719 20 5 EDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)C1 ZINC000293934948 303040615 /nfs/dbraw/zinc/04/06/15/303040615.db2.gz QRZUGZCYUBWWPJ-HNNXBMFYSA-N 1 0 334.332 1.671 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000294032150 303053880 /nfs/dbraw/zinc/05/38/80/303053880.db2.gz RNRZKNRZIGFDCJ-FRRDWIJNSA-N 1 0 348.403 1.264 20 5 EDBDRO CC(C)[N@H+](C)CC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000294704738 303137374 /nfs/dbraw/zinc/13/73/74/303137374.db2.gz XMKFTKXBDLLOKD-UHFFFAOYSA-N 1 0 348.403 1.219 20 5 EDBDRO CCOc1cc(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)ccc1[N+](=O)[O-] ZINC000295464610 303223617 /nfs/dbraw/zinc/22/36/17/303223617.db2.gz QIOPGUMUQLXKQO-PBHICJAKSA-N 1 0 335.404 1.898 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000295856413 303276394 /nfs/dbraw/zinc/27/63/94/303276394.db2.gz DONGIYGOEQFILT-BXUZGUMPSA-N 1 0 337.376 1.777 20 5 EDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000361694994 303364744 /nfs/dbraw/zinc/36/47/44/303364744.db2.gz CAIZPJSJAGVUFX-YOGCLGLASA-N 1 0 325.390 1.628 20 5 EDBDRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000262404183 303389478 /nfs/dbraw/zinc/38/94/78/303389478.db2.gz COSYXVOLCMMJPD-SNVBAGLBSA-N 1 0 331.369 1.626 20 5 EDBDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298154792 303502002 /nfs/dbraw/zinc/50/20/02/303502002.db2.gz DALOWCCIEIVCAI-CYBMUJFWSA-N 1 0 347.371 1.918 20 5 EDBDRO O=c1[nH]cnc2cc(N3CC[C@H]([NH+]4CCCC4)C3)c([N+](=O)[O-])cc12 ZINC000301141042 303662653 /nfs/dbraw/zinc/66/26/53/303662653.db2.gz FUOBNKGFPYQCQL-NSHDSACASA-N 1 0 329.360 1.918 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@](C)(CO)C(C)C ZINC000411753590 303912971 /nfs/dbraw/zinc/91/29/71/303912971.db2.gz WCZIMUQQOPLYCZ-MRXNPFEDSA-N 1 0 339.392 1.929 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000423979705 304922115 /nfs/dbraw/zinc/92/21/15/304922115.db2.gz QDHGPUNBGNNKAQ-UHFFFAOYSA-N 1 0 336.377 1.354 20 5 EDBDRO C[C@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@H]1C[NH3+] ZINC000424006152 304924382 /nfs/dbraw/zinc/92/43/82/304924382.db2.gz UDGXZQZENJITHM-QWHCGFSZSA-N 1 0 343.387 1.837 20 5 EDBDRO CCN(CCC[NH+](C)C)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000425255217 304957514 /nfs/dbraw/zinc/95/75/14/304957514.db2.gz NEROJTKCUBWMFB-UHFFFAOYSA-N 1 0 330.410 1.020 20 5 EDBDRO CC[N@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000428042552 305005284 /nfs/dbraw/zinc/00/52/84/305005284.db2.gz MCWMCVBHNMRSJM-UHFFFAOYSA-N 1 0 332.360 1.590 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428043421 305005417 /nfs/dbraw/zinc/00/54/17/305005417.db2.gz GJEOVWDNWCMTDW-GXTWGEPZSA-N 1 0 348.403 1.616 20 5 EDBDRO C[C@@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CCC[NH2+]C1 ZINC000428981900 305021567 /nfs/dbraw/zinc/02/15/67/305021567.db2.gz RSMNSAPIGIGPLZ-NEPJUHHUSA-N 1 0 349.387 1.413 20 5 EDBDRO COCC[C@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]C1 ZINC000430499230 305054514 /nfs/dbraw/zinc/05/45/14/305054514.db2.gz AQSNUBBIXJJQEM-QGZVFWFLSA-N 1 0 333.388 1.496 20 5 EDBDRO C[NH2+]C1CCN([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000430936116 305069324 /nfs/dbraw/zinc/06/93/24/305069324.db2.gz XEYRLGMHMAGQCH-NSHDSACASA-N 1 0 336.392 1.614 20 5 EDBDRO Cc1cc(OCC(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000432197255 305088841 /nfs/dbraw/zinc/08/88/41/305088841.db2.gz XGOITRYCJCSXTF-WFASDCNBSA-N 1 0 333.388 1.881 20 5 EDBDRO COC[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H]1CCCO1 ZINC000432622529 305095250 /nfs/dbraw/zinc/09/52/50/305095250.db2.gz NQTWOPSREMDEEJ-HRCADAONSA-N 1 0 349.387 1.484 20 5 EDBDRO COC[C@@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCCO1 ZINC000434786579 305130095 /nfs/dbraw/zinc/13/00/95/305130095.db2.gz RNVQGIDAANKXNF-HUUCEWRRSA-N 1 0 337.376 1.625 20 5 EDBDRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000435592543 305143096 /nfs/dbraw/zinc/14/30/96/305143096.db2.gz IDJLIVPQERONGU-NSHDSACASA-N 1 0 349.416 1.940 20 5 EDBDRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])o1 ZINC000440514920 305208824 /nfs/dbraw/zinc/20/88/24/305208824.db2.gz LYFSPOLGPLYSBS-QGZVFWFLSA-N 1 0 345.355 1.555 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000444348459 305246408 /nfs/dbraw/zinc/24/64/08/305246408.db2.gz BOKRQIOSQUTUBE-CYBMUJFWSA-N 1 0 335.404 1.820 20 5 EDBDRO CS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447561357 305282146 /nfs/dbraw/zinc/28/21/46/305282146.db2.gz HZLZDYJBRVMWNG-NEPJUHHUSA-N 1 0 330.410 1.299 20 5 EDBDRO C[C@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000447815583 305286167 /nfs/dbraw/zinc/28/61/67/305286167.db2.gz GNGSWSRIRVVXNS-KBXCAEBGSA-N 1 0 348.447 1.813 20 5 EDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000449694186 305317143 /nfs/dbraw/zinc/31/71/43/305317143.db2.gz GIYHXCFYGZYSMO-OAHLLOKOSA-N 1 0 343.387 1.898 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@@H](O)CN3CCOCC3)C2)cc1 ZINC000451550433 305352935 /nfs/dbraw/zinc/35/29/35/305352935.db2.gz RRBXEIPZEMGDOU-WMZOPIPTSA-N 1 0 349.431 1.467 20 5 EDBDRO O=C1CCC(=O)N1CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451552205 305353145 /nfs/dbraw/zinc/35/31/45/305353145.db2.gz WBWVJZRJPXASPF-AWEZNQCLSA-N 1 0 331.372 1.923 20 5 EDBDRO O=C(C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCOCC1 ZINC000451562542 305353841 /nfs/dbraw/zinc/35/38/41/305353841.db2.gz JKMNEMKNEDQDSD-OAHLLOKOSA-N 1 0 333.388 1.633 20 5 EDBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000451593843 305355430 /nfs/dbraw/zinc/35/54/30/305355430.db2.gz IEGXXMYOPNUEBT-ZBFHGGJFSA-N 1 0 325.409 1.635 20 5 EDBDRO CC1(C)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000452107416 305383444 /nfs/dbraw/zinc/38/34/44/305383444.db2.gz AXPFJPFXNJMZFB-KCQAQPDRSA-N 1 0 336.388 1.691 20 5 EDBDRO C[C@H](NC(=O)NCCNc1cc[nH+]cc1)c1ccc([N+](=O)[O-])cc1 ZINC000458889430 305512651 /nfs/dbraw/zinc/51/26/51/305512651.db2.gz OJLMTFFTISXGQM-LBPRGKRZSA-N 1 0 329.360 1.884 20 5 EDBDRO COC(=O)CCC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000532645890 305988199 /nfs/dbraw/zinc/98/81/99/305988199.db2.gz JBHSELSTKWAFEV-UHFFFAOYSA-N 1 0 349.387 1.859 20 5 EDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000535020985 306011026 /nfs/dbraw/zinc/01/10/26/306011026.db2.gz YKISFBCCMXQPBQ-ZFWWWQNUSA-N 1 0 349.435 1.031 20 5 EDBDRO O=C(NC[C@@H]1CC[NH2+]C1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414949957 447370675 /nfs/dbraw/zinc/37/06/75/447370675.db2.gz OCYOUTNABHSQQW-MRVPVSSYSA-N 1 0 330.291 1.927 20 5 EDBDRO COC(=O)COc1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000425992084 447374165 /nfs/dbraw/zinc/37/41/65/447374165.db2.gz AKIHETQIJHJHDW-OKILXGFUSA-N 1 0 349.387 1.140 20 5 EDBDRO COc1cc(C[NH2+]C[C@@H]2CCOC[C@H]2OC)c([N+](=O)[O-])cc1O ZINC000449461915 447375393 /nfs/dbraw/zinc/37/53/93/447375393.db2.gz UJBPOLXZDMLGFM-ZUZCIYMTSA-N 1 0 326.349 1.450 20 5 EDBDRO Cc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000449670877 447383181 /nfs/dbraw/zinc/38/31/81/447383181.db2.gz JQTGWYYPPSKVJK-ZBFHGGJFSA-N 1 0 333.388 1.872 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000449721929 447391171 /nfs/dbraw/zinc/39/11/71/447391171.db2.gz UXCKOZVCTWFHRL-GHMZBOCLSA-N 1 0 337.376 1.859 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000419766279 447400392 /nfs/dbraw/zinc/40/03/92/447400392.db2.gz YJRAJOZTECKHSS-SWLSCSKDSA-N 1 0 348.403 1.248 20 5 EDBDRO Cc1nn(CCC(=O)NC[C@H](CC(C)C)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000102488031 441168909 /nfs/dbraw/zinc/16/89/09/441168909.db2.gz FSZPJZMKBRZNHD-AWEZNQCLSA-N 1 0 339.440 1.891 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1F)NC1CC[NH+](C2CC2)CC1 ZINC000047354964 441178984 /nfs/dbraw/zinc/17/89/84/441178984.db2.gz IPIDIZBEZXYDKR-UHFFFAOYSA-N 1 0 337.351 1.856 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000047429170 441185885 /nfs/dbraw/zinc/18/58/85/441185885.db2.gz QXEGFQWUMCAXEH-UHFFFAOYSA-N 1 0 342.355 1.717 20 5 EDBDRO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000104076132 441189094 /nfs/dbraw/zinc/18/90/94/441189094.db2.gz VEPIFMBLVCVFRR-AAEUAGOBSA-N 1 0 348.403 1.818 20 5 EDBDRO O=C(C[N@@H+]1CCC2(C1)CCOCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000072898598 441274675 /nfs/dbraw/zinc/27/46/75/441274675.db2.gz VSOPCYDKQJGLEI-UHFFFAOYSA-N 1 0 345.399 1.986 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000063802651 441354665 /nfs/dbraw/zinc/35/46/65/441354665.db2.gz UGYWKWFAYPLXKS-UHFFFAOYSA-N 1 0 334.376 1.774 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(c3nnc[nH]3)CC2)c1 ZINC000083424919 441360831 /nfs/dbraw/zinc/36/08/31/441360831.db2.gz JXMBRHNUMWLQKZ-CQSZACIVSA-N 1 0 347.375 1.332 20 5 EDBDRO CC[NH+]1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000073963847 441374217 /nfs/dbraw/zinc/37/42/17/441374217.db2.gz LAFRZYLZHCRQEX-UHFFFAOYSA-N 1 0 326.422 1.414 20 5 EDBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000065893637 441492081 /nfs/dbraw/zinc/49/20/81/441492081.db2.gz LMEZYSUHPNDPTR-UHFFFAOYSA-N 1 0 349.366 1.521 20 5 EDBDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000112549354 441550738 /nfs/dbraw/zinc/55/07/38/441550738.db2.gz QXFMAIPIFPVCRB-GXFFZTMASA-N 1 0 344.375 1.426 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCn1cccn1 ZINC000111279918 441530933 /nfs/dbraw/zinc/53/09/33/441530933.db2.gz RKJZZUIOPLJLCN-UHFFFAOYSA-N 1 0 347.375 1.761 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000111843519 441541883 /nfs/dbraw/zinc/54/18/83/441541883.db2.gz UKSHBFIDTOEBJK-HNNXBMFYSA-N 1 0 336.392 1.505 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000032072731 441544636 /nfs/dbraw/zinc/54/46/36/441544636.db2.gz QDGOCGJZVBDXTC-GFCCVEGCSA-N 1 0 329.422 1.912 20 5 EDBDRO COc1c(C)cc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000075682314 441548378 /nfs/dbraw/zinc/54/83/78/441548378.db2.gz QWTLMSYHFNHRLX-INIZCTEOSA-N 1 0 348.403 1.910 20 5 EDBDRO O=C(NCC[NH+]1CCCCCC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000076249935 441617726 /nfs/dbraw/zinc/61/77/26/441617726.db2.gz PPOGLEUITUKVOO-UHFFFAOYSA-N 1 0 349.387 1.972 20 5 EDBDRO COC(=O)[C@@H](C)C[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000114063570 441632644 /nfs/dbraw/zinc/63/26/44/441632644.db2.gz YCNNTYYAGHGGRG-SMDDNHRTSA-N 1 0 335.360 1.441 20 5 EDBDRO Cc1cccc(C(=O)NCCCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000041363148 441647296 /nfs/dbraw/zinc/64/72/96/441647296.db2.gz KSIALCZWFGKCIL-UHFFFAOYSA-N 1 0 334.420 1.661 20 5 EDBDRO C[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000114385073 441652556 /nfs/dbraw/zinc/65/25/56/441652556.db2.gz BASRKDOHUIJUSH-NSHDSACASA-N 1 0 340.811 1.614 20 5 EDBDRO CN1CC[NH+](CCCCNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000042106563 441705014 /nfs/dbraw/zinc/70/50/14/441705014.db2.gz URSLNCLKSSVCJB-UHFFFAOYSA-N 1 0 338.437 1.744 20 5 EDBDRO COCC[NH+]1CCC(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000142430431 441864058 /nfs/dbraw/zinc/86/40/58/441864058.db2.gz BPXVLLBZKHQABF-QPJJXVBHSA-N 1 0 333.388 1.835 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000068935600 441871542 /nfs/dbraw/zinc/87/15/42/441871542.db2.gz SWWXWGJVWYCDND-NSHDSACASA-N 1 0 331.376 1.931 20 5 EDBDRO Cc1c(C(=O)N2CCC[N@@H+](C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000122335112 441846167 /nfs/dbraw/zinc/84/61/67/441846167.db2.gz DVGCSBOCWYXQCI-UHFFFAOYSA-N 1 0 336.348 1.898 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000146618014 441898368 /nfs/dbraw/zinc/89/83/68/441898368.db2.gz LAZZIQARKFNKLO-CYBMUJFWSA-N 1 0 339.417 1.762 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000146623081 441899072 /nfs/dbraw/zinc/89/90/72/441899072.db2.gz WNADGLFFVOPUNS-CYBMUJFWSA-N 1 0 325.390 1.454 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000069506250 441957053 /nfs/dbraw/zinc/95/70/53/441957053.db2.gz IAFWZDWHUQDBLS-GFCCVEGCSA-N 1 0 347.375 1.312 20 5 EDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1(C(N)=O)CCCC1 ZINC000120092309 442005919 /nfs/dbraw/zinc/00/59/19/442005919.db2.gz QWOWQRCBRDTVPT-CYBMUJFWSA-N 1 0 337.376 1.064 20 5 EDBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000151248385 442031704 /nfs/dbraw/zinc/03/17/04/442031704.db2.gz BAJNEVUXEQGFPB-LLVKDONJSA-N 1 0 325.369 1.390 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000162435857 442094103 /nfs/dbraw/zinc/09/41/03/442094103.db2.gz FMVCDELWYSULBZ-ZDUSSCGKSA-N 1 0 341.433 1.399 20 5 EDBDRO O=C(CN1CC[C@H]([NH+]2CCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000170743023 442256133 /nfs/dbraw/zinc/25/61/33/442256133.db2.gz JBEOIKZTKJGXPK-INIZCTEOSA-N 1 0 344.415 1.654 20 5 EDBDRO CN(CC[NH+]1CCCC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153220673 442268883 /nfs/dbraw/zinc/26/88/83/442268883.db2.gz AWKHZJPRBJOSDM-UHFFFAOYSA-N 1 0 327.406 1.452 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000177125305 442300678 /nfs/dbraw/zinc/30/06/78/442300678.db2.gz FIBADXMYOSFDKC-UHFFFAOYSA-N 1 0 334.420 1.659 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000129721979 442328898 /nfs/dbraw/zinc/32/88/98/442328898.db2.gz TVWQDQCDKXTSLY-LBPRGKRZSA-N 1 0 341.433 1.978 20 5 EDBDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000154697429 442352155 /nfs/dbraw/zinc/35/21/55/442352155.db2.gz WCIKKQYHRKIHTC-JSGCOSHPSA-N 1 0 341.433 1.839 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[N@@H+]1C1CC1 ZINC000177163806 442307991 /nfs/dbraw/zinc/30/79/91/442307991.db2.gz BHVBONPNKVUQSV-ZJUUUORDSA-N 1 0 329.360 1.826 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178108882 442408717 /nfs/dbraw/zinc/40/87/17/442408717.db2.gz OGKBOCUAMIYHLB-ZDUSSCGKSA-N 1 0 334.376 1.093 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+](C)C(C)C ZINC000155604432 442411972 /nfs/dbraw/zinc/41/19/72/442411972.db2.gz KRTSFINZCWTWME-UHFFFAOYSA-N 1 0 329.422 1.776 20 5 EDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000134185587 442455652 /nfs/dbraw/zinc/45/56/52/442455652.db2.gz KLDUXDGJLKGCGW-KRWDZBQOSA-N 1 0 349.431 1.881 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000179506494 442468616 /nfs/dbraw/zinc/46/86/16/442468616.db2.gz WLRJUJDJAKDXKS-UHFFFAOYSA-N 1 0 343.387 1.854 20 5 EDBDRO O=C(CN1CCC[N@@H+](C2CC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000172542710 442484969 /nfs/dbraw/zinc/48/49/69/442484969.db2.gz LKQVIGBYXZXASE-UHFFFAOYSA-N 1 0 344.415 1.654 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000179881795 442516013 /nfs/dbraw/zinc/51/60/13/442516013.db2.gz OSYYDPUQIHHNHH-NSHDSACASA-N 1 0 337.376 1.947 20 5 EDBDRO CCOc1cc(C(=O)NCC2=CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000186389738 442524710 /nfs/dbraw/zinc/52/47/10/442524710.db2.gz ANKNFWZNJYFUNC-UHFFFAOYSA-N 1 0 335.360 1.652 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186705191 442595755 /nfs/dbraw/zinc/59/57/55/442595755.db2.gz KWOOTCAMRTXLCC-RDJZCZTQSA-N 1 0 344.371 1.284 20 5 EDBDRO C[C@H]1CN=C(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)S1 ZINC000173078474 442599940 /nfs/dbraw/zinc/59/99/40/442599940.db2.gz LGKRRMDEFMPYPJ-NSHDSACASA-N 1 0 334.401 1.844 20 5 EDBDRO C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC[NH+]2CCCCC2)C1=O ZINC000192803299 442687942 /nfs/dbraw/zinc/68/79/42/442687942.db2.gz QIBJAJGHKOLEKX-KRWDZBQOSA-N 1 0 346.387 1.848 20 5 EDBDRO COc1cc(OCC(=O)NCC2(C)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000181285231 442688234 /nfs/dbraw/zinc/68/82/34/442688234.db2.gz ZNFFVNCAXBIICN-UHFFFAOYSA-N 1 0 337.376 1.488 20 5 EDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000188227714 442726541 /nfs/dbraw/zinc/72/65/41/442726541.db2.gz CSDVDVFPRIOSCJ-CHWSQXEVSA-N 1 0 341.433 1.994 20 5 EDBDRO Cc1cc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000188709411 442794574 /nfs/dbraw/zinc/79/45/74/442794574.db2.gz IPDFVAAYMSREBI-CYBMUJFWSA-N 1 0 335.404 1.820 20 5 EDBDRO CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246447474 442783039 /nfs/dbraw/zinc/78/30/39/442783039.db2.gz DQROFYMMYIVOTN-UKRRQHHQSA-N 1 0 338.408 1.510 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[N@@H+]1C1CC1 ZINC000268040697 442827029 /nfs/dbraw/zinc/82/70/29/442827029.db2.gz XYIVZYCXSAIJHW-QWRGUYRKSA-N 1 0 337.351 1.854 20 5 EDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000268040703 442827087 /nfs/dbraw/zinc/82/70/87/442827087.db2.gz XYSYSSIHCOSHHP-HNNXBMFYSA-N 1 0 339.392 1.447 20 5 EDBDRO Cc1c(CC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000194010374 442827684 /nfs/dbraw/zinc/82/76/84/442827684.db2.gz MMDPHUTYOXELAD-QWHCGFSZSA-N 1 0 335.404 1.359 20 5 EDBDRO COc1ccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000194017942 442829799 /nfs/dbraw/zinc/82/97/99/442829799.db2.gz MPIRZGYCDIULHU-ZACCUICWSA-N 1 0 341.389 1.165 20 5 EDBDRO CCc1nc2n(n1)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000194396887 442888819 /nfs/dbraw/zinc/88/88/19/442888819.db2.gz NGBWNTNXBPFDIA-LLVKDONJSA-N 1 0 346.347 1.762 20 5 EDBDRO Cc1c(C[NH2+][C@H](C(=O)N2CCOCC2)C(C)C)cccc1[N+](=O)[O-] ZINC000180073253 318465002 /nfs/dbraw/zinc/46/50/02/318465002.db2.gz MLPOUBLBISVBAF-INIZCTEOSA-N 1 0 335.404 1.876 20 5 EDBDRO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)c1ccccc1 ZINC000183472643 442934547 /nfs/dbraw/zinc/93/45/47/442934547.db2.gz FAAHTOLGOZJLIP-UHFFFAOYSA-N 1 0 329.360 1.780 20 5 EDBDRO C[C@H](C(=O)NCCN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184796192 318538358 /nfs/dbraw/zinc/53/83/58/318538358.db2.gz UNPHIWSRTOATRY-LBPRGKRZSA-N 1 0 338.383 1.201 20 5 EDBDRO C[C@@H]1CC[C@](CO)([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000249596735 442993450 /nfs/dbraw/zinc/99/34/50/442993450.db2.gz XAMVVULBTSDQGD-UNEWFSDZSA-N 1 0 338.404 1.817 20 5 EDBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C1CC1 ZINC000189795592 443012757 /nfs/dbraw/zinc/01/27/57/443012757.db2.gz QGIOCTMZSGLKOG-UHFFFAOYSA-N 1 0 327.406 1.895 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000296188551 318672123 /nfs/dbraw/zinc/67/21/23/318672123.db2.gz VOVBJLGKUVXKOE-KFZJALRRSA-N 1 0 348.399 1.882 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000266178515 443046948 /nfs/dbraw/zinc/04/69/48/443046948.db2.gz XANFCIAMDCJRSO-UHFFFAOYSA-N 1 0 325.365 1.058 20 5 EDBDRO C[N@H+](CC1(O)CCOCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000189756497 443004479 /nfs/dbraw/zinc/00/44/79/443004479.db2.gz QDNNWQSGJYFDOB-HNNXBMFYSA-N 1 0 349.387 1.173 20 5 EDBDRO Cc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000268685447 443076921 /nfs/dbraw/zinc/07/69/21/443076921.db2.gz HKANPVRPYTVZRA-CQSZACIVSA-N 1 0 343.387 1.973 20 5 EDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCCCC[N@H+]1CCC[C@@H]1CO ZINC000255516813 443100489 /nfs/dbraw/zinc/10/04/89/443100489.db2.gz OLRSPCGDSVJJHD-ZBTGYSDGSA-N 1 0 347.415 1.961 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000268831183 443120957 /nfs/dbraw/zinc/12/09/57/443120957.db2.gz VXVBGLFSWXMWRE-GFCCVEGCSA-N 1 0 343.405 1.318 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000266555594 443167711 /nfs/dbraw/zinc/16/77/11/443167711.db2.gz NYBSAHFNGFNACX-UHFFFAOYSA-N 1 0 338.408 1.405 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000237558357 443175708 /nfs/dbraw/zinc/17/57/08/443175708.db2.gz PDEWVFXJUJSCLV-MFKMUULPSA-N 1 0 327.406 1.651 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000237851993 443184049 /nfs/dbraw/zinc/18/40/49/443184049.db2.gz QWFDCZPAUFWJRX-SECBINFHSA-N 1 0 333.797 1.669 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](CCc2ccc(F)cc2)C2CC2)c1 ZINC000266517673 443154173 /nfs/dbraw/zinc/15/41/73/443154173.db2.gz HJQZKZMKZCMFRB-KRWDZBQOSA-N 1 0 348.378 1.998 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000324753350 318944301 /nfs/dbraw/zinc/94/43/01/318944301.db2.gz UODNAPGUFHTSOL-QWHCGFSZSA-N 1 0 333.392 1.156 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000269104129 443198088 /nfs/dbraw/zinc/19/80/88/443198088.db2.gz HHPJHGHYDLVAIE-ZDUSSCGKSA-N 1 0 348.403 1.173 20 5 EDBDRO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1n1ccnc1 ZINC000245737582 443247196 /nfs/dbraw/zinc/24/71/96/443247196.db2.gz WUDODYDOEHJYLK-UKRRQHHQSA-N 1 0 331.376 1.536 20 5 EDBDRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000382516191 319123809 /nfs/dbraw/zinc/12/38/09/319123809.db2.gz RJTDVSHAJDCEBJ-IUCAKERBSA-N 1 0 333.797 1.654 20 5 EDBDRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397425667 319134531 /nfs/dbraw/zinc/13/45/31/319134531.db2.gz XOOUAYYTYXHZPZ-GMTAPVOTSA-N 1 0 345.396 1.728 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397421556 319134533 /nfs/dbraw/zinc/13/45/33/319134533.db2.gz VEQIJZLDAWHHQA-UHTWSYAYSA-N 1 0 341.433 1.897 20 5 EDBDRO Cc1cc(C(=O)NCc2nc(C3([NH3+])CCCC3)no2)ccc1[N+](=O)[O-] ZINC000414632223 319332936 /nfs/dbraw/zinc/33/29/36/319332936.db2.gz ZFCVUKMMHAWSAZ-UHFFFAOYSA-N 1 0 345.359 1.944 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000414656168 319337558 /nfs/dbraw/zinc/33/75/58/319337558.db2.gz MRIXSJOZUBLXOY-ZDUSSCGKSA-N 1 0 349.391 1.115 20 5 EDBDRO C[NH+](C)CC1(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000185820011 443263621 /nfs/dbraw/zinc/26/36/21/443263621.db2.gz MATJLNAPORITRF-UHFFFAOYSA-N 1 0 338.412 1.213 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000419133630 319560288 /nfs/dbraw/zinc/56/02/88/319560288.db2.gz GCCPRXNRVSOYQH-RWMBFGLXSA-N 1 0 348.403 1.358 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000264627586 443352446 /nfs/dbraw/zinc/35/24/46/443352446.db2.gz NBNIKRCBLPVPTQ-UHFFFAOYSA-N 1 0 343.387 1.948 20 5 EDBDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000278700008 443405540 /nfs/dbraw/zinc/40/55/40/443405540.db2.gz QUDDJNYUIGLCDZ-OTYXRUKQSA-N 1 0 332.303 1.826 20 5 EDBDRO CC[NH+]1CCC(Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000272876492 443476339 /nfs/dbraw/zinc/47/63/39/443476339.db2.gz FQMIUYRWSBWCBS-UHFFFAOYSA-N 1 0 328.394 1.138 20 5 EDBDRO COc1cc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc([N+](=O)[O-])c1OC ZINC000272981373 443509547 /nfs/dbraw/zinc/50/95/47/443509547.db2.gz JFRGWKUQUZKJHA-INIZCTEOSA-N 1 0 337.376 1.732 20 5 EDBDRO COc1ccc(OCC[NH+]2CCC3(CNC(=O)C3)CC2)c([N+](=O)[O-])c1 ZINC000267660887 443531720 /nfs/dbraw/zinc/53/17/20/443531720.db2.gz MUUXCRGSMMIPJA-UHFFFAOYSA-N 1 0 349.387 1.584 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)Cn2cccn2)c([N+](=O)[O-])c1 ZINC000265108167 443535530 /nfs/dbraw/zinc/53/55/30/443535530.db2.gz YXBZZGWVZXEUGW-NSHDSACASA-N 1 0 333.348 1.417 20 5 EDBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000272257267 443571040 /nfs/dbraw/zinc/57/10/40/443571040.db2.gz UMKGQSUQQKMPRE-ZWNOBZJWSA-N 1 0 345.396 1.613 20 5 EDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000286051766 443635537 /nfs/dbraw/zinc/63/55/37/443635537.db2.gz LIPFGVMIZXFNLQ-FCHSOHFDSA-N 1 0 325.340 1.615 20 5 EDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000429421556 319929384 /nfs/dbraw/zinc/92/93/84/319929384.db2.gz FMMPRQNBUBIWCI-SNVBAGLBSA-N 1 0 330.344 1.530 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2CCc3c[nH]nc3C2)c([N+](=O)[O-])c1 ZINC000611008625 450403873 /nfs/dbraw/zinc/40/38/73/450403873.db2.gz DWXMYIXPFOTHSX-UHFFFAOYSA-N 1 0 345.359 1.713 20 5 EDBDRO CC(C)[N@H+](CCC(=O)N1CCN(C)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000283477704 443642858 /nfs/dbraw/zinc/64/28/58/443642858.db2.gz IXCLKDUTUCVZAT-UHFFFAOYSA-N 1 0 348.447 1.969 20 5 EDBDRO COC(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000441098259 320088723 /nfs/dbraw/zinc/08/87/23/320088723.db2.gz BJKZFSGJUUHYGV-AWEZNQCLSA-N 1 0 335.360 1.951 20 5 EDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000449216711 320178961 /nfs/dbraw/zinc/17/89/61/320178961.db2.gz UTBZXORSFVFQAN-GXTWGEPZSA-N 1 0 341.433 1.539 20 5 EDBDRO COC[C@](C)(O)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000449384923 320186120 /nfs/dbraw/zinc/18/61/20/320186120.db2.gz OZGWJDQEYZFIQT-QGZVFWFLSA-N 1 0 348.403 1.872 20 5 EDBDRO COC[C@@](C)(O)CC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449386326 320186801 /nfs/dbraw/zinc/18/68/01/320186801.db2.gz TUVZSHFYAACBQS-WBMJQRKESA-N 1 0 339.392 1.689 20 5 EDBDRO CC(C)(C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)n1cc([N+](=O)[O-])cn1 ZINC000449705491 320200501 /nfs/dbraw/zinc/20/05/01/320200501.db2.gz YGKBVUHWMKZDMB-CHWSQXEVSA-N 1 0 335.408 1.375 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000452115833 320242489 /nfs/dbraw/zinc/24/24/89/320242489.db2.gz MGVNSXOBBMBKLY-HUUCEWRRSA-N 1 0 337.420 1.749 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000457106654 320320115 /nfs/dbraw/zinc/32/01/15/320320115.db2.gz DJLLCOQYDVJJLX-GFCCVEGCSA-N 1 0 349.387 1.921 20 5 EDBDRO COc1ccc(OCC[NH2+][C@H](CO)c2ccnn2C)c([N+](=O)[O-])c1 ZINC000459757121 320349640 /nfs/dbraw/zinc/34/96/40/320349640.db2.gz NYQSKSLVPFFKMU-GFCCVEGCSA-N 1 0 336.348 1.039 20 5 EDBDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1c([N+](=O)[O-])ncn1C ZINC000491202557 320366734 /nfs/dbraw/zinc/36/67/34/320366734.db2.gz QCMWFMSTWVUWMQ-KRWDZBQOSA-N 1 0 345.403 1.402 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000493585102 320395088 /nfs/dbraw/zinc/39/50/88/320395088.db2.gz NSHAGWFHRIZOQN-PRJTXATQSA-N 1 0 345.399 1.930 20 5 EDBDRO CC(C)[N@H+](CCOCCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000283691282 443690417 /nfs/dbraw/zinc/69/04/17/443690417.db2.gz ITQAGRHUPGXMLL-HNNXBMFYSA-N 1 0 342.392 1.054 20 5 EDBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4ccc(C(N)=O)cc4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000286366642 443699310 /nfs/dbraw/zinc/69/93/10/443699310.db2.gz GBOLKAGIPUFEJC-YOPIWALVSA-N 1 0 331.372 1.549 20 5 EDBDRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000517019997 320445582 /nfs/dbraw/zinc/44/55/82/320445582.db2.gz LDRJPCQBRBHQGT-CYBMUJFWSA-N 1 0 334.376 1.041 20 5 EDBDRO COc1ccc(NC(=O)CC[N@H+](CCO)C2CCC2)c([N+](=O)[O-])c1 ZINC000298537127 443794069 /nfs/dbraw/zinc/79/40/69/443794069.db2.gz MUNFRNYZZXTQLH-UHFFFAOYSA-N 1 0 337.376 1.779 20 5 EDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000288126608 443779342 /nfs/dbraw/zinc/77/93/42/443779342.db2.gz KJXTULGMRYQZFO-WFASDCNBSA-N 1 0 346.387 1.619 20 5 EDBDRO O=C(N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280943275 443779350 /nfs/dbraw/zinc/77/93/50/443779350.db2.gz WIDYTUKTVZFWLB-RDTXWAMCSA-N 1 0 344.415 1.633 20 5 EDBDRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)C1 ZINC000292693428 443820003 /nfs/dbraw/zinc/82/00/03/443820003.db2.gz CQXDIYWXNALINC-OAHLLOKOSA-N 1 0 339.417 1.701 20 5 EDBDRO CN(CCC[NH+]1CCCC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000281187801 443842077 /nfs/dbraw/zinc/84/20/77/443842077.db2.gz BJDVTKRHMBTQGK-MRXNPFEDSA-N 1 0 337.420 1.752 20 5 EDBDRO O=C(NCc1ccccc1CN1CCOCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298893970 443894471 /nfs/dbraw/zinc/89/44/71/443894471.db2.gz ZYXHHMCEBQVNIA-UHFFFAOYSA-N 1 0 344.371 1.685 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000285096844 443855068 /nfs/dbraw/zinc/85/50/68/443855068.db2.gz DTSSHKKNPFCDBG-UONOGXRCSA-N 1 0 341.314 1.418 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000285310893 443937661 /nfs/dbraw/zinc/93/76/61/443937661.db2.gz QMFNQTBZPCUTGK-MIVXPEEVSA-N 1 0 331.372 1.540 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1(C[NH+](C)C)CCC1 ZINC000281581347 443950344 /nfs/dbraw/zinc/95/03/44/443950344.db2.gz BNSOMFNEBQDCOY-GFCCVEGCSA-N 1 0 348.403 1.314 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000277473016 443987814 /nfs/dbraw/zinc/98/78/14/443987814.db2.gz NLUTYRAXHKRQCR-YPMHNXCESA-N 1 0 337.376 1.947 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000277524692 444000320 /nfs/dbraw/zinc/00/03/20/444000320.db2.gz RBBWYTMGBUCSRK-WCQYABFASA-N 1 0 337.376 1.947 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000285680820 444071249 /nfs/dbraw/zinc/07/12/49/444071249.db2.gz HRXYDBCXIMECSV-ZIAGYGMSSA-N 1 0 339.779 1.793 20 5 EDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000293646090 444078708 /nfs/dbraw/zinc/07/87/08/444078708.db2.gz KCUTWZRWXUIQFM-UHFFFAOYSA-N 1 0 332.404 1.877 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293574910 444058834 /nfs/dbraw/zinc/05/88/34/444058834.db2.gz YGJFWTZTSYQTMH-PWSUYJOCSA-N 1 0 333.344 1.190 20 5 EDBDRO CCN(CC)[C@H](C)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000566123189 321218282 /nfs/dbraw/zinc/21/82/82/321218282.db2.gz AXRPUQSQWTWCLF-CYBMUJFWSA-N 1 0 343.449 1.688 20 5 EDBDRO COc1cc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c([N+](=O)[O-])cc1O ZINC000570806587 321358616 /nfs/dbraw/zinc/35/86/16/321358616.db2.gz GNBVHVWVWPNWRT-ABAIWWIYSA-N 1 0 342.392 1.557 20 5 EDBDRO COC(=O)CC1([NH2+]CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000570932948 321364339 /nfs/dbraw/zinc/36/43/39/321364339.db2.gz PTCRVJOIZWSIMU-UHFFFAOYSA-N 1 0 349.343 1.578 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NC[C@H](C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000571195601 321376024 /nfs/dbraw/zinc/37/60/24/321376024.db2.gz AZZKZPFCNCPHDU-ZDUSSCGKSA-N 1 0 348.403 1.234 20 5 EDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)C1 ZINC000301266998 444159198 /nfs/dbraw/zinc/15/91/98/444159198.db2.gz GWEHOAUXQQRWCX-AWEZNQCLSA-N 1 0 349.391 1.719 20 5 EDBDRO COc1cc(OCC(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)ccc1[N+](=O)[O-] ZINC000286007848 444175302 /nfs/dbraw/zinc/17/53/02/444175302.db2.gz JCTXTOJFXLUCCG-OHUAYANFSA-N 1 0 337.376 1.485 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(N3CCN(c4cc[nH+]cc4)CC3)nn21 ZINC000301872671 444194636 /nfs/dbraw/zinc/19/46/36/444194636.db2.gz DLRJQTWCMMZVBI-UHFFFAOYSA-N 1 0 325.332 1.359 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c1 ZINC000305197257 444264338 /nfs/dbraw/zinc/26/43/38/444264338.db2.gz UMAYKWWVIDJZDW-ROUUACIJSA-N 1 0 349.431 1.815 20 5 EDBDRO C[C@@H]1C[N@@H+](C[C@H](O)CN2CCc3c(cccc3[N+](=O)[O-])C2)C[C@H](C)O1 ZINC000305442045 444270105 /nfs/dbraw/zinc/27/01/05/444270105.db2.gz NJZNZOCZJOADOE-IJEWVQPXSA-N 1 0 349.431 1.423 20 5 EDBDRO CC[N@H+](C)[C@@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000302826309 444226219 /nfs/dbraw/zinc/22/62/19/444226219.db2.gz MVLRBLYPEODBNZ-SECBINFHSA-N 1 0 333.435 1.590 20 5 EDBDRO C[NH+](C)CCn1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])n1 ZINC000303038384 444232761 /nfs/dbraw/zinc/23/27/61/444232761.db2.gz RQCBHBOAPAXRBD-UHFFFAOYSA-N 1 0 346.391 1.794 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000303106633 444234042 /nfs/dbraw/zinc/23/40/42/444234042.db2.gz FHQZEHXJWAVTQR-SJORKVTESA-N 1 0 349.431 1.895 20 5 EDBDRO C[C@H]1CCC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H]1CO ZINC000305744925 444277253 /nfs/dbraw/zinc/27/72/53/444277253.db2.gz UWTOXJCMOHORES-WFASDCNBSA-N 1 0 349.387 1.986 20 5 EDBDRO C[C@@H](CCCC[NH3+])Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000324290952 444352654 /nfs/dbraw/zinc/35/26/54/444352654.db2.gz JECPRGMFSFHJGG-NSHDSACASA-N 1 0 344.437 1.775 20 5 EDBDRO [NH3+]C1CCC(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000324679586 444356586 /nfs/dbraw/zinc/35/65/86/444356586.db2.gz OKQHVQZNTIMTSY-UHFFFAOYSA-N 1 0 333.392 1.156 20 5 EDBDRO [NH3+][C@H]1CCC[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000324753351 444357733 /nfs/dbraw/zinc/35/77/33/444357733.db2.gz UODNAPGUFHTSOL-STQMWFEESA-N 1 0 333.392 1.156 20 5 EDBDRO C[C@H](C[C@H](C)[NH3+])Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000320655245 444331427 /nfs/dbraw/zinc/33/14/27/444331427.db2.gz HGWFEYJINUYAFB-VHSXEESVSA-N 1 0 330.410 1.383 20 5 EDBDRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000578768856 321829537 /nfs/dbraw/zinc/82/95/37/321829537.db2.gz YADVKPUKQPGXBB-HNNXBMFYSA-N 1 0 344.375 1.051 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000579344748 321922103 /nfs/dbraw/zinc/92/21/03/321922103.db2.gz JKAVESHYUSQKNL-OCCSQVGLSA-N 1 0 349.366 1.160 20 5 EDBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000579815182 321973188 /nfs/dbraw/zinc/97/31/88/321973188.db2.gz JCFSYEOEYPXBQI-QWHCGFSZSA-N 1 0 348.384 1.024 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000580067968 322005034 /nfs/dbraw/zinc/00/50/34/322005034.db2.gz QGONOQZABVVSOO-YPMHNXCESA-N 1 0 341.433 1.918 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000580329563 322038724 /nfs/dbraw/zinc/03/87/24/322038724.db2.gz DLBFFYZGUAZQFV-CQSZACIVSA-N 1 0 329.360 1.184 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CCc3ccccc3CC2)c1 ZINC000580641397 322077150 /nfs/dbraw/zinc/07/71/50/322077150.db2.gz QMAHJUQJVOCIQP-QGZVFWFLSA-N 1 0 330.388 1.689 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000581835480 322223020 /nfs/dbraw/zinc/22/30/20/322223020.db2.gz AZKXHJGQANGVDK-RYUDHWBXSA-N 1 0 327.406 1.569 20 5 EDBDRO CC(C)c1ccc(CN2CCN3C(=O)NC(=O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000332582433 444520106 /nfs/dbraw/zinc/52/01/06/444520106.db2.gz BBAFTIPEMCXKCC-AWEZNQCLSA-N 1 0 332.360 1.454 20 5 EDBDRO Cc1sc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000342485162 444711686 /nfs/dbraw/zinc/71/16/86/444711686.db2.gz ASFRSJHVIQFVMT-JTQLQIEISA-N 1 0 333.435 1.679 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000344020559 444732101 /nfs/dbraw/zinc/73/21/01/444732101.db2.gz ANWCFTCQGSOSBV-DUVNUKRYSA-N 1 0 333.388 1.935 20 5 EDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO)C[NH+](C)C ZINC000341301201 444768543 /nfs/dbraw/zinc/76/85/43/444768543.db2.gz XXFVWXLANXGLAF-NSHDSACASA-N 1 0 341.433 1.607 20 5 EDBDRO CC1CC[NH+](C[C@H](O)CNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000330372324 444956447 /nfs/dbraw/zinc/95/64/47/444956447.db2.gz KBFFRONTJPFOFM-LLVKDONJSA-N 1 0 327.406 1.479 20 5 EDBDRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000343199673 445129893 /nfs/dbraw/zinc/12/98/93/445129893.db2.gz GILQWRPSDVRDEF-UHFFFAOYSA-N 1 0 330.348 1.107 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000611072202 450422269 /nfs/dbraw/zinc/42/22/69/450422269.db2.gz LBHPCWQQHVFOJS-UHFFFAOYSA-N 1 0 346.391 1.348 20 5 EDBDRO C[C@H]1[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCC[N@@H+]1C ZINC000343467111 445228064 /nfs/dbraw/zinc/22/80/64/445228064.db2.gz ZGVFJIFPEFCYKP-BLLLJJGKSA-N 1 0 343.387 1.993 20 5 EDBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@@H](O)C[NH+]3CCCCC3)c21 ZINC000347415281 445237845 /nfs/dbraw/zinc/23/78/45/445237845.db2.gz VTBWHFNDQDUOCK-GFCCVEGCSA-N 1 0 331.376 1.797 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1[NH+](C)C ZINC000359778250 445423757 /nfs/dbraw/zinc/42/37/57/445423757.db2.gz NBDKGZWFMOCNIM-MLGOLLRUSA-N 1 0 343.387 1.803 20 5 EDBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])c1OC ZINC000357015760 445378239 /nfs/dbraw/zinc/37/82/39/445378239.db2.gz DMGLSVNZWTXDBP-QWHCGFSZSA-N 1 0 349.387 1.969 20 5 EDBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)CN(C)C ZINC000349203370 445534624 /nfs/dbraw/zinc/53/46/24/445534624.db2.gz TVOZQXRVBZJJNF-CHWSQXEVSA-N 1 0 327.450 1.978 20 5 EDBDRO Cc1sc(S(=O)(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000349804194 445684040 /nfs/dbraw/zinc/68/40/40/445684040.db2.gz UDCYDOWTDOENKO-SECBINFHSA-N 1 0 335.451 1.972 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000353646718 445691094 /nfs/dbraw/zinc/69/10/94/445691094.db2.gz FIGXHOYEAKSIBT-JKSUJKDBSA-N 1 0 347.415 1.804 20 5 EDBDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000358790373 445776840 /nfs/dbraw/zinc/77/68/40/445776840.db2.gz JMBPVOWXZUPXRR-WQVCFCJDSA-N 1 0 331.376 1.630 20 5 EDBDRO Cc1ccccc1C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000363395672 445786388 /nfs/dbraw/zinc/78/63/88/445786388.db2.gz OJTMWSIOMVEAJV-UHFFFAOYSA-N 1 0 342.403 1.988 20 5 EDBDRO Cc1c(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000372889785 445905911 /nfs/dbraw/zinc/90/59/11/445905911.db2.gz IKYUXRCUMMURPO-ZWNOBZJWSA-N 1 0 334.332 1.635 20 5 EDBDRO CO[C@@H]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C[NH3+])C1 ZINC000359049807 445911886 /nfs/dbraw/zinc/91/18/86/445911886.db2.gz CIWDCDHWDJDCRX-ZIAGYGMSSA-N 1 0 336.392 1.280 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)C[N@@H+]1Cc1ccccc1 ZINC000356749990 445986652 /nfs/dbraw/zinc/98/66/52/445986652.db2.gz ZAKQAVWTKIOMAX-OCCSQVGLSA-N 1 0 343.387 1.721 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[NH+]1CCCC1 ZINC000354196145 445989242 /nfs/dbraw/zinc/98/92/42/445989242.db2.gz VTXKQIZZZXFEHD-UHFFFAOYSA-N 1 0 334.376 1.308 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)c(C)cc1[N+](=O)[O-] ZINC000582916747 325960145 /nfs/dbraw/zinc/96/01/45/325960145.db2.gz WRGYBAGLKCQOAE-GFCCVEGCSA-N 1 0 327.406 1.490 20 5 EDBDRO Cc1c(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cnn1C ZINC000583184024 326019551 /nfs/dbraw/zinc/01/95/51/326019551.db2.gz XIPWBJHDEJREGH-AWEZNQCLSA-N 1 0 334.376 1.508 20 5 EDBDRO CCO[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000583867503 326155657 /nfs/dbraw/zinc/15/56/57/326155657.db2.gz NQZHBYPTWHKDTL-JKSUJKDBSA-N 1 0 334.376 1.520 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366188501 446071756 /nfs/dbraw/zinc/07/17/56/446071756.db2.gz APJKZBNLQNUHHS-INIZCTEOSA-N 1 0 333.388 1.507 20 5 EDBDRO C[C@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000361931071 446080674 /nfs/dbraw/zinc/08/06/74/446080674.db2.gz XUZHVSHMSMMSTB-MAUKXSAKSA-N 1 0 348.447 1.432 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@](O)(c2nc(C)no2)C1 ZINC000369348028 446091048 /nfs/dbraw/zinc/09/10/48/446091048.db2.gz GSZRKVWMZOWDES-HNNXBMFYSA-N 1 0 334.332 1.388 20 5 EDBDRO CC[N@H+](CCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000359259073 446094102 /nfs/dbraw/zinc/09/41/02/446094102.db2.gz GPAJORSDSQHJKJ-UHFFFAOYSA-N 1 0 348.403 1.120 20 5 EDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000351502703 446109492 /nfs/dbraw/zinc/10/94/92/446109492.db2.gz MXAVJKBGHLXZIH-SNVBAGLBSA-N 1 0 336.323 1.025 20 5 EDBDRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351504359 446110528 /nfs/dbraw/zinc/11/05/28/446110528.db2.gz VVPIPXKQAUVMHO-UHFFFAOYSA-N 1 0 326.328 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O=C(COc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365542362 446246967 /nfs/dbraw/zinc/24/69/67/446246967.db2.gz ZCGBOIBCIXKXGQ-XKQJLSEDSA-N 1 0 345.399 1.916 20 5 EDBDRO CCC1(CC)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000362246620 446283934 /nfs/dbraw/zinc/28/39/34/446283934.db2.gz RNKUFJBGJHHOEK-ZDUSSCGKSA-N 1 0 328.438 1.760 20 5 EDBDRO CC1(C)C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CO1 ZINC000417895232 446377755 /nfs/dbraw/zinc/37/77/55/446377755.db2.gz POBXKHQCEWKIGW-LLVKDONJSA-N 1 0 343.405 1.030 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000370674382 446381247 /nfs/dbraw/zinc/38/12/47/446381247.db2.gz UYVGILIUTCNSNC-NWDGAFQWSA-N 1 0 325.390 1.133 20 5 EDBDRO CC[C@@H]([NH3+])CNc1ccc(C(=O)N[C@@H](C)C(=O)OC)cc1[N+](=O)[O-] ZINC000420256101 446435058 /nfs/dbraw/zinc/43/50/58/446435058.db2.gz CGZPHTJDXWAVCA-GXSJLCMTSA-N 1 0 338.364 1.035 20 5 EDBDRO [NH3+]C[C@H]1CCCCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 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JZKILMRFCZFQDJ-XJKSGUPXSA-N 1 0 348.403 1.529 20 5 EDBDRO O=C(NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])s1 ZINC000370760044 446420189 /nfs/dbraw/zinc/42/01/89/446420189.db2.gz PPIBUOOZXDCSQK-NEPJUHHUSA-N 1 0 339.417 1.887 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000376398529 446474296 /nfs/dbraw/zinc/47/42/96/446474296.db2.gz GYNPUBDQAOEWJZ-PJODQICGSA-N 1 0 330.388 1.733 20 5 EDBDRO NC(=O)c1ccc(CN2CCCC[C@@H]2Cn2ccnn2)c([N+](=O)[O-])c1 ZINC000374989323 446498065 /nfs/dbraw/zinc/49/80/65/446498065.db2.gz PXWZVISTQIZLDJ-CQSZACIVSA-N 1 0 344.375 1.340 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000375016743 446517295 /nfs/dbraw/zinc/51/72/95/446517295.db2.gz FXDODVQTRFZYMU-XJKSGUPXSA-N 1 0 332.404 1.949 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000376482067 446524377 /nfs/dbraw/zinc/52/43/77/446524377.db2.gz PJVDHDGXXHDYJS-STQMWFEESA-N 1 0 332.360 1.276 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCC[NH2+]C1CC1 ZINC000420444301 446620288 /nfs/dbraw/zinc/62/02/88/446620288.db2.gz CGGFMJBMTFJKEG-UHFFFAOYSA-N 1 0 327.406 1.632 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC[NH2+]1 ZINC000418616124 446617894 /nfs/dbraw/zinc/61/78/94/446617894.db2.gz YKJFLDBYQLXOPI-NEPJUHHUSA-N 1 0 334.376 1.508 20 5 EDBDRO CCOc1ccc(NC(=O)CN2C[C@@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000420396137 446570024 /nfs/dbraw/zinc/57/00/24/446570024.db2.gz LUQUOWPRUXSJEO-VXGBXAGGSA-N 1 0 336.392 1.614 20 5 EDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420429157 446604199 /nfs/dbraw/zinc/60/41/99/446604199.db2.gz UAARRUTXJSTPGW-NEPJUHHUSA-N 1 0 327.406 1.136 20 5 EDBDRO C[C@@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420473160 446648211 /nfs/dbraw/zinc/64/82/11/446648211.db2.gz DAXJDGOCLQXKPF-OCCSQVGLSA-N 1 0 341.433 1.384 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420452558 446627837 /nfs/dbraw/zinc/62/78/37/446627837.db2.gz SUJBOWFVZLPUOO-JQWIXIFHSA-N 1 0 327.406 1.563 20 5 EDBDRO COc1ccc(C(=O)NC[C@H]2CN3CCCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000371276813 446735635 /nfs/dbraw/zinc/73/56/35/446735635.db2.gz AFAUCWUNCKBUBR-KBPBESRZSA-N 1 0 349.387 1.587 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1cnc2n1CCCC2 ZINC000375382080 446760451 /nfs/dbraw/zinc/76/04/51/446760451.db2.gz UZOQFGZQYJDDGA-UHFFFAOYSA-N 1 0 348.334 1.962 20 5 EDBDRO NS(=O)(=O)c1cccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000368297488 446766190 /nfs/dbraw/zinc/76/61/90/446766190.db2.gz FHUISIHXJNVWKY-GHMZBOCLSA-N 1 0 340.405 1.281 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420786276 446820445 /nfs/dbraw/zinc/82/04/45/446820445.db2.gz VGFPHBGSGCLAJJ-CQSZACIVSA-N 1 0 336.392 1.839 20 5 EDBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1ccc([N+](=O)[O-])cc1F ZINC000454280955 446833768 /nfs/dbraw/zinc/83/37/68/446833768.db2.gz UYISSUGGQZXBRW-LBPRGKRZSA-N 1 0 340.355 1.702 20 5 EDBDRO O=[N+]([O-])c1cnc(N2CCC(CC[NH+]3CCOCC3)CC2)s1 ZINC000375580747 446904014 /nfs/dbraw/zinc/90/40/14/446904014.db2.gz DZSYPGPWLQUGKG-UHFFFAOYSA-N 1 0 326.422 1.990 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@](O)(Cc3ccc(F)cc3)C2)n1 ZINC000420973768 446945777 /nfs/dbraw/zinc/94/57/77/446945777.db2.gz CTOJMIGGSOLYGE-INIZCTEOSA-N 1 0 334.351 1.610 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000419240189 447025299 /nfs/dbraw/zinc/02/52/99/447025299.db2.gz BDJRPMGRRVEKCO-OCCSQVGLSA-N 1 0 348.403 1.339 20 5 EDBDRO CCOC(=O)c1ccnc(NCC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000413437230 447180887 /nfs/dbraw/zinc/18/08/87/447180887.db2.gz JWAMQVTVBCGQEU-GFCCVEGCSA-N 1 0 336.392 2.310 20 5 EDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415463219 447453964 /nfs/dbraw/zinc/45/39/64/447453964.db2.gz QDVSHFGUKVPGRJ-KWQFWETISA-N 1 0 340.767 1.430 20 5 EDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415508145 447486836 /nfs/dbraw/zinc/48/68/36/447486836.db2.gz UPBGBFOGFMAGAY-ZDUSSCGKSA-N 1 0 340.355 1.504 20 5 EDBDRO Cc1nc(NCc2ccncc2OCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000450527036 447516759 /nfs/dbraw/zinc/51/67/59/447516759.db2.gz IQOTVJBAPAAATL-UHFFFAOYSA-N 1 0 332.364 1.641 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000427621377 447622705 /nfs/dbraw/zinc/62/27/05/447622705.db2.gz NEZOEKOMBIXCPN-ZYHUDNBSSA-N 1 0 335.360 1.023 20 5 EDBDRO CC1(C)CCC[NH2+][C@H]1CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000420234738 447682162 /nfs/dbraw/zinc/68/21/62/447682162.db2.gz BNAXGHAQNCRPJT-ZDUSSCGKSA-N 1 0 342.421 1.432 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@](C)(C[NH3+])C2CC2)cc([N+](=O)[O-])c1 ZINC000422831435 447763371 /nfs/dbraw/zinc/76/33/71/447763371.db2.gz SVMNJFKCSKSBLO-MRXNPFEDSA-N 1 0 335.360 1.629 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000429154655 447730583 /nfs/dbraw/zinc/73/05/83/447730583.db2.gz LRBYGCPBDLNKGI-NWDGAFQWSA-N 1 0 349.387 1.494 20 5 EDBDRO COC(=O)COc1ccc(CN2C[C@@H]3C[C@H]2CS3)cc1[N+](=O)[O-] ZINC000459775382 447760581 /nfs/dbraw/zinc/76/05/81/447760581.db2.gz QKRIHUZMXRJDOX-RYUDHWBXSA-N 1 0 338.385 1.836 20 5 EDBDRO Cc1cc(OCC(=O)Nc2ccn(CC[NH+](C)C)n2)ccc1[N+](=O)[O-] ZINC000430416381 447773637 /nfs/dbraw/zinc/77/36/37/447773637.db2.gz IEGWEVCMGKOOSB-UHFFFAOYSA-N 1 0 347.375 1.679 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC[C@@H]([NH3+])C(C)C ZINC000430558044 447778675 /nfs/dbraw/zinc/77/86/75/447778675.db2.gz PJXDZHICPYUXAL-CYBMUJFWSA-N 1 0 338.408 1.847 20 5 EDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000451917726 447783779 /nfs/dbraw/zinc/78/37/79/447783779.db2.gz NZQGCPKTEUCSKD-HUUCEWRRSA-N 1 0 346.431 1.942 20 5 EDBDRO C[C@H](C[C@@H]1CCCO1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569650474 447858102 /nfs/dbraw/zinc/85/81/02/447858102.db2.gz LCQDZOOJPLVDRC-OCCSQVGLSA-N 1 0 342.417 1.916 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000530806430 447960880 /nfs/dbraw/zinc/96/08/80/447960880.db2.gz RLFQRRRGIMJBGI-LLVKDONJSA-N 1 0 334.376 1.300 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000525820136 448033663 /nfs/dbraw/zinc/03/36/63/448033663.db2.gz SBZLUUMQWDKWPZ-NSHDSACASA-N 1 0 327.406 1.523 20 5 EDBDRO CN(C)c1cccnc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576460514 448060720 /nfs/dbraw/zinc/06/07/20/448060720.db2.gz XFTMOTJCZSGNOX-CQSZACIVSA-N 1 0 346.387 1.585 20 5 EDBDRO CC(C)N(C)c1ccccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570795196 448065080 /nfs/dbraw/zinc/06/50/80/448065080.db2.gz PXMBXYUJLXHWBZ-INIZCTEOSA-N 1 0 347.419 1.787 20 5 EDBDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](O)C(F)F ZINC000571284465 448128040 /nfs/dbraw/zinc/12/80/40/448128040.db2.gz XSTKWDHPVIQCKL-GBIKHYSHSA-N 1 0 334.319 1.329 20 5 EDBDRO COc1ccc(CC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1[N+](=O)[O-] ZINC000577491737 448312376 /nfs/dbraw/zinc/31/23/76/448312376.db2.gz JBJFOBRWWXRVDZ-OKILXGFUSA-N 1 0 333.388 1.604 20 5 EDBDRO O=C(NCC[NH2+]C1CC1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000591356572 448339870 /nfs/dbraw/zinc/33/98/70/448339870.db2.gz YXNNBKNZCFMLAZ-UHFFFAOYSA-N 1 0 326.784 1.842 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000591449933 448368372 /nfs/dbraw/zinc/36/83/72/448368372.db2.gz IWBRBMRRRKHGQM-KCJUWKMLSA-N 1 0 331.781 1.231 20 5 EDBDRO O=C(CN1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000591449600 448368580 /nfs/dbraw/zinc/36/85/80/448368580.db2.gz XYVIPIJMFUZQLQ-SWLSCSKDSA-N 1 0 330.388 1.168 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000591450954 448369702 /nfs/dbraw/zinc/36/97/02/448369702.db2.gz FPXMKAIKYPKQOT-QMTHXVAHSA-N 1 0 343.405 1.209 20 5 EDBDRO CC[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC[C@@H]1[NH3+] ZINC000591346289 448332902 /nfs/dbraw/zinc/33/29/02/448332902.db2.gz PFEZWZRDBAIQOS-FZMZJTMJSA-N 1 0 336.392 1.872 20 5 EDBDRO C[N@@H+]1CCN(CCNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000582943588 448383477 /nfs/dbraw/zinc/38/34/77/448383477.db2.gz ZWRMOQAWAKNDDP-UHFFFAOYSA-N 1 0 349.435 1.420 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(-n3cccn3)cc2)c1 ZINC000516275332 448406175 /nfs/dbraw/zinc/40/61/75/448406175.db2.gz KWMXVNBSABFLIX-MRXNPFEDSA-N 1 0 342.359 1.128 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000591735095 448476849 /nfs/dbraw/zinc/47/68/49/448476849.db2.gz RLTNSIAKWCXBBE-LSDHHAIUSA-N 1 0 335.404 1.408 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CC[C@H](O)CC2)cc1 ZINC000591771726 448488401 /nfs/dbraw/zinc/48/84/01/448488401.db2.gz QQZRXHXSRUABOF-AULYBMBSSA-N 1 0 328.390 1.262 20 5 EDBDRO O=C(C[C@H]1CSCC[NH2+]1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000584345541 448490168 /nfs/dbraw/zinc/49/01/68/448490168.db2.gz WLJZTVRBGJCDMC-NSHDSACASA-N 1 0 325.390 1.185 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000572964869 448508816 /nfs/dbraw/zinc/50/88/16/448508816.db2.gz QEDQCZCFJKLZEY-ZDUSSCGKSA-N 1 0 348.403 1.751 20 5 EDBDRO CNc1nccc(C(=O)NCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000578429176 448542708 /nfs/dbraw/zinc/54/27/08/448542708.db2.gz YWJWGAALHDYLIJ-UHFFFAOYSA-N 1 0 335.408 1.883 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000536883465 448545730 /nfs/dbraw/zinc/54/57/30/448545730.db2.gz WPHCUORNLPXVJJ-OLZOCXBDSA-N 1 0 341.433 1.978 20 5 EDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1nccc2c1cccc2[N+](=O)[O-] ZINC000591985439 448610940 /nfs/dbraw/zinc/61/09/40/448610940.db2.gz NONMFKBLJJHIHX-GFCCVEGCSA-N 1 0 343.387 1.699 20 5 EDBDRO Nc1nc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c2c([nH+]1)CCCC2 ZINC000591935495 448589255 /nfs/dbraw/zinc/58/92/55/448589255.db2.gz KUTZYIFFFJICBJ-UHFFFAOYSA-N 1 0 343.391 1.884 20 5 EDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000578988897 448687697 /nfs/dbraw/zinc/68/76/97/448687697.db2.gz RACPMPFJKSCHQE-NWDGAFQWSA-N 1 0 348.403 1.328 20 5 EDBDRO Cc1ncc([N+](=O)[O-])c(OCC(=O)NC2CC[NH+](C3CC3)CC2)c1C ZINC000518398490 448676526 /nfs/dbraw/zinc/67/65/26/448676526.db2.gz SZRANVBWDLJGMC-UHFFFAOYSA-N 1 0 348.403 1.728 20 5 EDBDRO Cc1ccccc1[C@H](CO)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000542910341 448731895 /nfs/dbraw/zinc/73/18/95/448731895.db2.gz SEFZTHBYFGKTRA-YJBOKZPZSA-N 1 0 346.383 1.966 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000519522841 448776219 /nfs/dbraw/zinc/77/62/19/448776219.db2.gz CKVVMRWXYPOZLF-CJNGLKHVSA-N 1 0 328.372 1.712 20 5 EDBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000592381619 448813746 /nfs/dbraw/zinc/81/37/46/448813746.db2.gz ZLFIYXMFJDBFBX-DZGCQCFKSA-N 1 0 339.417 1.151 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](c2ccccc2)C2CC2)c1 ZINC000519594687 448793637 /nfs/dbraw/zinc/79/36/37/448793637.db2.gz JXJNTZYCOBRZHL-DLBZAZTESA-N 1 0 330.388 1.936 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000592381804 448814587 /nfs/dbraw/zinc/81/45/87/448814587.db2.gz FOFAYVCQWNCLIX-ZFWWWQNUSA-N 1 0 341.433 1.526 20 5 EDBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000592342915 448799612 /nfs/dbraw/zinc/79/96/12/448799612.db2.gz IMNIFJTTWXVDSQ-GOEBONIOSA-N 1 0 333.388 1.953 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000592388752 448818907 /nfs/dbraw/zinc/81/89/07/448818907.db2.gz MMYUQCHRULNLPR-LLVKDONJSA-N 1 0 343.405 1.495 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)CCCC[NH3+] ZINC000592390492 448820390 /nfs/dbraw/zinc/82/03/90/448820390.db2.gz XJTYVNLNCHYKHG-SNVBAGLBSA-N 1 0 331.394 1.399 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000592428561 448831630 /nfs/dbraw/zinc/83/16/30/448831630.db2.gz AUGTVSYIIFWHAX-NOZJJQNGSA-N 1 0 331.319 1.744 20 5 EDBDRO COc1ccc(S(=O)(=O)NC[C@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000548042550 448973960 /nfs/dbraw/zinc/97/39/60/448973960.db2.gz RNWPBUGCJAVPND-NSHDSACASA-N 1 0 343.405 1.366 20 5 EDBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548086158 448980789 /nfs/dbraw/zinc/98/07/89/448980789.db2.gz VFCJLJUBSVPWHS-UHFFFAOYSA-N 1 0 333.348 1.648 20 5 EDBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548089413 448981373 /nfs/dbraw/zinc/98/13/73/448981373.db2.gz JWTOKKHCDWGBSZ-FZMZJTMJSA-N 1 0 329.360 1.568 20 5 EDBDRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000588868818 448942837 /nfs/dbraw/zinc/94/28/37/448942837.db2.gz GTJJRWMBGGOFAG-GFCCVEGCSA-N 1 0 327.768 1.435 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c1 ZINC000589497621 449026012 /nfs/dbraw/zinc/02/60/12/449026012.db2.gz WCWGAPICEACZNB-LBPRGKRZSA-N 1 0 349.387 1.859 20 5 EDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595608384 449077246 /nfs/dbraw/zinc/07/72/46/449077246.db2.gz OSLPOOWMFRFMGS-OLZOCXBDSA-N 1 0 344.375 1.535 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)C[NH+](C)C ZINC000589921693 449079840 /nfs/dbraw/zinc/07/98/40/449079840.db2.gz NWCNPDIMMDKFOG-SNVBAGLBSA-N 1 0 331.394 1.079 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1C ZINC000589924433 449081713 /nfs/dbraw/zinc/08/17/13/449081713.db2.gz CAWNWXJBGSVBJO-JSGCOSHPSA-N 1 0 339.417 1.536 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c1C ZINC000589930116 449084686 /nfs/dbraw/zinc/08/46/86/449084686.db2.gz SQQWYPVKRRKAPX-TZMCWYRMSA-N 1 0 339.417 1.536 20 5 EDBDRO C[NH+](C)CCN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1=O ZINC000593655560 449132836 /nfs/dbraw/zinc/13/28/36/449132836.db2.gz RJYCDDXWODDGRB-FNORWQNLSA-N 1 0 332.404 1.314 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000590012789 449096368 /nfs/dbraw/zinc/09/63/68/449096368.db2.gz YNJMFWGCXJDUMK-SMDDNHRTSA-N 1 0 334.376 1.178 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599892441 449102267 /nfs/dbraw/zinc/10/22/67/449102267.db2.gz XDFABDRFMIGOOS-CQSZACIVSA-N 1 0 346.387 1.497 20 5 EDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000599904241 449105056 /nfs/dbraw/zinc/10/50/56/449105056.db2.gz ZCXRTHLDPIDXMO-GXFFZTMASA-N 1 0 348.403 1.697 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593053287 449115450 /nfs/dbraw/zinc/11/54/50/449115450.db2.gz YSSIMHKHRQUCLG-CQSZACIVSA-N 1 0 334.420 1.670 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593053284 449115491 /nfs/dbraw/zinc/11/54/91/449115491.db2.gz YSSIMHKHRQUCLG-AWEZNQCLSA-N 1 0 334.420 1.670 20 5 EDBDRO CCO[C@@H]1CN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593703869 449153235 /nfs/dbraw/zinc/15/32/35/449153235.db2.gz QQRXTLOQTYYVHB-UXIGCNINSA-N 1 0 336.392 1.661 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1[C@@H](C)O ZINC000595766199 449156054 /nfs/dbraw/zinc/15/60/54/449156054.db2.gz MVMAEGDIGYPJOE-BXUZGUMPSA-N 1 0 337.376 1.777 20 5 EDBDRO O=C1[C@H]([N@@H+]2CCC[C@@](O)(C3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595750835 449146787 /nfs/dbraw/zinc/14/67/87/449146787.db2.gz OFMREIBPRLQVGW-AEFFLSMTSA-N 1 0 345.399 1.937 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000590402387 449149056 /nfs/dbraw/zinc/14/90/56/449149056.db2.gz SSYROQZMCXOKTP-NEPJUHHUSA-N 1 0 325.390 1.592 20 5 EDBDRO CCN1C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593689180 449149073 /nfs/dbraw/zinc/14/90/73/449149073.db2.gz KJIXADJUYGXSSF-QWHCGFSZSA-N 1 0 348.403 1.770 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000590403237 449150085 /nfs/dbraw/zinc/15/00/85/449150085.db2.gz ZVLJTHDRKATFHR-HZPDHXFCSA-N 1 0 349.387 1.295 20 5 EDBDRO CNS(=O)(=O)c1ccc(N2CC[C@H]([NH+](C)C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000590569105 449195134 /nfs/dbraw/zinc/19/51/34/449195134.db2.gz LEGURIXNOJOVIO-JQWIXIFHSA-N 1 0 342.421 1.032 20 5 EDBDRO COCC(=O)NC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000611261303 449241731 /nfs/dbraw/zinc/24/17/31/449241731.db2.gz LGMHNAGPLBBYTD-GQCTYLIASA-N 1 0 333.388 1.835 20 5 EDBDRO CN(CC1C[NH+](C)C1)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000598162015 449267455 /nfs/dbraw/zinc/26/74/55/449267455.db2.gz GIVCJOLTXHWSTK-UHFFFAOYSA-N 1 0 344.371 1.542 20 5 EDBDRO Cn1cc(C(=O)NCC23CC(C2)C[NH2+]3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595952039 449277224 /nfs/dbraw/zinc/27/72/24/449277224.db2.gz WJZNBKYFDXRQSG-UHFFFAOYSA-N 1 0 341.371 1.477 20 5 EDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000593916462 449284799 /nfs/dbraw/zinc/28/47/99/449284799.db2.gz KRVBIXICRRMDDX-BXUZGUMPSA-N 1 0 337.376 1.429 20 5 EDBDRO CC(C)[C@H](O)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000596065221 449343714 /nfs/dbraw/zinc/34/37/14/449343714.db2.gz GWZBGZRPEKSTFC-ULQDDVLXSA-N 1 0 348.403 1.500 20 5 EDBDRO C[N@H+](CCc1ccccc1)CC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000602122525 449362484 /nfs/dbraw/zinc/36/24/84/449362484.db2.gz DSIFMWFDWCMAIJ-UHFFFAOYSA-N 1 0 331.376 1.082 20 5 EDBDRO Cc1cccc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598453181 449403681 /nfs/dbraw/zinc/40/36/81/449403681.db2.gz PRRVIDKUUYRDPE-AWEZNQCLSA-N 1 0 333.388 1.574 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594236620 449404311 /nfs/dbraw/zinc/40/43/11/449404311.db2.gz XTTOEFIDXWKRER-VHDGCEQUSA-N 1 0 348.403 1.425 20 5 EDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000594351390 449462381 /nfs/dbraw/zinc/46/23/81/449462381.db2.gz XEGPHEMUHDVMKY-GFCCVEGCSA-N 1 0 339.392 1.426 20 5 EDBDRO C[NH+](C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000596242332 449435871 /nfs/dbraw/zinc/43/58/71/449435871.db2.gz DJYNURYUFNAZFU-AWEZNQCLSA-N 1 0 346.387 1.903 20 5 EDBDRO C[C@@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@]1(C)C[NH3+] ZINC000598667966 449529523 /nfs/dbraw/zinc/52/95/23/449529523.db2.gz IVXWMPKEGBPGAF-BDJLRTHQSA-N 1 0 349.391 1.160 20 5 EDBDRO C[C@H]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000598667587 449529957 /nfs/dbraw/zinc/52/99/57/449529957.db2.gz GLJZANZJKCIEDW-NWDGAFQWSA-N 1 0 349.391 1.160 20 5 EDBDRO O=C(CC[NH2+][C@H]1CCN(C2CCC2)C1=O)Nc1ccccc1[N+](=O)[O-] ZINC000600758168 449536599 /nfs/dbraw/zinc/53/65/99/449536599.db2.gz BZRQKMWWBZQSKD-AWEZNQCLSA-N 1 0 346.387 1.666 20 5 EDBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC([N@@H+]4CC[C@H](O)C4)CC3)c21 ZINC000596538460 449545493 /nfs/dbraw/zinc/54/54/93/449545493.db2.gz KYPWILMNZGHBGV-ZDUSSCGKSA-N 1 0 343.387 1.573 20 5 EDBDRO C[NH+](C)CCNc1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cn1 ZINC000600795481 449548959 /nfs/dbraw/zinc/54/89/59/449548959.db2.gz XVWBDFLOROUMTC-UHFFFAOYSA-N 1 0 330.388 2.165 20 5 EDBDRO O=c1[nH]ccc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1[N+](=O)[O-] ZINC000596425283 449495971 /nfs/dbraw/zinc/49/59/71/449495971.db2.gz XMRWZVNYCAKGLA-CQSZACIVSA-N 1 0 344.371 1.874 20 5 EDBDRO CN(C)C(=O)CN(CC[NH+](C)C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000596460853 449514703 /nfs/dbraw/zinc/51/47/03/449514703.db2.gz BUFVULITVCRNFK-UHFFFAOYSA-N 1 0 329.788 1.099 20 5 EDBDRO C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1CO ZINC000598645294 449514854 /nfs/dbraw/zinc/51/48/54/449514854.db2.gz CBDPSYRRXHJOCI-XJKCOSOUSA-N 1 0 333.388 1.650 20 5 EDBDRO CO[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@](C)(C[NH3+])C1 ZINC000600880077 449584220 /nfs/dbraw/zinc/58/42/20/449584220.db2.gz OXJVTKYITUYSNE-YGRLFVJLSA-N 1 0 327.768 1.827 20 5 EDBDRO O=C1[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCN1C1CCOCC1 ZINC000594498969 449558694 /nfs/dbraw/zinc/55/86/94/449558694.db2.gz OHVPNQUPLXZQJL-JKSUJKDBSA-N 1 0 345.399 1.952 20 5 EDBDRO COc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC000598720353 449562122 /nfs/dbraw/zinc/56/21/22/449562122.db2.gz OIWSBVCOEMGOHH-IINYFYTJSA-N 1 0 341.389 1.105 20 5 EDBDRO Cc1cccc(N2CCN(C(=O)N3CC[NH2+]CC3)CC2)c1[N+](=O)[O-] ZINC000600945949 449608416 /nfs/dbraw/zinc/60/84/16/449608416.db2.gz BKWWKSXWLWFXFR-UHFFFAOYSA-N 1 0 333.392 1.050 20 5 EDBDRO C[NH2+]CCOCCNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000600950610 449611961 /nfs/dbraw/zinc/61/19/61/449611961.db2.gz AJKZKYYXGXILAJ-UHFFFAOYSA-N 1 0 333.186 1.709 20 5 EDBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594756821 449672230 /nfs/dbraw/zinc/67/22/30/449672230.db2.gz JXTDBSLLTLDNES-LBPRGKRZSA-N 1 0 342.421 1.342 20 5 EDBDRO C[NH+](C)CC1(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])CCCC1 ZINC000594770172 449683510 /nfs/dbraw/zinc/68/35/10/449683510.db2.gz ZBNHDGZAKPETOH-UHFFFAOYSA-N 1 0 342.421 1.390 20 5 EDBDRO C[NH+](C)C[C@H]1CCCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598896890 449635557 /nfs/dbraw/zinc/63/55/57/449635557.db2.gz QZWIIIVQSKAUBH-CQSZACIVSA-N 1 0 349.391 1.269 20 5 EDBDRO C[NH2+]CCCN(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000602512410 449640421 /nfs/dbraw/zinc/64/04/21/449640421.db2.gz USAXGTJOIQVPLK-UHFFFAOYSA-N 1 0 335.339 1.601 20 5 EDBDRO C[C@@H]1CC[C@@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000599105727 449738425 /nfs/dbraw/zinc/73/84/25/449738425.db2.gz PWSDQHYWYCVVRD-DGCLKSJQSA-N 1 0 327.406 1.197 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000601149567 449718707 /nfs/dbraw/zinc/71/87/07/449718707.db2.gz MXHSFXRWJNWKNY-NTZNESFSSA-N 1 0 338.360 1.802 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[C@@H](C)[NH+](C)C ZINC000594818711 449727816 /nfs/dbraw/zinc/72/78/16/449727816.db2.gz YPKINCNTIZUENS-GFCCVEGCSA-N 1 0 329.422 1.830 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000599100130 449731686 /nfs/dbraw/zinc/73/16/86/449731686.db2.gz FUAZYMJWVJETGW-CYBMUJFWSA-N 1 0 327.406 1.522 20 5 EDBDRO C[C@@H](C(=O)NCCCN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617690062 449737142 /nfs/dbraw/zinc/73/71/42/449737142.db2.gz OTZONHKRQIADKT-CQSZACIVSA-N 1 0 334.420 1.452 20 5 EDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000602594381 449693769 /nfs/dbraw/zinc/69/37/69/449693769.db2.gz ATYIZKURYWQPDN-TZMCWYRMSA-N 1 0 332.404 1.759 20 5 EDBDRO O=[N+]([O-])c1cc(Br)cnc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599175980 449781171 /nfs/dbraw/zinc/78/11/71/449781171.db2.gz MBZCRCPGSHAWEK-SECBINFHSA-N 1 0 331.170 1.231 20 5 EDBDRO CCC1([NH+]2CCOCC2)CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000599186400 449785337 /nfs/dbraw/zinc/78/53/37/449785337.db2.gz FJPGTGHWVNBABC-UHFFFAOYSA-N 1 0 337.424 1.718 20 5 EDBDRO C[N@@H+]1CCCC[C@H](CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000599138128 449758928 /nfs/dbraw/zinc/75/89/28/449758928.db2.gz GRVSSRGYEIVVGR-LLVKDONJSA-N 1 0 342.421 1.386 20 5 EDBDRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602709615 449761714 /nfs/dbraw/zinc/76/17/14/449761714.db2.gz OEUOKKXRJCWVIT-UHFFFAOYSA-N 1 0 349.391 1.188 20 5 EDBDRO C[NH+](C)C[C@H](CO)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000614851126 449845291 /nfs/dbraw/zinc/84/52/91/449845291.db2.gz GRVQPTHGHVRATJ-GFCCVEGCSA-N 1 0 339.395 1.334 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000602796966 449816188 /nfs/dbraw/zinc/81/61/88/449816188.db2.gz LDEMGXUCCLFNBQ-RBSFLKMASA-N 1 0 337.424 1.283 20 5 EDBDRO COc1cc(C[NH2+]C[C@H](OC)[C@@H]2CCOC2)c([N+](=O)[O-])cc1O ZINC000594949513 449818380 /nfs/dbraw/zinc/81/83/80/449818380.db2.gz DHFVPKITWXVQLE-BMIGLBTASA-N 1 0 326.349 1.450 20 5 EDBDRO Cc1noc(C)c1CO[C@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602810018 449825367 /nfs/dbraw/zinc/82/53/67/449825367.db2.gz JTQRQJVCFZJPIG-AWEZNQCLSA-N 1 0 349.391 1.996 20 5 EDBDRO CN(CCCC[NH+](C)C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000612678943 449830686 /nfs/dbraw/zinc/83/06/86/449830686.db2.gz LIGVRMFKWHYDHL-UHFFFAOYSA-N 1 0 329.422 1.698 20 5 EDBDRO CC1(C)CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[N@@H+]1CCO ZINC000614829032 449838039 /nfs/dbraw/zinc/83/80/39/449838039.db2.gz CIOXEBCCNDULRV-UHFFFAOYSA-N 1 0 331.376 1.431 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000602826918 449838291 /nfs/dbraw/zinc/83/82/91/449838291.db2.gz ORRQNUOFIUGYDE-QGZVFWFLSA-N 1 0 330.388 1.913 20 5 EDBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCC[N@@H+]1CC[C@H](O)C1 ZINC000599199430 449794152 /nfs/dbraw/zinc/79/41/52/449794152.db2.gz KPYZUPLYZORGRS-NSHDSACASA-N 1 0 332.360 1.052 20 5 EDBDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602847740 449854196 /nfs/dbraw/zinc/85/41/96/449854196.db2.gz BATLNESTDHHULS-LBPRGKRZSA-N 1 0 349.313 1.100 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](c3cccnc3)C2)c1 ZINC000602852708 449859003 /nfs/dbraw/zinc/85/90/03/449859003.db2.gz GMMWEEVNAFNEOR-HOCLYGCPSA-N 1 0 331.376 1.427 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601352414 449866339 /nfs/dbraw/zinc/86/63/39/449866339.db2.gz UPQGRWGMXBHAIC-GXTWGEPZSA-N 1 0 339.417 1.666 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000601370564 449885054 /nfs/dbraw/zinc/88/50/54/449885054.db2.gz ZGXGAEJFPVDJCF-ZWNOBZJWSA-N 1 0 345.396 1.613 20 5 EDBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601338643 449847291 /nfs/dbraw/zinc/84/72/91/449847291.db2.gz JSPDEUUWWLKKBS-SECBINFHSA-N 1 0 335.451 1.973 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000595150955 449904243 /nfs/dbraw/zinc/90/42/43/449904243.db2.gz DMZDXSKJBCBAGA-UHFFFAOYSA-N 1 0 334.376 1.170 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)nc1 ZINC000599464214 449996518 /nfs/dbraw/zinc/99/65/18/449996518.db2.gz KHGSYFGJDAFLSD-GFCCVEGCSA-N 1 0 340.405 1.285 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000599413008 449958163 /nfs/dbraw/zinc/95/81/63/449958163.db2.gz RETLWGPMIFRVBF-ZDUSSCGKSA-N 1 0 341.433 1.913 20 5 EDBDRO C[C@@H]1CN(CC[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000602962992 449964442 /nfs/dbraw/zinc/96/44/42/449964442.db2.gz QXKRQAVNGVPJFJ-CPUCHLNUSA-N 1 0 337.420 1.501 20 5 EDBDRO C[C@H]1CCCN1C(=O)CC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602966139 449968398 /nfs/dbraw/zinc/96/83/98/449968398.db2.gz YDHCHQXJIONPKJ-SUMWQHHRSA-N 1 0 335.404 1.793 20 5 EDBDRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000595242316 449970292 /nfs/dbraw/zinc/97/02/92/449970292.db2.gz SKKUGRVNXNGQCA-UHFFFAOYSA-N 1 0 340.767 1.574 20 5 EDBDRO COc1cc(CCNC(=O)[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000609200465 449976391 /nfs/dbraw/zinc/97/63/91/449976391.db2.gz FXHDSOMRRUSGFF-GFCCVEGCSA-N 1 0 337.376 1.222 20 5 EDBDRO C[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H]1CCC[NH3+] ZINC000595258813 449981270 /nfs/dbraw/zinc/98/12/70/449981270.db2.gz VJKFZCNJQDYRNM-TZMCWYRMSA-N 1 0 336.392 1.123 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000595258049 449981713 /nfs/dbraw/zinc/98/17/13/449981713.db2.gz RAPQGNGRYKFNJW-HNNXBMFYSA-N 1 0 345.359 1.481 20 5 EDBDRO COc1ccc(CC(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000601559645 450072545 /nfs/dbraw/zinc/07/25/45/450072545.db2.gz VMANGFHBWHHRHN-KBPBESRZSA-N 1 0 333.388 1.746 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609387938 450022497 /nfs/dbraw/zinc/02/24/97/450022497.db2.gz PSMZGWQSVSWOHO-CYBMUJFWSA-N 1 0 339.417 1.666 20 5 EDBDRO O=[N+]([O-])c1ccc(CCN2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000609626429 450074402 /nfs/dbraw/zinc/07/44/02/450074402.db2.gz CVNDTXQGMPYOPK-UHFFFAOYSA-N 1 0 332.448 1.851 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000599639058 450121095 /nfs/dbraw/zinc/12/10/95/450121095.db2.gz XAIRXXJCNGNOGO-WMLDXEAASA-N 1 0 334.372 1.976 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000595410545 450122028 /nfs/dbraw/zinc/12/20/28/450122028.db2.gz DUUPTSQWIPYNGV-ZDUSSCGKSA-N 1 0 327.406 1.522 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000599672345 450142454 /nfs/dbraw/zinc/14/24/54/450142454.db2.gz LZCLMNJORHLERF-SDDRHHMPSA-N 1 0 337.376 1.633 20 5 EDBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000610212304 450153743 /nfs/dbraw/zinc/15/37/43/450153743.db2.gz GRDZLTSGCQJLAP-GFCCVEGCSA-N 1 0 340.405 1.239 20 5 EDBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)NCCC[NH+]1CCCCC1 ZINC000610259635 450172646 /nfs/dbraw/zinc/17/26/46/450172646.db2.gz AMWBCMQASSAEKJ-UHFFFAOYSA-N 1 0 328.394 1.144 20 5 EDBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000597654201 450173166 /nfs/dbraw/zinc/17/31/66/450173166.db2.gz PLXCKLLGMUPRHG-VIFPVBQESA-N 1 0 346.181 1.010 20 5 EDBDRO C[NH+](C)C1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599720581 450177924 /nfs/dbraw/zinc/17/79/24/450177924.db2.gz OJFDQLJPZYGZMU-UHFFFAOYSA-N 1 0 328.166 1.743 20 5 EDBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000610396698 450206336 /nfs/dbraw/zinc/20/63/36/450206336.db2.gz JOWYOVOLUZIEPO-CYBMUJFWSA-N 1 0 347.371 1.215 20 5 EDBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000184356775 533907188 /nfs/dbraw/zinc/90/71/88/533907188.db2.gz IMKJXUZSDRNRIG-CQSZACIVSA-N 1 0 334.420 1.280 20 5 EDBDRO C[C@@H]1CC[C@@](CO)([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000187938143 534203337 /nfs/dbraw/zinc/20/33/37/534203337.db2.gz XAMVVULBTSDQGD-UKPHBRMFSA-N 1 0 338.404 1.817 20 5 EDBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000236821436 534939350 /nfs/dbraw/zinc/93/93/50/534939350.db2.gz APYFVAJXLGOOJP-UHFFFAOYSA-N 1 0 331.394 1.399 20 5 EDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000081334828 535594833 /nfs/dbraw/zinc/59/48/33/535594833.db2.gz IBBGKTWOSQOIKN-CQSZACIVSA-N 1 0 337.424 1.680 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000332219372 536469103 /nfs/dbraw/zinc/46/91/03/536469103.db2.gz LUFNXXOEXIBWMD-KBPBESRZSA-N 1 0 339.779 1.793 20 5 EDBDRO COc1ccc(F)cc1[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000271656065 536639462 /nfs/dbraw/zinc/63/94/62/536639462.db2.gz JYFZVTDUJDJKGC-GXFFZTMASA-N 1 0 338.339 1.651 20 5 EDBDRO COc1cc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000345243539 536754344 /nfs/dbraw/zinc/75/43/44/536754344.db2.gz APMMJOWGHTVJEW-OAHLLOKOSA-N 1 0 335.404 1.900 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262501358 536956488 /nfs/dbraw/zinc/95/64/88/536956488.db2.gz MBWOHMPUZSLELI-UWVGGRQHSA-N 1 0 329.378 1.022 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000749391177 579724715 /nfs/dbraw/zinc/72/47/15/579724715.db2.gz AYDZGOTVLVPGFO-LBPRGKRZSA-N 1 0 341.433 1.776 20 5 EDBDRO COc1ccccc1[C@@H](O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749675403 579734417 /nfs/dbraw/zinc/73/44/17/579734417.db2.gz ZAYDCNRKVHAZNK-CVEARBPZSA-N 1 0 332.356 1.960 20 5 EDBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000750586010 579772304 /nfs/dbraw/zinc/77/23/04/579772304.db2.gz AXILPUFSASWHMT-UHFFFAOYSA-N 1 0 331.376 1.512 20 5 EDBDRO CC(C)CN1CCO[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000754250432 579899367 /nfs/dbraw/zinc/89/93/67/579899367.db2.gz HPLUTTVNVIWLKO-IRXDYDNUSA-N 1 0 337.420 1.575 20 5 EDBDRO C[N@@H+]1CC[C@](O)(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000763142972 580093910 /nfs/dbraw/zinc/09/39/10/580093910.db2.gz BOBPZIGGYPUGGK-AWEZNQCLSA-N 1 0 342.783 1.114 20 5 EDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000771399876 580285829 /nfs/dbraw/zinc/28/58/29/580285829.db2.gz XGOIHLKKGOZKCL-QWRGUYRKSA-N 1 0 325.340 1.664 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781611071 580553328 /nfs/dbraw/zinc/55/33/28/580553328.db2.gz WYCCFCZMMOUTRK-CYBMUJFWSA-N 1 0 336.348 1.646 20 5 EDBDRO CC1(C)CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000781675972 580554433 /nfs/dbraw/zinc/55/44/33/580554433.db2.gz CCZWODLKLUMKHD-YVMONPNESA-N 1 0 333.388 1.523 20 5 EDBDRO O=C(CC[N@@H+](CCO)CC1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782481809 580575778 /nfs/dbraw/zinc/57/57/78/580575778.db2.gz RQYTYJMVTRXDCU-UHFFFAOYSA-N 1 0 325.340 1.767 20 5 EDBDRO COCCN(Cn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCOC1 ZINC000782964408 580589452 /nfs/dbraw/zinc/58/94/52/580589452.db2.gz VDRIMQGGXCHPQO-LBPRGKRZSA-N 1 0 337.332 1.198 20 5 EDBDRO COc1cc(OCC(=O)NCC[N@@H+]2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000783919415 580608324 /nfs/dbraw/zinc/60/83/24/580608324.db2.gz XSZODZXUFHZFPC-GFCCVEGCSA-N 1 0 337.376 1.583 20 5 EDBDRO Cc1c(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)cccc1[N+](=O)[O-] ZINC000790543301 580772660 /nfs/dbraw/zinc/77/26/60/580772660.db2.gz OKLPRINLOKXULF-HNNXBMFYSA-N 1 0 333.388 1.773 20 5 EDBDRO C[C@H](c1ccccc1)[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000794716946 580904297 /nfs/dbraw/zinc/90/42/97/580904297.db2.gz ILPHJNWJMLDRDA-OAUYIBNBSA-N 1 0 343.383 1.875 20 5 EDBDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796375438 580952514 /nfs/dbraw/zinc/95/25/14/580952514.db2.gz JBOGGBGCFIDAOF-XYPHTWIQSA-N 1 0 335.404 1.423 20 5 EDBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000892170290 590841089 /nfs/dbraw/zinc/84/10/89/590841089.db2.gz GHUVPIGHSSVYEK-ZIAGYGMSSA-N 1 0 336.440 1.323 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1NCc1ccncc1OCCC[NH+](C)C ZINC000893887129 591128320 /nfs/dbraw/zinc/12/83/20/591128320.db2.gz WONGLNFZWVYMKA-UHFFFAOYSA-N 1 0 334.380 1.666 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000891667848 591176454 /nfs/dbraw/zinc/17/64/54/591176454.db2.gz QNWYYJBLPAXJBE-UHFFFAOYSA-N 1 0 331.380 1.087 20 5 EDBDRO CC(C)[NH+]1CCC(N2CCN(c3c([N+](=O)[O-])cnn3C)CC2)CC1 ZINC000892948895 591236543 /nfs/dbraw/zinc/23/65/43/591236543.db2.gz DZJSNHFVFLBKFD-UHFFFAOYSA-N 1 0 336.440 1.323 20 5 EDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1C[N@H+](C)CCN1C ZINC000896551517 591517266 /nfs/dbraw/zinc/51/72/66/591517266.db2.gz ZUNAIDKGROUIMR-QMTHXVAHSA-N 1 0 340.811 1.612 20 5 EDBDRO CNc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000896582719 591541333 /nfs/dbraw/zinc/54/13/33/591541333.db2.gz YHEOOJBMNUQLBU-NHYWBVRUSA-N 1 0 335.408 1.001 20 5 EDBDRO CC[NH+]1CCN(CCNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000897598366 591576322 /nfs/dbraw/zinc/57/63/22/591576322.db2.gz SBINVGGAMZIRRR-UHFFFAOYSA-N 1 0 334.420 1.579 20 5 EDBDRO C[N@@H+]1C[C@@H]2CN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896915374 591678111 /nfs/dbraw/zinc/67/81/11/591678111.db2.gz WPPLCFOPWGRBON-ABAIWWIYSA-N 1 0 339.417 1.386 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c1C ZINC000899152674 591709445 /nfs/dbraw/zinc/70/94/45/591709445.db2.gz ASJLFWWKRZFMIM-ZDUSSCGKSA-N 1 0 335.404 1.787 20 5 EDBDRO COc1cc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])cc1C ZINC000897218484 591773447 /nfs/dbraw/zinc/77/34/47/591773447.db2.gz DFZUVDOSCOEWCZ-UONOGXRCSA-N 1 0 335.404 1.947 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1C ZINC000898087670 591784534 /nfs/dbraw/zinc/78/45/34/591784534.db2.gz ABHLTSDSFAVDGN-ZDUSSCGKSA-N 1 0 348.403 1.404 20 5 EDBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000900426184 592014996 /nfs/dbraw/zinc/01/49/96/592014996.db2.gz OTQMEYKPCSQIRR-RRFJBIMHSA-N 1 0 332.404 1.732 20 5 EDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])n1cc(CNC2CC[NH+](C)CC2)nn1 ZINC000900534522 592049672 /nfs/dbraw/zinc/04/96/72/592049672.db2.gz GUZNLEXLNHUPHU-ZDUSSCGKSA-N 1 0 344.419 1.979 20 5 EDBDRO CN1C[C@H](CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000903213915 592140067 /nfs/dbraw/zinc/14/00/67/592140067.db2.gz QCEPEOJBMPCLDX-RDBSUJKOSA-N 1 0 335.408 1.733 20 5 EDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000908414081 592486725 /nfs/dbraw/zinc/48/67/25/592486725.db2.gz JXIXFTVVYIYFNL-DGCLKSJQSA-N 1 0 349.387 1.921 20 5 EDBDRO CN1CC[N@H+](C)CC(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000907087340 592515030 /nfs/dbraw/zinc/51/50/30/592515030.db2.gz RWLVOEXLKVKBEP-UHFFFAOYSA-N 1 0 346.431 1.579 20 5 EDBDRO Cc1cc(C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000908595097 592548018 /nfs/dbraw/zinc/54/80/18/592548018.db2.gz LOTWDMLUHIMBKD-UHFFFAOYSA-N 1 0 335.404 1.868 20 5 EDBDRO C[C@@H]1[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000905541931 592557144 /nfs/dbraw/zinc/55/71/44/592557144.db2.gz SKKRYTXLZWFMNB-BXUZGUMPSA-N 1 0 327.406 1.051 20 5 EDBDRO Cc1cc(N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000905711177 592620303 /nfs/dbraw/zinc/62/03/03/592620303.db2.gz AEUFNDKXIFFYOX-PBHICJAKSA-N 1 0 332.404 1.962 20 5 EDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000736102996 592988826 /nfs/dbraw/zinc/98/88/26/592988826.db2.gz WCBPWPDQLFXNNN-CQSZACIVSA-N 1 0 345.403 1.935 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CCO1 ZINC000911885563 593030757 /nfs/dbraw/zinc/03/07/57/593030757.db2.gz XSTMRZPGSVUMBC-HZMBPMFUSA-N 1 0 325.340 1.241 20 5 EDBDRO C/C(=C\C(=O)N(CCO)C1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000911941094 593040485 /nfs/dbraw/zinc/04/04/85/593040485.db2.gz CLDTUAWRBRSCMP-BUHFOSPRSA-N 1 0 347.415 1.913 20 5 EDBDRO CC[N@H+]1[C@H](C)CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1C ZINC000912027527 593049601 /nfs/dbraw/zinc/04/96/01/593049601.db2.gz RXNZVLLWIOCJQT-PHIMTYICSA-N 1 0 335.360 1.878 20 5 EDBDRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000808223610 593242619 /nfs/dbraw/zinc/24/26/19/593242619.db2.gz NYKSYPKQUNFKHN-SNVBAGLBSA-N 1 0 327.768 1.435 20 5 EDBDRO CO[C@H]1CCCN(CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000839988364 593298910 /nfs/dbraw/zinc/29/89/10/593298910.db2.gz NNJHTAAPGZIYQA-HOCLYGCPSA-N 1 0 335.360 1.600 20 5 EDBDRO CNC(=O)C1([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC000839516526 593309275 /nfs/dbraw/zinc/30/92/75/593309275.db2.gz IEJAAMNCTZSDQX-UHFFFAOYSA-N 1 0 334.376 1.572 20 5 EDBDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000816562005 593531702 /nfs/dbraw/zinc/53/17/02/593531702.db2.gz VLKJQKQFCYWXFZ-BPLDGKMQSA-N 1 0 342.417 1.574 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000817679597 593623165 /nfs/dbraw/zinc/62/31/65/593623165.db2.gz UPAJJDXOBHLJRY-SNVBAGLBSA-N 1 0 335.389 1.766 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000818003035 593655694 /nfs/dbraw/zinc/65/56/94/593655694.db2.gz NFEDDVBRVOTBCW-UHFFFAOYSA-N 1 0 347.419 1.123 20 5 EDBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000818519270 593702130 /nfs/dbraw/zinc/70/21/30/593702130.db2.gz MYSCVENKKQDEPF-MRXNPFEDSA-N 1 0 333.392 1.824 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000818986185 593732572 /nfs/dbraw/zinc/73/25/72/593732572.db2.gz HPZSOZZXOOIXLT-AAEUAGOBSA-N 1 0 333.310 1.854 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000819063039 593736780 /nfs/dbraw/zinc/73/67/80/593736780.db2.gz VXURYOJMLGSXPQ-QZTJIDSGSA-N 1 0 349.431 1.861 20 5 EDBDRO CNC(=O)c1cccc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819096199 593738655 /nfs/dbraw/zinc/73/86/55/593738655.db2.gz ZCZYKYZDIKLHCQ-QGZVFWFLSA-N 1 0 343.383 1.820 20 5 EDBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000820753566 593881956 /nfs/dbraw/zinc/88/19/56/593881956.db2.gz ZHSIVCHFSHWZGA-JOYOIKCWSA-N 1 0 332.368 1.311 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000821080464 593961186 /nfs/dbraw/zinc/96/11/86/593961186.db2.gz GEXWGUYKDPZQSQ-CQSZACIVSA-N 1 0 335.404 1.788 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821164874 593980628 /nfs/dbraw/zinc/98/06/28/593980628.db2.gz LINUXFTXVGAIGS-LLVKDONJSA-N 1 0 331.380 1.553 20 5 EDBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000840455564 594006259 /nfs/dbraw/zinc/00/62/59/594006259.db2.gz DYNMSMNKVYSVKC-NSHDSACASA-N 1 0 341.795 1.825 20 5 EDBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NCC(C)(C)[NH+](C)C ZINC000822215857 594012192 /nfs/dbraw/zinc/01/21/92/594012192.db2.gz WELGKGIUHWDANP-UHFFFAOYSA-N 1 0 340.355 1.762 20 5 EDBDRO CC(C)(CCC(=O)N1CCC(C[NH+]2CCOCC2)CC1)[N+](=O)[O-] ZINC000822542681 594064782 /nfs/dbraw/zinc/06/47/82/594064782.db2.gz YOZOCENGMSPXKF-UHFFFAOYSA-N 1 0 327.425 1.393 20 5 EDBDRO [NH3+]CCCn1cc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)nn1 ZINC000822648110 594079080 /nfs/dbraw/zinc/07/90/80/594079080.db2.gz ZYXJMOQDXXFTIC-UHFFFAOYSA-N 1 0 329.320 1.176 20 5 EDBDRO Cc1cc(-c2noc(-c3cn(CCC[NH3+])nn3)n2)cc([N+](=O)[O-])c1 ZINC000823269964 594178726 /nfs/dbraw/zinc/17/87/26/594178726.db2.gz MBKKRQALIRUCFS-UHFFFAOYSA-N 1 0 329.320 1.561 20 5 EDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[NH+](C2CCCC2)CC1 ZINC000823620219 594221857 /nfs/dbraw/zinc/22/18/57/594221857.db2.gz IHYPLDWBTQHOSV-UHFFFAOYSA-N 1 0 344.379 1.235 20 5 EDBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000826595530 594534904 /nfs/dbraw/zinc/53/49/04/594534904.db2.gz AWPFVGUIRMKUGV-CQSZACIVSA-N 1 0 329.441 1.781 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000826833191 594585280 /nfs/dbraw/zinc/58/52/80/594585280.db2.gz ZXFHGKKWQXQCSH-GXTWGEPZSA-N 1 0 337.424 1.679 20 5 EDBDRO C[NH+](C)CC1(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000829275212 594591358 /nfs/dbraw/zinc/59/13/58/594591358.db2.gz MEKTVYIBERXMKM-OAHLLOKOSA-N 1 0 335.404 1.866 20 5 EDBDRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000829293749 594593537 /nfs/dbraw/zinc/59/35/37/594593537.db2.gz UKOTUOVOPASTCJ-UHFFFAOYSA-N 1 0 347.415 1.708 20 5 EDBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000832272877 594739405 /nfs/dbraw/zinc/73/94/05/594739405.db2.gz OIYOZZSCMUQYNQ-MFKMUULPSA-N 1 0 343.380 1.367 20 5 EDBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000841457925 594903809 /nfs/dbraw/zinc/90/38/09/594903809.db2.gz XCFLSQXUTGMQPR-ZKHYDWRDSA-N 1 0 347.415 1.912 20 5 EDBDRO COc1cc(Cc2noc([C@]3(C)CC[NH2+]C3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000843226297 595044221 /nfs/dbraw/zinc/04/42/21/595044221.db2.gz YZDILVSBXFPXHE-MRXNPFEDSA-N 1 0 348.359 1.837 20 5 EDBDRO O=C(CCN1CC[C@H]2[NH2+]CC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000843386435 595096763 /nfs/dbraw/zinc/09/67/63/595096763.db2.gz IWJQKWJYDOWODR-BXUZGUMPSA-N 1 0 336.367 1.746 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000843454241 595116537 /nfs/dbraw/zinc/11/65/37/595116537.db2.gz OVVHRIVPHNRSIU-OAHLLOKOSA-N 1 0 336.348 1.931 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2noc(-c3cn(C4CC[NH2+]CC4)nn3)n2)c1 ZINC000842568117 595128929 /nfs/dbraw/zinc/12/89/29/595128929.db2.gz HDMDGZUEOTYYRM-UHFFFAOYSA-N 1 0 341.331 1.828 20 5 EDBDRO C[NH2+]C[C@@H](C)c1noc(-c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)n1 ZINC000842577342 595131342 /nfs/dbraw/zinc/13/13/42/595131342.db2.gz RHGJVEBZNYOBDH-SECBINFHSA-N 1 0 343.347 1.857 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000842720623 595180160 /nfs/dbraw/zinc/18/01/60/595180160.db2.gz YEVFKHPRQSNPQY-ONGXEEELSA-N 1 0 347.824 1.914 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000842790529 595200017 /nfs/dbraw/zinc/20/00/17/595200017.db2.gz JIAOCIBIFLDUPA-UWVGGRQHSA-N 1 0 347.824 1.914 20 5 EDBDRO C[C@]1(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000842827831 595210950 /nfs/dbraw/zinc/21/09/50/595210950.db2.gz RINLXWBIQXUQIS-ZDUSSCGKSA-N 1 0 347.824 1.916 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)c1ccccn1 ZINC000843095595 595286151 /nfs/dbraw/zinc/28/61/51/595286151.db2.gz OHASOXQURDDBIJ-SWLSCSKDSA-N 1 0 333.344 1.053 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c1 ZINC000843103723 595287797 /nfs/dbraw/zinc/28/77/97/595287797.db2.gz BRWQBMFFRUIEKZ-KBAYOESNSA-N 1 0 346.383 1.702 20 5 EDBDRO O=C1N=NCN1C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000846882015 595331849 /nfs/dbraw/zinc/33/18/49/595331849.db2.gz IUYOWUKAWOVSFX-CQSZACIVSA-N 1 0 333.348 1.262 20 5 EDBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848487454 595393563 /nfs/dbraw/zinc/39/35/63/595393563.db2.gz SFXBMGHKBXVQCV-KRWDZBQOSA-N 1 0 343.387 1.874 20 5 EDBDRO CN(C[C@@H]1CCC[N@@H+]1C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848490272 595394779 /nfs/dbraw/zinc/39/47/79/595394779.db2.gz YITQRSBDYWBDJW-DLBZAZTESA-N 1 0 346.431 1.894 20 5 EDBDRO O=C1O[C@@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CN1C1CC1 ZINC000848578510 595407405 /nfs/dbraw/zinc/40/74/05/595407405.db2.gz QMKKEWBVHOYZGD-LBPRGKRZSA-N 1 0 349.343 1.439 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848591100 595411728 /nfs/dbraw/zinc/41/17/28/595411728.db2.gz SLBUODIXDQGGRZ-GWCFXTLKSA-N 1 0 341.314 1.729 20 5 EDBDRO COc1cc(Cc2noc([C@]34C[NH2+]C[C@H]3COC4)n2)ccc1[N+](=O)[O-] ZINC000844912749 595412778 /nfs/dbraw/zinc/41/27/78/595412778.db2.gz JVLFCFSIHIQVIO-ZBEGNZNMSA-N 1 0 346.343 1.065 20 5 EDBDRO COCC[NH+]1CCC(OC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000847884050 595496799 /nfs/dbraw/zinc/49/67/99/595496799.db2.gz RXFNTGZBFZTLQY-UHFFFAOYSA-N 1 0 340.380 1.180 20 5 EDBDRO [NH3+]C1CCC(NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000857764042 595599981 /nfs/dbraw/zinc/59/99/81/595599981.db2.gz FMOYVFAROVVRBQ-UHFFFAOYSA-N 1 0 329.303 1.953 20 5 EDBDRO O=C(N(C1CC1)[C@H]1CC[NH2+]C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857767102 595600613 /nfs/dbraw/zinc/60/06/13/595600613.db2.gz ZNMBKHVBFVOREI-LBPRGKRZSA-N 1 0 341.314 1.919 20 5 EDBDRO O=C(NCCC1=CC[NH2+]CC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857767738 595601791 /nfs/dbraw/zinc/60/17/91/595601791.db2.gz GYRXSHWLCALYKG-UHFFFAOYSA-N 1 0 341.314 1.992 20 5 EDBDRO O=C1N(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]2CCCCN12 ZINC000853118558 595671301 /nfs/dbraw/zinc/67/13/01/595671301.db2.gz MWNRTKBAHCEXTP-HZPDHXFCSA-N 1 0 348.403 1.508 20 5 EDBDRO CC(C)(CCC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[N+](=O)[O-] ZINC000855404942 595695798 /nfs/dbraw/zinc/69/57/98/595695798.db2.gz YOVOGKNUXFHICD-INIZCTEOSA-N 1 0 349.431 1.705 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)OC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000851466176 595817370 /nfs/dbraw/zinc/81/73/70/595817370.db2.gz PJCKXGWZDPJFNI-CQSZACIVSA-N 1 0 330.344 1.609 20 5 EDBDRO O=C1CCCN1C[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000853594144 595821446 /nfs/dbraw/zinc/82/14/46/595821446.db2.gz OZXRJIICUMWTQL-CYBMUJFWSA-N 1 0 343.387 1.846 20 5 EDBDRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000861346372 595953660 /nfs/dbraw/zinc/95/36/60/595953660.db2.gz HVLZCYVHZKQNHI-UKRRQHHQSA-N 1 0 326.324 2.000 20 5 EDBDRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000854334175 596039764 /nfs/dbraw/zinc/03/97/64/596039764.db2.gz COVHKOHLLFQOSN-RRFJBIMHSA-N 1 0 341.452 1.372 20 5 EDBDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852351034 596134021 /nfs/dbraw/zinc/13/40/21/596134021.db2.gz HFIOMHCQVRUBOM-DXEWXGHRSA-N 1 0 338.404 1.784 20 5 EDBDRO O=c1ccc([C@H]2CCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000859890430 596216404 /nfs/dbraw/zinc/21/64/04/596216404.db2.gz UTSAOHNVNXFLQO-HUUCEWRRSA-N 1 0 330.344 1.961 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000866790232 596347927 /nfs/dbraw/zinc/34/79/27/596347927.db2.gz QSQMCQOQDWIORA-IUCAKERBSA-N 1 0 331.781 1.291 20 5 EDBDRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000870854540 596378542 /nfs/dbraw/zinc/37/85/42/596378542.db2.gz JUFLXFVBLFITRW-OKILXGFUSA-N 1 0 332.404 1.761 20 5 EDBDRO C[C@](N)(C(=O)N1CC[NH+](C2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000870862714 596381135 /nfs/dbraw/zinc/38/11/35/596381135.db2.gz VCSUXHCMVJTWIZ-GOSISDBHSA-N 1 0 346.431 1.856 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865179955 596503780 /nfs/dbraw/zinc/50/37/80/596503780.db2.gz IQJPRAJSCVCHDA-UHFFFAOYSA-N 1 0 327.356 1.313 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000865584614 596618214 /nfs/dbraw/zinc/61/82/14/596618214.db2.gz YEUGGVZPGHASRT-LBPRGKRZSA-N 1 0 325.340 1.113 20 5 EDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000867974831 596640937 /nfs/dbraw/zinc/64/09/37/596640937.db2.gz WOOPLQGJMPNDJA-QBIMZIAESA-N 1 0 346.431 1.711 20 5 EDBDRO COc1cc(F)c([N+](=O)[O-])c(N2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000865925163 596723596 /nfs/dbraw/zinc/72/35/96/596723596.db2.gz ZMGOWDBMXDODHP-HNNXBMFYSA-N 1 0 327.356 1.635 20 5 EDBDRO CS[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000872224648 596843036 /nfs/dbraw/zinc/84/30/36/596843036.db2.gz HWBUUQAZCYBABD-UMSPYCQHSA-N 1 0 330.431 1.852 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000874170930 596950914 /nfs/dbraw/zinc/95/09/14/596950914.db2.gz ZLGNDBOGHQWAPT-DOMZBBRYSA-N 1 0 346.387 1.394 20 5 EDBDRO Cc1c(C[NH2+][C@H]2CCN(CCN3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000873052419 597172512 /nfs/dbraw/zinc/17/25/12/597172512.db2.gz PGPCGDIXERESNM-KRWDZBQOSA-N 1 0 348.447 1.399 20 5 EDBDRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000876470461 597211693 /nfs/dbraw/zinc/21/16/93/597211693.db2.gz UPGKWVCBTYCDGR-INIZCTEOSA-N 1 0 337.376 1.014 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000873399538 597272537 /nfs/dbraw/zinc/27/25/37/597272537.db2.gz CQIRBVATWZYTQR-UHFFFAOYSA-N 1 0 336.392 1.907 20 5 EDBDRO C[C@@]12C[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)C[C@@]1(C)C(=O)NC2=O ZINC000877668469 597546372 /nfs/dbraw/zinc/54/63/72/597546372.db2.gz JESAHJFNKHSHJN-GJZGRUSLSA-N 1 0 337.763 1.733 20 5 EDBDRO Nc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c1 ZINC000882987926 597608151 /nfs/dbraw/zinc/60/81/51/597608151.db2.gz UEKZBICEDXFMIC-OAHLLOKOSA-N 1 0 349.435 1.386 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879576459 597639207 /nfs/dbraw/zinc/63/92/07/597639207.db2.gz SKPAPRLSBKFFDR-KGLIPLIRSA-N 1 0 332.404 1.868 20 5 EDBDRO CC1([NH+]2CCC2)CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000883152952 597669727 /nfs/dbraw/zinc/66/97/27/597669727.db2.gz MYYGQMVNFACDPP-UHFFFAOYSA-N 1 0 346.387 1.620 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCCCCNC(=O)CC1 ZINC000879255049 597865984 /nfs/dbraw/zinc/86/59/84/597865984.db2.gz COTKCHHKAFGCKE-UHFFFAOYSA-N 1 0 336.392 1.139 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(N3CCC[C@@H]([NH2+]C4CCOCC4)C3)nn21 ZINC000882725911 598034205 /nfs/dbraw/zinc/03/42/05/598034205.db2.gz DZVAHIHPQYDDJZ-CYBMUJFWSA-N 1 0 346.391 1.375 20 5 EDBDRO O=[N+]([O-])c1cc(Cn2cc(CN3CC[NH2+]CC3)nn2)ccc1Cl ZINC000881227285 598101380 /nfs/dbraw/zinc/10/13/80/598101380.db2.gz QNNYXVLOAIDLSS-UHFFFAOYSA-N 1 0 336.783 1.293 20 5 EDBDRO COCC(=O)N1CCC(C)([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000939892256 700029340 /nfs/dbraw/zinc/02/93/40/700029340.db2.gz NDUQOMRZQZXYSA-UHFFFAOYSA-N 1 0 327.406 1.773 20 5 EDBDRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000918477015 697172111 /nfs/dbraw/zinc/17/21/11/697172111.db2.gz CDBVYHLVKFVPTH-SNVBAGLBSA-N 1 0 340.767 1.397 20 5 EDBDRO Cc1cc(C(=O)NCC2CN(Cc3cccc([N+](=O)[O-])c3)C2)[nH]n1 ZINC001031562436 697252951 /nfs/dbraw/zinc/25/29/51/697252951.db2.gz RIBPNBNIQYMJOF-UHFFFAOYSA-N 1 0 329.360 1.488 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000996428404 702782906 /nfs/dbraw/zinc/78/29/06/702782906.db2.gz BNVRRQDAVGHYDO-HUUCEWRRSA-N 1 0 325.409 1.049 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc3c(c2)COC3)CC1 ZINC000996429259 702783591 /nfs/dbraw/zinc/78/35/91/702783591.db2.gz NYGKNWHYOFMHLY-IAGOWNOFSA-N 1 0 345.399 1.463 20 5 EDBDRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000921543717 703415701 /nfs/dbraw/zinc/41/57/01/703415701.db2.gz WTXZHIFIEUXYCO-ZDUSSCGKSA-N 1 0 338.412 1.163 20 5 EDBDRO O=C(c1cnon1)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000998159632 705441009 /nfs/dbraw/zinc/44/10/09/705441009.db2.gz DYQYVPNJOYTKNK-UHFFFAOYSA-N 1 0 345.359 1.620 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1ccccc1[N+](=O)[O-] ZINC000362158990 282225027 /nfs/dbraw/zinc/22/50/27/282225027.db2.gz ZEEKYHSFKWYCEE-KCXAZCMYSA-N 1 0 333.388 1.919 20 5 EDBDRO Cc1nn(C)c(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)c1[N+](=O)[O-] ZINC000347339199 282253645 /nfs/dbraw/zinc/25/36/45/282253645.db2.gz NVAKENBWRFMDDO-ZUZCIYMTSA-N 1 0 348.363 1.613 20 5 EDBDRO C[NH+](C)Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(F)c1 ZINC000412561379 304018845 /nfs/dbraw/zinc/01/88/45/304018845.db2.gz SRZPGMAWVDRSBF-UHFFFAOYSA-N 1 0 348.334 1.596 20 5 EDBDRO C[NH+](C)C1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000127555465 222855708 /nfs/dbraw/zinc/85/57/08/222855708.db2.gz IZISXQMEXHDDRA-UHFFFAOYSA-N 1 0 347.824 1.963 20 5 EDBDRO O=C(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCOCC1 ZINC000183361600 235028584 /nfs/dbraw/zinc/02/85/84/235028584.db2.gz DECZJVRRSFQREE-OAHLLOKOSA-N 1 0 333.388 1.364 20 5 EDBDRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000183911684 235258967 /nfs/dbraw/zinc/25/89/67/235258967.db2.gz XOVHIYJZOFPMRM-KBPBESRZSA-N 1 0 335.360 1.595 20 5 EDBDRO CC1(C)CC[N@H+](CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000563385240 306331152 /nfs/dbraw/zinc/33/11/52/306331152.db2.gz SUZWTPYHMQRMMM-CYBMUJFWSA-N 1 0 347.419 1.735 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000065867848 138174771 /nfs/dbraw/zinc/17/47/71/138174771.db2.gz GLPSFFSPKHAGBR-CYBMUJFWSA-N 1 0 337.424 1.728 20 5 EDBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000104069610 138299514 /nfs/dbraw/zinc/29/95/14/138299514.db2.gz QMEHXEOJSMICRO-INIZCTEOSA-N 1 0 332.404 1.509 20 5 EDBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000109846422 138306712 /nfs/dbraw/zinc/30/67/12/138306712.db2.gz ANHNQJSSXWOXFN-HNNXBMFYSA-N 1 0 336.392 1.953 20 5 EDBDRO C[C@H]1CC[C@@](CO)([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000188006972 236379957 /nfs/dbraw/zinc/37/99/57/236379957.db2.gz KCNHMFKPMUKKGZ-GRDNDAEWSA-N 1 0 338.404 1.817 20 5 EDBDRO NC(=O)c1cccc(N2CC[NH+](CC3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000342418374 283385227 /nfs/dbraw/zinc/38/52/27/283385227.db2.gz SNJAKRKVNJHDHK-UHFFFAOYSA-N 1 0 348.403 1.242 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC2(CC[NH2+]2)CC1 ZINC000564570663 306361110 /nfs/dbraw/zinc/36/11/10/306361110.db2.gz ZMDDKRNVOYNJFB-UHFFFAOYSA-N 1 0 333.344 1.334 20 5 EDBDRO O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000564926895 306370110 /nfs/dbraw/zinc/37/01/10/306370110.db2.gz RCJFGESGTGUVOM-AWEZNQCLSA-N 1 0 338.751 1.422 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000075346573 203312714 /nfs/dbraw/zinc/31/27/14/203312714.db2.gz YFTCGASLENUPFQ-HNNXBMFYSA-N 1 0 348.403 1.267 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000104747453 204117261 /nfs/dbraw/zinc/11/72/61/204117261.db2.gz CULUBHCEHBIFNU-GFCCVEGCSA-N 1 0 327.406 1.475 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@H]2CC[N@H+](C)C2)cc1C ZINC000104747748 204117401 /nfs/dbraw/zinc/11/74/01/204117401.db2.gz XHMGZCGHHRAKOB-ZDUSSCGKSA-N 1 0 341.433 1.784 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000194903483 139002222 /nfs/dbraw/zinc/00/22/22/139002222.db2.gz FNURXFHCUUNSHC-AWEZNQCLSA-N 1 0 335.404 1.870 20 5 EDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1Br ZINC000236567479 139026445 /nfs/dbraw/zinc/02/64/45/139026445.db2.gz DJDZHKNVFDMVPV-MRVPVSSYSA-N 1 0 328.166 1.839 20 5 EDBDRO COc1ccc(CSCC(=O)N2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000237214946 139044567 /nfs/dbraw/zinc/04/45/67/139044567.db2.gz BKMUELQIHUZWHN-NSHDSACASA-N 1 0 339.417 1.657 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000237328146 139048207 /nfs/dbraw/zinc/04/82/07/139048207.db2.gz WULVLJZPFHFFOP-NEPJUHHUSA-N 1 0 327.406 1.651 20 5 EDBDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000111220123 220113709 /nfs/dbraw/zinc/11/37/09/220113709.db2.gz NYCONTHCZRUQOX-DGCLKSJQSA-N 1 0 346.387 1.070 20 5 EDBDRO C[C@H]1CN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000237528759 139053390 /nfs/dbraw/zinc/05/33/90/139053390.db2.gz ZICULZAZFUMZBJ-NSHDSACASA-N 1 0 329.360 1.429 20 5 EDBDRO Cn1cnnc1Sc1ccc(C(=O)N2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000132268197 205319108 /nfs/dbraw/zinc/31/91/08/205319108.db2.gz IVIRPJBYGAVZMB-JTQLQIEISA-N 1 0 348.388 1.048 20 5 EDBDRO C[C@]1(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCC[NH2+]1 ZINC000237536961 139053540 /nfs/dbraw/zinc/05/35/40/139053540.db2.gz HUVGVNWYUJTMKU-BLLLJJGKSA-N 1 0 333.392 1.535 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000159001290 205391684 /nfs/dbraw/zinc/39/16/84/205391684.db2.gz MRPRHBPVBLBXKD-ZDUSSCGKSA-N 1 0 343.387 1.852 20 5 EDBDRO Cn1cc(C(=O)N[C@@H]2CCC[NH2+]C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237887644 139062892 /nfs/dbraw/zinc/06/28/92/139062892.db2.gz SIIXJBYSIQZMDO-GFCCVEGCSA-N 1 0 329.360 1.477 20 5 EDBDRO [NH3+]CCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000238027339 139066938 /nfs/dbraw/zinc/06/69/38/139066938.db2.gz GHKXIWKREHCXFP-UHFFFAOYSA-N 1 0 330.182 1.755 20 5 EDBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195219320 296206490 /nfs/dbraw/zinc/20/64/90/296206490.db2.gz NGCRHMXCMNKYNB-DTORHVGOSA-N 1 0 329.278 1.905 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000155631642 206022550 /nfs/dbraw/zinc/02/25/50/206022550.db2.gz USCHODKGXMRAON-HNNXBMFYSA-N 1 0 334.332 1.637 20 5 EDBDRO CC(C)[N@H+]1C[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000161140182 206330827 /nfs/dbraw/zinc/33/08/27/206330827.db2.gz LXOIQYYWTZZNPT-HZMBPMFUSA-N 1 0 331.376 1.930 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)n1 ZINC000162052714 206382690 /nfs/dbraw/zinc/38/26/90/206382690.db2.gz KVPYCVAZMBHLJY-LBPRGKRZSA-N 1 0 331.380 1.597 20 5 EDBDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000248157857 139158895 /nfs/dbraw/zinc/15/88/95/139158895.db2.gz RPZGDQNDQFZSHN-ZBFHGGJFSA-N 1 0 331.376 1.693 20 5 EDBDRO COC(=O)[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000249072885 139184665 /nfs/dbraw/zinc/18/46/65/139184665.db2.gz LGJYJVJAMARZPY-GXTWGEPZSA-N 1 0 349.387 1.973 20 5 EDBDRO O=C(NC1CC1)[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249740550 139197796 /nfs/dbraw/zinc/19/77/96/139197796.db2.gz IMOQSPYTRCWAAB-ZBFHGGJFSA-N 1 0 349.387 1.078 20 5 EDBDRO CC(C)[NH+]1CCC(NC(=O)CN2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000411401612 250527108 /nfs/dbraw/zinc/52/71/08/250527108.db2.gz NIBOKNKUVKHUEQ-UHFFFAOYSA-N 1 0 346.431 1.946 20 5 EDBDRO COc1cc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000261602571 139209915 /nfs/dbraw/zinc/20/99/15/139209915.db2.gz BRRLLAALNLADSC-INIZCTEOSA-N 1 0 337.376 1.732 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]CC2(C)C)c([N+](=O)[O-])c1 ZINC000261735274 139221808 /nfs/dbraw/zinc/22/18/08/139221808.db2.gz ORGTUUADWBZECQ-CYBMUJFWSA-N 1 0 343.405 1.270 20 5 EDBDRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000415460587 304223593 /nfs/dbraw/zinc/22/35/93/304223593.db2.gz YUAYQEHBEBKYMT-NSHDSACASA-N 1 0 326.740 1.040 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000261938667 139238592 /nfs/dbraw/zinc/23/85/92/139238592.db2.gz UJIMXGKBFVAHDG-CQSZACIVSA-N 1 0 341.433 1.960 20 5 EDBDRO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000262011734 139243752 /nfs/dbraw/zinc/24/37/52/139243752.db2.gz ODWZFFJDIQMHDE-CVEARBPZSA-N 1 0 349.387 1.471 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000415504088 304225209 /nfs/dbraw/zinc/22/52/09/304225209.db2.gz OUUNQHXEJGSXNJ-NSHDSACASA-N 1 0 330.291 1.722 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000112511370 207084674 /nfs/dbraw/zinc/08/46/74/207084674.db2.gz STTUWXRNBUSXMT-WDEREUQCSA-N 1 0 343.405 1.351 20 5 EDBDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000262275011 139265728 /nfs/dbraw/zinc/26/57/28/139265728.db2.gz TVCUFELUFMWSIB-DAYGRLMNSA-N 1 0 347.415 1.786 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000417174775 251144390 /nfs/dbraw/zinc/14/43/90/251144390.db2.gz IIOWDOUFGSDYBM-WCQYABFASA-N 1 0 336.392 1.920 20 5 EDBDRO CN1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2c[nH+]ccc21 ZINC000175843031 207165822 /nfs/dbraw/zinc/16/58/22/207165822.db2.gz VADVSFWNAHXJEX-UHFFFAOYSA-N 1 0 348.384 1.776 20 5 EDBDRO COC[C@@]1(CNC(=O)NCCc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000417770386 251262766 /nfs/dbraw/zinc/26/27/66/251262766.db2.gz TYRAMZLGWDLOCU-INIZCTEOSA-N 1 0 336.392 1.205 20 5 EDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH2+]CCO1 ZINC000417731711 251247415 /nfs/dbraw/zinc/24/74/15/251247415.db2.gz SEGMZOYHKRZBFQ-OAHLLOKOSA-N 1 0 336.392 1.205 20 5 EDBDRO C[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000418782766 251434102 /nfs/dbraw/zinc/43/41/02/251434102.db2.gz NNNZQCSCDGYACJ-NSHDSACASA-N 1 0 336.392 1.215 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000419154832 251488267 /nfs/dbraw/zinc/48/82/67/251488267.db2.gz AHDALKOPFLMKAE-NFAWXSAZSA-N 1 0 348.403 1.548 20 5 EDBDRO CO[C@@H](C[NH3+])CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000262910430 139312174 /nfs/dbraw/zinc/31/21/74/139312174.db2.gz QRACQZUKGHRXJS-OAHLLOKOSA-N 1 0 337.376 1.328 20 5 EDBDRO C[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000423947598 252106657 /nfs/dbraw/zinc/10/66/57/252106657.db2.gz JFZOUZNMJWNRAR-KOLCDFICSA-N 1 0 327.768 1.823 20 5 EDBDRO C[C@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000424028730 252119002 /nfs/dbraw/zinc/11/90/02/252119002.db2.gz YYNNKCQKXIAQTC-GXTWGEPZSA-N 1 0 343.387 1.837 20 5 EDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CC[C@H]2O)c1 ZINC000424202391 252159271 /nfs/dbraw/zinc/15/92/71/252159271.db2.gz POZARNXXMSAWNE-GHMZBOCLSA-N 1 0 348.140 1.812 20 5 EDBDRO COC(=O)c1cc(NC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000415604707 304237327 /nfs/dbraw/zinc/23/73/27/304237327.db2.gz VWMIUXBGZFGSTR-KWQFWETISA-N 1 0 336.348 1.501 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc([N+](=O)[O-])c1 ZINC000424213570 252164076 /nfs/dbraw/zinc/16/40/76/252164076.db2.gz ACZZELADVIBYJY-ZIAGYGMSSA-N 1 0 335.360 1.771 20 5 EDBDRO Cn1cc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]2[NH3+])cn1 ZINC000424223771 252169321 /nfs/dbraw/zinc/16/93/21/252169321.db2.gz ILXBTRVFYWOTHO-GXTWGEPZSA-N 1 0 333.323 1.034 20 5 EDBDRO Cc1cc(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000424421988 252222103 /nfs/dbraw/zinc/22/21/03/252222103.db2.gz ZZGPOIMWDURFSU-UONOGXRCSA-N 1 0 344.375 1.595 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000173336430 533066338 /nfs/dbraw/zinc/06/63/38/533066338.db2.gz RFWSPKYGAONPDE-CMPLNLGQSA-N 1 0 343.405 1.399 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000263815295 139362389 /nfs/dbraw/zinc/36/23/89/139362389.db2.gz YDABTHZJVAAXPY-UHFFFAOYSA-N 1 0 327.406 1.381 20 5 EDBDRO COC(=O)[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000493329484 255204565 /nfs/dbraw/zinc/20/45/65/255204565.db2.gz YCPJEQMTEQYURD-HSBSLETESA-N 1 0 347.371 1.171 20 5 EDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000493331096 255204697 /nfs/dbraw/zinc/20/46/97/255204697.db2.gz DHTYKURXHQEHGV-HKLWWIALSA-N 1 0 348.378 1.253 20 5 EDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000493767573 255221260 /nfs/dbraw/zinc/22/12/60/255221260.db2.gz BFVZHAVMEXDNIO-PTZVLDCSSA-N 1 0 333.388 1.571 20 5 EDBDRO C[C@@H]1C[NH2+]C[C@H](C)N1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000493898582 255225081 /nfs/dbraw/zinc/22/50/81/255225081.db2.gz XJDYJFXWBFLSSN-AOOOYVTPSA-N 1 0 326.784 1.869 20 5 EDBDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000495517598 255293013 /nfs/dbraw/zinc/29/30/13/255293013.db2.gz UEJNTURCOCIQGI-VXGBXAGGSA-N 1 0 325.369 1.248 20 5 EDBDRO Cc1nn(CCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)c1[N+](=O)[O-] ZINC000263989374 139374271 /nfs/dbraw/zinc/37/42/71/139374271.db2.gz NJNYRVPXYQTKBF-KGLIPLIRSA-N 1 0 335.408 1.541 20 5 EDBDRO CC(C)[NH+]1CCC(O)(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000268457591 139783402 /nfs/dbraw/zinc/78/34/02/139783402.db2.gz JYGCBFUDNMVSHN-VMPITWQZSA-N 1 0 347.415 1.960 20 5 EDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269531865 139949112 /nfs/dbraw/zinc/94/91/12/139949112.db2.gz SMJZBQXZNUUTNX-NSHDSACASA-N 1 0 341.412 1.528 20 5 EDBDRO Cc1cc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000270095443 140044730 /nfs/dbraw/zinc/04/47/30/140044730.db2.gz KPVIPOOVAMMFBT-UHFFFAOYSA-N 1 0 344.371 1.879 20 5 EDBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270382667 140089996 /nfs/dbraw/zinc/08/99/96/140089996.db2.gz QCLNRIQUADIPKJ-QWHCGFSZSA-N 1 0 326.378 1.985 20 5 EDBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH+](C)C ZINC000270434861 140099515 /nfs/dbraw/zinc/09/95/15/140099515.db2.gz GPPIABNHLVOWJK-STQMWFEESA-N 1 0 327.381 1.852 20 5 EDBDRO CS[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H]1[NH+](C)C ZINC000270540973 140119806 /nfs/dbraw/zinc/11/98/06/140119806.db2.gz XNIXQQPTBIDNEH-NWDGAFQWSA-N 1 0 342.396 1.434 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](C)CC1(C)C ZINC000270986907 140214295 /nfs/dbraw/zinc/21/42/95/140214295.db2.gz DDZIKCIJLOFTIT-UHFFFAOYSA-N 1 0 336.392 1.568 20 5 EDBDRO CS[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000271182569 140252413 /nfs/dbraw/zinc/25/24/13/140252413.db2.gz UTFXYPAJVWBZJP-OCCSQVGLSA-N 1 0 339.417 1.478 20 5 EDBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(F)cccc1F ZINC000271836056 140358644 /nfs/dbraw/zinc/35/86/44/140358644.db2.gz XRLQNELEIAERFU-MWLCHTKSSA-N 1 0 326.303 1.781 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000331901167 141095507 /nfs/dbraw/zinc/09/55/07/141095507.db2.gz YWVDWHDZBSJTSI-UHFFFAOYSA-N 1 0 335.408 1.713 20 5 EDBDRO CCNC(=O)[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000339335972 142019842 /nfs/dbraw/zinc/01/98/42/142019842.db2.gz LITLQFJWIVHSIC-MRXNPFEDSA-N 1 0 348.403 1.234 20 5 EDBDRO COCC[C@H](CO)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343549853 142857553 /nfs/dbraw/zinc/85/75/53/142857553.db2.gz MANITTUFCULGIC-WCQYABFASA-N 1 0 325.365 1.299 20 5 EDBDRO CO[C@H]1C[C@H](CO)[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000344723937 143003243 /nfs/dbraw/zinc/00/32/43/143003243.db2.gz RCEQNFDZTBURIW-CABCVRRESA-N 1 0 347.371 1.874 20 5 EDBDRO O=C(N1CCCC1)[C@@]1(O)CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000344899716 143024998 /nfs/dbraw/zinc/02/49/98/143024998.db2.gz VMHBVNKOWRMNDT-QGZVFWFLSA-N 1 0 333.388 1.544 20 5 EDBDRO Cn1c(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000345303983 143075456 /nfs/dbraw/zinc/07/54/56/143075456.db2.gz KRBUHNHPLBERFD-UHFFFAOYSA-N 1 0 333.348 1.521 20 5 EDBDRO CC[NH+]1CCC(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000345354364 143081551 /nfs/dbraw/zinc/08/15/51/143081551.db2.gz MBQCWUWPDOJWEJ-UHFFFAOYSA-N 1 0 341.433 1.974 20 5 EDBDRO Cc1c([C@H](C)[NH2+]CCNC(=O)c2cnccn2)cccc1[N+](=O)[O-] ZINC000346797461 143246626 /nfs/dbraw/zinc/24/66/26/143246626.db2.gz RPRUHOQYQPXOID-LBPRGKRZSA-N 1 0 329.360 1.774 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(-c2nc(CC3=[NH+][C@@H]4CCCC[C@@H]4N3)no2)n1 ZINC000346883183 143255857 /nfs/dbraw/zinc/25/58/57/143255857.db2.gz AHWYTJYBOHNEPH-AOOOYVTPSA-N 1 0 345.363 1.717 20 5 EDBDRO Cc1nn(CCC(=O)N(C)[C@H]2C[NH+]3CCC2CC3)c(C)c1[N+](=O)[O-] ZINC000347922002 143379544 /nfs/dbraw/zinc/37/95/44/143379544.db2.gz FGOYXMXLJKZWLK-AWEZNQCLSA-N 1 0 335.408 1.351 20 5 EDBDRO C[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cnn(C)c1 ZINC000348307177 143423456 /nfs/dbraw/zinc/42/34/56/143423456.db2.gz LOROBLXHEDJUCP-LLVKDONJSA-N 1 0 345.359 1.977 20 5 EDBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000369709747 155143577 /nfs/dbraw/zinc/14/35/77/155143577.db2.gz HGEKRXYHBBWMKR-HNNXBMFYSA-N 1 0 343.387 1.524 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369739559 155156278 /nfs/dbraw/zinc/15/62/78/155156278.db2.gz CFHOOCNULPDCGH-GJZGRUSLSA-N 1 0 348.403 1.300 20 5 EDBDRO O=C(NCCN1CC[NH2+]CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000195122381 148963873 /nfs/dbraw/zinc/96/38/73/148963873.db2.gz IADGWQQUIUGUFJ-UHFFFAOYSA-N 1 0 334.401 1.445 20 5 EDBDRO C[C@H](NC(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000341073112 149064458 /nfs/dbraw/zinc/06/44/58/149064458.db2.gz NTCOVCMEPGGQEA-UONOGXRCSA-N 1 0 348.403 1.772 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]CC2(OC)CCC2)cc1[N+](=O)[O-] ZINC000353210166 149325546 /nfs/dbraw/zinc/32/55/46/149325546.db2.gz OXQPZHLOBMBSJQ-UHFFFAOYSA-N 1 0 338.360 1.805 20 5 EDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCC[C@@H]2n2cc(CO)nn2)cc1 ZINC000355287095 150200189 /nfs/dbraw/zinc/20/01/89/150200189.db2.gz IFGNMWOQMZGUSH-IRXDYDNUSA-N 1 0 345.403 1.995 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(OC)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355364824 150236002 /nfs/dbraw/zinc/23/60/02/150236002.db2.gz GWUFCUHMJUMJOZ-GDBMZVCRSA-N 1 0 349.387 1.539 20 5 EDBDRO CCn1ccnc1CN1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000370003155 155276536 /nfs/dbraw/zinc/27/65/36/155276536.db2.gz XSTLBUAGVBIQKK-UHFFFAOYSA-N 1 0 347.423 1.216 20 5 EDBDRO COc1cc(OCC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000357384616 151014809 /nfs/dbraw/zinc/01/48/09/151014809.db2.gz FLPZGFYDWYYIJC-RYUDHWBXSA-N 1 0 337.376 1.581 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1-c1nc(CC2=[NH+][C@H]3CCCC[C@@H]3N2)no1 ZINC000357953536 151209160 /nfs/dbraw/zinc/20/91/60/151209160.db2.gz GGFRUKOAPIZADP-IUCAKERBSA-N 1 0 331.336 1.234 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC[N@@H+]1C ZINC000357974060 151217942 /nfs/dbraw/zinc/21/79/42/151217942.db2.gz LSCZVPQXMVIIDP-OCCSQVGLSA-N 1 0 348.403 1.982 20 5 EDBDRO COc1c[nH+]ccc1N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000358276132 151323219 /nfs/dbraw/zinc/32/32/19/151323219.db2.gz MWFFHSQSHAYSLR-UHFFFAOYSA-N 1 0 331.332 1.289 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000360654681 152140737 /nfs/dbraw/zinc/14/07/37/152140737.db2.gz VPKJNSRUGBKCRL-VXGBXAGGSA-N 1 0 327.406 1.664 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)NCC(F)F ZINC000360919257 152252077 /nfs/dbraw/zinc/25/20/77/152252077.db2.gz MFCGIHXWLIYUPB-VIFPVBQESA-N 1 0 344.318 1.283 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](O)C[NH+]1CCCCC1 ZINC000360967074 152264883 /nfs/dbraw/zinc/26/48/83/152264883.db2.gz UZGFKERKOTVWDI-ZDUSSCGKSA-N 1 0 336.392 1.213 20 5 EDBDRO Nc1c(C(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000370164698 155358337 /nfs/dbraw/zinc/35/83/37/155358337.db2.gz XYQBXFYHEBKOPS-OCCSQVGLSA-N 1 0 348.403 1.408 20 5 EDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000417184607 304381735 /nfs/dbraw/zinc/38/17/35/304381735.db2.gz RIYFDGCOPULNPT-AWEZNQCLSA-N 1 0 336.392 1.887 20 5 EDBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000363655421 153023770 /nfs/dbraw/zinc/02/37/70/153023770.db2.gz DNONQAYIXCJURY-MRXNPFEDSA-N 1 0 332.404 1.447 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000363930249 153099923 /nfs/dbraw/zinc/09/99/23/153099923.db2.gz QMQFBWXRXRXUGU-SMDDNHRTSA-N 1 0 325.390 1.310 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](O)C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000364442792 153238435 /nfs/dbraw/zinc/23/84/35/153238435.db2.gz NBZHVOUDRMQIEL-AWEZNQCLSA-N 1 0 335.360 1.389 20 5 EDBDRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000364562211 153271532 /nfs/dbraw/zinc/27/15/32/153271532.db2.gz PXSLHPSHJJTBJE-UOJUARBOSA-N 1 0 342.359 1.270 20 5 EDBDRO O=C1NC[C@]2(CCC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000364798200 153337440 /nfs/dbraw/zinc/33/74/40/153337440.db2.gz YNMNNFYWFVKGRT-INIZCTEOSA-N 1 0 335.360 1.938 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000237399624 292294083 /nfs/dbraw/zinc/29/40/83/292294083.db2.gz KMNCAIWRTWLFMZ-YPMHNXCESA-N 1 0 327.406 1.794 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000367582908 154185953 /nfs/dbraw/zinc/18/59/53/154185953.db2.gz QCVJIIWUCKSTBG-IUODEOHRSA-N 1 0 339.417 1.618 20 5 EDBDRO COC(=O)c1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cn1C ZINC000368037076 154378881 /nfs/dbraw/zinc/37/88/81/154378881.db2.gz LIAKEOSSLBBLCL-UHFFFAOYSA-N 1 0 347.375 1.754 20 5 EDBDRO CN(C(=O)[C@H]1CC12CC[NH+](CCn1ccc([N+](=O)[O-])n1)CC2)C1CC1 ZINC000369503396 155063286 /nfs/dbraw/zinc/06/32/86/155063286.db2.gz LDZHYCZEPVUVCJ-CQSZACIVSA-N 1 0 347.419 1.514 20 5 EDBDRO C[N@@H+]1C[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H](c2ccccc2)C1 ZINC000372327309 156335178 /nfs/dbraw/zinc/33/51/78/156335178.db2.gz VTCPHIGCRPFTCG-ZIAGYGMSSA-N 1 0 329.360 1.005 20 5 EDBDRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000372398672 156371027 /nfs/dbraw/zinc/37/10/27/156371027.db2.gz SJMNLMYPQNAKQY-UHFFFAOYSA-N 1 0 345.446 1.905 20 5 EDBDRO O=C(c1ccco1)N1CCC([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000373138705 156704688 /nfs/dbraw/zinc/70/46/88/156704688.db2.gz LHSKOIPVZNIRHJ-UHFFFAOYSA-N 1 0 333.348 1.279 20 5 EDBDRO COC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000373804684 157012538 /nfs/dbraw/zinc/01/25/38/157012538.db2.gz KOHMUMPNZAGOIM-RAIGVLPGSA-N 1 0 349.387 1.971 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000575399455 306669190 /nfs/dbraw/zinc/66/91/90/306669190.db2.gz APACKRFOLXPUCM-GHMZBOCLSA-N 1 0 335.360 1.565 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC([NH2+]C3CCCC3)CC2)c1 ZINC000377886806 158020979 /nfs/dbraw/zinc/02/09/79/158020979.db2.gz GREWSUKFQVSAOL-MRXNPFEDSA-N 1 0 337.424 1.149 20 5 EDBDRO O=C(N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C12CCC[NH+]1CCC2 ZINC000377918762 158028892 /nfs/dbraw/zinc/02/88/92/158028892.db2.gz PRAFLDKESNOHCG-CYBMUJFWSA-N 1 0 345.403 1.631 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccc([N+](=O)[O-])s1 ZINC000378228801 158116464 /nfs/dbraw/zinc/11/64/64/158116464.db2.gz YBJUEPCRDFBHCN-UTUOFQBUSA-N 1 0 339.417 1.980 20 5 EDBDRO CCCc1n[nH]c(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC000378237518 158118137 /nfs/dbraw/zinc/11/81/37/158118137.db2.gz ZTZBQSBKBSCWRA-GFCCVEGCSA-N 1 0 335.408 1.875 20 5 EDBDRO CCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000352513180 162222160 /nfs/dbraw/zinc/22/21/60/162222160.db2.gz VQXASWPJRNLRIK-CYBMUJFWSA-N 1 0 327.406 1.748 20 5 EDBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000352544413 162242558 /nfs/dbraw/zinc/24/25/58/162242558.db2.gz AILVCIKOFIWEOH-XJKSGUPXSA-N 1 0 335.404 1.756 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000262351803 286924972 /nfs/dbraw/zinc/92/49/72/286924972.db2.gz VGRHQHNLWLCFKU-MNOVXSKESA-N 1 0 327.406 1.562 20 5 EDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418084487 304456184 /nfs/dbraw/zinc/45/61/84/304456184.db2.gz QLMLVPCIWYXQOO-MWLCHTKSSA-N 1 0 332.364 1.411 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000126692589 287426494 /nfs/dbraw/zinc/42/64/94/287426494.db2.gz TXUVCXLTKVWNEP-LBPRGKRZSA-N 1 0 333.348 1.338 20 5 EDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000418461915 304498201 /nfs/dbraw/zinc/49/82/01/304498201.db2.gz KYBJXDPFUUPKOP-YPMHNXCESA-N 1 0 336.396 1.265 20 5 EDBDRO C[C@H](C[NH3+])CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418485622 304501832 /nfs/dbraw/zinc/50/18/32/304501832.db2.gz HFZKKSKTIGRICN-GFCCVEGCSA-N 1 0 336.392 1.742 20 5 EDBDRO C[C@@H]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420283258 287602535 /nfs/dbraw/zinc/60/25/35/287602535.db2.gz NPWLNATXLLKSIB-YPMHNXCESA-N 1 0 332.404 1.908 20 5 EDBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])cc1C(N)=O)Cc1ccc(F)cc1 ZINC000267183388 273020705 /nfs/dbraw/zinc/02/07/05/273020705.db2.gz KVUBOIDSYPGOEQ-UHFFFAOYSA-N 1 0 347.350 1.772 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC1CC[NH+](CC2CC2)CC1 ZINC000194923701 267872772 /nfs/dbraw/zinc/87/27/72/267872772.db2.gz YHFJSYTXKSHYOP-UHFFFAOYSA-N 1 0 332.404 1.997 20 5 EDBDRO C[NH+]1CCC(C)(CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000273056693 273026104 /nfs/dbraw/zinc/02/61/04/273026104.db2.gz XNCRQLICPLTBHA-UHFFFAOYSA-N 1 0 349.387 1.634 20 5 EDBDRO COCCC[N@H+](CCO)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000275405168 268337911 /nfs/dbraw/zinc/33/79/11/268337911.db2.gz FKJFTAOFFOSZJK-UHFFFAOYSA-N 1 0 328.365 1.313 20 5 EDBDRO O=C(CC[N@@H+]1CC[C@@]2(CNC(=O)C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000278821047 268742627 /nfs/dbraw/zinc/74/26/27/268742627.db2.gz HMNILWNYTKPGLT-MRXNPFEDSA-N 1 0 332.360 1.135 20 5 EDBDRO COc1ccc(CNC(=O)NCC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000275628305 273114776 /nfs/dbraw/zinc/11/47/76/273114776.db2.gz PSCBOLPVEGPOEN-UHFFFAOYSA-N 1 0 336.392 1.887 20 5 EDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000275756423 273125278 /nfs/dbraw/zinc/12/52/78/273125278.db2.gz DXYSQJOAXDHKAB-LLVKDONJSA-N 1 0 338.364 1.784 20 5 EDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000275768960 273126989 /nfs/dbraw/zinc/12/69/89/273126989.db2.gz GTQDWEKZCKRYIJ-SNVBAGLBSA-N 1 0 339.421 1.585 20 5 EDBDRO CCc1ccc([C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000032734916 272909468 /nfs/dbraw/zinc/90/94/68/272909468.db2.gz NIBPJXWOFRAABL-INIZCTEOSA-N 1 0 345.403 1.773 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000156212112 272928827 /nfs/dbraw/zinc/92/88/27/272928827.db2.gz OZUYDHBVATVSAC-RYUDHWBXSA-N 1 0 327.406 1.583 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000162601066 272931247 /nfs/dbraw/zinc/93/12/47/272931247.db2.gz REALNFQKSZEPBX-UHFFFAOYSA-N 1 0 336.392 1.824 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000277712853 273220155 /nfs/dbraw/zinc/22/01/55/273220155.db2.gz IPEPJOXHCSUQQS-GXFFZTMASA-N 1 0 349.309 1.392 20 5 EDBDRO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000279224824 273285830 /nfs/dbraw/zinc/28/58/30/273285830.db2.gz PLVSSHOMFYOFPD-UHFFFAOYSA-N 1 0 326.372 1.872 20 5 EDBDRO CN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000281795922 273531977 /nfs/dbraw/zinc/53/19/77/273531977.db2.gz IFRXBZPDZSVZRU-UHFFFAOYSA-N 1 0 341.433 1.920 20 5 EDBDRO COc1cc(N2CCC[N@@H+]([C@@H](C)CO)CC2)c([N+](=O)[O-])cc1F ZINC000364272788 274096290 /nfs/dbraw/zinc/09/62/90/274096290.db2.gz RUBHBSXWDQRDSK-NSHDSACASA-N 1 0 327.356 1.635 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(N2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000268361363 274118461 /nfs/dbraw/zinc/11/84/61/274118461.db2.gz CQUKCHWFKOEWHV-UHFFFAOYSA-N 1 0 336.392 1.204 20 5 EDBDRO CC1(C)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000284230008 274125497 /nfs/dbraw/zinc/12/54/97/274125497.db2.gz HQWUEISKNOOWEG-ZDUSSCGKSA-N 1 0 327.406 1.651 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000284475253 274215773 /nfs/dbraw/zinc/21/57/73/274215773.db2.gz AAEOEMXUEGMETM-WCQYABFASA-N 1 0 333.396 1.557 20 5 EDBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000346469360 274247221 /nfs/dbraw/zinc/24/72/21/274247221.db2.gz BBOMJIRLTCGXHG-RISCZKNCSA-N 1 0 343.405 1.030 20 5 EDBDRO C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000186738838 274327522 /nfs/dbraw/zinc/32/75/22/274327522.db2.gz MWLJCTJGPOCMOL-LLVKDONJSA-N 1 0 337.380 1.299 20 5 EDBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285116859 274456542 /nfs/dbraw/zinc/45/65/42/274456542.db2.gz VGAAAMWZVHSZGS-UHFFFAOYSA-N 1 0 329.360 1.844 20 5 EDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000285070311 276382123 /nfs/dbraw/zinc/38/21/23/276382123.db2.gz CNVAKXKJGORSIU-ZIAGYGMSSA-N 1 0 349.387 1.539 20 5 EDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000286024654 287917909 /nfs/dbraw/zinc/91/79/09/287917909.db2.gz JXYYILBXQKQWIP-BFQNTYOBSA-N 1 0 343.387 1.897 20 5 EDBDRO CNS(=O)(=O)c1ccc(N2CCC([C@@H](C)[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000261784296 277291037 /nfs/dbraw/zinc/29/10/37/277291037.db2.gz SGNIFINLGHOFQO-SNVBAGLBSA-N 1 0 342.421 1.067 20 5 EDBDRO CO[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000262088687 277653525 /nfs/dbraw/zinc/65/35/25/277653525.db2.gz HSYWXZNMGUHEOL-QWHCGFSZSA-N 1 0 327.768 1.827 20 5 EDBDRO COc1ccc(OCC[NH2+][C@@H]2CCCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000131296700 277921966 /nfs/dbraw/zinc/92/19/66/277921966.db2.gz JJONEEVOBZLQSH-CHWSQXEVSA-N 1 0 337.376 1.616 20 5 EDBDRO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c(OCC[NH+](C)C)c1 ZINC000286575239 288037742 /nfs/dbraw/zinc/03/77/42/288037742.db2.gz UVRAPSXDKUDMFI-UHFFFAOYSA-N 1 0 333.348 1.819 20 5 EDBDRO C[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000268877442 278369033 /nfs/dbraw/zinc/36/90/33/278369033.db2.gz DYMPYHUHMUKEHO-DGCLKSJQSA-N 1 0 327.406 1.669 20 5 EDBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000186036965 279263480 /nfs/dbraw/zinc/26/34/80/279263480.db2.gz LOESPZQRDDRRAT-CYBMUJFWSA-N 1 0 335.408 1.742 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)CN2CCOCC2)n1 ZINC000287136666 288163699 /nfs/dbraw/zinc/16/36/99/288163699.db2.gz DMKYJSNZQACFES-LLVKDONJSA-N 1 0 338.364 1.157 20 5 EDBDRO C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000287202384 288179426 /nfs/dbraw/zinc/17/94/26/288179426.db2.gz DPCJWEHMHKZZIV-NEPJUHHUSA-N 1 0 339.396 1.779 20 5 EDBDRO O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000444139219 280152365 /nfs/dbraw/zinc/15/23/65/280152365.db2.gz ILPGNQAXNHRJMS-DYVFJYSZSA-N 1 0 330.388 1.243 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373885898 280259386 /nfs/dbraw/zinc/25/93/86/280259386.db2.gz PACZNQXNMSXVMV-VXGBXAGGSA-N 1 0 325.390 1.276 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C2CC[NH2+]CC2)c1C ZINC000237122703 281015270 /nfs/dbraw/zinc/01/52/70/281015270.db2.gz FRFCLHKROJXRNA-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO Cc1nn(C)c(NC[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000377704918 447305262 /nfs/dbraw/zinc/30/52/62/447305262.db2.gz OCVRQMGBPKNTCA-IUODEOHRSA-N 1 0 347.423 1.865 20 5 EDBDRO C[NH+](C)CCCOc1cnccc1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000288146093 288415380 /nfs/dbraw/zinc/41/53/80/288415380.db2.gz GFAWCJOAQHDNCF-UHFFFAOYSA-N 1 0 347.379 1.305 20 5 EDBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289358617 288681187 /nfs/dbraw/zinc/68/11/87/288681187.db2.gz YWSZZJTYMLTLEE-CQSZACIVSA-N 1 0 344.371 1.461 20 5 EDBDRO C[N@@H+]1CC[C@@]2(CCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000292138038 289270953 /nfs/dbraw/zinc/27/09/53/289270953.db2.gz MAMWQANRUBBGDN-GOSISDBHSA-N 1 0 344.415 1.512 20 5 EDBDRO C[C@H](CCCC[NH3+])NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000292153528 289274907 /nfs/dbraw/zinc/27/49/07/289274907.db2.gz UNDMBKUBACJQAM-GFCCVEGCSA-N 1 0 336.392 1.348 20 5 EDBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292231297 289295078 /nfs/dbraw/zinc/29/50/78/289295078.db2.gz IXARIFDOAJMGHK-ZDUSSCGKSA-N 1 0 349.435 1.375 20 5 EDBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000264967806 297101547 /nfs/dbraw/zinc/10/15/47/297101547.db2.gz OTCWXNLLSUISON-NEPJUHHUSA-N 1 0 339.417 1.671 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)cccc1[N+](=O)[O-] ZINC000419760961 304681555 /nfs/dbraw/zinc/68/15/55/304681555.db2.gz OVVFFVWXUOSCLC-ZDUSSCGKSA-N 1 0 336.392 1.009 20 5 EDBDRO Cc1ccc(NCCCNC(=O)NC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000417718937 301646637 /nfs/dbraw/zinc/64/66/37/301646637.db2.gz OXXPCMLJSDIPSN-ZDUSSCGKSA-N 1 0 335.408 1.614 20 5 EDBDRO CC(C)C[C@H](C[NH3+])NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420462248 304760940 /nfs/dbraw/zinc/76/09/40/304760940.db2.gz SOVGFBMVGJNCNM-CYBMUJFWSA-N 1 0 329.422 1.430 20 5 EDBDRO COc1cc(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000420479297 304763626 /nfs/dbraw/zinc/76/36/26/304763626.db2.gz MJXJTKPQBFCQMR-WDEREUQCSA-N 1 0 343.405 1.209 20 5 EDBDRO C[C@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000293778040 303017582 /nfs/dbraw/zinc/01/75/82/303017582.db2.gz VUZNYTGRMZNVEI-LLVKDONJSA-N 1 0 334.376 1.642 20 5 EDBDRO COC[C@]1(C(=O)OC)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295142937 303179068 /nfs/dbraw/zinc/17/90/68/303179068.db2.gz LFXIZBSPHUPCJE-ZBFHGGJFSA-N 1 0 338.360 1.140 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000295824826 303272616 /nfs/dbraw/zinc/27/26/16/303272616.db2.gz VOWBKMYVTSMSMX-GHMZBOCLSA-N 1 0 325.365 1.539 20 5 EDBDRO CC[C@H](C)[NH+]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000296853097 303341657 /nfs/dbraw/zinc/34/16/57/303341657.db2.gz HSJZLWSRMDNPBE-ZDUSSCGKSA-N 1 0 348.403 1.267 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])C[C@H]12 ZINC000248646868 303474462 /nfs/dbraw/zinc/47/44/62/303474462.db2.gz SSQUNUMUULDRSU-INTQDDNPSA-N 1 0 345.808 1.606 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000423690379 304904526 /nfs/dbraw/zinc/90/45/26/304904526.db2.gz YUFGHELNSWLWOR-JSGCOSHPSA-N 1 0 348.403 1.282 20 5 EDBDRO C[C@H]1CN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000423943721 304920302 /nfs/dbraw/zinc/92/03/02/304920302.db2.gz GOIPFOGWMWJXIC-HZMBPMFUSA-N 1 0 329.360 1.415 20 5 EDBDRO Cc1nn(CCC(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000423974357 304921826 /nfs/dbraw/zinc/92/18/26/304921826.db2.gz NHMRGTVBQINQJA-LSDHHAIUSA-N 1 0 349.435 1.789 20 5 EDBDRO CCOc1cc(C(=O)N2CCC3(CC[NH2+]3)CC2)c([N+](=O)[O-])cc1OC ZINC000424055769 304926278 /nfs/dbraw/zinc/92/62/78/304926278.db2.gz RTYAHVWGKOMLCD-UHFFFAOYSA-N 1 0 349.387 1.970 20 5 EDBDRO C[C@H]1CCCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000429192012 305025515 /nfs/dbraw/zinc/02/55/15/305025515.db2.gz GJWMXWOVXAXUEI-SWLSCSKDSA-N 1 0 348.403 1.301 20 5 EDBDRO C[C@](C[NH3+])(NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000429232253 305025945 /nfs/dbraw/zinc/02/59/45/305025945.db2.gz SXLVZAJRNARBGB-MRXNPFEDSA-N 1 0 335.360 1.152 20 5 EDBDRO CC1(C)CCC[NH2+][C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000430373257 305051808 /nfs/dbraw/zinc/05/18/08/305051808.db2.gz DVDHEMXDJAKVHW-VIFPVBQESA-N 1 0 333.435 1.713 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430630480 305060273 /nfs/dbraw/zinc/06/02/73/305060273.db2.gz SERQKKRAHPSFII-LBPRGKRZSA-N 1 0 336.392 1.603 20 5 EDBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000430832687 305065414 /nfs/dbraw/zinc/06/54/14/305065414.db2.gz ILNUAALGWVQDCW-QWHCGFSZSA-N 1 0 338.412 1.203 20 5 EDBDRO Cc1cc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])n(C2CC[NH+](C)CC2)n1 ZINC000431523110 305078632 /nfs/dbraw/zinc/07/86/32/305078632.db2.gz ZCZBJLBTUNUQBO-UHFFFAOYSA-N 1 0 347.379 1.650 20 5 EDBDRO COC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000434788447 305130375 /nfs/dbraw/zinc/13/03/75/305130375.db2.gz WOZVOPBHKCBCFW-GJZGRUSLSA-N 1 0 337.376 1.707 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000440438218 305206747 /nfs/dbraw/zinc/20/67/47/305206747.db2.gz MHLBEUILZGBZBS-GFCCVEGCSA-N 1 0 325.390 1.418 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000440851853 305213351 /nfs/dbraw/zinc/21/33/51/305213351.db2.gz WLNHTUOCNUDKRJ-DTWKUNHWSA-N 1 0 347.368 1.100 20 5 EDBDRO COc1ccc(OCC[NH2+][C@H](CO)[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000447910594 305288760 /nfs/dbraw/zinc/28/87/60/305288760.db2.gz CZLUNDIYLNGVFY-TZMCWYRMSA-N 1 0 326.349 1.112 20 5 EDBDRO O=C1CC[C@H]([NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)CCN1 ZINC000449700563 305317492 /nfs/dbraw/zinc/31/74/92/305317492.db2.gz PVTRKDLGLJVYMN-HNNXBMFYSA-N 1 0 332.404 1.381 20 5 EDBDRO O=C(C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCOCC1 ZINC000451562541 305353863 /nfs/dbraw/zinc/35/38/63/305353863.db2.gz JKMNEMKNEDQDSD-HNNXBMFYSA-N 1 0 333.388 1.633 20 5 EDBDRO C[C@@H](C(=O)NCC[NH+]1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000456588965 305467835 /nfs/dbraw/zinc/46/78/35/305467835.db2.gz YGEPCYHBFBBTII-LLVKDONJSA-N 1 0 339.367 1.410 20 5 EDBDRO O=C1C[C@H]([NH2+]C[C@@H]2CCCCO2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000516978056 305745857 /nfs/dbraw/zinc/74/58/57/305745857.db2.gz ZFYSAQZURZHELR-KBPBESRZSA-N 1 0 333.344 1.385 20 5 EDBDRO CS[C@@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000539198954 306034863 /nfs/dbraw/zinc/03/48/63/306034863.db2.gz XULBFQGSRMSMFD-ZIAGYGMSSA-N 1 0 349.416 1.725 20 5 EDBDRO C[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+]1CC(C)C1 ZINC000553183925 306183498 /nfs/dbraw/zinc/18/34/98/306183498.db2.gz PRMZURPWPFQBKY-AWEZNQCLSA-N 1 0 332.404 1.584 20 5 EDBDRO COc1cc(C[NH2+]C[C@H]2CCOC[C@@H]2OC)c([N+](=O)[O-])cc1OC ZINC000449455181 447374151 /nfs/dbraw/zinc/37/41/51/447374151.db2.gz LCBVFLFPYJUZCX-BZNIZROVSA-N 1 0 340.376 1.753 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000378014305 447396183 /nfs/dbraw/zinc/39/61/83/447396183.db2.gz MLRHRDSIXPOEPB-STQMWFEESA-N 1 0 339.417 1.442 20 5 EDBDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000419762077 447400138 /nfs/dbraw/zinc/40/01/38/447400138.db2.gz RHXDWTLKJHAMEL-CYBMUJFWSA-N 1 0 336.392 1.153 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000419762744 447400337 /nfs/dbraw/zinc/40/03/37/447400337.db2.gz SRHXJOXGOZYVRK-XHDPSFHLSA-N 1 0 348.403 1.105 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000044572032 440858594 /nfs/dbraw/zinc/85/85/94/440858594.db2.gz HAECABWVMQVUNQ-OAHLLOKOSA-N 1 0 348.403 1.315 20 5 EDBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000070871196 441124791 /nfs/dbraw/zinc/12/47/91/441124791.db2.gz ZSVIVPXZSBGPOE-UHFFFAOYSA-N 1 0 337.376 1.684 20 5 EDBDRO CC(C)[NH+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000012141695 441127871 /nfs/dbraw/zinc/12/78/71/441127871.db2.gz OJWQRXTUIINSGY-UHFFFAOYSA-N 1 0 329.422 1.992 20 5 EDBDRO CNC(=O)c1ccc(NC[C@H](C)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000057837921 441137690 /nfs/dbraw/zinc/13/76/90/441137690.db2.gz SFGOGNNJMFDIJT-LBPRGKRZSA-N 1 0 335.408 1.002 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000058176279 441156429 /nfs/dbraw/zinc/15/64/29/441156429.db2.gz TZXUMRBEZKUPNE-UHFFFAOYSA-N 1 0 343.405 1.318 20 5 EDBDRO CC(C)(C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000081289540 441248826 /nfs/dbraw/zinc/24/88/26/441248826.db2.gz MXFYEYUBEPKACV-AWEZNQCLSA-N 1 0 349.435 1.907 20 5 EDBDRO CC[NH+]1CCC(N(C(=O)CCn2cc([N+](=O)[O-])cn2)C2CC2)CC1 ZINC000063599014 441338708 /nfs/dbraw/zinc/33/87/08/441338708.db2.gz XLXFFNDSDPPCPZ-UHFFFAOYSA-N 1 0 335.408 1.657 20 5 EDBDRO CN1CC[NH+](CCCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000063783740 441354076 /nfs/dbraw/zinc/35/40/76/441354076.db2.gz NWXCZTAAOAJISX-RMKNXTFCSA-N 1 0 346.431 1.752 20 5 EDBDRO COc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000064334125 441373768 /nfs/dbraw/zinc/37/37/68/441373768.db2.gz CHNPVBWUQNAXOS-STQMWFEESA-N 1 0 335.360 1.196 20 5 EDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000108339690 441447941 /nfs/dbraw/zinc/44/79/41/441447941.db2.gz STZTXNNHERTPHU-CYBMUJFWSA-N 1 0 343.387 1.852 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087319734 441486794 /nfs/dbraw/zinc/48/67/94/441486794.db2.gz RVSCDTMNNBIQPX-AWEZNQCLSA-N 1 0 334.420 1.280 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000065835498 441488960 /nfs/dbraw/zinc/48/89/60/441488960.db2.gz HNXPSFDWKYVPCD-LLVKDONJSA-N 1 0 337.405 1.580 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000066105733 441504653 /nfs/dbraw/zinc/50/46/53/441504653.db2.gz CHGVXNIQSKLQHP-CYBMUJFWSA-N 1 0 339.417 1.762 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000075717467 441552068 /nfs/dbraw/zinc/55/20/68/441552068.db2.gz NKYSNTAMKXNTTH-CJNGLKHVSA-N 1 0 334.351 1.781 20 5 EDBDRO CC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000066630710 441554536 /nfs/dbraw/zinc/55/45/36/441554536.db2.gz GIDONKFQNREMEF-UHFFFAOYSA-N 1 0 349.387 1.828 20 5 EDBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000032663412 441564149 /nfs/dbraw/zinc/56/41/49/441564149.db2.gz TXLSAJGIIQTEHF-ZDUSSCGKSA-N 1 0 348.403 1.315 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000067285016 441624901 /nfs/dbraw/zinc/62/49/01/441624901.db2.gz KODYNOHLHVNQTQ-LBPRGKRZSA-N 1 0 337.405 1.662 20 5 EDBDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000090413129 441628561 /nfs/dbraw/zinc/62/85/61/441628561.db2.gz ULQDRJLQTGZQFW-BXUZGUMPSA-N 1 0 334.376 1.522 20 5 EDBDRO CCN(CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000121555571 441731452 /nfs/dbraw/zinc/73/14/52/441731452.db2.gz VETJOFQIAJHCSW-LBPRGKRZSA-N 1 0 329.422 1.917 20 5 EDBDRO COc1cc(C(=O)N(C)CCC[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000158768216 441761471 /nfs/dbraw/zinc/76/14/71/441761471.db2.gz DDJFJJRLOVQPOC-UHFFFAOYSA-N 1 0 333.291 1.626 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000115586101 441761726 /nfs/dbraw/zinc/76/17/26/441761726.db2.gz FNRXHMGCGSRHFF-CYBMUJFWSA-N 1 0 341.433 1.866 20 5 EDBDRO [NH3+][C@H](CNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000137327451 441763747 /nfs/dbraw/zinc/76/37/47/441763747.db2.gz ZLIXDVOEOPORHE-GFCCVEGCSA-N 1 0 348.359 1.136 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000160170081 441863558 /nfs/dbraw/zinc/86/35/58/441863558.db2.gz VLTFKGKEKMYURU-NXEZZACHSA-N 1 0 329.378 1.104 20 5 EDBDRO [NH3+]C[C@H]1CCCN1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000160198342 441864733 /nfs/dbraw/zinc/86/47/33/441864733.db2.gz VTZIBKGIYJCRJU-GFCCVEGCSA-N 1 0 348.359 1.233 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC000124049525 441907078 /nfs/dbraw/zinc/90/70/78/441907078.db2.gz MTISBDRGEURGFZ-CQSZACIVSA-N 1 0 335.408 1.653 20 5 EDBDRO CCc1nn(C)c(NC[C@@H](O)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000094157488 441908730 /nfs/dbraw/zinc/90/87/30/441908730.db2.gz UHTKXXZIKBUYIA-GFCCVEGCSA-N 1 0 325.413 1.395 20 5 EDBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000124169513 441909177 /nfs/dbraw/zinc/90/91/77/441909177.db2.gz MYCSTFIDYOYBIR-CQSZACIVSA-N 1 0 343.387 1.912 20 5 EDBDRO CCOCC[N@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000093313799 441876594 /nfs/dbraw/zinc/87/65/94/441876594.db2.gz VGPXHXMLOIOJBR-UHFFFAOYSA-N 1 0 325.365 1.900 20 5 EDBDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000144142100 441878644 /nfs/dbraw/zinc/87/86/44/441878644.db2.gz BKJQDLMIKBXXFU-ZFWWWQNUSA-N 1 0 335.404 1.958 20 5 EDBDRO [NH3+]C1(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000160535960 441893815 /nfs/dbraw/zinc/89/38/15/441893815.db2.gz XEYZKVQENGPZRT-UHFFFAOYSA-N 1 0 346.387 1.151 20 5 EDBDRO C[C@H]1CCCN(C(=O)C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000174820372 441971835 /nfs/dbraw/zinc/97/18/35/441971835.db2.gz NFUAZAKJKNTQGS-AWEZNQCLSA-N 1 0 349.435 1.762 20 5 EDBDRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000078963826 441999164 /nfs/dbraw/zinc/99/91/64/441999164.db2.gz XULKNUHHUOJXKU-ZDUSSCGKSA-N 1 0 333.388 1.920 20 5 EDBDRO Cc1c(C(=O)N2CC[NH2+]C(C)(C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000175422912 442059573 /nfs/dbraw/zinc/05/95/73/442059573.db2.gz MTYLIOZGPVGECC-UHFFFAOYSA-N 1 0 344.375 1.308 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000162125800 442066174 /nfs/dbraw/zinc/06/61/74/442066174.db2.gz HITYFUYTXSRAFV-CQSZACIVSA-N 1 0 341.433 1.541 20 5 EDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000162334192 442084823 /nfs/dbraw/zinc/08/48/23/442084823.db2.gz TUHCSEUPWYOBTC-YPMHNXCESA-N 1 0 338.433 1.177 20 5 EDBDRO COC1CC[NH+](CCNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000079999042 442105243 /nfs/dbraw/zinc/10/52/43/442105243.db2.gz KFHOODFBCXOAAN-UHFFFAOYSA-N 1 0 337.376 1.201 20 5 EDBDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176221296 442195142 /nfs/dbraw/zinc/19/51/42/442195142.db2.gz BWMZIRQXKVXPSA-KGLIPLIRSA-N 1 0 337.424 1.808 20 5 EDBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000121278621 442198298 /nfs/dbraw/zinc/19/82/98/442198298.db2.gz ICSBWNSQCDMVBJ-UHFFFAOYSA-N 1 0 335.364 1.365 20 5 EDBDRO Cc1cc(N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)ncc1[N+](=O)[O-] ZINC000127051102 442165576 /nfs/dbraw/zinc/16/55/76/442165576.db2.gz FMHWVKJLGSDSAZ-OAHLLOKOSA-N 1 0 333.436 1.905 20 5 EDBDRO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000152875886 442249480 /nfs/dbraw/zinc/24/94/80/442249480.db2.gz VFYMRFNALZVYCF-NWDGAFQWSA-N 1 0 327.406 1.527 20 5 EDBDRO CC(C)(O)C[NH+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000152569549 442227173 /nfs/dbraw/zinc/22/71/73/442227173.db2.gz SGNXUIDHHHMZNF-UHFFFAOYSA-N 1 0 335.404 1.443 20 5 EDBDRO Cc1ccc([C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[NH+]2CCCC2)o1 ZINC000170633777 442239246 /nfs/dbraw/zinc/23/92/46/442239246.db2.gz OXNKYURMKDLYGV-CQSZACIVSA-N 1 0 347.375 1.646 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000153133333 442263228 /nfs/dbraw/zinc/26/32/28/442263228.db2.gz ZCQARPKHAGTMBK-LBPRGKRZSA-N 1 0 338.383 1.029 20 5 EDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000176873274 442265643 /nfs/dbraw/zinc/26/56/43/442265643.db2.gz ZUSGZMJHIBHMKP-NSHDSACASA-N 1 0 342.371 1.403 20 5 EDBDRO CCOC(=O)c1cc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000153180070 442266175 /nfs/dbraw/zinc/26/61/75/442266175.db2.gz GKFBQDGSGDSSPX-HUUCEWRRSA-N 1 0 335.360 1.291 20 5 EDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000128588700 442276496 /nfs/dbraw/zinc/27/64/96/442276496.db2.gz YISZXYWOVXBTRY-ZIAGYGMSSA-N 1 0 329.360 1.780 20 5 EDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000153345754 442276913 /nfs/dbraw/zinc/27/69/13/442276913.db2.gz KXMDEBGVEZZIPK-CQSZACIVSA-N 1 0 329.784 1.220 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C)[NH2+]1 ZINC000153381690 442279355 /nfs/dbraw/zinc/27/93/55/442279355.db2.gz TYDUZLOUSINWRB-VXGBXAGGSA-N 1 0 343.387 1.818 20 5 EDBDRO C[N@H+](CCNC(=O)Cn1ccc([N+](=O)[O-])n1)Cc1ccc(F)cc1 ZINC000177047298 442289718 /nfs/dbraw/zinc/28/97/18/442289718.db2.gz HWBMEPXHGGPVAL-UHFFFAOYSA-N 1 0 335.339 1.179 20 5 EDBDRO C[NH+](C)C1CCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000177112780 442298464 /nfs/dbraw/zinc/29/84/64/442298464.db2.gz NYGARZUNLKCBLL-UHFFFAOYSA-N 1 0 334.420 1.280 20 5 EDBDRO C[NH+](C)Cc1ccc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)cc1F ZINC000154637304 442349604 /nfs/dbraw/zinc/34/96/04/442349604.db2.gz OMUWNEGNGOFBGO-UHFFFAOYSA-N 1 0 335.339 1.308 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000171643049 442366426 /nfs/dbraw/zinc/36/64/26/442366426.db2.gz QKEJXHRPIVPGQT-ZDUSSCGKSA-N 1 0 338.408 1.875 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000171750143 442377188 /nfs/dbraw/zinc/37/71/88/442377188.db2.gz ZQQXJEAUTPXBEY-AWEZNQCLSA-N 1 0 349.435 1.372 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000171953043 442393090 /nfs/dbraw/zinc/39/30/90/442393090.db2.gz SKAPTCGBBVYZPT-AWEZNQCLSA-N 1 0 339.417 1.844 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000172029089 442401462 /nfs/dbraw/zinc/40/14/62/442401462.db2.gz IBUCNNWRAHAELS-ZDUSSCGKSA-N 1 0 343.387 1.804 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000172209877 442424151 /nfs/dbraw/zinc/42/41/51/442424151.db2.gz LPXODJCZECYHNS-GFCCVEGCSA-N 1 0 337.376 1.392 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178620166 442448994 /nfs/dbraw/zinc/44/89/94/442448994.db2.gz AXXOUGYOFLOTSZ-CYBMUJFWSA-N 1 0 334.376 1.781 20 5 EDBDRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000134180468 442455363 /nfs/dbraw/zinc/45/53/63/442455363.db2.gz RIMVOXBNXCPLRG-CQSZACIVSA-N 1 0 343.387 1.612 20 5 EDBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000178840875 442499535 /nfs/dbraw/zinc/49/95/35/442499535.db2.gz WZVFBKCXDCVQCB-GFCCVEGCSA-N 1 0 343.387 1.980 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134258424 442462534 /nfs/dbraw/zinc/46/25/34/442462534.db2.gz UHIUHEFGHAJDRF-GFCCVEGCSA-N 1 0 325.340 1.575 20 5 EDBDRO C[NH+](C)C1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000134922402 442536817 /nfs/dbraw/zinc/53/68/17/442536817.db2.gz ODEQURUAEGQYKR-UHFFFAOYSA-N 1 0 328.166 1.743 20 5 EDBDRO CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H]1CC[NH2+]C1 ZINC000179075901 442566195 /nfs/dbraw/zinc/56/61/95/442566195.db2.gz MRDLLHAZYDUPBW-AWEZNQCLSA-N 1 0 335.407 1.975 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000173243581 442631435 /nfs/dbraw/zinc/63/14/35/442631435.db2.gz LUTMTXDTQVXASQ-WFASDCNBSA-N 1 0 341.433 1.697 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000192662668 442674269 /nfs/dbraw/zinc/67/42/69/442674269.db2.gz XZVWKPAKXQMVDA-GFCCVEGCSA-N 1 0 327.406 1.666 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000181228875 442685414 /nfs/dbraw/zinc/68/54/14/442685414.db2.gz AYIKCJCVRDNHKC-LBPRGKRZSA-N 1 0 336.392 1.144 20 5 EDBDRO COC(=O)Cn1cc(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000181844175 442719101 /nfs/dbraw/zinc/71/91/01/442719101.db2.gz BGPNMHMTDTYFIL-GFCCVEGCSA-N 1 0 347.375 1.561 20 5 EDBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000193574813 442755384 /nfs/dbraw/zinc/75/53/84/442755384.db2.gz XDPLUPXYTAQMQI-OTYXRUKQSA-N 1 0 338.339 1.177 20 5 EDBDRO Cc1nn(C)c(Sc2nnc([C@H]3CCC[NH2+]C3)n2C)c1[N+](=O)[O-] ZINC000265477810 442787990 /nfs/dbraw/zinc/78/79/90/442787990.db2.gz RJJUAQATTOKVML-VIFPVBQESA-N 1 0 337.409 1.383 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[N@@H+]1C1CC1 ZINC000182350380 442759148 /nfs/dbraw/zinc/75/91/48/442759148.db2.gz TUPMCOGPHBCBIM-GXSJLCMTSA-N 1 0 333.344 1.679 20 5 EDBDRO CC[N@@H+]1CCC[C@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000193717676 442772584 /nfs/dbraw/zinc/77/25/84/442772584.db2.gz UPPLFKKZBUNUKB-JTQLQIEISA-N 1 0 328.394 1.138 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000193946502 442817356 /nfs/dbraw/zinc/81/73/56/442817356.db2.gz KVIZXNDEGCRBCI-GFCCVEGCSA-N 1 0 348.403 1.887 20 5 EDBDRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246881588 442819921 /nfs/dbraw/zinc/81/99/21/442819921.db2.gz RDILJSLMHLKRRI-TZMCWYRMSA-N 1 0 348.403 1.722 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)cc1C ZINC000268223130 442906562 /nfs/dbraw/zinc/90/65/62/442906562.db2.gz JRIDNXTYWIYWFI-TZMCWYRMSA-N 1 0 341.433 1.782 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NC[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000183455963 442933425 /nfs/dbraw/zinc/93/34/25/442933425.db2.gz HSWCFBKZYUCDFA-ZDUSSCGKSA-N 1 0 348.403 1.091 20 5 EDBDRO [NH3+]CCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000194740082 442945622 /nfs/dbraw/zinc/94/56/22/442945622.db2.gz NQBBEIKJCBUJLC-UHFFFAOYSA-N 1 0 341.311 1.631 20 5 EDBDRO CC[C@]1(CO)CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000249551239 442985796 /nfs/dbraw/zinc/98/57/96/442985796.db2.gz HZIQFOSPXDVESW-PBHICJAKSA-N 1 0 338.404 1.819 20 5 EDBDRO COCC[N@H+](C)CCCNc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000189430368 442952009 /nfs/dbraw/zinc/95/20/09/442952009.db2.gz MZNFLOGMZQCIKM-UHFFFAOYSA-N 1 0 327.381 1.992 20 5 EDBDRO C[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000189937914 443033044 /nfs/dbraw/zinc/03/30/44/443033044.db2.gz ODWKCURLWDYVQJ-BBRMVZONSA-N 1 0 337.420 1.405 20 5 EDBDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000296548905 318706459 /nfs/dbraw/zinc/70/64/59/318706459.db2.gz OOSOWGVJFGJCMO-NSHDSACASA-N 1 0 341.795 1.825 20 5 EDBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000184897975 443094054 /nfs/dbraw/zinc/09/40/54/443094054.db2.gz FOYKNMQVGWJTCM-YOEHRIQHSA-N 1 0 337.420 1.592 20 5 EDBDRO C[C@@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC000255725875 443108819 /nfs/dbraw/zinc/10/88/19/443108819.db2.gz BKUDZWURZPSNML-XHPSBEMXSA-N 1 0 346.431 1.608 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000268792883 443109524 /nfs/dbraw/zinc/10/95/24/443109524.db2.gz NGDIDVPQNFBGDZ-LBPRGKRZSA-N 1 0 343.405 1.318 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000266381752 443112393 /nfs/dbraw/zinc/11/23/93/443112393.db2.gz IHLPNLKTKJYBRV-CQSZACIVSA-N 1 0 349.387 1.586 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)c1C ZINC000268803078 443113927 /nfs/dbraw/zinc/11/39/27/443113927.db2.gz QRPWJLZLVHFKHM-FZMZJTMJSA-N 1 0 341.433 1.782 20 5 EDBDRO C[C@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185249636 443169588 /nfs/dbraw/zinc/16/95/88/443169588.db2.gz ISSUPDVZZGOSDP-WCQYABFASA-N 1 0 339.367 1.626 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000261976906 443177579 /nfs/dbraw/zinc/17/75/79/443177579.db2.gz ZSMMOOXVSBHUEV-ZDUSSCGKSA-N 1 0 341.433 1.960 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000269095768 443196926 /nfs/dbraw/zinc/19/69/26/443196926.db2.gz NWKZZTYQBYIXHG-HUUCEWRRSA-N 1 0 345.403 1.623 20 5 EDBDRO Cc1nn(Cc2ccc(C(=O)NCCC[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000237877267 443185825 /nfs/dbraw/zinc/18/58/25/443185825.db2.gz VIEFRCLRZHAGIE-UHFFFAOYSA-N 1 0 331.376 1.535 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@H](O)C[C@@H]3CO)o2)c1 ZINC000185167454 443153500 /nfs/dbraw/zinc/15/35/00/443153500.db2.gz WCHDSWQRDURGJA-ZIAGYGMSSA-N 1 0 333.344 1.220 20 5 EDBDRO O=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185581538 443222568 /nfs/dbraw/zinc/22/25/68/443222568.db2.gz KALVNSKOIHEFPP-LLVKDONJSA-N 1 0 328.328 1.704 20 5 EDBDRO COc1cc(C(=O)N[C@@H](C[NH3+])CC(C)C)cc([N+](=O)[O-])c1OC ZINC000269182210 443224986 /nfs/dbraw/zinc/22/49/86/443224986.db2.gz DVIDTKXJHMAMHI-LLVKDONJSA-N 1 0 325.365 1.715 20 5 EDBDRO COCC1(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000327681679 318946684 /nfs/dbraw/zinc/94/66/84/318946684.db2.gz NRHYPFZTVHOLOJ-UHFFFAOYSA-N 1 0 347.375 1.672 20 5 EDBDRO COc1cc(C(=O)N2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000269111508 443201490 /nfs/dbraw/zinc/20/14/90/443201490.db2.gz JHLOUTWJCMMKSJ-QMMMGPOBSA-N 1 0 345.302 1.768 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+](C[C@@H](C)O)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000190890928 443204439 /nfs/dbraw/zinc/20/44/39/443204439.db2.gz LLCDEGCLNBCBHA-NWDGAFQWSA-N 1 0 339.392 1.295 20 5 EDBDRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000397421367 319134840 /nfs/dbraw/zinc/13/48/40/319134840.db2.gz UWOXNBKGLNSNBT-BZPMIXESSA-N 1 0 341.433 1.730 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000264478475 443305508 /nfs/dbraw/zinc/30/55/08/443305508.db2.gz HLCOFTWZMJPWTC-NSHDSACASA-N 1 0 332.360 1.527 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[NH+](C4CCOCC4)CC3)nc2c1 ZINC000278403309 443319678 /nfs/dbraw/zinc/31/96/78/443319678.db2.gz GXBLHVLOUYLKCU-UHFFFAOYSA-N 1 0 331.376 1.772 20 5 EDBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000264545778 443320819 /nfs/dbraw/zinc/32/08/19/443320819.db2.gz BTJKANOETAIHCS-MRXNPFEDSA-N 1 0 343.387 1.895 20 5 EDBDRO CC(C)(C)OC1CC([NH2+][C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272446287 443321010 /nfs/dbraw/zinc/32/10/10/443321010.db2.gz PCEZDVKZXMHDHB-DISOXQEGSA-N 1 0 338.404 1.925 20 5 EDBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000264565998 443329120 /nfs/dbraw/zinc/32/91/20/443329120.db2.gz VZKJQMLTXMIXHB-HNNXBMFYSA-N 1 0 346.431 1.837 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272497055 443340577 /nfs/dbraw/zinc/34/05/77/443340577.db2.gz WOELTOYSOYIEMT-ZFWWWQNUSA-N 1 0 339.417 1.451 20 5 EDBDRO COC(=O)C1CC[NH+](CCCNc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000264452636 443296958 /nfs/dbraw/zinc/29/69/58/443296958.db2.gz IOIYRJOBAVRHFB-UHFFFAOYSA-N 1 0 336.392 1.985 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[N@@H+](C)C1CC1 ZINC000267227692 443385712 /nfs/dbraw/zinc/38/57/12/443385712.db2.gz VWKSQXHSYHZUCL-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO C[N@@H+]1CC[C@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000264716429 443388754 /nfs/dbraw/zinc/38/87/54/443388754.db2.gz GYNKUBWEAWGNIW-SECBINFHSA-N 1 0 349.359 1.955 20 5 EDBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000264678149 443370868 /nfs/dbraw/zinc/37/08/68/443370868.db2.gz KJPZNGLBDHZAJI-NSHDSACASA-N 1 0 326.784 1.224 20 5 EDBDRO CN(C1CC[NH2+]CC1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420398330 319616162 /nfs/dbraw/zinc/61/61/62/319616162.db2.gz AHVBLCJEVIRBRE-UHFFFAOYSA-N 1 0 327.406 1.151 20 5 EDBDRO O=C1CCCN1C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269683225 443394407 /nfs/dbraw/zinc/39/44/07/443394407.db2.gz YWPYBTCCFRRHSF-INIZCTEOSA-N 1 0 333.388 1.715 20 5 EDBDRO CC[NH+]1CCN(CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000264924008 443478279 /nfs/dbraw/zinc/47/82/79/443478279.db2.gz QMQXXHJUVDXART-UHFFFAOYSA-N 1 0 345.403 1.443 20 5 EDBDRO C[NH+](C)CCCCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264946557 443486888 /nfs/dbraw/zinc/48/68/88/443486888.db2.gz XGDYWFIOEFHQTN-UHFFFAOYSA-N 1 0 336.392 1.173 20 5 EDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267443640 443459329 /nfs/dbraw/zinc/45/93/29/443459329.db2.gz PMSGRHNKZNAGSC-ZDUSSCGKSA-N 1 0 334.376 1.781 20 5 EDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000264869226 443460419 /nfs/dbraw/zinc/46/04/19/443460419.db2.gz GKVZZYCAEKBVID-LBPRGKRZSA-N 1 0 331.376 1.851 20 5 EDBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(C)(C)O ZINC000265052798 443518816 /nfs/dbraw/zinc/51/88/16/443518816.db2.gz QMNLCYVASUMKLV-UHFFFAOYSA-N 1 0 325.365 1.635 20 5 EDBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CC[NH+](C)C ZINC000272210454 443557592 /nfs/dbraw/zinc/55/75/92/443557592.db2.gz LRYNCSPJNDRZEU-JTQLQIEISA-N 1 0 333.385 1.661 20 5 EDBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@@H](C)C1 ZINC000265175172 443559332 /nfs/dbraw/zinc/55/93/32/443559332.db2.gz CGHHFDAJOMXBQT-NWDGAFQWSA-N 1 0 338.412 1.516 20 5 EDBDRO O=C(NC[C@H](O)C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000273374632 443569079 /nfs/dbraw/zinc/56/90/79/443569079.db2.gz HESKGPUSNHXQER-NSHDSACASA-N 1 0 326.328 1.312 20 5 EDBDRO O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000279402588 443578286 /nfs/dbraw/zinc/57/82/86/443578286.db2.gz DBCWQBSBEZPSGQ-QGZVFWFLSA-N 1 0 344.415 1.870 20 5 EDBDRO C[N@H+]1CC=C(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000272191825 443552520 /nfs/dbraw/zinc/55/25/20/443552520.db2.gz FYOHKCHBBGSLAH-UHFFFAOYSA-N 1 0 345.808 1.788 20 5 EDBDRO C[NH+](C)C1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000272318554 443590322 /nfs/dbraw/zinc/59/03/22/443590322.db2.gz HWLHNFBWSUNRDV-UHFFFAOYSA-N 1 0 330.291 1.974 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000279851754 443633193 /nfs/dbraw/zinc/63/31/93/443633193.db2.gz SAVMVSPHJFBRGS-CQSZACIVSA-N 1 0 337.376 1.635 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1[NH3+] ZINC000429130028 319920860 /nfs/dbraw/zinc/92/08/60/319920860.db2.gz BRUVIDYXWSEAGA-RISCZKNCSA-N 1 0 329.360 1.590 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@H]4CC[C@@H](C3)[NH2+]4)n2)c1 ZINC000430560525 319933864 /nfs/dbraw/zinc/93/38/64/319933864.db2.gz GWIGJJMDKUXPNI-OLZOCXBDSA-N 1 0 329.360 1.971 20 5 EDBDRO CO[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000440851587 320083969 /nfs/dbraw/zinc/08/39/69/320083969.db2.gz VWBYGYLHHMUCIS-NEPJUHHUSA-N 1 0 343.405 1.030 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000440862343 320084709 /nfs/dbraw/zinc/08/47/09/320084709.db2.gz JLXYNSCTAMWGCM-NWDGAFQWSA-N 1 0 327.406 1.760 20 5 EDBDRO C[C@@H]1CC[N@H+](C)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443768407 320112937 /nfs/dbraw/zinc/11/29/37/320112937.db2.gz FJWQFWRKLMWNEG-GFCCVEGCSA-N 1 0 327.406 1.451 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000449415960 320189545 /nfs/dbraw/zinc/18/95/45/320189545.db2.gz QPNZXOHDXWVKBL-AWEZNQCLSA-N 1 0 338.360 1.804 20 5 EDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449661820 320197777 /nfs/dbraw/zinc/19/77/77/320197777.db2.gz JOFUWJVIQWSIPN-CYBMUJFWSA-N 1 0 342.346 1.900 20 5 EDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CCC1(F)F ZINC000449668214 320199404 /nfs/dbraw/zinc/19/94/04/320199404.db2.gz WBIQRGIEULVYQB-GFCCVEGCSA-N 1 0 329.303 1.477 20 5 EDBDRO CCN(CCC[NH+](CC)CC)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000276396055 443697374 /nfs/dbraw/zinc/69/73/74/443697374.db2.gz FQSQYQCCSHYNHU-UHFFFAOYSA-N 1 0 340.428 1.555 20 5 EDBDRO O=c1[nH]ccc2c1C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000277015887 443889775 /nfs/dbraw/zinc/88/97/75/443889775.db2.gz YYCUZJQPQOPQJZ-AWEZNQCLSA-N 1 0 345.355 1.493 20 5 EDBDRO CC(C)[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000537942768 320740066 /nfs/dbraw/zinc/74/00/66/320740066.db2.gz NTAMTWBXQMXRFM-OAHLLOKOSA-N 1 0 341.433 1.897 20 5 EDBDRO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000285468619 443996147 /nfs/dbraw/zinc/99/61/47/443996147.db2.gz BVIRNZBWBXMHSL-HNNXBMFYSA-N 1 0 341.433 1.493 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000299106274 443957153 /nfs/dbraw/zinc/95/71/53/443957153.db2.gz CEHKLUAEYKLYJN-OAHLLOKOSA-N 1 0 349.366 1.740 20 5 EDBDRO Cc1c(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000293521326 444041741 /nfs/dbraw/zinc/04/17/41/444041741.db2.gz UHUGOOIURQYJCH-DGCLKSJQSA-N 1 0 348.359 1.944 20 5 EDBDRO C[C@H]1C[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@H]1C ZINC000293431452 444015964 /nfs/dbraw/zinc/01/59/64/444015964.db2.gz NXJCVRFDNDBICE-KBPBESRZSA-N 1 0 332.404 1.584 20 5 EDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000560446076 321028235 /nfs/dbraw/zinc/02/82/35/321028235.db2.gz PMLKLOPRVTVYLY-LLVKDONJSA-N 1 0 341.412 1.264 20 5 EDBDRO O=C(C[N@H+]1CCCC[C@@H]1C1(O)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000562682287 321069901 /nfs/dbraw/zinc/06/99/01/321069901.db2.gz NLLBGDJIIWLIRB-MRXNPFEDSA-N 1 0 345.399 1.863 20 5 EDBDRO C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1ccc(F)cc1 ZINC000564853418 321151392 /nfs/dbraw/zinc/15/13/92/321151392.db2.gz CDTYSHPUSCITJB-SMDDNHRTSA-N 1 0 338.339 1.348 20 5 EDBDRO CCc1cccc(OC[C@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000566114283 321216695 /nfs/dbraw/zinc/21/66/95/321216695.db2.gz FCRNYHWZOPXTOS-OAHLLOKOSA-N 1 0 334.376 1.383 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000566118793 321217887 /nfs/dbraw/zinc/21/78/87/321217887.db2.gz GVBVDWPIXKBGSB-VXGBXAGGSA-N 1 0 345.346 1.264 20 5 EDBDRO COCCC1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000567605137 321247661 /nfs/dbraw/zinc/24/76/61/321247661.db2.gz DUPNVJWMEZOPNF-AWEZNQCLSA-N 1 0 326.397 1.339 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)C[C@@H]21 ZINC000568357885 321287576 /nfs/dbraw/zinc/28/75/76/321287576.db2.gz IRIPKJFOLAIBFK-WBMJQRKESA-N 1 0 341.371 1.557 20 5 EDBDRO C[C@H]1C[C@@H](Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[N@@H+]1C1CC1 ZINC000569058101 321315953 /nfs/dbraw/zinc/31/59/53/321315953.db2.gz DZNGMLIOBLTHSE-VHSXEESVSA-N 1 0 340.405 1.279 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000570570014 321348693 /nfs/dbraw/zinc/34/86/93/321348693.db2.gz OJNAPEUOLKKGGS-UHFFFAOYSA-N 1 0 336.377 1.504 20 5 EDBDRO CN(CCC[NH+](C)C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000572061555 321413097 /nfs/dbraw/zinc/41/30/97/321413097.db2.gz CGBFSSWMZGNPMK-UHFFFAOYSA-N 1 0 343.405 1.022 20 5 EDBDRO COC[C@@H](C)OC[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000278287129 444130051 /nfs/dbraw/zinc/13/00/51/444130051.db2.gz IOZXQMVJWQADPZ-DYVFJYSZSA-N 1 0 338.404 1.972 20 5 EDBDRO Cc1c(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000278300965 444132993 /nfs/dbraw/zinc/13/29/93/444132993.db2.gz RVNHDJMAAVZXJI-GZMMTYOYSA-N 1 0 336.348 1.990 20 5 EDBDRO COc1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1O ZINC000574444832 321483996 /nfs/dbraw/zinc/48/39/96/321483996.db2.gz DKCBLDPDYZDOSZ-ZDUSSCGKSA-N 1 0 348.355 1.839 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NC[C@@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000574741614 321497823 /nfs/dbraw/zinc/49/78/23/321497823.db2.gz GTFRGDFKPZUJAY-CYBMUJFWSA-N 1 0 341.433 1.974 20 5 EDBDRO CN(C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000302696229 444220532 /nfs/dbraw/zinc/22/05/32/444220532.db2.gz WLSIBAPJGIWONF-CYBMUJFWSA-N 1 0 342.827 1.293 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000576328972 321556756 /nfs/dbraw/zinc/55/67/56/321556756.db2.gz OWFNIWDPJPEJJD-KRWDZBQOSA-N 1 0 346.387 1.444 20 5 EDBDRO CN(CC1CC[NH+](C)CC1)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000302126296 444205222 /nfs/dbraw/zinc/20/52/22/444205222.db2.gz ZRCFIKQVVRPPPE-UHFFFAOYSA-N 1 0 342.421 1.020 20 5 EDBDRO O=[N+]([O-])c1cccc(OCCN2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000304676066 444251371 /nfs/dbraw/zinc/25/13/71/444251371.db2.gz DBMMMTNIRVJLPG-DLBZAZTESA-N 1 0 349.431 1.895 20 5 EDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)N(C)C ZINC000290278395 444262292 /nfs/dbraw/zinc/26/22/92/444262292.db2.gz WXEGLDOCIMJZTA-LBPRGKRZSA-N 1 0 329.422 1.397 20 5 EDBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000305202093 444264482 /nfs/dbraw/zinc/26/44/82/444264482.db2.gz BCXBWJXBUILKBA-TZMCWYRMSA-N 1 0 333.388 1.719 20 5 EDBDRO CN(C)[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000577741663 321678749 /nfs/dbraw/zinc/67/87/49/321678749.db2.gz UNYPKCDGANQZPO-JKSUJKDBSA-N 1 0 339.440 1.252 20 5 EDBDRO CC[C@@H](C)[N@H+](C)CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000290612832 444301519 /nfs/dbraw/zinc/30/15/19/444301519.db2.gz KLSVFVZVCVDJOI-SNVBAGLBSA-N 1 0 330.410 1.384 20 5 EDBDRO Cc1ccc(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])nc1 ZINC000578187330 321734707 /nfs/dbraw/zinc/73/47/07/321734707.db2.gz YHHLCOCVHSUXIX-HNNXBMFYSA-N 1 0 331.372 1.870 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000323674613 444345183 /nfs/dbraw/zinc/34/51/83/444345183.db2.gz XNKAWIXVVMEVFO-GFCCVEGCSA-N 1 0 336.314 1.879 20 5 EDBDRO Cc1cc(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000297783209 444333922 /nfs/dbraw/zinc/33/39/22/444333922.db2.gz GUAHDVOJBKXCKQ-UHFFFAOYSA-N 1 0 348.403 1.690 20 5 EDBDRO CN(C)S(=O)(=O)c1ccc(NC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000321076084 444334093 /nfs/dbraw/zinc/33/40/93/444334093.db2.gz CWSQOPWTTQKPBB-LLVKDONJSA-N 1 0 342.421 1.399 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000337826376 444426464 /nfs/dbraw/zinc/42/64/64/444426464.db2.gz XMLMKRPTRUOXDO-UHFFFAOYSA-N 1 0 327.406 1.667 20 5 EDBDRO COc1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000327679043 444383718 /nfs/dbraw/zinc/38/37/18/444383718.db2.gz CJRYKDWFHGUFFQ-GTNSWQLSSA-N 1 0 349.387 1.813 20 5 EDBDRO O=C(CC[NH2+]C[C@H](CO)[C@@H]1CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000579474637 321939872 /nfs/dbraw/zinc/93/98/72/321939872.db2.gz GUINELWFBWBUAJ-CHWSQXEVSA-N 1 0 337.376 1.158 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000580217581 322025631 /nfs/dbraw/zinc/02/56/31/322025631.db2.gz QBNRIHZWXILSEW-IUODEOHRSA-N 1 0 343.387 1.958 20 5 EDBDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000580555156 322066662 /nfs/dbraw/zinc/06/66/62/322066662.db2.gz GZGKKGDTSDRLNT-OCCSQVGLSA-N 1 0 346.387 1.735 20 5 EDBDRO C[C@@H](O)C[C@@H](C)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000580564272 322068018 /nfs/dbraw/zinc/06/80/18/322068018.db2.gz QMFWKWADSSVNIV-VXGBXAGGSA-N 1 0 330.406 1.365 20 5 EDBDRO C[NH2+][C@H](C)Cc1noc(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000581011044 322124238 /nfs/dbraw/zinc/12/42/38/322124238.db2.gz ILRCFTIZPWISTJ-SNVBAGLBSA-N 1 0 333.348 1.367 20 5 EDBDRO [NH3+]CC1(O)CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000581072094 322132112 /nfs/dbraw/zinc/13/21/12/322132112.db2.gz SMEGCLLJSNRZBM-UHFFFAOYSA-N 1 0 335.385 1.735 20 5 EDBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000581508622 322185929 /nfs/dbraw/zinc/18/59/29/322185929.db2.gz WECNHWRXUSWELE-CQSZACIVSA-N 1 0 348.403 1.267 20 5 EDBDRO CC(C)[N@H+](C)CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000338424483 444686365 /nfs/dbraw/zinc/68/63/65/444686365.db2.gz MOSXOQXKLOEBKJ-UHFFFAOYSA-N 1 0 331.376 1.851 20 5 EDBDRO CCn1nccc1CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000338545035 444742088 /nfs/dbraw/zinc/74/20/88/444742088.db2.gz GHNHNMKMUODRQB-CYBMUJFWSA-N 1 0 330.392 1.935 20 5 EDBDRO C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C[NH+](C)C ZINC000341239015 444744776 /nfs/dbraw/zinc/74/47/76/444744776.db2.gz YNYNRNVGCJWXDU-GFCCVEGCSA-N 1 0 346.387 1.836 20 5 EDBDRO [NH3+]C1(CNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCC1 ZINC000342595871 444765236 /nfs/dbraw/zinc/76/52/36/444765236.db2.gz SNVWESQKYXQJOY-UHFFFAOYSA-N 1 0 348.359 1.281 20 5 EDBDRO C[NH2+]C[C@@H](C)CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000336852925 444802496 /nfs/dbraw/zinc/80/24/96/444802496.db2.gz AVNMXGAIQUNHOQ-SNVBAGLBSA-N 1 0 330.410 1.113 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000342760634 444853015 /nfs/dbraw/zinc/85/30/15/444853015.db2.gz ZRKAPAYXQDTDRS-UONOGXRCSA-N 1 0 346.387 1.937 20 5 EDBDRO CC1=CC[N@H+](CCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000342838995 444887502 /nfs/dbraw/zinc/88/75/02/444887502.db2.gz JZHRXLFQBFMPCP-UHFFFAOYSA-N 1 0 329.360 2.308 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2Cn2ccnn2)c1 ZINC000344351084 444913061 /nfs/dbraw/zinc/91/30/61/444913061.db2.gz VHECKKWODHXABS-GJZGRUSLSA-N 1 0 347.375 1.091 20 5 EDBDRO C[C@H](C(=O)NC[C@H]1C[N@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1F ZINC000330837554 445160913 /nfs/dbraw/zinc/16/09/13/445160913.db2.gz IIZMODOZKSVBDL-AAEUAGOBSA-N 1 0 338.383 1.199 20 5 EDBDRO C[C@H]1[C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCC[N@@H+]1C ZINC000343418186 445218986 /nfs/dbraw/zinc/21/89/86/445218986.db2.gz BJEUFJLACZFMCT-SWLSCSKDSA-N 1 0 343.387 1.993 20 5 EDBDRO C[C@H]1[C@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343455721 445226018 /nfs/dbraw/zinc/22/60/18/445226018.db2.gz JQSNKNJZBXHVKB-GXSJLCMTSA-N 1 0 328.394 1.137 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351748340 445306306 /nfs/dbraw/zinc/30/63/06/445306306.db2.gz HRBLEZLIIYAEAI-GFCCVEGCSA-N 1 0 340.355 1.966 20 5 EDBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2ccnn2C)c([N+](=O)[O-])c1 ZINC000348400094 445276731 /nfs/dbraw/zinc/27/67/31/445276731.db2.gz JCBWILBNTALIQV-UHFFFAOYSA-N 1 0 347.375 1.798 20 5 EDBDRO Cc1c(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000343645945 445279906 /nfs/dbraw/zinc/27/99/06/445279906.db2.gz QQWKAPLBDOBLJL-UHFFFAOYSA-N 1 0 346.431 1.643 20 5 EDBDRO CO[C@H]1C[C@H](CN(C)C(=O)CNc2ccccc2[N+](=O)[O-])[N@H+](C)C1 ZINC000348707103 445350339 /nfs/dbraw/zinc/35/03/39/445350339.db2.gz WRDTVRSAAJGMPV-OLZOCXBDSA-N 1 0 336.392 1.184 20 5 EDBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000354728334 445353756 /nfs/dbraw/zinc/35/37/56/445353756.db2.gz NBCCTSBCLIGEDH-OKILXGFUSA-N 1 0 336.440 1.323 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348779905 445377493 /nfs/dbraw/zinc/37/74/93/445377493.db2.gz GBVWPQCLMOLDCV-AWEZNQCLSA-N 1 0 343.387 1.580 20 5 EDBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000362517000 445420606 /nfs/dbraw/zinc/42/06/06/445420606.db2.gz VLQKYFRMRYENHN-XJKSGUPXSA-N 1 0 340.376 1.514 20 5 EDBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCCCC[NH+]1CCCC1 ZINC000357051493 445396896 /nfs/dbraw/zinc/39/68/96/445396896.db2.gz JMRWKTXKRVBUIX-UHFFFAOYSA-N 1 0 336.392 1.139 20 5 EDBDRO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000362625854 445468336 /nfs/dbraw/zinc/46/83/36/445468336.db2.gz YZRUGJOAWFASPP-GFCCVEGCSA-N 1 0 325.413 1.619 20 5 EDBDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000362706184 445510305 /nfs/dbraw/zinc/51/03/05/445510305.db2.gz OMHQVUAWQIAUAK-OAHLLOKOSA-N 1 0 331.376 1.636 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)s1 ZINC000360003523 445522894 /nfs/dbraw/zinc/52/28/94/445522894.db2.gz VEBSUUPWGPVLGP-VHSXEESVSA-N 1 0 331.419 1.323 20 5 EDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000357239418 445500475 /nfs/dbraw/zinc/50/04/75/445500475.db2.gz JRGYUQDGQCXRCJ-RYUDHWBXSA-N 1 0 329.360 1.780 20 5 EDBDRO CC[NH+]1CCC(N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C2CC2)CC1 ZINC000360124782 445581058 /nfs/dbraw/zinc/58/10/58/445581058.db2.gz WYXOXTRDBYKKPZ-UHFFFAOYSA-N 1 0 348.403 1.232 20 5 EDBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000349250142 445546708 /nfs/dbraw/zinc/54/67/08/445546708.db2.gz FPFDQZHGTLITOG-CYBMUJFWSA-N 1 0 338.408 1.506 20 5 EDBDRO CCc1ccc(C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000356073074 445603199 /nfs/dbraw/zinc/60/31/99/445603199.db2.gz XBTZRJPZBBQBLI-SWLSCSKDSA-N 1 0 335.404 1.684 20 5 EDBDRO CC(C)OCC[C@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000349857568 445701800 /nfs/dbraw/zinc/70/18/00/445701800.db2.gz VJXMPULSMPWAFL-ZFWWWQNUSA-N 1 0 338.408 1.652 20 5 EDBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCCCO)c([N+](=O)[O-])c1 ZINC000349946135 445730065 /nfs/dbraw/zinc/73/00/65/445730065.db2.gz PFFDVRWJMLXEFS-LLVKDONJSA-N 1 0 325.365 1.635 20 5 EDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000583701365 326122322 /nfs/dbraw/zinc/12/23/22/326122322.db2.gz MQCVYNJKWTUHIS-NXEZZACHSA-N 1 0 330.344 1.800 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366188502 446072625 /nfs/dbraw/zinc/07/26/25/446072625.db2.gz APJKZBNLQNUHHS-MRXNPFEDSA-N 1 0 333.388 1.507 20 5 EDBDRO CN1C(=O)C[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@H]1c1ccc(F)cc1 ZINC000365190899 446073435 /nfs/dbraw/zinc/07/34/35/446073435.db2.gz PNCQYRKUOIXIQK-CZUORRHYSA-N 1 0 347.350 1.492 20 5 EDBDRO Nc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000366201399 446080168 /nfs/dbraw/zinc/08/01/68/446080168.db2.gz LYPYLULSHDFXAK-CYBMUJFWSA-N 1 0 334.376 1.160 20 5 EDBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365354943 446165408 /nfs/dbraw/zinc/16/54/08/446165408.db2.gz IWFFRMQCPOJODS-ZBEGNZNMSA-N 1 0 328.372 1.829 20 5 EDBDRO C[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000359314005 446143154 /nfs/dbraw/zinc/14/31/54/446143154.db2.gz ONDNJKKNFJDZFB-RYUDHWBXSA-N 1 0 343.405 1.030 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365550764 446251110 /nfs/dbraw/zinc/25/11/10/446251110.db2.gz KLZIAHPAHHMKHI-MAZHCROVSA-N 1 0 330.388 1.855 20 5 EDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C2)C1 ZINC000366560947 446262348 /nfs/dbraw/zinc/26/23/48/446262348.db2.gz SNRPWOBGOIEABF-QGZVFWFLSA-N 1 0 332.404 1.951 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000370656232 446375966 /nfs/dbraw/zinc/37/59/66/446375966.db2.gz KOWITTMAAYRNLN-KRWDZBQOSA-N 1 0 349.387 1.779 20 5 EDBDRO O=[N+]([O-])c1cccc(F)c1NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420247454 446430553 /nfs/dbraw/zinc/43/05/53/446430553.db2.gz UPXYEAOKGKQHFM-LLVKDONJSA-N 1 0 336.289 1.982 20 5 EDBDRO Cc1cc(N2CCCO[C@@H](C[NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420270880 446441743 /nfs/dbraw/zinc/44/17/43/446441743.db2.gz JXFITJHXSZODPC-HNNXBMFYSA-N 1 0 343.387 1.914 20 5 EDBDRO COc1ccc(NC(=O)CCN2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000420287154 446452952 /nfs/dbraw/zinc/45/29/52/446452952.db2.gz GALWNHBFQBTHQM-LBPRGKRZSA-N 1 0 336.392 1.745 20 5 EDBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420274755 446445181 /nfs/dbraw/zinc/44/51/81/446445181.db2.gz NJGYAHABWAVAIJ-CYBMUJFWSA-N 1 0 333.388 1.989 20 5 EDBDRO [NH3+]CC[C@@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])C(F)F ZINC000420277804 446446629 /nfs/dbraw/zinc/44/66/29/446446629.db2.gz IWRRENUVUWGDJA-LLVKDONJSA-N 1 0 328.319 1.881 20 5 EDBDRO [NH3+][C@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000417995200 446409687 /nfs/dbraw/zinc/40/96/87/446409687.db2.gz RRBYPVCOCRNKRC-GFCCVEGCSA-N 1 0 326.784 1.827 20 5 EDBDRO CO[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000418225978 446464987 /nfs/dbraw/zinc/46/49/87/446464987.db2.gz ANVLYUABBVAPMS-TUKIKUTGSA-N 1 0 336.392 1.804 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NCC2(C)CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000423531728 446563728 /nfs/dbraw/zinc/56/37/28/446563728.db2.gz YOWQXDYKRQGYTG-UHFFFAOYSA-N 1 0 349.387 1.891 20 5 EDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420350133 446527411 /nfs/dbraw/zinc/52/74/11/446527411.db2.gz RMBRWKRVXAVJOK-QGZVFWFLSA-N 1 0 348.447 1.862 20 5 EDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418461148 446551715 /nfs/dbraw/zinc/55/17/15/446551715.db2.gz KQYCSSQFBGGVKO-CZUORRHYSA-N 1 0 347.419 1.554 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000375059276 446553144 /nfs/dbraw/zinc/55/31/44/446553144.db2.gz JKWQZRBZWMRONB-BXUZGUMPSA-N 1 0 332.360 1.086 20 5 EDBDRO NC(=O)c1ccc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420410578 446582924 /nfs/dbraw/zinc/58/29/24/446582924.db2.gz XZCHRWRIOARINP-DZGCQCFKSA-N 1 0 332.404 1.658 20 5 EDBDRO O=C(NCC1=CC[NH2+]CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418536956 446585587 /nfs/dbraw/zinc/58/55/87/446585587.db2.gz HRGIZEMGKRILFR-UHFFFAOYSA-N 1 0 332.360 1.287 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000420422622 446597907 /nfs/dbraw/zinc/59/79/07/446597907.db2.gz GJZOHCRHMPIETG-PWSUYJOCSA-N 1 0 327.406 1.488 20 5 EDBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000411565494 446603791 /nfs/dbraw/zinc/60/37/91/446603791.db2.gz FLXAJGTYQVCRCR-BXUZGUMPSA-N 1 0 334.376 1.509 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000420434938 446608262 /nfs/dbraw/zinc/60/82/62/446608262.db2.gz RSQRPQIRCSKTHS-NEPJUHHUSA-N 1 0 327.406 1.630 20 5 EDBDRO COc1ccc(NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000423719385 446657595 /nfs/dbraw/zinc/65/75/95/446657595.db2.gz FIHTZUHOEVSJDX-GFCCVEGCSA-N 1 0 345.359 1.977 20 5 EDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000423719364 446658280 /nfs/dbraw/zinc/65/82/80/446658280.db2.gz FHTQSRNLUFANML-LQJRIPTKSA-N 1 0 329.360 2.330 20 5 EDBDRO O=C(NCCC1=CC[NH2+]CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418637296 446626458 /nfs/dbraw/zinc/62/64/58/446626458.db2.gz JWYBSQIEKAMFAF-UHFFFAOYSA-N 1 0 346.387 1.677 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCC[NH2+]C2CC2)c1C ZINC000420452989 446628721 /nfs/dbraw/zinc/62/87/21/446628721.db2.gz TXTRWYUDXBXUDX-UHFFFAOYSA-N 1 0 327.406 1.632 20 5 EDBDRO CN(C(=O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000375279008 446690376 /nfs/dbraw/zinc/69/03/76/446690376.db2.gz DPNMXMFUPBZXPE-WMLDXEAASA-N 1 0 346.387 1.204 20 5 EDBDRO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418780471 446698987 /nfs/dbraw/zinc/69/89/87/446698987.db2.gz KNYLZLASAZGUBV-LLVKDONJSA-N 1 0 336.392 1.406 20 5 EDBDRO C[C@@H](NC(=O)N1C[C@H]2OCCN(C)[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000368196649 446701451 /nfs/dbraw/zinc/70/14/51/446701451.db2.gz VHZGHCVXSLUTCS-BYCMXARLSA-N 1 0 334.376 1.380 20 5 EDBDRO CC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000411910898 446721141 /nfs/dbraw/zinc/72/11/41/446721141.db2.gz HDBKMXMNIFHOTJ-LBPRGKRZSA-N 1 0 334.376 1.361 20 5 EDBDRO CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](C[NH3+])C1CC1 ZINC000423940385 446790147 /nfs/dbraw/zinc/79/01/47/446790147.db2.gz ALEXIAKRMOKPNL-HNNXBMFYSA-N 1 0 329.360 1.590 20 5 EDBDRO Cc1c(C(=O)NC(C)(C)CC[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000424043230 446829770 /nfs/dbraw/zinc/82/97/70/446829770.db2.gz BLWACHLQPBFGME-UHFFFAOYSA-N 1 0 332.364 1.341 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000371545724 446925855 /nfs/dbraw/zinc/92/58/55/446925855.db2.gz JDFOTTPWIUZTII-UKRRQHHQSA-N 1 0 347.371 1.339 20 5 EDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000375636462 446941594 /nfs/dbraw/zinc/94/15/94/446941594.db2.gz MQTIWDNMOZJAKL-QWHCGFSZSA-N 1 0 339.417 1.842 20 5 EDBDRO Cc1ccc(N2CCN(C[C@@H]3CN(C)CCO3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000371826774 446967068 /nfs/dbraw/zinc/96/70/68/446967068.db2.gz MRCXLLPFDRAFDY-CVEARBPZSA-N 1 0 348.447 1.744 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](O)CC12CCC2 ZINC000420991797 446968364 /nfs/dbraw/zinc/96/83/64/446968364.db2.gz JIJYDVUESOKKJW-ZDUSSCGKSA-N 1 0 349.387 1.921 20 5 EDBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413114691 447010295 /nfs/dbraw/zinc/01/02/95/447010295.db2.gz MVHBGPFDFZQALQ-JTQLQIEISA-N 1 0 325.344 1.128 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425215777 447067764 /nfs/dbraw/zinc/06/77/64/447067764.db2.gz OJRCEMLHTSWKJW-WCQYABFASA-N 1 0 325.390 1.310 20 5 EDBDRO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000444396511 447101967 /nfs/dbraw/zinc/10/19/67/447101967.db2.gz YYKIDALHYZFLPG-LLVKDONJSA-N 1 0 336.392 1.094 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000375831075 447087726 /nfs/dbraw/zinc/08/77/26/447087726.db2.gz MIDAXZPHKRTLJH-ZBFHGGJFSA-N 1 0 332.404 1.873 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000372507872 447096243 /nfs/dbraw/zinc/09/62/43/447096243.db2.gz STIGOYOFGLVXLS-CQSZACIVSA-N 1 0 335.408 1.658 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[N@H+](CC(C)(C)O)CC1 ZINC000372558746 447140577 /nfs/dbraw/zinc/14/05/77/447140577.db2.gz VMEPRXGWVFIPNQ-UHFFFAOYSA-N 1 0 337.420 1.882 20 5 EDBDRO C[NH+]1CCC(CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000445039652 447161247 /nfs/dbraw/zinc/16/12/47/447161247.db2.gz XXGSVOPCLNNUSJ-UHFFFAOYSA-N 1 0 346.391 1.612 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000375966344 447179641 /nfs/dbraw/zinc/17/96/41/447179641.db2.gz YXCSISFKZHLCJG-INIZCTEOSA-N 1 0 326.356 1.794 20 5 EDBDRO C[C@H](O)C[N@H+](C)C1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000447685351 447287099 /nfs/dbraw/zinc/28/70/99/447287099.db2.gz KLRKTAPCNGKUOR-NSHDSACASA-N 1 0 333.392 1.753 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCc3nnnn3CC2)n1 ZINC000421875491 447266090 /nfs/dbraw/zinc/26/60/90/447266090.db2.gz JXOSBXADQHJJKK-JHJVBQTASA-N 1 0 346.395 1.256 20 5 EDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415518999 447492952 /nfs/dbraw/zinc/49/29/52/447492952.db2.gz JEYTUTBAVMMNEX-IUCAKERBSA-N 1 0 340.767 1.382 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000426976705 447523918 /nfs/dbraw/zinc/52/39/18/447523918.db2.gz YLDCZYXZJNUXNR-STQMWFEESA-N 1 0 338.412 1.306 20 5 EDBDRO C[C@H]1NC(=O)N(CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1=O ZINC000459352033 447643743 /nfs/dbraw/zinc/64/37/43/447643743.db2.gz RIKBHYPNNSRIEA-LLVKDONJSA-N 1 0 332.360 1.500 20 5 EDBDRO COC(=O)CC1([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000459389938 447648768 /nfs/dbraw/zinc/64/87/68/447648768.db2.gz OGGHIMMCMQEIGP-LBPRGKRZSA-N 1 0 338.360 1.410 20 5 EDBDRO C[C@@H]1C[C@H](C[NH3+])CN1c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000420223209 447677830 /nfs/dbraw/zinc/67/78/30/447677830.db2.gz ZPKPIVSHZBPBPN-UKRRQHHQSA-N 1 0 334.420 1.601 20 5 EDBDRO CON1CCC([N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000459580020 447712219 /nfs/dbraw/zinc/71/22/19/447712219.db2.gz LFYMCMODNPWUNX-UHFFFAOYSA-N 1 0 336.392 1.799 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422710239 447723337 /nfs/dbraw/zinc/72/33/37/447723337.db2.gz FKZBVHFIWGUQQM-ARFHVFGLSA-N 1 0 335.404 1.850 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000459708428 447746620 /nfs/dbraw/zinc/74/66/20/447746620.db2.gz JZPXMDQQULZXSS-UHFFFAOYSA-N 1 0 335.404 1.566 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000422847383 447768920 /nfs/dbraw/zinc/76/89/20/447768920.db2.gz RIUZIIUWMMIHLE-YGRLFVJLSA-N 1 0 335.360 1.581 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000530768678 447952745 /nfs/dbraw/zinc/95/27/45/447952745.db2.gz HIIJRGRLEMJIRM-ZDUSSCGKSA-N 1 0 335.408 1.648 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCCOc3ccccc32)c1 ZINC000576148969 447983417 /nfs/dbraw/zinc/98/34/17/447983417.db2.gz CGPHIRNUBKTVJS-UKRRQHHQSA-N 1 0 332.360 1.656 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CO)CC2CCCCC2)c1 ZINC000571446371 448156191 /nfs/dbraw/zinc/15/61/91/448156191.db2.gz SDVGUYZMEKWBOU-UKRRQHHQSA-N 1 0 326.397 1.073 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1ccccc1 ZINC000558688403 448201916 /nfs/dbraw/zinc/20/19/16/448201916.db2.gz ITDDJJXUUMMOEH-ZDUSSCGKSA-N 1 0 329.360 1.605 20 5 EDBDRO C[N@@H+]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1(C)C ZINC000514946944 448232004 /nfs/dbraw/zinc/23/20/04/448232004.db2.gz MTJATUFSTKSJDP-UHFFFAOYSA-N 1 0 348.403 1.919 20 5 EDBDRO O=C(CC[NH2+][C@H](CO)Cc1cccnc1)Nc1ccccc1[N+](=O)[O-] ZINC000515059902 448252089 /nfs/dbraw/zinc/25/20/89/448252089.db2.gz GNQGHKFRAGWBDE-AWEZNQCLSA-N 1 0 344.371 1.512 20 5 EDBDRO COC(=O)COc1ccc(CNC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591275609 448304281 /nfs/dbraw/zinc/30/42/81/448304281.db2.gz JMKASKJYODOPCF-ZDUSSCGKSA-N 1 0 337.376 1.378 20 5 EDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000591360426 448344330 /nfs/dbraw/zinc/34/43/30/448344330.db2.gz UAICSRHSWSODCB-QWHCGFSZSA-N 1 0 348.407 1.091 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@H]4CC[NH2+][C@H]4C3)n2)cc1 ZINC000591448200 448367235 /nfs/dbraw/zinc/36/72/35/448367235.db2.gz HFHAABNBVDXMJI-FZMZJTMJSA-N 1 0 329.360 1.829 20 5 EDBDRO CN1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000591352729 448336521 /nfs/dbraw/zinc/33/65/21/448336521.db2.gz AANHUZLJEMJGKM-INIZCTEOSA-N 1 0 349.435 1.202 20 5 EDBDRO Cn1cncc1CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000572658647 448432680 /nfs/dbraw/zinc/43/26/80/448432680.db2.gz BJBLTEAAWRFHFT-ZDUSSCGKSA-N 1 0 330.392 1.842 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCN(C3CCCC3)C2)c1 ZINC000591734001 448476263 /nfs/dbraw/zinc/47/62/63/448476263.db2.gz UHSWPXXFQVXFDX-PBHICJAKSA-N 1 0 349.431 1.941 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)c1 ZINC000591754299 448481464 /nfs/dbraw/zinc/48/14/64/448481464.db2.gz IJKCDYWXLPAJGC-DZUCGIPZSA-N 1 0 336.388 1.882 20 5 EDBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000566440990 448472442 /nfs/dbraw/zinc/47/24/42/448472442.db2.gz YCWAKXBJJHQWQH-LBPRGKRZSA-N 1 0 335.408 1.670 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCOC[C@H]2C2CCC2)c1 ZINC000567499424 448704501 /nfs/dbraw/zinc/70/45/01/448704501.db2.gz ZOWFNJCNUBCCEZ-RDJZCZTQSA-N 1 0 336.388 1.835 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C3CCS(=O)(=O)CC3)c2c1 ZINC000573653798 448677836 /nfs/dbraw/zinc/67/78/36/448677836.db2.gz FFDOWMICHAVEJP-UHFFFAOYSA-N 1 0 337.401 1.785 20 5 EDBDRO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[NH2+]1 ZINC000592246395 448761683 /nfs/dbraw/zinc/76/16/83/448761683.db2.gz MGXOYTDCZCFFJR-CYBMUJFWSA-N 1 0 335.360 1.436 20 5 EDBDRO COc1ccc(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000519643275 448809278 /nfs/dbraw/zinc/80/92/78/448809278.db2.gz IKHUJRJLRMDWOH-ZDUSSCGKSA-N 1 0 349.387 1.431 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000592372545 448810493 /nfs/dbraw/zinc/81/04/93/448810493.db2.gz JMLMQFCVGNBNAC-AWEZNQCLSA-N 1 0 345.421 1.645 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000592307342 448784340 /nfs/dbraw/zinc/78/43/40/448784340.db2.gz FVPPIMDKPXHDKT-QPUJVOFHSA-N 1 0 347.293 1.802 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCO1 ZINC000592306817 448784548 /nfs/dbraw/zinc/78/45/48/448784548.db2.gz FGAAVVOGNCDLEU-YGRLFVJLSA-N 1 0 330.344 1.331 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC[C@@H]1[NH3+] ZINC000592382022 448814854 /nfs/dbraw/zinc/81/48/54/448814854.db2.gz FPRMEPMNXMHBDX-OCCSQVGLSA-N 1 0 341.433 1.960 20 5 EDBDRO COc1cc(CN2CCO[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000592428705 448831518 /nfs/dbraw/zinc/83/15/18/448831518.db2.gz OMMHFXCVIDKUNB-BONVTDFDSA-N 1 0 325.365 1.160 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](CNc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1 ZINC000587528670 448838501 /nfs/dbraw/zinc/83/85/01/448838501.db2.gz BXJRUQDTUBEQIY-LBPRGKRZSA-N 1 0 347.419 1.927 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000588858208 448940462 /nfs/dbraw/zinc/94/04/62/448940462.db2.gz YEDCSMHMJDNUOL-UHFFFAOYSA-N 1 0 332.408 1.833 20 5 EDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CO)C[NH+](C)C ZINC000588866517 448942669 /nfs/dbraw/zinc/94/26/69/448942669.db2.gz KREQTGXWDPKHAS-QWRGUYRKSA-N 1 0 327.406 1.114 20 5 EDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595608385 449076589 /nfs/dbraw/zinc/07/65/89/449076589.db2.gz OSLPOOWMFRFMGS-QWHCGFSZSA-N 1 0 344.375 1.535 20 5 EDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595609283 449078752 /nfs/dbraw/zinc/07/87/52/449078752.db2.gz XQMAKJPKQIJKAX-STQMWFEESA-N 1 0 344.375 1.535 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000589930209 449083769 /nfs/dbraw/zinc/08/37/69/449083769.db2.gz UNWPBXOBDYRRAV-OCCSQVGLSA-N 1 0 325.390 1.061 20 5 EDBDRO C[NH+](C)Cc1cccc(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])c1 ZINC000548410518 449038292 /nfs/dbraw/zinc/03/82/92/449038292.db2.gz LPHGXZCALUWSAG-UHFFFAOYSA-N 1 0 329.360 1.564 20 5 EDBDRO C[C@@H](C(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000582222981 449039996 /nfs/dbraw/zinc/03/99/96/449039996.db2.gz OKACSMHVLMQVFM-HIFRSBDPSA-N 1 0 335.404 1.661 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)[C@H]2C1 ZINC000590010541 449095135 /nfs/dbraw/zinc/09/51/35/449095135.db2.gz ODDXCBCXJMXGFA-OCCSQVGLSA-N 1 0 329.360 1.781 20 5 EDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593596274 449097238 /nfs/dbraw/zinc/09/72/38/449097238.db2.gz ZVGPVCXEPHCPOJ-YPMHNXCESA-N 1 0 340.405 1.237 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593604573 449103788 /nfs/dbraw/zinc/10/37/88/449103788.db2.gz BEOZWKPKQGERIU-LBPRGKRZSA-N 1 0 328.394 1.093 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](CO)C2CCOCC2)c1 ZINC000593022718 449106088 /nfs/dbraw/zinc/10/60/88/449106088.db2.gz JAYJFFZHHUCJKK-CQSZACIVSA-N 1 0 338.360 1.259 20 5 EDBDRO C[C@H]1CC[C@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[NH2+]1 ZINC000599920277 449109142 /nfs/dbraw/zinc/10/91/42/449109142.db2.gz ZYKXNBJNLGSPHX-UWVGGRQHSA-N 1 0 332.364 1.411 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1 ZINC000593034133 449109490 /nfs/dbraw/zinc/10/94/90/449109490.db2.gz IZGYTRFLQWNBQT-GUTXKFCHSA-N 1 0 334.372 1.974 20 5 EDBDRO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000599927781 449111868 /nfs/dbraw/zinc/11/18/68/449111868.db2.gz HBBYEQWKESCQFN-HNNXBMFYSA-N 1 0 346.387 1.652 20 5 EDBDRO C[C@H]1CC[C@@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C[NH2+]1 ZINC000599932522 449113363 /nfs/dbraw/zinc/11/33/63/449113363.db2.gz ACENEZLXCGOOKH-NWDGAFQWSA-N 1 0 334.376 1.508 20 5 EDBDRO CCOc1ccc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000599939583 449118313 /nfs/dbraw/zinc/11/83/13/449118313.db2.gz XPIFLYYMPVVVIP-UONOGXRCSA-N 1 0 349.387 1.275 20 5 EDBDRO CN(C(=O)CN1C[C@]2(C)COC[C@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595689571 449121123 /nfs/dbraw/zinc/12/11/23/449121123.db2.gz RWAUCQJQKIIAJK-CALCHBBNSA-N 1 0 333.388 1.916 20 5 EDBDRO CCO[C@@H]1CN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593703867 449153350 /nfs/dbraw/zinc/15/33/50/449153350.db2.gz QQRXTLOQTYYVHB-NJZAAPMLSA-N 1 0 336.392 1.661 20 5 EDBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000597943143 449153610 /nfs/dbraw/zinc/15/36/10/449153610.db2.gz VKCJWJNQLIOTSC-LBPRGKRZSA-N 1 0 337.424 1.179 20 5 EDBDRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000595770834 449157382 /nfs/dbraw/zinc/15/73/82/449157382.db2.gz NSRNNXXQDGVWTD-GDBMZVCRSA-N 1 0 345.403 1.491 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](C)CCO ZINC000593108126 449138377 /nfs/dbraw/zinc/13/83/77/449138377.db2.gz UAKLTXCXKSIIHG-LLVKDONJSA-N 1 0 325.365 1.635 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1 ZINC000599988783 449139480 /nfs/dbraw/zinc/13/94/80/449139480.db2.gz LZHMRBWCUSKSGI-LAQFHYBYSA-N 1 0 333.388 1.691 20 5 EDBDRO O=C1CC[C@@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1 ZINC000595737279 449139846 /nfs/dbraw/zinc/13/98/46/449139846.db2.gz HSVSRFBOOUFDFP-CZUORRHYSA-N 1 0 333.388 1.964 20 5 EDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC[C@]2(O)CCOC2)c1 ZINC000593671354 449141650 /nfs/dbraw/zinc/14/16/50/449141650.db2.gz QUXNQQFPKJIFLI-AWEZNQCLSA-N 1 0 332.303 1.827 20 5 EDBDRO COc1cc(C[NH2+]CC[C@]2(O)CCOC2)c([N+](=O)[O-])cc1OC ZINC000593671818 449142411 /nfs/dbraw/zinc/14/24/11/449142411.db2.gz UOZAKGFLROJURK-HNNXBMFYSA-N 1 0 326.349 1.243 20 5 EDBDRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000590401482 449148541 /nfs/dbraw/zinc/14/85/41/449148541.db2.gz KYHXBNGAPJMXKC-JKSUJKDBSA-N 1 0 333.388 1.459 20 5 EDBDRO C[C@@]12COC[C@H]1C[N@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000595755402 449149490 /nfs/dbraw/zinc/14/94/90/449149490.db2.gz ADKPVEBKJCBJPD-SJKOYZFVSA-N 1 0 347.371 1.861 20 5 EDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590402610 449149576 /nfs/dbraw/zinc/14/95/76/449149576.db2.gz BAKKMSLOVKABRJ-ZYHUDNBSSA-N 1 0 335.360 1.531 20 5 EDBDRO CCO[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C[NH3+] ZINC000593737315 449172559 /nfs/dbraw/zinc/17/25/59/449172559.db2.gz VENMJTXPFCZDEA-TZMCWYRMSA-N 1 0 347.375 1.440 20 5 EDBDRO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3nn(C)cc3[N+](=O)[O-])C2)cc1 ZINC000601879441 449202403 /nfs/dbraw/zinc/20/24/03/449202403.db2.gz IHVFRPQLTXWXQV-AWEZNQCLSA-N 1 0 343.387 1.641 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000590589914 449204504 /nfs/dbraw/zinc/20/45/04/449204504.db2.gz STGFCSZPUZGKAJ-YPMHNXCESA-N 1 0 327.406 1.616 20 5 EDBDRO COCC1([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000590599614 449212974 /nfs/dbraw/zinc/21/29/74/449212974.db2.gz CVQVPYATEVLSKA-CYBMUJFWSA-N 1 0 340.376 1.120 20 5 EDBDRO Cc1c(C(=O)NCC[C@H](C)[NH+](C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000598000467 449186415 /nfs/dbraw/zinc/18/64/15/449186415.db2.gz UZZQWDQANHQRQR-NSHDSACASA-N 1 0 346.391 1.554 20 5 EDBDRO Cc1c(C(=O)N[C@@H]2CCC[N@@H+](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000604198955 449190712 /nfs/dbraw/zinc/19/07/12/449190712.db2.gz MTKFHHWMGZTBIE-GFCCVEGCSA-N 1 0 344.375 1.308 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000590566407 449193534 /nfs/dbraw/zinc/19/35/34/449193534.db2.gz HCEZHPMKBKBJRC-SWLSCSKDSA-N 1 0 348.403 1.184 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000593899539 449272176 /nfs/dbraw/zinc/27/21/76/449272176.db2.gz BJXLNCCNIYLXCU-OAHLLOKOSA-N 1 0 343.387 1.711 20 5 EDBDRO C[C@@]1(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000593878754 449257449 /nfs/dbraw/zinc/25/74/49/449257449.db2.gz KUOCSWCOKUZOCU-MRXNPFEDSA-N 1 0 329.360 1.712 20 5 EDBDRO CN(CC1C[NH+](C)C1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000598163058 449267777 /nfs/dbraw/zinc/26/77/77/449267777.db2.gz MQCTXRHGURYEKF-UHFFFAOYSA-N 1 0 342.193 1.991 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@@H](C)[C@H](C)[NH3+])c1 ZINC000593906726 449277503 /nfs/dbraw/zinc/27/75/03/449277503.db2.gz RZNCGZZMKATGDK-RYUDHWBXSA-N 1 0 331.376 1.614 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000602018996 449278380 /nfs/dbraw/zinc/27/83/80/449278380.db2.gz DCGFUJOABMQQRB-UHFFFAOYSA-N 1 0 330.388 1.105 20 5 EDBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000593913225 449281271 /nfs/dbraw/zinc/28/12/71/449281271.db2.gz TZHOKNHJYXWWSB-ZMSDIMECSA-N 1 0 347.415 1.882 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593912760 449281280 /nfs/dbraw/zinc/28/12/80/449281280.db2.gz PBXCPXIWVJMDPE-YWPYICTPSA-N 1 0 336.392 1.292 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000593918030 449284287 /nfs/dbraw/zinc/28/42/87/449284287.db2.gz AABGQEKVYDYIML-APHBMKBZSA-N 1 0 348.403 1.799 20 5 EDBDRO Cc1c(C[NH3+])c(NC(=O)CCNc2ccccc2[N+](=O)[O-])nn1C ZINC000595962850 449284500 /nfs/dbraw/zinc/28/45/00/449284500.db2.gz VRPGBLYKHZYDSZ-UHFFFAOYSA-N 1 0 332.364 1.536 20 5 EDBDRO CN1CC[NH+](CC2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC000596088370 449357291 /nfs/dbraw/zinc/35/72/91/449357291.db2.gz PMSCJKRRUBDWJH-UHFFFAOYSA-N 1 0 335.408 1.159 20 5 EDBDRO C[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000596181115 449401190 /nfs/dbraw/zinc/40/11/90/449401190.db2.gz WVUQHKASCZUTFS-GXTWGEPZSA-N 1 0 334.424 1.034 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598510244 449434553 /nfs/dbraw/zinc/43/45/53/449434553.db2.gz OUPOGCWCVZILSA-CQSZACIVSA-N 1 0 329.360 1.182 20 5 EDBDRO C[N@H+](CCCO)C1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611706535 449389190 /nfs/dbraw/zinc/38/91/90/449389190.db2.gz KIFUNLKTXCFBRF-UHFFFAOYSA-N 1 0 345.403 1.821 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCC1CC[NH+](CC2CC2)CC1 ZINC000598537598 449453401 /nfs/dbraw/zinc/45/34/01/449453401.db2.gz IZENTNDMYYGWLL-UHFFFAOYSA-N 1 0 335.408 1.420 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000596307886 449467380 /nfs/dbraw/zinc/46/73/80/449467380.db2.gz QDITVFHNAGIWPX-JTQLQIEISA-N 1 0 342.421 1.527 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1CNCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000600680964 449487893 /nfs/dbraw/zinc/48/78/93/449487893.db2.gz WDRIERHZHKXDIV-HNNXBMFYSA-N 1 0 346.391 1.409 20 5 EDBDRO O=[N+]([O-])c1ccccc1/C=C/CNCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000600681210 449488119 /nfs/dbraw/zinc/48/81/19/449488119.db2.gz XQTBGOVKBOFBCS-SJDLMVEWSA-N 1 0 328.376 1.524 20 5 EDBDRO [NH3+]C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000594450524 449526843 /nfs/dbraw/zinc/52/68/43/449526843.db2.gz AOGWBBKUOTZOEH-SECBINFHSA-N 1 0 325.674 1.797 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600740811 449527076 /nfs/dbraw/zinc/52/70/76/449527076.db2.gz CEMBLSQTFLJWJQ-CALCHBBNSA-N 1 0 332.404 1.773 20 5 EDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cnn(-c3ccc([N+](=O)[O-])cc3)c1)C2 ZINC000598667174 449528731 /nfs/dbraw/zinc/52/87/31/449528731.db2.gz FAQSIIRQDSWERK-GUYCJALGSA-N 1 0 341.371 1.734 20 5 EDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1ccc(-n3ccnc3)c([N+](=O)[O-])c1)C2 ZINC000598667841 449529754 /nfs/dbraw/zinc/52/97/54/449529754.db2.gz MZOXDEDNOHZGRD-GUYCJALGSA-N 1 0 341.371 1.734 20 5 EDBDRO Cc1cccc2c1C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CO2 ZINC000600747357 449530697 /nfs/dbraw/zinc/53/06/97/449530697.db2.gz LDXIJNYHRBCEDI-JSGCOSHPSA-N 1 0 332.360 1.054 20 5 EDBDRO O=C(Nc1ccc(-c2ccc([N+](=O)[O-])nc2)cn1)[C@H]1CCC[NH2+]C1 ZINC000600788514 449547005 /nfs/dbraw/zinc/54/70/05/449547005.db2.gz KZUUCOHUYMBWMO-ZDUSSCGKSA-N 1 0 327.344 1.990 20 5 EDBDRO CN(CCC[NH+](C)C)CCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000596425162 449496241 /nfs/dbraw/zinc/49/62/41/449496241.db2.gz NSDHJZAXFZKVEF-UHFFFAOYSA-N 1 0 331.420 2.438 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598618120 449496426 /nfs/dbraw/zinc/49/64/26/449496426.db2.gz LRYHTWYPYPZRIS-CYBMUJFWSA-N 1 0 341.433 1.830 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594405590 449497246 /nfs/dbraw/zinc/49/72/46/449497246.db2.gz XYMJEXYKGFRXHA-SLEUVZQESA-N 1 0 348.403 1.170 20 5 EDBDRO NC(=O)c1ccnc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596558066 449551896 /nfs/dbraw/zinc/55/18/96/449551896.db2.gz MIRWBBREQSAVLA-ZDUSSCGKSA-N 1 0 341.371 1.775 20 5 EDBDRO CN(CC1C[NH+](C)C1)c1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000596454838 449511010 /nfs/dbraw/zinc/51/10/10/449511010.db2.gz VNUNKFKXNGNWFR-UHFFFAOYSA-N 1 0 338.383 1.568 20 5 EDBDRO CC(C)[C@@H]1C[NH2+]CCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000600714478 449512532 /nfs/dbraw/zinc/51/25/32/449512532.db2.gz SEUDQDNSRAUQNW-HNNXBMFYSA-N 1 0 348.403 1.823 20 5 EDBDRO O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000594441225 449519841 /nfs/dbraw/zinc/51/98/41/449519841.db2.gz OYZZIXJZXALUKU-FUHWJXTLSA-N 1 0 344.415 1.633 20 5 EDBDRO CCN(CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])S(C)(=O)=O ZINC000594504525 449558484 /nfs/dbraw/zinc/55/84/84/449558484.db2.gz OMYOFWAVQMVGKX-CQSZACIVSA-N 1 0 341.433 1.843 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598722604 449562767 /nfs/dbraw/zinc/56/27/67/449562767.db2.gz BUILYJFDZJQTHR-SWLSCSKDSA-N 1 0 339.417 1.659 20 5 EDBDRO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000598780007 449596990 /nfs/dbraw/zinc/59/69/90/449596990.db2.gz NBYZJNKWHPACJJ-ZDUSSCGKSA-N 1 0 342.355 1.700 20 5 EDBDRO CC(C)(C[NH3+])Cn1cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)nn1 ZINC000594651576 449607154 /nfs/dbraw/zinc/60/71/54/449607154.db2.gz CYFMLTOJNWFMRT-UHFFFAOYSA-N 1 0 347.379 1.493 20 5 EDBDRO C[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)C[NH+]1CCN(C)CC1 ZINC000602542080 449662571 /nfs/dbraw/zinc/66/25/71/449662571.db2.gz SJVKPWPLJXQWJJ-ZDUSSCGKSA-N 1 0 347.419 1.709 20 5 EDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000602558539 449673693 /nfs/dbraw/zinc/67/36/93/449673693.db2.gz RUUKUQJFEPVOFT-QWRGUYRKSA-N 1 0 325.390 1.180 20 5 EDBDRO C[C@@H](CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000598895907 449634722 /nfs/dbraw/zinc/63/47/22/449634722.db2.gz ARVXHMWWEBFVGD-NSHDSACASA-N 1 0 349.391 1.315 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NCC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000594820332 449728277 /nfs/dbraw/zinc/72/82/77/449728277.db2.gz BQXQRJJQJNGXLY-LBPRGKRZSA-N 1 0 329.422 1.830 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000599102419 449734599 /nfs/dbraw/zinc/73/45/99/449734599.db2.gz LVYMKGUORBQCOP-AWEZNQCLSA-N 1 0 327.406 1.522 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000599104753 449736578 /nfs/dbraw/zinc/73/65/78/449736578.db2.gz XGENYKBBDAMTOL-VHSXEESVSA-N 1 0 333.797 1.667 20 5 EDBDRO O=[N+]([O-])c1cnc(NC[C@H]2CN(Cc3ccncc3)CCO2)c(F)c1 ZINC000599184591 449784786 /nfs/dbraw/zinc/78/47/86/449784786.db2.gz IWJJSYUXBFPOMK-AWEZNQCLSA-N 1 0 347.350 1.837 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599108035 449740218 /nfs/dbraw/zinc/74/02/18/449740218.db2.gz PRQPATCWSWDVGU-ZDUSSCGKSA-N 1 0 325.390 1.466 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599127114 449751533 /nfs/dbraw/zinc/75/15/33/449751533.db2.gz OFKNDJMNMGKZMM-GFCCVEGCSA-N 1 0 333.392 1.908 20 5 EDBDRO CS(=O)(=O)CC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602695052 449754955 /nfs/dbraw/zinc/75/49/55/449754955.db2.gz VYJCXHWDMACZOH-UHFFFAOYSA-N 1 0 326.418 1.942 20 5 EDBDRO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H]3CCc4ncnn43)CC2)c1 ZINC000602763057 449788724 /nfs/dbraw/zinc/78/87/24/449788724.db2.gz LZXKJVANQFYLAV-HNNXBMFYSA-N 1 0 328.376 1.496 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000602782499 449805074 /nfs/dbraw/zinc/80/50/74/449805074.db2.gz CHBMXYCJWKXOOY-LBPRGKRZSA-N 1 0 336.314 1.735 20 5 EDBDRO CCC[NH+](CCC)CCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599236271 449821467 /nfs/dbraw/zinc/82/14/67/449821467.db2.gz UCSGXLGLJZDOPO-UHFFFAOYSA-N 1 0 347.441 1.119 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C[S@](C)=O)c1ccccc1 ZINC000602804498 449821933 /nfs/dbraw/zinc/82/19/33/449821933.db2.gz HLWRXPZKBVOMEV-PSLXWICFSA-N 1 0 336.417 1.809 20 5 EDBDRO O=C(CN[C@]12CCC[C@@H]1C[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000601328303 449837115 /nfs/dbraw/zinc/83/71/15/449837115.db2.gz KQMBDNKPZWAFPQ-DYVFJYSZSA-N 1 0 330.388 1.216 20 5 EDBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCn3c(C)ncc3[N+](=O)[O-])[C@@H]2C1 ZINC000602831842 449843493 /nfs/dbraw/zinc/84/34/93/449843493.db2.gz IXGLTVDYBVQSTQ-RRFJBIMHSA-N 1 0 335.408 1.336 20 5 EDBDRO C[NH+](C)[C@@]1(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CCSC1 ZINC000601276259 449792706 /nfs/dbraw/zinc/79/27/06/449792706.db2.gz JGXTVYUIGPFQDJ-CQSZACIVSA-N 1 0 327.381 1.901 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000595109822 449874011 /nfs/dbraw/zinc/87/40/11/449874011.db2.gz SBGOHVSDYZPSMA-QWHCGFSZSA-N 1 0 340.405 1.285 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000595119355 449879790 /nfs/dbraw/zinc/87/97/90/449879790.db2.gz HOPWOUFTMVAOSR-SECBINFHSA-N 1 0 331.419 1.609 20 5 EDBDRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000595122358 449883832 /nfs/dbraw/zinc/88/38/32/449883832.db2.gz WPOFGKJUPLZVRS-CQSZACIVSA-N 1 0 329.422 1.430 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000602878109 449886876 /nfs/dbraw/zinc/88/68/76/449886876.db2.gz VMTNTXGVJLNEEQ-KRWDZBQOSA-N 1 0 337.420 1.752 20 5 EDBDRO COc1cc(C[NH2+]CCC(=O)Nc2ccccn2)c([N+](=O)[O-])cc1O ZINC000608782106 449936120 /nfs/dbraw/zinc/93/61/20/449936120.db2.gz NJEXNZWCVRAYDJ-UHFFFAOYSA-N 1 0 346.343 1.822 20 5 EDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCC([NH+]2CC=CC2)CC1 ZINC000602955427 449956897 /nfs/dbraw/zinc/95/68/97/449956897.db2.gz ZMIQHMHWJPOKDC-UHFFFAOYSA-N 1 0 331.376 1.588 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000599413114 449957407 /nfs/dbraw/zinc/95/74/07/449957407.db2.gz SRZIBJHTQLSZMW-CYBMUJFWSA-N 1 0 341.433 1.913 20 5 EDBDRO NS(=O)(=O)c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000609101030 449959610 /nfs/dbraw/zinc/95/96/10/449959610.db2.gz FVDGIIANICVSME-UHFFFAOYSA-N 1 0 341.414 1.636 20 5 EDBDRO CC[N@@H+]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000601438630 449960196 /nfs/dbraw/zinc/96/01/96/449960196.db2.gz DFZHMFBXUJXXPZ-GFCCVEGCSA-N 1 0 327.406 1.700 20 5 EDBDRO CC(C)[N@H+](C)C[C@@H](O)CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962808 449964463 /nfs/dbraw/zinc/96/44/63/449964463.db2.gz PCWCMIWQJTVBIM-HOTGVXAUSA-N 1 0 325.409 1.093 20 5 EDBDRO CN([C@@H]1C[NH+]2CCC1CC2)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000601446009 449969373 /nfs/dbraw/zinc/96/93/73/449969373.db2.gz PTVCTPCAXTXRIG-OAHLLOKOSA-N 1 0 339.417 1.451 20 5 EDBDRO [NH3+][C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595261805 449983939 /nfs/dbraw/zinc/98/39/39/449983939.db2.gz DTDKUUAEFLYUGF-HUUCEWRRSA-N 1 0 338.383 1.998 20 5 EDBDRO C[C@@H]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000595265376 449986797 /nfs/dbraw/zinc/98/67/97/449986797.db2.gz JFBMXZAJHXICAO-OCCSQVGLSA-N 1 0 336.392 1.742 20 5 EDBDRO C[C@@H]1C[N@@H+](CCN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H](C)O1 ZINC000595286176 450001428 /nfs/dbraw/zinc/00/14/28/450001428.db2.gz DOPFRHXMLZHWPR-GASCZTMLSA-N 1 0 349.435 1.221 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000609624210 450074745 /nfs/dbraw/zinc/07/47/45/450074745.db2.gz PKTRORUBSVYWRI-UHFFFAOYSA-N 1 0 335.408 1.056 20 5 EDBDRO Cc1cc(C(=O)NCCCN2CCC[N@@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC000609623852 450073626 /nfs/dbraw/zinc/07/36/26/450073626.db2.gz DAZOUDXYZLUHBK-UHFFFAOYSA-N 1 0 334.420 1.661 20 5 EDBDRO CCOC1CC(O)(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000618198616 450053060 /nfs/dbraw/zinc/05/30/60/450053060.db2.gz UXUAEQQODSIWBV-UHFFFAOYSA-N 1 0 338.360 1.386 20 5 EDBDRO COc1cccc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000618231909 450087051 /nfs/dbraw/zinc/08/70/51/450087051.db2.gz SVQUZNKQWNVPDW-ZDUSSCGKSA-N 1 0 349.387 1.587 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)c2nccn2C)c1C ZINC000595384613 450099844 /nfs/dbraw/zinc/09/98/44/450099844.db2.gz ZIWWMSOSCJJVGU-NSHDSACASA-N 1 0 338.389 1.985 20 5 EDBDRO CNc1c(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000597574832 450119292 /nfs/dbraw/zinc/11/92/92/450119292.db2.gz SCPYFTKAXACJDA-INIZCTEOSA-N 1 0 336.392 1.165 20 5 EDBDRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000599696044 450159996 /nfs/dbraw/zinc/15/99/96/450159996.db2.gz ZTEBVJHSCFNNCX-ZDUSSCGKSA-N 1 0 341.433 1.664 20 5 EDBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000601674462 450160531 /nfs/dbraw/zinc/16/05/31/450160531.db2.gz GVKLXAOFYDMMBF-LBPRGKRZSA-N 1 0 339.367 1.917 20 5 EDBDRO O=C1[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCN1C1CCOCC1 ZINC000610480601 450236638 /nfs/dbraw/zinc/23/66/38/450236638.db2.gz DLUZWZHHJJWVAY-INIZCTEOSA-N 1 0 333.388 1.507 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCc3ncnn3C2)n1 ZINC000618571758 450249111 /nfs/dbraw/zinc/24/91/11/450249111.db2.gz WHMJJULUGMEVCS-YNEHKIRRSA-N 1 0 331.380 1.471 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)s1 ZINC000603424445 450296001 /nfs/dbraw/zinc/29/60/01/450296001.db2.gz WEHDCMNMDKVDSD-CYBMUJFWSA-N 1 0 340.449 1.865 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC000616174035 450343921 /nfs/dbraw/zinc/34/39/21/450343921.db2.gz VFKHKILIJZVJRC-UKRRQHHQSA-N 1 0 348.403 1.232 20 5 EDBDRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2)CC1 ZINC000285205697 491003768 /nfs/dbraw/zinc/00/37/68/491003768.db2.gz SZDWDIWFKAYFPK-UHFFFAOYSA-N 1 0 344.375 1.712 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cnn(C)c2C)c([N+](=O)[O-])c1 ZINC000183308663 534080539 /nfs/dbraw/zinc/08/05/39/534080539.db2.gz GKSKESINCVYCBQ-JTQLQIEISA-N 1 0 347.375 1.935 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000237246068 536453889 /nfs/dbraw/zinc/45/38/89/536453889.db2.gz RGYNPELQDVTVLE-NSHDSACASA-N 1 0 344.371 1.508 20 5 EDBDRO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000131985682 536477748 /nfs/dbraw/zinc/47/77/48/536477748.db2.gz FKZLYXGAGWFUSR-VIFPVBQESA-N 1 0 338.368 1.823 20 5 EDBDRO C[NH+](C)CCOCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000345991998 535901011 /nfs/dbraw/zinc/90/10/11/535901011.db2.gz CPQMTYYUPAUJKA-UHFFFAOYSA-N 1 0 347.375 1.089 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000353210594 536476717 /nfs/dbraw/zinc/47/67/17/536476717.db2.gz QDFHTIBNFFVYGV-YPMHNXCESA-N 1 0 338.360 1.804 20 5 EDBDRO COc1cc(C(=O)NCC2=CC[N@H+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000271881635 536893361 /nfs/dbraw/zinc/89/33/61/536893361.db2.gz CCGZPTWTWZZJHS-UHFFFAOYSA-N 1 0 335.360 1.604 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC[N@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000780867579 578280851 /nfs/dbraw/zinc/28/08/51/578280851.db2.gz QIRVSNFZVIIYIL-LBPRGKRZSA-N 1 0 327.406 1.666 20 5 EDBDRO CC(C)N1CC[NH+](C2CCN(Cn3nccc3[N+](=O)[O-])CC2)CC1 ZINC000760284870 580027067 /nfs/dbraw/zinc/02/70/67/580027067.db2.gz HFQAJVIOTBTKIZ-UHFFFAOYSA-N 1 0 336.440 1.239 20 5 EDBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000777799473 580450670 /nfs/dbraw/zinc/45/06/70/580450670.db2.gz CZMVEPCXMCUXST-VIFPVBQESA-N 1 0 333.373 1.566 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000750094804 579751794 /nfs/dbraw/zinc/75/17/94/579751794.db2.gz RECMGYCLQWBJHK-YOEHRIQHSA-N 1 0 335.404 1.282 20 5 EDBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000755203065 579922684 /nfs/dbraw/zinc/92/26/84/579922684.db2.gz RRDDXURLYFKFSZ-RKXUAZDKSA-N 1 0 345.399 1.978 20 5 EDBDRO Cn1cc([C@H](O)C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000766186922 580161216 /nfs/dbraw/zinc/16/12/16/580161216.db2.gz YWCFZTDKCYQWHK-QGZVFWFLSA-N 1 0 345.403 1.620 20 5 EDBDRO C[C@@H]1CN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000769141252 580229837 /nfs/dbraw/zinc/22/98/37/580229837.db2.gz LRNWNJSKBKKDKY-NEPJUHHUSA-N 1 0 335.360 1.337 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)OCC1CC[NH+](Cc2ccco2)CC1 ZINC000772693315 580317992 /nfs/dbraw/zinc/31/79/92/580317992.db2.gz LPGFUFYGFLOCNT-UHFFFAOYSA-N 1 0 348.359 1.840 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOCCS(C)(=O)=O ZINC000773012008 580325099 /nfs/dbraw/zinc/32/50/99/580325099.db2.gz CBJRPKBRYFPCQF-LBPRGKRZSA-N 1 0 330.406 1.615 20 5 EDBDRO COC[C@@](C)(CC(=O)OC)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591519 580423021 /nfs/dbraw/zinc/42/30/21/580423021.db2.gz OEZKDDPFVRUCGA-DZGCQCFKSA-N 1 0 326.349 1.186 20 5 EDBDRO C[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[NH+]1CCCCC1 ZINC000778638114 580469274 /nfs/dbraw/zinc/46/92/74/580469274.db2.gz SBDSEWBNZRQRPK-LLVKDONJSA-N 1 0 335.360 1.928 20 5 EDBDRO C[N@@H+]1CCCN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000781597944 580553109 /nfs/dbraw/zinc/55/31/09/580553109.db2.gz SAENRCMCNYTGDL-UHFFFAOYSA-N 1 0 336.348 1.600 20 5 EDBDRO CC1(C)CN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[NH2+]1 ZINC000782003778 580563599 /nfs/dbraw/zinc/56/35/99/580563599.db2.gz DTJKRDRXIWAYBW-UHFFFAOYSA-N 1 0 336.348 1.646 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782626136 580580970 /nfs/dbraw/zinc/58/09/70/580580970.db2.gz ZHLHKGPUHSBPSS-BZNIZROVSA-N 1 0 335.360 1.246 20 5 EDBDRO CCNS(=O)(=O)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000786812627 580679922 /nfs/dbraw/zinc/67/99/22/580679922.db2.gz IHYLPPSTALTTDW-XFXZXTDPSA-N 1 0 327.406 1.527 20 5 EDBDRO O=C1C[C@]2(CC[N@@H+](Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)C2)CN1 ZINC000788384919 580720450 /nfs/dbraw/zinc/72/04/50/580720450.db2.gz WRVARIWJORKRSB-QGZVFWFLSA-N 1 0 341.371 1.628 20 5 EDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000792876016 580829915 /nfs/dbraw/zinc/82/99/15/580829915.db2.gz KDYPCCHGSFAAEV-ZDUSSCGKSA-N 1 0 325.321 1.380 20 5 EDBDRO C[N@@H+]1CC[C@]2(CCN(Cn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)C1 ZINC000793769318 580855326 /nfs/dbraw/zinc/85/53/26/580855326.db2.gz UCZNIPGGJZMIPT-INIZCTEOSA-N 1 0 332.360 1.488 20 5 EDBDRO C[C@@]1(C(N)=O)CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000794708389 580904009 /nfs/dbraw/zinc/90/40/09/580904009.db2.gz AAHTUJZVGSUXAL-MRXNPFEDSA-N 1 0 329.360 1.613 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)[C@H]2C1 ZINC000794929992 580908473 /nfs/dbraw/zinc/90/84/73/580908473.db2.gz QMCXNUGINRQGBA-ABAIWWIYSA-N 1 0 336.367 1.698 20 5 EDBDRO O=C(OCCC[NH+]1CCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000800118331 581043619 /nfs/dbraw/zinc/04/36/19/581043619.db2.gz OAHIBEOZMQDTCH-UHFFFAOYSA-N 1 0 345.359 1.818 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000892200758 590862208 /nfs/dbraw/zinc/86/22/08/590862208.db2.gz HSDONAOUOIQBOP-SUMWQHHRSA-N 1 0 348.403 1.697 20 5 EDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892466728 591037971 /nfs/dbraw/zinc/03/79/71/591037971.db2.gz AFXNGNLAYVMASV-LBPRGKRZSA-N 1 0 345.403 1.104 20 5 EDBDRO CN1CC[NH+](CCCNc2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1 ZINC000891591035 591138973 /nfs/dbraw/zinc/13/89/73/591138973.db2.gz FISZULDBZZDOLG-UHFFFAOYSA-N 1 0 347.394 1.753 20 5 EDBDRO COc1cc(OCC(=O)N[C@]2(C)C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000892784614 591175468 /nfs/dbraw/zinc/17/54/68/591175468.db2.gz JNLQEXLLDPUYQM-QGZVFWFLSA-N 1 0 349.387 1.583 20 5 EDBDRO COCCN(CC[NH+](C)C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894460280 591318510 /nfs/dbraw/zinc/31/85/10/591318510.db2.gz VCANIPUBQASPJF-UHFFFAOYSA-N 1 0 327.381 1.319 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000896517097 591488192 /nfs/dbraw/zinc/48/81/92/591488192.db2.gz DBRCGLDMSQILDG-CQSZACIVSA-N 1 0 348.403 1.620 20 5 EDBDRO Cc1cc(N[C@@H]2CCc3nnn(C)c3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000896676585 591577532 /nfs/dbraw/zinc/57/75/32/591577532.db2.gz HTVHCMYIAVSLHW-LLVKDONJSA-N 1 0 338.371 1.971 20 5 EDBDRO C[NH+](C)CC[C@@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000895328134 591715109 /nfs/dbraw/zinc/71/51/09/591715109.db2.gz CXLBEXHTKLJKSE-GFCCVEGCSA-N 1 0 341.433 1.776 20 5 EDBDRO O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000899219524 591731208 /nfs/dbraw/zinc/73/12/08/591731208.db2.gz XIZLJSDIXFVJBU-OAHLLOKOSA-N 1 0 341.371 1.471 20 5 EDBDRO O=[N+]([O-])c1cnc(N2CC[NH2+]CCC23CCOCC3)c(Cl)c1 ZINC000900422127 592014590 /nfs/dbraw/zinc/01/45/90/592014590.db2.gz NLHSXCRKNJXLLT-UHFFFAOYSA-N 1 0 326.784 1.992 20 5 EDBDRO COCC[C@H]1C[NH2+]CCN1c1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000900438983 592018510 /nfs/dbraw/zinc/01/85/10/592018510.db2.gz KELGNFZASRUTPB-LBPRGKRZSA-N 1 0 337.376 1.505 20 5 EDBDRO C[C@@H]1[C@H](NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)CC[N@@H+]1C ZINC000900666529 592085552 /nfs/dbraw/zinc/08/55/52/592085552.db2.gz NKJYJXDQSUXCNI-MLGOLLRUSA-N 1 0 343.387 1.662 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000900810366 592132443 /nfs/dbraw/zinc/13/24/43/592132443.db2.gz HHYWLAWKNIHOQL-CABCVRRESA-N 1 0 348.447 1.884 20 5 EDBDRO C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000900811597 592133094 /nfs/dbraw/zinc/13/30/94/592133094.db2.gz MBZZECWWWJVLJY-GXFFZTMASA-N 1 0 340.811 1.612 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@]34CC[NH2+]C4)n2)cc1 ZINC000903867099 592342110 /nfs/dbraw/zinc/34/21/10/592342110.db2.gz YCGJIDSDNZRTSR-INIZCTEOSA-N 1 0 329.360 1.973 20 5 EDBDRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)C2 ZINC000903844950 592343916 /nfs/dbraw/zinc/34/39/16/592343916.db2.gz CRLAXTNGOZGDNP-WHOFXGATSA-N 1 0 330.388 1.296 20 5 EDBDRO C/C(=C/C(=O)N[C@@H](CO)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000908204655 592381525 /nfs/dbraw/zinc/38/15/25/592381525.db2.gz SGLWUBWCNGCRRT-VSKPTYQZSA-N 1 0 333.388 1.571 20 5 EDBDRO CCN1CC[C@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000905438726 592534836 /nfs/dbraw/zinc/53/48/36/592534836.db2.gz BBHQSDJSBFBPEM-ZDUSSCGKSA-N 1 0 327.406 1.052 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000905472389 592545128 /nfs/dbraw/zinc/54/51/28/592545128.db2.gz GTLBKBHQDACKOE-KGLIPLIRSA-N 1 0 336.388 1.883 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000905678353 592609545 /nfs/dbraw/zinc/60/95/45/592609545.db2.gz CVKNLFAPBNJJAJ-QGZVFWFLSA-N 1 0 332.404 1.924 20 5 EDBDRO O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)[C@@]12CC[N@H+](C1)CCC2 ZINC000911472800 592923052 /nfs/dbraw/zinc/92/30/52/592923052.db2.gz NZJROOODYUDDIY-HNNXBMFYSA-N 1 0 325.315 1.975 20 5 EDBDRO O=C(N1CCN(c2ccccc2[N+](=O)[O-])CC1)C12CCC(CC1)[NH2+]2 ZINC000912001577 593047839 /nfs/dbraw/zinc/04/78/39/593047839.db2.gz RSWGBPLRKFDVID-UHFFFAOYSA-N 1 0 330.388 1.528 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000912150001 593066028 /nfs/dbraw/zinc/06/60/28/593066028.db2.gz HTPLLUFCSUUMAE-ZYHUDNBSSA-N 1 0 327.768 1.570 20 5 EDBDRO C[NH+](C)CCCOC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000912593288 593107047 /nfs/dbraw/zinc/10/70/47/593107047.db2.gz XBNAQYLOAGIDKJ-UHFFFAOYSA-N 1 0 330.362 1.107 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCCO1 ZINC000841102373 593107800 /nfs/dbraw/zinc/10/78/00/593107800.db2.gz ARHQCOCXVLRRBZ-JTQLQIEISA-N 1 0 328.756 1.830 20 5 EDBDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000805825906 593150245 /nfs/dbraw/zinc/15/02/45/593150245.db2.gz KELLZJJEZYEKIU-GJZGRUSLSA-N 1 0 337.376 1.839 20 5 EDBDRO O=CN1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000839022505 593253478 /nfs/dbraw/zinc/25/34/78/593253478.db2.gz WTFQOWIICKATIU-UHFFFAOYSA-N 1 0 338.339 1.227 20 5 EDBDRO COC(=O)[C@@H]1CSCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839672535 593367523 /nfs/dbraw/zinc/36/75/23/593367523.db2.gz VYTUDVZCRROASH-GXTWGEPZSA-N 1 0 340.401 1.466 20 5 EDBDRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)CC1 ZINC000839719203 593373521 /nfs/dbraw/zinc/37/35/21/593373521.db2.gz ODPYIQQDBNNSAB-HZPDHXFCSA-N 1 0 332.404 1.821 20 5 EDBDRO C[N@H+](CC1CCOCC1)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840040228 593404612 /nfs/dbraw/zinc/40/46/12/593404612.db2.gz ZBMREBZNXMHVRI-QGZVFWFLSA-N 1 0 349.387 1.848 20 5 EDBDRO CN(CC[N@H+](C)C1CC1)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000804621546 593427929 /nfs/dbraw/zinc/42/79/29/593427929.db2.gz WGZCWVJMXYETSU-UHFFFAOYSA-N 1 0 333.392 1.316 20 5 EDBDRO CN(CC1([NH+](C)C)CCC1)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000804641383 593429284 /nfs/dbraw/zinc/42/92/84/593429284.db2.gz BCWYKJBCAWANMT-UHFFFAOYSA-N 1 0 347.419 1.706 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000816750996 593547480 /nfs/dbraw/zinc/54/74/80/593547480.db2.gz XPDYXPXDZOTYGA-UKRRQHHQSA-N 1 0 334.376 1.112 20 5 EDBDRO CN(C[C@@H]1CCC[N@@H+]1C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000817374244 593598045 /nfs/dbraw/zinc/59/80/45/593598045.db2.gz QTKVYAPQIBFCGU-NSHDSACASA-N 1 0 332.360 1.174 20 5 EDBDRO C[C@H]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H]1C[NH3+] ZINC000818518737 593702135 /nfs/dbraw/zinc/70/21/35/593702135.db2.gz OQVGOPWFIZADCK-NHYWBVRUSA-N 1 0 331.376 1.530 20 5 EDBDRO [NH3+]C[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000818555941 593704483 /nfs/dbraw/zinc/70/44/83/593704483.db2.gz BUBFXUHIESTWBU-OAHLLOKOSA-N 1 0 345.403 1.968 20 5 EDBDRO COC[C@]1(CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])CCC[NH2+]1 ZINC000818589774 593706066 /nfs/dbraw/zinc/70/60/66/593706066.db2.gz KKAVWCZUTXMQOI-OAHLLOKOSA-N 1 0 325.340 1.541 20 5 EDBDRO COC[C@H](C)OC[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000819150843 593741512 /nfs/dbraw/zinc/74/15/12/593741512.db2.gz SKDAMKKAXHZOGU-GXFFZTMASA-N 1 0 332.784 1.750 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCS(=O)(=O)CC2CC2)c1 ZINC000819173244 593742866 /nfs/dbraw/zinc/74/28/66/593742866.db2.gz LFOOMVJJSTYAIO-AWEZNQCLSA-N 1 0 328.390 1.043 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2COC3(CCOCC3)O2)cc1 ZINC000819215457 593744628 /nfs/dbraw/zinc/74/46/28/593744628.db2.gz HRQQWYFKWGCCTQ-HUUCEWRRSA-N 1 0 338.360 1.140 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000820307726 593808319 /nfs/dbraw/zinc/80/83/19/593808319.db2.gz BTAJUMWXIYKILC-GFCCVEGCSA-N 1 0 335.408 1.433 20 5 EDBDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000823717604 593841029 /nfs/dbraw/zinc/84/10/29/593841029.db2.gz PCOUIMISGOYJRV-LBPRGKRZSA-N 1 0 341.795 1.825 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821182016 593984847 /nfs/dbraw/zinc/98/48/47/593984847.db2.gz RTXPBIYVQIYPMY-JTQLQIEISA-N 1 0 332.368 1.090 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000824724236 594062584 /nfs/dbraw/zinc/06/25/84/594062584.db2.gz NEMWPVJVPTYPKZ-OAHLLOKOSA-N 1 0 347.415 1.883 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc(N3CC[NH2+]CC3)no2)c1 ZINC000823304457 594183018 /nfs/dbraw/zinc/18/30/18/594183018.db2.gz XEIYYGVIHLYCKH-UHFFFAOYSA-N 1 0 344.375 1.655 20 5 EDBDRO CN(C)c1cc(F)c(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000825541885 594198839 /nfs/dbraw/zinc/19/88/39/594198839.db2.gz CIQAWSNFKLHHLX-SNVBAGLBSA-N 1 0 336.367 1.766 20 5 EDBDRO COC(=O)Cc1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000827543115 594229186 /nfs/dbraw/zinc/22/91/86/594229186.db2.gz QVBOCNVSXUHAHA-CQSZACIVSA-N 1 0 333.388 1.985 20 5 EDBDRO CN1Cc2ccccc2[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000826724117 594564609 /nfs/dbraw/zinc/56/46/09/594564609.db2.gz FTGSFRDVWQLCHH-OAHLLOKOSA-N 1 0 343.387 1.829 20 5 EDBDRO CN1CC[NH+](C2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000827455515 594673888 /nfs/dbraw/zinc/67/38/88/594673888.db2.gz BTCRPQITMJQZLL-UHFFFAOYSA-N 1 0 346.431 1.376 20 5 EDBDRO CN1CC[NH+](C2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000827473307 594675550 /nfs/dbraw/zinc/67/55/50/594675550.db2.gz HVJZMSSZCDIZCF-UHFFFAOYSA-N 1 0 338.433 1.508 20 5 EDBDRO CCO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C[NH+](C)C ZINC000831731965 594697356 /nfs/dbraw/zinc/69/73/56/594697356.db2.gz YGPNSJXYOFIQAO-LBPRGKRZSA-N 1 0 346.387 1.840 20 5 EDBDRO COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@H+](C)C1 ZINC000840956813 594832856 /nfs/dbraw/zinc/83/28/56/594832856.db2.gz FEMKAYBHEWVHSM-LBPRGKRZSA-N 1 0 341.795 1.785 20 5 EDBDRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000841158879 594860192 /nfs/dbraw/zinc/86/01/92/594860192.db2.gz UMWKVXZDFUWBLD-SECBINFHSA-N 1 0 340.767 1.384 20 5 EDBDRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2c(C)c([N+](=O)[O-])ccc2F)C1 ZINC000841171840 594862635 /nfs/dbraw/zinc/86/26/35/594862635.db2.gz ZFVSTEPJEBKHFB-SNVBAGLBSA-N 1 0 338.339 1.049 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000841180878 594864664 /nfs/dbraw/zinc/86/46/64/594864664.db2.gz BHUWMAOVGFZAJD-SNVBAGLBSA-N 1 0 326.328 1.080 20 5 EDBDRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000841186525 594865444 /nfs/dbraw/zinc/86/54/44/594865444.db2.gz GRVIPUBHFRMBEO-UHFFFAOYSA-N 1 0 340.355 1.615 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841188956 594865711 /nfs/dbraw/zinc/86/57/11/594865711.db2.gz FETUHKDJSYXRMA-JTQLQIEISA-N 1 0 340.767 1.397 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000841857085 594966416 /nfs/dbraw/zinc/96/64/16/594966416.db2.gz CYWNQCPIVLSMIO-LBPRGKRZSA-N 1 0 342.783 1.507 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000837187206 595052667 /nfs/dbraw/zinc/05/26/67/595052667.db2.gz YBJGLZKVRVMBAD-HNNXBMFYSA-N 1 0 345.403 1.886 20 5 EDBDRO CC1([NH3+])CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000843375894 595093783 /nfs/dbraw/zinc/09/37/83/595093783.db2.gz OUKTXBFNBZWNQX-UHFFFAOYSA-N 1 0 326.784 2.000 20 5 EDBDRO O=C(CN1CC[C@H]2[NH2+]CC[C@@H]2C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843387127 595096769 /nfs/dbraw/zinc/09/67/69/595096769.db2.gz OUALDWDKUZFAJK-ZYHUDNBSSA-N 1 0 338.795 1.871 20 5 EDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843428257 595108614 /nfs/dbraw/zinc/10/86/14/595108614.db2.gz GSLAZHIFSBSHNV-NSHDSACASA-N 1 0 340.811 1.800 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1F ZINC000867298406 595111936 /nfs/dbraw/zinc/11/19/36/595111936.db2.gz LIWZETISNSGZNF-ZWNOBZJWSA-N 1 0 343.380 1.367 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842485801 595121282 /nfs/dbraw/zinc/12/12/82/595121282.db2.gz UTPBZAQLYJXPGP-OAHLLOKOSA-N 1 0 339.417 1.728 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@@H]4OCC[C@@H]4C3)n2)cc1 ZINC000842623155 595146876 /nfs/dbraw/zinc/14/68/76/595146876.db2.gz SRRFWLLEKOEFAN-HIFRSBDPSA-N 1 0 329.360 1.922 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000834563223 595163156 /nfs/dbraw/zinc/16/31/56/595163156.db2.gz BETISLLQEYPVAY-GPZRYRNASA-N 1 0 347.415 1.913 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+]CC2(C)C)cc([N+](=O)[O-])c1F ZINC000842730561 595183144 /nfs/dbraw/zinc/18/31/44/595183144.db2.gz PXANWKQKNHAGDV-UHFFFAOYSA-N 1 0 331.369 1.415 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC2(CC([NH3+])C2)C1 ZINC000842795094 595201657 /nfs/dbraw/zinc/20/16/57/595201657.db2.gz HUDSLSOCXAWJIV-UHFFFAOYSA-N 1 0 339.417 1.705 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC2CC3(CC([NH3+])C3)C2)c1 ZINC000842796500 595202170 /nfs/dbraw/zinc/20/21/70/595202170.db2.gz GXAVLFXEVHKQGK-UHFFFAOYSA-N 1 0 339.417 1.760 20 5 EDBDRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C2 ZINC000842796300 595202223 /nfs/dbraw/zinc/20/22/23/595202223.db2.gz CUZNELRVWMAVML-UHFFFAOYSA-N 1 0 339.417 1.327 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000842832741 595211946 /nfs/dbraw/zinc/21/19/46/595211946.db2.gz DWGQCFQTVWDUJC-GXSJLCMTSA-N 1 0 347.824 1.833 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000842846057 595214748 /nfs/dbraw/zinc/21/47/48/595214748.db2.gz HOJTUBHCKFXQEY-CYBMUJFWSA-N 1 0 347.824 1.916 20 5 EDBDRO Nc1ccc(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000834853618 595231555 /nfs/dbraw/zinc/23/15/55/595231555.db2.gz KHVGTSMSXKTGQT-LBPRGKRZSA-N 1 0 334.376 1.005 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCCc3c2cnn3CCO)cc1 ZINC000843064057 595278353 /nfs/dbraw/zinc/27/83/53/595278353.db2.gz FTELMSKPCZAUHQ-DOTOQJQBSA-N 1 0 346.387 1.484 20 5 EDBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](O)c1ccc(F)cc1 ZINC000843074339 595281323 /nfs/dbraw/zinc/28/13/23/595281323.db2.gz LUZSLPXTYKFXGP-COLVAYQJSA-N 1 0 338.339 1.003 20 5 EDBDRO Cc1ccc([C@@H](O)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000843084958 595283619 /nfs/dbraw/zinc/28/36/19/595283619.db2.gz DYDAWMVMNRMGFC-ZFWWWQNUSA-N 1 0 336.344 1.559 20 5 EDBDRO Cc1cccc([C@H](O)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000843088408 595284118 /nfs/dbraw/zinc/28/41/18/595284118.db2.gz NFSNZSCHVDHBSR-FUHWJXTLSA-N 1 0 346.383 1.966 20 5 EDBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](O)c1cccc(F)c1 ZINC000843104030 595287675 /nfs/dbraw/zinc/28/76/75/595287675.db2.gz NRVFARKNQAETEW-LKTVYLICSA-N 1 0 338.339 1.003 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](O)Cc2cccc(F)c2)c1 ZINC000843101608 595287704 /nfs/dbraw/zinc/28/77/04/595287704.db2.gz NHKYNAFDQXIJNC-IRXDYDNUSA-N 1 0 334.347 1.961 20 5 EDBDRO [NH3+]C[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C(F)(F)F ZINC000848597535 595414482 /nfs/dbraw/zinc/41/44/82/595414482.db2.gz PCSPRYYUTGFNLQ-VIFPVBQESA-N 1 0 340.689 1.937 20 5 EDBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC2CC1(C[NH3+])C2 ZINC000852756831 595529372 /nfs/dbraw/zinc/52/93/72/595529372.db2.gz WIHUNXMDODGXQW-YLTRJXTNSA-N 1 0 338.795 1.998 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000857766749 595600794 /nfs/dbraw/zinc/60/07/94/595600794.db2.gz RWIKSAKKEBFVCT-UWVGGRQHSA-N 1 0 329.303 1.823 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000857766221 595600918 /nfs/dbraw/zinc/60/09/18/595600918.db2.gz OAAYQLWNLMMYAS-ZJUUUORDSA-N 1 0 329.303 1.810 20 5 EDBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000860585024 595733283 /nfs/dbraw/zinc/73/32/83/595733283.db2.gz KWORXACXMGVWTK-JTQLQIEISA-N 1 0 328.756 1.436 20 5 EDBDRO CN(CC1C[NH+](C)C1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000855639270 595776426 /nfs/dbraw/zinc/77/64/26/595776426.db2.gz HDZDUGMEXLDJDB-UHFFFAOYSA-N 1 0 348.403 1.065 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCOCCS(C)(=O)=O ZINC000850444075 595834754 /nfs/dbraw/zinc/83/47/54/595834754.db2.gz HLKDPRYZZUDWHE-LLVKDONJSA-N 1 0 346.405 1.315 20 5 EDBDRO COc1cc(F)c([N+](=O)[O-])c(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000853966292 595936605 /nfs/dbraw/zinc/93/66/05/595936605.db2.gz SDRDWIIJIYZCKA-GFCCVEGCSA-N 1 0 339.367 1.778 20 5 EDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C[C@H]21 ZINC000861908951 596146033 /nfs/dbraw/zinc/14/60/33/596146033.db2.gz YZPCZSRMXPKITR-QLPKVWCKSA-N 1 0 344.415 1.827 20 5 EDBDRO O=C(CC[N@@H+]1CC[C@H](N2CCOC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000852434305 596159216 /nfs/dbraw/zinc/15/92/16/596159216.db2.gz FMVLCXSSGLQLPN-LBPRGKRZSA-N 1 0 348.359 1.450 20 5 EDBDRO O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000852435313 596160514 /nfs/dbraw/zinc/16/05/14/596160514.db2.gz LWLYBYQRNPCQDA-NSHDSACASA-N 1 0 334.332 1.060 20 5 EDBDRO Cc1ccc([C@H](C)[NH2+]C[C@]23COCCN2C(=O)COC3)cc1[N+](=O)[O-] ZINC000866555044 596249366 /nfs/dbraw/zinc/24/93/66/596249366.db2.gz KIVKWMQCBIBOLS-SUMWQHHRSA-N 1 0 349.387 1.182 20 5 EDBDRO O=C(N1C[C@H]2CC[C@@H](C1)[NH2+]2)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000864615329 596284548 /nfs/dbraw/zinc/28/45/48/596284548.db2.gz CIFUEZYIJWRHBX-AOOOYVTPSA-N 1 0 327.287 1.529 20 5 EDBDRO NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862465253 596333984 /nfs/dbraw/zinc/33/39/84/596333984.db2.gz PDILWMLTXZAXSY-AWEZNQCLSA-N 1 0 340.811 1.678 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c1C ZINC000866831930 596371082 /nfs/dbraw/zinc/37/10/82/596371082.db2.gz VKZHGLTXXWAQGK-KGLIPLIRSA-N 1 0 339.417 1.727 20 5 EDBDRO COCC[NH+]1CCC(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000865015378 596444900 /nfs/dbraw/zinc/44/49/00/596444900.db2.gz URLXPPDPSLOQGQ-UHFFFAOYSA-N 1 0 339.367 1.503 20 5 EDBDRO C[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)CC1 ZINC000865368032 596553157 /nfs/dbraw/zinc/55/31/57/596553157.db2.gz KONNLWPEUROYJN-UHFFFAOYSA-N 1 0 344.371 1.120 20 5 EDBDRO C[NH+](C)C1CCN(CCNc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865585824 596618353 /nfs/dbraw/zinc/61/83/53/596618353.db2.gz PKVWZDVEBZXTII-UHFFFAOYSA-N 1 0 340.399 1.664 20 5 EDBDRO O=[N+]([O-])c1cc(CO)c(N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1F ZINC000865592235 596620249 /nfs/dbraw/zinc/62/02/49/596620249.db2.gz QUYUZBPZAGMBQC-LBPRGKRZSA-N 1 0 339.367 1.385 20 5 EDBDRO C[C@@H]1C[C@@H](N(C)C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000867947050 596629535 /nfs/dbraw/zinc/62/95/35/596629535.db2.gz YAERLDNEXKUQAQ-HACGYAERSA-N 1 0 334.420 1.710 20 5 EDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000865770457 596676603 /nfs/dbraw/zinc/67/66/03/596676603.db2.gz MAVGPGDDAJBOHM-FUIJVIPGSA-N 1 0 347.371 1.809 20 5 EDBDRO CC[NH+]1CCN(c2cc(N(C)S(C)(=O)=O)cc([N+](=O)[O-])c2)CC1 ZINC000872008321 596795747 /nfs/dbraw/zinc/79/57/47/596795747.db2.gz VBJSTKBPTPJGCV-UHFFFAOYSA-N 1 0 342.421 1.133 20 5 EDBDRO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000866205999 596827027 /nfs/dbraw/zinc/82/70/27/596827027.db2.gz PXHAXXKYABGXKW-DGCLKSJQSA-N 1 0 334.376 1.697 20 5 EDBDRO O=C1CC2(CCOCC2)[N@H+](CCOc2ccccc2[N+](=O)[O-])CCN1 ZINC000872289583 596869244 /nfs/dbraw/zinc/86/92/44/596869244.db2.gz NSOALJAANOXPKW-UHFFFAOYSA-N 1 0 349.387 1.345 20 5 EDBDRO COC1CC[NH+](CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000866416666 596881628 /nfs/dbraw/zinc/88/16/28/596881628.db2.gz ZBJBPEIMAGUSCU-UHFFFAOYSA-N 1 0 339.367 1.503 20 5 EDBDRO C[NH+](C)CCn1nccc1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868585484 596889471 /nfs/dbraw/zinc/88/94/71/596889471.db2.gz KDGVVSWUEXNFPX-UHFFFAOYSA-N 1 0 335.339 1.673 20 5 EDBDRO O=[N+]([O-])c1cc2c(ncnc2N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)s1 ZINC000872757407 597059738 /nfs/dbraw/zinc/05/97/38/597059738.db2.gz BJLUSDGHAJRNST-VHSXEESVSA-N 1 0 335.389 1.245 20 5 EDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000124539991 597294635 /nfs/dbraw/zinc/29/46/35/597294635.db2.gz QNOQAFUNGHHEAG-GXSJLCMTSA-N 1 0 331.369 1.530 20 5 EDBDRO O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000876732207 597311591 /nfs/dbraw/zinc/31/15/91/597311591.db2.gz ZHLUJJJXTPRGIX-SWLSCSKDSA-N 1 0 336.367 1.191 20 5 EDBDRO CCN(CC[NH3+])C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000877007618 597409826 /nfs/dbraw/zinc/40/98/26/597409826.db2.gz YKSMENUZKLPDIU-UHFFFAOYSA-N 1 0 334.145 1.917 20 5 EDBDRO O=C1[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCN1c1ccccc1 ZINC000877007360 597409900 /nfs/dbraw/zinc/40/99/00/597409900.db2.gz MUPJAQHPFSMUER-LDZOIKDWSA-N 1 0 341.371 1.890 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCN(CCN2CCOCC2)C1 ZINC000883371994 597726311 /nfs/dbraw/zinc/72/63/11/597726311.db2.gz HZOWYNVDUGDQAN-KRWDZBQOSA-N 1 0 348.447 1.481 20 5 EDBDRO O=C(CN1CC[NH2+]CCC12CCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000883457916 597756276 /nfs/dbraw/zinc/75/62/76/597756276.db2.gz ROGUASSPLBFAMY-UHFFFAOYSA-N 1 0 344.415 1.702 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+]CCC23CCC3)ccc1[N+](=O)[O-] ZINC000883478363 597766831 /nfs/dbraw/zinc/76/68/31/597766831.db2.gz GFXOZVQQEVNAPL-UHFFFAOYSA-N 1 0 339.417 1.810 20 5 EDBDRO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000882058607 597855665 /nfs/dbraw/zinc/85/56/65/597855665.db2.gz COKKSGCINQTXNO-AWEZNQCLSA-N 1 0 333.388 1.956 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000880222870 597876356 /nfs/dbraw/zinc/87/63/56/597876356.db2.gz LMUOQCQIXWPGON-WOVMCDHWSA-N 1 0 329.356 1.396 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C[C@H](C)[NH2+]1 ZINC000884030429 597972784 /nfs/dbraw/zinc/97/27/84/597972784.db2.gz NTVFNSUMFWBTNL-PHIMTYICSA-N 1 0 335.360 1.579 20 5 EDBDRO Cc1cc(S(=O)(=O)NC2CC([NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000916920622 696815814 /nfs/dbraw/zinc/81/58/14/696815814.db2.gz RCMVPAIMVNTUEJ-UHFFFAOYSA-N 1 0 331.369 1.413 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000917654270 697059398 /nfs/dbraw/zinc/05/93/98/697059398.db2.gz FCMJLKBTTWIJOY-CHWSQXEVSA-N 1 0 339.417 1.808 20 5 EDBDRO O=C(NCC1C[NH+](CC2CCC(F)(F)CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031662540 697439484 /nfs/dbraw/zinc/43/94/84/697439484.db2.gz GYXPGORTWIGJRO-CHWSQXEVSA-N 1 0 331.363 1.525 20 5 EDBDRO CCc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC000997769596 704669733 /nfs/dbraw/zinc/66/97/33/704669733.db2.gz QMOWZPSRBOOURB-ZIAGYGMSSA-N 1 0 336.392 1.230 20 5 EDBDRO O=C(N[C@H]1CC[C@H]([NH2+]CC2CC(F)(F)C2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034644176 710320129 /nfs/dbraw/zinc/32/01/29/710320129.db2.gz DINGHWILXIHNHF-FDYHWXHSSA-N 1 0 331.363 1.714 20 5 EDBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000560001181 306260405 /nfs/dbraw/zinc/26/04/05/306260405.db2.gz FBLSAOVBORWNSV-OCCSQVGLSA-N 1 0 344.375 1.559 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178100376 232082611 /nfs/dbraw/zinc/08/26/11/232082611.db2.gz CQIIKAJESJYBCB-CQSZACIVSA-N 1 0 348.403 1.187 20 5 EDBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000178692029 232383315 /nfs/dbraw/zinc/38/33/15/232383315.db2.gz CCPCYSMGAOQVGQ-QWRGUYRKSA-N 1 0 334.376 1.931 20 5 EDBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412362498 304001870 /nfs/dbraw/zinc/00/18/70/304001870.db2.gz AZMHQCQSTDEFSH-IXDOHACOSA-N 1 0 347.415 1.661 20 5 EDBDRO CC(C)OCc1ccccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000562449884 306299103 /nfs/dbraw/zinc/29/91/03/306299103.db2.gz QBVRJBJTVIKHIS-KRWDZBQOSA-N 1 0 348.403 1.867 20 5 EDBDRO Cc1ccc(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000562998676 306315298 /nfs/dbraw/zinc/31/52/98/306315298.db2.gz BDULYFLRVBMQJW-MRXNPFEDSA-N 1 0 331.372 1.870 20 5 EDBDRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(Cc1csc([N+](=O)[O-])c1)C2=O ZINC000563080995 306317925 /nfs/dbraw/zinc/31/79/25/306317925.db2.gz TYEFUIAXOBUXCV-QMTHXVAHSA-N 1 0 338.389 1.596 20 5 EDBDRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000413063060 304055076 /nfs/dbraw/zinc/05/50/76/304055076.db2.gz QWBMWZPPJSRJOK-DLBZAZTESA-N 1 0 346.431 1.404 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCCNC1=O ZINC000105610185 138301511 /nfs/dbraw/zinc/30/15/11/138301511.db2.gz GDEGOYHBTZASCE-CQSZACIVSA-N 1 0 335.360 1.562 20 5 EDBDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000125381099 138333537 /nfs/dbraw/zinc/33/35/37/138333537.db2.gz AQZQRDWDRSVFCI-CYBMUJFWSA-N 1 0 335.408 1.657 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N(C)CC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000186736358 236001545 /nfs/dbraw/zinc/00/15/45/236001545.db2.gz FRAMONZXIPORFU-UHFFFAOYSA-N 1 0 348.403 1.186 20 5 EDBDRO O=C(CC[NH2+]CC(=O)N1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000564076488 306354851 /nfs/dbraw/zinc/35/48/51/306354851.db2.gz BRZQVQQPGWQDAR-UHFFFAOYSA-N 1 0 334.376 1.526 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c([N+](=O)[O-])c1 ZINC000125221635 283375596 /nfs/dbraw/zinc/37/55/96/283375596.db2.gz DEUPIOZPWVAJCU-ZIAGYGMSSA-N 1 0 346.387 1.184 20 5 EDBDRO C[C@@H]1CCCN(C(C)(C)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000564846975 306367023 /nfs/dbraw/zinc/36/70/23/306367023.db2.gz GHFJIUZFYBYEEC-UKRRQHHQSA-N 1 0 339.440 1.252 20 5 EDBDRO C[NH2+][C@@H]1CCCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000420161951 283659975 /nfs/dbraw/zinc/65/99/75/283659975.db2.gz XFIVXQRCVCUBLZ-CQSZACIVSA-N 1 0 348.403 1.255 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066223840 201157967 /nfs/dbraw/zinc/15/79/67/201157967.db2.gz OQKNJYZMYDXPQP-AWEZNQCLSA-N 1 0 346.387 1.538 20 5 EDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174183150 283720577 /nfs/dbraw/zinc/72/05/77/283720577.db2.gz UHDBEZKFROYWMZ-NFAHFFEMSA-N 1 0 345.399 1.789 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccccc1C[NH+]1CCCC1 ZINC000043272128 202511332 /nfs/dbraw/zinc/51/13/32/202511332.db2.gz PXPQBRAEKDBAAW-UHFFFAOYSA-N 1 0 343.387 1.704 20 5 EDBDRO COC(=O)COc1ccc(C[N@H+]2C[C@H](O)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000414529361 304121601 /nfs/dbraw/zinc/12/16/01/304121601.db2.gz VRIXERXJXJTXBN-WCQYABFASA-N 1 0 338.360 1.349 20 5 EDBDRO CCc1ccc(S(=O)(=O)NCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000566224683 306404305 /nfs/dbraw/zinc/40/43/05/306404305.db2.gz ZELQUPMXJXMMBA-UHFFFAOYSA-N 1 0 327.406 1.578 20 5 EDBDRO COC(=O)COc1ccc(CNC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000414788145 304140787 /nfs/dbraw/zinc/14/07/87/304140787.db2.gz CXVCAWGIRQINRG-GFCCVEGCSA-N 1 0 325.365 1.220 20 5 EDBDRO Cc1n[nH]c(C(=O)NCCC[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000072049647 203159563 /nfs/dbraw/zinc/15/95/63/203159563.db2.gz ZHUBKTXJSZBFGZ-UHFFFAOYSA-N 1 0 331.376 1.878 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](CCO)Cc2ccccc2)c1 ZINC000072591417 203237496 /nfs/dbraw/zinc/23/74/96/203237496.db2.gz OCLVSZKYOUOFIG-QGZVFWFLSA-N 1 0 346.383 1.829 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000104496627 204110933 /nfs/dbraw/zinc/11/09/33/204110933.db2.gz TZIYHKMICCXOOL-QWHCGFSZSA-N 1 0 348.403 1.123 20 5 EDBDRO CC(C)[NH2+]C1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000108368432 204258570 /nfs/dbraw/zinc/25/85/70/204258570.db2.gz DQXHSLMFURGCHR-UHFFFAOYSA-N 1 0 346.431 1.946 20 5 EDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1Br ZINC000236567491 139026401 /nfs/dbraw/zinc/02/64/01/139026401.db2.gz DJDZHKNVFDMVPV-QMMMGPOBSA-N 1 0 328.166 1.839 20 5 EDBDRO CCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236712900 139029338 /nfs/dbraw/zinc/02/93/38/139029338.db2.gz ITWLFVOAJNZSLO-OAHLLOKOSA-N 1 0 348.403 1.397 20 5 EDBDRO COc1ccc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000237236798 139045356 /nfs/dbraw/zinc/04/53/56/139045356.db2.gz QMSOHSNGTZMTKX-GFCCVEGCSA-N 1 0 345.421 1.597 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000237329598 139048090 /nfs/dbraw/zinc/04/80/90/139048090.db2.gz HXVSBCMRPUQPLJ-NEPJUHHUSA-N 1 0 327.406 1.651 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000237330393 139048181 /nfs/dbraw/zinc/04/81/81/139048181.db2.gz JUXQWYOAKFDCJH-NEPJUHHUSA-N 1 0 327.406 1.651 20 5 EDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000127950994 205125372 /nfs/dbraw/zinc/12/53/72/205125372.db2.gz XXNMPQUOGUDJPM-GFCCVEGCSA-N 1 0 335.408 1.828 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000129690581 205208437 /nfs/dbraw/zinc/20/84/37/205208437.db2.gz ZMRSPYHSAQHJLP-OAHLLOKOSA-N 1 0 335.404 1.628 20 5 EDBDRO C[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[N@H+](C)C1CC1 ZINC000132331956 205321662 /nfs/dbraw/zinc/32/16/62/205321662.db2.gz VKRRQHMQRVPOLT-LBPRGKRZSA-N 1 0 343.387 1.993 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000133792896 205378214 /nfs/dbraw/zinc/37/82/14/205378214.db2.gz GOQVMTYEFAYVKK-UHFFFAOYSA-N 1 0 332.360 1.451 20 5 EDBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000567508491 306454023 /nfs/dbraw/zinc/45/40/23/306454023.db2.gz KKPCPOKUKUIPJJ-NWDGAFQWSA-N 1 0 327.406 1.588 20 5 EDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000245441170 139075067 /nfs/dbraw/zinc/07/50/67/139075067.db2.gz HCKXMMJYZKFFBL-OCCSQVGLSA-N 1 0 332.404 1.970 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2cc(F)c(F)c(F)c2)c1 ZINC000567711674 306460223 /nfs/dbraw/zinc/46/02/23/306460223.db2.gz MCUHHGSKIAUTKK-NSHDSACASA-N 1 0 344.293 1.402 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CCC([NH2+]C)CC2)cc1[N+](=O)[O-] ZINC000567851141 306465223 /nfs/dbraw/zinc/46/52/23/306465223.db2.gz QIHTWVNRUGSSLJ-UHFFFAOYSA-N 1 0 327.406 1.530 20 5 EDBDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000159940816 206272132 /nfs/dbraw/zinc/27/21/32/206272132.db2.gz JRWADCYGABLQAX-CYBMUJFWSA-N 1 0 329.360 1.712 20 5 EDBDRO CC[NH+](CC)CCS(=O)(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000568816365 306489295 /nfs/dbraw/zinc/48/92/95/306489295.db2.gz IXLIHFGBTBCJIC-UHFFFAOYSA-N 1 0 341.433 1.625 20 5 EDBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000253602695 139207421 /nfs/dbraw/zinc/20/74/21/139207421.db2.gz DWGANWANTTYVCW-TXEJJXNPSA-N 1 0 336.392 1.406 20 5 EDBDRO CN(C)S(=O)(=O)c1ccc(NCC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000261720926 139220394 /nfs/dbraw/zinc/22/03/94/139220394.db2.gz LYDPBCQWLNMOFO-LLVKDONJSA-N 1 0 342.421 1.257 20 5 EDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000261963499 139240333 /nfs/dbraw/zinc/24/03/33/139240333.db2.gz AARBFVOXLAYHKY-LBPRGKRZSA-N 1 0 329.360 1.734 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415481989 250964926 /nfs/dbraw/zinc/96/49/26/250964926.db2.gz JYPQGGVIJTVMQH-AWEZNQCLSA-N 1 0 347.419 1.723 20 5 EDBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CCN1C[C@@H](C)O ZINC000174630320 207039185 /nfs/dbraw/zinc/03/91/85/207039185.db2.gz MBLOZOHPWBFNTM-NEPJUHHUSA-N 1 0 339.367 1.651 20 5 EDBDRO O=C([C@H]1CC12CC[NH2+]CC2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000112561302 207085871 /nfs/dbraw/zinc/08/58/71/207085871.db2.gz VYSDUOXZBYTOMK-MRXNPFEDSA-N 1 0 344.415 1.633 20 5 EDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](CC(N)=O)C1 ZINC000175220586 207105796 /nfs/dbraw/zinc/10/57/96/207105796.db2.gz OXDZILLOFRULHR-VXGBXAGGSA-N 1 0 334.376 1.509 20 5 EDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000175317522 207115936 /nfs/dbraw/zinc/11/59/36/207115936.db2.gz KGFLRVCISQFIKV-LLVKDONJSA-N 1 0 336.348 1.883 20 5 EDBDRO C[C@]1(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000262296009 139267483 /nfs/dbraw/zinc/26/74/83/139267483.db2.gz NXQSBKROHRDKIX-AWEZNQCLSA-N 1 0 327.406 1.800 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417173506 251144198 /nfs/dbraw/zinc/14/41/98/251144198.db2.gz GYLXJFHAEQHSNU-QGZVFWFLSA-N 1 0 348.403 1.889 20 5 EDBDRO CCCN(C(=O)NCc1cc([N+](=O)[O-])ccc1OC)[C@H]1CC[NH2+]C1 ZINC000417172210 251144396 /nfs/dbraw/zinc/14/43/96/251144396.db2.gz FSFQCKBVZGHJND-AWEZNQCLSA-N 1 0 336.392 1.887 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000175548363 207137338 /nfs/dbraw/zinc/13/73/38/207137338.db2.gz LJCBZPWBJOERSE-CHWSQXEVSA-N 1 0 347.419 1.931 20 5 EDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-] ZINC000262340372 139271602 /nfs/dbraw/zinc/27/16/02/139271602.db2.gz GWWKGUYWFPIZGB-SNVBAGLBSA-N 1 0 325.365 1.730 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c(Cl)c1 ZINC000262393533 139275865 /nfs/dbraw/zinc/27/58/65/139275865.db2.gz BPAPBGANRGBDRM-JOYOIKCWSA-N 1 0 345.808 1.621 20 5 EDBDRO Cc1ccc(NCCCNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC000417708679 251237565 /nfs/dbraw/zinc/23/75/65/251237565.db2.gz ABQZUMIKOTWNBB-CJNGLKHVSA-N 1 0 347.419 1.709 20 5 EDBDRO O=C(C[C@@H]1COCC[NH2+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000262552658 139286136 /nfs/dbraw/zinc/28/61/36/139286136.db2.gz OXDWTCDCCIFBBX-CYBMUJFWSA-N 1 0 349.387 1.343 20 5 EDBDRO CC[C@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000420260473 251661501 /nfs/dbraw/zinc/66/15/01/251661501.db2.gz ISNNYKGIAZQJCN-NSHDSACASA-N 1 0 342.421 1.529 20 5 EDBDRO CCN(CC)S(=O)(=O)c1ccc(N[C@@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000420262943 251662789 /nfs/dbraw/zinc/66/27/89/251662789.db2.gz NBFWQBGDDYLFKO-MNOVXSKESA-N 1 0 344.437 1.773 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000420413323 251710753 /nfs/dbraw/zinc/71/07/53/251710753.db2.gz DWFAEHAFEPHHKX-LBPRGKRZSA-N 1 0 327.406 1.056 20 5 EDBDRO CCCN(C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CC[NH2+]C1 ZINC000422800438 251981149 /nfs/dbraw/zinc/98/11/49/251981149.db2.gz BTHCMPZJGMSGOT-CQSZACIVSA-N 1 0 348.403 1.234 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000422868671 252005187 /nfs/dbraw/zinc/00/51/87/252005187.db2.gz VHZOEKUIGJSPDR-HZMBPMFUSA-N 1 0 335.360 1.629 20 5 EDBDRO C[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C[NH3+] ZINC000424030165 252120692 /nfs/dbraw/zinc/12/06/92/252120692.db2.gz ZSZOEJGYWYAFRG-QWRGUYRKSA-N 1 0 344.371 1.906 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415604829 304237464 /nfs/dbraw/zinc/23/74/64/304237464.db2.gz PQIYRNZGIRBFES-INIZCTEOSA-N 1 0 332.360 1.054 20 5 EDBDRO Cc1c(CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)cccc1[N+](=O)[O-] ZINC000424164054 252150859 /nfs/dbraw/zinc/15/08/59/252150859.db2.gz BNKLCVBNXKNGDP-ZDUSSCGKSA-N 1 0 344.375 1.349 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000415610870 304238582 /nfs/dbraw/zinc/23/85/82/304238582.db2.gz XTTYHXMBOFXHQF-UHTWSYAYSA-N 1 0 332.360 1.037 20 5 EDBDRO Cc1c(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000424423331 252223840 /nfs/dbraw/zinc/22/38/40/252223840.db2.gz UYVKJFUDZYNTMZ-QWHCGFSZSA-N 1 0 344.375 1.595 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@]2(O)CCSC2)n1 ZINC000331695582 285168439 /nfs/dbraw/zinc/16/84/39/285168439.db2.gz ZTKPBEIHPDRJCK-OUCADQQQSA-N 1 0 326.422 1.733 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000415826497 304277925 /nfs/dbraw/zinc/27/79/25/304277925.db2.gz BJEUVEURUVUDOL-CMPLNLGQSA-N 1 0 334.376 1.339 20 5 EDBDRO COC[C@@]1(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000262412681 285324442 /nfs/dbraw/zinc/32/44/42/285324442.db2.gz DGFDBZNVNHIVEO-AWEZNQCLSA-N 1 0 327.768 1.747 20 5 EDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000119674790 221373722 /nfs/dbraw/zinc/37/37/22/221373722.db2.gz CAQYHWZDMQHAQZ-CQSZACIVSA-N 1 0 331.376 1.977 20 5 EDBDRO CC(C)[NH2+]C1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000265012687 139449578 /nfs/dbraw/zinc/44/95/78/139449578.db2.gz XDCLREDCXJJWGU-UHFFFAOYSA-N 1 0 342.421 1.209 20 5 EDBDRO O=C(CN1CC[NH+](C2CCC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000265127562 139455698 /nfs/dbraw/zinc/45/56/98/139455698.db2.gz LZNUGALYPGMQBB-UHFFFAOYSA-N 1 0 344.415 1.654 20 5 EDBDRO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](O)C(F)F ZINC000571284466 306561117 /nfs/dbraw/zinc/56/11/17/306561117.db2.gz XSTKWDHPVIQCKL-KWBADKCTSA-N 1 0 334.319 1.329 20 5 EDBDRO Cc1ccc([C@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000270850824 140182628 /nfs/dbraw/zinc/18/26/28/140182628.db2.gz XXASLTZWIYETSC-ZDUSSCGKSA-N 1 0 331.376 1.669 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000272793837 140513531 /nfs/dbraw/zinc/51/35/31/140513531.db2.gz CWXXEPLEJZHHRK-QWRGUYRKSA-N 1 0 342.421 1.527 20 5 EDBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340094290 142263719 /nfs/dbraw/zinc/26/37/19/142263719.db2.gz JUWMJZXCSGJTDR-GFCCVEGCSA-N 1 0 328.372 1.972 20 5 EDBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000346159014 143173607 /nfs/dbraw/zinc/17/36/07/143173607.db2.gz CYFAWZLKFGYJQI-KCQAQPDRSA-N 1 0 349.435 1.715 20 5 EDBDRO CCCc1[nH]nc(C(=O)N(C)C[C@@H]2C[C@@H](OC)C[N@@H+]2C)c1[N+](=O)[O-] ZINC000346701264 143234275 /nfs/dbraw/zinc/23/42/75/143234275.db2.gz SGPIPHSAFOSMBU-WDEREUQCSA-N 1 0 339.396 1.062 20 5 EDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C(N)=O)[C@H](c2cnn(C)c2)C1 ZINC000346944588 143264678 /nfs/dbraw/zinc/26/46/78/143264678.db2.gz XLXXETPHDGBPAO-RLCCDNCMSA-N 1 0 343.387 1.590 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](c3ccncc3)C2)c1 ZINC000347713722 143353058 /nfs/dbraw/zinc/35/30/58/143353058.db2.gz CGGCTNLUHOIVCI-HOCLYGCPSA-N 1 0 331.376 1.427 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)C[NH+](C)C)c1C ZINC000416507777 304326586 /nfs/dbraw/zinc/32/65/86/304326586.db2.gz MDOUHQLWEDBOTF-UHFFFAOYSA-N 1 0 329.422 1.830 20 5 EDBDRO C[C@H](COc1cccc(F)c1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000572632101 306596098 /nfs/dbraw/zinc/59/60/98/306596098.db2.gz SVSLSVAOQOGAQP-BXUZGUMPSA-N 1 0 338.339 1.348 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000408236771 292172108 /nfs/dbraw/zinc/17/21/08/292172108.db2.gz NTRMJRZDRXCPRQ-CHWSQXEVSA-N 1 0 341.433 1.864 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000331254438 292174610 /nfs/dbraw/zinc/17/46/10/292174610.db2.gz XAAYPSPAWMRZLJ-LBPRGKRZSA-N 1 0 327.406 1.618 20 5 EDBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000573553128 306623702 /nfs/dbraw/zinc/62/37/02/306623702.db2.gz UQWZTQUJBCLPOC-UHFFFAOYSA-N 1 0 332.364 1.847 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000355325346 150217413 /nfs/dbraw/zinc/21/74/13/150217413.db2.gz SDGCCZIOJNGZHI-CVEARBPZSA-N 1 0 348.403 1.328 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3C)[C@@H]2C1 ZINC000355340392 150223730 /nfs/dbraw/zinc/22/37/30/150223730.db2.gz IORSJGNOYUPJDN-CVEARBPZSA-N 1 0 333.388 1.838 20 5 EDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000355451355 150272874 /nfs/dbraw/zinc/27/28/74/150272874.db2.gz XSMQBFKERAFIKW-CQSZACIVSA-N 1 0 333.388 1.922 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000357385297 151014787 /nfs/dbraw/zinc/01/47/87/151014787.db2.gz FUOJWXAJYWNLIR-FZMZJTMJSA-N 1 0 349.387 1.984 20 5 EDBDRO CC(C)[N@H+](C)C[C@H](C)Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000357575018 151072336 /nfs/dbraw/zinc/07/23/36/151072336.db2.gz YICXRCVFTQNIMN-JTQLQIEISA-N 1 0 330.410 1.383 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000357613614 151085632 /nfs/dbraw/zinc/08/56/32/151085632.db2.gz HFWYNCQRLPZITQ-UHFFFAOYSA-N 1 0 345.407 1.112 20 5 EDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000358307424 151332544 /nfs/dbraw/zinc/33/25/44/151332544.db2.gz QKCVQQPEBMBASF-GXTWGEPZSA-N 1 0 342.417 1.319 20 5 EDBDRO CCN1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000360771244 152197098 /nfs/dbraw/zinc/19/70/98/152197098.db2.gz XEVXTCDKAOJSAU-GFCCVEGCSA-N 1 0 327.406 1.584 20 5 EDBDRO COc1ccc(CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000417177123 304380720 /nfs/dbraw/zinc/38/07/20/304380720.db2.gz CRHNUKJMMWSQQI-AVGNSLFASA-N 1 0 334.376 1.482 20 5 EDBDRO O=C([C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1)N1CCCCC1 ZINC000363592752 153007676 /nfs/dbraw/zinc/00/76/76/153007676.db2.gz KYCGSQWYNCBKEC-AWEZNQCLSA-N 1 0 335.408 1.516 20 5 EDBDRO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000363593487 153008921 /nfs/dbraw/zinc/00/89/21/153008921.db2.gz YPRCHDRPVKTNAE-ZIAGYGMSSA-N 1 0 335.408 1.657 20 5 EDBDRO CNS(=O)(=O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000363717296 153038069 /nfs/dbraw/zinc/03/80/69/153038069.db2.gz RWJYYOHPEGRAGU-LBPRGKRZSA-N 1 0 347.824 1.762 20 5 EDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000364290529 153197334 /nfs/dbraw/zinc/19/73/34/153197334.db2.gz MUVAQDGNXUTAIL-UHFFFAOYSA-N 1 0 349.435 1.725 20 5 EDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000417199830 304383677 /nfs/dbraw/zinc/38/36/77/304383677.db2.gz ZDLVMGPXRSYGOL-CYBMUJFWSA-N 1 0 336.392 1.887 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000364781110 153331510 /nfs/dbraw/zinc/33/15/10/153331510.db2.gz FYJYQZALJMMCPF-CJNGLKHVSA-N 1 0 335.360 1.699 20 5 EDBDRO [NH3+][C@@H]1CCN(C(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]23)C1 ZINC000364872744 153357974 /nfs/dbraw/zinc/35/79/74/153357974.db2.gz ZMNJSFQENXIIRW-UKPHBRMFSA-N 1 0 344.415 1.686 20 5 EDBDRO COc1ccc(CNC(=O)NCC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417199397 304383864 /nfs/dbraw/zinc/38/38/64/304383864.db2.gz YBMOXBWCHGKCSI-GFCCVEGCSA-N 1 0 336.392 1.792 20 5 EDBDRO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000364952501 153381602 /nfs/dbraw/zinc/38/16/02/153381602.db2.gz CVZHMSYNFSPDSG-MKBNYLNASA-N 1 0 346.387 1.509 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000366368944 292294944 /nfs/dbraw/zinc/29/49/44/292294944.db2.gz NJUHHHWWWMNKKR-ZDUSSCGKSA-N 1 0 325.390 1.324 20 5 EDBDRO O=C(C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000367456591 154132033 /nfs/dbraw/zinc/13/20/33/154132033.db2.gz CGNVXIQRDVOJOH-WBMJQRKESA-N 1 0 332.360 1.180 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](CO)CC2CCCC2)c1 ZINC000574637455 306654663 /nfs/dbraw/zinc/65/46/63/306654663.db2.gz CIAFIURYWBYJPS-ZBFHGGJFSA-N 1 0 338.404 1.865 20 5 EDBDRO COc1cccc(N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000420147853 286456650 /nfs/dbraw/zinc/45/66/50/286456650.db2.gz DRRHTPSPYZWQDS-ZDUSSCGKSA-N 1 0 348.403 1.252 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCNC(=O)C[C@@H]1C ZINC000369419236 155022851 /nfs/dbraw/zinc/02/28/51/155022851.db2.gz QPMPKCGUTZVFPY-LBPRGKRZSA-N 1 0 334.376 1.442 20 5 EDBDRO O=C(C[C@@H]1CCC[NH2+]CC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000372410560 156375418 /nfs/dbraw/zinc/37/54/18/156375418.db2.gz BVFVURVVFGXZGF-KGLIPLIRSA-N 1 0 347.419 1.782 20 5 EDBDRO C[C@]1(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)NC(=O)NC1=O ZINC000374110201 157147348 /nfs/dbraw/zinc/14/73/48/157147348.db2.gz YYBVFDMYUOQKIQ-MRXNPFEDSA-N 1 0 332.360 1.405 20 5 EDBDRO Cn1cc([C@H]2[C@H](C[NH2+]Cc3cccc([N+](=O)[O-])c3)CC(=O)N2C)cn1 ZINC000377250834 157906085 /nfs/dbraw/zinc/90/60/85/157906085.db2.gz OMXWQUUJDBZVLW-SUMWQHHRSA-N 1 0 343.387 1.638 20 5 EDBDRO CC[NH+](CC)CCS(=O)(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000352312614 162110638 /nfs/dbraw/zinc/11/06/38/162110638.db2.gz IFPHCGQIEXQEQM-UHFFFAOYSA-N 1 0 329.422 1.399 20 5 EDBDRO CN(C)S(=O)(=O)CCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352543286 162242418 /nfs/dbraw/zinc/24/24/18/162242418.db2.gz CKGOOYLMOXIZMY-UHFFFAOYSA-N 1 0 329.422 1.351 20 5 EDBDRO CN(CC[NH+]1CCCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000089900124 287324732 /nfs/dbraw/zinc/32/47/32/287324732.db2.gz FZXYLEIIOXMHQC-MRXNPFEDSA-N 1 0 332.404 1.728 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000365710691 292587932 /nfs/dbraw/zinc/58/79/32/292587932.db2.gz JBNZNGDDHJUSFF-CNDDSTCGSA-N 1 0 325.390 1.546 20 5 EDBDRO C[NH+](C)C1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000127994922 287449225 /nfs/dbraw/zinc/44/92/25/287449225.db2.gz BHGPIAXUCKSUCC-UHFFFAOYSA-N 1 0 348.403 1.919 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1([NH+](C)C)CCC1 ZINC000275468039 268346535 /nfs/dbraw/zinc/34/65/35/268346535.db2.gz LCZQMLIOXQTKET-UHFFFAOYSA-N 1 0 327.406 1.666 20 5 EDBDRO C[N@H+](CCO)C1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278443435 268660881 /nfs/dbraw/zinc/66/08/81/268660881.db2.gz QWBCTVZHIRSANC-UHFFFAOYSA-N 1 0 348.325 1.902 20 5 EDBDRO COC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCO1 ZINC000279012416 268768386 /nfs/dbraw/zinc/76/83/86/268768386.db2.gz FNHBNMYEAXBKPJ-GDBMZVCRSA-N 1 0 349.387 1.268 20 5 EDBDRO CCN1CCC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000273412479 273036988 /nfs/dbraw/zinc/03/69/88/273036988.db2.gz IBHOFEMAACKSRU-UHFFFAOYSA-N 1 0 341.433 1.442 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1=CC[N@H+](C)CC1 ZINC000273964070 273062598 /nfs/dbraw/zinc/06/25/98/273062598.db2.gz OIHWXXOXHYVQAB-UHFFFAOYSA-N 1 0 341.389 1.144 20 5 EDBDRO CC[C@H](C(N)=O)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000273998570 273065526 /nfs/dbraw/zinc/06/55/26/273065526.db2.gz JMWCUFGOUUFYFX-CQSZACIVSA-N 1 0 346.391 1.247 20 5 EDBDRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000274521816 273093077 /nfs/dbraw/zinc/09/30/77/273093077.db2.gz WWVHFCCSBTUISR-GFCCVEGCSA-N 1 0 337.380 1.941 20 5 EDBDRO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276207235 273152622 /nfs/dbraw/zinc/15/26/22/273152622.db2.gz JPSWFLXNUYIUKB-LLVKDONJSA-N 1 0 327.406 1.386 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CCCCO ZINC000276221944 273154576 /nfs/dbraw/zinc/15/45/76/273154576.db2.gz BFBZDGWESPMLOS-LLVKDONJSA-N 1 0 325.365 1.635 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000277746262 273222397 /nfs/dbraw/zinc/22/23/97/273222397.db2.gz YMLSKZLEOUDCHS-SWLSCSKDSA-N 1 0 332.404 1.923 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2(C[NH+](C)C)CCC2)c1C ZINC000281537850 273488457 /nfs/dbraw/zinc/48/84/57/273488457.db2.gz NDUIZRHFGZLFIA-UHFFFAOYSA-N 1 0 341.433 1.974 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@H](C)[NH+](C)C ZINC000282528119 273670359 /nfs/dbraw/zinc/67/03/59/273670359.db2.gz BSOTZMDOKCPNCW-QMMMGPOBSA-N 1 0 326.328 1.047 20 5 EDBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000284120488 274087538 /nfs/dbraw/zinc/08/75/38/274087538.db2.gz NQTMACCSUHTSBQ-BXUZGUMPSA-N 1 0 336.392 1.465 20 5 EDBDRO C[C@@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C[NH3+])C1 ZINC000261869493 274299758 /nfs/dbraw/zinc/29/97/58/274299758.db2.gz SDYQIROCMWRTCP-DOMZBBRYSA-N 1 0 343.387 1.980 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC=C(c3ccccc3)C2)c1 ZINC000284746726 274315831 /nfs/dbraw/zinc/31/58/31/274315831.db2.gz LFKASSMHVIMLTQ-QGZVFWFLSA-N 1 0 328.372 1.942 20 5 EDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000285665624 274611233 /nfs/dbraw/zinc/61/12/33/274611233.db2.gz HZTOBSADONQARC-VXGBXAGGSA-N 1 0 329.360 1.780 20 5 EDBDRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000285673121 274613649 /nfs/dbraw/zinc/61/36/49/274613649.db2.gz ZVYXQFQGSKNQDZ-HIFRSBDPSA-N 1 0 341.433 1.792 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000372902907 274666367 /nfs/dbraw/zinc/66/63/67/274666367.db2.gz XKORVTCVBPLCAL-TXEJJXNPSA-N 1 0 334.332 1.778 20 5 EDBDRO C[NH2+]CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000121544248 277022722 /nfs/dbraw/zinc/02/27/22/277022722.db2.gz REQSDJHLRVNURJ-HNNXBMFYSA-N 1 0 348.403 1.234 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000420119850 277026664 /nfs/dbraw/zinc/02/66/64/277026664.db2.gz KBWRLYZKMJTFBS-LBPRGKRZSA-N 1 0 332.404 1.923 20 5 EDBDRO CO[C@@H]1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000261875151 277293105 /nfs/dbraw/zinc/29/31/05/277293105.db2.gz LVLQQDJIKWGDGW-NWDGAFQWSA-N 1 0 343.405 1.030 20 5 EDBDRO C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000237508904 278343606 /nfs/dbraw/zinc/34/36/06/278343606.db2.gz WLMMLPYAPQBRMG-JOYOIKCWSA-N 1 0 347.824 1.996 20 5 EDBDRO O=C(CC[N@H+]1CCC[C@](F)(CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000286717570 288068982 /nfs/dbraw/zinc/06/89/82/288068982.db2.gz CFHXOQFSXYOKDY-OAHLLOKOSA-N 1 0 325.340 1.720 20 5 EDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000189151724 279309629 /nfs/dbraw/zinc/30/96/29/279309629.db2.gz NBTZURGZISWNGR-CHWSQXEVSA-N 1 0 341.433 1.994 20 5 EDBDRO COC(=O)c1cc(C)nc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000287169374 288171881 /nfs/dbraw/zinc/17/18/81/288171881.db2.gz GWRGXMBVTBQFKG-NWDGAFQWSA-N 1 0 334.376 1.758 20 5 EDBDRO COCCC[N@H+](C)CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000287268793 288196468 /nfs/dbraw/zinc/19/64/68/288196468.db2.gz LEVGLDBESHFDNU-UHFFFAOYSA-N 1 0 325.394 1.980 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000366304270 280656049 /nfs/dbraw/zinc/65/60/49/280656049.db2.gz JDCVURAQPKNIDI-GXTWGEPZSA-N 1 0 339.417 1.584 20 5 EDBDRO C[C@@H](C[NH+](C)C)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000288020991 288383197 /nfs/dbraw/zinc/38/31/97/288383197.db2.gz MXIJJAGVPDLGPO-ZDUSSCGKSA-N 1 0 335.408 1.377 20 5 EDBDRO Cc1nn(C)c(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000377704919 447305667 /nfs/dbraw/zinc/30/56/67/447305667.db2.gz OCVRQMGBPKNTCA-SWLSCSKDSA-N 1 0 347.423 1.865 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000291957412 289225858 /nfs/dbraw/zinc/22/58/58/289225858.db2.gz NYOLHYRRIVFTAY-QGZVFWFLSA-N 1 0 348.403 1.841 20 5 EDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)C2)C1 ZINC000292346143 289321919 /nfs/dbraw/zinc/32/19/19/289321919.db2.gz VDZSDEIRUAZMAF-INIZCTEOSA-N 1 0 333.344 1.491 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000292942247 289479643 /nfs/dbraw/zinc/47/96/43/289479643.db2.gz BICORYBAOMULGO-GFCCVEGCSA-N 1 0 334.376 1.939 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000269243428 289779920 /nfs/dbraw/zinc/77/99/20/289779920.db2.gz DFMNEBRRSCXEQM-WDEREUQCSA-N 1 0 335.360 1.565 20 5 EDBDRO Cn1cc([C@@H]2CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000424230337 294281383 /nfs/dbraw/zinc/28/13/83/294281383.db2.gz FCNCGQFXBSRODB-QWHCGFSZSA-N 1 0 349.778 1.549 20 5 EDBDRO Cn1cc([C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000424228779 294281393 /nfs/dbraw/zinc/28/13/93/294281393.db2.gz UTJULIRPLWFXBN-QWHCGFSZSA-N 1 0 333.323 1.034 20 5 EDBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000341057272 299894283 /nfs/dbraw/zinc/89/42/83/299894283.db2.gz KCVUGFYQVAQZQC-STQMWFEESA-N 1 0 337.424 1.906 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000419268406 304583990 /nfs/dbraw/zinc/58/39/90/304583990.db2.gz KOYZGNJTEYLOHT-MBNYWOFBSA-N 1 0 348.403 1.276 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000419272491 304585215 /nfs/dbraw/zinc/58/52/15/304585215.db2.gz PTZGWVOSXLHBRJ-CHWSQXEVSA-N 1 0 348.403 1.196 20 5 EDBDRO C[C@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000420181679 300296029 /nfs/dbraw/zinc/29/60/29/300296029.db2.gz FLUFVJRMMOLVBG-ZFWWWQNUSA-N 1 0 334.420 1.601 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420278619 304742781 /nfs/dbraw/zinc/74/27/81/304742781.db2.gz VWJNIUSGGYLNSC-DOMZBBRYSA-N 1 0 341.433 1.570 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+][C@@H](C)[C@@H]1C ZINC000420302217 304746408 /nfs/dbraw/zinc/74/64/08/304746408.db2.gz BLVMNUALNCUMFL-RYUDHWBXSA-N 1 0 336.392 1.614 20 5 EDBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000420426501 304757096 /nfs/dbraw/zinc/75/70/96/304757096.db2.gz VYWDKCFNBVNVPE-ZDUSSCGKSA-N 1 0 327.406 1.056 20 5 EDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])C2)C1 ZINC000293924381 303038959 /nfs/dbraw/zinc/03/89/59/303038959.db2.gz PUTOYVOTBTUKNZ-QGZVFWFLSA-N 1 0 347.371 1.340 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000293972795 303046555 /nfs/dbraw/zinc/04/65/55/303046555.db2.gz UXBLCTDZFAFVDJ-JKSUJKDBSA-N 1 0 333.388 1.459 20 5 EDBDRO Cc1cc(OCC(=O)Nc2ccnn2CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000294029604 303053331 /nfs/dbraw/zinc/05/33/31/303053331.db2.gz JXSWQPRYYZUUKH-UHFFFAOYSA-N 1 0 347.375 1.679 20 5 EDBDRO C[C@H](Cn1ccnc1)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000294876340 303152160 /nfs/dbraw/zinc/15/21/60/303152160.db2.gz PSAZSNXVNXDZLQ-SNVBAGLBSA-N 1 0 335.339 1.815 20 5 EDBDRO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)C(C)(C)O)c([N+](=O)[O-])c1 ZINC000295175073 303184318 /nfs/dbraw/zinc/18/43/18/303184318.db2.gz OXNQIYBZNDWCNK-JTQLQIEISA-N 1 0 325.365 1.633 20 5 EDBDRO C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000295218897 303190320 /nfs/dbraw/zinc/19/03/20/303190320.db2.gz QTPFYSBZHCQEHN-UTUOFQBUSA-N 1 0 343.405 1.029 20 5 EDBDRO C[C@H]([NH2+]CC(=O)NC(=O)NCc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000296821300 303339575 /nfs/dbraw/zinc/33/95/75/303339575.db2.gz VRNPCOWAWTUWNB-NSHDSACASA-N 1 0 346.343 1.864 20 5 EDBDRO COc1ccc(OCC[NH2+][C@](C)(C(N)=O)C(C)C)c([N+](=O)[O-])c1 ZINC000297810413 303448416 /nfs/dbraw/zinc/44/84/16/303448416.db2.gz YBLNZHZLRPHVNL-HNNXBMFYSA-N 1 0 325.365 1.472 20 5 EDBDRO Cn1cc([C@@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[NH+](C)C)cn1 ZINC000301290220 303670959 /nfs/dbraw/zinc/67/09/59/303670959.db2.gz OSUYNMGSDVSBEK-CQSZACIVSA-N 1 0 334.336 1.951 20 5 EDBDRO C[C@@H](Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)C(C)(C)C[NH+](C)C ZINC000302128742 303713701 /nfs/dbraw/zinc/71/37/01/303713701.db2.gz BJYPSKHWRBDIMA-SNVBAGLBSA-N 1 0 344.437 1.630 20 5 EDBDRO CC1CC[NH+](C[C@@H](O)CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000304310071 303752452 /nfs/dbraw/zinc/75/24/52/303752452.db2.gz KCCJSINRLWIORM-INIZCTEOSA-N 1 0 335.404 1.346 20 5 EDBDRO COc1cc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000322244498 303767599 /nfs/dbraw/zinc/76/75/99/303767599.db2.gz DPUBOUIRAIBIHF-ZDUSSCGKSA-N 1 0 325.365 1.715 20 5 EDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@H+]1CCO ZINC000493569197 447343742 /nfs/dbraw/zinc/34/37/42/447343742.db2.gz RYPLFNNWUPMPQT-CDNLZTBQSA-N 1 0 333.388 1.571 20 5 EDBDRO CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000423944260 304920241 /nfs/dbraw/zinc/92/02/41/304920241.db2.gz HJQHYXMZUMYRQN-OAHLLOKOSA-N 1 0 329.360 1.590 20 5 EDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423958222 304921245 /nfs/dbraw/zinc/92/12/45/304921245.db2.gz WHHWDEATWVNXSI-CYBMUJFWSA-N 1 0 336.392 1.204 20 5 EDBDRO CC(C)([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000429231701 305026027 /nfs/dbraw/zinc/02/60/27/305026027.db2.gz QMWIKQGSEDFYNE-UHFFFAOYSA-N 1 0 342.417 1.359 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430644958 305060872 /nfs/dbraw/zinc/06/08/72/305060872.db2.gz AOWRYNAAPVJPEF-BBRMVZONSA-N 1 0 332.404 1.632 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000430919356 305068114 /nfs/dbraw/zinc/06/81/14/305068114.db2.gz KRNSISQWLPBQLR-VXGBXAGGSA-N 1 0 336.392 1.614 20 5 EDBDRO COc1ccc(NC(=O)CN2CCC([C@H](C)[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000430940480 305069664 /nfs/dbraw/zinc/06/96/64/305069664.db2.gz PGDQJEJSMNXVCP-NSHDSACASA-N 1 0 336.392 1.601 20 5 EDBDRO CCCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[NH2+]C1 ZINC000430955022 305070593 /nfs/dbraw/zinc/07/05/93/305070593.db2.gz HFOBTWSXYPWLRA-OAHLLOKOSA-N 1 0 332.404 1.558 20 5 EDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC2(CC[NH2+]C2)CC1 ZINC000431013251 305072725 /nfs/dbraw/zinc/07/27/25/305072725.db2.gz IJHRZXIMWMNRSX-ZDUSSCGKSA-N 1 0 332.404 1.997 20 5 EDBDRO COc1cc(CN2CC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435380354 305139520 /nfs/dbraw/zinc/13/95/20/305139520.db2.gz NTUFSJUHGMYAMN-JTQLQIEISA-N 1 0 331.319 1.780 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000440405370 305205830 /nfs/dbraw/zinc/20/58/30/305205830.db2.gz HDDCYKIQDXXWOI-NEPJUHHUSA-N 1 0 325.390 1.418 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000440435187 305206685 /nfs/dbraw/zinc/20/66/85/305206685.db2.gz GMDIPXZYPGZWHS-LBPRGKRZSA-N 1 0 341.389 1.118 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000440436674 305206704 /nfs/dbraw/zinc/20/67/04/305206704.db2.gz GQUGFWBPNHQNDE-AWEZNQCLSA-N 1 0 325.390 1.251 20 5 EDBDRO COC(=O)c1cn(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])nn1 ZINC000449310824 305311007 /nfs/dbraw/zinc/31/10/07/305311007.db2.gz IODCSXIWHUDGIN-NSHDSACASA-N 1 0 333.348 1.194 20 5 EDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000449694185 305317187 /nfs/dbraw/zinc/31/71/87/305317187.db2.gz GIYHXCFYGZYSMO-HNNXBMFYSA-N 1 0 343.387 1.898 20 5 EDBDRO C[N@H+]1C[C@H]2CN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000451455672 305347589 /nfs/dbraw/zinc/34/75/89/305347589.db2.gz CQOYIBOAUWRJOM-OKILXGFUSA-N 1 0 331.372 1.578 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2COCC2(C)C)c([N+](=O)[O-])c1 ZINC000451815488 305370806 /nfs/dbraw/zinc/37/08/06/305370806.db2.gz ZSTODNPWRCLHNY-AWEZNQCLSA-N 1 0 337.376 1.947 20 5 EDBDRO CC(C)(C(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1ccccc1[N+](=O)[O-] ZINC000452376632 305395308 /nfs/dbraw/zinc/39/53/08/305395308.db2.gz LJXVGCLRIXYNBI-CQSZACIVSA-N 1 0 349.431 1.835 20 5 EDBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000452395420 305397865 /nfs/dbraw/zinc/39/78/65/305397865.db2.gz WPRILGUZKFUXRV-LBPRGKRZSA-N 1 0 347.375 1.048 20 5 EDBDRO O=C(NCC[NH+]1CCC(O)CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000456582128 305467455 /nfs/dbraw/zinc/46/74/55/305467455.db2.gz MCMXQBCOZLJCAH-UHFFFAOYSA-N 1 0 332.360 1.263 20 5 EDBDRO COc1cc(CNC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414906025 447352375 /nfs/dbraw/zinc/35/23/75/447352375.db2.gz LSFDYGKVLJCJGR-JTQLQIEISA-N 1 0 345.346 1.946 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCCc1ccccn1 ZINC000514788883 305705535 /nfs/dbraw/zinc/70/55/35/305705535.db2.gz PVUUWEUQDLMLDV-OAHLLOKOSA-N 1 0 331.372 1.952 20 5 EDBDRO [NH3+]C[C@@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000514924520 305709756 /nfs/dbraw/zinc/70/97/56/305709756.db2.gz NSWICCCXCNYSPE-OAHLLOKOSA-N 1 0 336.392 1.790 20 5 EDBDRO Cc1ccccc1O[C@@H](C)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000517128220 305748063 /nfs/dbraw/zinc/74/80/63/305748063.db2.gz YNOBHVZFMRYQTE-DZGCQCFKSA-N 1 0 334.376 1.518 20 5 EDBDRO O=C(N[C@@H]1CCCC[C@H]1N1CCOCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000540953627 306042593 /nfs/dbraw/zinc/04/25/93/306042593.db2.gz HMFJZILJZLVJDZ-HZPDHXFCSA-N 1 0 349.387 1.674 20 5 EDBDRO C[C@H](C(=O)NCCOCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000542635823 306055487 /nfs/dbraw/zinc/05/54/87/306055487.db2.gz ALSWLDHWWXLUHF-NSHDSACASA-N 1 0 327.356 1.532 20 5 EDBDRO CC[NH+]1CCN(c2ccccc2NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548741025 306136411 /nfs/dbraw/zinc/13/64/11/306136411.db2.gz RZYRGZXODIDXEF-UHFFFAOYSA-N 1 0 344.375 1.712 20 5 EDBDRO NS(=O)(=O)c1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000555883189 306206836 /nfs/dbraw/zinc/20/68/36/306206836.db2.gz IVPUGGUZUSWPLW-JTQLQIEISA-N 1 0 340.405 1.138 20 5 EDBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000456360441 447374579 /nfs/dbraw/zinc/37/45/79/447374579.db2.gz VCLRVFAAMAELNJ-CQSZACIVSA-N 1 0 337.424 1.741 20 5 EDBDRO C[N@H+]([C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCCC[C@H]1O ZINC000426218546 447400897 /nfs/dbraw/zinc/40/08/97/447400897.db2.gz UDTDCLOJDPJLPC-OWCLPIDISA-N 1 0 333.388 1.935 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000046036415 441072781 /nfs/dbraw/zinc/07/27/81/441072781.db2.gz WUHFXRLADBVBPI-UONOGXRCSA-N 1 0 325.390 1.500 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(n3ccnc3)CC2)s1 ZINC000101922989 441163610 /nfs/dbraw/zinc/16/36/10/441163610.db2.gz AWMAJTOPXTYDQL-UHFFFAOYSA-N 1 0 342.402 1.879 20 5 EDBDRO CN1CC[NH+](CCCCNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000104253984 441191980 /nfs/dbraw/zinc/19/19/80/441191980.db2.gz IEESCDLQFYFTPL-UHFFFAOYSA-N 1 0 349.435 1.151 20 5 EDBDRO Cc1nn(CCC(=O)NC2CC[NH+](C3CCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000456684976 447439221 /nfs/dbraw/zinc/43/92/21/447439221.db2.gz PHCUONZKBSFRHX-UHFFFAOYSA-N 1 0 349.435 1.931 20 5 EDBDRO Cc1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000063201901 441317639 /nfs/dbraw/zinc/31/76/39/441317639.db2.gz RAVFNFXNQZOJIV-UHFFFAOYSA-N 1 0 349.412 1.883 20 5 EDBDRO CC[NH+](CC)CCNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000050081344 441372496 /nfs/dbraw/zinc/37/24/96/441372496.db2.gz YZNUOQLBMDBLQK-GFCCVEGCSA-N 1 0 336.392 1.171 20 5 EDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000107890743 441433040 /nfs/dbraw/zinc/43/30/40/441433040.db2.gz OPNVHKFFNWFBQW-LLVKDONJSA-N 1 0 335.360 1.453 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108338625 441447695 /nfs/dbraw/zinc/44/76/95/441447695.db2.gz UGECQEVEBNBRGV-OLZOCXBDSA-N 1 0 348.403 1.171 20 5 EDBDRO C[N@@H+]1CCC[C@@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000052590503 441462962 /nfs/dbraw/zinc/46/29/62/441462962.db2.gz KUGDOXBGIHGRLO-CQSZACIVSA-N 1 0 347.419 1.521 20 5 EDBDRO Cc1sc(C(=O)NCCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000053450117 441523393 /nfs/dbraw/zinc/52/33/93/441523393.db2.gz UFPOWRQBIJVVKR-UHFFFAOYSA-N 1 0 327.406 1.807 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066615101 441552042 /nfs/dbraw/zinc/55/20/42/441552042.db2.gz SLTQDVKTISEVFL-ZIAGYGMSSA-N 1 0 347.371 1.723 20 5 EDBDRO CCS[C@@H]1CCCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075739143 441552532 /nfs/dbraw/zinc/55/25/32/441552532.db2.gz VBQKJVYFUCZOQY-UONOGXRCSA-N 1 0 328.438 1.760 20 5 EDBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000066811620 441570991 /nfs/dbraw/zinc/57/09/91/441570991.db2.gz QSVWKOCLAPPQGW-HUUCEWRRSA-N 1 0 333.436 1.985 20 5 EDBDRO C[NH+](C)CC(C)(C)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000068045552 441717495 /nfs/dbraw/zinc/71/74/95/441717495.db2.gz XXJGSNSPSUCZQY-UHFFFAOYSA-N 1 0 330.410 1.242 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000042055949 441700221 /nfs/dbraw/zinc/70/02/21/441700221.db2.gz MIAFRRHWYLQUGA-UKRRQHHQSA-N 1 0 346.387 1.585 20 5 EDBDRO C[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)[N@@H+]1CCc2ccccc2C1 ZINC000076652262 441670231 /nfs/dbraw/zinc/67/02/31/441670231.db2.gz CTLLYXHCBSIZST-NSHDSACASA-N 1 0 328.376 1.826 20 5 EDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]([NH3+])C1CC1 ZINC000137499144 441772291 /nfs/dbraw/zinc/77/22/91/441772291.db2.gz OTSPEUCQOWLGEX-KCJUWKMLSA-N 1 0 327.768 1.869 20 5 EDBDRO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000140647372 441842371 /nfs/dbraw/zinc/84/23/71/441842371.db2.gz YUTLEQNQQDEYKU-KKUMJFAQSA-N 1 0 340.424 1.678 20 5 EDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000141697009 441854067 /nfs/dbraw/zinc/85/40/67/441854067.db2.gz NFRWNKXRELOVGI-GFCCVEGCSA-N 1 0 329.360 1.781 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117782615 441878435 /nfs/dbraw/zinc/87/84/35/441878435.db2.gz DIWOBMFVHFIKBM-UHFFFAOYSA-N 1 0 329.784 1.485 20 5 EDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000119425290 441934261 /nfs/dbraw/zinc/93/42/61/441934261.db2.gz LTRGFXOPGJLJPC-KGLIPLIRSA-N 1 0 333.388 1.916 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000124888449 441963940 /nfs/dbraw/zinc/96/39/40/441963940.db2.gz ZIRPNIIGBZNGNK-BDAKNGLRSA-N 1 0 333.797 1.796 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000120195756 442027235 /nfs/dbraw/zinc/02/72/35/442027235.db2.gz VOJPILCTAVCKQS-ZDUSSCGKSA-N 1 0 335.408 1.579 20 5 EDBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cs1 ZINC000151275035 442036439 /nfs/dbraw/zinc/03/64/39/442036439.db2.gz ZUIBJOUSKSYTKN-UHFFFAOYSA-N 1 0 345.446 1.703 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000125658052 442039140 /nfs/dbraw/zinc/03/91/40/442039140.db2.gz RQNJWMDTRFHRLN-UHFFFAOYSA-N 1 0 335.408 1.855 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCN(C)CC2)cc1C ZINC000126244207 442092030 /nfs/dbraw/zinc/09/20/30/442092030.db2.gz MRDPFYLOTLCRGY-UHFFFAOYSA-N 1 0 327.406 1.538 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000152117307 442167485 /nfs/dbraw/zinc/16/74/85/442167485.db2.gz OVDZLTCIMUXYPC-LBPRGKRZSA-N 1 0 331.380 1.666 20 5 EDBDRO CC[NH+](CC)CCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000097205836 442187080 /nfs/dbraw/zinc/18/70/80/442187080.db2.gz ZLJRKUSLYDXRDT-UHFFFAOYSA-N 1 0 329.422 1.746 20 5 EDBDRO O=C(C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1)N1CCCCC1 ZINC000176218872 442193870 /nfs/dbraw/zinc/19/38/70/442193870.db2.gz AAXLHMXTZUNJIX-UHFFFAOYSA-N 1 0 335.408 1.516 20 5 EDBDRO O=C(NC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1)C1CCCCC1 ZINC000176219676 442194014 /nfs/dbraw/zinc/19/40/14/442194014.db2.gz ASVXFJKSXGFKNR-UHFFFAOYSA-N 1 0 349.435 1.952 20 5 EDBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000165953332 442212883 /nfs/dbraw/zinc/21/28/83/442212883.db2.gz DEMALQRAZSBKKF-AOOOYVTPSA-N 1 0 340.177 1.649 20 5 EDBDRO C[C@]([NH2+]CCOc1cccc([N+](=O)[O-])c1)(C(N)=O)c1ccccc1 ZINC000170644787 442241087 /nfs/dbraw/zinc/24/10/87/442241087.db2.gz JGSQCWWASDDICV-QGZVFWFLSA-N 1 0 329.356 1.964 20 5 EDBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000170886077 442283772 /nfs/dbraw/zinc/28/37/72/442283772.db2.gz FLHTUVAMVNVURJ-NSHDSACASA-N 1 0 345.421 1.612 20 5 EDBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3csc([N+](=O)[O-])c3)C2)CC1 ZINC000170949543 442293243 /nfs/dbraw/zinc/29/32/43/442293243.db2.gz FSRVDHNPGMKVME-ZDUSSCGKSA-N 1 0 338.433 1.508 20 5 EDBDRO C[C@H](NC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(=O)N(C)C ZINC000130375434 442345081 /nfs/dbraw/zinc/34/50/81/442345081.db2.gz HWXOPXVZESOZOF-LBPRGKRZSA-N 1 0 348.403 1.152 20 5 EDBDRO CC(C)N1CCC[C@@H]([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000177734931 442377870 /nfs/dbraw/zinc/37/78/70/442377870.db2.gz RXWRKRXHWXFLJT-DZGCQCFKSA-N 1 0 347.419 1.875 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000172048289 442403646 /nfs/dbraw/zinc/40/36/46/442403646.db2.gz MPDJXXUWNRLJNA-AXLMJIKWSA-N 1 0 336.388 1.427 20 5 EDBDRO [NH3+]C[C@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000178545395 442442696 /nfs/dbraw/zinc/44/26/96/442442696.db2.gz GSJDHDZLVRTOAY-CQSZACIVSA-N 1 0 335.407 1.962 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)n1 ZINC000191669410 442487480 /nfs/dbraw/zinc/48/74/80/442487480.db2.gz AAJKLSFWNRXJCA-UHFFFAOYSA-N 1 0 349.391 1.917 20 5 EDBDRO CC[C@]1(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCC[NH2+]1 ZINC000134608453 442500681 /nfs/dbraw/zinc/50/06/81/442500681.db2.gz MYEFYKRFXRYBGM-BLLLJJGKSA-N 1 0 333.392 1.535 20 5 EDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1COc2ccccc2O1 ZINC000179195676 442594430 /nfs/dbraw/zinc/59/44/30/442594430.db2.gz JAOZQJQHHSSVNF-AWEZNQCLSA-N 1 0 345.355 1.528 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000179213652 442597501 /nfs/dbraw/zinc/59/75/01/442597501.db2.gz GUBNADLTFFSFKP-TZMCWYRMSA-N 1 0 343.387 1.980 20 5 EDBDRO C[C@@H]([NH2+]CC(=O)NCCCN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000180420658 442600333 /nfs/dbraw/zinc/60/03/33/442600333.db2.gz GHBFNPPCTJOMOZ-CYBMUJFWSA-N 1 0 348.403 1.374 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173224883 442628157 /nfs/dbraw/zinc/62/81/57/442628157.db2.gz XHVWYLWXPYQDBT-AWEZNQCLSA-N 1 0 344.371 1.314 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000173244507 442631515 /nfs/dbraw/zinc/63/15/15/442631515.db2.gz IBBISBACNKLBAD-GWCFXTLKSA-N 1 0 345.396 1.695 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000181549644 442702939 /nfs/dbraw/zinc/70/29/39/442702939.db2.gz KMCXJCBKADFUHR-DZGCQCFKSA-N 1 0 336.388 1.835 20 5 EDBDRO C[C@@H](CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000182148293 442739910 /nfs/dbraw/zinc/73/99/10/442739910.db2.gz CXSZCPDXPGDHHF-ZDUSSCGKSA-N 1 0 348.403 1.914 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC([NH+]2CCCC2)CC1 ZINC000182243771 442749028 /nfs/dbraw/zinc/74/90/28/442749028.db2.gz QZPONVCLTXDMHB-INIZCTEOSA-N 1 0 349.431 1.895 20 5 EDBDRO CCC1(CO)CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182302503 442755650 /nfs/dbraw/zinc/75/56/50/442755650.db2.gz VXLSELUJVKGUTK-AWEZNQCLSA-N 1 0 338.404 1.819 20 5 EDBDRO Cc1nn(C)c(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C)c1[N+](=O)[O-] ZINC000265477809 442788368 /nfs/dbraw/zinc/78/83/68/442788368.db2.gz RJJUAQATTOKVML-SECBINFHSA-N 1 0 337.409 1.383 20 5 EDBDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000265541406 442816195 /nfs/dbraw/zinc/81/61/95/442816195.db2.gz OYZRMRBCIOOYCD-CYBMUJFWSA-N 1 0 333.388 1.826 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000268158800 442876292 /nfs/dbraw/zinc/87/62/92/442876292.db2.gz IVGRSCCPUNINFG-QMTHXVAHSA-N 1 0 346.387 1.441 20 5 EDBDRO CN(CCC[NH+](C)C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000182028745 318495920 /nfs/dbraw/zinc/49/59/20/318495920.db2.gz VPBAHGHYHVSWJZ-UHFFFAOYSA-N 1 0 331.376 1.804 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000248691040 442917736 /nfs/dbraw/zinc/91/77/36/442917736.db2.gz XWGZTSJYIHUIDX-IACUBPJLSA-N 1 0 339.417 1.569 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000248820769 442927152 /nfs/dbraw/zinc/92/71/52/442927152.db2.gz BLSHFDQTONJJLJ-AGKLADILSA-N 1 0 333.388 1.522 20 5 EDBDRO CN1CC[NH+](CCC(C)(C)NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000184173396 442999002 /nfs/dbraw/zinc/99/90/02/442999002.db2.gz SHSVHDCTYMMXIV-UHFFFAOYSA-N 1 0 348.447 1.670 20 5 EDBDRO Cc1ccc([C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000195066117 442980935 /nfs/dbraw/zinc/98/09/35/442980935.db2.gz WEOYZRBYGWHQNI-HNNXBMFYSA-N 1 0 331.376 1.519 20 5 EDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000265978506 442992050 /nfs/dbraw/zinc/99/20/50/442992050.db2.gz YFXXRMDTNSJBRX-NSHDSACASA-N 1 0 337.376 1.684 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H](O)CC(F)(F)F)C2)nc1 ZINC000189677683 442992300 /nfs/dbraw/zinc/99/23/00/442992300.db2.gz FZYVFOGFKGVPHQ-GXSJLCMTSA-N 1 0 334.298 1.789 20 5 EDBDRO CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268552830 443031267 /nfs/dbraw/zinc/03/12/67/443031267.db2.gz MWCONSUSXFGMQJ-HNNXBMFYSA-N 1 0 343.387 1.524 20 5 EDBDRO CCC[C@@H]([NH2+]C[C@@]1(O)CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000296595353 318710475 /nfs/dbraw/zinc/71/04/75/318710475.db2.gz VHDQTLLHJNBWOM-CABCVRRESA-N 1 0 342.417 1.575 20 5 EDBDRO Cc1cc(F)c(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000296849116 318732155 /nfs/dbraw/zinc/73/21/55/318732155.db2.gz JADRIWJTFWLJKY-VIFPVBQESA-N 1 0 326.328 1.047 20 5 EDBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC([NH2+]CCO)CC1 ZINC000297342429 318761976 /nfs/dbraw/zinc/76/19/76/318761976.db2.gz AZLODQPSFAUTAA-UHFFFAOYSA-N 1 0 346.387 1.702 20 5 EDBDRO C[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266498294 443147326 /nfs/dbraw/zinc/14/73/26/443147326.db2.gz WPTVBSPZIGZDIT-SNVBAGLBSA-N 1 0 330.797 1.999 20 5 EDBDRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000237633692 443177423 /nfs/dbraw/zinc/17/74/23/443177423.db2.gz DIBHIGLCWKHVGT-DTWKUNHWSA-N 1 0 333.797 1.749 20 5 EDBDRO CCCC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC(N)=O ZINC000266507401 443150886 /nfs/dbraw/zinc/15/08/86/443150886.db2.gz CJTNNYTWLQGBCI-UHFFFAOYSA-N 1 0 325.365 1.570 20 5 EDBDRO CCN(CCC[NH+](C)C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000190852141 443195904 /nfs/dbraw/zinc/19/59/04/443195904.db2.gz DCHDCMFQHMAVLS-UHFFFAOYSA-N 1 0 343.449 1.741 20 5 EDBDRO C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCC[NH2+]C1 ZINC000269171079 443221275 /nfs/dbraw/zinc/22/12/75/443221275.db2.gz FMFCLYWIVOXLTK-OLZOCXBDSA-N 1 0 343.387 1.898 20 5 EDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000326303838 318945523 /nfs/dbraw/zinc/94/55/23/318945523.db2.gz AEQZFAQSCCZBKD-AWFCHZOYSA-N 1 0 330.388 1.114 20 5 EDBDRO Cc1c(CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)cccc1[N+](=O)[O-] ZINC000327879092 318946651 /nfs/dbraw/zinc/94/66/51/318946651.db2.gz SNEBXHZXMNQXBB-UHFFFAOYSA-N 1 0 344.375 1.349 20 5 EDBDRO COc1cc(C(=O)N(C)CC(C)(C)C[NH3+])cc([N+](=O)[O-])c1OC ZINC000269201533 443230981 /nfs/dbraw/zinc/23/09/81/443230981.db2.gz WPDWXJMRZSSMSZ-UHFFFAOYSA-N 1 0 325.365 1.669 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000382488599 319123851 /nfs/dbraw/zinc/12/38/51/319123851.db2.gz HIRTWBGBMABAFX-UWVGGRQHSA-N 1 0 329.378 1.009 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000385409319 319127893 /nfs/dbraw/zinc/12/78/93/319127893.db2.gz YPSPGIZJZMYMHD-RNCFNFMXSA-N 1 0 345.808 1.539 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000411662606 319193748 /nfs/dbraw/zinc/19/37/48/319193748.db2.gz BYJJFSMEUUMGND-ZDUSSCGKSA-N 1 0 348.403 1.690 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415808378 319371335 /nfs/dbraw/zinc/37/13/35/319371335.db2.gz LVNVDNMIKRAWAP-NEPJUHHUSA-N 1 0 334.376 1.475 20 5 EDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415871633 319380203 /nfs/dbraw/zinc/38/02/03/319380203.db2.gz QSAJHPWKKNYEGN-SECBINFHSA-N 1 0 340.767 1.445 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000264424033 443286941 /nfs/dbraw/zinc/28/69/41/443286941.db2.gz KTBHPESVHWOEPD-CQSZACIVSA-N 1 0 349.435 1.149 20 5 EDBDRO COc1cc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000269276811 443263618 /nfs/dbraw/zinc/26/36/18/443263618.db2.gz OWTSNDFLTJRKBO-MNOVXSKESA-N 1 0 337.376 1.811 20 5 EDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269657415 443382928 /nfs/dbraw/zinc/38/29/28/443382928.db2.gz FOBWAPLBMZNRCQ-CYBMUJFWSA-N 1 0 336.392 1.089 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000420430894 319618032 /nfs/dbraw/zinc/61/80/32/319618032.db2.gz WPESETHFEDVBOD-YPMHNXCESA-N 1 0 327.406 1.136 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000420439811 319620126 /nfs/dbraw/zinc/62/01/26/319620126.db2.gz GKGWJGHMBHVEOJ-NSHDSACASA-N 1 0 335.332 1.179 20 5 EDBDRO Cc1cc(NCCCN2CCNC(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000278675140 443398540 /nfs/dbraw/zinc/39/85/40/443398540.db2.gz GJAKUUHNLVCPQZ-UHFFFAOYSA-N 1 0 343.387 1.685 20 5 EDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCC[NH+]1CCSCC1 ZINC000264755223 443408301 /nfs/dbraw/zinc/40/83/01/443408301.db2.gz BRTHFNQAIKFHFU-UHFFFAOYSA-N 1 0 339.417 1.529 20 5 EDBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270382663 443469555 /nfs/dbraw/zinc/46/95/55/443469555.db2.gz QCLNRIQUADIPKJ-CHWSQXEVSA-N 1 0 326.378 1.985 20 5 EDBDRO C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000272058374 443524513 /nfs/dbraw/zinc/52/45/13/443524513.db2.gz BQMFRBSNOIZLFJ-STQMWFEESA-N 1 0 348.403 1.182 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000273051276 443528039 /nfs/dbraw/zinc/52/80/39/443528039.db2.gz VFCQQYFSENLRKF-MRXNPFEDSA-N 1 0 346.387 1.642 20 5 EDBDRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000423672458 319800195 /nfs/dbraw/zinc/80/01/95/319800195.db2.gz OEVNVNQTFPUFBF-GMSGAONNSA-N 1 0 328.166 1.919 20 5 EDBDRO O=C(C[NH2+]C[C@@H]1CCCO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423721426 319806871 /nfs/dbraw/zinc/80/68/71/319806871.db2.gz IOCLDDPJLFIPFZ-INIZCTEOSA-N 1 0 333.388 1.854 20 5 EDBDRO CCOC(=O)c1ccnc(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000272196680 443554433 /nfs/dbraw/zinc/55/44/33/443554433.db2.gz NTGOUVKFKFGYPS-YPMHNXCESA-N 1 0 334.376 1.697 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000272199964 443555278 /nfs/dbraw/zinc/55/52/78/443555278.db2.gz AJMIJMHJZLWNNB-OLZOCXBDSA-N 1 0 341.433 1.965 20 5 EDBDRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000286054693 443636506 /nfs/dbraw/zinc/63/65/06/443636506.db2.gz RFMYEWOERRKYEI-HOCLYGCPSA-N 1 0 335.404 1.769 20 5 EDBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000440079559 320061790 /nfs/dbraw/zinc/06/17/90/320061790.db2.gz OLJSZWFDYFQHDY-CYBMUJFWSA-N 1 0 343.449 1.787 20 5 EDBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000440367437 320074550 /nfs/dbraw/zinc/07/45/50/320074550.db2.gz WCEDNCNEZIPKSX-GFCCVEGCSA-N 1 0 327.406 1.666 20 5 EDBDRO Cc1cccc(C(=O)N2CCC([N@@H+](C)C[C@@H](C)O)CC2)c1[N+](=O)[O-] ZINC000444357365 320127348 /nfs/dbraw/zinc/12/73/48/320127348.db2.gz ODXIQBKQZOVDMB-CYBMUJFWSA-N 1 0 335.404 1.820 20 5 EDBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000447933331 320147559 /nfs/dbraw/zinc/14/75/59/320147559.db2.gz TUFLSJYJZMNRBA-AWEZNQCLSA-N 1 0 341.433 1.994 20 5 EDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448974967 320168120 /nfs/dbraw/zinc/16/81/20/320168120.db2.gz FCPWEGFHAFLAGX-ZDUSSCGKSA-N 1 0 329.360 1.605 20 5 EDBDRO CCN1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000449515878 320193275 /nfs/dbraw/zinc/19/32/75/320193275.db2.gz BZZLVKBFMVEQQX-CQSZACIVSA-N 1 0 343.387 1.706 20 5 EDBDRO COc1cc(OCC(=O)N[C@@H](CC[NH3+])C(F)F)ccc1[N+](=O)[O-] ZINC000449612743 320194524 /nfs/dbraw/zinc/19/45/24/320194524.db2.gz OHJCLUYNRLMJMS-VIFPVBQESA-N 1 0 333.291 1.081 20 5 EDBDRO Cn1cc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449715041 320201433 /nfs/dbraw/zinc/20/14/33/320201433.db2.gz IITVJRGPQOSHKL-WCQYABFASA-N 1 0 343.387 1.853 20 5 EDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000449727285 320202440 /nfs/dbraw/zinc/20/24/40/320202440.db2.gz PDSRNRCQKNNPRU-QWRGUYRKSA-N 1 0 330.348 1.033 20 5 EDBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000450387849 320218771 /nfs/dbraw/zinc/21/87/71/320218771.db2.gz KAAMEAJACCDFAS-HOTGVXAUSA-N 1 0 344.371 1.671 20 5 EDBDRO C[C@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000492707005 320383176 /nfs/dbraw/zinc/38/31/76/320383176.db2.gz PUOCWFIVHSCFCT-DANTVBBOSA-N 1 0 347.415 1.912 20 5 EDBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000298171829 443711529 /nfs/dbraw/zinc/71/15/29/443711529.db2.gz ULBURPMVSNXFNB-MRXNPFEDSA-N 1 0 342.399 1.715 20 5 EDBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525694160 320491782 /nfs/dbraw/zinc/49/17/82/320491782.db2.gz PDEDLCSZKQFTDK-LLVKDONJSA-N 1 0 328.394 1.095 20 5 EDBDRO O=C(N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280912817 443772725 /nfs/dbraw/zinc/77/27/25/443772725.db2.gz SJCMSOXAKQMLST-KDOFPFPSSA-N 1 0 344.415 1.633 20 5 EDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000288126598 443779146 /nfs/dbraw/zinc/77/91/46/443779146.db2.gz KJXTULGMRYQZFO-IUODEOHRSA-N 1 0 346.387 1.619 20 5 EDBDRO CCN1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H](C)C1 ZINC000288325893 443845150 /nfs/dbraw/zinc/84/51/50/443845150.db2.gz ICAUNQBJHAXANP-LLVKDONJSA-N 1 0 335.360 1.532 20 5 EDBDRO C[N@H+](CCCOCc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000281273305 443865540 /nfs/dbraw/zinc/86/55/40/443865540.db2.gz FXVFHDXDELZEFO-QGZVFWFLSA-N 1 0 348.403 1.691 20 5 EDBDRO C[C@@H](NC(=O)NCC1(N2CCOCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000277283671 443952040 /nfs/dbraw/zinc/95/20/40/443952040.db2.gz BDIMNWHOAILSCT-CYBMUJFWSA-N 1 0 348.403 1.820 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000285376668 443961401 /nfs/dbraw/zinc/96/14/01/443961401.db2.gz WFLGKEJYKNXELX-UONOGXRCSA-N 1 0 335.360 1.149 20 5 EDBDRO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)N1CCCCCC1 ZINC000285482031 444000744 /nfs/dbraw/zinc/00/07/44/444000744.db2.gz BVGHOMFVCPFNAT-UHFFFAOYSA-N 1 0 337.424 1.904 20 5 EDBDRO COCCOCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000289042538 444040294 /nfs/dbraw/zinc/04/02/94/444040294.db2.gz PTJDOJDTIIEXNF-UHFFFAOYSA-N 1 0 343.355 1.657 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000299522267 444069476 /nfs/dbraw/zinc/06/94/76/444069476.db2.gz PLBUPEUYRVVKLW-ZDUSSCGKSA-N 1 0 337.424 1.726 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC[C@@H](O)C(F)(F)F)c1 ZINC000563888144 321114883 /nfs/dbraw/zinc/11/48/83/321114883.db2.gz MYPNUHHPDZFTOG-ZYHUDNBSSA-N 1 0 338.282 1.237 20 5 EDBDRO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000565538284 321190220 /nfs/dbraw/zinc/19/02/20/321190220.db2.gz CVIGKGVURDRILH-INIZCTEOSA-N 1 0 347.396 1.842 20 5 EDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)COC[C@@H]1CCCO1 ZINC000565672899 321197064 /nfs/dbraw/zinc/19/70/64/321197064.db2.gz NDRJDYRCIVXGGP-HOTGVXAUSA-N 1 0 338.404 1.626 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H](O)COC2CCOCC2)cc1 ZINC000566118529 321217861 /nfs/dbraw/zinc/21/78/61/321217861.db2.gz WUFGAKBDFRDLOC-CQSZACIVSA-N 1 0 340.376 1.120 20 5 EDBDRO COc1cccc([C@H]2C[C@H](O)C[N@@H+]2CCn2ccc([N+](=O)[O-])n2)c1 ZINC000282160972 444102029 /nfs/dbraw/zinc/10/20/29/444102029.db2.gz LSJWFTTVRBVZKZ-DZGCQCFKSA-N 1 0 332.360 1.608 20 5 EDBDRO C[C@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000569521409 321328951 /nfs/dbraw/zinc/32/89/51/321328951.db2.gz FOSVNRUQMGJBGZ-WFASDCNBSA-N 1 0 348.403 1.154 20 5 EDBDRO COCC[N@@H+]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000299666810 444110472 /nfs/dbraw/zinc/11/04/72/444110472.db2.gz OKGCHTIOWVFUSX-UHFFFAOYSA-N 1 0 325.340 1.528 20 5 EDBDRO COc1cc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301411498 444170624 /nfs/dbraw/zinc/17/06/24/444170624.db2.gz PJYYMTBDHALHQY-UHFFFAOYSA-N 1 0 348.403 1.348 20 5 EDBDRO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2csc([N+](=O)[O-])c2)NC(=O)NC1=O ZINC000289510812 444162066 /nfs/dbraw/zinc/16/20/66/444162066.db2.gz GSOOXDORBURDPE-QMTHXVAHSA-N 1 0 338.389 1.609 20 5 EDBDRO COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](C)[NH3+])cc1OC ZINC000574204632 321475843 /nfs/dbraw/zinc/47/58/43/321475843.db2.gz BWUJQGGNAPRDQJ-NXEZZACHSA-N 1 0 341.364 1.094 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+](C)C[C@@H](C)OC)c([N+](=O)[O-])c1 ZINC000285845887 444127656 /nfs/dbraw/zinc/12/76/56/444127656.db2.gz WSHCXIWFTDXIPP-LLVKDONJSA-N 1 0 325.365 1.899 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000299733482 444128451 /nfs/dbraw/zinc/12/84/51/444128451.db2.gz YQSCGXYIZPFBAF-ZDUSSCGKSA-N 1 0 348.403 1.560 20 5 EDBDRO CC1=CC[N@H+](CCNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000302172093 444207003 /nfs/dbraw/zinc/20/70/03/444207003.db2.gz USPVDRIVWRFGIW-UHFFFAOYSA-N 1 0 332.360 1.990 20 5 EDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000289823150 444208007 /nfs/dbraw/zinc/20/80/07/444208007.db2.gz AVNWJHQCIVGAQV-LBPRGKRZSA-N 1 0 343.387 1.933 20 5 EDBDRO Cc1cc(F)c(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000296193078 444211272 /nfs/dbraw/zinc/21/12/72/444211272.db2.gz CMCWIKQXRODRLU-SNVBAGLBSA-N 1 0 340.355 1.437 20 5 EDBDRO C[C@H]1CSC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000286023993 444178833 /nfs/dbraw/zinc/17/88/33/444178833.db2.gz PYWQKADDVZUWDX-GXFFZTMASA-N 1 0 330.431 1.710 20 5 EDBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000301614429 444182164 /nfs/dbraw/zinc/18/21/64/444182164.db2.gz UPGHAANNQVWJTO-GXFFZTMASA-N 1 0 342.421 1.383 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301893390 444195905 /nfs/dbraw/zinc/19/59/05/444195905.db2.gz OXHBIMWASCYGRP-LLVKDONJSA-N 1 0 327.406 1.529 20 5 EDBDRO C[C@H](Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)C(C)(C)C[NH+](C)C ZINC000302128741 444205249 /nfs/dbraw/zinc/20/52/49/444205249.db2.gz BJYPSKHWRBDIMA-JTQLQIEISA-N 1 0 344.437 1.630 20 5 EDBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290252223 444259340 /nfs/dbraw/zinc/25/93/40/444259340.db2.gz WNGURNKOJSRUDJ-QWRGUYRKSA-N 1 0 342.355 1.530 20 5 EDBDRO Cn1cc(C[C@@H]2CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000305170492 444262387 /nfs/dbraw/zinc/26/23/87/444262387.db2.gz JLHTZKYTLUQJKJ-GUYCJALGSA-N 1 0 330.388 1.926 20 5 EDBDRO O=C1C[C@H]([C@H]2CCCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)CN1 ZINC000305721734 444275328 /nfs/dbraw/zinc/27/53/28/444275328.db2.gz IMKLKHHMYULLIG-IMJJTQAJSA-N 1 0 333.388 1.619 20 5 EDBDRO CC[C@H](C)[N@H+](C)CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000290551416 444294439 /nfs/dbraw/zinc/29/44/39/444294439.db2.gz JNMSVRPQTYCZEE-JTQLQIEISA-N 1 0 330.410 1.384 20 5 EDBDRO Cc1ccc2[nH]c(C[NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)nc2c1 ZINC000580435447 322051236 /nfs/dbraw/zinc/05/12/36/322051236.db2.gz ZXBCPWFMAVNSEO-GFCCVEGCSA-N 1 0 330.348 1.127 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000332120002 444501344 /nfs/dbraw/zinc/50/13/44/444501344.db2.gz FLQQNKFSWOEWFQ-CVEARBPZSA-N 1 0 348.403 1.247 20 5 EDBDRO Cc1cc(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)ccc1[N+](=O)[O-] ZINC000581250560 322154872 /nfs/dbraw/zinc/15/48/72/322154872.db2.gz OTDUFYBOYWWPBQ-AWEZNQCLSA-N 1 0 333.388 1.731 20 5 EDBDRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000581368934 322169734 /nfs/dbraw/zinc/16/97/34/322169734.db2.gz SFSRCXALCLYGRP-HOCLYGCPSA-N 1 0 333.388 1.953 20 5 EDBDRO NC(=O)[C@H](Cc1ccccc1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000581852805 322224134 /nfs/dbraw/zinc/22/41/34/322224134.db2.gz UVKRUGSYVLEVQB-INIZCTEOSA-N 1 0 329.356 1.660 20 5 EDBDRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000581943022 322235941 /nfs/dbraw/zinc/23/59/41/322235941.db2.gz IUVFOQGROWIGJN-LBPRGKRZSA-N 1 0 327.406 1.138 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000342216258 444570258 /nfs/dbraw/zinc/57/02/58/444570258.db2.gz CWGKGCBZJGLUKM-GFCCVEGCSA-N 1 0 337.376 1.822 20 5 EDBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000338582819 444755538 /nfs/dbraw/zinc/75/55/38/444755538.db2.gz QDTNORIPZLGCOX-OAHLLOKOSA-N 1 0 348.403 1.267 20 5 EDBDRO COC(=O)c1cn(CC[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)nn1 ZINC000341280939 444759774 /nfs/dbraw/zinc/75/97/74/444759774.db2.gz WTZKHMWEUJIHOO-XYOKQWHBSA-N 1 0 345.359 1.666 20 5 EDBDRO C[NH+](C)CCn1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)n1 ZINC000338817160 444868105 /nfs/dbraw/zinc/86/81/05/444868105.db2.gz SIQMEULZXAKBCK-UHFFFAOYSA-N 1 0 342.359 2.087 20 5 EDBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000341850337 445033657 /nfs/dbraw/zinc/03/36/57/445033657.db2.gz FJOWFLKWZACHEO-CZUORRHYSA-N 1 0 332.404 1.441 20 5 EDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000330459842 444990060 /nfs/dbraw/zinc/99/00/60/444990060.db2.gz ZZRIGYMMEXTZNN-CHWSQXEVSA-N 1 0 337.424 1.763 20 5 EDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC[C@H]1n1ccnn1 ZINC000344462270 444991284 /nfs/dbraw/zinc/99/12/84/444991284.db2.gz UXSSAHYTPRPZSC-XNRPHZJLSA-N 1 0 331.376 1.737 20 5 EDBDRO O=C(CC[N@H+]1CCSC[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000337329581 445034991 /nfs/dbraw/zinc/03/49/91/445034991.db2.gz ZVSVQQZHOCITDN-LLVKDONJSA-N 1 0 325.390 1.333 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000337403935 445064707 /nfs/dbraw/zinc/06/47/07/445064707.db2.gz KZDHACNCAGCDCA-VXGBXAGGSA-N 1 0 331.319 1.897 20 5 EDBDRO C[C@H]1OCC[C@@H]1[N@H+](CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337456274 445089593 /nfs/dbraw/zinc/08/95/93/445089593.db2.gz HYSFAUSPBRFKSX-OCCSQVGLSA-N 1 0 337.376 1.395 20 5 EDBDRO CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000343559421 445243798 /nfs/dbraw/zinc/24/37/98/445243798.db2.gz UNAZQXIOJFVEAD-LSDHHAIUSA-N 1 0 335.404 1.503 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(N3CCC[C@H]3C[N@H+]3CCC[C@@H]3CO)nn21 ZINC000362408123 445364583 /nfs/dbraw/zinc/36/45/83/445364583.db2.gz RHSDDAOTMFCHGI-QWHCGFSZSA-N 1 0 346.391 1.063 20 5 EDBDRO C[NH+]1CCN(c2ccc(CNc3ccc([N+](=O)[O-])nc3)cn2)CC1 ZINC000348881488 445428609 /nfs/dbraw/zinc/42/86/09/445428609.db2.gz QYRWCIDIYHSYOL-UHFFFAOYSA-N 1 0 328.376 1.749 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](CO)C1CCOCC1 ZINC000359869501 445467916 /nfs/dbraw/zinc/46/79/16/445467916.db2.gz FZUWNGGBGDUIPD-CYBMUJFWSA-N 1 0 337.376 1.219 20 5 EDBDRO COC(=O)C[C@@H]1CSCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000355968586 445550188 /nfs/dbraw/zinc/55/01/88/445550188.db2.gz JCDWNYPCNLROPP-CYBMUJFWSA-N 1 0 340.401 1.954 20 5 EDBDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000353484126 445623719 /nfs/dbraw/zinc/62/37/19/445623719.db2.gz QBCDHYFVGAMJRY-BJJXKVORSA-N 1 0 347.419 1.637 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000349799070 445680734 /nfs/dbraw/zinc/68/07/34/445680734.db2.gz KDUOZJIXDVMGAU-LBPRGKRZSA-N 1 0 329.422 1.910 20 5 EDBDRO Cn1ccnc1[C@@H](NCCOCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000353672346 445701710 /nfs/dbraw/zinc/70/17/10/445701710.db2.gz QIRJKAPKEYQSDF-INIZCTEOSA-N 1 0 347.419 1.586 20 5 EDBDRO COc1cc(C(=O)N[C@H](C)CC[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000349965992 445736781 /nfs/dbraw/zinc/73/67/81/445736781.db2.gz RRCIYBMCUVLLDI-SSDOTTSWSA-N 1 0 333.291 1.672 20 5 EDBDRO COC(=O)COc1ccc(C[N@H+]2C[C@H](CO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000361660577 445865984 /nfs/dbraw/zinc/86/59/84/445865984.db2.gz LCRGLBNSSJTVJZ-DGCLKSJQSA-N 1 0 338.360 1.207 20 5 EDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000583489176 326081752 /nfs/dbraw/zinc/08/17/52/326081752.db2.gz ZRFJVDOYPWBPCV-CQSZACIVSA-N 1 0 336.392 1.757 20 5 EDBDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000583802649 326142173 /nfs/dbraw/zinc/14/21/73/326142173.db2.gz VZAIXOWGIYCZEO-CYBMUJFWSA-N 1 0 348.403 1.113 20 5 EDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000359231017 446062171 /nfs/dbraw/zinc/06/21/71/446062171.db2.gz PTLGKFRJWMFFON-CQSZACIVSA-N 1 0 344.375 1.390 20 5 EDBDRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000369309804 446064383 /nfs/dbraw/zinc/06/43/83/446064383.db2.gz IFOYMCUDNWKNTF-HNNXBMFYSA-N 1 0 346.431 1.694 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@H]12 ZINC000351476537 446077703 /nfs/dbraw/zinc/07/77/03/446077703.db2.gz LAHOEYFIZSAGOT-VHDGCEQUSA-N 1 0 330.388 1.153 20 5 EDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000356873349 446086020 /nfs/dbraw/zinc/08/60/20/446086020.db2.gz GZVQXOXYEOSYKW-VXGBXAGGSA-N 1 0 349.387 1.460 20 5 EDBDRO C[C@@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000369350886 446092903 /nfs/dbraw/zinc/09/29/03/446092903.db2.gz XRCQWPSIYXKIPR-RISCZKNCSA-N 1 0 329.360 1.784 20 5 EDBDRO C[C@H]1C[C@@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCN1C ZINC000354342996 446127277 /nfs/dbraw/zinc/12/72/77/446127277.db2.gz ZVQLVZGVFXQBAO-IUCAKERBSA-N 1 0 333.435 1.954 20 5 EDBDRO CCO[C@@H]1COCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000362024266 446161213 /nfs/dbraw/zinc/16/12/13/446161213.db2.gz JGRDTYCEWQECQH-WOSRLPQWSA-N 1 0 340.376 1.118 20 5 EDBDRO CCO[C@H]1COCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000362011441 446150815 /nfs/dbraw/zinc/15/08/15/446150815.db2.gz FGMSXHAAMQQESH-GJZGRUSLSA-N 1 0 337.376 1.625 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366421584 446205723 /nfs/dbraw/zinc/20/57/23/446205723.db2.gz DRRBZEDJGUOTOD-ITGUQSILSA-N 1 0 335.360 1.102 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000366537835 446253455 /nfs/dbraw/zinc/25/34/55/446253455.db2.gz WURWHJLSOKNLEN-BLLLJJGKSA-N 1 0 330.388 1.629 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@H]1Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000420247815 446430418 /nfs/dbraw/zinc/43/04/18/446430418.db2.gz VSKDPUHFRQTYAP-SMDDNHRTSA-N 1 0 343.387 1.969 20 5 EDBDRO Cc1cnc(NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000420248979 446431900 /nfs/dbraw/zinc/43/19/00/446431900.db2.gz WXKBHEQQXJINQE-NSHDSACASA-N 1 0 333.314 1.546 20 5 EDBDRO NS(=O)(=O)c1ccc(NC[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420286689 446450825 /nfs/dbraw/zinc/45/08/25/446450825.db2.gz QPXQTRAAXLEZSL-UWVGGRQHSA-N 1 0 328.394 1.172 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000375025770 446523033 /nfs/dbraw/zinc/52/30/33/446523033.db2.gz ZRENIFOFPPRGOK-LRDDRELGSA-N 1 0 348.403 1.568 20 5 EDBDRO Cn1cc([C@@H]2[C@@H](CNC(=O)c3ccc([N+](=O)[O-])o3)CCC[N@@H+]2C)cn1 ZINC000370929988 446527367 /nfs/dbraw/zinc/52/73/67/446527367.db2.gz XRICXIWGACGPAE-ABAIWWIYSA-N 1 0 347.375 1.734 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000375034732 446529677 /nfs/dbraw/zinc/52/96/77/446529677.db2.gz DGBYYZNJXDZXFL-RHSMWYFYSA-N 1 0 344.415 1.510 20 5 EDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420353543 446533745 /nfs/dbraw/zinc/53/37/45/446533745.db2.gz BDBYSYGPSYGFCU-CXAGYDPISA-N 1 0 332.404 1.997 20 5 EDBDRO O=C1[C@@H](N2CCC[C@@]3(CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420360606 446540849 /nfs/dbraw/zinc/54/08/49/446540849.db2.gz GJZKOMOPWFYKNE-WMZOPIPTSA-N 1 0 344.415 1.776 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420405754 446578338 /nfs/dbraw/zinc/57/83/38/446578338.db2.gz PLQVZXWMMWXAAI-DOMZBBRYSA-N 1 0 341.433 1.669 20 5 EDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000418589123 446605417 /nfs/dbraw/zinc/60/54/17/446605417.db2.gz SJTXFKHASPRLBX-KBPBESRZSA-N 1 0 347.419 1.696 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000420470915 446646948 /nfs/dbraw/zinc/64/69/48/446646948.db2.gz QYKGODVMAVVOMX-RYUDHWBXSA-N 1 0 327.406 1.699 20 5 EDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000418730049 446657569 /nfs/dbraw/zinc/65/75/69/446657569.db2.gz SAYNYAQPJKVSGB-OLZOCXBDSA-N 1 0 348.403 1.885 20 5 EDBDRO NC(=O)C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000368135579 446660753 /nfs/dbraw/zinc/66/07/53/446660753.db2.gz QSDHCJGMOQYUAE-SECBINFHSA-N 1 0 329.303 1.894 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000420453365 446629711 /nfs/dbraw/zinc/62/97/11/446629711.db2.gz JZEQOPMWQJBPCF-DGCLKSJQSA-N 1 0 327.406 1.184 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000423667639 446633890 /nfs/dbraw/zinc/63/38/90/446633890.db2.gz KNOXOGHJDBPIHG-VXNVDRBHSA-N 1 0 345.302 1.767 20 5 EDBDRO Cc1c(CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)cccc1[N+](=O)[O-] ZINC000423812755 446702421 /nfs/dbraw/zinc/70/24/21/446702421.db2.gz RGXBNSKKQJTAFN-HNNXBMFYSA-N 1 0 343.387 1.954 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000453944916 446720586 /nfs/dbraw/zinc/72/05/86/446720586.db2.gz XGPACHRZSWCBIX-RISCZKNCSA-N 1 0 332.360 1.004 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000619253778 450435270 /nfs/dbraw/zinc/43/52/70/450435270.db2.gz FSKRMFDYKBXRFY-MRXNPFEDSA-N 1 0 337.376 1.132 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423937874 446788558 /nfs/dbraw/zinc/78/85/58/446788558.db2.gz GWBCRHVAAKDODJ-KGLIPLIRSA-N 1 0 333.388 1.964 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1 ZINC000412033497 446795828 /nfs/dbraw/zinc/79/58/28/446795828.db2.gz FMLNQNCHPZSISF-LQKXBSAESA-N 1 0 336.388 1.427 20 5 EDBDRO Cc1n[nH]cc1C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000375349972 446741497 /nfs/dbraw/zinc/74/14/97/446741497.db2.gz RLHIMQSWDVFBLS-CQSZACIVSA-N 1 0 334.380 1.063 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000424007219 446819327 /nfs/dbraw/zinc/81/93/27/446819327.db2.gz VANURBDUXHQWOK-BXUZGUMPSA-N 1 0 348.403 1.076 20 5 EDBDRO Cc1c(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)cccc1[N+](=O)[O-] ZINC000454194271 446803927 /nfs/dbraw/zinc/80/39/27/446803927.db2.gz FQLIDSGCGAMUSE-CYBMUJFWSA-N 1 0 336.392 1.872 20 5 EDBDRO Nc1c(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000368544964 446934864 /nfs/dbraw/zinc/93/48/64/446934864.db2.gz STXMFQFSDMOPQA-IACUBPJLSA-N 1 0 330.388 1.733 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC12CCOCC2 ZINC000371688238 446947236 /nfs/dbraw/zinc/94/72/36/446947236.db2.gz FEZIFLDEUSXILJ-AWEZNQCLSA-N 1 0 336.388 1.980 20 5 EDBDRO CC[C@H](NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000419161134 446977720 /nfs/dbraw/zinc/97/77/20/446977720.db2.gz IHNGGBLLWYGDSX-DOMZBBRYSA-N 1 0 348.403 1.278 20 5 EDBDRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CN1 ZINC000377394220 447109369 /nfs/dbraw/zinc/10/93/69/447109369.db2.gz ALHLUISQILAHCL-OCCSQVGLSA-N 1 0 348.359 1.994 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)C(C)C ZINC000444177971 447089015 /nfs/dbraw/zinc/08/90/15/447089015.db2.gz UOUIAQBFNCOSFW-UHFFFAOYSA-N 1 0 345.421 1.612 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000444175211 447089320 /nfs/dbraw/zinc/08/93/20/447089320.db2.gz JLAJORMFCKZUTE-UHFFFAOYSA-N 1 0 343.449 1.787 20 5 EDBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000368855353 447162228 /nfs/dbraw/zinc/16/22/28/447162228.db2.gz JWSDTMYVWLLUJZ-AWEZNQCLSA-N 1 0 339.417 1.595 20 5 EDBDRO C[N@@H+]1CCC[C@H](CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000413450036 447188200 /nfs/dbraw/zinc/18/82/00/447188200.db2.gz XXGOINXETUKBRA-LLVKDONJSA-N 1 0 342.421 1.386 20 5 EDBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])cn2)(N2CCOCC2)CC1 ZINC000413474635 447194197 /nfs/dbraw/zinc/19/41/97/447194197.db2.gz BUUKTDDMXXKIEF-UHFFFAOYSA-N 1 0 335.408 1.198 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000375990307 447196421 /nfs/dbraw/zinc/19/64/21/447196421.db2.gz KTIUKGPVPBNRJW-UHFFFAOYSA-N 1 0 329.360 1.774 20 5 EDBDRO O=C(CN1CC[C@H]2OCC[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000376045773 447231685 /nfs/dbraw/zinc/23/16/85/447231685.db2.gz GTEPRCZJFNSXHG-XJKSGUPXSA-N 1 0 331.372 1.595 20 5 EDBDRO Cc1ncc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(=O)[nH]1 ZINC000447599572 447280305 /nfs/dbraw/zinc/28/03/05/447280305.db2.gz KKUDJDBHKNJADI-CHWSQXEVSA-N 1 0 332.364 1.869 20 5 EDBDRO C[NH+](C)C[C@](C)(O)CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450398940 447476551 /nfs/dbraw/zinc/47/65/51/447476551.db2.gz BDWAEJXRSKSZKF-OAHLLOKOSA-N 1 0 336.417 2.443 20 5 EDBDRO COc1cc(C(=O)N[C@H](C[NH3+])CC(C)C)c([N+](=O)[O-])cc1OC ZINC000389915355 447488326 /nfs/dbraw/zinc/48/83/26/447488326.db2.gz CTBDTNKJBRVMEG-JTQLQIEISA-N 1 0 325.365 1.715 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000415484787 447472582 /nfs/dbraw/zinc/47/25/82/447472582.db2.gz IMPWLZPILUSNOB-ZDUSSCGKSA-N 1 0 336.392 1.674 20 5 EDBDRO C[C@@H]1CN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000420201753 447667835 /nfs/dbraw/zinc/66/78/35/447667835.db2.gz NJGKSHLOPMLPQP-LLVKDONJSA-N 1 0 329.360 1.357 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000420241574 447683963 /nfs/dbraw/zinc/68/39/63/447683963.db2.gz LYLIYZZTCBMVTF-LLVKDONJSA-N 1 0 333.314 1.546 20 5 EDBDRO CON1CCC([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000459588701 447715737 /nfs/dbraw/zinc/71/57/37/447715737.db2.gz PFYRAKYXVJABNP-UHFFFAOYSA-N 1 0 336.392 1.799 20 5 EDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000422769204 447745650 /nfs/dbraw/zinc/74/56/50/447745650.db2.gz VEWFAZLDIIPXGS-ZDUSSCGKSA-N 1 0 348.403 1.161 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000422833582 447763227 /nfs/dbraw/zinc/76/32/27/447763227.db2.gz YZJUHRMCJTVKQZ-PHIMTYICSA-N 1 0 335.360 1.594 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@]2(C)CO)cc1[N+](=O)[O-] ZINC000530442667 447888724 /nfs/dbraw/zinc/88/87/24/447888724.db2.gz LFJSSNXQPMKMEB-INIZCTEOSA-N 1 0 338.360 1.493 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[N@@H+]1C1CC1 ZINC000530767565 447952627 /nfs/dbraw/zinc/95/26/27/447952627.db2.gz QGENBSLUEMYRHA-QWRGUYRKSA-N 1 0 347.371 1.721 20 5 EDBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576172088 447991367 /nfs/dbraw/zinc/99/13/67/447991367.db2.gz CZWOPZVHRLPSGC-GXFFZTMASA-N 1 0 327.406 1.500 20 5 EDBDRO CN1CC[NH+](CCCCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000491478892 448038696 /nfs/dbraw/zinc/03/86/96/448038696.db2.gz NWXCZTAAOAJISX-TWGQIWQCSA-N 1 0 346.431 1.752 20 5 EDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000525726899 448017748 /nfs/dbraw/zinc/01/77/48/448017748.db2.gz XGSRHOHBCJAYIM-LLVKDONJSA-N 1 0 335.360 1.880 20 5 EDBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000514792035 448204583 /nfs/dbraw/zinc/20/45/83/448204583.db2.gz GDNBDIPRYYAOAJ-IUODEOHRSA-N 1 0 335.404 1.871 20 5 EDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000591021786 448235956 /nfs/dbraw/zinc/23/59/56/448235956.db2.gz IFOUGIKRUKVUEN-CYBMUJFWSA-N 1 0 348.403 1.832 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000492746855 448276985 /nfs/dbraw/zinc/27/69/85/448276985.db2.gz BWHANFVERPHMOP-XQYKZARXSA-N 1 0 333.388 1.522 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000591292145 448309585 /nfs/dbraw/zinc/30/95/85/448309585.db2.gz WIKJMGSJBRJDFZ-LBPRGKRZSA-N 1 0 334.376 1.347 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591305188 448316706 /nfs/dbraw/zinc/31/67/06/448316706.db2.gz XULKRVJPNGVYQJ-STQMWFEESA-N 1 0 346.387 1.361 20 5 EDBDRO CC[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000572150858 448303990 /nfs/dbraw/zinc/30/39/90/448303990.db2.gz STMQMJZVCSTLAV-GFCCVEGCSA-N 1 0 336.392 1.568 20 5 EDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CCN(CC(F)F)C1)OCCO2 ZINC000591357681 448341480 /nfs/dbraw/zinc/34/14/80/448341480.db2.gz GVWFCKHUZMQZRD-NSHDSACASA-N 1 0 343.330 1.795 20 5 EDBDRO O=C(NCC[NH2+]C1CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000591359015 448341735 /nfs/dbraw/zinc/34/17/35/448341735.db2.gz AAVXBNXWERHHII-UHFFFAOYSA-N 1 0 333.392 1.178 20 5 EDBDRO O=C(N[C@H]1CCC[NH2+]CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000591360369 448344177 /nfs/dbraw/zinc/34/41/77/448344177.db2.gz NTEPVULIKDSPLC-AWEZNQCLSA-N 1 0 347.419 1.569 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000566224534 448419061 /nfs/dbraw/zinc/41/90/61/448419061.db2.gz PUKWJSKURPKNKX-AAEUAGOBSA-N 1 0 341.433 1.763 20 5 EDBDRO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@@H+]1C ZINC000583060326 448412380 /nfs/dbraw/zinc/41/23/80/448412380.db2.gz IWRLPTMCIHVCHG-CQSZACIVSA-N 1 0 349.387 1.778 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1 ZINC000516571046 448441423 /nfs/dbraw/zinc/44/14/23/448441423.db2.gz LIMPELNRIOEQPF-BRWVUGGUSA-N 1 0 335.404 1.720 20 5 EDBDRO COc1cccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000591728750 448474898 /nfs/dbraw/zinc/47/48/98/448474898.db2.gz BZADZPNZYSKJTE-ZDUSSCGKSA-N 1 0 333.344 1.528 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000584350636 448493841 /nfs/dbraw/zinc/49/38/41/448493841.db2.gz VXGQCIBEFFMGIA-CMPLNLGQSA-N 1 0 337.376 1.669 20 5 EDBDRO O=C(C[C@@H]1CSCC[NH2+]1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000584345540 448490385 /nfs/dbraw/zinc/49/03/85/448490385.db2.gz WLJZTVRBGJCDMC-LLVKDONJSA-N 1 0 325.390 1.185 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccnc(C(F)(F)F)c2)c1 ZINC000573200109 448565995 /nfs/dbraw/zinc/56/59/95/448565995.db2.gz XODLYQYMLMESLM-LLVKDONJSA-N 1 0 345.281 1.356 20 5 EDBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000517756380 448616149 /nfs/dbraw/zinc/61/61/49/448616149.db2.gz HTTVDNIRGIIWBR-BPUTZDHNSA-N 1 0 335.404 1.297 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000592007293 448622295 /nfs/dbraw/zinc/62/22/95/448622295.db2.gz DMXGDHACGXUHPD-KBPBESRZSA-N 1 0 333.392 1.027 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCCCO2)cc1 ZINC000519024996 448733449 /nfs/dbraw/zinc/73/34/49/448733449.db2.gz ACIFVCCMEYZDTC-CYBMUJFWSA-N 1 0 328.390 1.527 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1c1nc([C@H]2CCC[NH2+]2)no1 ZINC000592356633 448803831 /nfs/dbraw/zinc/80/38/31/448803831.db2.gz BQYCMKPSTZAWRO-NXEZZACHSA-N 1 0 347.331 1.973 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC(C)([NH3+])CC2)c1C ZINC000592379581 448812865 /nfs/dbraw/zinc/81/28/65/448812865.db2.gz LUYSLJVFCRPMBC-UHFFFAOYSA-N 1 0 327.406 1.714 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCO1 ZINC000592475161 448852965 /nfs/dbraw/zinc/85/29/65/448852965.db2.gz YLOPTAFKRHRXOY-MFKMUULPSA-N 1 0 333.348 1.193 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2CCC(C)([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000592485008 448856996 /nfs/dbraw/zinc/85/69/96/448856996.db2.gz MXVQQIBHROUKLL-NSHDSACASA-N 1 0 336.392 1.744 20 5 EDBDRO CC1([NH3+])CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000592484411 448855803 /nfs/dbraw/zinc/85/58/03/448855803.db2.gz BCNVHTFUEKBBOG-UHFFFAOYSA-N 1 0 326.784 2.000 20 5 EDBDRO CC[C@@H]1CN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592485483 448857222 /nfs/dbraw/zinc/85/72/22/448857222.db2.gz BRJRMGAXKMJTNZ-DGCLKSJQSA-N 1 0 336.392 1.601 20 5 EDBDRO CNc1ccc(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000592540738 448888684 /nfs/dbraw/zinc/88/86/84/448888684.db2.gz KHYHKACBKDNAEO-UHFFFAOYSA-N 1 0 327.344 1.930 20 5 EDBDRO Cc1c(C[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000569232393 448984979 /nfs/dbraw/zinc/98/49/79/448984979.db2.gz WGNQWYWPEZXQDP-IOASZLSFSA-N 1 0 337.420 1.463 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588861304 448941757 /nfs/dbraw/zinc/94/17/57/448941757.db2.gz PREJCIMCZAOBDD-HUUCEWRRSA-N 1 0 347.415 1.801 20 5 EDBDRO Cc1sc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588863056 448942858 /nfs/dbraw/zinc/94/28/58/448942858.db2.gz ONPAWKCUCHWPSS-WDEREUQCSA-N 1 0 325.390 1.246 20 5 EDBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588863579 448943363 /nfs/dbraw/zinc/94/33/63/448943363.db2.gz QLVYUKZZXGDLHN-GHMZBOCLSA-N 1 0 339.779 1.529 20 5 EDBDRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1Cl ZINC000569338928 449005385 /nfs/dbraw/zinc/00/53/85/449005385.db2.gz VSOXCBJTGMAUBA-HNNXBMFYSA-N 1 0 339.779 1.435 20 5 EDBDRO C[NH+](C)Cc1cc(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])ccc1F ZINC000548386188 449037205 /nfs/dbraw/zinc/03/72/05/449037205.db2.gz NZGFKNVSEJIIBG-UHFFFAOYSA-N 1 0 347.350 1.703 20 5 EDBDRO CC(C)[N@H+](C)C[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000589601308 449038316 /nfs/dbraw/zinc/03/83/16/449038316.db2.gz JDROZPDCHQLWJG-NSHDSACASA-N 1 0 335.408 1.926 20 5 EDBDRO CC[NH+]1CCN(CCNC(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000522186871 449061639 /nfs/dbraw/zinc/06/16/39/449061639.db2.gz LAIZOJZDIQKUSU-UHFFFAOYSA-N 1 0 335.408 1.004 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000599891162 449101676 /nfs/dbraw/zinc/10/16/76/449101676.db2.gz ZNESGPLHGGBPRS-CQSZACIVSA-N 1 0 334.376 1.298 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C2(CO)CCSCC2)c1 ZINC000593033306 449109136 /nfs/dbraw/zinc/10/91/36/449109136.db2.gz NAESDXRYECTJGE-UHFFFAOYSA-N 1 0 340.401 1.729 20 5 EDBDRO COc1ccc2c(c1)CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595760141 449152737 /nfs/dbraw/zinc/15/27/37/449152737.db2.gz RJOFMDSQSAOLJM-OAHLLOKOSA-N 1 0 332.360 1.219 20 5 EDBDRO COC(=O)c1cc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000593188047 449163677 /nfs/dbraw/zinc/16/36/77/449163677.db2.gz UOSJPPGOBNRXCD-IJLUTSLNSA-N 1 0 349.387 1.935 20 5 EDBDRO COC(=O)c1cc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000593188045 449164044 /nfs/dbraw/zinc/16/40/44/449164044.db2.gz UOSJPPGOBNRXCD-GRYCIOLGSA-N 1 0 349.387 1.935 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000595791516 449168546 /nfs/dbraw/zinc/16/85/46/449168546.db2.gz VBANVTJVXROPBO-IMJJTQAJSA-N 1 0 338.408 1.433 20 5 EDBDRO C[C@@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H](C)[C@H]1O ZINC000595737459 449139924 /nfs/dbraw/zinc/13/99/24/449139924.db2.gz CMEFWUPLPQNLDU-ATCWAGBWSA-N 1 0 349.387 1.842 20 5 EDBDRO CN(CC[NH+]1CCCCC1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000593113325 449141638 /nfs/dbraw/zinc/14/16/38/449141638.db2.gz YZPPLFVRFBDHHS-UHFFFAOYSA-N 1 0 346.431 1.902 20 5 EDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1cnn(-c3ccc([N+](=O)[O-])cc3)c1)C2 ZINC000590537122 449180880 /nfs/dbraw/zinc/18/08/80/449180880.db2.gz AHUVIOUEGDXRGF-UHFFFAOYSA-N 1 0 341.371 1.558 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000604243240 449197837 /nfs/dbraw/zinc/19/78/37/449197837.db2.gz OEOJFUFTDQPXOX-MNOVXSKESA-N 1 0 333.344 1.680 20 5 EDBDRO Cc1cc(S(=O)(=O)NC2CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000590589689 449205132 /nfs/dbraw/zinc/20/51/32/449205132.db2.gz MKLGLBGEYDPQNK-UHFFFAOYSA-N 1 0 331.369 1.415 20 5 EDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000590751814 449272313 /nfs/dbraw/zinc/27/23/13/449272313.db2.gz HYPXYCYPVGODBU-ILXRZTDVSA-N 1 0 347.371 1.631 20 5 EDBDRO C[NH+](C)CC1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000611280813 449248406 /nfs/dbraw/zinc/24/84/06/449248406.db2.gz OBCRCGVDQVWAGV-UHFFFAOYSA-N 1 0 347.462 1.838 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000595922566 449255571 /nfs/dbraw/zinc/25/55/71/449255571.db2.gz HMCHQVLGXRBZAA-LLVKDONJSA-N 1 0 345.359 1.204 20 5 EDBDRO O=[N+]([O-])c1ccc2ncnc(NC[C@H]3CCCC[N@H+]3CCO)c2c1 ZINC000590709123 449255579 /nfs/dbraw/zinc/25/55/79/449255579.db2.gz IHHKLQUKUPGCIO-CYBMUJFWSA-N 1 0 331.376 1.797 20 5 EDBDRO C[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000611335583 449265683 /nfs/dbraw/zinc/26/56/83/449265683.db2.gz RDGLHOVGWJDRSV-LBPRGKRZSA-N 1 0 327.406 1.671 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCN1CCCS1(=O)=O ZINC000611335573 449265894 /nfs/dbraw/zinc/26/58/94/449265894.db2.gz NTMKFBGAIMIURO-ZDUSSCGKSA-N 1 0 341.433 1.979 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CC2C[NH+](C)C2)cc1OC ZINC000598162611 449267230 /nfs/dbraw/zinc/26/72/30/449267230.db2.gz KCJYNLZFQNJDMN-UHFFFAOYSA-N 1 0 337.376 1.636 20 5 EDBDRO C[C@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@]1(C)CO ZINC000595875180 449225450 /nfs/dbraw/zinc/22/54/50/449225450.db2.gz PZAYYHPFOUJMOA-YVEFUNNKSA-N 1 0 349.387 1.843 20 5 EDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593453545 449291571 /nfs/dbraw/zinc/29/15/71/449291571.db2.gz XRRHZWVILIIHDE-AWEZNQCLSA-N 1 0 339.367 1.503 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@@]2(C)CC[NH2+]C2)c1 ZINC000595987382 449299413 /nfs/dbraw/zinc/29/94/13/449299413.db2.gz UVZXEHVMBKITCW-KRWDZBQOSA-N 1 0 343.387 1.630 20 5 EDBDRO C[NH+](C)CC1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000602071510 449321868 /nfs/dbraw/zinc/32/18/68/449321868.db2.gz UWTUISVROCQFFX-UHFFFAOYSA-N 1 0 332.404 1.585 20 5 EDBDRO Nc1cc(N2CC[NH+](Cc3ccccc3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000611525299 449321887 /nfs/dbraw/zinc/32/18/87/449321887.db2.gz VQPBPYFXHQSNED-UHFFFAOYSA-N 1 0 342.399 1.992 20 5 EDBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593551537 449341899 /nfs/dbraw/zinc/34/18/99/449341899.db2.gz ICUPAGQVUNVGMV-LBPRGKRZSA-N 1 0 342.421 1.342 20 5 EDBDRO CO[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000596066840 449345825 /nfs/dbraw/zinc/34/58/25/449345825.db2.gz SOBWZFVBCOKECD-LSDHHAIUSA-N 1 0 326.397 1.337 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000598341911 449356985 /nfs/dbraw/zinc/35/69/85/449356985.db2.gz IBMBZSLQKSGCRS-CQSZACIVSA-N 1 0 343.387 1.995 20 5 EDBDRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000596049313 449336145 /nfs/dbraw/zinc/33/61/45/449336145.db2.gz DOWSGGZZCZBSEK-SNVBAGLBSA-N 1 0 341.311 1.246 20 5 EDBDRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000596050059 449337277 /nfs/dbraw/zinc/33/72/77/449337277.db2.gz HXPVLOWJFOXAKJ-SECBINFHSA-N 1 0 327.284 1.105 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000598451898 449401585 /nfs/dbraw/zinc/40/15/85/449401585.db2.gz FKSIVLUZQNAJKW-AWEZNQCLSA-N 1 0 333.388 1.574 20 5 EDBDRO Cc1nn(CCC(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)c(C)c1[N+](=O)[O-] ZINC000602172107 449403006 /nfs/dbraw/zinc/40/30/06/449403006.db2.gz NFWUEVJWEZRCTJ-OLZOCXBDSA-N 1 0 337.424 1.643 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594318073 449446617 /nfs/dbraw/zinc/44/66/17/449446617.db2.gz KDVUYUQQSLRCJR-BETUJISGSA-N 1 0 348.403 1.607 20 5 EDBDRO CC(C)[C@@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[NH2+]1 ZINC000598574757 449471655 /nfs/dbraw/zinc/47/16/55/449471655.db2.gz SZZDUZIHXYRGGF-INIZCTEOSA-N 1 0 343.387 1.851 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000596328450 449475125 /nfs/dbraw/zinc/47/51/25/449475125.db2.gz YSOGGYUIYRHZMW-SNVBAGLBSA-N 1 0 342.421 1.527 20 5 EDBDRO CCCC[C@@H](C[NH3+])NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598664557 449526808 /nfs/dbraw/zinc/52/68/08/449526808.db2.gz MKQUVCSXKYPXKR-LBPRGKRZSA-N 1 0 337.380 1.350 20 5 EDBDRO O=C([C@H]1C[C@@]12CCC[NH2+]C2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000594446131 449523944 /nfs/dbraw/zinc/52/39/44/449523944.db2.gz NWDQMIYDQUQNTD-CZUORRHYSA-N 1 0 333.392 1.345 20 5 EDBDRO CO[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@](C)(C[NH3+])C1 ZINC000600884258 449585300 /nfs/dbraw/zinc/58/53/00/449585300.db2.gz KGGGDOBIHNJRJL-IUODEOHRSA-N 1 0 341.795 1.755 20 5 EDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000602434710 449584219 /nfs/dbraw/zinc/58/42/19/449584219.db2.gz OJXUONQDMUZUJP-GFCCVEGCSA-N 1 0 347.350 1.744 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598713861 449558826 /nfs/dbraw/zinc/55/88/26/449558826.db2.gz DOUHAEXSIVDYJO-RYUDHWBXSA-N 1 0 327.406 1.569 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598716228 449560024 /nfs/dbraw/zinc/56/00/24/449560024.db2.gz BYYFUYYSMMZXIE-NWDGAFQWSA-N 1 0 327.406 1.760 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598716874 449560782 /nfs/dbraw/zinc/56/07/82/449560782.db2.gz UKMYTOVHZIYNKV-OLZOCXBDSA-N 1 0 341.433 1.960 20 5 EDBDRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000598720563 449561942 /nfs/dbraw/zinc/56/19/42/449561942.db2.gz OZUOAYVQVLPVPX-TZMCWYRMSA-N 1 0 325.390 1.238 20 5 EDBDRO Cn1ccnc1[C@H](NCC12CC(C1)C[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000596654399 449588625 /nfs/dbraw/zinc/58/86/25/449588625.db2.gz NXHPBOURLSOHQK-YAJUMTOWSA-N 1 0 327.388 1.759 20 5 EDBDRO O=C(NC[C@@H]1COCC[NH2+]1)c1c(Br)cccc1[N+](=O)[O-] ZINC000602551151 449669094 /nfs/dbraw/zinc/66/90/94/449669094.db2.gz NNFROAMFYJBSAS-MRVPVSSYSA-N 1 0 344.165 1.076 20 5 EDBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594754537 449669603 /nfs/dbraw/zinc/66/96/03/449669603.db2.gz LWXMIRASELAORI-TXEJJXNPSA-N 1 0 342.421 1.531 20 5 EDBDRO C[NH+](C)CC(C)(C)NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598902084 449639226 /nfs/dbraw/zinc/63/92/26/449639226.db2.gz ASTXCAWAIUYJGN-UHFFFAOYSA-N 1 0 337.380 1.173 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000598914384 449644288 /nfs/dbraw/zinc/64/42/88/449644288.db2.gz BYEOQRJIRGABMM-SWLSCSKDSA-N 1 0 346.387 1.524 20 5 EDBDRO CNC(=O)c1ccc(NC2CC(N3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000599094779 449728946 /nfs/dbraw/zinc/72/89/46/449728946.db2.gz MYJJMQYKEWRWJV-UHFFFAOYSA-N 1 0 334.376 1.230 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000599100882 449732348 /nfs/dbraw/zinc/73/23/48/449732348.db2.gz JBXDMSGRMDVWTP-ZDUSSCGKSA-N 1 0 327.406 1.522 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000599101651 449733330 /nfs/dbraw/zinc/73/33/30/449733330.db2.gz NQIMUZRSIGKOEU-WDEREUQCSA-N 1 0 329.378 1.022 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000599102854 449733951 /nfs/dbraw/zinc/73/39/51/449733951.db2.gz FUFJLFPNQJNSKS-VHSXEESVSA-N 1 0 329.378 1.022 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@@H](O)C(F)(F)F)CC2)cn1 ZINC000602655928 449734578 /nfs/dbraw/zinc/73/45/78/449734578.db2.gz IKHBFTXJBVTFMM-GFCCVEGCSA-N 1 0 348.325 1.862 20 5 EDBDRO CC1(C)CCC[N@@H+]1CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594782759 449693910 /nfs/dbraw/zinc/69/39/10/449693910.db2.gz OEZGFOAHIJSNCK-UHFFFAOYSA-N 1 0 328.394 1.143 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599108468 449740922 /nfs/dbraw/zinc/74/09/22/449740922.db2.gz SXPNLYZLKNJPAB-CYBMUJFWSA-N 1 0 341.389 1.166 20 5 EDBDRO CC(C)C[C@H](Nc1ccc([N+](=O)[O-])cn1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000601192293 449743369 /nfs/dbraw/zinc/74/33/69/449743369.db2.gz UMRYVFRPYJETNG-CABCVRRESA-N 1 0 349.435 1.979 20 5 EDBDRO C[N@@H+]1CCCC[C@@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000599140611 449759689 /nfs/dbraw/zinc/75/96/89/449759689.db2.gz WRURKEJBDJMDOT-NSHDSACASA-N 1 0 342.421 1.386 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](CO)CC3CC3)CC2)cn1 ZINC000602714445 449764641 /nfs/dbraw/zinc/76/46/41/449764641.db2.gz ADCGAJYBISCLDR-AWEZNQCLSA-N 1 0 334.420 1.957 20 5 EDBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601319565 449827818 /nfs/dbraw/zinc/82/78/18/449827818.db2.gz OXTYQRFGSNAADH-GFCCVEGCSA-N 1 0 337.351 1.717 20 5 EDBDRO CC(C)NC(=O)c1ccc(NCC[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000599199423 449793868 /nfs/dbraw/zinc/79/38/68/449793868.db2.gz KIVVKJZETGXHPE-ZDUSSCGKSA-N 1 0 336.392 1.212 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000595072087 449855062 /nfs/dbraw/zinc/85/50/62/449855062.db2.gz FDZHOZDHEFLQPK-LBPRGKRZSA-N 1 0 348.403 1.770 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000601348129 449860258 /nfs/dbraw/zinc/86/02/58/449860258.db2.gz QWZKUMGSJDEWKT-TXEJJXNPSA-N 1 0 325.390 1.282 20 5 EDBDRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000597190443 449864759 /nfs/dbraw/zinc/86/47/59/449864759.db2.gz JZUSXGRZEDXGJO-UXIGCNINSA-N 1 0 342.417 1.318 20 5 EDBDRO [NH3+][C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1F ZINC000595121281 449882769 /nfs/dbraw/zinc/88/27/69/449882769.db2.gz MRUQESOWLCVXNI-RKDXNWHRSA-N 1 0 337.760 1.308 20 5 EDBDRO C[NH+](C)C[C@]1(O)CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000602876675 449886145 /nfs/dbraw/zinc/88/61/45/449886145.db2.gz IPPHNVSWKBGXFD-MRXNPFEDSA-N 1 0 333.392 1.360 20 5 EDBDRO CO[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[C@H]1CCOC1 ZINC000595060741 449852498 /nfs/dbraw/zinc/85/24/98/449852498.db2.gz ORGARXLZHQZJMQ-LJISPDSOSA-N 1 0 338.408 1.916 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CCC[NH2+]CC2)c(F)cc1[N+](=O)[O-] ZINC000601344093 449853399 /nfs/dbraw/zinc/85/33/99/449853399.db2.gz VZFUDGLRVDSJOV-LLVKDONJSA-N 1 0 345.396 1.805 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000601421926 449940103 /nfs/dbraw/zinc/94/01/03/449940103.db2.gz NAOGWBIYSPPDJZ-STQMWFEESA-N 1 0 341.433 1.925 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC(C[NH+](C)C)C2)c1C ZINC000601423848 449942796 /nfs/dbraw/zinc/94/27/96/449942796.db2.gz ODUXTGWVYIRDRS-UHFFFAOYSA-N 1 0 327.406 1.394 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC3(CCSCC3)CC2)c1 ZINC000602950060 449951816 /nfs/dbraw/zinc/95/18/16/449951816.db2.gz YKAGUPRQWQQABN-AWEZNQCLSA-N 1 0 340.449 1.761 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595232145 449962302 /nfs/dbraw/zinc/96/23/02/449962302.db2.gz VBXHAKOWZJBDJI-GHMZBOCLSA-N 1 0 326.328 1.897 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])s1 ZINC000601446060 449968755 /nfs/dbraw/zinc/96/87/55/449968755.db2.gz QSYVIKYGDSPUDV-SNVBAGLBSA-N 1 0 333.435 1.679 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595264359 449986530 /nfs/dbraw/zinc/98/65/30/449986530.db2.gz WEMQCIXEBLKHPE-VXGBXAGGSA-N 1 0 326.328 1.184 20 5 EDBDRO CC(C)[N@H+](CCN1C(=O)CN(C)C1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000595295646 450010697 /nfs/dbraw/zinc/01/06/97/450010697.db2.gz NTQAJJBAVIHJSJ-UHFFFAOYSA-N 1 0 334.376 1.699 20 5 EDBDRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000609493349 450038526 /nfs/dbraw/zinc/03/85/26/450038526.db2.gz OFGFIJKTOYVNFK-MRXNPFEDSA-N 1 0 332.404 1.728 20 5 EDBDRO CC(C)[NH2+][C@H]1CCCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000609595627 450062318 /nfs/dbraw/zinc/06/23/18/450062318.db2.gz SUWMXTZQUBKYOC-NSHDSACASA-N 1 0 342.421 1.209 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](C)c2nccn2C)c1 ZINC000595384561 450098770 /nfs/dbraw/zinc/09/87/70/450098770.db2.gz XQAHOQXBVQBRQI-LLVKDONJSA-N 1 0 338.389 1.985 20 5 EDBDRO COC(=O)C1C[C@H](C)[NH+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000599698552 450162030 /nfs/dbraw/zinc/16/20/30/450162030.db2.gz VPCIGQMNNAYELG-RYUDHWBXSA-N 1 0 337.376 1.419 20 5 EDBDRO COc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000597693131 450201616 /nfs/dbraw/zinc/20/16/16/450201616.db2.gz BHAWDWUDVCPVKZ-UKRRQHHQSA-N 1 0 349.387 1.539 20 5 EDBDRO C[C@@H]1C[N@@H+](CCN2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000595523468 450204991 /nfs/dbraw/zinc/20/49/91/450204991.db2.gz JUMPHTGSXPEGGI-GASCZTMLSA-N 1 0 349.435 1.221 20 5 EDBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc3c(c([N+](=O)[O-])c1)OCO3)C2 ZINC000597712037 450214852 /nfs/dbraw/zinc/21/48/52/450214852.db2.gz ZFJUEXXHVHUZNT-QGZVFWFLSA-N 1 0 347.371 1.881 20 5 EDBDRO CC[N@@H+]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595536193 450215633 /nfs/dbraw/zinc/21/56/33/450215633.db2.gz ONXSASACMKNGRR-LSDHHAIUSA-N 1 0 337.420 1.751 20 5 EDBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 ZINC000595551549 450225726 /nfs/dbraw/zinc/22/57/26/450225726.db2.gz XHDYGRGTRPJZBA-UHFFFAOYSA-N 1 0 348.403 1.601 20 5 EDBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000597678627 450189324 /nfs/dbraw/zinc/18/93/24/450189324.db2.gz NCGDLXUHHLXMIU-LBPRGKRZSA-N 1 0 336.392 1.259 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)n1 ZINC000610484826 450239204 /nfs/dbraw/zinc/23/92/04/450239204.db2.gz AHUBUOMYNRHAFL-GASCZTMLSA-N 1 0 327.388 1.860 20 5 EDBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599832696 450240595 /nfs/dbraw/zinc/24/05/95/450240595.db2.gz ILWHXGSSIOOSRK-MRXNPFEDSA-N 1 0 345.359 1.331 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCOC[C@@H]2CCOC2)n1 ZINC000618568477 450247505 /nfs/dbraw/zinc/24/75/05/450247505.db2.gz WPAVQSWBUYLIIT-RBSFLKMASA-N 1 0 338.408 1.918 20 5 EDBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000619786660 450334560 /nfs/dbraw/zinc/33/45/60/450334560.db2.gz CZBRHKMRNGMGBZ-AWEZNQCLSA-N 1 0 343.387 1.960 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)s1 ZINC000603424446 450295981 /nfs/dbraw/zinc/29/59/81/450295981.db2.gz WEHDCMNMDKVDSD-ZDUSSCGKSA-N 1 0 340.449 1.865 20 5 EDBDRO CS(=O)(=O)NC1CC([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000619748017 450325261 /nfs/dbraw/zinc/32/52/61/450325261.db2.gz QZAIMFWEFBNRJI-XQRVVYSFSA-N 1 0 325.390 1.278 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000610929441 450382683 /nfs/dbraw/zinc/38/26/83/450382683.db2.gz NKFKOQXWUKCBDH-AAEUAGOBSA-N 1 0 326.784 1.679 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC([N@H+](C)CCCO)CC1 ZINC000115547156 486876207 /nfs/dbraw/zinc/87/62/07/486876207.db2.gz QSXFTLSLCAHXKV-UHFFFAOYSA-N 1 0 337.420 1.882 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000183529067 529058544 /nfs/dbraw/zinc/05/85/44/529058544.db2.gz BSDNECFRMDSYLM-CQSZACIVSA-N 1 0 341.433 1.541 20 5 EDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000236861894 535354660 /nfs/dbraw/zinc/35/46/60/535354660.db2.gz NVFWTQXKOVMCRN-JTQLQIEISA-N 1 0 332.360 1.684 20 5 EDBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000271074674 535412838 /nfs/dbraw/zinc/41/28/38/535412838.db2.gz GEMFNGAQOPOBSQ-HIFRSBDPSA-N 1 0 336.436 1.890 20 5 EDBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000075609343 535649332 /nfs/dbraw/zinc/64/93/32/535649332.db2.gz LDUVIBPEHZYDAX-LBPRGKRZSA-N 1 0 346.391 1.636 20 5 EDBDRO C[NH+](C)CCCNC(=O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000349141493 535836582 /nfs/dbraw/zinc/83/65/82/535836582.db2.gz DPIQCQPCUJBBIY-UHFFFAOYSA-N 1 0 331.376 1.526 20 5 EDBDRO C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC000345571963 536343541 /nfs/dbraw/zinc/34/35/41/536343541.db2.gz WEKRXJZUSMZDCT-UHFFFAOYSA-N 1 0 339.417 1.503 20 5 EDBDRO C[NH2+][C@@H](C)Cc1noc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000261612535 536350137 /nfs/dbraw/zinc/35/01/37/536350137.db2.gz AYFXMGGSVMAMDL-UWVGGRQHSA-N 1 0 349.347 1.699 20 5 EDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000262228989 536360174 /nfs/dbraw/zinc/36/01/74/536360174.db2.gz QCSBNWZWXGCSRV-GFCCVEGCSA-N 1 0 329.360 1.605 20 5 EDBDRO CN(C[C@@H]1CC[N@H+](C)C1)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000345141001 536432751 /nfs/dbraw/zinc/43/27/51/536432751.db2.gz AITRKKXQMYHQBA-LLVKDONJSA-N 1 0 327.406 1.386 20 5 EDBDRO COC(=O)c1cc(NC(=O)C[C@@H]2CSCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000262849379 536531208 /nfs/dbraw/zinc/53/12/08/536531208.db2.gz ZFUGIVKSGYKYOP-LLVKDONJSA-N 1 0 339.373 1.415 20 5 EDBDRO COC[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248960421 536645291 /nfs/dbraw/zinc/64/52/91/536645291.db2.gz BCCUBAKBOIHZIB-NVXWUHKLSA-N 1 0 348.403 1.342 20 5 EDBDRO COc1cc(C(=O)NCC2C[NH2+]C2)c([N+](=O)[O-])cc1OC(F)F ZINC000262061499 536893666 /nfs/dbraw/zinc/89/36/66/536893666.db2.gz ZFVCTRWWPAWVQA-UHFFFAOYSA-N 1 0 331.275 1.154 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](O)c2cccc(Cl)c2)c1 ZINC000743261549 579474455 /nfs/dbraw/zinc/47/44/55/579474455.db2.gz VCHSALMWWTXDOG-KGLIPLIRSA-N 1 0 340.767 1.129 20 5 EDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000726165199 578335277 /nfs/dbraw/zinc/33/52/77/578335277.db2.gz WXBZQBRGYDLGOS-QWHCGFSZSA-N 1 0 344.371 1.669 20 5 EDBDRO Cc1cn(CN2CC[C@H]([NH+](C)C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728711672 578550987 /nfs/dbraw/zinc/55/09/87/578550987.db2.gz VEYRZEBEQSXDPF-AWEZNQCLSA-N 1 0 345.403 1.449 20 5 EDBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729497533 578577914 /nfs/dbraw/zinc/57/79/14/578577914.db2.gz PSROOJGULFVAFN-ZIAGYGMSSA-N 1 0 334.376 1.257 20 5 EDBDRO C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000729921223 578599748 /nfs/dbraw/zinc/59/97/48/578599748.db2.gz SOEDSIQNPUEVMI-DZGCQCFKSA-N 1 0 345.403 1.572 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000729984292 578605852 /nfs/dbraw/zinc/60/58/52/578605852.db2.gz YYCPTLGEEGZSMV-WUKHSURWSA-N 1 0 333.388 1.835 20 5 EDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000729984289 578605866 /nfs/dbraw/zinc/60/58/66/578605866.db2.gz YYCPTLGEEGZSMV-AJHXJQRKSA-N 1 0 333.388 1.835 20 5 EDBDRO Cc1nn(CCC(=O)O[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000788114211 579214046 /nfs/dbraw/zinc/21/40/46/579214046.db2.gz DNNCIDKQVHRZFC-UONOGXRCSA-N 1 0 336.392 1.968 20 5 EDBDRO COc1ccc([C@@H](O)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749672205 579734337 /nfs/dbraw/zinc/73/43/37/579734337.db2.gz QDBLEDODNAVANB-IRXDYDNUSA-N 1 0 332.356 1.960 20 5 EDBDRO C[C@@H]1C[NH+](CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C[C@H]1C ZINC000751930848 579828395 /nfs/dbraw/zinc/82/83/95/579828395.db2.gz VFKOQAWKGPDDTC-QFSBIZTOSA-N 1 0 346.387 1.907 20 5 EDBDRO COc1ccc(NNC(=S)NCCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000767692893 580197033 /nfs/dbraw/zinc/19/70/33/580197033.db2.gz QNJWZBKVHDDHGU-UHFFFAOYSA-N 1 0 327.410 1.346 20 5 EDBDRO C[N@H+](CCCO)C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776584313 580422367 /nfs/dbraw/zinc/42/23/67/580422367.db2.gz LCDKLFPYMPURIM-KRWDZBQOSA-N 1 0 337.420 1.407 20 5 EDBDRO COc1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000780867676 580535931 /nfs/dbraw/zinc/53/59/31/580535931.db2.gz SDAMAQQAGAHLIS-NSHDSACASA-N 1 0 343.405 1.366 20 5 EDBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC1(O)CCC1 ZINC000782543573 580577273 /nfs/dbraw/zinc/57/72/73/580577273.db2.gz DTKMVBRFAXTQJR-UHFFFAOYSA-N 1 0 325.340 1.909 20 5 EDBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790931722 580781540 /nfs/dbraw/zinc/78/15/40/580781540.db2.gz RACMANVQGMFVQK-CQSZACIVSA-N 1 0 345.758 1.113 20 5 EDBDRO COc1c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000793291707 580840989 /nfs/dbraw/zinc/84/09/89/580840989.db2.gz UMYZWDAKHCNBRU-NWDGAFQWSA-N 1 0 335.360 1.196 20 5 EDBDRO C[N@@H+]1CC[C@@]2(CCN(Cn3cc(Br)c([N+](=O)[O-])n3)C2)C1 ZINC000793746057 580854477 /nfs/dbraw/zinc/85/44/77/580854477.db2.gz PVUWJCYVMNTOGO-GFCCVEGCSA-N 1 0 344.213 1.539 20 5 EDBDRO C[C@]1(C(N)=O)CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000794711144 580904199 /nfs/dbraw/zinc/90/41/99/580904199.db2.gz QCHHYLQSHWTDFT-HNNXBMFYSA-N 1 0 330.348 1.008 20 5 EDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000893077631 590650541 /nfs/dbraw/zinc/65/05/41/590650541.db2.gz BIFWYYAESFFHHG-RYUDHWBXSA-N 1 0 330.388 1.976 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000866871504 590781077 /nfs/dbraw/zinc/78/10/77/590781077.db2.gz OCUOJMPMUANKDR-MNOVXSKESA-N 1 0 345.396 1.803 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000892202558 590862510 /nfs/dbraw/zinc/86/25/10/590862510.db2.gz NCFQUIMVOLKQQK-LSDHHAIUSA-N 1 0 348.403 1.982 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+]2CC)cc1OC ZINC000893872440 591123768 /nfs/dbraw/zinc/12/37/68/591123768.db2.gz SVLUAZWMUGUCNA-LLVKDONJSA-N 1 0 337.376 1.826 20 5 EDBDRO CC[N@@H+]1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C[C@H]1C ZINC000892971253 591243753 /nfs/dbraw/zinc/24/37/53/591243753.db2.gz OTLWNDRDUUQDLW-GFCCVEGCSA-N 1 0 330.388 1.977 20 5 EDBDRO COc1c(O)ccc(C[NH2+]C[C@@H](C)CN2CCOCC2)c1[N+](=O)[O-] ZINC000893031334 591260020 /nfs/dbraw/zinc/26/00/20/591260020.db2.gz VZRWLNNVQDFZEN-GFCCVEGCSA-N 1 0 339.392 1.367 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000841191760 591288678 /nfs/dbraw/zinc/28/86/78/591288678.db2.gz GWDOITHNZCYPIM-UHFFFAOYSA-N 1 0 340.355 1.424 20 5 EDBDRO [NH3+][C@H](CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000841200749 591304151 /nfs/dbraw/zinc/30/41/51/591304151.db2.gz FRGMAQFMVVNXGR-SNVBAGLBSA-N 1 0 326.740 1.040 20 5 EDBDRO CO[C@@]1(CNCc2ccc(Cl)cc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000896679395 591578924 /nfs/dbraw/zinc/57/89/24/591578924.db2.gz GLJJULMWVHSBRW-CYBMUJFWSA-N 1 0 348.808 1.542 20 5 EDBDRO CO[C@@H]1CCOC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000897889913 591708676 /nfs/dbraw/zinc/70/86/76/591708676.db2.gz AEZSLPTXXWIOGQ-HUUCEWRRSA-N 1 0 336.392 1.352 20 5 EDBDRO CC(=O)c1cc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897220963 591775461 /nfs/dbraw/zinc/77/54/61/591775461.db2.gz FHCPISIAWCTDPP-SJORKVTESA-N 1 0 333.388 1.833 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CC[NH+](C)C)C1CC1 ZINC000902667234 592043494 /nfs/dbraw/zinc/04/34/94/592043494.db2.gz BQUKHSGJNROQIZ-UHFFFAOYSA-N 1 0 334.376 1.394 20 5 EDBDRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)C1 ZINC000903372243 592162177 /nfs/dbraw/zinc/16/21/77/592162177.db2.gz XOVBOOWJPJWUDK-SMDDNHRTSA-N 1 0 328.390 1.449 20 5 EDBDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000901350998 592344070 /nfs/dbraw/zinc/34/40/70/592344070.db2.gz NMGLJZWSUCHORL-DOMZBBRYSA-N 1 0 341.795 1.362 20 5 EDBDRO COc1ccc(NC(=O)CN2CCC[C@@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000903862733 592349860 /nfs/dbraw/zinc/34/98/60/592349860.db2.gz DIFMQZHAGGTEHW-INIZCTEOSA-N 1 0 334.376 1.370 20 5 EDBDRO CN1CC[N@H+](C)CC(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000906961154 592437208 /nfs/dbraw/zinc/43/72/08/592437208.db2.gz UHJNJYLZFSMLIM-UHFFFAOYSA-N 1 0 340.811 1.358 20 5 EDBDRO CCN([C@H]1CCC[NH2+]CC1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000905347416 592501948 /nfs/dbraw/zinc/50/19/48/592501948.db2.gz OMQKRBNIJLTSBH-NSHDSACASA-N 1 0 345.396 1.887 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1 ZINC000905447932 592528375 /nfs/dbraw/zinc/52/83/75/592528375.db2.gz VPALDYHFXHDUTE-UWVGGRQHSA-N 1 0 344.236 1.776 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1 ZINC000905658759 592599162 /nfs/dbraw/zinc/59/91/62/592599162.db2.gz JMQXIEXWEDWPCN-SEBNEYGDSA-N 1 0 338.385 1.134 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000905646760 592604043 /nfs/dbraw/zinc/60/40/43/592604043.db2.gz AHBWJJZEMTZQLK-FMKPAKJESA-N 1 0 336.388 1.882 20 5 EDBDRO CC1(C)CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000905722340 592629429 /nfs/dbraw/zinc/62/94/29/592629429.db2.gz GXZVGVMROLEYSF-INIZCTEOSA-N 1 0 334.420 1.601 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905897165 592671550 /nfs/dbraw/zinc/67/15/50/592671550.db2.gz CLFDRJNCFVWRJD-DZGCQCFKSA-N 1 0 344.795 1.582 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)CC[NH2+]1 ZINC000911803759 593013614 /nfs/dbraw/zinc/01/36/14/593013614.db2.gz WBWFFVXKWFTLRG-LBPRGKRZSA-N 1 0 329.360 1.274 20 5 EDBDRO O=C([C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000911972949 593043323 /nfs/dbraw/zinc/04/33/23/593043323.db2.gz CSLKRXVTHQLTAE-OWCLPIDISA-N 1 0 330.388 1.099 20 5 EDBDRO CCO[C@@H]1C[NH2+][C@@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000912001548 593047892 /nfs/dbraw/zinc/04/78/92/593047892.db2.gz QVICISNSTCBDNZ-UONOGXRCSA-N 1 0 348.403 1.010 20 5 EDBDRO C[C@@H]1CN(Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C[C@H](C)[N@H+]1C ZINC000840090672 593165057 /nfs/dbraw/zinc/16/50/57/593165057.db2.gz SJLVHKKRYLASQD-TXEJJXNPSA-N 1 0 347.375 1.393 20 5 EDBDRO CN(CC1CCOCC1)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794639293 593184612 /nfs/dbraw/zinc/18/46/12/593184612.db2.gz LJWCDNKIXCCZFH-UHFFFAOYSA-N 1 0 348.359 1.727 20 5 EDBDRO C[C@@H]1CN(Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H](C)[N@H+]1CCO ZINC000840133010 593246782 /nfs/dbraw/zinc/24/67/82/593246782.db2.gz AEVIVUYMVBPHSC-BETUJISGSA-N 1 0 333.392 1.289 20 5 EDBDRO O=C1O[C@H](CN2CCN(c3ncccc3[N+](=O)[O-])CC2)CC12CC2 ZINC000839032608 593255713 /nfs/dbraw/zinc/25/57/13/593255713.db2.gz QYAUHDOPVYQYOM-LBPRGKRZSA-N 1 0 332.360 1.208 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000840155269 593314027 /nfs/dbraw/zinc/31/40/27/593314027.db2.gz WDFGEXROQXWSFN-GFCCVEGCSA-N 1 0 334.376 1.875 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840006738 593342654 /nfs/dbraw/zinc/34/26/54/593342654.db2.gz ZSNUIRZKOBKZJW-SUMWQHHRSA-N 1 0 348.403 1.373 20 5 EDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000804460942 593416823 /nfs/dbraw/zinc/41/68/23/593416823.db2.gz BRBYVUPHLMLWPZ-GFCCVEGCSA-N 1 0 347.419 1.563 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000816950204 593562484 /nfs/dbraw/zinc/56/24/84/593562484.db2.gz NGVDDKSYVHEISG-WFASDCNBSA-N 1 0 329.360 1.107 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)[C@@H]2C1 ZINC000816955131 593563262 /nfs/dbraw/zinc/56/32/62/593563262.db2.gz UVNFTSOKMABYMH-CXAGYDPISA-N 1 0 344.415 1.971 20 5 EDBDRO CS(=O)(=O)C[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000814641206 593599079 /nfs/dbraw/zinc/59/90/79/593599079.db2.gz FCBPNEPMTLIXBS-WFASDCNBSA-N 1 0 342.417 1.385 20 5 EDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000817490673 593607748 /nfs/dbraw/zinc/60/77/48/593607748.db2.gz IEFZGTKSAQFGAF-AWEZNQCLSA-N 1 0 331.376 1.497 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)cc1 ZINC000815285445 593624998 /nfs/dbraw/zinc/62/49/98/593624998.db2.gz HDESUOOPARZLQH-ZACQAIPSSA-N 1 0 336.388 1.538 20 5 EDBDRO Cn1cc([C@@H]2CN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000818292090 593690246 /nfs/dbraw/zinc/69/02/46/593690246.db2.gz ZBDYQDBGSDADQL-QWHCGFSZSA-N 1 0 349.778 1.549 20 5 EDBDRO CC[NH2+]CC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000818470427 593698810 /nfs/dbraw/zinc/69/88/10/593698810.db2.gz OJUBOEJKMOHCEB-ZDUSSCGKSA-N 1 0 337.376 1.703 20 5 EDBDRO CCCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[NH2+]C1 ZINC000818544642 593704212 /nfs/dbraw/zinc/70/42/12/593704212.db2.gz KYMHQXQOXQIJQM-CQSZACIVSA-N 1 0 331.376 1.545 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2nnc3n2CCCCC3)c1 ZINC000818946334 593729398 /nfs/dbraw/zinc/72/93/98/593729398.db2.gz KMQXYLRHDLMFAB-HNNXBMFYSA-N 1 0 345.403 1.778 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CSCCS1 ZINC000819143063 593741085 /nfs/dbraw/zinc/74/10/85/593741085.db2.gz ZAUSFWCVVIISQP-NWDGAFQWSA-N 1 0 344.458 1.773 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCCCS2(=O)=O)cc1 ZINC000819221755 593744983 /nfs/dbraw/zinc/74/49/83/593744983.db2.gz NSYVKNVMBQBWEF-ZIAGYGMSSA-N 1 0 328.390 1.185 20 5 EDBDRO O=C1NCCc2ccc(C[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)cc21 ZINC000819228104 593745639 /nfs/dbraw/zinc/74/56/39/593745639.db2.gz HADVTXJXMRCQHH-KRWDZBQOSA-N 1 0 341.367 1.704 20 5 EDBDRO C[C@@]1(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(Cl)Cl ZINC000819350691 593751522 /nfs/dbraw/zinc/75/15/22/593751522.db2.gz RCVIWPNKQLXQGH-WDEREUQCSA-N 1 0 337.207 1.716 20 5 EDBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2F)C[C@H](C)O1 ZINC000820217296 593799806 /nfs/dbraw/zinc/79/98/06/593799806.db2.gz HUQTYEMEJMDTQO-TXEJJXNPSA-N 1 0 339.367 1.963 20 5 EDBDRO CC[NH+](CC)CCOCCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823962749 593895333 /nfs/dbraw/zinc/89/53/33/593895333.db2.gz VZCICCAEMBQLTD-UHFFFAOYSA-N 1 0 339.396 1.657 20 5 EDBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000824086408 593925897 /nfs/dbraw/zinc/92/58/97/593925897.db2.gz NZTHSBRTFAASBE-GJZGRUSLSA-N 1 0 345.403 1.789 20 5 EDBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000821051667 593953603 /nfs/dbraw/zinc/95/36/03/593953603.db2.gz FQLMKGKAUGFQFL-GVDBMIGSSA-N 1 0 347.415 1.661 20 5 EDBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C1 ZINC000821088098 593963170 /nfs/dbraw/zinc/96/31/70/593963170.db2.gz JPHQWBZQXMWROA-GFCCVEGCSA-N 1 0 345.407 1.943 20 5 EDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000825189170 594144463 /nfs/dbraw/zinc/14/44/63/594144463.db2.gz XRZRMQOJZNEIOC-STQMWFEESA-N 1 0 348.403 1.289 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(-c3cn([C@H]4CCC[NH2+]C4)nn3)n2)s1 ZINC000823069135 594147907 /nfs/dbraw/zinc/14/79/07/594147907.db2.gz GINOTLNGSCDVHQ-QMMMGPOBSA-N 1 0 347.360 1.889 20 5 EDBDRO COc1cc(Cc2noc(C[C@@H]3CC[NH2+]C3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000823147295 594160015 /nfs/dbraw/zinc/16/00/15/594160015.db2.gz YMGMGGMLAJIPKS-JTQLQIEISA-N 1 0 348.359 1.738 20 5 EDBDRO COc1cc(Cc2noc(CC[C@H](C)[NH3+])n2)c([N+](=O)[O-])c(OC)c1 ZINC000823147005 594160105 /nfs/dbraw/zinc/16/01/05/594160105.db2.gz SPFCICPNFIOKMU-VIFPVBQESA-N 1 0 336.348 1.866 20 5 EDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000827749128 594271272 /nfs/dbraw/zinc/27/12/72/594271272.db2.gz FDKCELCJGLSKGG-NSHDSACASA-N 1 0 325.390 1.113 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000828072012 594335143 /nfs/dbraw/zinc/33/51/43/594335143.db2.gz QESLHBYAOSURRL-UHFFFAOYSA-N 1 0 335.408 1.434 20 5 EDBDRO COC(=O)Cc1ccc(N2CC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000828248051 594374482 /nfs/dbraw/zinc/37/44/82/594374482.db2.gz AEAGUZZCFNIRNA-KRWDZBQOSA-N 1 0 333.388 1.842 20 5 EDBDRO CS[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000828372711 594404070 /nfs/dbraw/zinc/40/40/70/594404070.db2.gz LBBHRDFKNHQCID-QWHCGFSZSA-N 1 0 329.466 1.860 20 5 EDBDRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000829583381 594645354 /nfs/dbraw/zinc/64/53/54/594645354.db2.gz BPVCKUCYUATLAZ-UHFFFAOYSA-N 1 0 337.424 1.768 20 5 EDBDRO CCO[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000831737127 594697728 /nfs/dbraw/zinc/69/77/28/594697728.db2.gz CTSALSUXTBSFCJ-SNVBAGLBSA-N 1 0 329.784 1.945 20 5 EDBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000841149720 594859031 /nfs/dbraw/zinc/85/90/31/594859031.db2.gz LPVKVFXYFPCETK-SECBINFHSA-N 1 0 326.740 1.007 20 5 EDBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc([N+](=O)[O-])ccc1Cl ZINC000833565846 594875559 /nfs/dbraw/zinc/87/55/59/594875559.db2.gz MXPSWRULEHBTLL-GFCCVEGCSA-N 1 0 341.795 1.825 20 5 EDBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000837022173 595025138 /nfs/dbraw/zinc/02/51/38/595025138.db2.gz PVTNDNBHPRWUIM-SEYXRHQNSA-N 1 0 333.388 1.571 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000843356289 595085925 /nfs/dbraw/zinc/08/59/25/595085925.db2.gz SSZPMXULITWWIJ-ZANVPECISA-N 1 0 342.783 1.235 20 5 EDBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@H](C[NH3+])C1 ZINC000843368005 595089988 /nfs/dbraw/zinc/08/99/88/595089988.db2.gz MXEPNMWULKPHRP-MWLCHTKSSA-N 1 0 342.783 1.235 20 5 EDBDRO Cc1cc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)c(N)c([N+](=O)[O-])c1 ZINC000843455742 595116619 /nfs/dbraw/zinc/11/66/19/595116619.db2.gz VAKFNZUCNVWYKI-LLVKDONJSA-N 1 0 341.371 1.949 20 5 EDBDRO C[NH2+]CCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000842485050 595120063 /nfs/dbraw/zinc/12/00/63/595120063.db2.gz LDXZMKLPKUNCIQ-UHFFFAOYSA-N 1 0 335.813 1.787 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)c1C ZINC000842484557 595120073 /nfs/dbraw/zinc/12/00/73/595120073.db2.gz BBBCJUICTWFAIE-OAHLLOKOSA-N 1 0 339.417 1.728 20 5 EDBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842514033 595124324 /nfs/dbraw/zinc/12/43/24/595124324.db2.gz ZJMFDOZPLAANAW-KRWDZBQOSA-N 1 0 342.355 1.817 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000843486776 595126720 /nfs/dbraw/zinc/12/67/20/595126720.db2.gz VSBSKLGDRXHBFE-IINYFYTJSA-N 1 0 334.332 1.635 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000842720015 595179953 /nfs/dbraw/zinc/17/99/53/595179953.db2.gz QEDMOYJOHHKBDD-VHSXEESVSA-N 1 0 347.824 1.914 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc([N+](=O)[O-])c1F ZINC000842815141 595207329 /nfs/dbraw/zinc/20/73/29/595207329.db2.gz PKCHDQOKZIXQSX-VHSXEESVSA-N 1 0 331.369 1.461 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCC[C@H]1CCC[NH2+]1 ZINC000842831803 595211330 /nfs/dbraw/zinc/21/13/30/595211330.db2.gz XNJRIZISLRWNGR-SNVBAGLBSA-N 1 0 333.797 1.669 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000834795176 595214261 /nfs/dbraw/zinc/21/42/61/595214261.db2.gz FJERTBNMZYBMMI-UHFFFAOYSA-N 1 0 335.408 1.623 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)cc([N+](=O)[O-])c1F ZINC000842869122 595219997 /nfs/dbraw/zinc/21/99/97/595219997.db2.gz GLQWJRZNYBOOAN-LBPRGKRZSA-N 1 0 331.369 1.400 20 5 EDBDRO COc1cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000867309502 595226698 /nfs/dbraw/zinc/22/66/98/595226698.db2.gz SIXGRISBMWJTAM-PWSUYJOCSA-N 1 0 343.405 1.317 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)c1ccccn1 ZINC000843095589 595286176 /nfs/dbraw/zinc/28/61/76/595286176.db2.gz OHASOXQURDDBIJ-DOMZBBRYSA-N 1 0 333.344 1.053 20 5 EDBDRO C[NH+](C)CCC[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000852760629 595531675 /nfs/dbraw/zinc/53/16/75/595531675.db2.gz JVEMOQUFGIEJOT-IAGOWNOFSA-N 1 0 337.420 1.671 20 5 EDBDRO O=C(C=C1CC[NH2+]CC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000852871504 595590540 /nfs/dbraw/zinc/59/05/40/595590540.db2.gz QAXVGDORYQQCOO-ZDUSSCGKSA-N 1 0 331.376 1.312 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000855289378 595662938 /nfs/dbraw/zinc/66/29/38/595662938.db2.gz QGBBOKUOINQFEF-ZDUSSCGKSA-N 1 0 349.387 1.775 20 5 EDBDRO CCS(=O)(=O)C1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000853116088 595669499 /nfs/dbraw/zinc/66/94/99/595669499.db2.gz GDJXRDSDHAAQBX-ZDUSSCGKSA-N 1 0 328.390 1.185 20 5 EDBDRO CCN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000855360548 595685437 /nfs/dbraw/zinc/68/54/37/595685437.db2.gz HDDOZUXMDMNOBF-ZDUSSCGKSA-N 1 0 335.360 1.339 20 5 EDBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[NH+](C)C ZINC000855414895 595704673 /nfs/dbraw/zinc/70/46/73/595704673.db2.gz CZORMKHJEMZHEV-SNVBAGLBSA-N 1 0 326.372 1.870 20 5 EDBDRO C[C@H](CSCCF)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000850435176 595833496 /nfs/dbraw/zinc/83/34/96/595833496.db2.gz JIQHPTVUYQFHQH-LERXQTSPSA-N 1 0 332.397 1.670 20 5 EDBDRO COc1cc(C(=O)OC[C@@]2(C)C[C@H](OC)C[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000861345941 595952658 /nfs/dbraw/zinc/95/26/58/595952658.db2.gz ZMAHTWZZBKFNNQ-BLLLJJGKSA-N 1 0 338.360 1.869 20 5 EDBDRO COC(=O)c1ccnc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000856726385 596060838 /nfs/dbraw/zinc/06/08/38/596060838.db2.gz FHFWEMXGYOVCME-MNOVXSKESA-N 1 0 336.348 1.052 20 5 EDBDRO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000852144828 596061027 /nfs/dbraw/zinc/06/10/27/596061027.db2.gz CXPXHFXORPKDHQ-CYBMUJFWSA-N 1 0 332.360 1.957 20 5 EDBDRO CCCC[N@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000112310192 596104694 /nfs/dbraw/zinc/10/46/94/596104694.db2.gz JUFSVVUSESTRII-UHFFFAOYSA-N 1 0 327.356 1.961 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)c1 ZINC000859585802 596139783 /nfs/dbraw/zinc/13/97/83/596139783.db2.gz CTUKAYKTXFSCIR-IRXDYDNUSA-N 1 0 346.387 1.136 20 5 EDBDRO CC(C)(CCC(=O)N1CCC([N@@H+]2CCCOCC2)CC1)[N+](=O)[O-] ZINC000861987142 596170919 /nfs/dbraw/zinc/17/09/19/596170919.db2.gz XXZFNLUVFHEBQY-UHFFFAOYSA-N 1 0 327.425 1.535 20 5 EDBDRO CC(C)[C@H]1CN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000870982913 596429349 /nfs/dbraw/zinc/42/93/49/596429349.db2.gz OHUKVABLMRTDHV-WBVHZDCISA-N 1 0 334.420 1.567 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000867814404 596566480 /nfs/dbraw/zinc/56/64/80/596566480.db2.gz PMABPCJCBMOZMK-FZMZJTMJSA-N 1 0 325.390 1.310 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869776877 596627686 /nfs/dbraw/zinc/62/76/86/596627686.db2.gz ZNQCUOWQRXLHSC-ZDUSSCGKSA-N 1 0 335.404 1.787 20 5 EDBDRO O=C1OC[C@]2(C[NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)COCCN12 ZINC000865769986 596676091 /nfs/dbraw/zinc/67/60/91/596676091.db2.gz ZHYAGJFMXJUDQA-AWEZNQCLSA-N 1 0 341.751 1.559 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000868128945 596695993 /nfs/dbraw/zinc/69/59/93/596695993.db2.gz STBYCSAXISGLFP-ZBFHGGJFSA-N 1 0 332.404 1.873 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000871815879 596710946 /nfs/dbraw/zinc/71/09/46/596710946.db2.gz XDGJWMXUMIBOAU-SWLSCSKDSA-N 1 0 339.417 1.442 20 5 EDBDRO C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872046827 596799296 /nfs/dbraw/zinc/79/92/96/596799296.db2.gz MOGKUAAPPJVKCD-LLVKDONJSA-N 1 0 345.396 1.810 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000866393530 596874407 /nfs/dbraw/zinc/87/44/07/596874407.db2.gz GUJVWQRTGJRVAY-NSHDSACASA-N 1 0 345.396 1.805 20 5 EDBDRO CN(CC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C)c1ccccc1[N+](=O)[O-] ZINC000874836360 597191436 /nfs/dbraw/zinc/19/14/36/597191436.db2.gz GEZVJZYGZYLREF-HUUCEWRRSA-N 1 0 332.404 1.726 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000874840952 597195100 /nfs/dbraw/zinc/19/51/00/597195100.db2.gz SFHAVYPIWKKLJZ-ZIAGYGMSSA-N 1 0 347.371 1.481 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000874844435 597196718 /nfs/dbraw/zinc/19/67/18/597196718.db2.gz RYTMDTGOSSSGGA-HUUCEWRRSA-N 1 0 337.351 1.808 20 5 EDBDRO O=[N+]([O-])c1ccc2oc(CNC[C@H]3C[N@@H+]4CCC[C@H]4CO3)nc2c1 ZINC000877021417 597413946 /nfs/dbraw/zinc/41/39/46/597413946.db2.gz BAWXCLDFPMPVNT-STQMWFEESA-N 1 0 332.360 1.689 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H](O)Cc3cccc(F)c3)C2)c1 ZINC000877557421 597535127 /nfs/dbraw/zinc/53/51/27/597535127.db2.gz QWNXXRVTMWEDRA-XUJLQICISA-N 1 0 334.351 1.827 20 5 EDBDRO C[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000877617868 597542024 /nfs/dbraw/zinc/54/20/24/597542024.db2.gz XUHVDHDDUNHLPW-XDYZINJXSA-N 1 0 337.424 1.582 20 5 EDBDRO CC(C)[N@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000878620044 597657629 /nfs/dbraw/zinc/65/76/29/597657629.db2.gz MEWYBYHEKXEYMF-UHFFFAOYSA-N 1 0 337.376 1.826 20 5 EDBDRO O=[N+]([O-])c1ccc(F)cc1Cn1cc(CN2CCC[C@H]2CO)nn1 ZINC000881224499 598100992 /nfs/dbraw/zinc/10/09/92/598100992.db2.gz FIVSQQNLVZRYOD-AWEZNQCLSA-N 1 0 335.339 1.330 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC2CC([NH+](C)C)C2)c1 ZINC000916929583 696821059 /nfs/dbraw/zinc/82/10/59/696821059.db2.gz GBSRXPCTGZMRND-UHFFFAOYSA-N 1 0 327.406 1.583 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(C)CCN(C(=O)c2cocn2)CC1 ZINC000940001695 700120252 /nfs/dbraw/zinc/12/02/52/700120252.db2.gz BKZZGJIGHHTYAZ-UHFFFAOYSA-N 1 0 348.363 1.101 20 5 EDBDRO O=C(NCC1C[NH+](Cc2ccccc2C2CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031662368 697438512 /nfs/dbraw/zinc/43/85/12/697438512.db2.gz CPPLMNUEGDSIQR-IAGOWNOFSA-N 1 0 329.400 1.777 20 5 EDBDRO CCc1ccccc1CC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001031663068 697440325 /nfs/dbraw/zinc/44/03/25/697440325.db2.gz QYBBUXQSVBKNCR-IAGOWNOFSA-N 1 0 331.416 1.505 20 5 EDBDRO COc1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000940108183 700220581 /nfs/dbraw/zinc/22/05/81/700220581.db2.gz ZANWJGPNEOHDLB-HZPDHXFCSA-N 1 0 347.415 1.831 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)cc([N+](=O)[O-])c1F ZINC000180076557 698566846 /nfs/dbraw/zinc/56/68/46/698566846.db2.gz HJMANPYLMREEAU-NSHDSACASA-N 1 0 345.396 1.615 20 5 EDBDRO Cc1cc(F)ccc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996430026 702783891 /nfs/dbraw/zinc/78/38/91/702783891.db2.gz YOFBDGPEZVTJOG-HZPDHXFCSA-N 1 0 335.379 1.880 20 5 EDBDRO Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)no1 ZINC000946589419 704158786 /nfs/dbraw/zinc/15/87/86/704158786.db2.gz YBXPQYYRSGGRIU-OCVGTWLNSA-N 1 0 348.403 1.319 20 5 EDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC1CC3(C1)OCCO3)OCCO2 ZINC000922798033 704364517 /nfs/dbraw/zinc/36/45/17/704364517.db2.gz ICBKACODOKKQTC-UHFFFAOYSA-N 1 0 336.344 1.609 20 5 EDBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1cn[nH]c1 ZINC001002389603 708886506 /nfs/dbraw/zinc/88/65/06/708886506.db2.gz ZWOQQNPLCZCNRB-UHFFFAOYSA-N 1 0 329.360 1.712 20 5 EDBDRO Cc1nc2n(n1)C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000558580667 306240191 /nfs/dbraw/zinc/24/01/91/306240191.db2.gz PNFAUOOJVOWNSS-LBPRGKRZSA-N 1 0 344.375 1.428 20 5 EDBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000133229007 290681222 /nfs/dbraw/zinc/68/12/22/290681222.db2.gz KZTJCKFCIUWFGN-MRVPVSSYSA-N 1 0 335.813 1.690 20 5 EDBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000193268017 290732035 /nfs/dbraw/zinc/73/20/35/290732035.db2.gz NMHGEKDTVHHMEK-GFCCVEGCSA-N 1 0 327.406 1.442 20 5 EDBDRO CC[N@@H+]1CC[C@@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000412837549 304039620 /nfs/dbraw/zinc/03/96/20/304039620.db2.gz JYLNYHQDYLKGSZ-GFCCVEGCSA-N 1 0 335.360 1.119 20 5 EDBDRO Cc1nc(C2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)no1 ZINC000090523379 138279476 /nfs/dbraw/zinc/27/94/76/138279476.db2.gz GYAXTPHXYQSFBL-UHFFFAOYSA-N 1 0 333.348 1.328 20 5 EDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000186887564 236054443 /nfs/dbraw/zinc/05/44/43/236054443.db2.gz YLTKMVAHYQSTLS-ZDUSSCGKSA-N 1 0 335.404 1.441 20 5 EDBDRO CNC(=O)C1CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000564873708 306368191 /nfs/dbraw/zinc/36/81/91/306368191.db2.gz REGVJIQZJPRDPO-UHFFFAOYSA-N 1 0 348.403 1.818 20 5 EDBDRO CC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000414006488 304094315 /nfs/dbraw/zinc/09/43/15/304094315.db2.gz PXGVUFPDGPPRIT-LLVKDONJSA-N 1 0 339.417 1.503 20 5 EDBDRO Cc1ccc([C@H](C)[NH2+]CCCCn2cc(C(N)=O)nn2)cc1[N+](=O)[O-] ZINC000414345578 304109230 /nfs/dbraw/zinc/10/92/30/304109230.db2.gz DTNWKZQTFPVPMY-LBPRGKRZSA-N 1 0 346.391 1.725 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](C)CC2)cc1OC ZINC000096952892 201377834 /nfs/dbraw/zinc/37/78/34/201377834.db2.gz UOFALMULNIITNX-UHFFFAOYSA-N 1 0 337.376 1.780 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CCO1 ZINC000157912062 201404991 /nfs/dbraw/zinc/40/49/91/201404991.db2.gz YGGRFMMPARKJBH-ZANVPECISA-N 1 0 344.209 1.905 20 5 EDBDRO C[NH+]1CCN(CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000073082526 203255156 /nfs/dbraw/zinc/25/51/56/203255156.db2.gz KRLJNCKSYPRIPD-UHFFFAOYSA-N 1 0 338.433 1.051 20 5 EDBDRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000076576118 203358265 /nfs/dbraw/zinc/35/82/65/203358265.db2.gz HMDYPEOHOKOUBO-AGUYFDCRSA-N 1 0 346.387 1.665 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[NH2+]CCCO1 ZINC000415049876 304154609 /nfs/dbraw/zinc/15/46/09/304154609.db2.gz YHPDLRQYBFQYNQ-DOMZBBRYSA-N 1 0 336.392 1.280 20 5 EDBDRO COC(=O)COc1ccc(CN[C@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000415051588 304154792 /nfs/dbraw/zinc/15/47/92/304154792.db2.gz GGVFVQYHSWCMOZ-CQSZACIVSA-N 1 0 339.392 1.610 20 5 EDBDRO Cc1c(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cccc1[N+](=O)[O-] ZINC000193668495 291494428 /nfs/dbraw/zinc/49/44/28/291494428.db2.gz IMOPMAQZDVGAFC-CYBMUJFWSA-N 1 0 348.403 1.363 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000567147079 306439433 /nfs/dbraw/zinc/43/94/33/306439433.db2.gz MNNGSYIJQNHSNQ-SWLSCSKDSA-N 1 0 336.392 1.885 20 5 EDBDRO CC[NH+](CC)CC(=O)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000103492342 204082595 /nfs/dbraw/zinc/08/25/95/204082595.db2.gz APEDPHXHMKPSEV-UHFFFAOYSA-N 1 0 348.447 1.623 20 5 EDBDRO COC(=O)c1cc(C(=O)NCCC2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000102640916 204045151 /nfs/dbraw/zinc/04/51/51/204045151.db2.gz KEFOBGRMTCBRDM-UHFFFAOYSA-N 1 0 349.387 1.843 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000106444555 204194942 /nfs/dbraw/zinc/19/49/42/204194942.db2.gz OSABMBDNFFPYBB-AWEZNQCLSA-N 1 0 336.392 1.721 20 5 EDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC000107888853 204250372 /nfs/dbraw/zinc/25/03/72/204250372.db2.gz JOHZZBFKGZOGSF-LLVKDONJSA-N 1 0 336.348 1.883 20 5 EDBDRO CC(C)[NH2+]C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000108368332 204259893 /nfs/dbraw/zinc/25/98/93/204259893.db2.gz BZWJIYJYVTTXAO-MRXNPFEDSA-N 1 0 337.420 1.797 20 5 EDBDRO [NH3+]C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000044528913 204301356 /nfs/dbraw/zinc/30/13/56/204301356.db2.gz ONEBXEUOXGUQGL-SECBINFHSA-N 1 0 333.797 1.608 20 5 EDBDRO COc1cc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000237087441 139040228 /nfs/dbraw/zinc/04/02/28/139040228.db2.gz LNZBNVNHGVEMMN-GFCCVEGCSA-N 1 0 345.421 1.597 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]([NH3+])C2CC2)cc1SC ZINC000237121655 139041273 /nfs/dbraw/zinc/04/12/73/139041273.db2.gz QRJFMFOOCIQCOO-JTQLQIEISA-N 1 0 325.390 1.792 20 5 EDBDRO CN(C1CC[NH2+]CC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000237122879 139041305 /nfs/dbraw/zinc/04/13/05/139041305.db2.gz XGMMSTHJBWBHHZ-UHFFFAOYSA-N 1 0 333.797 1.621 20 5 EDBDRO COc1ccc(CSCC(=O)N(C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000237248251 139045679 /nfs/dbraw/zinc/04/56/79/139045679.db2.gz HITVZHAKDJQJFE-JTQLQIEISA-N 1 0 327.406 1.642 20 5 EDBDRO COCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000237318955 139047719 /nfs/dbraw/zinc/04/77/19/139047719.db2.gz NRLOWKLHBLGDMN-UHFFFAOYSA-N 1 0 336.392 1.161 20 5 EDBDRO COc1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000237322978 139047851 /nfs/dbraw/zinc/04/78/51/139047851.db2.gz OTZHPJYJPCKLCL-LLVKDONJSA-N 1 0 343.405 1.271 20 5 EDBDRO C[NH2+]CC1CCN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000237361070 139049259 /nfs/dbraw/zinc/04/92/59/139049259.db2.gz RMJSWPMGSQVRLB-UHFFFAOYSA-N 1 0 343.405 1.224 20 5 EDBDRO CC[NH+]1CCC(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000130905018 205264883 /nfs/dbraw/zinc/26/48/83/205264883.db2.gz ZSCPQTVYBASKAN-UHFFFAOYSA-N 1 0 343.387 1.995 20 5 EDBDRO CNC(=O)c1ccc(N2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000131705463 205299904 /nfs/dbraw/zinc/29/99/04/205299904.db2.gz MCBOYPFEXMSQGA-CYBMUJFWSA-N 1 0 332.404 1.877 20 5 EDBDRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000111352912 220143580 /nfs/dbraw/zinc/14/35/80/220143580.db2.gz CGCVFSCIPHGWJZ-GFCCVEGCSA-N 1 0 345.396 1.887 20 5 EDBDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157790917 206156665 /nfs/dbraw/zinc/15/66/65/206156665.db2.gz YPHHADPLGOTKIO-KBPBESRZSA-N 1 0 337.424 1.808 20 5 EDBDRO C[NH+](C)[C@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000162117915 206385521 /nfs/dbraw/zinc/38/55/21/206385521.db2.gz RTRLFYGKNIKSBS-ZDUSSCGKSA-N 1 0 327.406 1.103 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000415343746 304198617 /nfs/dbraw/zinc/19/86/17/304198617.db2.gz CCNHSGBTHPMZGJ-YPMHNXCESA-N 1 0 348.403 1.600 20 5 EDBDRO C[N@@H+]1CC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000248128964 139158461 /nfs/dbraw/zinc/15/84/61/139158461.db2.gz WCVFHVVWSJZHNX-DOTOQJQBSA-N 1 0 343.387 1.743 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000248436071 139163829 /nfs/dbraw/zinc/16/38/29/139163829.db2.gz ALMHKKIPOTWWQM-HUUCEWRRSA-N 1 0 335.404 1.505 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000249191621 139188960 /nfs/dbraw/zinc/18/89/60/139188960.db2.gz PIJCEABCCCGGDY-WFASDCNBSA-N 1 0 348.403 1.722 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000415445927 304220237 /nfs/dbraw/zinc/22/02/37/304220237.db2.gz PDIRPAGLXPEQLQ-MFKMUULPSA-N 1 0 334.376 1.291 20 5 EDBDRO CCCN(c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000261713489 139219785 /nfs/dbraw/zinc/21/97/85/139219785.db2.gz LJNFLTLMNIQYDR-LLVKDONJSA-N 1 0 342.421 1.081 20 5 EDBDRO O=C(CC[C@@H]1CCC[NH2+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000261760593 139223887 /nfs/dbraw/zinc/22/38/87/139223887.db2.gz VUDGBHVZQHJKEC-AWEZNQCLSA-N 1 0 332.404 1.776 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000261878113 139233325 /nfs/dbraw/zinc/23/33/25/139233325.db2.gz MFFRMRXIYOFSBQ-QWRGUYRKSA-N 1 0 343.405 1.209 20 5 EDBDRO COC(=O)COc1ccc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000261997001 139242679 /nfs/dbraw/zinc/24/26/79/139242679.db2.gz SXSHFQZBQOGLOV-OKILXGFUSA-N 1 0 349.387 1.473 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415504085 304225326 /nfs/dbraw/zinc/22/53/26/304225326.db2.gz OUUNQHXEJGSXNJ-LLVKDONJSA-N 1 0 330.291 1.722 20 5 EDBDRO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000111829753 206988020 /nfs/dbraw/zinc/98/80/20/206988020.db2.gz FBQMXZNHSNRWPH-VIFPVBQESA-N 1 0 335.813 1.900 20 5 EDBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174724848 207050051 /nfs/dbraw/zinc/05/00/51/207050051.db2.gz XWRBJNAJMSSOOD-CYBMUJFWSA-N 1 0 335.320 1.192 20 5 EDBDRO O=C(NC[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1CCC[NH2+]1 ZINC000262179455 139257739 /nfs/dbraw/zinc/25/77/39/139257739.db2.gz INAMCGZNTRQRCL-NVXWUHKLSA-N 1 0 346.431 1.675 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000112511373 207085527 /nfs/dbraw/zinc/08/55/27/207085527.db2.gz STTUWXRNBUSXMT-QWRGUYRKSA-N 1 0 343.405 1.351 20 5 EDBDRO [NH3+]CCCNC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416876773 251115834 /nfs/dbraw/zinc/11/58/34/251115834.db2.gz CMIUHEJAEOIMJX-UHFFFAOYSA-N 1 0 349.313 1.674 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000262320943 139269875 /nfs/dbraw/zinc/26/98/75/139269875.db2.gz QXIRSZLDLKTWDK-UWVGGRQHSA-N 1 0 347.824 1.914 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262328625 139270590 /nfs/dbraw/zinc/27/05/90/139270590.db2.gz SDABASBJNXEELV-NEPJUHHUSA-N 1 0 325.390 1.418 20 5 EDBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000175797684 207161947 /nfs/dbraw/zinc/16/19/47/207161947.db2.gz NWOMFHBWJBYZBX-GFCCVEGCSA-N 1 0 336.392 1.264 20 5 EDBDRO CN1CC[NH2+]C[C@H]1CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417726234 251245257 /nfs/dbraw/zinc/24/52/57/251245257.db2.gz MJJAOTWIJUSKOG-INIZCTEOSA-N 1 0 349.435 1.120 20 5 EDBDRO CC1(C)CCC[NH2+][C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262549384 139285953 /nfs/dbraw/zinc/28/59/53/139285953.db2.gz SEABOGURKGXQPG-CYBMUJFWSA-N 1 0 327.406 1.651 20 5 EDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418580476 251379165 /nfs/dbraw/zinc/37/91/65/251379165.db2.gz XSBAEJPCNRXBHA-ABAIWWIYSA-N 1 0 334.376 1.508 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000422868673 252005078 /nfs/dbraw/zinc/00/50/78/252005078.db2.gz VHZOEKUIGJSPDR-QMTHXVAHSA-N 1 0 335.360 1.629 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423057346 252028590 /nfs/dbraw/zinc/02/85/90/252028590.db2.gz HDVBTONOYGSDQX-ZDUSSCGKSA-N 1 0 343.387 1.757 20 5 EDBDRO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000423670928 252065831 /nfs/dbraw/zinc/06/58/31/252065831.db2.gz MTDAJOJXTUGVSK-PELKAZGASA-N 1 0 342.193 1.848 20 5 EDBDRO COCC[C@@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]C1 ZINC000423840362 252088967 /nfs/dbraw/zinc/08/89/67/252088967.db2.gz IPSIRWFLBJOEJQ-HNNXBMFYSA-N 1 0 341.795 1.881 20 5 EDBDRO Cn1cc([C@@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@H]2[NH3+])cn1 ZINC000424411374 252217398 /nfs/dbraw/zinc/21/73/98/252217398.db2.gz ASTPVMGPHYMUAK-UONOGXRCSA-N 1 0 330.348 1.287 20 5 EDBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@@H](N4CC[NH2+]CC4)C3)ccc2c1 ZINC000261765808 285149654 /nfs/dbraw/zinc/14/96/54/285149654.db2.gz WFZMDTFHNVOIST-OAHLLOKOSA-N 1 0 327.388 1.627 20 5 EDBDRO [NH3+]CCCN(CC1CCCC1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415713355 304260578 /nfs/dbraw/zinc/26/05/78/304260578.db2.gz SSIAAPFXCSWIIU-UHFFFAOYSA-N 1 0 348.403 1.901 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415723470 304261399 /nfs/dbraw/zinc/26/13/99/304261399.db2.gz JIABSNMOTVGOKZ-JOCQHMNTSA-N 1 0 348.403 1.723 20 5 EDBDRO CCOc1cc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000449720671 254645524 /nfs/dbraw/zinc/64/55/24/254645524.db2.gz SODPTOUYMAFPAL-WDEREUQCSA-N 1 0 337.376 1.859 20 5 EDBDRO O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CCC[N@H+]3CCCO)cc2N1 ZINC000450597163 254679746 /nfs/dbraw/zinc/67/97/46/254679746.db2.gz OTFULVGJFXBQAW-CYBMUJFWSA-N 1 0 348.403 1.738 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1[N+](=O)[O-] ZINC000474006331 255019203 /nfs/dbraw/zinc/01/92/03/255019203.db2.gz ATVYJWYBOFGIEW-JOCQHMNTSA-N 1 0 338.360 1.540 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H](C)C[NH+](C)C)c1 ZINC000490052906 255076849 /nfs/dbraw/zinc/07/68/49/255076849.db2.gz ILDGHCXKJSFGPG-NSHDSACASA-N 1 0 329.422 1.688 20 5 EDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC[N@H+]1CCO ZINC000493456332 255209544 /nfs/dbraw/zinc/20/95/44/255209544.db2.gz QSPHELVRWDNQPG-CXOKCQFOSA-N 1 0 333.388 1.571 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NCCOCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000493881571 255224890 /nfs/dbraw/zinc/22/48/90/255224890.db2.gz DWVFLYQFFIWBGH-UHFFFAOYSA-N 1 0 345.421 1.068 20 5 EDBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)C1 ZINC000495544471 255298198 /nfs/dbraw/zinc/29/81/98/255298198.db2.gz VYNVRPNVRMNQLI-RYUDHWBXSA-N 1 0 325.369 1.248 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000267276550 139593712 /nfs/dbraw/zinc/59/37/12/139593712.db2.gz NXGIVWYOTUWJOF-MNOVXSKESA-N 1 0 342.421 1.527 20 5 EDBDRO COc1cc(C(=O)NC2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000269122106 139879703 /nfs/dbraw/zinc/87/97/03/139879703.db2.gz UEHQYPMOXXISNJ-UHFFFAOYSA-N 1 0 345.302 1.687 20 5 EDBDRO C[N@H+](CCCO)C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000270386881 140090521 /nfs/dbraw/zinc/09/05/21/140090521.db2.gz QZESCLNYJVLGSH-UHFFFAOYSA-N 1 0 327.406 1.575 20 5 EDBDRO CCc1ccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)OC)cc1[N+](=O)[O-] ZINC000270715622 140154279 /nfs/dbraw/zinc/15/42/79/140154279.db2.gz HFEGDMZBOYOQQQ-ZDUSSCGKSA-N 1 0 346.343 1.394 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@@H]1[NH+](C)C ZINC000270774011 140166185 /nfs/dbraw/zinc/16/61/85/140166185.db2.gz FJSCFUNMKWOQCS-WBMJQRKESA-N 1 0 343.387 1.803 20 5 EDBDRO C[C@H](C[NH+]1CCOCC1)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000271084832 140233452 /nfs/dbraw/zinc/23/34/52/140233452.db2.gz GXXWTMYCXPNKEB-CYBMUJFWSA-N 1 0 336.392 1.091 20 5 EDBDRO COc1cc(OCC(=O)NCC2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000272003820 140385965 /nfs/dbraw/zinc/38/59/65/140385965.db2.gz RXYFCEJHRIEMOM-UHFFFAOYSA-N 1 0 335.360 1.360 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](CO)c1ccsc1 ZINC000352032098 296516249 /nfs/dbraw/zinc/51/62/49/296516249.db2.gz JIQBPNUXIWUTQG-CHWSQXEVSA-N 1 0 338.385 1.719 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000331623370 141058198 /nfs/dbraw/zinc/05/81/98/141058198.db2.gz RILDYYPPBXXACX-CVEARBPZSA-N 1 0 348.403 1.328 20 5 EDBDRO O=C(NCCNc1cc[nH+]cc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000340302976 142335519 /nfs/dbraw/zinc/33/55/19/142335519.db2.gz UAIXSCUZWFOHTE-UHFFFAOYSA-N 1 0 329.360 1.366 20 5 EDBDRO COCC[C@](C)(O)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000341602850 142599111 /nfs/dbraw/zinc/59/91/11/142599111.db2.gz XQHVWPZEGVMFKF-WBMJQRKESA-N 1 0 339.392 1.689 20 5 EDBDRO Cn1c(C(=O)N2CC[NH+](CC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000345942611 143149679 /nfs/dbraw/zinc/14/96/79/143149679.db2.gz VHDPNYXPYJMIML-UHFFFAOYSA-N 1 0 336.392 1.118 20 5 EDBDRO C[N@H+](CCCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000416505150 304325886 /nfs/dbraw/zinc/32/58/86/304325886.db2.gz BDMCJMAFECTLLS-UHFFFAOYSA-N 1 0 341.433 1.889 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000416561112 304331764 /nfs/dbraw/zinc/33/17/64/304331764.db2.gz MNEBNPVAMOFWQZ-CYBMUJFWSA-N 1 0 341.433 1.913 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)c1 ZINC000572843124 306600644 /nfs/dbraw/zinc/60/06/44/306600644.db2.gz PTILCTZGGVWGIZ-DZGCQCFKSA-N 1 0 335.360 1.196 20 5 EDBDRO CC(C)[C@](C)(CO)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000352920477 149215591 /nfs/dbraw/zinc/21/55/91/149215591.db2.gz ZZVOKZCPUJMWTB-HNNXBMFYSA-N 1 0 339.348 1.259 20 5 EDBDRO C[NH2+][C@H](C)CNC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000416899901 304354778 /nfs/dbraw/zinc/35/47/78/304354778.db2.gz HHMRSUQRKJUUNW-SNVBAGLBSA-N 1 0 340.380 1.062 20 5 EDBDRO C[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C[NH+](C)C ZINC000355703454 150366256 /nfs/dbraw/zinc/36/62/56/150366256.db2.gz BQZGUNAGWNQSIQ-GFCCVEGCSA-N 1 0 331.376 1.708 20 5 EDBDRO O=C(CN1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000357075316 150913792 /nfs/dbraw/zinc/91/37/92/150913792.db2.gz GUFSIXZNBQJLJC-UONOGXRCSA-N 1 0 330.388 1.025 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1C ZINC000357412759 151024430 /nfs/dbraw/zinc/02/44/30/151024430.db2.gz BFIAIFPCYKVGOW-STQMWFEESA-N 1 0 343.387 1.993 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000357549826 151064466 /nfs/dbraw/zinc/06/44/66/151064466.db2.gz PLWNXYIENKQIBE-MFKMUULPSA-N 1 0 331.332 1.884 20 5 EDBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000357878206 151181944 /nfs/dbraw/zinc/18/19/44/151181944.db2.gz HUIKJRGWNUOAHY-GFCCVEGCSA-N 1 0 326.401 1.211 20 5 EDBDRO C[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H](C)CN1CCO ZINC000417075554 304369979 /nfs/dbraw/zinc/36/99/79/304369979.db2.gz VFSIUPYAABOMGC-GHMZBOCLSA-N 1 0 340.355 1.653 20 5 EDBDRO C[N@H+](CCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000357996815 151228214 /nfs/dbraw/zinc/22/82/14/151228214.db2.gz YMMLWOOGJNJLEQ-UHFFFAOYSA-N 1 0 334.376 1.593 20 5 EDBDRO COc1cc(C(=O)NCC[N@H+]2CC=C(C)CC2)cc([N+](=O)[O-])c1OC ZINC000358073584 151259962 /nfs/dbraw/zinc/25/99/62/151259962.db2.gz QDZAGWMRUNCAIM-UHFFFAOYSA-N 1 0 349.387 1.994 20 5 EDBDRO C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1=CC[N@H+](C)CC1 ZINC000358390500 151359472 /nfs/dbraw/zinc/35/94/72/151359472.db2.gz XXOPMWICRJLXBD-SNVBAGLBSA-N 1 0 329.360 1.851 20 5 EDBDRO CC[NH+](CC)CCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000358472036 151388722 /nfs/dbraw/zinc/38/87/22/151388722.db2.gz DMCQALLQUONEPQ-UHFFFAOYSA-N 1 0 336.392 1.841 20 5 EDBDRO COc1ccc(C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000173457859 286303268 /nfs/dbraw/zinc/30/32/68/286303268.db2.gz YBOVNAYCSXRION-MRXNPFEDSA-N 1 0 346.387 1.825 20 5 EDBDRO CN1CC[NH+](CC2(C)CCN(c3ccncc3[N+](=O)[O-])CC2)CC1 ZINC000361047508 152289258 /nfs/dbraw/zinc/28/92/58/152289258.db2.gz YNZFKCOQHMIVKH-UHFFFAOYSA-N 1 0 333.436 1.844 20 5 EDBDRO O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cn1 ZINC000361257123 152347027 /nfs/dbraw/zinc/34/70/27/152347027.db2.gz HGLPDMLZLRTSIO-WFASDCNBSA-N 1 0 334.376 1.221 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417181039 304381345 /nfs/dbraw/zinc/38/13/45/304381345.db2.gz NTQPMQJBNGYMRK-SGMGOOAPSA-N 1 0 348.403 1.791 20 5 EDBDRO O=C(CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000363721008 153039231 /nfs/dbraw/zinc/03/92/31/153039231.db2.gz KRZMGQWFEPSMMT-HOTGVXAUSA-N 1 0 348.403 1.064 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3CCOC3)CC2)c1 ZINC000363933657 153100788 /nfs/dbraw/zinc/10/07/88/153100788.db2.gz HZEVEFRQLKFBKO-GFCCVEGCSA-N 1 0 335.360 1.150 20 5 EDBDRO Cc1cc(NCc2nnc3n2CCOC3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000364333271 153207277 /nfs/dbraw/zinc/20/72/77/153207277.db2.gz SZYUZFBTGBUKDL-UHFFFAOYSA-N 1 0 340.343 1.607 20 5 EDBDRO COc1ccc(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000364938240 153376613 /nfs/dbraw/zinc/37/66/13/153376613.db2.gz UANQGOKBAGBIBB-LBPRGKRZSA-N 1 0 337.376 1.132 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000420166068 286382352 /nfs/dbraw/zinc/38/23/52/286382352.db2.gz IEKSBRRHYXXANZ-ZDUSSCGKSA-N 1 0 348.403 1.252 20 5 EDBDRO CO[C@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000417226423 304385971 /nfs/dbraw/zinc/38/59/71/304385971.db2.gz KOBXSKIBDOXTMX-CABCVRRESA-N 1 0 336.392 1.285 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000367142461 154020668 /nfs/dbraw/zinc/02/06/68/154020668.db2.gz WVDYBNTYLYVOHL-CQSZACIVSA-N 1 0 348.403 1.233 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000367473369 154139457 /nfs/dbraw/zinc/13/94/57/154139457.db2.gz FBIFXJRGYPPDEE-CQSZACIVSA-N 1 0 325.390 1.359 20 5 EDBDRO C[C@H](CO)[N@@H+]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000367827800 154287170 /nfs/dbraw/zinc/28/71/70/154287170.db2.gz YJZMCRVCBKRSRZ-SNVBAGLBSA-N 1 0 337.405 1.492 20 5 EDBDRO COC(=O)[C@]12C[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C[C@H]1COCC2 ZINC000369535857 155076145 /nfs/dbraw/zinc/07/61/45/155076145.db2.gz CMZPZWHRUCRLFP-WMLDXEAASA-N 1 0 334.372 1.915 20 5 EDBDRO CC(C)(C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC000574888593 306659358 /nfs/dbraw/zinc/65/93/58/306659358.db2.gz BYMGDBFIKGBOEV-GOSISDBHSA-N 1 0 347.415 1.445 20 5 EDBDRO Cc1nn(CCC(=O)NCC2CC[NH+](C3CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000347518972 161785082 /nfs/dbraw/zinc/78/50/82/161785082.db2.gz MDULAANGXNRXAU-UHFFFAOYSA-N 1 0 349.435 1.789 20 5 EDBDRO CC[N@H+](C[C@@H](C)O)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000352231101 162063077 /nfs/dbraw/zinc/06/30/77/162063077.db2.gz OXSVZWHDVDYFCL-GHMZBOCLSA-N 1 0 325.365 1.633 20 5 EDBDRO CC[NH+](CC)[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000126766070 287427717 /nfs/dbraw/zinc/42/77/17/287427717.db2.gz VUBUWWDGRNYDBG-OAHLLOKOSA-N 1 0 345.403 1.991 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000123240991 222241197 /nfs/dbraw/zinc/24/11/97/222241197.db2.gz PRUMZEQIDXGKPJ-ABAIWWIYSA-N 1 0 348.403 1.170 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000174346186 533684457 /nfs/dbraw/zinc/68/44/57/533684457.db2.gz GKWULKWPZYOHGE-NWDGAFQWSA-N 1 0 346.387 1.603 20 5 EDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000262581189 267942180 /nfs/dbraw/zinc/94/21/80/267942180.db2.gz MBVPZRPLUCDWJO-LBPRGKRZSA-N 1 0 329.360 1.510 20 5 EDBDRO C[C@]1([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000273001236 267958520 /nfs/dbraw/zinc/95/85/20/267958520.db2.gz AALWNFQCRHSRPN-COXVUDFISA-N 1 0 336.388 1.882 20 5 EDBDRO COC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000273308474 268021495 /nfs/dbraw/zinc/02/14/95/268021495.db2.gz TVWNLFVWGPYIEV-AWEZNQCLSA-N 1 0 330.406 1.629 20 5 EDBDRO COC[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000273335131 268028255 /nfs/dbraw/zinc/02/82/55/268028255.db2.gz NFZAMYAKHOBQSH-LLVKDONJSA-N 1 0 337.332 1.277 20 5 EDBDRO Cc1ccc(N2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000273608777 268063868 /nfs/dbraw/zinc/06/38/68/268063868.db2.gz SVRWDQFVEUVFNO-KRWDZBQOSA-N 1 0 345.403 1.283 20 5 EDBDRO CCOC(=O)c1nn(C)cc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000274509418 268154948 /nfs/dbraw/zinc/15/49/48/268154948.db2.gz USHUANMXWGJDEU-UHFFFAOYSA-N 1 0 332.360 1.837 20 5 EDBDRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000274885932 268230286 /nfs/dbraw/zinc/23/02/86/268230286.db2.gz KFPOQIDCHCXYSJ-AWEZNQCLSA-N 1 0 342.355 1.700 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1nncn1C ZINC000275180192 268291125 /nfs/dbraw/zinc/29/11/25/268291125.db2.gz MYSSEJPLQIOWFF-JTQLQIEISA-N 1 0 348.363 1.411 20 5 EDBDRO CC1(C)OCC(CO)([NH2+]CCOc2cccc([N+](=O)[O-])c2)CO1 ZINC000279378817 268826084 /nfs/dbraw/zinc/82/60/84/268826084.db2.gz XQZBEBANBFWEDW-UHFFFAOYSA-N 1 0 326.349 1.077 20 5 EDBDRO COc1cc(S(=O)(=O)NCC2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000274019664 273065802 /nfs/dbraw/zinc/06/58/02/273065802.db2.gz VZOJIKYBZZEFQR-UHFFFAOYSA-N 1 0 341.389 1.144 20 5 EDBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000274110548 273070001 /nfs/dbraw/zinc/07/00/01/273070001.db2.gz VOMQLQBOLKXOHZ-QWRGUYRKSA-N 1 0 325.365 1.539 20 5 EDBDRO C[C@](CO)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000173788379 272934639 /nfs/dbraw/zinc/93/46/39/272934639.db2.gz XPOIBMIBPMBDSY-HUUCEWRRSA-N 1 0 326.397 1.073 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000178013376 272942763 /nfs/dbraw/zinc/94/27/63/272942763.db2.gz GFKSYXRCYQOFFC-YPMHNXCESA-N 1 0 334.376 1.522 20 5 EDBDRO COC[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000279127695 273282167 /nfs/dbraw/zinc/28/21/67/273282167.db2.gz VQNRROZXBNLCIU-HUUCEWRRSA-N 1 0 337.376 1.341 20 5 EDBDRO CCOc1cc(N2CC[NH+](CCC(=O)NC)CC2)ccc1[N+](=O)[O-] ZINC000280207645 273352258 /nfs/dbraw/zinc/35/22/58/273352258.db2.gz JPXKQTNPDNNYSE-UHFFFAOYSA-N 1 0 336.392 1.252 20 5 EDBDRO CC1(C)CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000280297549 273353608 /nfs/dbraw/zinc/35/36/08/273353608.db2.gz FOVHPWLXDULNDZ-KRWDZBQOSA-N 1 0 349.387 1.464 20 5 EDBDRO Cc1cc(OCC(=O)NCC[N@@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000280762708 273395365 /nfs/dbraw/zinc/39/53/65/273395365.db2.gz GPNQIOTWRVCEKA-UHFFFAOYSA-N 1 0 337.376 1.121 20 5 EDBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000282036248 273574277 /nfs/dbraw/zinc/57/42/77/273574277.db2.gz UERJLSDQQSPGIX-LLVKDONJSA-N 1 0 335.360 1.567 20 5 EDBDRO CN(C(=O)C[NH2+][C@@H]1CCC(=O)NC12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000282746876 273711440 /nfs/dbraw/zinc/71/14/40/273711440.db2.gz JURKCIDLQPEHGZ-CQSZACIVSA-N 1 0 346.387 1.349 20 5 EDBDRO C[NH+](C)[C@]1(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCSC1 ZINC000284458622 274209198 /nfs/dbraw/zinc/20/91/98/274209198.db2.gz RSHVLSSJFKJMRC-AWEZNQCLSA-N 1 0 342.396 1.483 20 5 EDBDRO COc1ccc(C(=O)N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)cc1[N+](=O)[O-] ZINC000284528948 274234795 /nfs/dbraw/zinc/23/47/95/274234795.db2.gz FJBPXTRXAIPERB-STQMWFEESA-N 1 0 337.376 1.395 20 5 EDBDRO COC[C@@H]1C[C@H](OC)C[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000284628254 274270486 /nfs/dbraw/zinc/27/04/86/274270486.db2.gz LONDCXMPYIMVRO-JSGCOSHPSA-N 1 0 340.376 1.718 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000067209211 274845861 /nfs/dbraw/zinc/84/58/61/274845861.db2.gz KZNNLZNWNYPBTI-AWEZNQCLSA-N 1 0 343.387 1.619 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC1CC[NH+](C2CCCC2)CC1 ZINC000267200792 274940319 /nfs/dbraw/zinc/94/03/19/274940319.db2.gz OLWBVLBZDNNBFU-UHFFFAOYSA-N 1 0 333.392 1.908 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCN([C@@H]3CC[NH2+]C3)CC2)c2ncccc12 ZINC000261598843 275036426 /nfs/dbraw/zinc/03/64/26/275036426.db2.gz APKIRZNZKRAEDC-CYBMUJFWSA-N 1 0 327.388 1.627 20 5 EDBDRO CCOC(=O)c1ccnc(N2CCC[N@@H+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000077939198 276300481 /nfs/dbraw/zinc/30/04/81/276300481.db2.gz CBEPJOAWKAXAHK-UHFFFAOYSA-N 1 0 334.376 1.841 20 5 EDBDRO C[N@@H+]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000097617833 277050323 /nfs/dbraw/zinc/05/03/23/277050323.db2.gz TXUOJNMCCUKEGD-UHFFFAOYSA-N 1 0 332.404 1.973 20 5 EDBDRO C[N@@H+]1CC[C@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000109848226 277162465 /nfs/dbraw/zinc/16/24/65/277162465.db2.gz GLXZLUZNCOYPPA-CQSZACIVSA-N 1 0 346.431 1.879 20 5 EDBDRO C[NH2+]CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000121544083 277268447 /nfs/dbraw/zinc/26/84/47/277268447.db2.gz REQSDJHLRVNURJ-OAHLLOKOSA-N 1 0 348.403 1.234 20 5 EDBDRO COC(=O)C1CC[NH+](CCCNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286291230 287975277 /nfs/dbraw/zinc/97/52/77/287975277.db2.gz XVGDKZOQPSMPFV-UHFFFAOYSA-N 1 0 336.392 1.864 20 5 EDBDRO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000262010579 278360903 /nfs/dbraw/zinc/36/09/03/278360903.db2.gz WIIOHSMYVZQWAF-NXEZZACHSA-N 1 0 347.824 1.915 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000359987827 278664041 /nfs/dbraw/zinc/66/40/41/278664041.db2.gz WQTZGXIJQAMCEN-CYBMUJFWSA-N 1 0 327.406 1.569 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1C ZINC000261798554 278744182 /nfs/dbraw/zinc/74/41/82/278744182.db2.gz UQYCKEYXDFAATC-CHWSQXEVSA-N 1 0 341.433 1.878 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000370672513 278865335 /nfs/dbraw/zinc/86/53/35/278865335.db2.gz FOHMOGXGFHSAQR-STQMWFEESA-N 1 0 339.417 1.442 20 5 EDBDRO C[C@@H](C[NH+](C)C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000286847167 288103420 /nfs/dbraw/zinc/10/34/20/288103420.db2.gz ASZTXGPMOSVOME-ZDUSSCGKSA-N 1 0 334.420 1.878 20 5 EDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000286842038 288101728 /nfs/dbraw/zinc/10/17/28/288101728.db2.gz WVJBSBKRXIBDPX-OLZOCXBDSA-N 1 0 339.417 1.842 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000374086088 280395613 /nfs/dbraw/zinc/39/56/13/280395613.db2.gz YGCINBNWVQXTGC-OLZOCXBDSA-N 1 0 339.417 1.584 20 5 EDBDRO C[C@@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000420181678 288257001 /nfs/dbraw/zinc/25/70/01/288257001.db2.gz FLUFVJRMMOLVBG-UKRRQHHQSA-N 1 0 334.420 1.601 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000237666524 281261966 /nfs/dbraw/zinc/26/19/66/281261966.db2.gz JLBSMBMSHFTDLE-VXGBXAGGSA-N 1 0 327.406 1.699 20 5 EDBDRO C[C@H]1[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000291669635 289144591 /nfs/dbraw/zinc/14/45/91/289144591.db2.gz CKKKKJSKLFJXRG-DZGCQCFKSA-N 1 0 343.387 1.571 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292190402 289284575 /nfs/dbraw/zinc/28/45/75/289284575.db2.gz LFRUXMFXDIYISS-QGZVFWFLSA-N 1 0 349.387 1.536 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](CS(C)(=O)=O)C1 ZINC000292380520 289330357 /nfs/dbraw/zinc/33/03/57/289330357.db2.gz XKYHDFDLJJXHSF-LBPRGKRZSA-N 1 0 342.417 1.860 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000292551368 289378829 /nfs/dbraw/zinc/37/88/29/289378829.db2.gz HNMVKEZHNOFBJO-SNVBAGLBSA-N 1 0 329.422 1.688 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000292942254 289479218 /nfs/dbraw/zinc/47/92/18/289479218.db2.gz BICORYBAOMULGO-LBPRGKRZSA-N 1 0 334.376 1.939 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000261895663 295195100 /nfs/dbraw/zinc/19/51/00/295195100.db2.gz OJDCMWKXHMPTKH-MNOVXSKESA-N 1 0 343.405 1.351 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418570958 304513784 /nfs/dbraw/zinc/51/37/84/304513784.db2.gz JFVHQNZAASSITG-CJNGLKHVSA-N 1 0 347.419 1.424 20 5 EDBDRO CC[C@@H](NC(=O)C(=O)NCCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000419158226 304572439 /nfs/dbraw/zinc/57/24/39/304572439.db2.gz DMUOFCYWXYOOKD-OAHLLOKOSA-N 1 0 348.403 1.420 20 5 EDBDRO Cc1cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC000376404902 301120513 /nfs/dbraw/zinc/12/05/13/301120513.db2.gz BLEVPVRQBXFBEM-RYUDHWBXSA-N 1 0 334.376 1.703 20 5 EDBDRO CCc1cc(NC[C@@H]2C[NH2+]CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420272502 304741429 /nfs/dbraw/zinc/74/14/29/304741429.db2.gz CMWAGLNUNVNEKK-HNNXBMFYSA-N 1 0 343.387 1.436 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000420414648 301424639 /nfs/dbraw/zinc/42/46/39/301424639.db2.gz FLNSRURLUPRCFH-RYUDHWBXSA-N 1 0 327.406 1.760 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420278622 304742823 /nfs/dbraw/zinc/74/28/23/304742823.db2.gz VWJNIUSGGYLNSC-IUODEOHRSA-N 1 0 341.433 1.570 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000420433022 304757702 /nfs/dbraw/zinc/75/77/02/304757702.db2.gz YQOSCEUKCJOMIC-AAEUAGOBSA-N 1 0 327.406 1.136 20 5 EDBDRO CC(C)C[C@H]1C(=O)NCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293710123 303007217 /nfs/dbraw/zinc/00/72/17/303007217.db2.gz XSBIWRIXCAHQES-HOTGVXAUSA-N 1 0 335.404 1.865 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CCC3(CC[NH2+]C3)CC2)cc([N+](=O)[O-])c1 ZINC000295743120 303261002 /nfs/dbraw/zinc/26/10/02/303261002.db2.gz OZBSKCZBPKTVFP-UHFFFAOYSA-N 1 0 347.371 1.597 20 5 EDBDRO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000297869071 303458929 /nfs/dbraw/zinc/45/89/29/303458929.db2.gz MOVQIMCEXLBOFC-LBPRGKRZSA-N 1 0 336.392 1.688 20 5 EDBDRO COc1ccccc1[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)[NH+](C)C ZINC000301110939 303661557 /nfs/dbraw/zinc/66/15/57/303661557.db2.gz TWODAJBYDDWMJN-NSHDSACASA-N 1 0 332.364 1.690 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000301173938 303664399 /nfs/dbraw/zinc/66/43/99/303664399.db2.gz FTHLBHQHZNFMPN-UHFFFAOYSA-N 1 0 332.404 1.648 20 5 EDBDRO O=C(NCC[NH+]1CCC(O)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000322332318 303767641 /nfs/dbraw/zinc/76/76/41/303767641.db2.gz OIQPBPDRSCWVRG-UHFFFAOYSA-N 1 0 327.768 1.435 20 5 EDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@H+]1CCO ZINC000493569198 447344061 /nfs/dbraw/zinc/34/40/61/447344061.db2.gz RYPLFNNWUPMPQT-HVHJFMEUSA-N 1 0 333.388 1.571 20 5 EDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000423667012 304903764 /nfs/dbraw/zinc/90/37/64/304903764.db2.gz KFDIYFSHYPKDDD-HZMBPMFUSA-N 1 0 329.360 1.557 20 5 EDBDRO CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H](C[NH3+])C1CC1 ZINC000423951377 304920615 /nfs/dbraw/zinc/92/06/15/304920615.db2.gz OZBCAMIGAYKMGV-HNNXBMFYSA-N 1 0 329.360 1.590 20 5 EDBDRO COc1ccc(CSCC(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000423968210 304921447 /nfs/dbraw/zinc/92/14/47/304921447.db2.gz YLYNNGRNAKPUGB-CMPLNLGQSA-N 1 0 339.417 1.642 20 5 EDBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000428654752 305013879 /nfs/dbraw/zinc/01/38/79/305013879.db2.gz CUUXXCVPGLWTKH-OCCSQVGLSA-N 1 0 332.404 1.923 20 5 EDBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000429635679 305033611 /nfs/dbraw/zinc/03/36/11/305033611.db2.gz RFQUQRMHCMQBKM-LLVKDONJSA-N 1 0 325.365 1.859 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC[N@H+](C)Cc2ccccc2)c1 ZINC000430104127 305045635 /nfs/dbraw/zinc/04/56/35/305045635.db2.gz UJNZASLTKJMUGT-UHFFFAOYSA-N 1 0 345.355 1.675 20 5 EDBDRO Cc1c([C@H]2[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)CC(=O)N2C)cnn1C ZINC000431672012 305081559 /nfs/dbraw/zinc/08/15/59/305081559.db2.gz WVSQTWZQOOOWTB-WBVHZDCISA-N 1 0 343.387 1.698 20 5 EDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000432166925 305088610 /nfs/dbraw/zinc/08/86/10/305088610.db2.gz NRQPNOAYBUIBFB-RYUDHWBXSA-N 1 0 344.375 1.683 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000433961880 305115854 /nfs/dbraw/zinc/11/58/54/305115854.db2.gz WQNAMBWPVMVVHO-AWEZNQCLSA-N 1 0 335.404 1.726 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000440441273 305206815 /nfs/dbraw/zinc/20/68/15/305206815.db2.gz HKLHQBOPMVHRMR-JTQLQIEISA-N 1 0 345.808 1.763 20 5 EDBDRO COC(=O)[C@@H](O)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000441249732 305219674 /nfs/dbraw/zinc/21/96/74/305219674.db2.gz ZHCKTWFJIYNJIZ-HNNXBMFYSA-N 1 0 338.360 1.220 20 5 EDBDRO CCOC1CC(O)(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447557234 305282194 /nfs/dbraw/zinc/28/21/94/305282194.db2.gz JECXDVLQZMGMNJ-MYMJJRTCSA-N 1 0 338.408 1.795 20 5 EDBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2CCCC[N@H+]2CCO)s1 ZINC000450608418 305330901 /nfs/dbraw/zinc/33/09/01/305330901.db2.gz CRURLTQDHFPGCC-JTQLQIEISA-N 1 0 337.405 1.858 20 5 EDBDRO CC1(C)COC[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000451808774 305370497 /nfs/dbraw/zinc/37/04/97/305370497.db2.gz HALQXZWPBHZSAF-CQSZACIVSA-N 1 0 335.360 1.907 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H](O)C2CCCCC2)c1 ZINC000518534343 305762251 /nfs/dbraw/zinc/76/22/51/305762251.db2.gz FSJPYHLUOMPEEA-DOTOQJQBSA-N 1 0 338.404 1.865 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000521273673 305787906 /nfs/dbraw/zinc/78/79/06/305787906.db2.gz ZJVKWBQWJZFXNE-STQMWFEESA-N 1 0 339.417 1.584 20 5 EDBDRO C[C@@H](O)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000534870749 306009132 /nfs/dbraw/zinc/00/91/32/306009132.db2.gz DNPRBDMKMQVWJG-CQSZACIVSA-N 1 0 331.372 1.640 20 5 EDBDRO C[N@H+](CC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCSC1 ZINC000535723490 306014905 /nfs/dbraw/zinc/01/49/05/306014905.db2.gz MRHVWMIEJSGEQC-CYBMUJFWSA-N 1 0 339.417 1.527 20 5 EDBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000536585021 306023170 /nfs/dbraw/zinc/02/31/70/306023170.db2.gz WDHJMVKOGSZCOP-UHFFFAOYSA-N 1 0 333.348 1.651 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1=CC[N@H+](C)CC1 ZINC000540875959 306041133 /nfs/dbraw/zinc/04/11/33/306041133.db2.gz QMBXIOMVTDTDRK-UHFFFAOYSA-N 1 0 325.390 1.443 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCN(CCC[NH+]3CCCCC3)CC2)cn1 ZINC000548066015 306119191 /nfs/dbraw/zinc/11/91/91/306119191.db2.gz YAXYHYKTGXHYGF-UHFFFAOYSA-N 1 0 333.436 1.988 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H](CO)[C@@H](O)C3)o2)c1 ZINC000554742178 306197354 /nfs/dbraw/zinc/19/73/54/306197354.db2.gz ULINFNQOVSSJEH-HIFRSBDPSA-N 1 0 347.371 1.467 20 5 EDBDRO Cc1cc(C)c(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000557224591 306226751 /nfs/dbraw/zinc/22/67/51/306226751.db2.gz DDBWHRBUGLNGGV-CQSZACIVSA-N 1 0 347.371 1.842 20 5 EDBDRO C[N@@H+]1C[C@@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@@H]2[C@H]1c1ccccc1 ZINC000377830236 447375725 /nfs/dbraw/zinc/37/57/25/447375725.db2.gz BXWVTHKICORCHB-VNHYZAJKSA-N 1 0 340.387 1.706 20 5 EDBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000493778199 447391656 /nfs/dbraw/zinc/39/16/56/447391656.db2.gz MADIXNQXSKOTCG-ZHACJKMWSA-N 1 0 348.447 1.950 20 5 EDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000378293779 447414046 /nfs/dbraw/zinc/41/40/46/447414046.db2.gz PBOOMUDFGVJART-QWRGUYRKSA-N 1 0 329.360 2.284 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1([NH+](C)C)CC1 ZINC000419811944 447427484 /nfs/dbraw/zinc/42/74/84/447427484.db2.gz IXGCUJPGOYWWDG-UHFFFAOYSA-N 1 0 334.376 1.306 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000045053449 440942885 /nfs/dbraw/zinc/94/28/85/440942885.db2.gz PPBLFGGQIOXDCE-AWEZNQCLSA-N 1 0 331.376 1.080 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000060470486 441245671 /nfs/dbraw/zinc/24/56/71/441245671.db2.gz CBOCZEBNUNNPJO-CYBMUJFWSA-N 1 0 341.371 1.747 20 5 EDBDRO O=C1C[C@]2(CN1)CCC[N@@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000072829163 441263938 /nfs/dbraw/zinc/26/39/38/441263938.db2.gz FBTNGXXMQAECSJ-KRWDZBQOSA-N 1 0 347.371 1.563 20 5 EDBDRO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000081553954 441287625 /nfs/dbraw/zinc/28/76/25/441287625.db2.gz OUDNZFDLLFBWIV-VIFPVBQESA-N 1 0 342.783 1.501 20 5 EDBDRO C[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[NH+]1CCCC1 ZINC000063732767 441347811 /nfs/dbraw/zinc/34/78/11/441347811.db2.gz LCFXWTFNRAJMGM-ZDUSSCGKSA-N 1 0 343.387 1.995 20 5 EDBDRO COc1cc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)c([N+](=O)[O-])cc1O ZINC000106380013 441336532 /nfs/dbraw/zinc/33/65/32/441336532.db2.gz AXDUYDNTSPZWMW-ZDUSSCGKSA-N 1 0 337.376 1.262 20 5 EDBDRO O=C(NCCCC[NH+]1CCOCC1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000062260966 441299040 /nfs/dbraw/zinc/29/90/40/441299040.db2.gz MLUBGEHJDZCEFN-UHFFFAOYSA-N 1 0 346.387 1.918 20 5 EDBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000108306509 441442650 /nfs/dbraw/zinc/44/26/50/441442650.db2.gz REYHCZDTWGSPCB-LLVKDONJSA-N 1 0 329.360 1.685 20 5 EDBDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000064994698 441399804 /nfs/dbraw/zinc/39/98/04/441399804.db2.gz ZRDZCIVBYFUHKO-DZGCQCFKSA-N 1 0 335.404 1.958 20 5 EDBDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000112549506 441550727 /nfs/dbraw/zinc/55/07/27/441550727.db2.gz JPTJOQXFWUCXHC-GXFFZTMASA-N 1 0 344.375 1.426 20 5 EDBDRO C[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000055281504 441636986 /nfs/dbraw/zinc/63/69/86/441636986.db2.gz WBTNMMXQCVHSSU-CYBMUJFWSA-N 1 0 341.433 1.995 20 5 EDBDRO Cc1cc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000114142135 441637117 /nfs/dbraw/zinc/63/71/17/441637117.db2.gz QSNYCOWBSKOAGO-UHFFFAOYSA-N 1 0 348.447 1.907 20 5 EDBDRO CCN1CC[NH+](CCCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000114378766 441649833 /nfs/dbraw/zinc/64/98/33/441649833.db2.gz SASVKZXSENIICD-UHFFFAOYSA-N 1 0 349.435 1.325 20 5 EDBDRO COC(=O)c1cc(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000055539107 441654286 /nfs/dbraw/zinc/65/42/86/441654286.db2.gz PQJFRYUEXLWOLH-LBPRGKRZSA-N 1 0 349.387 1.843 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000067595207 441655597 /nfs/dbraw/zinc/65/55/97/441655597.db2.gz OTVDQNBFWTZCID-QGZVFWFLSA-N 1 0 348.447 1.905 20 5 EDBDRO Cc1c(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)cccc1[N+](=O)[O-] ZINC000090005341 441613193 /nfs/dbraw/zinc/61/31/93/441613193.db2.gz FNRZRTJEHBIHCV-UHFFFAOYSA-N 1 0 332.360 1.419 20 5 EDBDRO C[C@H](CNc1c([N+](=O)[O-])ncn1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000076744575 441682522 /nfs/dbraw/zinc/68/25/22/441682522.db2.gz ONVBAIWOPMEXEY-CQSZACIVSA-N 1 0 344.419 1.951 20 5 EDBDRO COc1ccc(OCC[NH2+][C@@H](C(N)=O)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000173343248 441719134 /nfs/dbraw/zinc/71/91/34/441719134.db2.gz ZJHJCBXDZMAORM-ZDUSSCGKSA-N 1 0 325.365 1.472 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000042055544 441699851 /nfs/dbraw/zinc/69/98/51/441699851.db2.gz HFSRPKYXLHRMFM-UONOGXRCSA-N 1 0 332.360 1.276 20 5 EDBDRO C[C@H]1C[N@@H+](C2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)CCO1 ZINC000091453758 441701791 /nfs/dbraw/zinc/70/17/91/441701791.db2.gz ZFEDXEMFGZLUCP-LBPRGKRZSA-N 1 0 346.391 1.327 20 5 EDBDRO C[N@H+](CCc1ccncc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000121534725 441726930 /nfs/dbraw/zinc/72/69/30/441726930.db2.gz KQHIMWNHNCHWEZ-MRXNPFEDSA-N 1 0 331.372 1.904 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000121766672 441777634 /nfs/dbraw/zinc/77/76/34/441777634.db2.gz QDCILJFSVJTOMM-DGCLKSJQSA-N 1 0 344.375 1.517 20 5 EDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000142093192 441859479 /nfs/dbraw/zinc/85/94/79/441859479.db2.gz HAQFXYBWYYUJSE-AWEZNQCLSA-N 1 0 332.404 1.971 20 5 EDBDRO COc1cc(OCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000068863669 441861668 /nfs/dbraw/zinc/86/16/68/441861668.db2.gz ZAOUOXDPTKDSSS-ZIAGYGMSSA-N 1 0 349.387 1.725 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000123053354 441873843 /nfs/dbraw/zinc/87/38/43/441873843.db2.gz NDJXQEVNIUCFFO-GXSJLCMTSA-N 1 0 331.369 1.624 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000147458018 441908172 /nfs/dbraw/zinc/90/81/72/441908172.db2.gz XGOQZOUPDODSBF-GFCCVEGCSA-N 1 0 336.392 1.171 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000173996093 441876335 /nfs/dbraw/zinc/87/63/35/441876335.db2.gz CUYMIZWREXYAIO-NSHDSACASA-N 1 0 345.396 1.839 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000174025263 441879718 /nfs/dbraw/zinc/87/97/18/441879718.db2.gz JWWSJFXNZWWGOM-CYBMUJFWSA-N 1 0 341.433 1.866 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CC[NH+](C)C)C(C)C ZINC000123439843 441887184 /nfs/dbraw/zinc/88/71/84/441887184.db2.gz XMDADPPYAFQVBA-UHFFFAOYSA-N 1 0 329.422 1.864 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000118097545 441887707 /nfs/dbraw/zinc/88/77/07/441887707.db2.gz NIXSJBUUJIZRLJ-CYBMUJFWSA-N 1 0 334.376 1.442 20 5 EDBDRO CN(CCC[NH3+])S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000124594461 441937707 /nfs/dbraw/zinc/93/77/07/441937707.db2.gz UMWMLJAXSSEWQL-UHFFFAOYSA-N 1 0 342.204 1.871 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000069499342 441953382 /nfs/dbraw/zinc/95/33/82/441953382.db2.gz FANGYZKOCGEXOY-GFCCVEGCSA-N 1 0 337.376 1.444 20 5 EDBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000415444205 447445355 /nfs/dbraw/zinc/44/53/55/447445355.db2.gz ICKWLFHDPKGJCE-CYBMUJFWSA-N 1 0 348.403 1.684 20 5 EDBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](CCO)C(C)C)c([N+](=O)[O-])c1 ZINC000162042467 442057985 /nfs/dbraw/zinc/05/79/85/442057985.db2.gz RRFDVXLLOQTYHU-YPMHNXCESA-N 1 0 339.392 1.927 20 5 EDBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000120518135 442087291 /nfs/dbraw/zinc/08/72/91/442087291.db2.gz QHLJRRPJNJEQLY-RYUDHWBXSA-N 1 0 328.390 1.383 20 5 EDBDRO O=C(N[C@@H]1CC[NH2+]C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000126502108 442117730 /nfs/dbraw/zinc/11/77/30/442117730.db2.gz FBPOSHXLPFPYCJ-MRVPVSSYSA-N 1 0 333.266 1.628 20 5 EDBDRO Cc1c(CC(=O)N2CC[NH+](CC(C)(C)O)CC2)cccc1[N+](=O)[O-] ZINC000121333719 442204352 /nfs/dbraw/zinc/20/43/52/442204352.db2.gz RTHKGRBOUJVNIF-UHFFFAOYSA-N 1 0 335.404 1.361 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000152488336 442219287 /nfs/dbraw/zinc/21/92/87/442219287.db2.gz GRCTZBOMQIGZCV-UHFFFAOYSA-N 1 0 329.784 1.946 20 5 EDBDRO Cc1nn(C)c(C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000154135229 442323185 /nfs/dbraw/zinc/32/31/85/442323185.db2.gz XZJKPKHZLULTDD-ZDUSSCGKSA-N 1 0 337.424 1.877 20 5 EDBDRO CNC(=O)CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000154733023 442354330 /nfs/dbraw/zinc/35/43/30/442354330.db2.gz YSRSTCWHOAVGEQ-GFCCVEGCSA-N 1 0 336.392 1.688 20 5 EDBDRO CN(CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1[N+](=O)[O-] ZINC000155073400 442373964 /nfs/dbraw/zinc/37/39/64/442373964.db2.gz ZATCUUUXSMFCBW-CABCVRRESA-N 1 0 346.431 1.974 20 5 EDBDRO C[C@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000155122874 442376695 /nfs/dbraw/zinc/37/66/95/442376695.db2.gz MZJKZQXLUUJHNI-JTQLQIEISA-N 1 0 327.768 1.837 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000132344019 442391957 /nfs/dbraw/zinc/39/19/57/442391957.db2.gz AVASVNVPRSQWQB-RKDXNWHRSA-N 1 0 333.797 1.606 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[N@@H+](C)C(C)C ZINC000155577031 442409720 /nfs/dbraw/zinc/40/97/20/442409720.db2.gz KKEISUBJNYGCTN-UHFFFAOYSA-N 1 0 329.422 1.830 20 5 EDBDRO [NH3+]C[C@H]1CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 ZINC000178537994 442441925 /nfs/dbraw/zinc/44/19/25/442441925.db2.gz ISROEHOTUYTGLJ-LLVKDONJSA-N 1 0 348.359 1.090 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179801110 442505009 /nfs/dbraw/zinc/50/50/09/442505009.db2.gz YFTYEFCEUWJUHM-TZMCWYRMSA-N 1 0 329.360 1.504 20 5 EDBDRO C[NH+](C)CCCOc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000135219696 442570627 /nfs/dbraw/zinc/57/06/27/442570627.db2.gz PAPCOHUHJRDXSE-UHFFFAOYSA-N 1 0 333.348 1.901 20 5 EDBDRO CCOC(=O)c1cc(N2CC[NH+](C[C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000186626240 442576255 /nfs/dbraw/zinc/57/62/55/442576255.db2.gz BGYNHLLXVVLWFZ-GFCCVEGCSA-N 1 0 337.376 1.274 20 5 EDBDRO CCOc1cc(C(=O)N2CCC([NH2+]C)CC2)c([N+](=O)[O-])cc1OC ZINC000179134489 442579790 /nfs/dbraw/zinc/57/97/90/442579790.db2.gz GPKDKKXVLOXTGU-UHFFFAOYSA-N 1 0 337.376 1.826 20 5 EDBDRO CC(C)[N@H+]1C[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@@H](C)C1 ZINC000181321394 442689997 /nfs/dbraw/zinc/68/99/97/442689997.db2.gz CLFLYJQWEDYWNH-JQWIXIFHSA-N 1 0 335.360 1.782 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000192820548 442690017 /nfs/dbraw/zinc/69/00/17/442690017.db2.gz XOUAWQPFAKDDMV-LSDHHAIUSA-N 1 0 337.420 1.751 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000193208664 442722530 /nfs/dbraw/zinc/72/25/30/442722530.db2.gz HOVGINAVQXGQMZ-LLVKDONJSA-N 1 0 343.405 1.366 20 5 EDBDRO [NH3+]Cc1cc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)co1 ZINC000188107288 442712460 /nfs/dbraw/zinc/71/24/60/442712460.db2.gz DPDSUEXYSVFFBV-UHFFFAOYSA-N 1 0 330.344 1.609 20 5 EDBDRO C[C@H]([NH2+]CC(=O)NCC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000182404332 442764391 /nfs/dbraw/zinc/76/43/91/442764391.db2.gz IOHUHDAYOBTWQZ-NSHDSACASA-N 1 0 337.376 1.703 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1C ZINC000193702360 442769220 /nfs/dbraw/zinc/76/92/20/442769220.db2.gz DOTLXQRBOOMBMG-UHFFFAOYSA-N 1 0 341.433 1.926 20 5 EDBDRO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000188620354 442770808 /nfs/dbraw/zinc/77/08/08/442770808.db2.gz BXFFOKXQGXFFID-XHDPSFHLSA-N 1 0 337.351 1.665 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000265432956 442771228 /nfs/dbraw/zinc/77/12/28/442771228.db2.gz VZTYTOOEAJJUAW-LLVKDONJSA-N 1 0 338.364 1.446 20 5 EDBDRO CCOC(=O)c1ccnc(N2CC[N@H+](C)C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000246739822 442808549 /nfs/dbraw/zinc/80/85/49/442808549.db2.gz YQXJZWATLGHBKE-ZDUSSCGKSA-N 1 0 336.392 1.943 20 5 EDBDRO CC[N@@H+]1CC[C@H](CNC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000183195902 442900765 /nfs/dbraw/zinc/90/07/65/442900765.db2.gz GWTLPYBYRVPFJX-CYBMUJFWSA-N 1 0 348.403 1.091 20 5 EDBDRO CC[NH+]1CCN(CCCNC(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000194403699 442890294 /nfs/dbraw/zinc/89/02/94/442890294.db2.gz JCBGLUBANLSWDV-UHFFFAOYSA-N 1 0 334.420 1.661 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000268189497 442890848 /nfs/dbraw/zinc/89/08/48/442890848.db2.gz DOHGPHDVTYRQFG-BXUZGUMPSA-N 1 0 327.406 1.307 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000189211984 442898055 /nfs/dbraw/zinc/89/80/55/442898055.db2.gz YNKMFJBRQKFIDJ-UHFFFAOYSA-N 1 0 347.396 1.818 20 5 EDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000265978504 442992205 /nfs/dbraw/zinc/99/22/05/442992205.db2.gz YFXXRMDTNSJBRX-LLVKDONJSA-N 1 0 337.376 1.684 20 5 EDBDRO COc1cc(C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000266155404 443037386 /nfs/dbraw/zinc/03/73/86/443037386.db2.gz HUSOYKHHUVXEKP-GXFFZTMASA-N 1 0 337.376 1.634 20 5 EDBDRO C[C@H](C[S@@](C)=O)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000185103627 443138286 /nfs/dbraw/zinc/13/82/86/443138286.db2.gz NCOIETUKSPPLLL-OGXUTIIGSA-N 1 0 330.406 1.033 20 5 EDBDRO Cc1cc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000268816396 443118015 /nfs/dbraw/zinc/11/80/15/443118015.db2.gz IMWLUJJZYDHHOL-MRXNPFEDSA-N 1 0 332.404 1.646 20 5 EDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237272635 443166813 /nfs/dbraw/zinc/16/68/13/443166813.db2.gz OEXQTFWDDWDTKW-OAHLLOKOSA-N 1 0 329.360 1.605 20 5 EDBDRO Cn1cc(C(=O)N2CCC[C@@H](C[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237881888 443185814 /nfs/dbraw/zinc/18/58/14/443185814.db2.gz HUQJRWKPFMTDDF-LBPRGKRZSA-N 1 0 343.387 1.806 20 5 EDBDRO CS(=O)(=O)c1cccc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000262435344 443194396 /nfs/dbraw/zinc/19/43/96/443194396.db2.gz GIIFXZRDPZFFCE-QWRGUYRKSA-N 1 0 325.390 1.044 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000190847796 443195057 /nfs/dbraw/zinc/19/50/57/443195057.db2.gz CUMKAXXLMVWODT-QWHCGFSZSA-N 1 0 339.392 1.295 20 5 EDBDRO CCN(CCC[NH+](C)C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000190854282 443196083 /nfs/dbraw/zinc/19/60/83/443196083.db2.gz VWOJRCZYABNKMH-UHFFFAOYSA-N 1 0 329.422 1.698 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266748367 443227764 /nfs/dbraw/zinc/22/77/64/443227764.db2.gz GKDWHHRNVLTLJV-UHFFFAOYSA-N 1 0 338.408 1.357 20 5 EDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1COc2ccccc21 ZINC000185647943 443232851 /nfs/dbraw/zinc/23/28/51/443232851.db2.gz LAWYXWSFHOIWEM-WFASDCNBSA-N 1 0 329.356 1.911 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])C[C@@H]12 ZINC000262579566 443201780 /nfs/dbraw/zinc/20/17/80/443201780.db2.gz YSMJYZSHXLRENU-FXPVBKGRSA-N 1 0 329.353 1.092 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1C ZINC000262766145 443211891 /nfs/dbraw/zinc/21/18/91/443211891.db2.gz UJQSQMAPPFZTIW-STQMWFEESA-N 1 0 341.433 1.960 20 5 EDBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000185553441 443219046 /nfs/dbraw/zinc/21/90/46/443219046.db2.gz FTMFFSAWAWDBFD-GFCCVEGCSA-N 1 0 335.408 1.670 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CC[NH3+])C(F)F)cc1C ZINC000383326422 319125471 /nfs/dbraw/zinc/12/54/71/319125471.db2.gz UCSYYLXEZILUGD-VIFPVBQESA-N 1 0 337.348 1.472 20 5 EDBDRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397337647 319134156 /nfs/dbraw/zinc/13/41/56/319134156.db2.gz YSGMYGBWBGIJCD-IJLUTSLNSA-N 1 0 327.406 1.589 20 5 EDBDRO CCC[N@H+](CC)CCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000266908012 443287062 /nfs/dbraw/zinc/28/70/62/443287062.db2.gz KLQGJUBZFWDILO-UHFFFAOYSA-N 1 0 339.392 1.830 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000185971093 443292326 /nfs/dbraw/zinc/29/23/26/443292326.db2.gz BRYGGAGISNCROG-DOMZBBRYSA-N 1 0 339.417 1.700 20 5 EDBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000185847877 443268417 /nfs/dbraw/zinc/26/84/17/443268417.db2.gz KPJWPYGIGVGMLO-UHFFFAOYSA-N 1 0 341.433 1.995 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000264472732 443304009 /nfs/dbraw/zinc/30/40/09/443304009.db2.gz GRHOQEQARCDSGU-AWEZNQCLSA-N 1 0 348.403 1.620 20 5 EDBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000264528599 443314890 /nfs/dbraw/zinc/31/48/90/443314890.db2.gz NVSJTLKXNGNMRA-KRWDZBQOSA-N 1 0 346.431 1.837 20 5 EDBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000264545776 443321005 /nfs/dbraw/zinc/32/10/05/443321005.db2.gz BTJKANOETAIHCS-INIZCTEOSA-N 1 0 343.387 1.895 20 5 EDBDRO CC(C)[N@H+](C)CCCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000264567509 443329511 /nfs/dbraw/zinc/32/95/11/443329511.db2.gz ADIZNMQLQJWUOI-UHFFFAOYSA-N 1 0 337.376 1.633 20 5 EDBDRO Cc1cc(C(=O)N(C)CCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000264606839 443344853 /nfs/dbraw/zinc/34/48/53/443344853.db2.gz GRVGNADJCFIWEN-UHFFFAOYSA-N 1 0 334.420 1.613 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000264620375 443349710 /nfs/dbraw/zinc/34/97/10/443349710.db2.gz NMQMVMQVDVJQRA-GFCCVEGCSA-N 1 0 343.405 1.318 20 5 EDBDRO CC(=O)c1ccc(N(C)CCCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000264640495 443357992 /nfs/dbraw/zinc/35/79/92/443357992.db2.gz MPWAAZBKVZZRMN-UHFFFAOYSA-N 1 0 334.420 1.871 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1OC ZINC000272557249 443362693 /nfs/dbraw/zinc/36/26/93/443362693.db2.gz DONSDWAXUMJGGO-FZMZJTMJSA-N 1 0 349.387 1.778 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](CO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000278581032 443367701 /nfs/dbraw/zinc/36/77/01/443367701.db2.gz CSDINMWYCPZPPX-AWEZNQCLSA-N 1 0 339.392 1.929 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](COc3ccccc3)C2)c1 ZINC000272584080 443371969 /nfs/dbraw/zinc/37/19/69/443371969.db2.gz ONWIVGORVPCSHM-GDBMZVCRSA-N 1 0 346.387 1.553 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272585173 443371986 /nfs/dbraw/zinc/37/19/86/443371986.db2.gz SDEDLDDGMLUNNT-UHFFFAOYSA-N 1 0 345.346 1.723 20 5 EDBDRO COC(=O)CCN(Cc1cccc([N+](=O)[O-])c1)CC(OC)OC ZINC000272729951 443424562 /nfs/dbraw/zinc/42/45/62/443424562.db2.gz BWIQPHBJQKPVDM-UHFFFAOYSA-N 1 0 326.349 1.579 20 5 EDBDRO COC(=O)[C@H]1CC12CC[NH+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000269686167 443396402 /nfs/dbraw/zinc/39/64/02/443396402.db2.gz ZVCDRSYFXGWPSR-CABCVRRESA-N 1 0 334.372 1.903 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000272793835 443446771 /nfs/dbraw/zinc/44/67/71/443446771.db2.gz CWXXEPLEJZHHRK-MNOVXSKESA-N 1 0 342.421 1.527 20 5 EDBDRO Cc1c(C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000273050142 443528225 /nfs/dbraw/zinc/52/82/25/443528225.db2.gz WTVOOYUTWANKRH-HNNXBMFYSA-N 1 0 336.348 1.931 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000272257436 443570515 /nfs/dbraw/zinc/57/05/15/443570515.db2.gz MJVRYCQXJDYIEG-AAEUAGOBSA-N 1 0 329.360 1.590 20 5 EDBDRO COc1ccc(F)cc1CN1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273631527 443583270 /nfs/dbraw/zinc/58/32/70/443583270.db2.gz QLUTWVUTJOLBGS-UHFFFAOYSA-N 1 0 347.350 1.855 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000265162664 443554831 /nfs/dbraw/zinc/55/48/31/443554831.db2.gz BYEQWHSILABQRO-LLVKDONJSA-N 1 0 335.360 1.390 20 5 EDBDRO C[C@@H](CN1CCOCC1)N(C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000279803974 443629647 /nfs/dbraw/zinc/62/96/47/443629647.db2.gz WZIZIHCXEUCSEY-ZDUSSCGKSA-N 1 0 336.392 1.186 20 5 EDBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCC[C@@H]1CCC[NH2+]C1 ZINC000429218912 319924871 /nfs/dbraw/zinc/92/48/71/319924871.db2.gz JDEMUFAKQXNKRL-LBPRGKRZSA-N 1 0 349.387 1.414 20 5 EDBDRO COCC[N@H+](C)CCCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286099818 443646387 /nfs/dbraw/zinc/64/63/87/443646387.db2.gz LAODJIRYUMOQOY-UHFFFAOYSA-N 1 0 335.364 1.624 20 5 EDBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000440065574 320061074 /nfs/dbraw/zinc/06/10/74/320061074.db2.gz WACFWBIYBNOQCS-LLVKDONJSA-N 1 0 329.422 1.912 20 5 EDBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000440069554 320061083 /nfs/dbraw/zinc/06/10/83/320061083.db2.gz HLMCRSRFZCLGEZ-GFCCVEGCSA-N 1 0 329.422 1.912 20 5 EDBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000440075547 320061253 /nfs/dbraw/zinc/06/12/53/320061253.db2.gz HNTBWMPEWWFMLV-CYBMUJFWSA-N 1 0 343.449 1.787 20 5 EDBDRO COc1cc(C(=O)N2CC[N@H+](C)CC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000448983343 320170158 /nfs/dbraw/zinc/17/01/58/320170158.db2.gz ZUSAQISIUHHXFF-SNVBAGLBSA-N 1 0 325.340 1.909 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2COCC2(C)C)cc1[N+](=O)[O-] ZINC000449622179 320195409 /nfs/dbraw/zinc/19/54/09/320195409.db2.gz CXUXEJOLAOIDNB-AWEZNQCLSA-N 1 0 338.360 1.661 20 5 EDBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000450628783 320221271 /nfs/dbraw/zinc/22/12/71/320221271.db2.gz WRWRGTNJLPPJKV-CYBMUJFWSA-N 1 0 347.293 1.410 20 5 EDBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1ccc([N+](=O)[O-])cc1Cl ZINC000452396164 320248940 /nfs/dbraw/zinc/24/89/40/320248940.db2.gz XWPSTNCBBIZONW-LBPRGKRZSA-N 1 0 341.795 1.825 20 5 EDBDRO C[C@@H](CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[NH+](C)C ZINC000455443398 320303133 /nfs/dbraw/zinc/30/31/33/320303133.db2.gz PVVQKWLJJZBQKY-ZDUSSCGKSA-N 1 0 335.408 1.377 20 5 EDBDRO COC(=O)c1cc(C(=O)NC(C)(C)C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000457043070 320318285 /nfs/dbraw/zinc/31/82/85/320318285.db2.gz WTWQQAAGLDTTEV-UHFFFAOYSA-N 1 0 349.387 1.986 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000491564310 320372214 /nfs/dbraw/zinc/37/22/14/320372214.db2.gz WUBBXRVOPUAENI-FSNWXROXSA-N 1 0 333.388 1.835 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(c3ncnc4sc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000286296124 443685077 /nfs/dbraw/zinc/68/50/77/443685077.db2.gz VJXASWBHTALGPA-QWRGUYRKSA-N 1 0 335.389 1.509 20 5 EDBDRO CN1CCO[C@H](CN(CC2CC2)C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000276448879 443708767 /nfs/dbraw/zinc/70/87/67/443708767.db2.gz MKZKVJWMXLDWTL-KRWDZBQOSA-N 1 0 347.415 1.707 20 5 EDBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000298285186 443738371 /nfs/dbraw/zinc/73/83/71/443738371.db2.gz AWPIWLRQLRTZMU-PHIMTYICSA-N 1 0 327.406 1.885 20 5 EDBDRO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000280752517 443743965 /nfs/dbraw/zinc/74/39/65/443743965.db2.gz NLLNPGJEJFIBEC-UXIGCNINSA-N 1 0 338.360 1.075 20 5 EDBDRO COc1cc(N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000285004441 443817582 /nfs/dbraw/zinc/81/75/82/443817582.db2.gz MACVMWQJJJZTGP-ZIAGYGMSSA-N 1 0 325.340 1.652 20 5 EDBDRO CC[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000281067824 443809073 /nfs/dbraw/zinc/80/90/73/443809073.db2.gz AEABAPJHEFABAV-UHFFFAOYSA-N 1 0 339.776 1.617 20 5 EDBDRO CN(CCCN1C(=O)CNC1=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000298790927 443869334 /nfs/dbraw/zinc/86/93/34/443869334.db2.gz RLJNXCRYBUCMCJ-UHFFFAOYSA-N 1 0 340.767 1.622 20 5 EDBDRO COC(=O)[C@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000298817384 443876627 /nfs/dbraw/zinc/87/66/27/443876627.db2.gz WXVJLABPIRUUOR-VIFPVBQESA-N 1 0 341.751 1.682 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)c1F ZINC000285300904 443933540 /nfs/dbraw/zinc/93/35/40/443933540.db2.gz PMTWFRVHHHESOS-KGLIPLIRSA-N 1 0 337.351 1.587 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCOC[C@@H]1C ZINC000277524684 444000004 /nfs/dbraw/zinc/00/00/04/444000004.db2.gz RBBWYTMGBUCSRK-AAEUAGOBSA-N 1 0 337.376 1.947 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000548370393 320877491 /nfs/dbraw/zinc/87/74/91/320877491.db2.gz RDUSBSLCVVPKLY-LBPRGKRZSA-N 1 0 327.406 1.666 20 5 EDBDRO CC(C)n1cc([C@]2(O)CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000285536362 444020299 /nfs/dbraw/zinc/02/02/99/444020299.db2.gz PQIYTAVWFZEDQE-INIZCTEOSA-N 1 0 331.376 1.861 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)C[C@H](C)OC ZINC000285662112 444064288 /nfs/dbraw/zinc/06/42/88/444064288.db2.gz MFQRRGXQLMUYSL-WDEREUQCSA-N 1 0 325.365 1.897 20 5 EDBDRO CN(C[C@H](O)C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000563010094 321087506 /nfs/dbraw/zinc/08/75/06/321087506.db2.gz DXMQHMBNUNDCHV-OAHLLOKOSA-N 1 0 332.404 1.663 20 5 EDBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000563791922 321113759 /nfs/dbraw/zinc/11/37/59/321113759.db2.gz GCJQJOGMRMNMOB-ZDUSSCGKSA-N 1 0 336.392 1.839 20 5 EDBDRO Cc1nccn1CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570037580 321335309 /nfs/dbraw/zinc/33/53/09/321335309.db2.gz TTXMXEVZDAKCTJ-UHFFFAOYSA-N 1 0 338.389 1.163 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000571552142 321391772 /nfs/dbraw/zinc/39/17/72/321391772.db2.gz PRJXKCNBEZWAFZ-UKRRQHHQSA-N 1 0 338.408 1.624 20 5 EDBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000299690026 444117084 /nfs/dbraw/zinc/11/70/84/444117084.db2.gz ZBVHPFRWRJIONN-AWEZNQCLSA-N 1 0 348.447 1.907 20 5 EDBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000573220152 321444915 /nfs/dbraw/zinc/44/49/15/321444915.db2.gz ZQEVDIZCKZAKME-CYBMUJFWSA-N 1 0 348.403 1.385 20 5 EDBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301281292 444161019 /nfs/dbraw/zinc/16/10/19/444161019.db2.gz MUAGUGZPVREDTM-NEPJUHHUSA-N 1 0 329.360 1.276 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1 ZINC000289522482 444164368 /nfs/dbraw/zinc/16/43/68/444164368.db2.gz RQRWCTOLZPOHDK-OAHLLOKOSA-N 1 0 327.388 1.928 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+](CCO)C(C)(C)C2)c1 ZINC000302540929 444215604 /nfs/dbraw/zinc/21/56/04/444215604.db2.gz NSTWTWWRIOIRQJ-UHFFFAOYSA-N 1 0 337.376 1.274 20 5 EDBDRO COC(=O)c1cc(NC(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)cc([N+](=O)[O-])c1 ZINC000289702307 444192854 /nfs/dbraw/zinc/19/28/54/444192854.db2.gz TUSQHLHHGYCBQL-KGLIPLIRSA-N 1 0 335.360 1.954 20 5 EDBDRO CC1(C)[C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]2CCO[C@H]21 ZINC000296105426 444205050 /nfs/dbraw/zinc/20/50/50/444205050.db2.gz IBEDRWGNTFFQGR-KBRIMQKVSA-N 1 0 345.399 1.887 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC2CC[NH2+]CC2)cc1OC ZINC000297278026 444280312 /nfs/dbraw/zinc/28/03/12/444280312.db2.gz TWHOCNGPWKYNEQ-UHFFFAOYSA-N 1 0 337.376 1.732 20 5 EDBDRO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(Cc1ccccc1[N+](=O)[O-])C2=O ZINC000578190395 321735544 /nfs/dbraw/zinc/73/55/44/321735544.db2.gz GSVQPNDOLJAUGR-LRDDRELGSA-N 1 0 332.360 1.534 20 5 EDBDRO COc1c(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cccc1[N+](=O)[O-] ZINC000331047691 444373255 /nfs/dbraw/zinc/37/32/55/444373255.db2.gz HALURTCQVBDNNP-OLZOCXBDSA-N 1 0 339.417 1.721 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1CO ZINC000297766413 444330931 /nfs/dbraw/zinc/33/09/31/444330931.db2.gz FVRBPOAYYDZCEV-CYBMUJFWSA-N 1 0 337.376 1.779 20 5 EDBDRO Cc1c(C(=O)NCCC[NH2+]C2CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000581667502 322206650 /nfs/dbraw/zinc/20/66/50/322206650.db2.gz CIVGELJRPBPSNQ-UHFFFAOYSA-N 1 0 344.375 1.356 20 5 EDBDRO C[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000343999254 444719105 /nfs/dbraw/zinc/71/91/05/444719105.db2.gz FPUXTXHHRMUIQD-DZGCQCFKSA-N 1 0 334.420 1.833 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000341323111 444778777 /nfs/dbraw/zinc/77/87/77/444778777.db2.gz TVLPAGUYMNBOMQ-LRDDRELGSA-N 1 0 347.419 1.789 20 5 EDBDRO CCC[NH+]1CCC(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000338670036 444800985 /nfs/dbraw/zinc/80/09/85/444800985.db2.gz TUDALLNJMVFRJM-UHFFFAOYSA-N 1 0 337.424 1.765 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000338637630 444785501 /nfs/dbraw/zinc/78/55/01/444785501.db2.gz OYQUWLKEEADYMN-CQSZACIVSA-N 1 0 346.387 1.633 20 5 EDBDRO O=C([C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1)N1CCCC1 ZINC000341610683 444918944 /nfs/dbraw/zinc/91/89/44/444918944.db2.gz UUEMSKIINKBUMI-CQSZACIVSA-N 1 0 348.403 1.091 20 5 EDBDRO COC[C@@H]1C[C@@H](OC)C[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000344366257 444922135 /nfs/dbraw/zinc/92/21/35/444922135.db2.gz LONDCXMPYIMVRO-GXTWGEPZSA-N 1 0 340.376 1.718 20 5 EDBDRO C[NH+]1CCN(CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342914122 444938797 /nfs/dbraw/zinc/93/87/97/444938797.db2.gz MDIDQRVTEYRVAZ-UHFFFAOYSA-N 1 0 331.376 1.053 20 5 EDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COC[C@@H]1n1ccnn1 ZINC000344462269 444990924 /nfs/dbraw/zinc/99/09/24/444990924.db2.gz UXSSAHYTPRPZSC-INWMFGNUSA-N 1 0 331.376 1.737 20 5 EDBDRO Cn1cc(C[NH2+]C[C@H](O)[C@H]2CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344478669 444999684 /nfs/dbraw/zinc/99/96/84/444999684.db2.gz AXALTQVJWALFKU-BBRMVZONSA-N 1 0 346.387 1.482 20 5 EDBDRO Cc1ccc([C@H](C)[NH2+]CC2(O)CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000330512944 445013016 /nfs/dbraw/zinc/01/30/16/445013016.db2.gz GEWQCDJJKRRWNE-LBPRGKRZSA-N 1 0 342.417 1.494 20 5 EDBDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337336992 445037557 /nfs/dbraw/zinc/03/75/57/445037557.db2.gz OESNOEDHCKYMBL-VXGBXAGGSA-N 1 0 334.376 1.509 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000330787529 445141406 /nfs/dbraw/zinc/14/14/06/445141406.db2.gz PDHIYRYADDCICL-GFCCVEGCSA-N 1 0 327.406 1.475 20 5 EDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342091010 445166468 /nfs/dbraw/zinc/16/64/68/445166468.db2.gz CIJNNMWVSRHHFK-KNPMLCFXSA-N 1 0 332.404 1.981 20 5 EDBDRO COc1ccc(C[NH2+][C@H]2CCO[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000343414087 445218225 /nfs/dbraw/zinc/21/82/25/445218225.db2.gz XGGUKGAUASDYQR-BLLLJJGKSA-N 1 0 332.360 1.957 20 5 EDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000343606091 445260889 /nfs/dbraw/zinc/26/08/89/445260889.db2.gz MKOZOACLVVONTF-HNNXBMFYSA-N 1 0 348.403 1.315 20 5 EDBDRO COCCC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000362429404 445377803 /nfs/dbraw/zinc/37/78/03/445377803.db2.gz NLSPAKYSNIIUEG-UHFFFAOYSA-N 1 0 327.406 1.841 20 5 EDBDRO Cc1c(CNC(=O)C(=O)NCC2([NH+](C)C)CCC2)cccc1[N+](=O)[O-] ZINC000354806776 445401876 /nfs/dbraw/zinc/40/18/76/445401876.db2.gz RCUWWKITVLDPFQ-UHFFFAOYSA-N 1 0 348.403 1.120 20 5 EDBDRO COC(=O)COc1ccc(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000357125805 445441228 /nfs/dbraw/zinc/44/12/28/445441228.db2.gz WNKSYJICJPEHJH-UONOGXRCSA-N 1 0 349.387 1.188 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000360135020 445587676 /nfs/dbraw/zinc/58/76/76/445587676.db2.gz ONABKXGCGNXCIM-ZDUSSCGKSA-N 1 0 337.376 1.904 20 5 EDBDRO C[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1[NH+](C)C ZINC000362894403 445599981 /nfs/dbraw/zinc/59/99/81/445599981.db2.gz QJZZQQJQXUHWEX-YMTOWFKASA-N 1 0 327.331 1.824 20 5 EDBDRO CNC(=O)C(C)(C)CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353618573 445679317 /nfs/dbraw/zinc/67/93/17/445679317.db2.gz GRGXCGJKRHVOIW-CQSZACIVSA-N 1 0 345.403 1.780 20 5 EDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000363105221 445679948 /nfs/dbraw/zinc/67/99/48/445679948.db2.gz ULSHIOZNUBBIKR-NEPJUHHUSA-N 1 0 345.359 1.064 20 5 EDBDRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000356243164 445695365 /nfs/dbraw/zinc/69/53/65/445695365.db2.gz KUNIWHQLACDOTJ-LBPRGKRZSA-N 1 0 338.408 1.098 20 5 EDBDRO Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@H](C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000349949175 445731201 /nfs/dbraw/zinc/73/12/01/445731201.db2.gz HYORPTWHDZSNTA-DOMZBBRYSA-N 1 0 348.403 1.361 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000353757160 445741283 /nfs/dbraw/zinc/74/12/83/445741283.db2.gz HOIIRQAOJPSAHU-CQSZACIVSA-N 1 0 340.376 1.643 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccsc1 ZINC000350008491 445748331 /nfs/dbraw/zinc/74/83/31/445748331.db2.gz OLDYGNCUTVNKDP-GFCCVEGCSA-N 1 0 335.389 1.666 20 5 EDBDRO COc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000392086374 325737616 /nfs/dbraw/zinc/73/76/16/325737616.db2.gz HPAHOYZALXPVGI-PWSUYJOCSA-N 1 0 337.376 1.954 20 5 EDBDRO O=C(NC1CC1)c1ccc(N2CCN3CCOC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000364882457 445965993 /nfs/dbraw/zinc/96/59/93/445965993.db2.gz MEEXCUQZRKQUPQ-CQSZACIVSA-N 1 0 346.387 1.008 20 5 EDBDRO Cc1cc(OCC(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000369175578 445971380 /nfs/dbraw/zinc/97/13/80/445971380.db2.gz WVEISVKAIDYZOD-BBRMVZONSA-N 1 0 333.388 1.835 20 5 EDBDRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000351099137 445989491 /nfs/dbraw/zinc/98/94/91/445989491.db2.gz CPUAFIOXHQEADI-UHFFFAOYSA-N 1 0 338.339 1.273 20 5 EDBDRO Cc1cc[nH+]c(NC[C@@H]2CCN(c3ncc([N+](=O)[O-])c(N)n3)C2)c1 ZINC000364729629 445949985 /nfs/dbraw/zinc/94/99/85/445949985.db2.gz JRAKQXNDMLZHLF-NSHDSACASA-N 1 0 329.364 1.609 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369272135 446038988 /nfs/dbraw/zinc/03/89/88/446038988.db2.gz ADGSFWDYDIKYDY-CQSZACIVSA-N 1 0 346.431 1.802 20 5 EDBDRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000369282346 446047104 /nfs/dbraw/zinc/04/71/04/446047104.db2.gz GPTJTRQJQLDUFE-KBPBESRZSA-N 1 0 334.380 1.113 20 5 EDBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000583083011 325995838 /nfs/dbraw/zinc/99/58/38/325995838.db2.gz XSURUXQIACXTEM-CYBMUJFWSA-N 1 0 334.376 1.546 20 5 EDBDRO CO[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C[NH3+])C1 ZINC000359219362 446049094 /nfs/dbraw/zinc/04/90/94/446049094.db2.gz PMNKRHMZUVLBOA-CHWSQXEVSA-N 1 0 341.795 1.755 20 5 EDBDRO CC(C)[C@@H](O)C1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000583565058 326097288 /nfs/dbraw/zinc/09/72/88/326097288.db2.gz ONSVKCNXFFEWLS-XJKSGUPXSA-N 1 0 338.404 1.721 20 5 EDBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000583801471 326141363 /nfs/dbraw/zinc/14/13/63/326141363.db2.gz JHWBKAYAOLKSKI-CVEARBPZSA-N 1 0 348.403 1.633 20 5 EDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000359238285 446070447 /nfs/dbraw/zinc/07/04/47/446070447.db2.gz QEQAPYVWUDPYRL-GFCCVEGCSA-N 1 0 333.392 1.543 20 5 EDBDRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000373172602 446072189 /nfs/dbraw/zinc/07/21/89/446072189.db2.gz KACUJUSAQGMLGK-DEZZGGKRSA-N 1 0 325.390 1.379 20 5 EDBDRO Cc1ncccc1O[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000365276475 446119752 /nfs/dbraw/zinc/11/97/52/446119752.db2.gz ROJUNENDRDTPFM-CABCVRRESA-N 1 0 347.375 1.009 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](S(=O)(=O)NC)C1 ZINC000366720785 446322369 /nfs/dbraw/zinc/32/23/69/446322369.db2.gz PIXMHLZIKHQNJH-ZDUSSCGKSA-N 1 0 343.405 1.117 20 5 EDBDRO O=C(N[C@H]1CCCC[C@H]1N1CCOCC1)c1ccc([N+](=O)[O-])cn1 ZINC000370548762 446327684 /nfs/dbraw/zinc/32/76/84/446327684.db2.gz WSSXNXIRUOGGLY-DZGCQCFKSA-N 1 0 334.376 1.363 20 5 EDBDRO CCOC(=O)c1cc(N2CC[NH2+]C[C@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000420256086 446434611 /nfs/dbraw/zinc/43/46/11/446434611.db2.gz CGHYLSFMRDBJNU-HNNXBMFYSA-N 1 0 325.340 1.909 20 5 EDBDRO COC(=O)CNC(=O)c1ccc(N[C@H](C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000420270815 446441607 /nfs/dbraw/zinc/44/16/07/446441607.db2.gz VCFPRBRBVKNJLS-SNVBAGLBSA-N 1 0 338.364 1.037 20 5 EDBDRO [NH3+]C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000417989483 446409207 /nfs/dbraw/zinc/40/92/07/446409207.db2.gz LKHNQRHSLAGPLI-LBPRGKRZSA-N 1 0 326.784 1.827 20 5 EDBDRO [NH3+][C@@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000417995201 446410316 /nfs/dbraw/zinc/41/03/16/446410316.db2.gz RRBYPVCOCRNKRC-LBPRGKRZSA-N 1 0 326.784 1.827 20 5 EDBDRO Cc1nc2n(c1C)CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)C2 ZINC000374852616 446418267 /nfs/dbraw/zinc/41/82/67/446418267.db2.gz UPQWYQMIQJESND-UHFFFAOYSA-N 1 0 333.323 1.785 20 5 EDBDRO C[NH2+]C[C@@H](C)CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418386792 446524787 /nfs/dbraw/zinc/52/47/87/446524787.db2.gz LXMJNUFMBSFJCW-CYBMUJFWSA-N 1 0 335.408 1.282 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](NC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC000411576064 446612954 /nfs/dbraw/zinc/61/29/54/446612954.db2.gz NZIMTPLBWTVTFC-LLVKDONJSA-N 1 0 339.367 1.886 20 5 EDBDRO O=C(NCC[C@H]1CCC[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418544251 446587577 /nfs/dbraw/zinc/58/75/77/446587577.db2.gz CSUBQJVRRPZRCY-CQSZACIVSA-N 1 0 347.419 1.569 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418552187 446590928 /nfs/dbraw/zinc/59/09/28/446590928.db2.gz BNYZDINIMBVVHI-XHDPSFHLSA-N 1 0 334.376 1.365 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000367830112 446594652 /nfs/dbraw/zinc/59/46/52/446594652.db2.gz AGAWXJDFMADISW-CYBMUJFWSA-N 1 0 325.390 1.156 20 5 EDBDRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420421735 446597916 /nfs/dbraw/zinc/59/79/16/446597916.db2.gz LJZNPJQSHCGQJF-DGCLKSJQSA-N 1 0 327.406 1.136 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1CCO ZINC000411564194 446602548 /nfs/dbraw/zinc/60/25/48/446602548.db2.gz FCEWYIRCRVMGAC-LBPRGKRZSA-N 1 0 337.376 1.779 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CCC[C@H](CC[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423619380 446609175 /nfs/dbraw/zinc/60/91/75/446609175.db2.gz VIBXWZRMTSJRIC-LLVKDONJSA-N 1 0 335.360 1.582 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000368086327 446631898 /nfs/dbraw/zinc/63/18/98/446631898.db2.gz WRSDGMJEMCWAAI-JSGCOSHPSA-N 1 0 346.387 1.300 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000420455155 446632534 /nfs/dbraw/zinc/63/25/34/446632534.db2.gz YZDLRCFESZHJID-CQSZACIVSA-N 1 0 341.433 1.589 20 5 EDBDRO CC(C)(NC(=O)NC[C@H]1C[NH2+]CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000418769744 446688818 /nfs/dbraw/zinc/68/88/18/446688818.db2.gz UJEMNXLHYYRGCP-CQSZACIVSA-N 1 0 336.392 1.508 20 5 EDBDRO CC[C@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000420592535 446695476 /nfs/dbraw/zinc/69/54/76/446695476.db2.gz AZLPRMWCVQKULL-LBPRGKRZSA-N 1 0 336.392 1.241 20 5 EDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418778346 446696053 /nfs/dbraw/zinc/69/60/53/446696053.db2.gz INMPDEXQXLXWQZ-YPMHNXCESA-N 1 0 336.392 1.262 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000371229469 446703239 /nfs/dbraw/zinc/70/32/39/446703239.db2.gz JEWNUXZDCKNGMX-AWEZNQCLSA-N 1 0 332.404 1.997 20 5 EDBDRO CC[NH+]1CCC(N2CCCN(c3ncc([N+](=O)[O-])cn3)CC2)CC1 ZINC000420628999 446710427 /nfs/dbraw/zinc/71/04/27/446710427.db2.gz QGSCMENGRSLNMZ-UHFFFAOYSA-N 1 0 334.424 1.381 20 5 EDBDRO CC[NH+]1CCC(N2CCCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000420634031 446712688 /nfs/dbraw/zinc/71/26/88/446712688.db2.gz ZAORYJKLNUCMRA-UHFFFAOYSA-N 1 0 333.436 1.986 20 5 EDBDRO [NH3+]CCCn1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000423844791 446728921 /nfs/dbraw/zinc/72/89/21/446728921.db2.gz MGJZWTFFZKLQPI-UHFFFAOYSA-N 1 0 338.755 1.119 20 5 EDBDRO Cc1ccc(C(=O)NC[C@@H]2CN3CCCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000371277318 446735798 /nfs/dbraw/zinc/73/57/98/446735798.db2.gz IQCRSUZENRLDFH-LSDHHAIUSA-N 1 0 333.388 1.886 20 5 EDBDRO CN(C)C(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000411939170 446750051 /nfs/dbraw/zinc/75/00/51/446750051.db2.gz IZKKIJWCANCFTK-GFCCVEGCSA-N 1 0 334.376 1.334 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000420761401 446800139 /nfs/dbraw/zinc/80/01/39/446800139.db2.gz HCQDIHHMXIVLTC-LBPRGKRZSA-N 1 0 327.406 1.618 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411932497 446743764 /nfs/dbraw/zinc/74/37/64/446743764.db2.gz FVCVBGJPRSYXJG-HOTGVXAUSA-N 1 0 329.356 1.564 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000424007221 446819874 /nfs/dbraw/zinc/81/98/74/446819874.db2.gz VANURBDUXHQWOK-FZMZJTMJSA-N 1 0 348.403 1.076 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000424114067 446858727 /nfs/dbraw/zinc/85/87/27/446858727.db2.gz PRFAAGAYNZKMNW-SMDDNHRTSA-N 1 0 332.360 1.086 20 5 EDBDRO CN1CC[C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)[C@H]2C1 ZINC000371492869 446889576 /nfs/dbraw/zinc/88/95/76/446889576.db2.gz JYEFLYJHTAOWQJ-ZJUUUORDSA-N 1 0 331.419 1.371 20 5 EDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000442614051 446914561 /nfs/dbraw/zinc/91/45/61/446914561.db2.gz GEXFOBLMMPQSEL-LBPRGKRZSA-N 1 0 349.387 1.496 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000412337159 446940564 /nfs/dbraw/zinc/94/05/64/446940564.db2.gz JDHJBZWLFFVLKA-YVSFHVDLSA-N 1 0 345.399 1.630 20 5 EDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425012832 446991739 /nfs/dbraw/zinc/99/17/39/446991739.db2.gz PXOFHINLAYHDFY-DZGCQCFKSA-N 1 0 341.371 1.664 20 5 EDBDRO Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000455084819 447044898 /nfs/dbraw/zinc/04/48/98/447044898.db2.gz PKOVPYCEDNYHNV-AWEZNQCLSA-N 1 0 336.392 1.872 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000419269880 447045947 /nfs/dbraw/zinc/04/59/47/447045947.db2.gz MTPNCYSLTKVBAD-YUTCNCBUSA-N 1 0 348.403 1.324 20 5 EDBDRO CC1CC[NH+](CC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444635721 447113818 /nfs/dbraw/zinc/11/38/18/447113818.db2.gz LNNHKZXVULABTQ-UHFFFAOYSA-N 1 0 331.376 1.819 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000444176913 447089512 /nfs/dbraw/zinc/08/95/12/447089512.db2.gz RHFLNTUUFKTCLY-UHFFFAOYSA-N 1 0 345.421 1.612 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](C1CCOCC1)C1(CO)CCC1 ZINC000425536217 447216826 /nfs/dbraw/zinc/21/68/26/447216826.db2.gz GXSYGYSZMKMGKD-CQSZACIVSA-N 1 0 338.408 1.376 20 5 EDBDRO CNc1nc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000456009952 447285022 /nfs/dbraw/zinc/28/50/22/447285022.db2.gz KDYKURYANOHVBZ-AAEUAGOBSA-N 1 0 333.392 1.588 20 5 EDBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000372733342 447257236 /nfs/dbraw/zinc/25/72/36/447257236.db2.gz WWEQZUVDAZVMQY-LLVKDONJSA-N 1 0 341.795 1.777 20 5 EDBDRO COc1ccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425665924 447259760 /nfs/dbraw/zinc/25/97/60/447259760.db2.gz YGINBPLRGOVBHV-DZGCQCFKSA-N 1 0 348.403 1.839 20 5 EDBDRO CC(C)NC(=O)c1ccc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000450792189 447577610 /nfs/dbraw/zinc/57/76/10/447577610.db2.gz NNSZSGOZFYUQRL-XJKSGUPXSA-N 1 0 332.404 1.873 20 5 EDBDRO O=[N+]([O-])c1ccc2c(ccnc2NC[C@H]2CCC[N@H+]2CCCO)c1 ZINC000450593402 447533699 /nfs/dbraw/zinc/53/36/99/447533699.db2.gz IIUYOJLGIAIQBP-OAHLLOKOSA-N 1 0 330.388 2.402 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@@H+]1CCCO ZINC000450598464 447534107 /nfs/dbraw/zinc/53/41/07/447534107.db2.gz QRUSSBJNOUNHJU-CYBMUJFWSA-N 1 0 336.392 1.213 20 5 EDBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000420001417 447539159 /nfs/dbraw/zinc/53/91/59/447539159.db2.gz RGQWDKMHAMNWNF-QGZVFWFLSA-N 1 0 337.420 1.691 20 5 EDBDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000427104077 447545631 /nfs/dbraw/zinc/54/56/31/447545631.db2.gz XPYMRQUVPMRQMC-KGLIPLIRSA-N 1 0 336.392 1.421 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000408236776 447641556 /nfs/dbraw/zinc/64/15/56/447641556.db2.gz NTRMJRZDRXCPRQ-STQMWFEESA-N 1 0 341.433 1.864 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CCN(C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000408338441 447652174 /nfs/dbraw/zinc/65/21/74/447652174.db2.gz ZNGMLZNXZBZIDQ-STQMWFEESA-N 1 0 341.433 1.925 20 5 EDBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420239317 447682689 /nfs/dbraw/zinc/68/26/89/447682689.db2.gz KJBOKTYXNJQEBX-LBPRGKRZSA-N 1 0 336.289 1.982 20 5 EDBDRO CO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000451486767 447734953 /nfs/dbraw/zinc/73/49/53/447734953.db2.gz DWWDWHRQENSGIK-UONOGXRCSA-N 1 0 342.417 1.772 20 5 EDBDRO CCn1cc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)c([N+](=O)[O-])n1 ZINC000451897670 447777179 /nfs/dbraw/zinc/77/71/79/447777179.db2.gz WLNVKTVXHXQKSF-UHFFFAOYSA-N 1 0 347.441 1.210 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451904831 447779064 /nfs/dbraw/zinc/77/90/64/447779064.db2.gz BTCTUCNDXJDYIG-YOEHRIQHSA-N 1 0 336.388 1.837 20 5 EDBDRO Cc1sc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000451927270 447786528 /nfs/dbraw/zinc/78/65/28/447786528.db2.gz KBEYYGDLMHUDGR-FGWVZKOKSA-N 1 0 345.446 1.868 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000531141044 448027163 /nfs/dbraw/zinc/02/71/63/448027163.db2.gz OTMPGDQNWWAIIV-NSHDSACASA-N 1 0 342.421 1.020 20 5 EDBDRO C[N@@H+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000556089083 448105387 /nfs/dbraw/zinc/10/53/87/448105387.db2.gz VHUFBNUSOOXRST-UHFFFAOYSA-N 1 0 332.404 1.510 20 5 EDBDRO CC[N@H+](CCNc1ccc2ncc([N+](=O)[O-])n2n1)CCC(F)(F)F ZINC000491864750 448138454 /nfs/dbraw/zinc/13/84/54/448138454.db2.gz FWOBKFJVJBRROQ-UHFFFAOYSA-N 1 0 346.313 2.324 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000531804757 448148385 /nfs/dbraw/zinc/14/83/85/448148385.db2.gz MPUFGJIEMNSFGG-WBMJQRKESA-N 1 0 348.403 1.756 20 5 EDBDRO CNc1nccc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000557553389 448186880 /nfs/dbraw/zinc/18/68/80/448186880.db2.gz DXXVWKVLZVTWEL-GFCCVEGCSA-N 1 0 335.408 1.883 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000591037725 448241078 /nfs/dbraw/zinc/24/10/78/448241078.db2.gz PFFAFVVVYMYORE-IUODEOHRSA-N 1 0 348.403 1.568 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000591037724 448241609 /nfs/dbraw/zinc/24/16/09/448241609.db2.gz PFFAFVVVYMYORE-DOMZBBRYSA-N 1 0 348.403 1.568 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)cccc1[N+](=O)[O-] ZINC000515174675 448270233 /nfs/dbraw/zinc/27/02/33/448270233.db2.gz NHTQYRCTTGZKSK-BJJXKVORSA-N 1 0 348.403 1.293 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000591303916 448314695 /nfs/dbraw/zinc/31/46/95/448314695.db2.gz GLIBUNBFSDUQJW-JSGCOSHPSA-N 1 0 348.403 1.682 20 5 EDBDRO CN1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1=O ZINC000515667103 448341199 /nfs/dbraw/zinc/34/11/99/448341199.db2.gz FMOQRMDTAOCVJZ-GFCCVEGCSA-N 1 0 334.376 1.476 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000572339118 448349262 /nfs/dbraw/zinc/34/92/62/448349262.db2.gz SMQUKPIZANYMPR-LLVKDONJSA-N 1 0 335.360 1.878 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591346276 448333093 /nfs/dbraw/zinc/33/30/93/448333093.db2.gz DUFHYTWKECFCIK-RISCZKNCSA-N 1 0 334.376 1.497 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591346277 448333117 /nfs/dbraw/zinc/33/31/17/448333117.db2.gz DUFHYTWKECFCIK-SMDDNHRTSA-N 1 0 334.376 1.497 20 5 EDBDRO CC[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC[C@@H]1[NH3+] ZINC000591346290 448333126 /nfs/dbraw/zinc/33/31/26/448333126.db2.gz PFEZWZRDBAIQOS-RISCZKNCSA-N 1 0 336.392 1.872 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000591560856 448391188 /nfs/dbraw/zinc/39/11/88/448391188.db2.gz UCHRLBFMQBEMBP-UHFFFAOYSA-N 1 0 345.808 1.765 20 5 EDBDRO Cc1ncsc1CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000572512128 448399384 /nfs/dbraw/zinc/39/93/84/448399384.db2.gz GXPYOAYIFBQCRI-CYBMUJFWSA-N 1 0 337.401 1.932 20 5 EDBDRO CN(CCC[NH3+])C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000591679410 448448258 /nfs/dbraw/zinc/44/82/58/448448258.db2.gz TWKGWTJCPYVKOR-SNVBAGLBSA-N 1 0 340.405 1.068 20 5 EDBDRO C[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@@H+](C2CC2)C1 ZINC000578114486 448463821 /nfs/dbraw/zinc/46/38/21/448463821.db2.gz HXOCJTRMYPHHBA-LLVKDONJSA-N 1 0 347.371 1.880 20 5 EDBDRO CN1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000591733993 448476200 /nfs/dbraw/zinc/47/62/00/448476200.db2.gz TWPDDBRWWJZKJQ-GFCCVEGCSA-N 1 0 327.406 1.052 20 5 EDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000591749482 448480410 /nfs/dbraw/zinc/48/04/10/448480410.db2.gz ZNLHRAYWGSPWGA-IOASZLSFSA-N 1 0 335.404 1.549 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2COc3c2cccc3Cl)c1 ZINC000591754067 448481271 /nfs/dbraw/zinc/48/12/71/448481271.db2.gz ZISFGZANSNSXLI-GWCFXTLKSA-N 1 0 338.751 1.529 20 5 EDBDRO Cc1nn(CCC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000584585756 448578832 /nfs/dbraw/zinc/57/88/32/448578832.db2.gz VRAJKPCSQJZCDV-VIFPVBQESA-N 1 0 337.302 1.194 20 5 EDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000567454269 448696542 /nfs/dbraw/zinc/69/65/42/448696542.db2.gz VLPWBBZUYUAUGR-IUODEOHRSA-N 1 0 336.392 1.790 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000592136377 448701363 /nfs/dbraw/zinc/70/13/63/448701363.db2.gz PSVMZMTUWHOCIN-QGZVFWFLSA-N 1 0 341.367 1.977 20 5 EDBDRO CC[NH2+]CCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000518934921 448722994 /nfs/dbraw/zinc/72/29/94/448722994.db2.gz DIXKVIAXGNJFBJ-UHFFFAOYSA-N 1 0 328.756 1.303 20 5 EDBDRO Cc1cc(C)cc(OCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000579111274 448717357 /nfs/dbraw/zinc/71/73/57/448717357.db2.gz ZOHSQQKLGWNXOA-HNNXBMFYSA-N 1 0 334.376 1.438 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592255163 448764911 /nfs/dbraw/zinc/76/49/11/448764911.db2.gz NJXUBASQFRUVIN-ZIAGYGMSSA-N 1 0 335.408 1.338 20 5 EDBDRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000545356590 448793003 /nfs/dbraw/zinc/79/30/03/448793003.db2.gz FWYRRZLMNWGLNT-GFCCVEGCSA-N 1 0 327.406 1.356 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000546626453 448834038 /nfs/dbraw/zinc/83/40/38/448834038.db2.gz BADNBFFNQGSAHG-LLVKDONJSA-N 1 0 348.403 1.608 20 5 EDBDRO O=[N+]([O-])c1cc2c(cc1CN1CCC[C@]3(CC[NH2+]C3)C1)OCCO2 ZINC000592435802 448836944 /nfs/dbraw/zinc/83/69/44/448836944.db2.gz ZRHZXYAJAXEPRM-QGZVFWFLSA-N 1 0 333.388 1.942 20 5 EDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000520503709 448903341 /nfs/dbraw/zinc/90/33/41/448903341.db2.gz ZUKKZRICCHWMTA-CYBMUJFWSA-N 1 0 343.387 1.852 20 5 EDBDRO CCc1nn(C)c(N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1[N+](=O)[O-] ZINC000574624124 448917966 /nfs/dbraw/zinc/91/79/66/448917966.db2.gz ILCQPYFMVBELKO-WFASDCNBSA-N 1 0 337.424 1.613 20 5 EDBDRO [NH3+]CC12CCC(CC1)CN2[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000574652227 448926281 /nfs/dbraw/zinc/92/62/81/448926281.db2.gz VNVFUBRNIOTVPQ-CRPOECCBSA-N 1 0 344.415 1.903 20 5 EDBDRO CC1(C)CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000588311679 448893964 /nfs/dbraw/zinc/89/39/64/448893964.db2.gz PLTDTWTTZSISAX-UHFFFAOYSA-N 1 0 336.392 1.193 20 5 EDBDRO COCCN(CC[NH+](C)C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589196655 448986328 /nfs/dbraw/zinc/98/63/28/448986328.db2.gz WJDCDQQQBHXTEA-UHFFFAOYSA-N 1 0 339.392 1.376 20 5 EDBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](Cn4ccnn4)C3)nc2c1 ZINC000595608328 449076199 /nfs/dbraw/zinc/07/61/99/449076199.db2.gz NTHIIYDIQDBFKK-LLVKDONJSA-N 1 0 328.332 1.850 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)C[NH+](C)C ZINC000589921692 449079832 /nfs/dbraw/zinc/07/98/32/449079832.db2.gz NWCNPDIMMDKFOG-JTQLQIEISA-N 1 0 331.394 1.079 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1C ZINC000589929544 449083269 /nfs/dbraw/zinc/08/32/69/449083269.db2.gz JYYZDNAPPFBWGB-GXTWGEPZSA-N 1 0 339.417 1.536 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000589930483 449084448 /nfs/dbraw/zinc/08/44/48/449084448.db2.gz YCIPFMGRPDYPTR-OCCSQVGLSA-N 1 0 339.417 1.482 20 5 EDBDRO O=C(CN1CCC[C@]2(CC[NH2+]C2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000575360303 449084597 /nfs/dbraw/zinc/08/45/97/449084597.db2.gz SOQMZPJGSMIKGN-GOSISDBHSA-N 1 0 344.415 1.559 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593655279 449132775 /nfs/dbraw/zinc/13/27/75/449132775.db2.gz BNPVEKUCVLUZTP-RVDMUPIBSA-N 1 0 346.431 1.704 20 5 EDBDRO C[N@H+](CCCNC(=O)c1ccnc(N)c1[N+](=O)[O-])Cc1ccccc1 ZINC000548735604 449092731 /nfs/dbraw/zinc/09/27/31/449092731.db2.gz XTZKMQJIPCJRJJ-UHFFFAOYSA-N 1 0 343.387 1.824 20 5 EDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000599926090 449111047 /nfs/dbraw/zinc/11/10/47/449111047.db2.gz YTZBSKMDIPJGIM-HNNXBMFYSA-N 1 0 336.392 1.613 20 5 EDBDRO C[C@@H]1CC[C@@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C[NH2+]1 ZINC000599933044 449114542 /nfs/dbraw/zinc/11/45/42/449114542.db2.gz FWAKNOFKFOZAIQ-VXGBXAGGSA-N 1 0 336.396 1.278 20 5 EDBDRO C[C@H](C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000599938071 449116820 /nfs/dbraw/zinc/11/68/20/449116820.db2.gz LPZKQLFRYTWTAS-MAZHCROVSA-N 1 0 333.388 1.366 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000590282232 449124564 /nfs/dbraw/zinc/12/45/64/449124564.db2.gz ULTIIYWEPMGWTD-SMDDNHRTSA-N 1 0 332.360 1.004 20 5 EDBDRO C[C@]12COC[C@@H]1C[N@@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000595759960 449152900 /nfs/dbraw/zinc/15/29/00/449152900.db2.gz RNAKLVGSPIGQGJ-NUTKFTJISA-N 1 0 331.372 1.668 20 5 EDBDRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000600030492 449154518 /nfs/dbraw/zinc/15/45/18/449154518.db2.gz DSUZSKGDDXSYGW-ZDUSSCGKSA-N 1 0 348.403 1.690 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1[C@H](C)O ZINC000595767519 449156152 /nfs/dbraw/zinc/15/61/52/449156152.db2.gz YFKHFBNQEXZTIY-SMDDNHRTSA-N 1 0 337.376 1.777 20 5 EDBDRO CCO[C@@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000593737076 449171778 /nfs/dbraw/zinc/17/17/78/449171778.db2.gz LGTXXIIKNIQWGQ-YWPYICTPSA-N 1 0 336.392 1.217 20 5 EDBDRO COC(=O)c1cc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000593188048 449163560 /nfs/dbraw/zinc/16/35/60/449163560.db2.gz UOSJPPGOBNRXCD-UTUOFQBUSA-N 1 0 349.387 1.935 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000590443323 449164337 /nfs/dbraw/zinc/16/43/37/449164337.db2.gz IFLQTXDFEMDOIC-DZGCQCFKSA-N 1 0 333.388 1.835 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@]1(O)CCOC1 ZINC000593671757 449142093 /nfs/dbraw/zinc/14/20/93/449142093.db2.gz STLJOYVJJYKRKG-WBMJQRKESA-N 1 0 337.376 1.443 20 5 EDBDRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000590402388 449148522 /nfs/dbraw/zinc/14/85/22/449148522.db2.gz SSYROQZMCXOKTP-NWDGAFQWSA-N 1 0 325.390 1.592 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000590589019 449205540 /nfs/dbraw/zinc/20/55/40/449205540.db2.gz LACINPXXVFORTN-DGCLKSJQSA-N 1 0 327.406 1.616 20 5 EDBDRO CCO[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C[NH3+] ZINC000593762728 449185821 /nfs/dbraw/zinc/18/58/21/449185821.db2.gz GPXPVADMMXHGHU-QMTHXVAHSA-N 1 0 338.364 1.431 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000590566406 449193407 /nfs/dbraw/zinc/19/34/07/449193407.db2.gz HCEZHPMKBKBJRC-IUODEOHRSA-N 1 0 348.403 1.184 20 5 EDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000590569714 449195652 /nfs/dbraw/zinc/19/56/52/449195652.db2.gz RANGJMJQQRYKJY-PWSUYJOCSA-N 1 0 327.406 1.527 20 5 EDBDRO O=[N+]([O-])c1cccc(N2CCN(C[C@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000595886745 449233572 /nfs/dbraw/zinc/23/35/72/449233572.db2.gz YNSTWNRHTOQWBM-MRXNPFEDSA-N 1 0 332.404 1.238 20 5 EDBDRO CN([C@@H](C[NH3+])C(F)(F)F)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000595908090 449246547 /nfs/dbraw/zinc/24/65/47/449246547.db2.gz MSFXRPCZROTTHL-RYUDHWBXSA-N 1 0 346.309 1.522 20 5 EDBDRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000600214381 449246612 /nfs/dbraw/zinc/24/66/12/449246612.db2.gz XIMZHCQDUVZOLU-AWEZNQCLSA-N 1 0 341.433 1.664 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC3CC2(C[NH3+])C3)cc1SC ZINC000595942546 449269806 /nfs/dbraw/zinc/26/98/06/449269806.db2.gz KCYDFMBAKYTISC-UHFFFAOYSA-N 1 0 337.401 1.889 20 5 EDBDRO Cc1c(C(=O)N(C)CC(C)(C)[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000595949688 449275599 /nfs/dbraw/zinc/27/55/99/449275599.db2.gz ZVDAUMKYUAVBHB-UHFFFAOYSA-N 1 0 332.364 1.293 20 5 EDBDRO CC[NH2+]CCNC(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 ZINC000593904243 449275871 /nfs/dbraw/zinc/27/58/71/449275871.db2.gz QACBDHQEXPMNOO-UHFFFAOYSA-N 1 0 331.376 1.487 20 5 EDBDRO CC(C)(C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000595961067 449283660 /nfs/dbraw/zinc/28/36/60/449283660.db2.gz IRAUBIIBOSWLRI-AWEZNQCLSA-N 1 0 349.435 1.765 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(CC[NH3+])CC1 ZINC000593916047 449283718 /nfs/dbraw/zinc/28/37/18/449283718.db2.gz CKOYLACOKFYEOC-GFCCVEGCSA-N 1 0 348.403 1.301 20 5 EDBDRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602100466 449345173 /nfs/dbraw/zinc/34/51/73/449345173.db2.gz AZFYDKOVLBSARH-JSGCOSHPSA-N 1 0 333.392 1.487 20 5 EDBDRO O=c1[nH]ccc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000596074417 449349992 /nfs/dbraw/zinc/34/99/92/449349992.db2.gz FVFQAFYKBONKJN-CQSZACIVSA-N 1 0 344.371 1.527 20 5 EDBDRO NC(=O)c1cc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000596075352 449351352 /nfs/dbraw/zinc/35/13/52/449351352.db2.gz MPRRZKLYCCQOAH-CQSZACIVSA-N 1 0 348.403 1.385 20 5 EDBDRO Cn1c(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000600410867 449361852 /nfs/dbraw/zinc/36/18/52/449361852.db2.gz OUXNLNDMELJXNV-UHFFFAOYSA-N 1 0 336.392 1.260 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCNC1=O ZINC000590971645 449363049 /nfs/dbraw/zinc/36/30/49/449363049.db2.gz CGURYXORYCXQGY-RYUDHWBXSA-N 1 0 334.376 1.428 20 5 EDBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593539164 449333684 /nfs/dbraw/zinc/33/36/84/449333684.db2.gz UNINLQJBVHSVGR-UHFFFAOYSA-N 1 0 342.421 1.390 20 5 EDBDRO CCCNC(=O)CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000611560295 449336699 /nfs/dbraw/zinc/33/66/99/449336699.db2.gz QYNJUBFKVXQZDO-HNNXBMFYSA-N 1 0 331.376 1.534 20 5 EDBDRO NC(=O)c1cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000596130439 449378904 /nfs/dbraw/zinc/37/89/04/449378904.db2.gz QNECBFJMPQBQCG-LBPRGKRZSA-N 1 0 348.403 1.607 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000598454990 449404320 /nfs/dbraw/zinc/40/43/20/449404320.db2.gz YLLYGUGKDBBGNI-AWEZNQCLSA-N 1 0 348.403 1.064 20 5 EDBDRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596195564 449407895 /nfs/dbraw/zinc/40/78/95/449407895.db2.gz FNZWYSQRZLFFGT-LBPRGKRZSA-N 1 0 335.408 1.132 20 5 EDBDRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596195540 449407995 /nfs/dbraw/zinc/40/79/95/449407995.db2.gz FNZWYSQRZLFFGT-GFCCVEGCSA-N 1 0 335.408 1.132 20 5 EDBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000594244316 449408159 /nfs/dbraw/zinc/40/81/59/449408159.db2.gz NUKYOUXOSBIHDE-UHFFFAOYSA-N 1 0 335.408 1.978 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000596266008 449446881 /nfs/dbraw/zinc/44/68/81/449446881.db2.gz QTEIYHRQQJCSQI-UHFFFAOYSA-N 1 0 340.811 1.974 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594325063 449450011 /nfs/dbraw/zinc/45/00/11/449450011.db2.gz AUIOCRJUQFMTIG-GJZGRUSLSA-N 1 0 346.387 1.666 20 5 EDBDRO O=[N+]([O-])c1c(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ncnc1N1CCOCC1 ZINC000598589065 449478335 /nfs/dbraw/zinc/47/83/35/449478335.db2.gz CQIUHFNBJBMJLI-STQMWFEESA-N 1 0 348.407 1.260 20 5 EDBDRO CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000600662879 449479793 /nfs/dbraw/zinc/47/97/93/449479793.db2.gz RFGMUNAEHXURKE-WCFLWFBJSA-N 1 0 337.380 1.032 20 5 EDBDRO CC(C)c1ccc(CNCc2nc(C[NH3+])cc(=O)[nH]2)cc1[N+](=O)[O-] ZINC000600773449 449542060 /nfs/dbraw/zinc/54/20/60/449542060.db2.gz ICWVSXLWSXNJBW-UHFFFAOYSA-N 1 0 331.376 1.962 20 5 EDBDRO CNC(=O)c1ccc(NCCN2C[C@H](C)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000596430178 449498105 /nfs/dbraw/zinc/49/81/05/449498105.db2.gz KLOFGBQDRCAGOO-NEPJUHHUSA-N 1 0 336.392 1.476 20 5 EDBDRO CCn1ccnc1[C@H](C)Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598634110 449509072 /nfs/dbraw/zinc/50/90/72/449509072.db2.gz PGTXMBHNRZBKCX-NSHDSACASA-N 1 0 347.379 1.611 20 5 EDBDRO Cc1c([C@@H](C)NCc2cn([C@H]3CC[NH2+]C3)nn2)cccc1[N+](=O)[O-] ZINC000600712711 449510340 /nfs/dbraw/zinc/51/03/40/449510340.db2.gz ZWMDUEYWBKBXBI-OCCSQVGLSA-N 1 0 330.392 1.880 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598725897 449564859 /nfs/dbraw/zinc/56/48/59/449564859.db2.gz QGPGZBVGQDJXEJ-QMTHXVAHSA-N 1 0 341.389 1.105 20 5 EDBDRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000594496863 449557345 /nfs/dbraw/zinc/55/73/45/449557345.db2.gz XXTPODUIRCGYTM-GJZGRUSLSA-N 1 0 333.388 1.809 20 5 EDBDRO COC(=O)COc1ccc(C[N@H+](C[C@@H](C)O)C2CC2)cc1[N+](=O)[O-] ZINC000594614395 449595672 /nfs/dbraw/zinc/59/56/72/449595672.db2.gz GLHFFJLVCSSLRJ-LLVKDONJSA-N 1 0 338.360 1.492 20 5 EDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000602526993 449651587 /nfs/dbraw/zinc/65/15/87/449651587.db2.gz HKAXEKIOIXJVAK-INIZCTEOSA-N 1 0 343.387 1.851 20 5 EDBDRO C[C@@H]1CN(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000602544028 449665491 /nfs/dbraw/zinc/66/54/91/449665491.db2.gz HFKSNOGZLNFGPR-CQSZACIVSA-N 1 0 349.435 1.269 20 5 EDBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594769332 449681858 /nfs/dbraw/zinc/68/18/58/449681858.db2.gz UXNTXDLNCFIOAW-UHFFFAOYSA-N 1 0 344.437 1.732 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000598894787 449634222 /nfs/dbraw/zinc/63/42/22/449634222.db2.gz ROVRCOJLWSPAJR-CQSZACIVSA-N 1 0 349.391 1.173 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000598914074 449644359 /nfs/dbraw/zinc/64/43/59/449644359.db2.gz WYRJWJUSTXECHV-GMXVVIOVSA-N 1 0 332.360 1.038 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c([N+](=O)[O-])c1 ZINC000599105772 449737914 /nfs/dbraw/zinc/73/79/14/449737914.db2.gz QCFOFESXATXKBT-VHSXEESVSA-N 1 0 329.378 1.022 20 5 EDBDRO Cn1ccnc1[C@@H](NCC[N@@H+]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599094814 449729113 /nfs/dbraw/zinc/72/91/13/449729113.db2.gz YKJVMDOYEPSGLT-HOTGVXAUSA-N 1 0 345.403 1.074 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+]C[C@H]2C(C)C)cc1C ZINC000599100808 449731413 /nfs/dbraw/zinc/73/14/13/449731413.db2.gz HWWNGVGYHHVSTR-AWEZNQCLSA-N 1 0 341.433 1.830 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599101528 449732847 /nfs/dbraw/zinc/73/28/47/449732847.db2.gz LIRAMUJCLBMUBS-AWEZNQCLSA-N 1 0 339.417 1.341 20 5 EDBDRO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000599101534 449733548 /nfs/dbraw/zinc/73/35/48/449733548.db2.gz LKCQMFVTMQZPAG-CQSZACIVSA-N 1 0 327.406 1.354 20 5 EDBDRO CN1CC[NH+](CC2CN(c3ccc4cnccc4c3[N+](=O)[O-])C2)CC1 ZINC000599105437 449736829 /nfs/dbraw/zinc/73/68/29/449736829.db2.gz CLTMRUQUPHQPNT-UHFFFAOYSA-N 1 0 341.415 1.827 20 5 EDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000602583094 449686705 /nfs/dbraw/zinc/68/67/05/449686705.db2.gz PPZHHEXWSOSSDK-AWEZNQCLSA-N 1 0 333.388 1.826 20 5 EDBDRO COC(=O)CCNC(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000599007490 449695108 /nfs/dbraw/zinc/69/51/08/449695108.db2.gz LXJFDYIXBGDLFR-UHFFFAOYSA-N 1 0 343.767 1.407 20 5 EDBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601110381 449695583 /nfs/dbraw/zinc/69/55/83/449695583.db2.gz CABGCIPJCFDTDG-LBPRGKRZSA-N 1 0 339.371 1.484 20 5 EDBDRO NC(=O)c1ccnc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000599128373 449751224 /nfs/dbraw/zinc/75/12/24/449751224.db2.gz YUIKZCRREZHKRZ-LBPRGKRZSA-N 1 0 333.392 1.908 20 5 EDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCO[C@@H]1CC1(F)F)OCCO2 ZINC000594970971 449823626 /nfs/dbraw/zinc/82/36/26/449823626.db2.gz QXHSUTUAPRMKRB-CYBMUJFWSA-N 1 0 330.287 1.880 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000602812334 449826775 /nfs/dbraw/zinc/82/67/75/449826775.db2.gz OVLAPLNFSQHDQW-KRWDZBQOSA-N 1 0 341.371 1.696 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC[N@H+]2CC[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601361143 449874537 /nfs/dbraw/zinc/87/45/37/449874537.db2.gz CNWLFJKCVHKVDV-SNVBAGLBSA-N 1 0 345.396 1.662 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC2([NH3+])CCCC2)c1C ZINC000595119807 449879851 /nfs/dbraw/zinc/87/98/51/449879851.db2.gz IEEQJFKVHMQXLO-UHFFFAOYSA-N 1 0 327.406 1.761 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])s1 ZINC000601343193 449852536 /nfs/dbraw/zinc/85/25/36/449852536.db2.gz LPYKPLNPYFSBNO-JTQLQIEISA-N 1 0 331.419 1.433 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602933067 449933450 /nfs/dbraw/zinc/93/34/50/449933450.db2.gz CBUABFYKHBRPJZ-GOPGUHFVSA-N 1 0 331.372 1.949 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601434794 449956382 /nfs/dbraw/zinc/95/63/82/449956382.db2.gz VRFDGZLQINRNQL-JTQLQIEISA-N 1 0 331.369 1.272 20 5 EDBDRO Cn1cc(C[NH2+]CCCn2cncn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000608835672 449945260 /nfs/dbraw/zinc/94/52/60/449945260.db2.gz IENNXGFLUSUMBO-UHFFFAOYSA-N 1 0 341.375 1.767 20 5 EDBDRO C[NH+](C)CCn1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cn1 ZINC000608879535 449948602 /nfs/dbraw/zinc/94/86/02/449948602.db2.gz WSZVJJSXMINUHM-UHFFFAOYSA-N 1 0 347.331 1.334 20 5 EDBDRO CS[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H]1[NH+]1CCCC1 ZINC000614978254 449901714 /nfs/dbraw/zinc/90/17/14/449901714.db2.gz RBCQWAZTQJOWTE-VXGBXAGGSA-N 1 0 348.432 1.654 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CCO)(CCO)CC1 ZINC000602965431 449967842 /nfs/dbraw/zinc/96/78/42/449967842.db2.gz FMWPLEWVURJDRX-UHFFFAOYSA-N 1 0 338.404 1.950 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000615187066 449995039 /nfs/dbraw/zinc/99/50/39/449995039.db2.gz DABYPKJKUPPAJK-LBPRGKRZSA-N 1 0 348.403 1.688 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@H]1CC12CC[NH2+]CC2 ZINC000597440358 450021857 /nfs/dbraw/zinc/02/18/57/450021857.db2.gz LSOAMUJNTXNAPG-AWEZNQCLSA-N 1 0 334.376 1.415 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)C1 ZINC000595353641 450067715 /nfs/dbraw/zinc/06/77/15/450067715.db2.gz JCECETSPVNILRC-ZDUSSCGKSA-N 1 0 341.433 1.920 20 5 EDBDRO CCOc1ccc(NC(=O)CN(C)CC2(C)COC2)c([N+](=O)[O-])c1 ZINC000599571455 450076146 /nfs/dbraw/zinc/07/61/46/450076146.db2.gz HSEINJLQXIFJMY-UHFFFAOYSA-N 1 0 337.376 1.900 20 5 EDBDRO CNc1c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC000613225118 450089252 /nfs/dbraw/zinc/08/92/52/450089252.db2.gz WOCNFTYKRSDNGA-UHFFFAOYSA-N 1 0 341.371 1.994 20 5 EDBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000597586035 450128681 /nfs/dbraw/zinc/12/86/81/450128681.db2.gz KGUHFNDSNAOCPQ-MRXNPFEDSA-N 1 0 339.367 1.192 20 5 EDBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601584703 450092496 /nfs/dbraw/zinc/09/24/96/450092496.db2.gz SEJFQAZFDZMOOW-UHFFFAOYSA-N 1 0 340.399 1.689 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[NH2+][C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000595411384 450123163 /nfs/dbraw/zinc/12/31/63/450123163.db2.gz IDWOYJCTRNHTQK-ZDUSSCGKSA-N 1 0 341.433 1.830 20 5 EDBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000610264722 450175078 /nfs/dbraw/zinc/17/50/78/450175078.db2.gz MJLGODPNAMYBEY-VXGBXAGGSA-N 1 0 342.421 1.483 20 5 EDBDRO CNc1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000597697750 450205380 /nfs/dbraw/zinc/20/53/80/450205380.db2.gz ZWFVNOGGFDYVSM-GOEBONIOSA-N 1 0 348.403 1.572 20 5 EDBDRO CN(CC(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000597714263 450216137 /nfs/dbraw/zinc/21/61/37/450216137.db2.gz HJXQHOPTHMQBGV-SFHVURJKSA-N 1 0 346.431 1.975 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCn2cncc2C1 ZINC000595492078 450182514 /nfs/dbraw/zinc/18/25/14/450182514.db2.gz UFNDCAHQPJQXSZ-UHFFFAOYSA-N 1 0 329.360 1.944 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c1 ZINC000603314172 450238259 /nfs/dbraw/zinc/23/82/59/450238259.db2.gz OPRNNRQJPAEBJN-CHWSQXEVSA-N 1 0 341.433 1.973 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCC2CS(=O)(=O)C2)n1 ZINC000618577605 450250999 /nfs/dbraw/zinc/25/09/99/450250999.db2.gz NULIDPDVVXGGJB-QWHCGFSZSA-N 1 0 342.421 1.299 20 5 EDBDRO COC(=O)COc1ccc(CNCc2cc(C)ncn2)cc1[N+](=O)[O-] ZINC000616092878 450319399 /nfs/dbraw/zinc/31/93/99/450319399.db2.gz HOPZADMIXXGBRE-UHFFFAOYSA-N 1 0 346.343 1.535 20 5 EDBDRO C[NH+]1CCN(c2ccc(CNc3cccnc3[N+](=O)[O-])cn2)CC1 ZINC000603845172 450358785 /nfs/dbraw/zinc/35/87/85/450358785.db2.gz JMHLWOFMKNPORX-UHFFFAOYSA-N 1 0 328.376 1.749 20 5 EDBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619483307 450486096 /nfs/dbraw/zinc/48/60/96/450486096.db2.gz LVYXBLIQDWASDW-UHFFFAOYSA-N 1 0 345.421 1.614 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000619491518 450489323 /nfs/dbraw/zinc/48/93/23/450489323.db2.gz SPILGGFCJVMCQN-LLVKDONJSA-N 1 0 343.405 1.318 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000610399658 491191942 /nfs/dbraw/zinc/19/19/42/491191942.db2.gz XCHHVHWBFSMBOR-STQMWFEESA-N 1 0 348.403 1.171 20 5 EDBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000591686219 491015417 /nfs/dbraw/zinc/01/54/17/491015417.db2.gz URARBSNZRRTRKZ-HNNXBMFYSA-N 1 0 341.371 1.652 20 5 EDBDRO CC(C)[NH+](CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])C(C)C ZINC000183712841 528907367 /nfs/dbraw/zinc/90/73/67/528907367.db2.gz XPPNIHPLYYEKQD-UHFFFAOYSA-N 1 0 344.437 1.773 20 5 EDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000236598977 535307970 /nfs/dbraw/zinc/30/79/70/535307970.db2.gz DJACKFXKUQPYPI-OAHLLOKOSA-N 1 0 332.364 1.279 20 5 EDBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000236683532 535331315 /nfs/dbraw/zinc/33/13/15/535331315.db2.gz XMUVVNBRLWHICO-OAHLLOKOSA-N 1 0 327.356 1.992 20 5 EDBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000178931233 535342821 /nfs/dbraw/zinc/34/28/21/535342821.db2.gz JSORDPADYJCIPI-LLVKDONJSA-N 1 0 343.405 1.366 20 5 EDBDRO CCNC(=O)[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000339319411 535408456 /nfs/dbraw/zinc/40/84/56/535408456.db2.gz GAPXSHYDHWXHPA-IUODEOHRSA-N 1 0 339.392 1.085 20 5 EDBDRO CC[N@@H+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000352674351 535653687 /nfs/dbraw/zinc/65/36/87/535653687.db2.gz PXSIKVYULBCANS-CYBMUJFWSA-N 1 0 332.404 1.510 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[N@H+](C)C1CC1 ZINC000345772552 535809330 /nfs/dbraw/zinc/80/93/30/535809330.db2.gz HFVGFOQSAHXTKK-GFCCVEGCSA-N 1 0 338.412 1.038 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000264998869 535966349 /nfs/dbraw/zinc/96/63/49/535966349.db2.gz UXGWZTNYPDQJAF-LLVKDONJSA-N 1 0 327.406 1.386 20 5 EDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272261056 535970733 /nfs/dbraw/zinc/97/07/33/535970733.db2.gz BBSYKNPHNJIGRC-CYBMUJFWSA-N 1 0 331.319 1.115 20 5 EDBDRO COc1ccc(F)cc1[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000271656066 536633700 /nfs/dbraw/zinc/63/37/00/536633700.db2.gz JYFZVTDUJDJKGC-MFKMUULPSA-N 1 0 338.339 1.651 20 5 EDBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC000261911224 536897723 /nfs/dbraw/zinc/89/77/23/536897723.db2.gz JAHZHJCTKQKKGX-RBSFLKMASA-N 1 0 335.404 1.850 20 5 EDBDRO C[C@H]1C[C@H](C)[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000740881573 579388014 /nfs/dbraw/zinc/38/80/14/579388014.db2.gz BVPWEYLRUVZAKS-GJZGRUSLSA-N 1 0 346.431 1.974 20 5 EDBDRO C[NH+]1CCC2(CCN2C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000742183027 579438437 /nfs/dbraw/zinc/43/84/37/579438437.db2.gz ALGVHNOCRYTMBN-UHFFFAOYSA-N 1 0 329.360 1.781 20 5 EDBDRO CCS(=O)(=O)CC[NH2+]CCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000743257247 579474057 /nfs/dbraw/zinc/47/40/57/579474057.db2.gz WYMKSKCAIVJQBJ-UHFFFAOYSA-N 1 0 346.405 1.179 20 5 EDBDRO C/C(=C\C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000752268582 579843894 /nfs/dbraw/zinc/84/38/94/579843894.db2.gz DWLMXOVHZLLHOQ-QSOAKEGCSA-N 1 0 332.404 1.360 20 5 EDBDRO Cc1cc(F)cc(C(=O)NCC2(O)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000758503737 579984369 /nfs/dbraw/zinc/98/43/69/579984369.db2.gz HIPCYJOSXYETQV-UHFFFAOYSA-N 1 0 325.340 1.229 20 5 EDBDRO CC(C)C(=O)NC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776279855 580413968 /nfs/dbraw/zinc/41/39/68/580413968.db2.gz ZFQXMOCEFIHSFQ-INIZCTEOSA-N 1 0 335.404 1.865 20 5 EDBDRO O=C(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 ZINC000776312106 580414694 /nfs/dbraw/zinc/41/46/94/580414694.db2.gz LSNRQCMSUXWDEB-UHFFFAOYSA-N 1 0 348.403 1.012 20 5 EDBDRO C[N@@H+]1CCC[C@H](N2CCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000776591110 580422950 /nfs/dbraw/zinc/42/29/50/580422950.db2.gz ATNROOZTTGRTNE-ZWKOTPCHSA-N 1 0 348.447 1.340 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000778290129 580461006 /nfs/dbraw/zinc/46/10/06/580461006.db2.gz RVMLZMVZTHWLCT-WPRPVWTQSA-N 1 0 335.389 1.812 20 5 EDBDRO C[NH+]1CCC(O)(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000778299195 580461279 /nfs/dbraw/zinc/46/12/79/580461279.db2.gz VWMARUOZIFVEQG-UHFFFAOYSA-N 1 0 343.330 1.260 20 5 EDBDRO CC(C)N1CCO[C@H](C(=[NH2+])NOCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000779649665 580492824 /nfs/dbraw/zinc/49/28/24/580492824.db2.gz KDMZOCQOMGKBMJ-AWEZNQCLSA-N 1 0 340.355 1.842 20 5 EDBDRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000780866559 580535845 /nfs/dbraw/zinc/53/58/45/580535845.db2.gz RMDUZVBOCLXJCP-CYBMUJFWSA-N 1 0 341.433 1.541 20 5 EDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781611072 580553279 /nfs/dbraw/zinc/55/32/79/580553279.db2.gz WYCCFCZMMOUTRK-ZDUSSCGKSA-N 1 0 336.348 1.646 20 5 EDBDRO C[C@@H](NC(=O)N1CCN(C)CC[N@H+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000894017112 591167569 /nfs/dbraw/zinc/16/75/69/591167569.db2.gz XGDBUZGUNXXFQY-CQSZACIVSA-N 1 0 349.435 1.545 20 5 EDBDRO C[NH+]1CCC2(CC1)CN(c1ccc3nonc3c1[N+](=O)[O-])CCO2 ZINC000894358910 591289161 /nfs/dbraw/zinc/28/91/61/591289161.db2.gz JIXKTYMDGSJGEC-UHFFFAOYSA-N 1 0 333.348 1.432 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)cc1F ZINC000866965562 591405358 /nfs/dbraw/zinc/40/53/58/591405358.db2.gz KEJWKTFHVQKNCZ-NSHDSACASA-N 1 0 345.396 1.757 20 5 EDBDRO CO[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCS(=O)(=O)C1 ZINC000896684933 591574150 /nfs/dbraw/zinc/57/41/50/591574150.db2.gz DCPQZULOUDASCL-ZDUSSCGKSA-N 1 0 348.808 1.542 20 5 EDBDRO O=[N+]([O-])c1cc(CO)c(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1F ZINC000897219252 591773454 /nfs/dbraw/zinc/77/34/54/591773454.db2.gz JXOGDRFJRJVHJA-KGLIPLIRSA-N 1 0 339.367 1.262 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000898118043 591787397 /nfs/dbraw/zinc/78/73/97/591787397.db2.gz BUNNSCHTSNXUDE-UHFFFAOYSA-N 1 0 347.415 1.870 20 5 EDBDRO CCC1([NH+]2CCC2)CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000899562745 591847403 /nfs/dbraw/zinc/84/74/03/591847403.db2.gz DGDUVPOCLGFBMN-UHFFFAOYSA-N 1 0 335.408 1.577 20 5 EDBDRO CC1(C)C[NH2+]C[C@H]1Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000900421790 592014585 /nfs/dbraw/zinc/01/45/85/592014585.db2.gz SHSRMAKZSYCDHA-OAHLLOKOSA-N 1 0 348.403 1.477 20 5 EDBDRO COCC[C@H]1C[NH2+]CCN1c1c2ccc(OC)cc2ncc1[N+](=O)[O-] ZINC000900437492 592018161 /nfs/dbraw/zinc/01/81/61/592018161.db2.gz YTLNPHFBBDBYTR-LBPRGKRZSA-N 1 0 346.387 1.966 20 5 EDBDRO CC[NH+]1CCC(NC(=O)COc2c(F)cc(F)cc2[N+](=O)[O-])CC1 ZINC000902697398 592044360 /nfs/dbraw/zinc/04/43/60/592044360.db2.gz XMNDTSQKMJZNHN-UHFFFAOYSA-N 1 0 343.330 1.852 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)c1 ZINC000903203894 592134790 /nfs/dbraw/zinc/13/47/90/592134790.db2.gz GPZPTXYHCSUHJX-UHFFFAOYSA-N 1 0 325.390 1.454 20 5 EDBDRO Cn1cnc([C@@H]2CN(C/C=C\c3ccccc3[N+](=O)[O-])C[C@H]2[NH3+])c1 ZINC000904494885 592266749 /nfs/dbraw/zinc/26/67/49/592266749.db2.gz LDOGWKOWPFTNBQ-FAKDPMAQSA-N 1 0 327.388 1.768 20 5 EDBDRO CN(C(=O)CN1CCC[C@H]2CC[C@@]21C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000903800726 592327194 /nfs/dbraw/zinc/32/71/94/592327194.db2.gz YAMLHHXAFFPXMM-SUMWQHHRSA-N 1 0 332.404 1.761 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)n1 ZINC000908571576 592543857 /nfs/dbraw/zinc/54/38/57/592543857.db2.gz YHPDXBGTPWJDJV-UHFFFAOYSA-N 1 0 335.408 1.902 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC000908573491 592544709 /nfs/dbraw/zinc/54/47/09/592544709.db2.gz MOJYRWJMRBVTGD-UHFFFAOYSA-N 1 0 335.408 1.577 20 5 EDBDRO C[C@@H]1C[NH2+]C[C@H]1Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000905684983 592612572 /nfs/dbraw/zinc/61/25/72/592612572.db2.gz WDHHPTYWBLVYOO-BXUZGUMPSA-N 1 0 334.376 1.087 20 5 EDBDRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906548031 592848491 /nfs/dbraw/zinc/84/84/91/592848491.db2.gz MEMYOJCVXWGGME-LLVKDONJSA-N 1 0 335.360 1.532 20 5 EDBDRO CC[N@@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736568991 593018297 /nfs/dbraw/zinc/01/82/97/593018297.db2.gz GYKFCBRIYLLPJE-JTQLQIEISA-N 1 0 332.368 1.456 20 5 EDBDRO COC[C@@](C)(CCO)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839502353 593311704 /nfs/dbraw/zinc/31/17/04/593311704.db2.gz HPVRKSTTXPPULU-CQSZACIVSA-N 1 0 345.783 1.564 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840006736 593342751 /nfs/dbraw/zinc/34/27/51/593342751.db2.gz ZSNUIRZKOBKZJW-DYVFJYSZSA-N 1 0 348.403 1.373 20 5 EDBDRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839719295 593373760 /nfs/dbraw/zinc/37/37/60/593373760.db2.gz OWHHUQXNVOBTOM-IAGOWNOFSA-N 1 0 347.415 1.485 20 5 EDBDRO CC[NH+](CC)CCS(=O)(=O)Oc1ccc(OC)cc1[N+](=O)[O-] ZINC000810032685 593376752 /nfs/dbraw/zinc/37/67/52/593376752.db2.gz DWNGRBORGCYNHN-UHFFFAOYSA-N 1 0 332.378 1.654 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCN(c3ccccn3)C2)c1 ZINC000819189486 593743620 /nfs/dbraw/zinc/74/36/20/593743620.db2.gz HLANXCQRLJVSEH-GOEBONIOSA-N 1 0 328.372 1.892 20 5 EDBDRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000819361746 593751878 /nfs/dbraw/zinc/75/18/78/593751878.db2.gz QXWFQZUBPQFABH-BPUTZDHNSA-N 1 0 346.387 1.872 20 5 EDBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000820091788 593790081 /nfs/dbraw/zinc/79/00/81/593790081.db2.gz AHXDFKINHCSNSC-LLVKDONJSA-N 1 0 346.395 1.560 20 5 EDBDRO CN1CC[NH+](CC2CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000820459256 593820217 /nfs/dbraw/zinc/82/02/17/593820217.db2.gz NLVWBDLQQRXTTC-QPJJXVBHSA-N 1 0 344.415 1.314 20 5 EDBDRO Nc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000823921535 593888502 /nfs/dbraw/zinc/88/85/02/593888502.db2.gz XGLDPZBIIFKKKC-ZDUSSCGKSA-N 1 0 349.391 1.552 20 5 EDBDRO O=C(C[NH+]1C2CCC1CC2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000822736954 594093064 /nfs/dbraw/zinc/09/30/64/594093064.db2.gz ZOVPTVBHDNFWOA-UHFFFAOYSA-N 1 0 344.415 1.870 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000823150114 594160903 /nfs/dbraw/zinc/16/09/03/594160903.db2.gz UHYFOSMKZYWMOV-UHFFFAOYSA-N 1 0 346.431 1.531 20 5 EDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC1CC[NH+](CC2CC2)CC1 ZINC000823620196 594221994 /nfs/dbraw/zinc/22/19/94/594221994.db2.gz IBEMLMWJPHUXOI-UHFFFAOYSA-N 1 0 344.379 1.456 20 5 EDBDRO C[NH+]1CCC2(CC1)CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000830647375 594446888 /nfs/dbraw/zinc/44/68/88/594446888.db2.gz IEOQIAMJHYLLFI-MRXNPFEDSA-N 1 0 335.404 1.425 20 5 EDBDRO COc1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])cc1OC ZINC000829010407 594547953 /nfs/dbraw/zinc/54/79/53/594547953.db2.gz ZUUOGJDHXOXOTR-TXEJJXNPSA-N 1 0 337.376 1.887 20 5 EDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)C[C@@H]1CO ZINC000826706514 594560814 /nfs/dbraw/zinc/56/08/14/594560814.db2.gz APWKRNKYPJOBBX-LLVKDONJSA-N 1 0 325.390 1.065 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1c2ccccc2CN1C ZINC000826724425 594564479 /nfs/dbraw/zinc/56/44/79/594564479.db2.gz JRVBYCOACXHVAH-OAHLLOKOSA-N 1 0 343.387 1.793 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)CC[C@H]21 ZINC000827328291 594661463 /nfs/dbraw/zinc/66/14/63/594661463.db2.gz DPIKTAJALZKQFG-BXUZGUMPSA-N 1 0 347.371 1.532 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CC[C@@H]21 ZINC000827358121 594664486 /nfs/dbraw/zinc/66/44/86/594664486.db2.gz WIAHUQRDCYYLSP-YPMHNXCESA-N 1 0 347.371 1.532 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000831723190 594696236 /nfs/dbraw/zinc/69/62/36/594696236.db2.gz LFZVQJLNKVWPGM-YGRLFVJLSA-N 1 0 338.795 1.823 20 5 EDBDRO CCO[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C[NH+](C)C ZINC000831731964 594697310 /nfs/dbraw/zinc/69/73/10/594697310.db2.gz YGPNSJXYOFIQAO-GFCCVEGCSA-N 1 0 346.387 1.840 20 5 EDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841979104 594994446 /nfs/dbraw/zinc/99/44/46/594994446.db2.gz QANMGHHHZGQURM-CQSZACIVSA-N 1 0 347.419 1.569 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC1([NH+](C)C)CC1 ZINC000842225943 595045112 /nfs/dbraw/zinc/04/51/12/595045112.db2.gz ROONOQQSMRFEFJ-UHFFFAOYSA-N 1 0 338.339 1.191 20 5 EDBDRO C[NH2+]CCCc1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000843237525 595046559 /nfs/dbraw/zinc/04/65/59/595046559.db2.gz QEDYFOATQDNOCO-UHFFFAOYSA-N 1 0 329.320 1.378 20 5 EDBDRO C[C@H]1[NH2+]CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C ZINC000843377924 595093966 /nfs/dbraw/zinc/09/39/66/595093966.db2.gz XIDKDEZGDPOTOM-NXEZZACHSA-N 1 0 326.784 1.869 20 5 EDBDRO CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000843386144 595096780 /nfs/dbraw/zinc/09/67/80/595096780.db2.gz FGEWWOPUYVHUGV-ZDUSSCGKSA-N 1 0 326.784 1.856 20 5 EDBDRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000842482534 595118853 /nfs/dbraw/zinc/11/88/53/595118853.db2.gz AHJFHZLMVBYWKT-AWEZNQCLSA-N 1 0 341.433 1.445 20 5 EDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000843779040 595184025 /nfs/dbraw/zinc/18/40/25/595184025.db2.gz NOWYSJBOPJMDGT-VXGBXAGGSA-N 1 0 337.351 1.635 20 5 EDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000834703536 595194669 /nfs/dbraw/zinc/19/46/69/595194669.db2.gz MUNCQYIWZFLRFK-LBPRGKRZSA-N 1 0 331.376 1.532 20 5 EDBDRO Cc1cc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000844096509 595271163 /nfs/dbraw/zinc/27/11/63/595271163.db2.gz JJQKLSQPAHRWAE-UHFFFAOYSA-N 1 0 348.403 1.422 20 5 EDBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)CCO2 ZINC000844097854 595271869 /nfs/dbraw/zinc/27/18/69/595271869.db2.gz ZSLDLJDXATWBMJ-UHFFFAOYSA-N 1 0 334.376 1.114 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CCO1 ZINC000843057076 595276454 /nfs/dbraw/zinc/27/64/54/595276454.db2.gz FZVXXGMBNUNKPK-TVQRCGJNSA-N 1 0 344.209 1.905 20 5 EDBDRO [NH3+]C[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CCO1 ZINC000843069226 595279726 /nfs/dbraw/zinc/27/97/26/595279726.db2.gz QAJACTPVALEPRD-SECBINFHSA-N 1 0 330.182 1.517 20 5 EDBDRO CN(Cc1cnn(C)c1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848474816 595388537 /nfs/dbraw/zinc/38/85/37/595388537.db2.gz IYAPCEFBXBKTLO-INIZCTEOSA-N 1 0 343.387 1.734 20 5 EDBDRO C[N@@H+]1CC[C@H](CCOC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000847825202 595488776 /nfs/dbraw/zinc/48/87/76/595488776.db2.gz BWKNCGLMYXGCIM-LLVKDONJSA-N 1 0 336.344 1.865 20 5 EDBDRO Cc1c(C(=O)NCC23CC(C2)C[NH2+]3)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000852865697 595585784 /nfs/dbraw/zinc/58/57/84/595585784.db2.gz MOVSOPWBFYIEDP-UHFFFAOYSA-N 1 0 334.332 1.602 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766766 595600733 /nfs/dbraw/zinc/60/07/33/595600733.db2.gz SCWGBIXQXJQGRM-BXKDBHETSA-N 1 0 329.303 1.681 20 5 EDBDRO O=C(N1CC[C@@]2(CC[NH2+]C2)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857768719 595602332 /nfs/dbraw/zinc/60/23/32/595602332.db2.gz WUJFQMHJTGFSND-CQSZACIVSA-N 1 0 341.314 1.778 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1SCCS1 ZINC000853118998 595671022 /nfs/dbraw/zinc/67/10/22/595671022.db2.gz BIELDHILLYHHDX-SNVBAGLBSA-N 1 0 330.431 1.730 20 5 EDBDRO O=C1N(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]2CCCCN12 ZINC000853118832 595671112 /nfs/dbraw/zinc/67/11/12/595671112.db2.gz RWVXRKIWBYVLJD-HOTGVXAUSA-N 1 0 348.403 1.508 20 5 EDBDRO CCN(C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@@H]1CC[N@H+](C)C1 ZINC000855359705 595684546 /nfs/dbraw/zinc/68/45/46/595684546.db2.gz AMKICFRYHSJIGE-MLGOLLRUSA-N 1 0 346.387 1.640 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000858624360 595848627 /nfs/dbraw/zinc/84/86/27/595848627.db2.gz FHMLUUHLJLQNAR-WDEREUQCSA-N 1 0 329.378 1.022 20 5 EDBDRO COc1cc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)ccc1[N+](=O)[O-] ZINC000858631753 595851082 /nfs/dbraw/zinc/85/10/82/595851082.db2.gz HWIIGPLNEGJFDB-VHSXEESVSA-N 1 0 329.378 1.022 20 5 EDBDRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118123074 595930462 /nfs/dbraw/zinc/93/04/62/595930462.db2.gz CTEJOFXKHOFTRA-UHFFFAOYSA-N 1 0 342.783 1.643 20 5 EDBDRO COc1cc(CCNC(=O)N(C)C[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000861550006 596026483 /nfs/dbraw/zinc/02/64/83/596026483.db2.gz VZVQUVLHAMHGND-JTQLQIEISA-N 1 0 340.380 1.143 20 5 EDBDRO CC1(N2CCOCC2)CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000859775937 596194458 /nfs/dbraw/zinc/19/44/58/596194458.db2.gz MERDBHWDDDYUOV-QGZVFWFLSA-N 1 0 349.431 1.815 20 5 EDBDRO O=C1OC[C@@]2(C[NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)COCCN12 ZINC000866522570 596240291 /nfs/dbraw/zinc/24/02/91/596240291.db2.gz WPJLPBMVBPULOT-DOTOQJQBSA-N 1 0 347.371 1.783 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000866827270 596368299 /nfs/dbraw/zinc/36/82/99/596368299.db2.gz KLFDPEKCSFLXTA-OCCSQVGLSA-N 1 0 325.390 1.418 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)cc1F ZINC000867503646 596401800 /nfs/dbraw/zinc/40/18/00/596401800.db2.gz HJVDDRRKKZLAHH-SNVBAGLBSA-N 1 0 333.385 1.661 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865202536 596514572 /nfs/dbraw/zinc/51/45/72/596514572.db2.gz MAJXXDZEQJPSFX-LBPRGKRZSA-N 1 0 338.383 1.029 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1Cl ZINC000863318028 596549230 /nfs/dbraw/zinc/54/92/30/596549230.db2.gz SFRJDQMGFKWYIM-SNVBAGLBSA-N 1 0 327.768 1.353 20 5 EDBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000867847544 596584146 /nfs/dbraw/zinc/58/41/46/596584146.db2.gz CCGZZSBCDARKBX-MRXNPFEDSA-N 1 0 339.367 1.192 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000123024049 596815259 /nfs/dbraw/zinc/81/52/59/596815259.db2.gz ZRYZBFNJEJOYGD-ONGXEEELSA-N 1 0 331.369 1.624 20 5 EDBDRO CN(CC[NH+](C)C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000866310778 596853590 /nfs/dbraw/zinc/85/35/90/596853590.db2.gz PQHBVLMIUHRJLK-UHFFFAOYSA-N 1 0 344.209 1.920 20 5 EDBDRO CC[C@H]1COCCN1CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000874702811 597146357 /nfs/dbraw/zinc/14/63/57/597146357.db2.gz KGSKAGHYFWGYCF-NSHDSACASA-N 1 0 325.340 1.575 20 5 EDBDRO Cc1c(C[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000873095619 597191692 /nfs/dbraw/zinc/19/16/92/597191692.db2.gz ZMWAVCDRYIVVDT-LBPRGKRZSA-N 1 0 327.406 1.274 20 5 EDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000876728821 597310123 /nfs/dbraw/zinc/31/01/23/597310123.db2.gz WULAQLBMKSKGDR-SUMWQHHRSA-N 1 0 334.420 1.569 20 5 EDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C2 ZINC000877372709 597503683 /nfs/dbraw/zinc/50/36/83/597503683.db2.gz GLZKIUAPVBJFTC-ZUZCIYMTSA-N 1 0 341.770 1.998 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@H]21 ZINC000877744424 597552432 /nfs/dbraw/zinc/55/24/32/597552432.db2.gz STTFCSPIXVKYGP-BLLLJJGKSA-N 1 0 333.388 1.987 20 5 EDBDRO O=C1NCCC12CC[NH+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)CC2 ZINC000877783552 597556146 /nfs/dbraw/zinc/55/61/46/597556146.db2.gz ZUESXKLAXOSZBM-UHFFFAOYSA-N 1 0 347.371 1.563 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000878380568 597598542 /nfs/dbraw/zinc/59/85/42/597598542.db2.gz BCPIHLDOIHZMBG-INIZCTEOSA-N 1 0 334.351 1.832 20 5 EDBDRO COc1ccc([C@@H]2CN(CCn3ccc([N+](=O)[O-])n3)CC[NH2+]2)cc1 ZINC000879520617 597615072 /nfs/dbraw/zinc/61/50/72/597615072.db2.gz GXKBIJPOEYURMF-HNNXBMFYSA-N 1 0 331.376 1.446 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879575780 597638677 /nfs/dbraw/zinc/63/86/77/597638677.db2.gz OVVBMZDGWFNTHX-ZFWWWQNUSA-N 1 0 332.404 1.949 20 5 EDBDRO CSC[C@@H]1CCCN1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000130990899 597649834 /nfs/dbraw/zinc/64/98/34/597649834.db2.gz VPLQBILLUYFAFU-NSHDSACASA-N 1 0 335.385 1.976 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878640006 597664094 /nfs/dbraw/zinc/66/40/94/597664094.db2.gz BSRUSUUHBGCGCX-FZMZJTMJSA-N 1 0 329.360 1.781 20 5 EDBDRO COC(=O)C1CC[NH+](CCCNc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881808717 597733046 /nfs/dbraw/zinc/73/30/46/597733046.db2.gz AFRNBGHLINIERD-UHFFFAOYSA-N 1 0 340.355 1.816 20 5 EDBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000132368629 597834868 /nfs/dbraw/zinc/83/48/68/597834868.db2.gz GIYLVLZREZWBFQ-NSHDSACASA-N 1 0 345.396 1.662 20 5 EDBDRO CCOc1cc(C(=O)NC[C@@H]2CC[N@@H+]2CC)c([N+](=O)[O-])cc1OC ZINC000882479683 597970713 /nfs/dbraw/zinc/97/07/13/597970713.db2.gz CCFDOLUAKWYKOA-NSHDSACASA-N 1 0 337.376 1.826 20 5 EDBDRO CC[N@@H+]1CC[C@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000882959420 598117146 /nfs/dbraw/zinc/11/71/46/598117146.db2.gz FNRTYZMJNBDLLQ-HNNXBMFYSA-N 1 0 334.420 1.933 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000917655899 697056004 /nfs/dbraw/zinc/05/60/04/697056004.db2.gz UKIHXHYYJUVVNC-QWHCGFSZSA-N 1 0 339.417 1.808 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000917654361 697059189 /nfs/dbraw/zinc/05/91/89/697059189.db2.gz FPLHLGIEIYPVLK-VXGBXAGGSA-N 1 0 325.390 1.500 20 5 EDBDRO C[C@@H](CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[NH+]1CCCC1 ZINC000920444976 697430910 /nfs/dbraw/zinc/43/09/10/697430910.db2.gz LPODQJJDRJYUKQ-LBPRGKRZSA-N 1 0 331.376 1.545 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2ccncc2Cl)CC1 ZINC000996429340 702783361 /nfs/dbraw/zinc/78/33/61/702783361.db2.gz QCTLABZFYNCDIG-TZMCWYRMSA-N 1 0 338.795 1.481 20 5 EDBDRO O=C(Cn1cccn1)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001002338197 708819165 /nfs/dbraw/zinc/81/91/65/708819165.db2.gz JTJLUSGJKHGETH-UHFFFAOYSA-N 1 0 343.387 1.572 20 5 EDBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ncc(C3CC3)o2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034642858 710318676 /nfs/dbraw/zinc/31/86/76/710318676.db2.gz GZGKAFMPDCTHPR-AAVRWANBSA-N 1 0 348.403 1.734 20 5 EDBDRO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000128449001 282200693 /nfs/dbraw/zinc/20/06/93/282200693.db2.gz SLDOMDOGEHKEMP-CYBMUJFWSA-N 1 0 348.403 1.208 20 5 EDBDRO [NH3+]C1(CNC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000561239467 306285197 /nfs/dbraw/zinc/28/51/97/306285197.db2.gz YPZKQKGHZHAXTH-UHFFFAOYSA-N 1 0 348.403 1.379 20 5 EDBDRO CC(C)[NH2+]C1(CO)CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000563361454 306329960 /nfs/dbraw/zinc/32/99/60/306329960.db2.gz IHRYBXQWUOIYKR-UHFFFAOYSA-N 1 0 347.419 1.796 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2cccnc2)c1 ZINC000065978375 138175423 /nfs/dbraw/zinc/17/54/23/138175423.db2.gz VVARAYDDGZXIGD-UHFFFAOYSA-N 1 0 336.373 1.058 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000068217804 138193301 /nfs/dbraw/zinc/19/33/01/138193301.db2.gz XCGNFMGXRZZGNI-CQSZACIVSA-N 1 0 349.366 1.658 20 5 EDBDRO CCC[C@H]1CN(c2c([N+](=O)[O-])c(CC)nn2C)CC[N@@H+]1CCOC ZINC000091680756 138284476 /nfs/dbraw/zinc/28/44/76/138284476.db2.gz OWDJPOVWGXMAGI-ZDUSSCGKSA-N 1 0 339.440 1.828 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107527077 138304409 /nfs/dbraw/zinc/30/44/09/138304409.db2.gz KITCCEBHWZBMJK-HNNXBMFYSA-N 1 0 349.435 1.967 20 5 EDBDRO Cc1c(CC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000125655822 138335463 /nfs/dbraw/zinc/33/54/63/138335463.db2.gz FXFNVCMBLNVUNX-OAHLLOKOSA-N 1 0 347.415 1.626 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1cccs1 ZINC000186766076 236011599 /nfs/dbraw/zinc/01/15/99/236011599.db2.gz KBSIVRQSGAKAQB-LLVKDONJSA-N 1 0 336.373 1.790 20 5 EDBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000041890012 201095273 /nfs/dbraw/zinc/09/52/73/201095273.db2.gz IUIGXYIMEMZMMS-NSHDSACASA-N 1 0 332.360 1.134 20 5 EDBDRO CNC(=O)C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000068372043 201163749 /nfs/dbraw/zinc/16/37/49/201163749.db2.gz AKQXUBZUPMPKGH-UHFFFAOYSA-N 1 0 348.403 1.690 20 5 EDBDRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000156122768 201399172 /nfs/dbraw/zinc/39/91/72/201399172.db2.gz LYQHGRVXEGHGCF-WCBMZHEXSA-N 1 0 333.797 1.749 20 5 EDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000109848883 219998186 /nfs/dbraw/zinc/99/81/86/219998186.db2.gz MWADQMUUQDNDBJ-ZDUSSCGKSA-N 1 0 332.404 1.877 20 5 EDBDRO COCCC[N@H+](CCO)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000189870213 138881922 /nfs/dbraw/zinc/88/19/22/138881922.db2.gz JRHZFFDWONNMCL-UHFFFAOYSA-N 1 0 339.392 1.563 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)ccc1[N+](=O)[O-] ZINC000194773458 139000413 /nfs/dbraw/zinc/00/04/13/139000413.db2.gz GGLCESWNTWQXSY-CYBMUJFWSA-N 1 0 327.406 1.699 20 5 EDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000108781751 204271646 /nfs/dbraw/zinc/27/16/46/204271646.db2.gz JSLCGVZANYXCNB-ZDUSSCGKSA-N 1 0 333.388 1.964 20 5 EDBDRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000236720922 139029527 /nfs/dbraw/zinc/02/95/27/139029527.db2.gz FCSSWCKBRVCBLB-CQSZACIVSA-N 1 0 329.422 1.778 20 5 EDBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000236927864 139035237 /nfs/dbraw/zinc/03/52/37/139035237.db2.gz WJVTZUKTRRNRSG-SNVBAGLBSA-N 1 0 325.365 1.859 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000237058181 139039442 /nfs/dbraw/zinc/03/94/42/139039442.db2.gz RGYNPELQDVTVLE-LLVKDONJSA-N 1 0 344.371 1.508 20 5 EDBDRO CCc1ccc(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1[N+](=O)[O-] ZINC000237135984 139041779 /nfs/dbraw/zinc/04/17/79/139041779.db2.gz IMGJMRLJHWOVGR-CQSZACIVSA-N 1 0 348.403 1.084 20 5 EDBDRO COc1cc(OCC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000237225647 139044914 /nfs/dbraw/zinc/04/49/14/139044914.db2.gz ZLQOAFPZZZKOKA-RYUDHWBXSA-N 1 0 337.376 1.568 20 5 EDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000237333290 139048363 /nfs/dbraw/zinc/04/83/63/139048363.db2.gz LMOKKXVLXUCSTR-UHFFFAOYSA-N 1 0 338.433 1.342 20 5 EDBDRO NC(=O)C1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128227232 205138309 /nfs/dbraw/zinc/13/83/09/205138309.db2.gz XAZLWSYAVGODEM-UHFFFAOYSA-N 1 0 338.339 1.260 20 5 EDBDRO COC(=O)/C=C/c1ccc(NC[C@@](C)(O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000132944613 205349771 /nfs/dbraw/zinc/34/97/71/205349771.db2.gz WYRPVLGAMHROMI-IQIBNGDESA-N 1 0 337.376 1.506 20 5 EDBDRO O=C(C[NH2+]C[C@H]1CCCO1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000237928580 139064034 /nfs/dbraw/zinc/06/40/34/139064034.db2.gz SSEPSDBHJJIDKF-MRXNPFEDSA-N 1 0 335.404 1.802 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC([NH2+]CC2CC2)CC1 ZINC000238006397 139066241 /nfs/dbraw/zinc/06/62/41/139066241.db2.gz JNTRPPFEWBUOBM-UHFFFAOYSA-N 1 0 333.388 1.964 20 5 EDBDRO C[NH+](C)CC[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000151022081 205602424 /nfs/dbraw/zinc/60/24/24/205602424.db2.gz XTXBZSZUGKGDKF-ZDUSSCGKSA-N 1 0 340.428 1.457 20 5 EDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCC(CO)CC1 ZINC000156282310 206068541 /nfs/dbraw/zinc/06/85/41/206068541.db2.gz AXPMUABSQXDLEN-XUJLQICISA-N 1 0 338.404 1.817 20 5 EDBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158388344 206188524 /nfs/dbraw/zinc/18/85/24/206188524.db2.gz OYLXAGNORHVSKS-QGZVFWFLSA-N 1 0 341.371 1.606 20 5 EDBDRO C[NH+](C)C1CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 ZINC000158464114 206191432 /nfs/dbraw/zinc/19/14/32/206191432.db2.gz QJXNHFBWMBWFAE-UHFFFAOYSA-N 1 0 348.359 1.055 20 5 EDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000159113765 206226246 /nfs/dbraw/zinc/22/62/46/206226246.db2.gz YYMHMFPYHOSSNI-MRXNPFEDSA-N 1 0 332.360 1.185 20 5 EDBDRO COC(=O)CC1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000567995478 306469073 /nfs/dbraw/zinc/46/90/73/306469073.db2.gz LXIKAYIARGBZNP-UHFFFAOYSA-N 1 0 335.360 1.917 20 5 EDBDRO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000160424874 206295298 /nfs/dbraw/zinc/29/52/98/206295298.db2.gz NFUWVJKLGNLBKL-ZDUSSCGKSA-N 1 0 334.420 1.798 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415351045 304201069 /nfs/dbraw/zinc/20/10/69/304201069.db2.gz NDCOGEKBBCIBNR-RYUDHWBXSA-N 1 0 334.376 1.346 20 5 EDBDRO Nc1nc(N2CC[NH+](CCc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000247695400 139154205 /nfs/dbraw/zinc/15/42/05/139154205.db2.gz ZMIZAFMFHNURJD-UHFFFAOYSA-N 1 0 328.376 1.332 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000415389407 304211936 /nfs/dbraw/zinc/21/19/36/304211936.db2.gz SVDRTZSOUMYDDY-LLVKDONJSA-N 1 0 348.403 1.682 20 5 EDBDRO Cc1c(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000249199646 139189038 /nfs/dbraw/zinc/18/90/38/139189038.db2.gz QRPFDAJFKRXXBK-AAEUAGOBSA-N 1 0 348.403 1.783 20 5 EDBDRO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC000376562005 291726155 /nfs/dbraw/zinc/72/61/55/291726155.db2.gz KRJZXCYXJVWHAL-WCQYABFASA-N 1 0 334.376 1.703 20 5 EDBDRO O=C(CC[C@@H]1CC[NH2+]C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000261600232 139209596 /nfs/dbraw/zinc/20/95/96/139209596.db2.gz BAOLWLJWNSENAM-CQSZACIVSA-N 1 0 332.404 1.633 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000261632555 139212943 /nfs/dbraw/zinc/21/29/43/139212943.db2.gz FNCMTNHXOGMTRQ-CYBMUJFWSA-N 1 0 327.406 1.570 20 5 EDBDRO CCOc1cc(C(=O)N2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000261740444 139222231 /nfs/dbraw/zinc/22/22/31/139222231.db2.gz DIHDCCWDKLOIQL-INIZCTEOSA-N 1 0 337.376 1.813 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000261764729 139224192 /nfs/dbraw/zinc/22/41/92/139224192.db2.gz QDQCVYLPLQTVFE-JQWIXIFHSA-N 1 0 343.405 1.494 20 5 EDBDRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000261943432 139238874 /nfs/dbraw/zinc/23/88/74/139238874.db2.gz XUTJJIAORARUMO-LBPRGKRZSA-N 1 0 346.309 1.161 20 5 EDBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000261953188 139239697 /nfs/dbraw/zinc/23/96/97/139239697.db2.gz KIBWTGVFPFNUBY-INIZCTEOSA-N 1 0 329.360 1.591 20 5 EDBDRO CCCN(c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000261954784 139239764 /nfs/dbraw/zinc/23/97/64/139239764.db2.gz NVDQXTPXVARZCZ-LLVKDONJSA-N 1 0 327.406 1.577 20 5 EDBDRO [NH3+]C1(c2noc(CNC(=O)NCc3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000261976424 139241178 /nfs/dbraw/zinc/24/11/78/139241178.db2.gz QVEXXOCLVGJEGC-UHFFFAOYSA-N 1 0 346.347 1.315 20 5 EDBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2[nH]nc(C)c2[N+](=O)[O-])cc1 ZINC000261993445 139242474 /nfs/dbraw/zinc/24/24/74/139242474.db2.gz PFICJGPNRXBMFX-CQSZACIVSA-N 1 0 343.387 1.975 20 5 EDBDRO COC(=O)COc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000262007864 139243528 /nfs/dbraw/zinc/24/35/28/139243528.db2.gz UUFMRWIYDBOPCR-BFHYXJOUSA-N 1 0 349.387 1.316 20 5 EDBDRO C[C@@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000262012571 139243856 /nfs/dbraw/zinc/24/38/56/139243856.db2.gz WRGCRLCWCWTQPV-ZJUUUORDSA-N 1 0 328.394 1.042 20 5 EDBDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH3+] ZINC000415468355 250955298 /nfs/dbraw/zinc/95/52/98/250955298.db2.gz VYADQSLCXJGFJZ-LDYMZIIASA-N 1 0 340.767 1.382 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000174869767 207067651 /nfs/dbraw/zinc/06/76/51/207067651.db2.gz SWWHSTONGQIDMY-CYBMUJFWSA-N 1 0 341.375 1.714 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC000416305991 251063560 /nfs/dbraw/zinc/06/35/60/251063560.db2.gz DPYPSTXHDIHNNL-UHFFFAOYSA-N 1 0 339.417 1.503 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000175090646 207093093 /nfs/dbraw/zinc/09/30/93/207093093.db2.gz MFNWTQXBTWOTDA-AAEUAGOBSA-N 1 0 327.406 1.746 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000569361841 306505538 /nfs/dbraw/zinc/50/55/38/306505538.db2.gz WGPJKCAONGMBFG-LLVKDONJSA-N 1 0 341.433 1.905 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000175390353 207124170 /nfs/dbraw/zinc/12/41/70/207124170.db2.gz JXZKNVMXJAHSEG-LBPRGKRZSA-N 1 0 327.406 1.700 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000175822532 207163204 /nfs/dbraw/zinc/16/32/04/207163204.db2.gz YXGPLCZJNRTFGP-GFCCVEGCSA-N 1 0 343.405 1.366 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000176054453 207186295 /nfs/dbraw/zinc/18/62/95/207186295.db2.gz XNPJQBVUDRFDQR-LLVKDONJSA-N 1 0 345.396 1.805 20 5 EDBDRO Cc1ccc(NCCCNC(=O)N2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000417717116 251238688 /nfs/dbraw/zinc/23/86/88/251238688.db2.gz MNTQBJPDYIDJHC-UHFFFAOYSA-N 1 0 335.408 1.838 20 5 EDBDRO [NH3+]CCC1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000569468696 306508610 /nfs/dbraw/zinc/50/86/10/306508610.db2.gz TUQNYSYSRJNMMC-UHFFFAOYSA-N 1 0 343.387 1.982 20 5 EDBDRO Cn1cc(C(=O)NC[C@H]2CCC[NH2+]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262565355 139287027 /nfs/dbraw/zinc/28/70/27/139287027.db2.gz CHVMQQOOVQPWQO-GFCCVEGCSA-N 1 0 329.360 1.477 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000419154831 251487722 /nfs/dbraw/zinc/48/77/22/251487722.db2.gz AHDALKOPFLMKAE-IPYPFGDCSA-N 1 0 348.403 1.548 20 5 EDBDRO C[C@@H](CC[NH3+])Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000420226092 251650424 /nfs/dbraw/zinc/65/04/24/251650424.db2.gz KMIJFMINEOAMNT-VIFPVBQESA-N 1 0 337.767 1.943 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420344279 251686658 /nfs/dbraw/zinc/68/66/58/251686658.db2.gz SKSIVTDMESJYDF-RISCZKNCSA-N 1 0 332.360 1.187 20 5 EDBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262762071 139301866 /nfs/dbraw/zinc/30/18/66/139301866.db2.gz GGWQRZIYQDLWHD-WPRPVWTQSA-N 1 0 333.797 1.667 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000423948078 252106556 /nfs/dbraw/zinc/10/65/56/252106556.db2.gz JSIJIBGUVSSOBL-KCJUWKMLSA-N 1 0 347.293 1.955 20 5 EDBDRO C[C@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000423947597 252107072 /nfs/dbraw/zinc/10/70/72/252107072.db2.gz JFZOUZNMJWNRAR-GXSJLCMTSA-N 1 0 327.768 1.823 20 5 EDBDRO Cc1c(CC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000424222263 252168941 /nfs/dbraw/zinc/16/89/41/252168941.db2.gz DSFDMXJMYLKUFV-LSDHHAIUSA-N 1 0 343.387 1.133 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000178010803 207430084 /nfs/dbraw/zinc/43/00/84/207430084.db2.gz KKAYQYULOLNSLH-JSGCOSHPSA-N 1 0 348.403 1.831 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000425808450 252311102 /nfs/dbraw/zinc/31/11/02/252311102.db2.gz HKPCYSMUQVFTRW-SWLSCSKDSA-N 1 0 346.387 1.394 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000415674631 304253775 /nfs/dbraw/zinc/25/37/75/304253775.db2.gz IDHQWJHFKLQUFQ-GFCCVEGCSA-N 1 0 334.376 1.429 20 5 EDBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000154371508 285156343 /nfs/dbraw/zinc/15/63/43/285156343.db2.gz FMKGAXLQINKFBS-ZDUSSCGKSA-N 1 0 329.353 1.108 20 5 EDBDRO [NH3+]CCN(CCO)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415708165 304260358 /nfs/dbraw/zinc/26/03/58/304260358.db2.gz XCOBIPMPSBPRMK-UHFFFAOYSA-N 1 0 347.169 1.142 20 5 EDBDRO COC(=O)[C@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@H+](C)C1 ZINC000493460729 255209848 /nfs/dbraw/zinc/20/98/48/255209848.db2.gz MQMUJUQELLOBTD-BMWLXYDHSA-N 1 0 347.371 1.171 20 5 EDBDRO NC(=O)NC(=O)OCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000494487407 255252594 /nfs/dbraw/zinc/25/25/94/255252594.db2.gz UPDJWZXVJCHBTR-UHFFFAOYSA-N 1 0 336.348 1.754 20 5 EDBDRO Cc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000264292328 139394303 /nfs/dbraw/zinc/39/43/03/139394303.db2.gz XFRAEHGEIHWEAX-UHFFFAOYSA-N 1 0 349.366 1.969 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000416112858 304289944 /nfs/dbraw/zinc/28/99/44/304289944.db2.gz XVIHFBIHIKXAHC-UHFFFAOYSA-N 1 0 337.424 1.823 20 5 EDBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000571177840 306559966 /nfs/dbraw/zinc/55/99/66/306559966.db2.gz RQDTUSBASXAKTA-UHFFFAOYSA-N 1 0 332.364 1.998 20 5 EDBDRO C[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[NH2+]C1 ZINC000269223330 139897083 /nfs/dbraw/zinc/89/70/83/139897083.db2.gz SZAAJXDSYKDQQI-WDEREUQCSA-N 1 0 344.371 1.967 20 5 EDBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000270878459 140188683 /nfs/dbraw/zinc/18/86/83/140188683.db2.gz KYAIMNXEZTYANR-GXTWGEPZSA-N 1 0 343.387 1.958 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)cc([N+](=O)[O-])c1F ZINC000271682594 140333089 /nfs/dbraw/zinc/33/30/89/140333089.db2.gz NBUYZHSIUDZYIZ-LLVKDONJSA-N 1 0 345.396 1.757 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000271683285 140333202 /nfs/dbraw/zinc/33/32/02/140333202.db2.gz CXZSVCDVZHFHPT-CYBMUJFWSA-N 1 0 327.406 1.151 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272455929 140460407 /nfs/dbraw/zinc/46/04/07/140460407.db2.gz RBQMTZGBLYZELK-FZMZJTMJSA-N 1 0 325.390 1.310 20 5 EDBDRO Cc1cc(N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000327200406 140665547 /nfs/dbraw/zinc/66/55/47/140665547.db2.gz HSJOBXRJSWGXEG-GDBMZVCRSA-N 1 0 346.431 1.988 20 5 EDBDRO C[C@]1(CO)CCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331634568 141059820 /nfs/dbraw/zinc/05/98/20/141059820.db2.gz IXCHZCJNKCDVLI-NVXWUHKLSA-N 1 0 333.388 1.625 20 5 EDBDRO CC(C)[NH+]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000332599632 141212030 /nfs/dbraw/zinc/21/20/30/141212030.db2.gz MZMGIRGQXZDFCI-UHFFFAOYSA-N 1 0 349.387 1.461 20 5 EDBDRO CCNC(=O)[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000339318697 142013366 /nfs/dbraw/zinc/01/33/66/142013366.db2.gz UOYLPWRSGJSFNG-OAHLLOKOSA-N 1 0 336.392 1.592 20 5 EDBDRO Cc1cnc(N[C@H](CC(C)C)C(=O)NCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000340081064 142259923 /nfs/dbraw/zinc/25/99/23/142259923.db2.gz ZYCZVRZDHDKXMV-CYBMUJFWSA-N 1 0 337.424 1.803 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)c(F)c1 ZINC000340163484 142288546 /nfs/dbraw/zinc/28/85/46/142288546.db2.gz BDZCTYFMOQQPKA-UHFFFAOYSA-N 1 0 331.369 1.498 20 5 EDBDRO C[N@@H+]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000343665089 142871425 /nfs/dbraw/zinc/87/14/25/142871425.db2.gz NQWOFTYAKYVSBP-UHFFFAOYSA-N 1 0 327.331 1.968 20 5 EDBDRO CN1C(=O)N[C@@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000345668347 143118947 /nfs/dbraw/zinc/11/89/47/143118947.db2.gz SNMNBCORQZWEIU-KGLIPLIRSA-N 1 0 347.375 1.021 20 5 EDBDRO CC[NH+](CC)CC1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000345882759 143143123 /nfs/dbraw/zinc/14/31/23/143143123.db2.gz LHDYTNZOLCTYJA-UHFFFAOYSA-N 1 0 337.424 1.680 20 5 EDBDRO Cc1noc([C@@H]2CC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)n1 ZINC000346249914 143183549 /nfs/dbraw/zinc/18/35/49/143183549.db2.gz XXYIHUZPJHPAMT-OLZOCXBDSA-N 1 0 348.359 1.515 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](F)C[C@@H]1CO ZINC000346365536 143197083 /nfs/dbraw/zinc/19/70/83/143197083.db2.gz FOZLWTHNWJTMIC-WCQYABFASA-N 1 0 325.340 1.637 20 5 EDBDRO CNc1c(C(=O)N(C)C[C@H]2C[C@H](OC)C[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000346700406 143234024 /nfs/dbraw/zinc/23/40/24/143234024.db2.gz PSEXBMJHURUGNB-NEPJUHHUSA-N 1 0 336.392 1.428 20 5 EDBDRO Cc1c(C[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccnn2C)cccc1[N+](=O)[O-] ZINC000346727641 143238526 /nfs/dbraw/zinc/23/85/26/143238526.db2.gz ALXBSFKILMZMPE-SUMWQHHRSA-N 1 0 343.387 1.698 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C[NH+](C)C)CC1 ZINC000347149992 143288033 /nfs/dbraw/zinc/28/80/33/143288033.db2.gz DERSQDJRVRLTIA-UHFFFAOYSA-N 1 0 341.433 1.866 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000416507569 304326423 /nfs/dbraw/zinc/32/64/23/304326423.db2.gz LCLUVESZNPHNRZ-UHFFFAOYSA-N 1 0 329.422 1.830 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)c1 ZINC000369824685 155192152 /nfs/dbraw/zinc/19/21/52/155192152.db2.gz CTACZGAWFIXKKF-RDJZCZTQSA-N 1 0 346.387 1.696 20 5 EDBDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(c3nnnn3C)CC2)cc1[N+](=O)[O-] ZINC000369828690 155193371 /nfs/dbraw/zinc/19/33/71/155193371.db2.gz BQKQTECISRHQOO-GFCCVEGCSA-N 1 0 345.407 1.746 20 5 EDBDRO Cn1c(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000340470032 149052375 /nfs/dbraw/zinc/05/23/75/149052375.db2.gz MIDYGRJONNRZBK-CQSZACIVSA-N 1 0 330.388 1.836 20 5 EDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2cc(CO)nn2)cc1 ZINC000353196293 149321107 /nfs/dbraw/zinc/32/11/07/149321107.db2.gz XDSGSICJSPYEMR-HOTGVXAUSA-N 1 0 331.376 1.952 20 5 EDBDRO COc1cc(OCC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000357384611 151014648 /nfs/dbraw/zinc/01/46/48/151014648.db2.gz FLPZGFYDWYYIJC-NEPJUHHUSA-N 1 0 337.376 1.581 20 5 EDBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000358036220 151242220 /nfs/dbraw/zinc/24/22/20/151242220.db2.gz KRRDKZDCSUEJMK-OCCSQVGLSA-N 1 0 341.433 1.978 20 5 EDBDRO C[C@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000417137848 304376712 /nfs/dbraw/zinc/37/67/12/304376712.db2.gz NFBLFXHFBHCOLP-JOYOIKCWSA-N 1 0 328.319 1.952 20 5 EDBDRO Cc1c([C@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cnn1C ZINC000360847045 152227920 /nfs/dbraw/zinc/22/79/20/152227920.db2.gz GPJSSPLHTOOWKF-DZGCQCFKSA-N 1 0 334.380 1.031 20 5 EDBDRO Cc1nn(CCC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(C)c1[N+](=O)[O-] ZINC000361100458 152304865 /nfs/dbraw/zinc/30/48/65/152304865.db2.gz YJKORUJUKBIUAN-UONOGXRCSA-N 1 0 335.408 1.303 20 5 EDBDRO CN(CC(=O)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000361103510 152305206 /nfs/dbraw/zinc/30/52/06/152305206.db2.gz CEYDLXUYOZOYSY-ZIAGYGMSSA-N 1 0 332.404 1.535 20 5 EDBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000361102627 152305411 /nfs/dbraw/zinc/30/54/11/152305411.db2.gz ABQSJCQBVLINDO-SMDDNHRTSA-N 1 0 329.360 1.589 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000370202992 155374606 /nfs/dbraw/zinc/37/46/06/155374606.db2.gz YVEXGYCWOGTLSN-CQSZACIVSA-N 1 0 335.404 1.758 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000417190637 304382708 /nfs/dbraw/zinc/38/27/08/304382708.db2.gz YMSPDUSTYOOEDR-SMDDNHRTSA-N 1 0 336.392 1.920 20 5 EDBDRO O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000364216689 153177943 /nfs/dbraw/zinc/17/79/43/153177943.db2.gz SCURKZPHXHYYJJ-NVXWUHKLSA-N 1 0 330.388 1.243 20 5 EDBDRO NC(=O)[C@@]1(O)CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000367491932 154146265 /nfs/dbraw/zinc/14/62/65/154146265.db2.gz BDMLRKBUYCLCRM-QGZVFWFLSA-N 1 0 345.355 1.667 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C[C@H]1CCn2ccnc2C1 ZINC000369499369 155061046 /nfs/dbraw/zinc/06/10/46/155061046.db2.gz GKUZWFGRZBXBND-LBPRGKRZSA-N 1 0 332.364 1.017 20 5 EDBDRO CO[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000371737628 156085413 /nfs/dbraw/zinc/08/54/13/156085413.db2.gz WAJDLKGTXWNAFB-HNNXBMFYSA-N 1 0 333.388 1.985 20 5 EDBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)C2)CC1 ZINC000371888389 156152630 /nfs/dbraw/zinc/15/26/30/156152630.db2.gz OMESBMWRAKOFOF-LBPRGKRZSA-N 1 0 333.392 1.376 20 5 EDBDRO [NH3+]CCCCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000575177535 306666203 /nfs/dbraw/zinc/66/62/03/306666203.db2.gz JEIRVYHKWKBINP-UHFFFAOYSA-N 1 0 340.405 1.070 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@H]2O)cc1 ZINC000374180199 157182014 /nfs/dbraw/zinc/18/20/14/157182014.db2.gz ZDBIQMIQEGZEOY-GVDBMIGSSA-N 1 0 336.388 1.835 20 5 EDBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000374534685 157320838 /nfs/dbraw/zinc/32/08/38/157320838.db2.gz NKWYWSKMUWTXCA-LBPRGKRZSA-N 1 0 347.375 1.980 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000378247937 158120314 /nfs/dbraw/zinc/12/03/14/158120314.db2.gz FTPGHXFWADJBBF-XNRPHZJLSA-N 1 0 348.403 1.501 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000378407550 158165650 /nfs/dbraw/zinc/16/56/50/158165650.db2.gz XTFJRCCYQFBNMH-OLZOCXBDSA-N 1 0 329.360 1.156 20 5 EDBDRO C[NH+](C)CCn1ccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)n1 ZINC000089222700 287319503 /nfs/dbraw/zinc/31/95/03/287319503.db2.gz PTGIYRGFAHZVFT-UHFFFAOYSA-N 1 0 346.391 1.717 20 5 EDBDRO CC[NH+]1CCN([C@H](C)CNC(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000122789968 287383378 /nfs/dbraw/zinc/38/33/78/287383378.db2.gz SYZMHMGTPMWPNO-CQSZACIVSA-N 1 0 348.447 1.588 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)c([N+](=O)[O-])c1 ZINC000124460159 287398731 /nfs/dbraw/zinc/39/87/31/287398731.db2.gz UUGXCJQNQXVHLS-AWEZNQCLSA-N 1 0 329.422 1.945 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000122585610 222117753 /nfs/dbraw/zinc/11/77/53/222117753.db2.gz IYRSXQMESQFOQE-AWEZNQCLSA-N 1 0 343.387 1.723 20 5 EDBDRO COCC[NH2+]CCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418504323 304504814 /nfs/dbraw/zinc/50/48/14/304504814.db2.gz BGBCIIPFVQYYOY-UHFFFAOYSA-N 1 0 336.392 1.505 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000186942017 533685626 /nfs/dbraw/zinc/68/56/26/533685626.db2.gz AGWRGTMYQHXMDD-VXGBXAGGSA-N 1 0 346.387 1.603 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000194322699 273002438 /nfs/dbraw/zinc/00/24/38/273002438.db2.gz HHLDJFDPVJUXNS-AWEZNQCLSA-N 1 0 335.339 1.350 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000268496738 273021901 /nfs/dbraw/zinc/02/19/01/273021901.db2.gz TXDKMFRNFHKIGP-UHFFFAOYSA-N 1 0 335.404 1.868 20 5 EDBDRO CC[NH+]1CCC(Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000273510060 268055750 /nfs/dbraw/zinc/05/57/50/268055750.db2.gz UJOTZMGAQOYXLF-UHFFFAOYSA-N 1 0 328.394 1.138 20 5 EDBDRO C[NH+](C)CCCCNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000273058381 273026251 /nfs/dbraw/zinc/02/62/51/273026251.db2.gz WYQFCQOQMCRRPO-HNNXBMFYSA-N 1 0 334.376 1.546 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000274848842 268221346 /nfs/dbraw/zinc/22/13/46/268221346.db2.gz YASWZUQHJPBWCJ-SECBINFHSA-N 1 0 344.165 1.157 20 5 EDBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1OC ZINC000274945977 268245949 /nfs/dbraw/zinc/24/59/49/268245949.db2.gz RFWNFLADQCANNJ-HFBAOOFYSA-N 1 0 340.376 1.894 20 5 EDBDRO C[NH+](C)C1(CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CCC1 ZINC000275478126 268348948 /nfs/dbraw/zinc/34/89/48/268348948.db2.gz PGVOCHBNHUQZLE-UHFFFAOYSA-N 1 0 328.394 1.138 20 5 EDBDRO CN1CC[C@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1=O ZINC000275524989 268354569 /nfs/dbraw/zinc/35/45/69/268354569.db2.gz WGQRFOYWLGYFJK-ZDUSSCGKSA-N 1 0 338.339 1.225 20 5 EDBDRO Cc1c(NC(=O)C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000275797521 268373524 /nfs/dbraw/zinc/37/35/24/268373524.db2.gz CLQIDFDVOWIXQZ-GFCCVEGCSA-N 1 0 334.376 1.252 20 5 EDBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000277429571 273196302 /nfs/dbraw/zinc/19/63/02/273196302.db2.gz KOGOKWIQHFWVAX-AAEUAGOBSA-N 1 0 337.376 1.947 20 5 EDBDRO C[C@@H]1COCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000277452705 273199574 /nfs/dbraw/zinc/19/95/74/273199574.db2.gz MBANCSMSWSHCSX-BXUZGUMPSA-N 1 0 328.390 1.383 20 5 EDBDRO COC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCO1 ZINC000279110720 273280425 /nfs/dbraw/zinc/28/04/25/273280425.db2.gz SKLMRXJBAQIKGY-GJZGRUSLSA-N 1 0 337.376 1.625 20 5 EDBDRO O=C(NCC[N@H+]1CC=CCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000279790078 273327254 /nfs/dbraw/zinc/32/72/54/273327254.db2.gz DDZPRTGCGTWTGU-UHFFFAOYSA-N 1 0 341.371 1.772 20 5 EDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000261965144 273967905 /nfs/dbraw/zinc/96/79/05/273967905.db2.gz AUJORNHWHGEQOC-GFCCVEGCSA-N 1 0 329.360 1.605 20 5 EDBDRO COC(=O)[C@]12C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@H]1CCCC2 ZINC000284902901 274380219 /nfs/dbraw/zinc/38/02/19/274380219.db2.gz UVSMVZNHGBAZLJ-CXAGYDPISA-N 1 0 349.387 1.422 20 5 EDBDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285033720 274430219 /nfs/dbraw/zinc/43/02/19/274430219.db2.gz GEVQXLXYKQNZAY-UHFFFAOYSA-N 1 0 345.403 1.955 20 5 EDBDRO O=C1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C2CC2)N1 ZINC000375275632 275018250 /nfs/dbraw/zinc/01/82/50/275018250.db2.gz DQWDDWUFONJYEH-WFASDCNBSA-N 1 0 334.332 1.650 20 5 EDBDRO CC1(C)CCC[NH2+][C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262583835 275816104 /nfs/dbraw/zinc/81/61/04/275816104.db2.gz ZLIXNBOSHNVFDI-CYBMUJFWSA-N 1 0 327.406 1.651 20 5 EDBDRO C[NH2+]CCC1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000261777284 277021448 /nfs/dbraw/zinc/02/14/48/277021448.db2.gz RMRRQJHUJLPGOB-UHFFFAOYSA-N 1 0 342.421 1.068 20 5 EDBDRO C[NH2+]C1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000193273289 277263273 /nfs/dbraw/zinc/26/32/73/277263273.db2.gz XMYBEICGFDTKGG-UHFFFAOYSA-N 1 0 347.824 1.929 20 5 EDBDRO COc1ccc2c(c1)[C@@H]([NH3+])CCN2C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000365495643 277979982 /nfs/dbraw/zinc/97/99/82/277979982.db2.gz SAHDLIWKHPEHKD-ZDUSSCGKSA-N 1 0 345.359 1.545 20 5 EDBDRO C[C@@H](C[NH3+])N(C)c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000420189973 278247787 /nfs/dbraw/zinc/24/77/87/278247787.db2.gz QEDOBVXCRIJYIT-VIFPVBQESA-N 1 0 337.767 1.578 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)CN2CCOCC2)n1 ZINC000287136668 288163850 /nfs/dbraw/zinc/16/38/50/288163850.db2.gz DMKYJSNZQACFES-NSHDSACASA-N 1 0 338.364 1.157 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000186930541 280258613 /nfs/dbraw/zinc/25/86/13/280258613.db2.gz LFBDWADWMSVCNS-JLLWLGSASA-N 1 0 334.332 1.621 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000290406605 288894076 /nfs/dbraw/zinc/89/40/76/288894076.db2.gz MIZACLOEUBSMGW-GWCFXTLKSA-N 1 0 333.344 1.063 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)[NH2+]Cc2c[nH]c3nccnc23)cc1 ZINC000290827404 288959760 /nfs/dbraw/zinc/95/97/60/288959760.db2.gz HODHABNCTDGMCR-HIFRSBDPSA-N 1 0 343.343 1.050 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000291933743 289219393 /nfs/dbraw/zinc/21/93/93/289219393.db2.gz CHUJBMOVAGBXGQ-SMDDNHRTSA-N 1 0 326.356 1.967 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000291957408 289225786 /nfs/dbraw/zinc/22/57/86/289225786.db2.gz NYOLHYRRIVFTAY-KRWDZBQOSA-N 1 0 348.403 1.841 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000267256784 289303307 /nfs/dbraw/zinc/30/33/07/289303307.db2.gz FLSNUOSZSYZSQI-VXGBXAGGSA-N 1 0 349.387 1.969 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000261706392 295027936 /nfs/dbraw/zinc/02/79/36/295027936.db2.gz KPZBZKNRBAHBRZ-LLVKDONJSA-N 1 0 343.405 1.495 20 5 EDBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293508034 302976637 /nfs/dbraw/zinc/97/66/37/302976637.db2.gz SVZUACYMORCSDC-KBPBESRZSA-N 1 0 341.371 1.605 20 5 EDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000293758974 303014218 /nfs/dbraw/zinc/01/42/18/303014218.db2.gz YVLNNAUOVVDNIS-NSHDSACASA-N 1 0 339.396 1.636 20 5 EDBDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000294764729 303144494 /nfs/dbraw/zinc/14/44/94/303144494.db2.gz XLPLVCSNSAMMGR-KHGFPJFYSA-N 1 0 333.388 1.522 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295347178 303207680 /nfs/dbraw/zinc/20/76/80/303207680.db2.gz NWJQQMKIGWUYPQ-YHWZYXNKSA-N 1 0 339.417 1.807 20 5 EDBDRO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000296242091 303304116 /nfs/dbraw/zinc/30/41/16/303304116.db2.gz NMQGVGHRSZSOBA-YGRLFVJLSA-N 1 0 325.340 1.908 20 5 EDBDRO Cc1nn(C)c(N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)c1[N+](=O)[O-] ZINC000377736782 447328800 /nfs/dbraw/zinc/32/88/00/447328800.db2.gz CKGUMMLQKKYDEJ-MRVWCRGKSA-N 1 0 337.424 1.938 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000321982207 304809664 /nfs/dbraw/zinc/80/96/64/304809664.db2.gz MQUNTBAZJAFIDI-QWHCGFSZSA-N 1 0 339.417 1.748 20 5 EDBDRO Cc1c(C(=O)N[C@H](C[NH3+])C(C)(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000423954841 304920900 /nfs/dbraw/zinc/92/09/00/304920900.db2.gz NMSGASQUXBXJHG-CYBMUJFWSA-N 1 0 346.391 1.587 20 5 EDBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000423980532 304922206 /nfs/dbraw/zinc/92/22/06/304922206.db2.gz QGPRVRDQBFXPQM-OAHLLOKOSA-N 1 0 345.403 1.868 20 5 EDBDRO CN(CC(=O)N1C[C@H]([NH3+])Cc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000424076338 304927825 /nfs/dbraw/zinc/92/78/25/304927825.db2.gz NCTBXTHIHHFARZ-CQSZACIVSA-N 1 0 340.383 1.948 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000428029891 305004421 /nfs/dbraw/zinc/00/44/21/305004421.db2.gz FYEMLAYWZRATFJ-OUCADQQQSA-N 1 0 348.403 1.614 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428037052 305004839 /nfs/dbraw/zinc/00/48/39/305004839.db2.gz XYCWRLCNOLRQCS-YPMHNXCESA-N 1 0 334.376 1.226 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@@H]1C[NH3+] ZINC000430616600 305059169 /nfs/dbraw/zinc/05/91/69/305059169.db2.gz GICWEONIUDVKFM-CYBMUJFWSA-N 1 0 336.392 1.745 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000434503188 305123699 /nfs/dbraw/zinc/12/36/99/305123699.db2.gz HBUAPKHGUDTALR-HNNXBMFYSA-N 1 0 344.419 1.677 20 5 EDBDRO C[C@H]1[NH2+]CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H]1C ZINC000436050104 305151300 /nfs/dbraw/zinc/15/13/00/305151300.db2.gz MRAGETDLRODFDL-VXGBXAGGSA-N 1 0 334.376 1.575 20 5 EDBDRO O=C(NCC[N@@H+]1CCCOCC1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000438681844 305188040 /nfs/dbraw/zinc/18/80/40/305188040.db2.gz PTAMEQDBPABBDU-UHFFFAOYSA-N 1 0 332.360 1.528 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000440438515 305206743 /nfs/dbraw/zinc/20/67/43/305206743.db2.gz CNNZRQBASCMMFM-NSHDSACASA-N 1 0 345.808 1.763 20 5 EDBDRO COC(=O)CC1(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000440763928 305212467 /nfs/dbraw/zinc/21/24/67/305212467.db2.gz LJPXTMSUQIMKDH-GFCCVEGCSA-N 1 0 334.376 1.819 20 5 EDBDRO C[C@]1(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000440856245 305213434 /nfs/dbraw/zinc/21/34/34/305213434.db2.gz GZERKJDRDQSJPY-ZDUSSCGKSA-N 1 0 347.824 1.916 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000440858954 305213641 /nfs/dbraw/zinc/21/36/41/305213641.db2.gz MDMBFYVVURQSDE-AWEZNQCLSA-N 1 0 327.406 1.571 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000447250318 305276191 /nfs/dbraw/zinc/27/61/91/305276191.db2.gz WBLHUMOKCFKSMP-VXGBXAGGSA-N 1 0 327.406 1.569 20 5 EDBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449255524 305309921 /nfs/dbraw/zinc/30/99/21/305309921.db2.gz DVFWMSPCCGTDOM-UKPHBRMFSA-N 1 0 338.404 1.936 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000451293737 305336888 /nfs/dbraw/zinc/33/68/88/305336888.db2.gz BLFQURLQBUCQFI-DAXOMENPSA-N 1 0 336.388 1.965 20 5 EDBDRO O=C(C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000451613404 305356312 /nfs/dbraw/zinc/35/63/12/305356312.db2.gz QQNHAMFEKMOUMO-SUMWQHHRSA-N 1 0 333.388 1.920 20 5 EDBDRO COC[C@@]1(CO)CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000451921952 305372639 /nfs/dbraw/zinc/37/26/39/305372639.db2.gz DGSSQYBYRRKQSQ-INIZCTEOSA-N 1 0 340.376 1.313 20 5 EDBDRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000452094227 305382406 /nfs/dbraw/zinc/38/24/06/305382406.db2.gz YXARDLZQQVNWTI-UHFFFAOYSA-N 1 0 341.433 1.889 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000457393289 305487797 /nfs/dbraw/zinc/48/77/97/305487797.db2.gz ZBAKWFSOQJWBLW-QWHCGFSZSA-N 1 0 347.350 1.424 20 5 EDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000492363720 305590256 /nfs/dbraw/zinc/59/02/56/305590256.db2.gz KVGUQUIHWBYSEP-VSGCLNPGSA-N 1 0 335.404 1.817 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000547714248 306109658 /nfs/dbraw/zinc/10/96/58/306109658.db2.gz JMEQVHZKAKHMEG-GFCCVEGCSA-N 1 0 327.406 1.666 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCC[NH2+]C(C)C ZINC000556987702 306222628 /nfs/dbraw/zinc/22/26/28/306222628.db2.gz MQYHESSHKJFHJG-UHFFFAOYSA-N 1 0 336.392 1.654 20 5 EDBDRO O=C(NC[C@H]1CC[NH2+]C1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414949958 447370429 /nfs/dbraw/zinc/37/04/29/447370429.db2.gz OCYOUTNABHSQQW-QMMMGPOBSA-N 1 0 330.291 1.927 20 5 EDBDRO C[C@H](C(=O)NCC[NH+]1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000456588969 447418658 /nfs/dbraw/zinc/41/86/58/447418658.db2.gz YGEPCYHBFBBTII-NSHDSACASA-N 1 0 339.367 1.410 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)cccc1[N+](=O)[O-] ZINC000415422064 447420911 /nfs/dbraw/zinc/42/09/11/447420911.db2.gz DIJLCTOUZOGOKL-AWEZNQCLSA-N 1 0 348.403 1.866 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046036531 441072598 /nfs/dbraw/zinc/07/25/98/441072598.db2.gz OOXKSCDKSYGYCI-GXTWGEPZSA-N 1 0 339.417 1.808 20 5 EDBDRO CC[NH+]1CCC(NC(=O)CN(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000046599092 441115353 /nfs/dbraw/zinc/11/53/53/441115353.db2.gz FUTJAHFWOPJZCO-UHFFFAOYSA-N 1 0 334.420 1.627 20 5 EDBDRO C[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000057711920 441130374 /nfs/dbraw/zinc/13/03/74/441130374.db2.gz PEBWUJHWSXZBPF-GFCCVEGCSA-N 1 0 343.387 1.993 20 5 EDBDRO NS(=O)(=O)c1cc(NC2CC[NH+](C3CC3)CC2)cc([N+](=O)[O-])c1 ZINC000080147876 441145349 /nfs/dbraw/zinc/14/53/49/441145349.db2.gz KRPSFEYKDSXXEF-UHFFFAOYSA-N 1 0 340.405 1.281 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000102216707 441167083 /nfs/dbraw/zinc/16/70/83/441167083.db2.gz BEMMSSAJVVOLQC-OAHLLOKOSA-N 1 0 345.403 1.946 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000060113403 441233318 /nfs/dbraw/zinc/23/33/18/441233318.db2.gz PJODGHJOOABSCC-AWEZNQCLSA-N 1 0 339.417 1.844 20 5 EDBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1cnccn1 ZINC000080965576 441213245 /nfs/dbraw/zinc/21/32/45/441213245.db2.gz PCRFTLBJZHZZRP-UHFFFAOYSA-N 1 0 343.343 1.815 20 5 EDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000083073972 441350358 /nfs/dbraw/zinc/35/03/58/441350358.db2.gz AJRWKXLAJSRPES-UHFFFAOYSA-N 1 0 334.376 1.923 20 5 EDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(CC[NH+]2CCCC2)CC1 ZINC000052843914 441480006 /nfs/dbraw/zinc/48/00/06/441480006.db2.gz NSSIKBQNIPVLSK-UHFFFAOYSA-N 1 0 346.431 1.377 20 5 EDBDRO C[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000087356930 441488577 /nfs/dbraw/zinc/48/85/77/441488577.db2.gz CIXLHVYHCBVGEG-AWEZNQCLSA-N 1 0 334.420 1.280 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000113456315 441610627 /nfs/dbraw/zinc/61/06/27/441610627.db2.gz FYSGLOQHJJBHAH-LBPRGKRZSA-N 1 0 344.375 1.199 20 5 EDBDRO O=C1CCCN1C[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090548830 441633759 /nfs/dbraw/zinc/63/37/59/441633759.db2.gz AJJRSVFSQMKSHG-AWEZNQCLSA-N 1 0 348.403 1.233 20 5 EDBDRO CCC[N@@H+]1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000114190360 441640559 /nfs/dbraw/zinc/64/05/59/441640559.db2.gz JDRXZNYWHVXWIY-UHFFFAOYSA-N 1 0 346.431 1.902 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000042055550 441699693 /nfs/dbraw/zinc/69/96/93/441699693.db2.gz ZINWLBAJAMLWKV-ZIAGYGMSSA-N 1 0 346.387 1.585 20 5 EDBDRO COCCC[N@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000173429964 441747088 /nfs/dbraw/zinc/74/70/88/441747088.db2.gz CKCKOJXLANWXGE-UHFFFAOYSA-N 1 0 345.421 1.150 20 5 EDBDRO CN(CCC[NH3+])C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000158763429 441762621 /nfs/dbraw/zinc/76/26/21/441762621.db2.gz HUWRHEZXVGGVSB-UHFFFAOYSA-N 1 0 335.282 1.957 20 5 EDBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159175733 441792819 /nfs/dbraw/zinc/79/28/19/441792819.db2.gz VSPADASJOTWHNN-OKILXGFUSA-N 1 0 341.371 1.747 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000094124470 441906650 /nfs/dbraw/zinc/90/66/50/441906650.db2.gz AVLWADGQESKQAN-AWEZNQCLSA-N 1 0 348.447 1.886 20 5 EDBDRO CCC(CC)C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000123264518 441881564 /nfs/dbraw/zinc/88/15/64/441881564.db2.gz RJGMBKWTPZTMPP-UHFFFAOYSA-N 1 0 329.422 1.899 20 5 EDBDRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174857059 441975299 /nfs/dbraw/zinc/97/52/99/441975299.db2.gz YBQXDGMELAEPHA-LLVKDONJSA-N 1 0 327.385 1.636 20 5 EDBDRO C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[NH+]1CCCC1 ZINC000078484622 441935619 /nfs/dbraw/zinc/93/56/19/441935619.db2.gz GPLQMVNQEYXWOU-LLVKDONJSA-N 1 0 335.360 1.580 20 5 EDBDRO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000125173279 441992697 /nfs/dbraw/zinc/99/26/97/441992697.db2.gz MEYNBRLDURUWKT-UWVGGRQHSA-N 1 0 333.797 1.796 20 5 EDBDRO COc1cc(C(=O)Nc2ccn(CC[NH+](C)C)n2)ccc1[N+](=O)[O-] ZINC000119969645 441985509 /nfs/dbraw/zinc/98/55/09/441985509.db2.gz OFSKVGSNFLYKKP-UHFFFAOYSA-N 1 0 333.348 1.614 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000151095212 442005329 /nfs/dbraw/zinc/00/53/29/442005329.db2.gz ONKLPJLLPMTJMY-KRWDZBQOSA-N 1 0 347.415 1.897 20 5 EDBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000175360150 442048890 /nfs/dbraw/zinc/04/88/90/442048890.db2.gz DWFCNCXLEWFMAW-UHFFFAOYSA-N 1 0 345.421 1.614 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000163028854 442139949 /nfs/dbraw/zinc/13/99/49/442139949.db2.gz OZNODOQFDLUOGM-NEPJUHHUSA-N 1 0 337.376 1.947 20 5 EDBDRO Cc1nn(Cc2ccc(C(=O)N[C@H]3CC[NH2+]C3)cc2)c(C)c1[N+](=O)[O-] ZINC000126783338 442143340 /nfs/dbraw/zinc/14/33/40/442143340.db2.gz QZZWHXIEDIMTBM-HNNXBMFYSA-N 1 0 343.387 1.548 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000121144233 442182457 /nfs/dbraw/zinc/18/24/57/442182457.db2.gz GEZUVDILIACYIH-HZPDHXFCSA-N 1 0 348.403 1.247 20 5 EDBDRO CCC(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000130620426 442351580 /nfs/dbraw/zinc/35/15/80/442351580.db2.gz GDPMTEZYRHOMRL-CYBMUJFWSA-N 1 0 348.403 1.914 20 5 EDBDRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000131106749 442364613 /nfs/dbraw/zinc/36/46/13/442364613.db2.gz MQOKWKMVGGFGHN-KBPBESRZSA-N 1 0 346.387 1.118 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000155119756 442376610 /nfs/dbraw/zinc/37/66/10/442376610.db2.gz GSOJQZKLSSXMNH-KBPBESRZSA-N 1 0 333.388 1.916 20 5 EDBDRO CC(C)[N@H+](C)CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000130768088 442355774 /nfs/dbraw/zinc/35/57/74/442355774.db2.gz MUHUBJZLPRANPF-UHFFFAOYSA-N 1 0 331.376 1.851 20 5 EDBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](CO)C(C)(C)C ZINC000134372343 442474785 /nfs/dbraw/zinc/47/47/85/442474785.db2.gz YYLONJXBNPMYSA-OAHLLOKOSA-N 1 0 335.404 1.823 20 5 EDBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000178900683 442520386 /nfs/dbraw/zinc/52/03/86/442520386.db2.gz ZPLOSJRYXVZVGA-AWEZNQCLSA-N 1 0 327.406 1.499 20 5 EDBDRO CCN1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180415372 442598706 /nfs/dbraw/zinc/59/87/06/442598706.db2.gz SUQHUGOBJHIKDT-KBPBESRZSA-N 1 0 334.420 1.798 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000186868107 442623101 /nfs/dbraw/zinc/62/31/01/442623101.db2.gz XGVPARRIUVHVPK-FZMZJTMJSA-N 1 0 337.376 1.635 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181299152 442689140 /nfs/dbraw/zinc/68/91/40/442689140.db2.gz MADZYKMMGHCBJO-RYUDHWBXSA-N 1 0 335.360 1.926 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188278661 442732617 /nfs/dbraw/zinc/73/26/17/442732617.db2.gz HCPHCWJJVDTTOZ-UHFFFAOYSA-N 1 0 349.778 1.889 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](CCO)C1CCCCC1 ZINC000182228137 442747889 /nfs/dbraw/zinc/74/78/89/442747889.db2.gz WYCJLYCOVQIJDY-HNNXBMFYSA-N 1 0 338.404 1.962 20 5 EDBDRO C[N@H+]1C[C@H]2CN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@H]2C1 ZINC000193655393 442764572 /nfs/dbraw/zinc/76/45/72/442764572.db2.gz ASMATBLOQXXEGE-TXEJJXNPSA-N 1 0 336.367 1.556 20 5 EDBDRO C[C@H]([NH2+]CC(=O)NCCCN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000180420637 318468323 /nfs/dbraw/zinc/46/83/23/318468323.db2.gz GHBFNPPCTJOMOZ-ZDUSSCGKSA-N 1 0 348.403 1.374 20 5 EDBDRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194158942 442854253 /nfs/dbraw/zinc/85/42/53/442854253.db2.gz NMUCDMHOUBCPES-GFCCVEGCSA-N 1 0 327.406 1.748 20 5 EDBDRO C[C@H](CO)[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H](C)O ZINC000248934066 442938885 /nfs/dbraw/zinc/93/88/85/442938885.db2.gz MWMMKVVMDXVHLD-OLZOCXBDSA-N 1 0 349.387 1.856 20 5 EDBDRO C[C@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000268303722 442939316 /nfs/dbraw/zinc/93/93/16/442939316.db2.gz XPRMJJHYIYOYOX-ONGXEEELSA-N 1 0 331.369 1.305 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NC[C@H]2CCC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC000194739580 442946043 /nfs/dbraw/zinc/94/60/43/442946043.db2.gz IVXTUSJIKLYRTC-CYBMUJFWSA-N 1 0 335.360 1.596 20 5 EDBDRO CC(C)[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])c(C3CC3)n2)CC1 ZINC000195051964 442980268 /nfs/dbraw/zinc/98/02/68/442980268.db2.gz YRTXBDUXMRXIEG-UHFFFAOYSA-N 1 0 335.408 1.658 20 5 EDBDRO CCC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000266044536 442998109 /nfs/dbraw/zinc/99/81/09/442998109.db2.gz WYISWBCIGAQSSZ-CQSZACIVSA-N 1 0 326.393 1.817 20 5 EDBDRO CN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268528994 443022678 /nfs/dbraw/zinc/02/26/78/443022678.db2.gz HRQFVWXWYQFTEB-INIZCTEOSA-N 1 0 329.404 1.998 20 5 EDBDRO C[NH+](C)CC(=O)N1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000296494502 318701493 /nfs/dbraw/zinc/70/14/93/318701493.db2.gz LEIPJVDOBBQDHU-UHFFFAOYSA-N 1 0 343.387 1.353 20 5 EDBDRO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000266242242 443071258 /nfs/dbraw/zinc/07/12/58/443071258.db2.gz WGCXCKZDROIRNK-CQSZACIVSA-N 1 0 327.406 1.451 20 5 EDBDRO NC(=O)c1cc([C@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000266272212 443081705 /nfs/dbraw/zinc/08/17/05/443081705.db2.gz ZPGDZVJQINAMOE-NSHDSACASA-N 1 0 329.360 1.796 20 5 EDBDRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000184827447 443082317 /nfs/dbraw/zinc/08/23/17/443082317.db2.gz MPHBBLBABFIJMG-OLZOCXBDSA-N 1 0 345.359 1.779 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000268810144 443115716 /nfs/dbraw/zinc/11/57/16/443115716.db2.gz RBLKTGDCTVQSER-GFCCVEGCSA-N 1 0 327.406 1.618 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000268824546 443119642 /nfs/dbraw/zinc/11/96/42/443119642.db2.gz UUSQOMNACKDVLK-LBPRGKRZSA-N 1 0 327.406 1.618 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](CCO)c1ccco1 ZINC000185065270 443128881 /nfs/dbraw/zinc/12/88/81/443128881.db2.gz DULPJTNNFQLTKC-CHWSQXEVSA-N 1 0 336.344 1.641 20 5 EDBDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000185239265 443167915 /nfs/dbraw/zinc/16/79/15/443167915.db2.gz NWWKARYUYIPSNX-UHFFFAOYSA-N 1 0 341.433 1.493 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261907644 443173276 /nfs/dbraw/zinc/17/32/76/443173276.db2.gz PQTTZMFIQTWNBB-YNEHKIRRSA-N 1 0 339.417 1.651 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000266582141 443175278 /nfs/dbraw/zinc/17/52/78/443175278.db2.gz XFJYSGYUIKHSTM-UHFFFAOYSA-N 1 0 338.408 1.705 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c1C ZINC000262045996 443181067 /nfs/dbraw/zinc/18/10/67/443181067.db2.gz CJSILOYVBQQIJL-GHMZBOCLSA-N 1 0 327.406 1.583 20 5 EDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000238026878 443192864 /nfs/dbraw/zinc/19/28/64/443192864.db2.gz WNHBMESWDQEOHI-UHFFFAOYSA-N 1 0 330.348 1.041 20 5 EDBDRO CC[NH2+]CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000236951068 443153405 /nfs/dbraw/zinc/15/34/05/443153405.db2.gz XLOMPSAHINKPJR-OAHLLOKOSA-N 1 0 348.403 1.234 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000266538137 443161217 /nfs/dbraw/zinc/16/12/17/443161217.db2.gz OXVJACBGBGBUQT-DOTOQJQBSA-N 1 0 330.388 1.717 20 5 EDBDRO COC(=O)[C@H]1CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000266538009 443161516 /nfs/dbraw/zinc/16/15/16/443161516.db2.gz OSPIPAWIIZCAEA-LBPRGKRZSA-N 1 0 338.360 1.867 20 5 EDBDRO CCCC[C@H](C[NH3+])NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269183978 443225847 /nfs/dbraw/zinc/22/58/47/443225847.db2.gz CLKBRGZQGZQMQE-CYBMUJFWSA-N 1 0 336.392 1.348 20 5 EDBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000185627092 443229586 /nfs/dbraw/zinc/22/95/86/443229586.db2.gz YHGUZARJFJJNID-CQSZACIVSA-N 1 0 349.435 1.420 20 5 EDBDRO CCCNC(=O)CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000411372516 319180020 /nfs/dbraw/zinc/18/00/20/319180020.db2.gz DIIQFGTZZHLXEE-CYBMUJFWSA-N 1 0 335.408 1.782 20 5 EDBDRO COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+](C)C1 ZINC000411899399 319211459 /nfs/dbraw/zinc/21/14/59/319211459.db2.gz BYAILXPWPOUIJP-LBPRGKRZSA-N 1 0 325.340 1.271 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000415853013 319377890 /nfs/dbraw/zinc/37/78/90/319377890.db2.gz SGRNNLXMMNBTBN-CMPLNLGQSA-N 1 0 334.376 1.285 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000246150563 443273422 /nfs/dbraw/zinc/27/34/22/443273422.db2.gz KYZSLXUYQUAWLZ-DGCLKSJQSA-N 1 0 341.433 1.864 20 5 EDBDRO C[NH+]1CCC(C)(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000272470129 443329547 /nfs/dbraw/zinc/32/95/47/443329547.db2.gz MVYDBLBMGYGCBS-UHFFFAOYSA-N 1 0 342.421 1.386 20 5 EDBDRO Cc1c(CC(=O)NC[C@]2([NH+](C)C)CCSC2)cccc1[N+](=O)[O-] ZINC000269638172 443374182 /nfs/dbraw/zinc/37/41/82/443374182.db2.gz WSKIFRFHPCWCEN-MRXNPFEDSA-N 1 0 337.445 1.999 20 5 EDBDRO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000267228259 443386122 /nfs/dbraw/zinc/38/61/22/443386122.db2.gz REBMVNSXBYNQBJ-LLVKDONJSA-N 1 0 325.365 1.353 20 5 EDBDRO Cc1n[nH]c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000269669578 443388105 /nfs/dbraw/zinc/38/81/05/443388105.db2.gz JZQXJZXXMXPACP-AAEUAGOBSA-N 1 0 333.392 1.715 20 5 EDBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000264810201 443434938 /nfs/dbraw/zinc/43/49/38/443434938.db2.gz ZUROQZVBJLWMCS-AWEZNQCLSA-N 1 0 347.419 1.145 20 5 EDBDRO COc1ccc(OCC[NH+]2CCC(NC(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000267444909 443460130 /nfs/dbraw/zinc/46/01/30/443460130.db2.gz JTTCRWPKUPDKLJ-UHFFFAOYSA-N 1 0 338.364 1.115 20 5 EDBDRO [NH3+][C@H]1CCCCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423035105 319748314 /nfs/dbraw/zinc/74/83/14/319748314.db2.gz IVTJWAIKTXIYAC-GJZGRUSLSA-N 1 0 341.433 1.618 20 5 EDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000423503211 319779553 /nfs/dbraw/zinc/77/95/53/319779553.db2.gz FSZTXJYGEQZMNO-CQSZACIVSA-N 1 0 348.403 1.234 20 5 EDBDRO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000423672460 319800184 /nfs/dbraw/zinc/80/01/84/319800184.db2.gz OEVNVNQTFPUFBF-XCBNKYQSSA-N 1 0 328.166 1.919 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)Cn2cccn2)c([N+](=O)[O-])c1 ZINC000265108164 443535616 /nfs/dbraw/zinc/53/56/16/443535616.db2.gz YXBZZGWVZXEUGW-LLVKDONJSA-N 1 0 333.348 1.417 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)NCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000267733626 443558686 /nfs/dbraw/zinc/55/86/86/443558686.db2.gz ZOFSMHMRPNWREQ-UHFFFAOYSA-N 1 0 347.824 1.929 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272264346 443573090 /nfs/dbraw/zinc/57/30/90/443573090.db2.gz BARKGLHAKFUWIK-NOZJJQNGSA-N 1 0 347.400 1.766 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272190624 443552670 /nfs/dbraw/zinc/55/26/70/443552670.db2.gz FHDWMJYWCADSTD-UHFFFAOYSA-N 1 0 339.348 1.022 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1[NH3+] ZINC000429130026 319920727 /nfs/dbraw/zinc/92/07/27/319920727.db2.gz BRUVIDYXWSEAGA-FZMZJTMJSA-N 1 0 329.360 1.590 20 5 EDBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000444258967 320122715 /nfs/dbraw/zinc/12/27/15/320122715.db2.gz LHJWGQRBJOYEMD-GFCCVEGCSA-N 1 0 329.360 1.652 20 5 EDBDRO C[C@H](O)C[N@H+](C)C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000444367456 320128155 /nfs/dbraw/zinc/12/81/55/320128155.db2.gz QYIDWKQUQIYJSQ-NSHDSACASA-N 1 0 339.367 1.651 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448876261 320164157 /nfs/dbraw/zinc/16/41/57/320164157.db2.gz XFQGPIXACLZOQA-UHFFFAOYSA-N 1 0 347.375 1.089 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000449745808 320203956 /nfs/dbraw/zinc/20/39/56/320203956.db2.gz OYSVZZRXPHRQDK-GMXVVIOVSA-N 1 0 334.376 1.556 20 5 EDBDRO CNc1nc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000456052607 320305693 /nfs/dbraw/zinc/30/56/93/320305693.db2.gz ZJFDGZCYBOXQDC-UHFFFAOYSA-N 1 0 335.408 1.883 20 5 EDBDRO COc1ncccc1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459517885 320348395 /nfs/dbraw/zinc/34/83/95/320348395.db2.gz VVPFQNKTKKUFSF-UHFFFAOYSA-N 1 0 329.360 1.716 20 5 EDBDRO O=C(NCC[N@H+]1CC=CCC1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000280257633 443684591 /nfs/dbraw/zinc/68/45/91/443684591.db2.gz OFMJGEMDZAZJJT-INIZCTEOSA-N 1 0 344.371 1.466 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286313396 443688750 /nfs/dbraw/zinc/68/87/50/443688750.db2.gz UCEPYURPHQZGBY-PBWFPOADSA-N 1 0 335.408 1.573 20 5 EDBDRO CC(=O)N(C[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000276430237 443703529 /nfs/dbraw/zinc/70/35/29/443703529.db2.gz LUTWQJQRFZQMSF-HNNXBMFYSA-N 1 0 348.403 1.232 20 5 EDBDRO CC(C)[N@H+](CCOCCO)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000283762065 443710351 /nfs/dbraw/zinc/71/03/51/443710351.db2.gz NECYQQJAJYSHFP-UHFFFAOYSA-N 1 0 340.376 1.681 20 5 EDBDRO C[C@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)N1CC[NH+](C)CC1 ZINC000520803773 320480354 /nfs/dbraw/zinc/48/03/54/320480354.db2.gz OKMPHNWJAJDSSQ-CYBMUJFWSA-N 1 0 333.436 1.916 20 5 EDBDRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298314222 443744541 /nfs/dbraw/zinc/74/45/41/443744541.db2.gz YTJZQKQVSIULJB-UHFFFAOYSA-N 1 0 328.756 1.255 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1(CO)CCC1 ZINC000298534519 443793901 /nfs/dbraw/zinc/79/39/01/443793901.db2.gz WTYPBFNJUXBFRE-UHFFFAOYSA-N 1 0 337.376 1.779 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000287616960 443750537 /nfs/dbraw/zinc/75/05/37/443750537.db2.gz YZJWRJSGFOTSDR-JTQLQIEISA-N 1 0 336.421 1.647 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000531154438 320650271 /nfs/dbraw/zinc/65/02/71/320650271.db2.gz KNHHEUGDLZSNKT-QWRGUYRKSA-N 1 0 328.394 1.141 20 5 EDBDRO CC(C)n1cc([C@@]2(O)CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000285090409 443852833 /nfs/dbraw/zinc/85/28/33/443852833.db2.gz YNHNXDPHPIYOLM-QGZVFWFLSA-N 1 0 345.403 1.903 20 5 EDBDRO CNC(=O)[C@]1(C)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000281263215 443863545 /nfs/dbraw/zinc/86/35/45/443863545.db2.gz VLUDAYSXNSNEJH-QGZVFWFLSA-N 1 0 348.403 1.690 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000299050212 443938369 /nfs/dbraw/zinc/93/83/69/443938369.db2.gz GUBJHHLMGJEAFU-ZIAGYGMSSA-N 1 0 325.390 1.500 20 5 EDBDRO C[N@@H+]1CCC[C@@]2(CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000293093765 443922705 /nfs/dbraw/zinc/92/27/05/443922705.db2.gz XGNLHINVCPQUSS-FUHWJXTLSA-N 1 0 349.431 1.752 20 5 EDBDRO COc1ccc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000288578663 443924498 /nfs/dbraw/zinc/92/44/98/443924498.db2.gz RKJWIAKKOZTURB-ZDUSSCGKSA-N 1 0 337.376 1.180 20 5 EDBDRO Cc1nn(C)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000299002073 443925666 /nfs/dbraw/zinc/92/56/66/443925666.db2.gz CKCKFSJHADFVRV-AWEZNQCLSA-N 1 0 343.387 1.641 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c1F ZINC000285300901 443933629 /nfs/dbraw/zinc/93/36/29/443933629.db2.gz PMTWFRVHHHESOS-KBPBESRZSA-N 1 0 337.351 1.587 20 5 EDBDRO COCCOCC[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000288790679 443983262 /nfs/dbraw/zinc/98/32/62/443983262.db2.gz KBXSBNDYYZAGNW-UHFFFAOYSA-N 1 0 328.365 1.577 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000299269047 444002141 /nfs/dbraw/zinc/00/21/41/444002141.db2.gz MAMRZMUDNJTDLR-CYBMUJFWSA-N 1 0 348.403 1.703 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000299323394 444017833 /nfs/dbraw/zinc/01/78/33/444017833.db2.gz NKDZUEQWYXBFOW-WBMJQRKESA-N 1 0 337.424 1.726 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000299539005 444074101 /nfs/dbraw/zinc/07/41/01/444074101.db2.gz UBEDWAMZBXRVSM-QWHCGFSZSA-N 1 0 337.424 1.726 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000285709784 444080678 /nfs/dbraw/zinc/08/06/78/444080678.db2.gz JESDDQOPKZCSIW-UONOGXRCSA-N 1 0 339.779 1.793 20 5 EDBDRO Cc1cc(OCC(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000285714427 444082531 /nfs/dbraw/zinc/08/25/31/444082531.db2.gz JJPNJHINONABGM-CVEARBPZSA-N 1 0 349.387 1.214 20 5 EDBDRO Cc1cnc(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])nc1 ZINC000562991532 321086080 /nfs/dbraw/zinc/08/60/80/321086080.db2.gz PZWBDURDZBEKPT-ZDUSSCGKSA-N 1 0 332.360 1.265 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)c1 ZINC000564864705 321152882 /nfs/dbraw/zinc/15/28/82/321152882.db2.gz SJJOTXKTEKDJDX-GJZGRUSLSA-N 1 0 338.408 1.624 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)Cc2ccccc2C1 ZINC000285731638 444089021 /nfs/dbraw/zinc/08/90/21/444089021.db2.gz PXWPBZHOBALTAU-UHFFFAOYSA-N 1 0 329.360 1.147 20 5 EDBDRO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC[C@@H]2CC[NH2+]C2)C1=O ZINC000565769935 321200361 /nfs/dbraw/zinc/20/03/61/321200361.db2.gz YRAYCZFEJJIORK-MEDUHNTESA-N 1 0 332.360 1.361 20 5 EDBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCCCC1 ZINC000566107060 321215554 /nfs/dbraw/zinc/21/55/54/321215554.db2.gz DUFIFRLNNJFNQS-CQSZACIVSA-N 1 0 325.413 1.006 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000566213114 321222753 /nfs/dbraw/zinc/22/27/53/321222753.db2.gz YKHFTTHIDNEVOK-NXEZZACHSA-N 1 0 330.344 1.706 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000567546143 321245455 /nfs/dbraw/zinc/24/54/55/321245455.db2.gz CILBJSXSTMNESU-BETUJISGSA-N 1 0 338.360 1.756 20 5 EDBDRO Cc1cc(C)n(CCC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000568787926 321307080 /nfs/dbraw/zinc/30/70/80/321307080.db2.gz TYMMENXXDGZCSJ-HNNXBMFYSA-N 1 0 348.403 1.828 20 5 EDBDRO C[C@@H]1C[C@H]([NH3+])CCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000571772946 321399513 /nfs/dbraw/zinc/39/95/13/321399513.db2.gz OASMGNDQEYKTNB-VXGBXAGGSA-N 1 0 327.406 1.180 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)[C@@H]2C1 ZINC000285885747 444141338 /nfs/dbraw/zinc/14/13/38/444141338.db2.gz SBHZMBBQMNSQER-UKRRQHHQSA-N 1 0 345.355 1.886 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000301258031 444158736 /nfs/dbraw/zinc/15/87/36/444158736.db2.gz ARDAYSRGLZUTMM-YPMHNXCESA-N 1 0 343.391 1.685 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000574462345 321485007 /nfs/dbraw/zinc/48/50/07/321485007.db2.gz GGUCMPMWTGVRGY-GWCFXTLKSA-N 1 0 335.360 1.723 20 5 EDBDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cn1 ZINC000302441893 444213599 /nfs/dbraw/zinc/21/35/99/444213599.db2.gz NHBPWIBJQJEEHR-KRWDZBQOSA-N 1 0 343.387 1.458 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)c2nc3ccccn3c(=O)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000301452930 444172424 /nfs/dbraw/zinc/17/24/24/444172424.db2.gz XZDSBZFFJKQGSN-STQMWFEESA-N 1 0 345.403 1.769 20 5 EDBDRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000331027302 444364661 /nfs/dbraw/zinc/36/46/61/444364661.db2.gz CBQWWFDOSWBHSG-CQSZACIVSA-N 1 0 341.433 1.887 20 5 EDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000319872411 444326304 /nfs/dbraw/zinc/32/63/04/444326304.db2.gz WNRADBVDEUVVBI-MWLCHTKSSA-N 1 0 331.369 1.447 20 5 EDBDRO CNS(=O)(=O)c1ccc(N2CCC(CC[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000320443878 444330194 /nfs/dbraw/zinc/33/01/94/444330194.db2.gz MOZROCSGCTWWTI-UHFFFAOYSA-N 1 0 342.421 1.068 20 5 EDBDRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000298082559 444409389 /nfs/dbraw/zinc/40/93/89/444409389.db2.gz LSUYLAZZYOPHEF-ZDUSSCGKSA-N 1 0 342.355 1.700 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000298120955 444421706 /nfs/dbraw/zinc/42/17/06/444421706.db2.gz MVRZIYGPDKCSBM-UHFFFAOYSA-N 1 0 334.376 1.361 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cccc2c1CC[NH2+]C2 ZINC000579702812 321962871 /nfs/dbraw/zinc/96/28/71/321962871.db2.gz IWOUPFNNHDRFJM-UHFFFAOYSA-N 1 0 328.328 1.041 20 5 EDBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[NH2+]CC1 ZINC000580230418 322026004 /nfs/dbraw/zinc/02/60/04/322026004.db2.gz LILACBZVAPWIBW-UHFFFAOYSA-N 1 0 332.404 1.633 20 5 EDBDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000580552871 322065981 /nfs/dbraw/zinc/06/59/81/322065981.db2.gz DQNCLYQBQPBKNK-IPYPFGDCSA-N 1 0 335.404 1.549 20 5 EDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000580552872 322066134 /nfs/dbraw/zinc/06/61/34/322066134.db2.gz DQNCLYQBQPBKNK-NFAWXSAZSA-N 1 0 335.404 1.549 20 5 EDBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000580641824 322076967 /nfs/dbraw/zinc/07/69/67/322076967.db2.gz VGGGQANWEXFXJC-XQQFMLRXSA-N 1 0 338.360 1.266 20 5 EDBDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000580929623 322112619 /nfs/dbraw/zinc/11/26/19/322112619.db2.gz MIJMGAVGVZZDII-UHFFFAOYSA-N 1 0 343.387 1.755 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000581429361 322176573 /nfs/dbraw/zinc/17/65/73/322176573.db2.gz ITXPHDWUADDDAG-QWRGUYRKSA-N 1 0 327.406 1.515 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000581563376 322193401 /nfs/dbraw/zinc/19/34/01/322193401.db2.gz GULSZJOXKUQFNO-LBPRGKRZSA-N 1 0 342.417 1.494 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[N@@H+]1C ZINC000332661552 444525552 /nfs/dbraw/zinc/52/55/52/444525552.db2.gz OAVRBFVVNZQUNJ-STQMWFEESA-N 1 0 343.387 1.993 20 5 EDBDRO C[C@@H](C[NH+](C)C)Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000343809389 444605026 /nfs/dbraw/zinc/60/50/26/444605026.db2.gz RIHLWPQCTCEWAV-JTQLQIEISA-N 1 0 330.410 1.207 20 5 EDBDRO CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(C)C1=O ZINC000338328092 444635641 /nfs/dbraw/zinc/63/56/41/444635641.db2.gz IRZXMUAEYTUPHY-CQSZACIVSA-N 1 0 335.360 1.443 20 5 EDBDRO COc1ccc(S(=O)(=O)NC(C)(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000336864508 444810405 /nfs/dbraw/zinc/81/04/05/444810405.db2.gz GNFFMUSZTHBIFE-UHFFFAOYSA-N 1 0 331.394 1.399 20 5 EDBDRO Cc1cnc(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1C ZINC000341347107 444788768 /nfs/dbraw/zinc/78/87/68/444788768.db2.gz JWRPERSCWYDDJX-UHFFFAOYSA-N 1 0 338.389 1.200 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000341579433 444905241 /nfs/dbraw/zinc/90/52/41/444905241.db2.gz VMVVHXBHWYVVKP-HNNXBMFYSA-N 1 0 337.376 1.026 20 5 EDBDRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000337408252 445066548 /nfs/dbraw/zinc/06/65/48/445066548.db2.gz KHTMEQJHYHQULW-VXGBXAGGSA-N 1 0 335.360 1.807 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000341981036 445106913 /nfs/dbraw/zinc/10/69/13/445106913.db2.gz DPBQYBCPYJGYKD-WBVHZDCISA-N 1 0 336.388 1.837 20 5 EDBDRO O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN[C@H](c2ccncc2)C1 ZINC000337665939 445193224 /nfs/dbraw/zinc/19/32/24/445193224.db2.gz SLMJVKUASFIZRZ-HNNXBMFYSA-N 1 0 328.328 1.482 20 5 EDBDRO CN1CC[NH+](CC2(C)CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)CC1 ZINC000330860732 445170893 /nfs/dbraw/zinc/17/08/93/445170893.db2.gz POQZYIVZBXOTAQ-UHFFFAOYSA-N 1 0 349.435 1.413 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000342109180 445175694 /nfs/dbraw/zinc/17/56/94/445175694.db2.gz HJDKDCMWRVHTBY-CQSZACIVSA-N 1 0 348.403 1.607 20 5 EDBDRO CCOC(=O)[C@H](C)N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000343625185 445268035 /nfs/dbraw/zinc/26/80/35/445268035.db2.gz YEHCDQZYQHRZJA-AAEUAGOBSA-N 1 0 326.349 1.218 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)C2CC[NH+](C)CC2)c1 ZINC000351789732 445322410 /nfs/dbraw/zinc/32/24/10/445322410.db2.gz GAZZIIXAMMUWHA-UHFFFAOYSA-N 1 0 341.433 1.926 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)C1CC1 ZINC000351846361 445341636 /nfs/dbraw/zinc/34/16/36/445341636.db2.gz AOUIBVZFEPBOFA-UHFFFAOYSA-N 1 0 341.433 1.974 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000357072087 445406972 /nfs/dbraw/zinc/40/69/72/445406972.db2.gz DFWIKFQFYWEGOC-STQMWFEESA-N 1 0 348.403 1.473 20 5 EDBDRO CN(C(=O)CN1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000357093877 445425055 /nfs/dbraw/zinc/42/50/55/445425055.db2.gz ZELOICYTXCIKCT-HNNXBMFYSA-N 1 0 346.431 1.879 20 5 EDBDRO CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000352062569 445466836 /nfs/dbraw/zinc/46/68/36/445466836.db2.gz QXBPENHDLWKNEZ-UHFFFAOYSA-N 1 0 345.421 1.232 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362721521 445518116 /nfs/dbraw/zinc/51/81/16/445518116.db2.gz GWVJAKTTWAEEDW-UHFFFAOYSA-N 1 0 345.346 1.452 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000359934595 445494640 /nfs/dbraw/zinc/49/46/40/445494640.db2.gz IPMFUSKRHYCSHO-HNNXBMFYSA-N 1 0 349.435 1.906 20 5 EDBDRO C[NH+]1CCC(CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000362815070 445562968 /nfs/dbraw/zinc/56/29/68/445562968.db2.gz SOEWUFCZENSULT-AWEZNQCLSA-N 1 0 347.419 1.735 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000353646715 445690737 /nfs/dbraw/zinc/69/07/37/445690737.db2.gz FIGXHOYEAKSIBT-HZPDHXFCSA-N 1 0 347.415 1.804 20 5 EDBDRO C[NH+](C)CCN1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000363485130 445825698 /nfs/dbraw/zinc/82/56/98/445825698.db2.gz KURCRPLIVOTPDN-RMKNXTFCSA-N 1 0 346.431 1.704 20 5 EDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3CCn4c(C)[nH+]cc4C3)n2)n1C ZINC000350440966 445828980 /nfs/dbraw/zinc/82/89/80/445828980.db2.gz SUPKDDICMIVLBK-JTQLQIEISA-N 1 0 343.347 1.922 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000356542474 445851138 /nfs/dbraw/zinc/85/11/38/445851138.db2.gz NZWNNNMJDSXJSK-KRWDZBQOSA-N 1 0 347.415 1.851 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363660915 445865816 /nfs/dbraw/zinc/86/58/16/445865816.db2.gz OWLDCTZVFPWBFC-MRXNPFEDSA-N 1 0 346.431 1.755 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@H](C)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000361660578 445865844 /nfs/dbraw/zinc/86/58/44/445865844.db2.gz LCRGLBNSSJTVJZ-WCQYABFASA-N 1 0 338.360 1.207 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000361659227 445866404 /nfs/dbraw/zinc/86/64/04/445866404.db2.gz XXSBCYMZTRIKNN-VXGBXAGGSA-N 1 0 334.332 1.860 20 5 EDBDRO C[NH+](C)CCN1CCCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000372945233 445936974 /nfs/dbraw/zinc/93/69/74/445936974.db2.gz HLOWYENHQJTIEQ-UHFFFAOYSA-N 1 0 338.437 1.378 20 5 EDBDRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000359091430 445938895 /nfs/dbraw/zinc/93/88/95/445938895.db2.gz PMDLGFQIVXCDQL-UHFFFAOYSA-N 1 0 332.360 1.549 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)C1CCC1 ZINC000369061050 445902731 /nfs/dbraw/zinc/90/27/31/445902731.db2.gz DMTNOJKLNYCRSX-CQSZACIVSA-N 1 0 333.388 1.964 20 5 EDBDRO Cc1cc(OCC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000369066610 445908562 /nfs/dbraw/zinc/90/85/62/445908562.db2.gz SGSXAAFZMWEPSP-HIFRSBDPSA-N 1 0 349.387 1.261 20 5 EDBDRO Cc1cc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)ncc1[N+](=O)[O-] ZINC000364887993 445965917 /nfs/dbraw/zinc/96/59/17/445965917.db2.gz LOSGUDRPDLIDIY-GUYCJALGSA-N 1 0 344.419 2.527 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366200975 446080446 /nfs/dbraw/zinc/08/04/46/446080446.db2.gz ZMUSSVGLIZICKP-HNNXBMFYSA-N 1 0 349.387 1.343 20 5 EDBDRO C[C@@H]1[C@H](C)N(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000356873343 446086378 /nfs/dbraw/zinc/08/63/78/446086378.db2.gz GZVQXOXYEOSYKW-NEPJUHHUSA-N 1 0 349.387 1.460 20 5 EDBDRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351594516 446190440 /nfs/dbraw/zinc/19/04/40/446190440.db2.gz CWECPCFCAORALK-UHFFFAOYSA-N 1 0 338.339 1.225 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000365314840 446142792 /nfs/dbraw/zinc/14/27/92/446142792.db2.gz DCVPFXYIERYUAF-PWSUYJOCSA-N 1 0 335.360 1.436 20 5 EDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)c1 ZINC000362216866 446267746 /nfs/dbraw/zinc/26/77/46/446267746.db2.gz GVWHTGTZCRYBEJ-KRWDZBQOSA-N 1 0 335.404 1.566 20 5 EDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000362324501 446320122 /nfs/dbraw/zinc/32/01/22/446320122.db2.gz ZPIJIAGVQITVGW-CQSZACIVSA-N 1 0 335.408 1.117 20 5 EDBDRO CCc1nnc2n1C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000365803563 446349915 /nfs/dbraw/zinc/34/99/15/446349915.db2.gz BYIOVMPOUNOAMZ-NSHDSACASA-N 1 0 346.347 1.762 20 5 EDBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1 ZINC000365824752 446358437 /nfs/dbraw/zinc/35/84/37/446358437.db2.gz ZOPCGIIBPQOLRM-OAHLLOKOSA-N 1 0 346.387 1.868 20 5 EDBDRO CCc1noc([C@@]2(O)CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000366843631 446379560 /nfs/dbraw/zinc/37/95/60/446379560.db2.gz LVKPOCOAAAIAFC-MRXNPFEDSA-N 1 0 332.360 1.676 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@](O)(C2CC2)C1 ZINC000370672221 446379766 /nfs/dbraw/zinc/37/97/66/446379766.db2.gz CJAQCEOJYOQXRO-INIZCTEOSA-N 1 0 335.360 1.389 20 5 EDBDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3N)C2)CC1 ZINC000365903356 446395438 /nfs/dbraw/zinc/39/54/38/446395438.db2.gz AOPHTKRTAYVFMN-GFCCVEGCSA-N 1 0 347.419 1.075 20 5 EDBDRO O=C(NCC[C@H]1CC[NH2+]C1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418083955 446436624 /nfs/dbraw/zinc/43/66/24/446436624.db2.gz NXPYMGYXTBZBBS-SNVBAGLBSA-N 1 0 332.364 1.270 20 5 EDBDRO CN1CC[NH2+]C[C@H]1CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000420271146 446442013 /nfs/dbraw/zinc/44/20/13/446442013.db2.gz KDXISTOFQWBPHS-AWEZNQCLSA-N 1 0 327.388 1.972 20 5 EDBDRO C[C@H]1CN(c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)C[C@H]1[NH3+] ZINC000420276325 446445270 /nfs/dbraw/zinc/44/52/70/446445270.db2.gz LYKPAMJLNWVVMN-JOYOIKCWSA-N 1 0 349.778 1.578 20 5 EDBDRO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCC[C@H]1CCC[NH2+]1 ZINC000420279291 446448423 /nfs/dbraw/zinc/44/84/23/446448423.db2.gz SIWPILOKZAGJES-SNVBAGLBSA-N 1 0 328.394 1.186 20 5 EDBDRO O=C(NCCC[NH2+]C1CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418303170 446493345 /nfs/dbraw/zinc/49/33/45/446493345.db2.gz RQBWZRLKKJGBDM-UHFFFAOYSA-N 1 0 347.419 1.569 20 5 EDBDRO O=C(N[C@H]1CCCC[NH2+]C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418373393 446519194 /nfs/dbraw/zinc/51/91/94/446519194.db2.gz UXSXOBDATJREIJ-ZDUSSCGKSA-N 1 0 334.376 1.641 20 5 EDBDRO [NH3+][C@H](CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000418499306 446567262 /nfs/dbraw/zinc/56/72/62/446567262.db2.gz NPOJRHVZIIIMCZ-OAHLLOKOSA-N 1 0 333.392 1.164 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000375042370 446537697 /nfs/dbraw/zinc/53/76/97/446537697.db2.gz SHQCEVZKVLLZLB-TZMCWYRMSA-N 1 0 339.417 1.618 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420379098 446555349 /nfs/dbraw/zinc/55/53/49/446555349.db2.gz MNNSNINTAUCIKI-HNNXBMFYSA-N 1 0 346.391 1.491 20 5 EDBDRO O=C(CC[N@H+]1CCC[C@@](F)(CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000376559584 446575952 /nfs/dbraw/zinc/57/59/52/446575952.db2.gz XOAPGSLOSNWLOU-HNNXBMFYSA-N 1 0 325.340 1.720 20 5 EDBDRO CC(C)[NH+]1CCC(NC(=O)CN2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000411528893 446586524 /nfs/dbraw/zinc/58/65/24/446586524.db2.gz HNPIKDGVUBYBAT-UHFFFAOYSA-N 1 0 346.431 1.946 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000420419546 446594111 /nfs/dbraw/zinc/59/41/11/446594111.db2.gz IWWSYQWFQALKHJ-OLZOCXBDSA-N 1 0 327.406 1.327 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000420464984 446642219 /nfs/dbraw/zinc/64/22/19/446642219.db2.gz UXJYHVMXFPIHKE-IUODEOHRSA-N 1 0 341.433 1.817 20 5 EDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000411775151 446672299 /nfs/dbraw/zinc/67/22/99/446672299.db2.gz XCDXJUWDBGPJBN-HOTGVXAUSA-N 1 0 348.403 1.328 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)NCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000420453007 446629449 /nfs/dbraw/zinc/62/94/49/446629449.db2.gz TZNOBLALPGIKKW-UHFFFAOYSA-N 1 0 347.368 1.163 20 5 EDBDRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000371243181 446711974 /nfs/dbraw/zinc/71/19/74/446711974.db2.gz SIHVAQSSLSJWEO-CQSZACIVSA-N 1 0 343.387 1.960 20 5 EDBDRO NS(=O)(=O)c1cccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000368297490 446766387 /nfs/dbraw/zinc/76/63/87/446766387.db2.gz FHUISIHXJNVWKY-QWRGUYRKSA-N 1 0 340.405 1.281 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000423952038 446794431 /nfs/dbraw/zinc/79/44/31/446794431.db2.gz MOBGARZISOJVMO-YWVKMMECSA-N 1 0 327.768 1.821 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000420775353 446811197 /nfs/dbraw/zinc/81/11/97/446811197.db2.gz ZTIKICUXCMJWDK-LLVKDONJSA-N 1 0 347.824 1.963 20 5 EDBDRO Nc1c(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000424002879 446818938 /nfs/dbraw/zinc/81/89/38/446818938.db2.gz OUISSZOPCCMTFZ-CZUORRHYSA-N 1 0 348.403 1.536 20 5 EDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc([N+](=O)[O-])cc1Br ZINC000368375057 446821921 /nfs/dbraw/zinc/82/19/21/446821921.db2.gz JFVNBLJVEHSCLL-YUMQZZPRSA-N 1 0 346.156 1.787 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)c1F ZINC000412214903 446901077 /nfs/dbraw/zinc/90/10/77/446901077.db2.gz LDQWYIGDTQLRAF-QWRGUYRKSA-N 1 0 339.367 1.836 20 5 EDBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412108885 446864919 /nfs/dbraw/zinc/86/49/19/446864919.db2.gz NZGUHZHKEOHJMB-OWCLPIDISA-N 1 0 332.404 1.060 20 5 EDBDRO O=C(NCC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000371503070 446896483 /nfs/dbraw/zinc/89/64/83/446896483.db2.gz ZALDPQNWQAWELF-IAGOWNOFSA-N 1 0 331.416 1.723 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)C[C@H]21 ZINC000371533676 446918738 /nfs/dbraw/zinc/91/87/38/446918738.db2.gz IVUKELBLPGBBJY-NOZJJQNGSA-N 1 0 347.400 1.766 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000419147684 446963641 /nfs/dbraw/zinc/96/36/41/446963641.db2.gz JGLFZHYHLHNTHH-SGMGOOAPSA-N 1 0 348.403 1.500 20 5 EDBDRO CC[C@@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000419162487 446979740 /nfs/dbraw/zinc/97/97/40/446979740.db2.gz KHHNQFZJKVWMEO-TYNCELHUSA-N 1 0 348.403 1.371 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](CCO)CC1 ZINC000421010102 446982896 /nfs/dbraw/zinc/98/28/96/446982896.db2.gz FQXORRLJWAMYKE-GJZGRUSLSA-N 1 0 338.404 1.819 20 5 EDBDRO CCOCCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421010616 446983887 /nfs/dbraw/zinc/98/38/87/446983887.db2.gz JAGKJMMIIHFMGE-UHFFFAOYSA-N 1 0 345.421 1.232 20 5 EDBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000443326310 447033676 /nfs/dbraw/zinc/03/36/76/447033676.db2.gz JYRAAHIYVVOLFZ-LNCBFAARSA-N 1 0 338.404 1.816 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000419267586 447043595 /nfs/dbraw/zinc/04/35/95/447043595.db2.gz JCFHNUKCDHOUNB-QWHCGFSZSA-N 1 0 348.403 1.196 20 5 EDBDRO CN(Cc1nccc(N)n1)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000372536132 447118388 /nfs/dbraw/zinc/11/83/88/447118388.db2.gz BOTUMPQPZARRBS-OAHLLOKOSA-N 1 0 342.403 1.673 20 5 EDBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](c3nnc[nH]3)C2)c2c(c1)COCO2 ZINC000425348906 447123495 /nfs/dbraw/zinc/12/34/95/447123495.db2.gz CUDZRJHNYTWEAE-JTQLQIEISA-N 1 0 331.332 1.569 20 5 EDBDRO CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000372570996 447150922 /nfs/dbraw/zinc/15/09/22/447150922.db2.gz LTBUWUDGRQDKDW-CYBMUJFWSA-N 1 0 343.387 1.995 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000375961347 447176418 /nfs/dbraw/zinc/17/64/18/447176418.db2.gz BCQDMZUPCMAZEV-KRWDZBQOSA-N 1 0 341.367 1.977 20 5 EDBDRO Cc1cc(NC(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000372723742 447246358 /nfs/dbraw/zinc/24/63/58/447246358.db2.gz HVANIULWTGAWKB-ZDUSSCGKSA-N 1 0 336.392 1.824 20 5 EDBDRO O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000372706141 447236288 /nfs/dbraw/zinc/23/62/88/447236288.db2.gz XCUYWZKVHGUQID-CYBMUJFWSA-N 1 0 344.375 1.537 20 5 EDBDRO CNc1nc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000456025211 447287081 /nfs/dbraw/zinc/28/70/81/447287081.db2.gz CEQVLNSXEXCCAO-MRXNPFEDSA-N 1 0 333.392 1.589 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2(N3CCOCC3)CC2)n1 ZINC000447598540 447280348 /nfs/dbraw/zinc/28/03/48/447280348.db2.gz VLEXUQMGJDEVSR-LSDHHAIUSA-N 1 0 349.435 1.729 20 5 EDBDRO O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CCC[N@H+]3CCCO)cc2N1 ZINC000450597165 447534241 /nfs/dbraw/zinc/53/42/41/447534241.db2.gz OTFULVGJFXBQAW-ZDUSSCGKSA-N 1 0 348.403 1.738 20 5 EDBDRO CN1CC[NH2+]C[C@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000394726733 447539549 /nfs/dbraw/zinc/53/95/49/447539549.db2.gz ISQVGKRTNWXJKR-VIFPVBQESA-N 1 0 330.186 1.068 20 5 EDBDRO CN1CC[NH2+]C[C@@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000394736252 447539559 /nfs/dbraw/zinc/53/95/59/447539559.db2.gz OAMMMCGSBXDDPI-SECBINFHSA-N 1 0 330.186 1.068 20 5 EDBDRO Cn1ccnc1C(=O)c1ccc(N2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000420152687 447641005 /nfs/dbraw/zinc/64/10/05/447641005.db2.gz ZFUVWNFNJUDHTQ-UHFFFAOYSA-N 1 0 329.360 1.487 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)c1 ZINC000416498439 447626539 /nfs/dbraw/zinc/62/65/39/447626539.db2.gz XHKZAFFNAOUUGJ-GFCCVEGCSA-N 1 0 327.406 1.442 20 5 EDBDRO Cn1ccnc1C(=O)c1ccc(N2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420233673 447680196 /nfs/dbraw/zinc/68/01/96/447680196.db2.gz AIKHTSYQXQAYQL-QGZVFWFLSA-N 1 0 343.387 1.734 20 5 EDBDRO CO[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000459765708 447758203 /nfs/dbraw/zinc/75/82/03/447758203.db2.gz VPQVYRVJVPMZAM-CWRNSKLLSA-N 1 0 336.388 1.882 20 5 EDBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCC[N@@H+]1CCCOCC1 ZINC000487366525 447830539 /nfs/dbraw/zinc/83/05/39/447830539.db2.gz LKEOUWAQRBVQGH-UHFFFAOYSA-N 1 0 343.330 1.254 20 5 EDBDRO CC(C)N(C)C[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000575982575 447943325 /nfs/dbraw/zinc/94/33/25/447943325.db2.gz BNCWIOSQLOTGOT-HIFRSBDPSA-N 1 0 325.409 1.653 20 5 EDBDRO COc1ccc(CC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000530767262 447953256 /nfs/dbraw/zinc/95/32/56/447953256.db2.gz LTXZMILINYRVEB-DGCLKSJQSA-N 1 0 333.388 1.887 20 5 EDBDRO CNc1nccc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000553327693 447986787 /nfs/dbraw/zinc/98/67/87/447986787.db2.gz LCSVCPYFCCCUDU-STQMWFEESA-N 1 0 349.435 2.129 20 5 EDBDRO COc1ccc(CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000525800301 448026737 /nfs/dbraw/zinc/02/67/37/448026737.db2.gz QJMLHFAXAIYSPF-KGLIPLIRSA-N 1 0 333.388 1.841 20 5 EDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000554576500 448036626 /nfs/dbraw/zinc/03/66/26/448036626.db2.gz UEOYEASHQDAWBV-NSHDSACASA-N 1 0 335.360 1.532 20 5 EDBDRO COCC[N@@H+]1CCCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000576535096 448079000 /nfs/dbraw/zinc/07/90/00/448079000.db2.gz MQWKCKJTJDEMED-AWEZNQCLSA-N 1 0 335.404 1.879 20 5 EDBDRO COC1(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000576578441 448088260 /nfs/dbraw/zinc/08/82/60/448088260.db2.gz UFNDNAOYHWRLJT-UHFFFAOYSA-N 1 0 342.417 1.917 20 5 EDBDRO C[NH2+]C[C@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000571166293 448115949 /nfs/dbraw/zinc/11/59/49/448115949.db2.gz XKGPMVNPEJFNPT-CQSZACIVSA-N 1 0 346.431 1.879 20 5 EDBDRO COc1cc(OCC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000571394418 448144674 /nfs/dbraw/zinc/14/46/74/448144674.db2.gz SVXTZSVWMNJDMO-SMDDNHRTSA-N 1 0 335.360 1.145 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000571411222 448149159 /nfs/dbraw/zinc/14/91/59/448149159.db2.gz VZJZIGHYLMGCTI-NWDGAFQWSA-N 1 0 327.406 1.588 20 5 EDBDRO CNc1nccc(C(=O)NCc2cccc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000561135425 448231474 /nfs/dbraw/zinc/23/14/74/448231474.db2.gz FAEIDAVJUDEFBH-UHFFFAOYSA-N 1 0 343.387 2.023 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[NH2+]CCO2)cc1SC ZINC000577215705 448237562 /nfs/dbraw/zinc/23/75/62/448237562.db2.gz IWWUBVDQXWKPEL-SECBINFHSA-N 1 0 341.389 1.044 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@H]3OCC[NH2+][C@H]3C2)cccc1[N+](=O)[O-] ZINC000515174678 448270401 /nfs/dbraw/zinc/27/04/01/448270401.db2.gz NHTQYRCTTGZKSK-NOLJZWGESA-N 1 0 348.403 1.293 20 5 EDBDRO CC[C@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@@H]1[NH3+] ZINC000591304432 448315963 /nfs/dbraw/zinc/31/59/63/448315963.db2.gz YUCIXKWDQUFXEI-AAEUAGOBSA-N 1 0 334.376 1.428 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000591306226 448316762 /nfs/dbraw/zinc/31/67/62/448316762.db2.gz FPQMJWAKDIWVKU-JQWIXIFHSA-N 1 0 338.339 1.000 20 5 EDBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000564585787 448333141 /nfs/dbraw/zinc/33/31/41/448333141.db2.gz NXNKHFQOBDDBKO-UHFFFAOYSA-N 1 0 335.408 1.910 20 5 EDBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000565888706 448382946 /nfs/dbraw/zinc/38/29/46/448382946.db2.gz BZPGTEGTQDVEMY-CHWSQXEVSA-N 1 0 329.360 2.312 20 5 EDBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000565888709 448382998 /nfs/dbraw/zinc/38/29/98/448382998.db2.gz BZPGTEGTQDVEMY-QWHCGFSZSA-N 1 0 329.360 2.312 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000493379636 448389183 /nfs/dbraw/zinc/38/91/83/448389183.db2.gz CRBUCCZUEHEALE-GDBMZVCRSA-N 1 0 337.376 1.683 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000591562372 448391013 /nfs/dbraw/zinc/39/10/13/448391013.db2.gz WLCYODFXVBZFIW-UHFFFAOYSA-N 1 0 339.417 1.728 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000577884495 448412025 /nfs/dbraw/zinc/41/20/25/448412025.db2.gz OOHZBDHIXZBXID-UHFFFAOYSA-N 1 0 331.376 1.625 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccnc(NC)c2[N+](=O)[O-])C[C@@H]1C ZINC000566444172 448471967 /nfs/dbraw/zinc/47/19/67/448471967.db2.gz BHYTVBHBZYWTMM-RYUDHWBXSA-N 1 0 335.408 1.976 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000591734442 448476086 /nfs/dbraw/zinc/47/60/86/448476086.db2.gz YMXQMAQOZCSYJE-BRWVUGGUSA-N 1 0 346.387 1.662 20 5 EDBDRO CC[C@@H](CN1CCCC1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591742880 448478967 /nfs/dbraw/zinc/47/89/67/448478967.db2.gz OTZKBVWNTOMWDI-HOCLYGCPSA-N 1 0 337.420 1.799 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H](CC[NH3+])C(F)F)c(C)cc1[N+](=O)[O-] ZINC000584362450 448499772 /nfs/dbraw/zinc/49/97/72/448499772.db2.gz ZRYOJXPHJOHMDE-VIFPVBQESA-N 1 0 337.348 1.472 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2ccc(O)cc2)c1 ZINC000572953706 448504039 /nfs/dbraw/zinc/50/40/39/448504039.db2.gz RBKVUBWMEVUDKB-MRXNPFEDSA-N 1 0 332.356 1.872 20 5 EDBDRO COc1ccc(CNc2nc(N)[nH+]c3c2CCCC3)cc1[N+](=O)[O-] ZINC000591902301 448559166 /nfs/dbraw/zinc/55/91/66/448559166.db2.gz YVNSELUQHBGRHQ-UHFFFAOYSA-N 1 0 329.360 1.888 20 5 EDBDRO CCc1ccc(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000584719138 448608267 /nfs/dbraw/zinc/60/82/67/448608267.db2.gz APZHCBJSBIFFSX-AAEUAGOBSA-N 1 0 341.433 1.953 20 5 EDBDRO O=C(C[NH2+]C[C@H]1CCCO1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000517561489 448593256 /nfs/dbraw/zinc/59/32/56/448593256.db2.gz CDYKCAPNLLDSLE-CYBMUJFWSA-N 1 0 345.359 1.692 20 5 EDBDRO CN1CC[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000518022510 448640771 /nfs/dbraw/zinc/64/07/71/448640771.db2.gz TXMFRFGBGKNMAK-UHFFFAOYSA-N 1 0 326.422 1.414 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000540901325 448651718 /nfs/dbraw/zinc/65/17/18/448651718.db2.gz PLYHHMXWOJQNTQ-HUUCEWRRSA-N 1 0 328.372 1.761 20 5 EDBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000567667120 448729887 /nfs/dbraw/zinc/72/98/87/448729887.db2.gz AXHMYJJYIHOMFP-CQSZACIVSA-N 1 0 335.360 1.832 20 5 EDBDRO CS(=O)(=O)c1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)cc([N+](=O)[O-])c1 ZINC000592356771 448804529 /nfs/dbraw/zinc/80/45/29/448804529.db2.gz IWPXWHZQAKJVQR-NSHDSACASA-N 1 0 338.345 1.473 20 5 EDBDRO O=C(NCCC[NH2+]C1CC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000519647633 448811252 /nfs/dbraw/zinc/81/12/52/448811252.db2.gz FBRVXOBQXPJBKG-UHFFFAOYSA-N 1 0 330.344 1.721 20 5 EDBDRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000574199482 448815392 /nfs/dbraw/zinc/81/53/92/448815392.db2.gz DNIGVVQGINQQFL-OAHLLOKOSA-N 1 0 344.375 1.059 20 5 EDBDRO CC[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@@H]1[NH3+] ZINC000592331054 448794400 /nfs/dbraw/zinc/79/44/00/448794400.db2.gz HQHQXWYNGYYMIL-PWSUYJOCSA-N 1 0 335.360 1.565 20 5 EDBDRO CC[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC[C@H]1[NH3+] ZINC000592333196 448795382 /nfs/dbraw/zinc/79/53/82/448795382.db2.gz UHKWLFYTYLLWOV-BXUZGUMPSA-N 1 0 344.375 1.375 20 5 EDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000592335378 448796739 /nfs/dbraw/zinc/79/67/39/448796739.db2.gz YUEQKSWEARWRIL-NSHDSACASA-N 1 0 335.360 1.567 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000592342258 448799216 /nfs/dbraw/zinc/79/92/16/448799216.db2.gz UIVDNYVKLAMVBK-CYBMUJFWSA-N 1 0 349.387 1.188 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C1CC1)C1CC[NH2+]CC1 ZINC000592469594 448850837 /nfs/dbraw/zinc/85/08/37/448850837.db2.gz XFPOCKSCUXUGPS-UHFFFAOYSA-N 1 0 348.403 1.758 20 5 EDBDRO Nc1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000588002773 448854556 /nfs/dbraw/zinc/85/45/56/448854556.db2.gz JSJNBSDLINGKLM-AWEZNQCLSA-N 1 0 336.392 1.335 20 5 EDBDRO COc1cc(CC[NH2+]C[C@H](C)S(C)(=O)=O)c([N+](=O)[O-])cc1OC ZINC000574402315 448866119 /nfs/dbraw/zinc/86/61/19/448866119.db2.gz WOFJATCTOPGVPX-JTQLQIEISA-N 1 0 346.405 1.177 20 5 EDBDRO C[N@@H+]1CCN(CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1(C)C ZINC000588041965 448861781 /nfs/dbraw/zinc/86/17/81/448861781.db2.gz KRSLNZHUXWWJHZ-UHFFFAOYSA-N 1 0 337.424 1.107 20 5 EDBDRO CC(C)(C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)n1cc([N+](=O)[O-])cn1 ZINC000592555394 448897890 /nfs/dbraw/zinc/89/78/90/448897890.db2.gz YHDVJFZTRLFMHN-KBPBESRZSA-N 1 0 349.435 1.765 20 5 EDBDRO CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1(C)C ZINC000592562095 448901607 /nfs/dbraw/zinc/90/16/07/448901607.db2.gz CZUSUERAPLVCJW-WMLDXEAASA-N 1 0 348.403 1.407 20 5 EDBDRO Cc1nn(CCC(=O)N[C@H]2CC[NH2+]C23CCCC3)c(C)c1[N+](=O)[O-] ZINC000592571370 448905346 /nfs/dbraw/zinc/90/53/46/448905346.db2.gz XXGWJVPYVSZKTD-ZDUSSCGKSA-N 1 0 335.408 1.589 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000574692407 448934062 /nfs/dbraw/zinc/93/40/62/448934062.db2.gz MANBCJVSNPQFPH-NWDGAFQWSA-N 1 0 347.371 1.785 20 5 EDBDRO CC[NH+]1CCC(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000580477182 448949545 /nfs/dbraw/zinc/94/95/45/448949545.db2.gz ANRFOMVCKZLNLZ-UHFFFAOYSA-N 1 0 331.376 2.387 20 5 EDBDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])n3C)C2)CC1 ZINC000574808943 448960930 /nfs/dbraw/zinc/96/09/30/448960930.db2.gz VAWHFSOLDVHYEH-CQSZACIVSA-N 1 0 349.435 1.174 20 5 EDBDRO C[N@@H+]1CC[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000581149074 448967886 /nfs/dbraw/zinc/96/78/86/448967886.db2.gz SWDZQFSHPBLRCK-UONOGXRCSA-N 1 0 341.371 1.747 20 5 EDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCN1CCCOCC1)OCCO2 ZINC000589198227 448987686 /nfs/dbraw/zinc/98/76/86/448987686.db2.gz UPXAQKPGLFMLGA-UHFFFAOYSA-N 1 0 337.376 1.178 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)COc2ccc(Cl)cc2)c1 ZINC000569213789 448980943 /nfs/dbraw/zinc/98/09/43/448980943.db2.gz CRLHTBPBNXEPNV-ZDUSSCGKSA-N 1 0 340.767 1.474 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588861302 448941708 /nfs/dbraw/zinc/94/17/08/448941708.db2.gz PREJCIMCZAOBDD-CABCVRRESA-N 1 0 347.415 1.801 20 5 EDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CO)C[NH+](C)C ZINC000588866516 448943529 /nfs/dbraw/zinc/94/35/29/448943529.db2.gz KREQTGXWDPKHAS-MNOVXSKESA-N 1 0 327.406 1.114 20 5 EDBDRO Cc1cccc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000592880960 449034465 /nfs/dbraw/zinc/03/44/65/449034465.db2.gz QMCIUWKTCHIDPQ-GFCCVEGCSA-N 1 0 334.376 1.095 20 5 EDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595608556 449077391 /nfs/dbraw/zinc/07/73/91/449077391.db2.gz SKHHAHUSBIVCSH-QWHCGFSZSA-N 1 0 344.375 1.535 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000589924695 449081515 /nfs/dbraw/zinc/08/15/15/449081515.db2.gz IHLZUTAZYAEMSV-DGCLKSJQSA-N 1 0 325.390 1.228 20 5 EDBDRO CCn1cc(C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)cn1 ZINC000593081361 449126309 /nfs/dbraw/zinc/12/63/09/449126309.db2.gz NBKOYYPHLSTKJT-HNNXBMFYSA-N 1 0 336.396 1.279 20 5 EDBDRO O=C1[C@H]([N@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595633833 449092156 /nfs/dbraw/zinc/09/21/56/449092156.db2.gz ATOSAHQUFSEMCL-DLTLXFJOSA-N 1 0 345.399 1.793 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000599896697 449103571 /nfs/dbraw/zinc/10/35/71/449103571.db2.gz RBQACSNJZCTYPS-PWSUYJOCSA-N 1 0 334.376 1.407 20 5 EDBDRO Cc1cncc(CC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000593020778 449104822 /nfs/dbraw/zinc/10/48/22/449104822.db2.gz WLJNXXDWNYOYFZ-CQSZACIVSA-N 1 0 328.376 1.817 20 5 EDBDRO CC(C)C[N@H+](C)CCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000593615752 449110403 /nfs/dbraw/zinc/11/04/03/449110403.db2.gz DXCNPFLNKWKPDK-UHFFFAOYSA-N 1 0 343.449 1.992 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593104171 449136876 /nfs/dbraw/zinc/13/68/76/449136876.db2.gz WXJZXECSEHLTGK-VQNPYFGKSA-N 1 0 337.401 1.437 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000597942761 449152758 /nfs/dbraw/zinc/15/27/58/449152758.db2.gz NPCVPHOKJDSZIS-AWEZNQCLSA-N 1 0 336.436 1.905 20 5 EDBDRO CCO[C@@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000593703549 449153497 /nfs/dbraw/zinc/15/34/97/449153497.db2.gz ILVCPMSEOCOMEJ-UKRRQHHQSA-N 1 0 336.392 1.143 20 5 EDBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000595779266 449160283 /nfs/dbraw/zinc/16/02/83/449160283.db2.gz BNGZAQFOTQSIOT-GJZGRUSLSA-N 1 0 349.387 1.825 20 5 EDBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000593189387 449163531 /nfs/dbraw/zinc/16/35/31/449163531.db2.gz NLTCYRGSWMAEIO-MXWKQRLJSA-N 1 0 335.360 1.877 20 5 EDBDRO CC[N@@H+]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1C ZINC000611092404 449166630 /nfs/dbraw/zinc/16/66/30/449166630.db2.gz SKRSECFZUIVKOC-XJKSGUPXSA-N 1 0 332.404 1.726 20 5 EDBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)C[NH+](C)C ZINC000590369721 449139050 /nfs/dbraw/zinc/13/90/50/449139050.db2.gz LEYBVSNQIXXAEE-NSHDSACASA-N 1 0 341.433 1.748 20 5 EDBDRO Cc1c(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cccc1[N+](=O)[O-] ZINC000593135871 449148690 /nfs/dbraw/zinc/14/86/90/449148690.db2.gz OFGJWKYWACWNPE-UHFFFAOYSA-N 1 0 349.391 1.141 20 5 EDBDRO COc1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000590403020 449149662 /nfs/dbraw/zinc/14/96/62/449149662.db2.gz WFTLWXTUJBDBRX-ZFWWWQNUSA-N 1 0 349.387 1.539 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000590402800 449149808 /nfs/dbraw/zinc/14/98/08/449149808.db2.gz HHOHWWRFKGVNCE-ABAIWWIYSA-N 1 0 349.387 1.936 20 5 EDBDRO CN(CCC[NH+](C)C)CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000597990416 449174751 /nfs/dbraw/zinc/17/47/51/449174751.db2.gz VHEVRHJYFBLPDJ-UHFFFAOYSA-N 1 0 347.419 1.689 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c1C ZINC000590590605 449206336 /nfs/dbraw/zinc/20/63/36/449206336.db2.gz ZRFLXFGRRGJTGF-TZMCWYRMSA-N 1 0 341.433 1.925 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000590566502 449193241 /nfs/dbraw/zinc/19/32/41/449193241.db2.gz LFSNLUNOCWNMDK-IINYFYTJSA-N 1 0 335.360 1.546 20 5 EDBDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590658930 449235264 /nfs/dbraw/zinc/23/52/64/449235264.db2.gz REWORNSTEURDAP-MEDUHNTESA-N 1 0 338.360 1.507 20 5 EDBDRO C[NH+](C)CCn1cc(NC(=O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000604511272 449241214 /nfs/dbraw/zinc/24/12/14/449241214.db2.gz PWQNSNXIOGNAGH-UHFFFAOYSA-N 1 0 333.348 1.370 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000595919141 449252841 /nfs/dbraw/zinc/25/28/41/449252841.db2.gz JKZPKIUTTMTXLR-GFCCVEGCSA-N 1 0 329.360 1.367 20 5 EDBDRO CN(CC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1[N+](=O)[O-] ZINC000601976977 449257306 /nfs/dbraw/zinc/25/73/06/449257306.db2.gz SDTKXDLKGOOYPH-CALCHBBNSA-N 1 0 332.404 1.489 20 5 EDBDRO COc1ccc(CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595932115 449262148 /nfs/dbraw/zinc/26/21/48/449262148.db2.gz LPLMUAVNDNHUIZ-ZDUSSCGKSA-N 1 0 347.293 1.762 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595935504 449264743 /nfs/dbraw/zinc/26/47/43/449264743.db2.gz ULDRSMCMAWPAMQ-OAHLLOKOSA-N 1 0 349.435 1.728 20 5 EDBDRO [NH3+]CC12CC(C1)CN2C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000595944166 449270454 /nfs/dbraw/zinc/27/04/54/449270454.db2.gz VUZJBLUHVXNCNK-UHFFFAOYSA-N 1 0 340.177 1.921 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611223177 449225510 /nfs/dbraw/zinc/22/55/10/449225510.db2.gz BNRDKPSSGWRTFH-NEPJUHHUSA-N 1 0 335.360 1.370 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000595967539 449288189 /nfs/dbraw/zinc/28/81/89/449288189.db2.gz UXFGJSMSFJCMFB-CHWSQXEVSA-N 1 0 347.350 1.343 20 5 EDBDRO O=C(C[N@H+]1CCCCC[C@H]1CO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000594016843 449324532 /nfs/dbraw/zinc/32/45/32/449324532.db2.gz LKZODWKUHWUGAP-HNNXBMFYSA-N 1 0 333.388 1.721 20 5 EDBDRO COc1cc(OCC(=O)Nc2nn(C)c(C)c2C[NH3+])ccc1[N+](=O)[O-] ZINC000595963066 449285831 /nfs/dbraw/zinc/28/58/31/449285831.db2.gz YVVANPLBUFRPAE-UHFFFAOYSA-N 1 0 349.347 1.122 20 5 EDBDRO COc1ccc(NC(=O)CC[N@H+](C[C@@H](C)O)C2CC2)c([N+](=O)[O-])c1 ZINC000594061924 449344018 /nfs/dbraw/zinc/34/40/18/449344018.db2.gz DAJUXSZISSWZTP-LLVKDONJSA-N 1 0 337.376 1.777 20 5 EDBDRO C[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)[N@@H+]1CCc2sccc2C1 ZINC000596076348 449351141 /nfs/dbraw/zinc/35/11/41/449351141.db2.gz ODOKFQIXFGPWIO-SNVBAGLBSA-N 1 0 333.417 2.492 20 5 EDBDRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000596053405 449337984 /nfs/dbraw/zinc/33/79/84/449337984.db2.gz ZTQKQRMTRRSKPA-SECBINFHSA-N 1 0 327.284 1.105 20 5 EDBDRO C[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000596181118 449400926 /nfs/dbraw/zinc/40/09/26/449400926.db2.gz WVUQHKASCZUTFS-TZMCWYRMSA-N 1 0 334.424 1.034 20 5 EDBDRO CNc1nccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000594248638 449410112 /nfs/dbraw/zinc/41/01/12/449410112.db2.gz RKBZJWVXJFXPIX-UHFFFAOYSA-N 1 0 347.419 2.122 20 5 EDBDRO CNc1nccc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000594282946 449428965 /nfs/dbraw/zinc/42/89/65/449428965.db2.gz WAXDPZAYEDDZRW-TXEJJXNPSA-N 1 0 335.408 2.024 20 5 EDBDRO CC(C)[NH+]1CCC(N2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC000596168332 449393322 /nfs/dbraw/zinc/39/33/22/449393322.db2.gz PWZICDJGSODNTL-UHFFFAOYSA-N 1 0 349.435 1.690 20 5 EDBDRO CCc1nn(C)c(N2CCC(CO)([NH2+]CC(C)C)CC2)c1[N+](=O)[O-] ZINC000596253887 449441181 /nfs/dbraw/zinc/44/11/81/449441181.db2.gz YCOYOUJFYTVMFI-UHFFFAOYSA-N 1 0 339.440 1.468 20 5 EDBDRO CCc1nn(C)c(N2CCC(CO)([NH2+]CC3CC3)CC2)c1[N+](=O)[O-] ZINC000596262798 449444854 /nfs/dbraw/zinc/44/48/54/449444854.db2.gz CQIPIVWWAWIFAK-UHFFFAOYSA-N 1 0 337.424 1.222 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598560903 449466185 /nfs/dbraw/zinc/46/61/85/449466185.db2.gz ORGQSMQZNFUVFM-CQSZACIVSA-N 1 0 335.408 1.338 20 5 EDBDRO CC(C)(C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000598562969 449467218 /nfs/dbraw/zinc/46/72/18/449467218.db2.gz XXWMQTYITSUEQJ-AWEZNQCLSA-N 1 0 349.435 1.765 20 5 EDBDRO CC(C)[NH2+]C1(CO)CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000596250628 449439603 /nfs/dbraw/zinc/43/96/03/449439603.db2.gz JFXJVUDEUKMDDH-UHFFFAOYSA-N 1 0 345.403 1.867 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000594471319 449536593 /nfs/dbraw/zinc/53/65/93/449536593.db2.gz CGLJSJQAMMUEET-BETUJISGSA-N 1 0 341.433 1.830 20 5 EDBDRO [NH3+][C@@]12CCC[C@H]1CN(CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000598681518 449539766 /nfs/dbraw/zinc/53/97/66/449539766.db2.gz GMFHOMXKHNUDEG-YVEFUNNKSA-N 1 0 346.387 1.706 20 5 EDBDRO COC(=O)c1ccnc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000598628561 449506223 /nfs/dbraw/zinc/50/62/23/449506223.db2.gz PRXAVCKSMZPBDZ-NSHDSACASA-N 1 0 334.376 1.697 20 5 EDBDRO C[C@H]1C[C@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c2nccn21 ZINC000598633489 449508788 /nfs/dbraw/zinc/50/87/88/449508788.db2.gz OZBMOQSDTXMRMC-KWQFWETISA-N 1 0 337.361 1.557 20 5 EDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1cn([C@H]3CC[NH2+]C3)nn1)CCC2 ZINC000600713186 449511988 /nfs/dbraw/zinc/51/19/88/449511988.db2.gz HIGWUYXRKDFMLN-DOTOQJQBSA-N 1 0 342.403 1.888 20 5 EDBDRO COC(=O)c1cc(-c2cnc(N3CC[NH2+]CC3)nc2)cc([N+](=O)[O-])c1 ZINC000600845011 449572934 /nfs/dbraw/zinc/57/29/34/449572934.db2.gz FPJAAGHRGBLVND-UHFFFAOYSA-N 1 0 343.343 1.248 20 5 EDBDRO COc1cccc([N+](=O)[O-])c1N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000594566616 449577265 /nfs/dbraw/zinc/57/72/65/449577265.db2.gz URENWKZDZLSSND-AWEZNQCLSA-N 1 0 348.403 1.522 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598714661 449558574 /nfs/dbraw/zinc/55/85/74/449558574.db2.gz HGZHOZBAIGNFDC-MFKMUULPSA-N 1 0 341.433 1.817 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)c(C)c1[N+](=O)[O-] ZINC000598715219 449558778 /nfs/dbraw/zinc/55/87/78/449558778.db2.gz NEAJMPILWMMTAK-ZDUSSCGKSA-N 1 0 339.417 1.632 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598723482 449564537 /nfs/dbraw/zinc/56/45/37/449564537.db2.gz IIFFUZVCYPUOAA-SWLSCSKDSA-N 1 0 339.417 1.659 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)[C@@H](C)C[NH2+]1 ZINC000602485749 449626711 /nfs/dbraw/zinc/62/67/11/449626711.db2.gz RHXJOEUWXYTANN-MNOVXSKESA-N 1 0 347.350 1.742 20 5 EDBDRO COc1ccc(CNC2CC[NH+](CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000602527207 449651863 /nfs/dbraw/zinc/65/18/63/449651863.db2.gz HTDWGFODNZEQRJ-UHFFFAOYSA-N 1 0 337.420 1.928 20 5 EDBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594751688 449667098 /nfs/dbraw/zinc/66/70/98/449667098.db2.gz BDOQVAPUYOQJOJ-LLVKDONJSA-N 1 0 328.394 1.000 20 5 EDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCOCC[NH3+] ZINC000602551173 449669767 /nfs/dbraw/zinc/66/97/67/449669767.db2.gz NAKRFFZOZSEFLT-UHFFFAOYSA-N 1 0 327.406 1.754 20 5 EDBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594762212 449676185 /nfs/dbraw/zinc/67/61/85/449676185.db2.gz FRCSMDVDKZWVIU-NSHDSACASA-N 1 0 328.394 1.143 20 5 EDBDRO CCN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000598910273 449643255 /nfs/dbraw/zinc/64/32/55/449643255.db2.gz XCQULDBRUUGGDK-CQSZACIVSA-N 1 0 349.391 1.269 20 5 EDBDRO CO[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000594717999 449645200 /nfs/dbraw/zinc/64/52/00/449645200.db2.gz JWNJXVDWSMWLEU-DOMZBBRYSA-N 1 0 337.376 1.565 20 5 EDBDRO COCC(=O)N1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599025432 449702624 /nfs/dbraw/zinc/70/26/24/449702624.db2.gz NTRRPEXXLMZZQW-UHFFFAOYSA-N 1 0 330.344 1.438 20 5 EDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1COCCN1C ZINC000599081625 449720972 /nfs/dbraw/zinc/72/09/72/449720972.db2.gz SMGRBRKEPCYXFY-SWLSCSKDSA-N 1 0 336.392 1.232 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000599100084 449732145 /nfs/dbraw/zinc/73/21/45/449732145.db2.gz DVRNKKCLYUWSMR-GFCCVEGCSA-N 1 0 343.405 1.222 20 5 EDBDRO C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[NH2+]1 ZINC000599107130 449739512 /nfs/dbraw/zinc/73/95/12/449739512.db2.gz ZQVRZKXSCYLDLY-DTWKUNHWSA-N 1 0 333.797 1.667 20 5 EDBDRO Cn1c(C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000602582567 449687166 /nfs/dbraw/zinc/68/71/66/449687166.db2.gz NOSZLWNHLDEAQV-ZDUSSCGKSA-N 1 0 336.392 1.164 20 5 EDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594775265 449687724 /nfs/dbraw/zinc/68/77/24/449687724.db2.gz JDIWJMXDSDXFDP-NEPJUHHUSA-N 1 0 340.405 1.095 20 5 EDBDRO C[NH+]1CCN(c2ccc(CNc3ncc(F)cc3[N+](=O)[O-])cn2)CC1 ZINC000601100863 449689579 /nfs/dbraw/zinc/68/95/79/449689579.db2.gz DFJLAVWNKKSTSS-UHFFFAOYSA-N 1 0 346.366 1.888 20 5 EDBDRO CC(C)Oc1nc(N2CCC[C@@](O)(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000601189776 449742034 /nfs/dbraw/zinc/74/20/34/449742034.db2.gz VENREEHQLAXVBD-MRXNPFEDSA-N 1 0 338.408 1.670 20 5 EDBDRO Cc1nccnc1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602677117 449744089 /nfs/dbraw/zinc/74/40/89/449744089.db2.gz TXDSEMZJHRDMRF-UHFFFAOYSA-N 1 0 342.403 1.889 20 5 EDBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599130600 449753963 /nfs/dbraw/zinc/75/39/63/449753963.db2.gz DXXHGNNBAKGHRE-HNNXBMFYSA-N 1 0 343.387 1.895 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)CC[NH+]2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000601337178 449846220 /nfs/dbraw/zinc/84/62/20/449846220.db2.gz YVIWXVKVTVKDLV-UHFFFAOYSA-N 1 0 345.396 1.759 20 5 EDBDRO [NH3+][C@H]1CCCCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000601325058 449833231 /nfs/dbraw/zinc/83/32/31/449833231.db2.gz YXRQUXPUDXANPT-AWEZNQCLSA-N 1 0 332.404 1.687 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000602832079 449843263 /nfs/dbraw/zinc/84/32/63/449843263.db2.gz QDZMVWMABSJTND-GHMZBOCLSA-N 1 0 336.314 1.592 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000602834085 449844281 /nfs/dbraw/zinc/84/42/81/449844281.db2.gz ZPJMRAOLHXWHJP-CQSZACIVSA-N 1 0 335.408 1.336 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000602765442 449791506 /nfs/dbraw/zinc/79/15/06/449791506.db2.gz LRNOTKUPKCFFHD-CQSZACIVSA-N 1 0 335.408 1.338 20 5 EDBDRO Cc1sc(C(=O)N2CCN(CCO)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000614895446 449864504 /nfs/dbraw/zinc/86/45/04/449864504.db2.gz ULBDDXYXHJUJRW-UHFFFAOYSA-N 1 0 327.406 1.493 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601351385 449865281 /nfs/dbraw/zinc/86/52/81/449865281.db2.gz GDKIODQUCXYVEE-TZMCWYRMSA-N 1 0 339.417 1.666 20 5 EDBDRO CC[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601359041 449873330 /nfs/dbraw/zinc/87/33/30/449873330.db2.gz PXPPYIXTRXIVIH-WCBMZHEXSA-N 1 0 333.435 1.583 20 5 EDBDRO CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)[C@H]1CC[N@H+](C)C1 ZINC000595110134 449874225 /nfs/dbraw/zinc/87/42/25/449874225.db2.gz GWMOKNJAGPIHLT-ZDUSSCGKSA-N 1 0 348.403 1.703 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)c(C)cc1[N+](=O)[O-] ZINC000595112089 449875737 /nfs/dbraw/zinc/87/57/37/449875737.db2.gz RWJVDDQMNSWTKD-CQSZACIVSA-N 1 0 339.417 1.632 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC3CC2(C[NH3+])C3)cc1[N+](=O)[O-] ZINC000595118179 449878480 /nfs/dbraw/zinc/87/84/80/449878480.db2.gz VPISFPOLCCKBLI-UHFFFAOYSA-N 1 0 325.390 1.323 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601343754 449853298 /nfs/dbraw/zinc/85/32/98/449853298.db2.gz QNTXFDLKMNYKLN-VHSXEESVSA-N 1 0 331.369 1.413 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000601422307 449940289 /nfs/dbraw/zinc/94/02/89/449940289.db2.gz PQTXEUKIEQCCET-QWRGUYRKSA-N 1 0 343.405 1.317 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000601421922 449940443 /nfs/dbraw/zinc/94/04/43/449940443.db2.gz NAOGWBIYSPPDJZ-OLZOCXBDSA-N 1 0 341.433 1.925 20 5 EDBDRO Cc1nnc(N2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)n1C ZINC000602941866 449943442 /nfs/dbraw/zinc/94/34/42/449943442.db2.gz LPJPZCQRMSHEIX-UHFFFAOYSA-N 1 0 334.355 1.493 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000595226209 449958563 /nfs/dbraw/zinc/95/85/63/449958563.db2.gz RHTDNSFBBATRSK-ZFWWWQNUSA-N 1 0 348.403 1.137 20 5 EDBDRO C[C@@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1[NH3+] ZINC000595229126 449959835 /nfs/dbraw/zinc/95/98/35/449959835.db2.gz SCEVRUJDGHGJQZ-RISCZKNCSA-N 1 0 329.360 1.590 20 5 EDBDRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000609163329 449972131 /nfs/dbraw/zinc/97/21/31/449972131.db2.gz CIUZTYZLVBBLSF-UHFFFAOYSA-N 1 0 345.359 1.467 20 5 EDBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000595245844 449972540 /nfs/dbraw/zinc/97/25/40/449972540.db2.gz XWHPEZDMXQUACZ-SNVBAGLBSA-N 1 0 336.392 1.555 20 5 EDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000609268814 449996435 /nfs/dbraw/zinc/99/64/35/449996435.db2.gz CYQLTZJFJVZJMI-NSHDSACASA-N 1 0 347.375 1.312 20 5 EDBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000603010670 450005269 /nfs/dbraw/zinc/00/52/69/450005269.db2.gz BXGSEXWWFGLZKS-KRWDZBQOSA-N 1 0 349.431 1.835 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000595353661 450068301 /nfs/dbraw/zinc/06/83/01/450068301.db2.gz JHIFYRXYFCZXSH-CYBMUJFWSA-N 1 0 341.433 1.974 20 5 EDBDRO Cn1cc(N2CC[C@@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)C2=O)cn1 ZINC000609543648 450047346 /nfs/dbraw/zinc/04/73/46/450047346.db2.gz FGJVDKAOJQNQOS-OAHLLOKOSA-N 1 0 329.360 1.266 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+][C@H](C(C)C)C2)cc1C ZINC000595412963 450125035 /nfs/dbraw/zinc/12/50/35/450125035.db2.gz PYNJUCODNLLZKP-ZDUSSCGKSA-N 1 0 341.433 1.830 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000597667114 450181342 /nfs/dbraw/zinc/18/13/42/450181342.db2.gz MARSBEIDFNSBJM-CYBMUJFWSA-N 1 0 348.403 1.560 20 5 EDBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000597652622 450171796 /nfs/dbraw/zinc/17/17/96/450171796.db2.gz COEPUMKYPHHYHH-JTQLQIEISA-N 1 0 335.282 1.266 20 5 EDBDRO Cn1cc([C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C2(CO)CCC2)cn1 ZINC000595495999 450183716 /nfs/dbraw/zinc/18/37/16/450183716.db2.gz XCGZFBSSIQHXQT-AWEZNQCLSA-N 1 0 334.380 1.018 20 5 EDBDRO Cc1nccc([C@H]2CCC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000610336013 450195151 /nfs/dbraw/zinc/19/51/51/450195151.db2.gz KAPHLRNGRANJBQ-ZFWWWQNUSA-N 1 0 346.391 1.130 20 5 EDBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@H]1CCS(=O)(=O)C1 ZINC000619785206 450334692 /nfs/dbraw/zinc/33/46/92/450334692.db2.gz XSICNDVXHCYEBL-AWEZNQCLSA-N 1 0 326.418 1.894 20 5 EDBDRO CN1CCN(C(=O)C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000610805618 450341530 /nfs/dbraw/zinc/34/15/30/450341530.db2.gz BDUNBXXSEXNNSC-MRXNPFEDSA-N 1 0 346.431 1.280 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000610886909 450369500 /nfs/dbraw/zinc/36/95/00/450369500.db2.gz CSCWVRDGOUWLJM-CQSZACIVSA-N 1 0 336.392 1.640 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000619435094 450472448 /nfs/dbraw/zinc/47/24/48/450472448.db2.gz SCCPJBIBEWBQQI-GFCCVEGCSA-N 1 0 337.376 1.444 20 5 EDBDRO CC[NH+]1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000619466502 450482077 /nfs/dbraw/zinc/48/20/77/450482077.db2.gz RSHYFHPMBSJGLD-UHFFFAOYSA-N 1 0 343.405 1.366 20 5 EDBDRO C[S@@](=O)C1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC000619552826 450504953 /nfs/dbraw/zinc/50/49/53/450504953.db2.gz QARRYOMVUONDND-HSZRJFAPSA-N 1 0 340.401 1.757 20 5 EDBDRO CC(C)(C)[C@H](CCO)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000183696104 526692990 /nfs/dbraw/zinc/69/29/90/526692990.db2.gz YBOAFLLFSJYTPY-WFASDCNBSA-N 1 0 326.393 1.721 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247492842 535679830 /nfs/dbraw/zinc/67/98/30/535679830.db2.gz LCAHYNSAFGYPPU-JKSUJKDBSA-N 1 0 337.420 1.751 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000346140635 535809426 /nfs/dbraw/zinc/80/94/26/535809426.db2.gz UCUITRPLIPRVQN-NWDGAFQWSA-N 1 0 338.412 1.038 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261996208 535949992 /nfs/dbraw/zinc/94/99/92/535949992.db2.gz NEBAHGVZHRETII-XHDPSFHLSA-N 1 0 338.412 1.025 20 5 EDBDRO C[NH+](C)CC1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000353291742 536115881 /nfs/dbraw/zinc/11/58/81/536115881.db2.gz OHBDYEVFDDMDIR-UHFFFAOYSA-N 1 0 348.403 1.125 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000345879022 536363675 /nfs/dbraw/zinc/36/36/75/536363675.db2.gz HBFYWMFKJRYKLK-UTUOFQBUSA-N 1 0 334.376 1.426 20 5 EDBDRO COC(=O)c1cc(C(=O)NCC[N@@H+]2CCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000742241201 579444753 /nfs/dbraw/zinc/44/47/53/579444753.db2.gz TWUMQKWPQXRZLF-LLVKDONJSA-N 1 0 335.360 1.596 20 5 EDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000732138448 578693222 /nfs/dbraw/zinc/69/32/22/578693222.db2.gz CMJDSWUGEOXWKK-HNNXBMFYSA-N 1 0 345.403 1.935 20 5 EDBDRO CN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@H]1C[NH+]2CCC1CC2 ZINC000732160375 578695194 /nfs/dbraw/zinc/69/51/94/578695194.db2.gz PCIQHEIYWXRYIG-HNNXBMFYSA-N 1 0 347.371 1.339 20 5 EDBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1[N+](=O)[O-] ZINC000733159346 578746088 /nfs/dbraw/zinc/74/60/88/578746088.db2.gz PAWAKKSLHAJJHU-AWEZNQCLSA-N 1 0 333.388 1.968 20 5 EDBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736292061 578974457 /nfs/dbraw/zinc/97/44/57/578974457.db2.gz HXOGKFZTCMWVJL-DGCLKSJQSA-N 1 0 343.391 1.838 20 5 EDBDRO COc1ccc(NC(=O)[C@@H](C)N2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000761083027 580047552 /nfs/dbraw/zinc/04/75/52/580047552.db2.gz SFDSKTQYDOJXDB-NWDGAFQWSA-N 1 0 336.392 1.566 20 5 EDBDRO C[N@H+](CCCNC(=O)OC(C)(C)C)CCn1ccc([N+](=O)[O-])n1 ZINC000747961279 579664615 /nfs/dbraw/zinc/66/46/15/579664615.db2.gz LDCWAMHMWXBFBZ-UHFFFAOYSA-N 1 0 327.385 1.638 20 5 EDBDRO O=[N+]([O-])c1c(N2CCC[N@H+](C[C@H]3CCCO3)CC2)nc2ccccn21 ZINC000748272232 579677878 /nfs/dbraw/zinc/67/78/78/579677878.db2.gz LUAWWHHKQIDHKR-CQSZACIVSA-N 1 0 345.403 1.934 20 5 EDBDRO COC[C@](C)(CC(=O)OC)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750108849 579752269 /nfs/dbraw/zinc/75/22/69/579752269.db2.gz WVQCRNKAPCCVRB-ZFWWWQNUSA-N 1 0 326.349 1.186 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000750982387 579789517 /nfs/dbraw/zinc/78/95/17/579789517.db2.gz YBIBRBDFSYRXHH-UHFFFAOYSA-N 1 0 335.408 1.705 20 5 EDBDRO C[C@H]1C[N@H+](CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C[C@H]1C ZINC000751930846 579828479 /nfs/dbraw/zinc/82/84/79/579828479.db2.gz VFKOQAWKGPDDTC-JKDFXYPNSA-N 1 0 346.387 1.907 20 5 EDBDRO C[C@@H](O)C[C@H]1CCCN1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000752812892 579866351 /nfs/dbraw/zinc/86/63/51/579866351.db2.gz ORIUBSIUBQSUIR-GHMZBOCLSA-N 1 0 333.344 1.384 20 5 EDBDRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)CN1 ZINC000776599254 580423692 /nfs/dbraw/zinc/42/36/92/580423692.db2.gz ZLIPWPLRFYMENT-BPUTZDHNSA-N 1 0 333.388 1.619 20 5 EDBDRO O=C(CC[N@@H+]1CCc2ccccc2C1)OCCn1cc([N+](=O)[O-])cn1 ZINC000786817498 580680112 /nfs/dbraw/zinc/68/01/12/580680112.db2.gz PTTYFPPIEKAYOM-UHFFFAOYSA-N 1 0 344.371 1.783 20 5 EDBDRO COc1c[nH+]ccc1N1CCN(Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000794708142 580903952 /nfs/dbraw/zinc/90/39/52/580903952.db2.gz WYLMARIYINCCKJ-UHFFFAOYSA-N 1 0 346.391 1.591 20 5 EDBDRO COc1cc([N+](=O)[O-])cnc1N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000893048909 590636136 /nfs/dbraw/zinc/63/61/36/590636136.db2.gz VIGSNGOIMJJTAI-UKRRQHHQSA-N 1 0 349.435 1.461 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000892145493 590821430 /nfs/dbraw/zinc/82/14/30/590821430.db2.gz SJBZXPLJLQFCGG-STQMWFEESA-N 1 0 346.362 1.979 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000892211682 590865264 /nfs/dbraw/zinc/86/52/64/590865264.db2.gz LBDYLTZEXRWARW-JSGCOSHPSA-N 1 0 334.376 1.449 20 5 EDBDRO C[C@H](CNc1c2cc(F)ccc2ncc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000892282503 590911658 /nfs/dbraw/zinc/91/16/58/590911658.db2.gz UFWNUEWDOILOJD-GFCCVEGCSA-N 1 0 347.394 1.752 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000892658846 591114066 /nfs/dbraw/zinc/11/40/66/591114066.db2.gz WZJAYCJJGPZUMU-INIZCTEOSA-N 1 0 331.376 1.377 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1[C@H](C)CCC[C@H]1CC[NH+](C)C ZINC000893025844 591259335 /nfs/dbraw/zinc/25/93/35/591259335.db2.gz LDWCNJZEPHGEBV-OCCSQVGLSA-N 1 0 337.424 1.821 20 5 EDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC000895769695 591268979 /nfs/dbraw/zinc/26/89/79/591268979.db2.gz BPCFJUGFPPBRQY-BBRMVZONSA-N 1 0 347.415 1.801 20 5 EDBDRO C[C@@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000896533493 591498863 /nfs/dbraw/zinc/49/88/63/591498863.db2.gz OVMZIEJMAWBOCD-ABAIWWIYSA-N 1 0 338.383 1.027 20 5 EDBDRO CNc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000896582720 591540892 /nfs/dbraw/zinc/54/08/92/591540892.db2.gz YHEOOJBMNUQLBU-XHDPSFHLSA-N 1 0 335.408 1.001 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000897618578 591589599 /nfs/dbraw/zinc/58/95/99/591589599.db2.gz FWAIQBTVFDFHEP-YEKRNXETSA-N 1 0 336.413 1.975 20 5 EDBDRO CC[N@H+](CCC(=O)NC)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000897709974 591628985 /nfs/dbraw/zinc/62/89/85/591628985.db2.gz NONCSPLPVQVZSL-UHFFFAOYSA-N 1 0 325.365 1.570 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)C2C[NH+]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000896853992 591635049 /nfs/dbraw/zinc/63/50/49/591635049.db2.gz SQKRTRDYSYPDJW-DOMZBBRYSA-N 1 0 333.388 1.801 20 5 EDBDRO CN(C)[C@@H](CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000896878467 591643854 /nfs/dbraw/zinc/64/38/54/591643854.db2.gz HITQAKASXZMMOI-CBINBANVSA-N 1 0 335.330 1.967 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)CCN1C ZINC000895534093 591791406 /nfs/dbraw/zinc/79/14/06/591791406.db2.gz WARSJYNYJKDQIN-CYBMUJFWSA-N 1 0 343.387 1.616 20 5 EDBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000899809476 591946461 /nfs/dbraw/zinc/94/64/61/591946461.db2.gz LXHYKYXJLSNZET-LLVKDONJSA-N 1 0 330.348 1.074 20 5 EDBDRO CNC(=O)c1ccc(N2CC[NH2+]CCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000900420929 592014296 /nfs/dbraw/zinc/01/42/96/592014296.db2.gz DMWPWQHINDIMPC-UHFFFAOYSA-N 1 0 348.403 1.303 20 5 EDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCNC(=O)CC12C[NH2+]C2 ZINC000903773193 592311792 /nfs/dbraw/zinc/31/17/92/592311792.db2.gz KIOQATKSGYBOEJ-UHFFFAOYSA-N 1 0 348.403 1.046 20 5 EDBDRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000901350999 592343955 /nfs/dbraw/zinc/34/39/55/592343955.db2.gz NMGLJZWSUCHORL-IUODEOHRSA-N 1 0 341.795 1.362 20 5 EDBDRO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C12CC[NH+](CC1)C2 ZINC000908249029 592405010 /nfs/dbraw/zinc/40/50/10/592405010.db2.gz JQAUYWRIZRVVDT-UHFFFAOYSA-N 1 0 328.372 1.831 20 5 EDBDRO O=C1C[C@H]([NH2+]CC[N+](=O)[O-])CN1Cc1ccccc1C(F)(F)F ZINC000905213648 592469150 /nfs/dbraw/zinc/46/91/50/592469150.db2.gz DXXAVGFWBDPJTP-NSHDSACASA-N 1 0 331.294 1.673 20 5 EDBDRO CO[C@]1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCSC1 ZINC000905547259 592557820 /nfs/dbraw/zinc/55/78/20/592557820.db2.gz VHCAURMKIGYAOI-ZFWWWQNUSA-N 1 0 342.417 1.446 20 5 EDBDRO C[NH+]1CCC2(CCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000907852478 592814965 /nfs/dbraw/zinc/81/49/65/592814965.db2.gz CFXTYMYFPIRGLZ-UHFFFAOYSA-N 1 0 343.380 1.593 20 5 EDBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)C1 ZINC000911735352 592992709 /nfs/dbraw/zinc/99/27/09/592992709.db2.gz KJJWUWNRQTUHCB-HNNXBMFYSA-N 1 0 343.387 1.664 20 5 EDBDRO C[NH+](C)CC1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000738077071 593079315 /nfs/dbraw/zinc/07/93/15/593079315.db2.gz RQRIBHPHXVSSMQ-UHFFFAOYSA-N 1 0 334.376 1.734 20 5 EDBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)OCCC[NH+](C)C ZINC000838093950 593122946 /nfs/dbraw/zinc/12/29/46/593122946.db2.gz AZFMWFAZYPBVGF-UHFFFAOYSA-N 1 0 327.312 1.801 20 5 EDBDRO O=[N+]([O-])c1cccnc1N1CCN(C[C@H](O)c2ccc(F)cn2)CC1 ZINC000839032829 593255966 /nfs/dbraw/zinc/25/59/66/593255966.db2.gz UYVGTNPQRBLOAT-HNNXBMFYSA-N 1 0 347.350 1.380 20 5 EDBDRO Nc1ccc([N+](=O)[O-])c(NCC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000814261849 593580501 /nfs/dbraw/zinc/58/05/01/593580501.db2.gz HWOBQXOPMQCKMM-UHFFFAOYSA-N 1 0 335.408 1.581 20 5 EDBDRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815627258 593644664 /nfs/dbraw/zinc/64/46/64/593644664.db2.gz XLAFNIAEMNHMIR-SKDRFNHKSA-N 1 0 326.422 1.695 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000818590823 593706119 /nfs/dbraw/zinc/70/61/19/593706119.db2.gz AFRJOBQZVWISSW-OAHLLOKOSA-N 1 0 334.332 1.719 20 5 EDBDRO O=C(NCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000818963058 593730592 /nfs/dbraw/zinc/73/05/92/593730592.db2.gz DXHPYHHYLGXRAU-ZDUSSCGKSA-N 1 0 335.385 1.709 20 5 EDBDRO COC[C@@]1(c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)CC[NH2+]C1 ZINC000822862004 594112912 /nfs/dbraw/zinc/11/29/12/594112912.db2.gz GLILKOHYVMUKLL-MRXNPFEDSA-N 1 0 332.360 1.755 20 5 EDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000825250066 594155357 /nfs/dbraw/zinc/15/53/57/594155357.db2.gz SJADQLWTDMRXFO-OAHLLOKOSA-N 1 0 348.403 1.302 20 5 EDBDRO O=[N+]([O-])c1cc(-c2nc(N3CC[NH2+]CC3)no2)ccc1N1CCCC1 ZINC000823330814 594187158 /nfs/dbraw/zinc/18/71/58/594187158.db2.gz UYDNPGJHDYRNLJ-UHFFFAOYSA-N 1 0 344.375 1.655 20 5 EDBDRO Cc1ccc(CNC(=O)C(C)(C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000825634377 594209563 /nfs/dbraw/zinc/20/95/63/594209563.db2.gz QEFGBEFZGSUJHR-UHFFFAOYSA-N 1 0 335.404 1.878 20 5 EDBDRO C[N@H+](CCO)CCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000829749292 594254075 /nfs/dbraw/zinc/25/40/75/594254075.db2.gz HGZFIDIZABAJIY-UHFFFAOYSA-N 1 0 329.784 1.221 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000826833202 594585289 /nfs/dbraw/zinc/58/52/89/594585289.db2.gz ZXFHGKKWQXQCSH-TZMCWYRMSA-N 1 0 337.424 1.679 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827289177 594658813 /nfs/dbraw/zinc/65/88/13/594658813.db2.gz QGYNDQOZCWRSIV-SKDRFNHKSA-N 1 0 347.400 1.766 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000831637732 594689110 /nfs/dbraw/zinc/68/91/10/594689110.db2.gz ZSNJUJPKVSIJAT-GFCCVEGCSA-N 1 0 338.795 1.368 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000831678357 594691974 /nfs/dbraw/zinc/69/19/74/594691974.db2.gz ZUDGGSDQBMVXBF-KRWDZBQOSA-N 1 0 343.387 1.547 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000832496295 594754483 /nfs/dbraw/zinc/75/44/83/594754483.db2.gz PRWPLTKVJBMREV-CHWSQXEVSA-N 1 0 335.360 1.385 20 5 EDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841200210 594867341 /nfs/dbraw/zinc/86/73/41/594867341.db2.gz LXSQHSXFLROMAM-IUCAKERBSA-N 1 0 340.767 1.382 20 5 EDBDRO [NH3+]C1(CNC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000841966381 594991096 /nfs/dbraw/zinc/99/10/96/594991096.db2.gz AEZDGSFCURAMLR-UHFFFAOYSA-N 1 0 333.392 1.308 20 5 EDBDRO COc1cc(Cc2noc(CC(C)(C)[NH3+])n2)c([N+](=O)[O-])c(OC)c1 ZINC000843225347 595044166 /nfs/dbraw/zinc/04/41/66/595044166.db2.gz HRNCUZAXWCQBTM-UHFFFAOYSA-N 1 0 336.348 1.866 20 5 EDBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@@H](C[NH3+])C1 ZINC000843368004 595089997 /nfs/dbraw/zinc/08/99/97/595089997.db2.gz MXEPNMWULKPHRP-KOLCDFICSA-N 1 0 342.783 1.235 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000843451779 595115309 /nfs/dbraw/zinc/11/53/09/595115309.db2.gz YQJWDVOWMNRCPC-GFCCVEGCSA-N 1 0 334.332 1.778 20 5 EDBDRO C[NH2+]C[C@H](C)c1noc(-c2cccc([N+](=O)[O-])c2N2CCOCC2)n1 ZINC000842580632 595132256 /nfs/dbraw/zinc/13/22/56/595132256.db2.gz HFXXMOGPBBALRF-NSHDSACASA-N 1 0 347.375 1.804 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000843790661 595187112 /nfs/dbraw/zinc/18/71/12/595187112.db2.gz MWHVEQGGDVUCCY-UHFFFAOYSA-N 1 0 329.784 1.898 20 5 EDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000843882509 595208182 /nfs/dbraw/zinc/20/81/82/595208182.db2.gz PHMLHGCVFKERBF-LBPRGKRZSA-N 1 0 339.367 1.619 20 5 EDBDRO COc1cccc([C@@H](O)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000843067644 595279921 /nfs/dbraw/zinc/27/99/21/595279921.db2.gz GZVWLUUIAXPMDE-IRXDYDNUSA-N 1 0 332.356 1.960 20 5 EDBDRO Cc1ccccc1[C@@H](O)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000843075621 595281874 /nfs/dbraw/zinc/28/18/74/595281874.db2.gz URXYKVGFRAVOIL-PBHICJAKSA-N 1 0 346.383 1.966 20 5 EDBDRO CCO[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000846696575 595303530 /nfs/dbraw/zinc/30/35/30/595303530.db2.gz SVTWSCZHKUPANX-BXKDBHETSA-N 1 0 327.768 1.684 20 5 EDBDRO CC(C)[NH2+]C1(CO)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000846935194 595339501 /nfs/dbraw/zinc/33/95/01/595339501.db2.gz DVASOEYBQBZUJH-INIZCTEOSA-N 1 0 337.420 1.453 20 5 EDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000846961876 595343025 /nfs/dbraw/zinc/34/30/25/595343025.db2.gz PLRWFOWBFRAPGC-CHWSQXEVSA-N 1 0 325.340 1.812 20 5 EDBDRO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000848490343 595394610 /nfs/dbraw/zinc/39/46/10/595394610.db2.gz ZSQCYYOFPOVCFD-OIISXLGYSA-N 1 0 345.399 1.979 20 5 EDBDRO O=C(N1CCC12CC[NH2+]CC2)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764360 595599619 /nfs/dbraw/zinc/59/96/19/595599619.db2.gz QBRNBMZCIXJOGB-UHFFFAOYSA-N 1 0 341.314 1.921 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000853410823 595748545 /nfs/dbraw/zinc/74/85/45/595748545.db2.gz AAZDDFNDSWVVGE-JQWIXIFHSA-N 1 0 342.421 1.527 20 5 EDBDRO O=[N+]([O-])c1nn(CN2CC[C@@H]3COC[C@H]3C2)cc1Br ZINC000853586831 595815607 /nfs/dbraw/zinc/81/56/07/595815607.db2.gz BIIJOFHCOOKANS-RKDXNWHRSA-N 1 0 331.170 1.480 20 5 EDBDRO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000853589076 595817693 /nfs/dbraw/zinc/81/76/93/595817693.db2.gz KYDABVCYBOATLZ-ZOBUZTSGSA-N 1 0 345.399 1.837 20 5 EDBDRO CN1CC[NH+](CC2CN(c3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000858610960 595843169 /nfs/dbraw/zinc/84/31/69/595843169.db2.gz LCTXYQUFMIQCPD-UHFFFAOYSA-N 1 0 326.347 1.557 20 5 EDBDRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000861342521 595949455 /nfs/dbraw/zinc/94/94/55/595949455.db2.gz CVOBFDVMBJZXRQ-DOMZBBRYSA-N 1 0 340.380 1.179 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000861525373 596014509 /nfs/dbraw/zinc/01/45/09/596014509.db2.gz VHXXDJXRIMPIAV-SCZZXKLOSA-N 1 0 338.339 1.238 20 5 EDBDRO CC1(C)OC[C@H](CC[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)O1 ZINC000852151502 596062042 /nfs/dbraw/zinc/06/20/42/596062042.db2.gz IGQBOTMMHUBIPN-ZDUSSCGKSA-N 1 0 336.392 1.653 20 5 EDBDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852351036 596133871 /nfs/dbraw/zinc/13/38/71/596133871.db2.gz HFIOMHCQVRUBOM-NKKGCODLSA-N 1 0 338.404 1.784 20 5 EDBDRO [NH3+]CC1(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC000859616737 596147460 /nfs/dbraw/zinc/14/74/60/596147460.db2.gz RXZGAUIHPXPRKG-UHFFFAOYSA-N 1 0 328.756 1.878 20 5 EDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000861913023 596147796 /nfs/dbraw/zinc/14/77/96/596147796.db2.gz WXIBFZHOJZQWNP-ITGUQSILSA-N 1 0 325.315 1.705 20 5 EDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000854655484 596151872 /nfs/dbraw/zinc/15/18/72/596151872.db2.gz QDFBINAGNCGZPV-BXUZGUMPSA-N 1 0 331.376 1.496 20 5 EDBDRO O=C(CC[N@@H+]1CC[C@@H](N2CCOC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000852434304 596159133 /nfs/dbraw/zinc/15/91/33/596159133.db2.gz FMVLCXSSGLQLPN-GFCCVEGCSA-N 1 0 348.359 1.450 20 5 EDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000866523516 596240897 /nfs/dbraw/zinc/24/08/97/596240897.db2.gz DRIMVJVATLLBNT-DYVFJYSZSA-N 1 0 349.387 1.727 20 5 EDBDRO Cc1c([C@@H](C)[NH2+]C[C@@]23COC(=O)N2CCOC3)cccc1[N+](=O)[O-] ZINC000866523551 596241100 /nfs/dbraw/zinc/24/11/00/596241100.db2.gz FGUNOVNBORRFOT-MLGOLLRUSA-N 1 0 335.360 1.775 20 5 EDBDRO Cc1nn(CCC(=O)O[C@H](C[NH+](C)C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000870571237 596284307 /nfs/dbraw/zinc/28/43/07/596284307.db2.gz XTYQMCCDEIBSAX-CYBMUJFWSA-N 1 0 326.397 1.928 20 5 EDBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC000866823925 596366407 /nfs/dbraw/zinc/36/64/07/596366407.db2.gz JVPYIKNTNGKJKW-HUUCEWRRSA-N 1 0 339.417 1.293 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866832042 596371315 /nfs/dbraw/zinc/37/13/15/596371315.db2.gz XKWYOUXEAVNPAC-OLZOCXBDSA-N 1 0 325.390 1.418 20 5 EDBDRO C[C@@]([NH3+])(C(=O)NC[C@H]1CSCCS1)c1cccc([N+](=O)[O-])c1 ZINC000870902604 596396504 /nfs/dbraw/zinc/39/65/04/596396504.db2.gz VOFVCJJBEGYXJZ-JSGCOSHPSA-N 1 0 341.458 1.734 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000867815006 596566307 /nfs/dbraw/zinc/56/63/07/596566307.db2.gz WPVOAEVHGUVOEJ-HIFRSBDPSA-N 1 0 339.417 1.451 20 5 EDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000869776739 596628058 /nfs/dbraw/zinc/62/80/58/596628058.db2.gz TUHBBFUWUGALKN-LBPRGKRZSA-N 1 0 339.367 1.238 20 5 EDBDRO CCc1nn(C)c(N2CCC([NH+]3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000866212005 596829261 /nfs/dbraw/zinc/82/92/61/596829261.db2.gz HMYOYRDBXWHKMI-UHFFFAOYSA-N 1 0 336.440 1.107 20 5 EDBDRO C[N@@H+]1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CCC1(C)C ZINC000872695136 597035522 /nfs/dbraw/zinc/03/55/22/597035522.db2.gz DSKCEQDDMUSJOE-UHFFFAOYSA-N 1 0 334.376 1.876 20 5 EDBDRO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872786523 597067668 /nfs/dbraw/zinc/06/76/68/597067668.db2.gz HVJFIFCFFGQLIJ-LZWOXQAQSA-N 1 0 331.372 1.446 20 5 EDBDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000876568769 597244666 /nfs/dbraw/zinc/24/46/66/597244666.db2.gz RFIVJDZFPWIIMP-IUODEOHRSA-N 1 0 341.795 1.974 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000879576906 597639825 /nfs/dbraw/zinc/63/98/25/597639825.db2.gz YUMHYSDFZGQTOZ-HOCLYGCPSA-N 1 0 344.415 1.510 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000878661954 597670573 /nfs/dbraw/zinc/67/05/73/597670573.db2.gz KKTKNHYQQKUXHN-LBPRGKRZSA-N 1 0 325.369 1.262 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000880135025 597851793 /nfs/dbraw/zinc/85/17/93/597851793.db2.gz PZHUKLWDPBCDHM-HUUCEWRRSA-N 1 0 348.403 1.710 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000880135023 597851918 /nfs/dbraw/zinc/85/19/18/597851918.db2.gz PZHUKLWDPBCDHM-GJZGRUSLSA-N 1 0 348.403 1.710 20 5 EDBDRO COc1ccc(OCC[N@@H+](C)[C@@H]2CCOC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000880425014 597928655 /nfs/dbraw/zinc/92/86/55/597928655.db2.gz CWKVFYRAPQZAIO-CJNGLKHVSA-N 1 0 340.376 1.718 20 5 EDBDRO O=C1NCC[C@H]2CCC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)[C@H]12 ZINC000880525446 597954955 /nfs/dbraw/zinc/95/49/55/597954955.db2.gz HENSBINDIUBENQ-CJNGLKHVSA-N 1 0 333.388 1.964 20 5 EDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000882494216 597976724 /nfs/dbraw/zinc/97/67/24/597976724.db2.gz OUXRGUZXXOOBFD-CYBMUJFWSA-N 1 0 329.360 1.605 20 5 EDBDRO Cc1nonc1C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997423927 703671535 /nfs/dbraw/zinc/67/15/35/703671535.db2.gz XXNKSGDTQBGMNE-UHFFFAOYSA-N 1 0 345.359 1.681 20 5 EDBDRO Cc1csc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000997766900 704670674 /nfs/dbraw/zinc/67/06/74/704670674.db2.gz FAOSNBARJVGQNK-CHWSQXEVSA-N 1 0 338.433 1.445 20 5 EDBDRO CC(C)C[C@@H]1CN(C)CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000922026837 709452634 /nfs/dbraw/zinc/45/26/34/709452634.db2.gz RROYHXUVYMIZTJ-GFCCVEGCSA-N 1 0 342.421 1.341 20 5 EDBDRO CC(C)C[C@H]1CN(C)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000922026736 709452737 /nfs/dbraw/zinc/45/27/37/709452737.db2.gz RNKHINRZUKWPNY-LBPRGKRZSA-N 1 0 342.421 1.341 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1 ZINC000562996087 306315036 /nfs/dbraw/zinc/31/50/36/306315036.db2.gz HDDKELCIQOBAGS-MWQQHZPXSA-N 1 0 328.372 1.328 20 5 EDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000081031284 138265301 /nfs/dbraw/zinc/26/53/01/138265301.db2.gz OBGPKHPCUFAJDW-SNAWJCMRSA-N 1 0 345.399 1.931 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC(=O)NC(C)C ZINC000026259571 202139637 /nfs/dbraw/zinc/13/96/37/202139637.db2.gz SFCVSJKHYLMOKL-UHFFFAOYSA-N 1 0 336.392 1.688 20 5 EDBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000104067454 138299650 /nfs/dbraw/zinc/29/96/50/138299650.db2.gz OBKZROTVGQHMHZ-MRXNPFEDSA-N 1 0 332.404 1.509 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000107630950 138304499 /nfs/dbraw/zinc/30/44/99/138304499.db2.gz JUYXZPLUODXMGW-CYBMUJFWSA-N 1 0 335.408 1.727 20 5 EDBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000109846418 138306765 /nfs/dbraw/zinc/30/67/65/138306765.db2.gz ANHNQJSSXWOXFN-OAHLLOKOSA-N 1 0 336.392 1.953 20 5 EDBDRO CC(C)[NH2+]CCCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000563598298 306340982 /nfs/dbraw/zinc/34/09/82/306340982.db2.gz GUXUQAFHXCQBFG-UHFFFAOYSA-N 1 0 349.435 1.815 20 5 EDBDRO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000131985905 138368989 /nfs/dbraw/zinc/36/89/89/138368989.db2.gz FKZLYXGAGWFUSR-SECBINFHSA-N 1 0 338.368 1.823 20 5 EDBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000161519905 138643691 /nfs/dbraw/zinc/64/36/91/138643691.db2.gz BNBQNBJKCGURRJ-ZDUSSCGKSA-N 1 0 336.396 1.061 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000377537735 283367823 /nfs/dbraw/zinc/36/78/23/283367823.db2.gz NPSTUOYYKKTJAK-RISCZKNCSA-N 1 0 349.391 1.002 20 5 EDBDRO CC1(CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000564316220 306357971 /nfs/dbraw/zinc/35/79/71/306357971.db2.gz ZQSKXTDOMFDSGH-UHFFFAOYSA-N 1 0 327.406 1.564 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000041240548 201091391 /nfs/dbraw/zinc/09/13/91/201091391.db2.gz UJJDQOIWXUOXPM-UHFFFAOYSA-N 1 0 332.360 1.276 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1OC ZINC000153495147 201395169 /nfs/dbraw/zinc/39/51/69/201395169.db2.gz XVXPBPPKFDPQIB-PHIMTYICSA-N 1 0 337.376 1.825 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000155181790 201397714 /nfs/dbraw/zinc/39/77/14/201397714.db2.gz PRPWPUTUOJFUMI-AWEZNQCLSA-N 1 0 325.390 1.110 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC000565833644 306392903 /nfs/dbraw/zinc/39/29/03/306392903.db2.gz NHLHXQZYYGEMBM-KBPBESRZSA-N 1 0 341.433 1.918 20 5 EDBDRO C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000081266249 296095242 /nfs/dbraw/zinc/09/52/42/296095242.db2.gz JYMJWTDSYUOLRM-TZMCWYRMSA-N 1 0 348.403 1.182 20 5 EDBDRO C[NH+](C)CCc1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000566440211 306413200 /nfs/dbraw/zinc/41/32/00/306413200.db2.gz AYQRBANNRLVPRU-UHFFFAOYSA-N 1 0 331.376 1.325 20 5 EDBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000194764153 139000093 /nfs/dbraw/zinc/00/00/93/139000093.db2.gz ZWCRXYKUIFWFKN-HNNXBMFYSA-N 1 0 349.435 1.762 20 5 EDBDRO Cc1nn(C)c(C)c1CN1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000101557044 204009145 /nfs/dbraw/zinc/00/91/45/204009145.db2.gz ZZBOQCKXRLADET-UHFFFAOYSA-N 1 0 330.392 1.662 20 5 EDBDRO C[NH+](C)CCCOc1ccc(CNc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC000103135183 204063517 /nfs/dbraw/zinc/06/35/17/204063517.db2.gz QBDZOZAHEGZWQN-UHFFFAOYSA-N 1 0 346.391 1.910 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]([NH+](C)C)C1 ZINC000109808490 204293473 /nfs/dbraw/zinc/29/34/73/204293473.db2.gz JYVKUXBEZWYEQQ-ZDUSSCGKSA-N 1 0 336.392 1.568 20 5 EDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000109850245 204294867 /nfs/dbraw/zinc/29/48/67/204294867.db2.gz SWNSVKWRVJSBKK-GFCCVEGCSA-N 1 0 329.360 1.462 20 5 EDBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000195140022 139007684 /nfs/dbraw/zinc/00/76/84/139007684.db2.gz WXIQXUUIYRBDSY-BMIGLBTASA-N 1 0 339.392 1.644 20 5 EDBDRO CC(C)([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000236648081 139027589 /nfs/dbraw/zinc/02/75/89/139027589.db2.gz ANEFYPVHLXXBQK-UHFFFAOYSA-N 1 0 341.311 1.629 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000155419365 205013736 /nfs/dbraw/zinc/01/37/36/205013736.db2.gz SEFODUPWSJNXTC-HIFRSBDPSA-N 1 0 332.404 1.949 20 5 EDBDRO COc1ccc(C(=O)N2CCC(OCCC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000237347776 139048714 /nfs/dbraw/zinc/04/87/14/139048714.db2.gz CKVJUROOJYRACV-UHFFFAOYSA-N 1 0 337.376 1.573 20 5 EDBDRO CCC1(CO)CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000128159286 205135260 /nfs/dbraw/zinc/13/52/60/205135260.db2.gz JEBAVCYRXNDDFE-HNNXBMFYSA-N 1 0 338.404 1.819 20 5 EDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000237478222 139052290 /nfs/dbraw/zinc/05/22/90/139052290.db2.gz PWLHOTQKWGEVSA-KCJUWKMLSA-N 1 0 327.768 1.869 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000131615061 205297740 /nfs/dbraw/zinc/29/77/40/205297740.db2.gz QOMIBOCYROWOOC-INIZCTEOSA-N 1 0 335.404 1.490 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000132617972 205334966 /nfs/dbraw/zinc/33/49/66/205334966.db2.gz KYAIMNXEZTYANR-OCCSQVGLSA-N 1 0 343.387 1.958 20 5 EDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000238026442 139066930 /nfs/dbraw/zinc/06/69/30/139066930.db2.gz UHZWMSYHMRFKSV-UHFFFAOYSA-N 1 0 330.348 1.041 20 5 EDBDRO C[C@H](CCO)[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245547343 139078822 /nfs/dbraw/zinc/07/88/22/139078822.db2.gz XMWUECJXNWOFQH-RHSMWYFYSA-N 1 0 348.403 1.425 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000245793773 139086288 /nfs/dbraw/zinc/08/62/88/139086288.db2.gz DHWLWIJLDHJWEP-CVEARBPZSA-N 1 0 332.404 1.726 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000245803316 139086515 /nfs/dbraw/zinc/08/65/15/139086515.db2.gz BLCJHAHFSWQBRS-OLZOCXBDSA-N 1 0 348.403 1.818 20 5 EDBDRO CC[N@@H+]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000158262042 206181964 /nfs/dbraw/zinc/18/19/64/206181964.db2.gz XUCYWSPWIPOSSS-UHFFFAOYSA-N 1 0 332.404 1.512 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000246989606 139129904 /nfs/dbraw/zinc/12/99/04/139129904.db2.gz UZHOLVHXRKGFIZ-UONOGXRCSA-N 1 0 334.420 1.830 20 5 EDBDRO Cn1cccc1C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000161825487 206372790 /nfs/dbraw/zinc/37/27/90/206372790.db2.gz MVFHPYPHRHEYLZ-UHFFFAOYSA-N 1 0 338.389 1.001 20 5 EDBDRO CNC(=O)[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000247727378 139154516 /nfs/dbraw/zinc/15/45/16/139154516.db2.gz SVTHCWATACOBJL-WFASDCNBSA-N 1 0 346.387 1.158 20 5 EDBDRO C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000248834923 139176998 /nfs/dbraw/zinc/17/69/98/139176998.db2.gz NQHTZBVGUVIPNH-DZGCQCFKSA-N 1 0 342.355 1.871 20 5 EDBDRO COCC[C@@](C)(O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000172069817 206785249 /nfs/dbraw/zinc/78/52/49/206785249.db2.gz LOKHSTAPIDKLII-QGZVFWFLSA-N 1 0 348.403 1.872 20 5 EDBDRO CN(C)S(=O)(=O)c1ccc(NC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000261720642 139220433 /nfs/dbraw/zinc/22/04/33/139220433.db2.gz LVZUXEZLPRPOTE-NSHDSACASA-N 1 0 342.421 1.257 20 5 EDBDRO C[NH2+][C@H](C)Cc1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000261752961 139223275 /nfs/dbraw/zinc/22/32/75/139223275.db2.gz LWYNPAADNFYMCG-SNVBAGLBSA-N 1 0 328.332 1.981 20 5 EDBDRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261749113 139222838 /nfs/dbraw/zinc/22/28/38/139222838.db2.gz PWYMJJFYFUBMMQ-LBPRGKRZSA-N 1 0 347.824 1.915 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CCC[C@@H]([NH2+]C)C2)c([N+](=O)[O-])c1 ZINC000261824539 139229303 /nfs/dbraw/zinc/22/93/03/139229303.db2.gz UWABCVJAKXQAAM-GFCCVEGCSA-N 1 0 336.392 1.616 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261813523 139228182 /nfs/dbraw/zinc/22/81/82/139228182.db2.gz AAAWPWSRELIYGM-TZMCWYRMSA-N 1 0 325.390 1.108 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000261862174 139232239 /nfs/dbraw/zinc/23/22/39/139232239.db2.gz KLDWZILBYJVHLP-AWEZNQCLSA-N 1 0 343.405 1.271 20 5 EDBDRO COCC1(CNC(=O)c2cc([N+](=O)[O-])ccc2OC)CC[NH2+]CC1 ZINC000261838597 139230356 /nfs/dbraw/zinc/23/03/56/139230356.db2.gz ZVFRGZFLPLNHLW-UHFFFAOYSA-N 1 0 337.376 1.349 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000261930324 139237975 /nfs/dbraw/zinc/23/79/75/139237975.db2.gz JMTDBVOLCCNKPD-GFCCVEGCSA-N 1 0 327.406 1.653 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000261910454 139236209 /nfs/dbraw/zinc/23/62/09/139236209.db2.gz XNJKONFLGPXCRO-NWDGAFQWSA-N 1 0 337.376 1.568 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000261916989 139236802 /nfs/dbraw/zinc/23/68/02/139236802.db2.gz HFFYNKXQADFUKD-JTQLQIEISA-N 1 0 347.824 1.977 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc([N+](=O)[O-])c1OC ZINC000261918774 139236931 /nfs/dbraw/zinc/23/69/31/139236931.db2.gz YOSZOPPHNPETMJ-PWSUYJOCSA-N 1 0 337.376 1.811 20 5 EDBDRO CS(=O)(=O)c1cccc(NCC[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000262066641 139248049 /nfs/dbraw/zinc/24/80/49/139248049.db2.gz FMMJWPZFMFDVMC-LLVKDONJSA-N 1 0 327.406 1.800 20 5 EDBDRO C[C@H]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000174314616 207010742 /nfs/dbraw/zinc/01/07/42/207010742.db2.gz QELSJPYNAWFNIB-NWDGAFQWSA-N 1 0 327.406 1.651 20 5 EDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415463215 250949167 /nfs/dbraw/zinc/94/91/67/250949167.db2.gz QDVSHFGUKVPGRJ-GZMMTYOYSA-N 1 0 340.767 1.430 20 5 EDBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC[N@@H+]1C[C@@H](C)O ZINC000174624075 207039666 /nfs/dbraw/zinc/03/96/66/207039666.db2.gz SPBHBMBKPJDUMY-ZIAGYGMSSA-N 1 0 335.404 1.820 20 5 EDBDRO Cc1cccc(OCC[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000174695358 207047541 /nfs/dbraw/zinc/04/75/41/207047541.db2.gz OADHKGLWTDNOIO-HNNXBMFYSA-N 1 0 334.376 1.471 20 5 EDBDRO COc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174706335 207047719 /nfs/dbraw/zinc/04/77/19/207047719.db2.gz NVJWNKXEFREBAE-DOTOQJQBSA-N 1 0 346.387 1.998 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000415558254 251011576 /nfs/dbraw/zinc/01/15/76/251011576.db2.gz JPGYJHDYFZJMPK-GHMZBOCLSA-N 1 0 334.376 1.359 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000262394789 139275939 /nfs/dbraw/zinc/27/59/39/139275939.db2.gz BTHGQRJAQTWKNY-NWDGAFQWSA-N 1 0 325.390 1.133 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417759864 251259521 /nfs/dbraw/zinc/25/95/21/251259521.db2.gz FHLQTCCEVJWBHE-KRWDZBQOSA-N 1 0 332.404 1.922 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)n1 ZINC000176245964 207206419 /nfs/dbraw/zinc/20/64/19/207206419.db2.gz NUZXSUVQMDCNGV-GFCCVEGCSA-N 1 0 331.380 1.209 20 5 EDBDRO CC[C@H](NC(=O)NCCN1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000417848268 251296961 /nfs/dbraw/zinc/29/69/61/251296961.db2.gz KKHGTYYBEXTJOS-HNNXBMFYSA-N 1 0 335.408 1.250 20 5 EDBDRO NS(=O)(=O)c1ccc(N[C@@H](C[NH3+])C2CCCC2)c([N+](=O)[O-])c1 ZINC000262548652 139285777 /nfs/dbraw/zinc/28/57/77/139285777.db2.gz SBEQGADWMFXJFE-LBPRGKRZSA-N 1 0 328.394 1.172 20 5 EDBDRO COCC1(CNc2nc3sccn3c2[N+](=O)[O-])CC[NH2+]CC1 ZINC000262559369 139286457 /nfs/dbraw/zinc/28/64/57/139286457.db2.gz UXZIEVWVBSTGIH-UHFFFAOYSA-N 1 0 325.394 1.732 20 5 EDBDRO Cn1cc(C(=O)NCC[C@H]2CC[NH2+]C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262589038 139288749 /nfs/dbraw/zinc/28/87/49/139288749.db2.gz QGXDJZOGDVRJPA-GFCCVEGCSA-N 1 0 343.387 1.725 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CC[NH2+]C2)cc1OC ZINC000262581929 139288297 /nfs/dbraw/zinc/28/82/97/139288297.db2.gz MLYQUVOLUOXQKL-NSHDSACASA-N 1 0 337.376 1.732 20 5 EDBDRO Cn1ccnc1C(=O)c1ccc(NCC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420180589 251633670 /nfs/dbraw/zinc/63/36/70/251633670.db2.gz BSQQXLPJSRFCSL-GFCCVEGCSA-N 1 0 343.387 1.971 20 5 EDBDRO Cc1nn(CCC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000177503234 207345297 /nfs/dbraw/zinc/34/52/97/207345297.db2.gz MNMMBTUEIGQHNJ-KGLIPLIRSA-N 1 0 337.424 1.787 20 5 EDBDRO [NH3+]C1CCC(OCC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000569599647 306512764 /nfs/dbraw/zinc/51/27/64/306512764.db2.gz VXIDBUOCWSRQTQ-UHFFFAOYSA-N 1 0 337.376 1.376 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000262816962 139305748 /nfs/dbraw/zinc/30/57/48/139305748.db2.gz ZOPXQSYAAYTKGZ-UFBFGSQYSA-N 1 0 347.824 1.833 20 5 EDBDRO COC(=O)c1cc(NC(=O)N2CCC[C@H]([NH3+])C2)c(C)c([N+](=O)[O-])c1 ZINC000415597786 304236117 /nfs/dbraw/zinc/23/61/17/304236117.db2.gz JUUDNJVHBXAASF-NSHDSACASA-N 1 0 336.348 1.645 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000415601839 304236709 /nfs/dbraw/zinc/23/67/09/304236709.db2.gz LNWBJCLCJWEHAY-IACUBPJLSA-N 1 0 346.387 1.291 20 5 EDBDRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)c2[nH]ncc2[N+](=O)[O-])cc1 ZINC000423514455 252057628 /nfs/dbraw/zinc/05/76/28/252057628.db2.gz SGCPAGARVYWCEQ-CHWSQXEVSA-N 1 0 345.359 1.202 20 5 EDBDRO COC(=O)c1cc(NC(=O)NC[C@@H]2CCC[NH2+]2)c(C)c([N+](=O)[O-])c1 ZINC000415604847 304237412 /nfs/dbraw/zinc/23/74/12/304237412.db2.gz WNVRFJFLSOUKOL-NSHDSACASA-N 1 0 336.348 1.563 20 5 EDBDRO Cc1sc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000424229354 252173227 /nfs/dbraw/zinc/17/32/27/252173227.db2.gz WZGYNXNHYMQHII-WDEREUQCSA-N 1 0 335.389 1.265 20 5 EDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000133766454 532950018 /nfs/dbraw/zinc/95/00/18/532950018.db2.gz AEIQCJNDARSGQT-GFCCVEGCSA-N 1 0 329.360 1.605 20 5 EDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000178802436 207534890 /nfs/dbraw/zinc/53/48/90/207534890.db2.gz VQKFNKGVXFNKQN-NSHDSACASA-N 1 0 344.375 1.375 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000415683353 304256026 /nfs/dbraw/zinc/25/60/26/304256026.db2.gz SNWBWKFUOUKKFL-VXGBXAGGSA-N 1 0 334.376 1.407 20 5 EDBDRO COc1cc(OCC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000185197831 533090067 /nfs/dbraw/zinc/09/00/67/533090067.db2.gz WQFQVGQGUFLGAM-CYZMBNFOSA-N 1 0 335.360 1.178 20 5 EDBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420242734 285158180 /nfs/dbraw/zinc/15/81/80/285158180.db2.gz CCDSXMHQGSWMRM-ZDUSSCGKSA-N 1 0 327.388 1.627 20 5 EDBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC1(C)C ZINC000486941789 255020316 /nfs/dbraw/zinc/02/03/16/255020316.db2.gz RPVFFPGEGZHBOM-BXUZGUMPSA-N 1 0 341.433 1.897 20 5 EDBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC1(C)C ZINC000486941791 255020475 /nfs/dbraw/zinc/02/04/75/255020475.db2.gz RPVFFPGEGZHBOM-RISCZKNCSA-N 1 0 341.433 1.897 20 5 EDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000487880529 255038553 /nfs/dbraw/zinc/03/85/53/255038553.db2.gz YMNWZZODACAGIJ-CQSZACIVSA-N 1 0 327.356 1.821 20 5 EDBDRO COC(=O)CN(C)C(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490052083 255077076 /nfs/dbraw/zinc/07/70/76/255077076.db2.gz YFSKIIMMKANXKN-UHFFFAOYSA-N 1 0 349.387 1.581 20 5 EDBDRO COCC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000490086262 255078798 /nfs/dbraw/zinc/07/87/98/255078798.db2.gz XJLKWGRRFHVHAI-HUUCEWRRSA-N 1 0 340.376 1.072 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000491508899 255127245 /nfs/dbraw/zinc/12/72/45/255127245.db2.gz ZKBHBOONDANBCM-XVJNWHFHSA-N 1 0 333.388 1.835 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCO[C@@H]2C2CC2)cc1 ZINC000494442352 255251008 /nfs/dbraw/zinc/25/10/08/255251008.db2.gz CZJPHANXFMJYLP-HUUCEWRRSA-N 1 0 340.401 1.526 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000495185125 255271628 /nfs/dbraw/zinc/27/16/28/255271628.db2.gz SJZFMMVBYKXKJM-GFCCVEGCSA-N 1 0 348.407 1.375 20 5 EDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000570722194 306549290 /nfs/dbraw/zinc/54/92/90/306549290.db2.gz DHQOSOQDJRHTRI-NWDGAFQWSA-N 1 0 336.392 1.287 20 5 EDBDRO CC[NH2+]Cc1cccc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)c1 ZINC000415915128 304285232 /nfs/dbraw/zinc/28/52/32/304285232.db2.gz YHLYBQNQRKJIIS-UHFFFAOYSA-N 1 0 332.364 1.723 20 5 EDBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000344792618 533408253 /nfs/dbraw/zinc/40/82/53/533408253.db2.gz KXFAEWLFJCXFTG-FMIVXFBMSA-N 1 0 329.360 1.741 20 5 EDBDRO CCCc1n[nH]c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1[N+](=O)[O-] ZINC000267115307 139583268 /nfs/dbraw/zinc/58/32/68/139583268.db2.gz OGEAUJKWNKPZRV-AWEZNQCLSA-N 1 0 341.437 1.438 20 5 EDBDRO CC[NH+](CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268481263 139787291 /nfs/dbraw/zinc/78/72/91/139787291.db2.gz LLXJLTKIEFPHBY-UHFFFAOYSA-N 1 0 335.408 1.289 20 5 EDBDRO Cc1c(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000269251962 139902596 /nfs/dbraw/zinc/90/25/96/139902596.db2.gz ZZEFPCXKJCHGGP-WDEREUQCSA-N 1 0 336.348 1.929 20 5 EDBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)CC1 ZINC000270044520 140037979 /nfs/dbraw/zinc/03/79/79/140037979.db2.gz BDCZEAULNZTLLK-CQSZACIVSA-N 1 0 332.404 1.981 20 5 EDBDRO C[NH+]1CCC(O)(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000270345337 140082872 /nfs/dbraw/zinc/08/28/72/140082872.db2.gz QKZHDFQHCOUELZ-UHFFFAOYSA-N 1 0 346.387 1.192 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1CCC(C[NH3+])CC1 ZINC000323662616 140662373 /nfs/dbraw/zinc/66/23/73/140662373.db2.gz CVOAWJBLXSTCNQ-UHFFFAOYSA-N 1 0 341.433 1.947 20 5 EDBDRO CCC[NH+]1CCC(N(C)C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC000331256470 141000630 /nfs/dbraw/zinc/00/06/30/141000630.db2.gz BNTICOFAGICXKC-UHFFFAOYSA-N 1 0 336.392 1.089 20 5 EDBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331663285 141064094 /nfs/dbraw/zinc/06/40/94/141064094.db2.gz NXPCVSXEGFBGGX-STQMWFEESA-N 1 0 335.408 1.828 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 ZINC000339382998 142032612 /nfs/dbraw/zinc/03/26/12/142032612.db2.gz UEHKCABWXIOCEI-JKSUJKDBSA-N 1 0 345.403 1.766 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000342724012 142749760 /nfs/dbraw/zinc/74/97/60/142749760.db2.gz BRUYPJVUTBJYPU-JKSUJKDBSA-N 1 0 349.431 1.895 20 5 EDBDRO CO[C@@H]1C[C@@H](CN(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[N@H+](C)C1 ZINC000346697285 143233344 /nfs/dbraw/zinc/23/33/44/143233344.db2.gz BTQBUPBMTZLPHE-QWHCGFSZSA-N 1 0 346.387 1.867 20 5 EDBDRO C[C@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000347104141 143283179 /nfs/dbraw/zinc/28/31/79/143283179.db2.gz ZBMIRUWRHDXYSI-SMDDNHRTSA-N 1 0 347.371 1.868 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCOCC[NH+](C)C ZINC000347165931 143290003 /nfs/dbraw/zinc/29/00/03/143290003.db2.gz AMNDXNLNPIALQI-UHFFFAOYSA-N 1 0 345.421 1.068 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)n1 ZINC000347324452 143308779 /nfs/dbraw/zinc/30/87/79/143308779.db2.gz DABMHFGWPPNWQS-IAQYHMDHSA-N 1 0 348.363 1.787 20 5 EDBDRO COC[C@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000347789048 143363371 /nfs/dbraw/zinc/36/33/71/143363371.db2.gz SACAJSAHGMEHMC-ZDUSSCGKSA-N 1 0 335.360 1.907 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000348174311 143409551 /nfs/dbraw/zinc/40/95/51/143409551.db2.gz XIMCRZHMCBKUHI-ZIAGYGMSSA-N 1 0 348.403 1.736 20 5 EDBDRO O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000573088490 306611369 /nfs/dbraw/zinc/61/13/69/306611369.db2.gz RFXSPYPNSSOUJC-UHFFFAOYSA-N 1 0 341.371 1.872 20 5 EDBDRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000353376017 149384012 /nfs/dbraw/zinc/38/40/12/149384012.db2.gz CGRFTOIZUDPXKG-RYUDHWBXSA-N 1 0 336.392 1.768 20 5 EDBDRO CC[N@@H+]1CC[C@@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000355617804 150338894 /nfs/dbraw/zinc/33/88/94/150338894.db2.gz KCAKTSNGJIXUKT-CYBMUJFWSA-N 1 0 327.406 1.151 20 5 EDBDRO COC(=O)COc1ccc(C[N@H+](C)C[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000355733016 150379483 /nfs/dbraw/zinc/37/94/83/150379483.db2.gz SBYXZVYAHJKTBF-ZDUSSCGKSA-N 1 0 338.360 1.615 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000357832417 151165559 /nfs/dbraw/zinc/16/55/59/151165559.db2.gz BREFMAJFOPKBCU-GFCCVEGCSA-N 1 0 337.376 1.636 20 5 EDBDRO CC1=CCN(CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000357908555 151191272 /nfs/dbraw/zinc/19/12/72/151191272.db2.gz RWOSQIIUHPKIFH-UHFFFAOYSA-N 1 0 339.417 1.666 20 5 EDBDRO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357910758 151192645 /nfs/dbraw/zinc/19/26/45/151192645.db2.gz IGSIPXPNXCQQDX-AWEZNQCLSA-N 1 0 343.387 1.819 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(-c2nc(CC3=[NH+][C@@H]4CCCC[C@H]4N3)no2)n1 ZINC000357950927 151208392 /nfs/dbraw/zinc/20/83/92/151208392.db2.gz LGJAIUYUKMNQIT-RKDXNWHRSA-N 1 0 331.336 1.234 20 5 EDBDRO O=[N+]([O-])c1ccn(Cc2nc(CC3=[NH+][C@H]4CCCC[C@@H]4N3)no2)n1 ZINC000357955293 151209408 /nfs/dbraw/zinc/20/94/08/151209408.db2.gz WXVZRTWARUEXRL-UWVGGRQHSA-N 1 0 331.336 1.078 20 5 EDBDRO C[NH+](C)CCOCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000358004549 151232073 /nfs/dbraw/zinc/23/20/73/151232073.db2.gz PBYFJAHDRLGDFP-UHFFFAOYSA-N 1 0 341.383 1.706 20 5 EDBDRO CCOCCOC[C@@H](O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000358018838 151237308 /nfs/dbraw/zinc/23/73/08/151237308.db2.gz QRIILDAWBCDTLU-AWEZNQCLSA-N 1 0 349.387 1.699 20 5 EDBDRO C[NH+](C)[C@]1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCSC1 ZINC000358414959 151367092 /nfs/dbraw/zinc/36/70/92/151367092.db2.gz QUQBOGFCULQOKQ-HNNXBMFYSA-N 1 0 341.408 1.830 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000360467663 152056777 /nfs/dbraw/zinc/05/67/77/152056777.db2.gz GCRBTVXMXGYYNA-STQMWFEESA-N 1 0 341.433 1.973 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000361429960 152393557 /nfs/dbraw/zinc/39/35/57/152393557.db2.gz LLKFBJGAZZSGIU-INIZCTEOSA-N 1 0 346.431 1.755 20 5 EDBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)C1 ZINC000370154576 155351265 /nfs/dbraw/zinc/35/12/65/155351265.db2.gz ACMVTFDLMYGWDS-ZDUSSCGKSA-N 1 0 347.419 1.029 20 5 EDBDRO C[NH+](C)CCN1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000363566247 153002607 /nfs/dbraw/zinc/00/26/07/153002607.db2.gz OOSOXJQNLYCRCW-UHFFFAOYSA-N 1 0 334.420 1.233 20 5 EDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363690475 153030754 /nfs/dbraw/zinc/03/07/54/153030754.db2.gz IGWLPHKELCVELK-AUPUMLSVSA-N 1 0 331.372 1.587 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000370202013 155375515 /nfs/dbraw/zinc/37/55/15/155375515.db2.gz RQSPKAGMCIFBMB-MRXNPFEDSA-N 1 0 335.404 1.900 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)ccc1[N+](=O)[O-] ZINC000364184649 153165786 /nfs/dbraw/zinc/16/57/86/153165786.db2.gz SJYYZKYFMVHWGC-CABCVRRESA-N 1 0 339.417 1.795 20 5 EDBDRO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000364216691 153178124 /nfs/dbraw/zinc/17/81/24/153178124.db2.gz SCURKZPHXHYYJJ-RDJZCZTQSA-N 1 0 330.388 1.243 20 5 EDBDRO Cc1cc(C2=CC[N@H+](CCC(=O)NC(N)=O)CC2)cc([N+](=O)[O-])c1N ZINC000364361061 153216549 /nfs/dbraw/zinc/21/65/49/153216549.db2.gz KJBTWBQLXQIOBF-UHFFFAOYSA-N 1 0 347.375 1.160 20 5 EDBDRO NC(=O)[C@@]1(O)CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000367493729 154148213 /nfs/dbraw/zinc/14/82/13/154148213.db2.gz VLNNODMJNLLTQX-QGZVFWFLSA-N 1 0 345.355 1.667 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000367694052 154232117 /nfs/dbraw/zinc/23/21/17/154232117.db2.gz BAFOCCIWPUMKMP-GOEBONIOSA-N 1 0 332.404 1.873 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000367820603 154284532 /nfs/dbraw/zinc/28/45/32/154284532.db2.gz CWESGSHSYFLNAW-CYBMUJFWSA-N 1 0 325.390 1.324 20 5 EDBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000371825613 156124597 /nfs/dbraw/zinc/12/45/97/156124597.db2.gz WUMBBYPPAPWYEN-SJORKVTESA-N 1 0 335.404 1.777 20 5 EDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@]2(N3CCOCC3)CCCOC2)cs1 ZINC000372006031 156206611 /nfs/dbraw/zinc/20/66/11/156206611.db2.gz GSYSUNDGEFWFAY-OAHLLOKOSA-N 1 0 341.433 1.627 20 5 EDBDRO Cc1c(C(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000372430056 156386722 /nfs/dbraw/zinc/38/67/22/156386722.db2.gz YLEHLSJHLLMTQP-RTCCRHLQSA-N 1 0 334.332 1.906 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2[C@H]2COCC[C@H]2O)cc1 ZINC000374180198 157181868 /nfs/dbraw/zinc/18/18/68/157181868.db2.gz ZDBIQMIQEGZEOY-BRWVUGGUSA-N 1 0 336.388 1.835 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000378408417 158166357 /nfs/dbraw/zinc/16/63/57/158166357.db2.gz ZJASZCCLJVRBIW-ZDUSSCGKSA-N 1 0 335.408 1.666 20 5 EDBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000408051153 158250380 /nfs/dbraw/zinc/25/03/80/158250380.db2.gz IIGLLUISTXKCBC-XQQFMLRXSA-N 1 0 335.408 1.806 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@H]1CC[NH3+] ZINC000352508568 162218818 /nfs/dbraw/zinc/21/88/18/162218818.db2.gz HSGYKZLTSWVUSG-LBPRGKRZSA-N 1 0 336.392 1.745 20 5 EDBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000067612507 287246341 /nfs/dbraw/zinc/24/63/41/287246341.db2.gz GAEFEZOOILRAEZ-CQSZACIVSA-N 1 0 348.447 1.907 20 5 EDBDRO C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000133251316 287536710 /nfs/dbraw/zinc/53/67/10/287536710.db2.gz GTXKRGPVMKZHCG-NSHDSACASA-N 1 0 336.392 1.626 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000237579968 273011018 /nfs/dbraw/zinc/01/10/18/273011018.db2.gz VORKFRBNVAUELB-UHFFFAOYSA-N 1 0 346.391 1.181 20 5 EDBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000238147300 273014782 /nfs/dbraw/zinc/01/47/82/273014782.db2.gz IZFWRJKJGSKFSW-LBPRGKRZSA-N 1 0 344.375 1.295 20 5 EDBDRO COC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000273308478 268021305 /nfs/dbraw/zinc/02/13/05/268021305.db2.gz TVWNLFVWGPYIEV-CQSZACIVSA-N 1 0 330.406 1.629 20 5 EDBDRO Cc1nn(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000273328829 268026804 /nfs/dbraw/zinc/02/68/04/268026804.db2.gz IUBOOJIBEMTCSC-AWEZNQCLSA-N 1 0 331.376 1.519 20 5 EDBDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000273477245 268048052 /nfs/dbraw/zinc/04/80/52/268048052.db2.gz PTJJLDSOFIUBRE-LBPRGKRZSA-N 1 0 340.355 1.702 20 5 EDBDRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000273904280 268091835 /nfs/dbraw/zinc/09/18/35/268091835.db2.gz ICGGRRBPECPHTR-CYBMUJFWSA-N 1 0 345.446 1.310 20 5 EDBDRO O=[N+]([O-])c1ccc2c(c1N1CC[C@@H](C[NH+]3CCOCC3)C1)CCN2 ZINC000275460344 268345633 /nfs/dbraw/zinc/34/56/33/268345633.db2.gz YSQAJQAJKTYJRP-ZDUSSCGKSA-N 1 0 332.404 1.721 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000276048026 268394061 /nfs/dbraw/zinc/39/40/61/268394061.db2.gz SVVHIKBMWKBVIH-CYBMUJFWSA-N 1 0 348.403 1.560 20 5 EDBDRO CN(CC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000274297450 273083063 /nfs/dbraw/zinc/08/30/63/273083063.db2.gz GVHGYHNYZCFWAH-UHFFFAOYSA-N 1 0 338.389 1.325 20 5 EDBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000277957633 273238436 /nfs/dbraw/zinc/23/84/36/273238436.db2.gz KDTODZOOMOWZEL-GFCCVEGCSA-N 1 0 341.795 1.959 20 5 EDBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279809351 273328831 /nfs/dbraw/zinc/32/88/31/273328831.db2.gz PRWFPFNZLZQVGN-RRFJBIMHSA-N 1 0 338.404 1.960 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@](C)(O)C[NH+](C)C ZINC000281110489 273437331 /nfs/dbraw/zinc/43/73/31/273437331.db2.gz GHMVQTVLDJURGZ-HNNXBMFYSA-N 1 0 325.365 1.414 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000282515940 273668100 /nfs/dbraw/zinc/66/81/00/273668100.db2.gz XTVHEBUHJYTGQG-YPMHNXCESA-N 1 0 334.376 1.489 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000266203313 273771159 /nfs/dbraw/zinc/77/11/59/273771159.db2.gz OXWUWGFXNMGRPV-LLVKDONJSA-N 1 0 329.422 1.776 20 5 EDBDRO CN(C)S(=O)(=O)c1ccc(N2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261740239 273803492 /nfs/dbraw/zinc/80/34/92/273803492.db2.gz NYYOTTDZKWGHDM-NSHDSACASA-N 1 0 342.421 1.020 20 5 EDBDRO C[NH+]1CCC2(CCCN(c3ccc4ncc([N+](=O)[O-])n4n3)C2)CC1 ZINC000369866039 273872437 /nfs/dbraw/zinc/87/24/37/273872437.db2.gz WVCZGSVGMPMANM-UHFFFAOYSA-N 1 0 330.392 1.950 20 5 EDBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000284333854 274165003 /nfs/dbraw/zinc/16/50/03/274165003.db2.gz MMARKACOMDKPAT-OAHLLOKOSA-N 1 0 347.375 1.219 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000284377919 274181084 /nfs/dbraw/zinc/18/10/84/274181084.db2.gz FJUABELIAONCAR-YCPHGPKFSA-N 1 0 336.388 1.978 20 5 EDBDRO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000184799168 274261353 /nfs/dbraw/zinc/26/13/53/274261353.db2.gz AGMBKNXXVSUMJP-SWHYSGLUSA-N 1 0 334.376 1.556 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186703656 274306734 /nfs/dbraw/zinc/30/67/34/274306734.db2.gz XEPWBUZIVFGYBG-ABAIWWIYSA-N 1 0 329.360 1.508 20 5 EDBDRO O=C1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2(CCC2)N1 ZINC000284848021 274357803 /nfs/dbraw/zinc/35/78/03/274357803.db2.gz RJFMIEOUWYMJHX-ZDUSSCGKSA-N 1 0 334.332 1.794 20 5 EDBDRO C[C@@H]1CN(c2ccc(I)cc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000261541047 274363800 /nfs/dbraw/zinc/36/38/00/274363800.db2.gz IYDWEJUKPBTCJR-VXNVDRBHSA-N 1 0 347.156 1.983 20 5 EDBDRO C[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000376446888 274363959 /nfs/dbraw/zinc/36/39/59/274363959.db2.gz DLPYBZKFZGIMOT-CYBMUJFWSA-N 1 0 333.436 1.782 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1[NH+](C)C ZINC000359777043 274576360 /nfs/dbraw/zinc/57/63/60/274576360.db2.gz DVCXJALRIYLRSQ-BLLLJJGKSA-N 1 0 343.387 1.803 20 5 EDBDRO Cn1cc([C@@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000424294979 274893809 /nfs/dbraw/zinc/89/38/09/274893809.db2.gz PGPFBVUQHQCUOL-UONOGXRCSA-N 1 0 335.795 1.908 20 5 EDBDRO O=C1[C@@H](N2CC[N@@H+]3CCC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000171759440 275027749 /nfs/dbraw/zinc/02/77/49/275027749.db2.gz WIVHVFHFPCOHCC-CVEARBPZSA-N 1 0 330.388 1.480 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](C3CC3)[C@@]3(CO)CCCO3)nc2c1 ZINC000339756682 275038787 /nfs/dbraw/zinc/03/87/87/275038787.db2.gz DMRRUVIOWZSBHZ-SJORKVTESA-N 1 0 346.387 1.881 20 5 EDBDRO CCOC(=O)c1ccnc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000080702357 276300520 /nfs/dbraw/zinc/30/05/20/276300520.db2.gz NFXAYAWCUIHYFH-NEPJUHHUSA-N 1 0 334.376 1.839 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000171381513 276348778 /nfs/dbraw/zinc/34/87/78/276348778.db2.gz FBTLXJUWSJZOOO-UHFFFAOYSA-N 1 0 331.369 1.497 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000363165271 276842034 /nfs/dbraw/zinc/84/20/34/276842034.db2.gz BHFPKAQGIHATRK-HYVNUMGLSA-N 1 0 347.415 1.847 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000109840199 276870028 /nfs/dbraw/zinc/87/00/28/276870028.db2.gz UNQOCJUSERSIKI-JTQLQIEISA-N 1 0 331.369 1.449 20 5 EDBDRO COc1cccc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000413800762 278007916 /nfs/dbraw/zinc/00/79/16/278007916.db2.gz QNLKVIRJTABJKM-LBPRGKRZSA-N 1 0 337.376 1.180 20 5 EDBDRO CS(=O)(=O)NCCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417324162 278112474 /nfs/dbraw/zinc/11/24/74/278112474.db2.gz PVAWIHZIUYMRKH-HNNXBMFYSA-N 1 0 341.433 1.891 20 5 EDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000286906250 288115413 /nfs/dbraw/zinc/11/54/13/288115413.db2.gz LZYBRCPOLSOEBQ-KYJSFNMBSA-N 1 0 349.431 1.893 20 5 EDBDRO [NH3+]CCNC(=O)[C@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000262514381 279628580 /nfs/dbraw/zinc/62/85/80/279628580.db2.gz NGSVIBMIEJQKHU-JTQLQIEISA-N 1 0 326.784 1.540 20 5 EDBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000376718621 280373050 /nfs/dbraw/zinc/37/30/50/280373050.db2.gz QHTKVPBSFMTTEU-AWEZNQCLSA-N 1 0 343.380 1.498 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000262775000 280395567 /nfs/dbraw/zinc/39/55/67/280395567.db2.gz NETVCNNDNQRVEA-OLZOCXBDSA-N 1 0 339.417 1.727 20 5 EDBDRO Cc1ccc(N2CCC(O)(C[NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000364720300 280864193 /nfs/dbraw/zinc/86/41/93/280864193.db2.gz FUOILNTURFKLFB-UHFFFAOYSA-N 1 0 335.404 1.567 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000262206661 281011050 /nfs/dbraw/zinc/01/10/50/281011050.db2.gz LBJFUECSWUDSTD-KBPBESRZSA-N 1 0 347.419 1.383 20 5 EDBDRO C[C@@]1(C[NH3+])CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420242887 289162781 /nfs/dbraw/zinc/16/27/81/289162781.db2.gz NKMKSVNSOCXTJR-KRWDZBQOSA-N 1 0 334.420 1.602 20 5 EDBDRO C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000291963360 289227239 /nfs/dbraw/zinc/22/72/39/289227239.db2.gz WUSRPCZDYPRFMJ-DGCLKSJQSA-N 1 0 329.360 1.711 20 5 EDBDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000359985960 289780972 /nfs/dbraw/zinc/78/09/72/289780972.db2.gz QDUGCNNWKHBIHJ-LLVKDONJSA-N 1 0 333.797 1.606 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C[C@H]12 ZINC000248633883 295323538 /nfs/dbraw/zinc/32/35/38/295323538.db2.gz PVHUSQHOTYPULJ-ATZCPNFKSA-N 1 0 329.353 1.092 20 5 EDBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000346159009 297305013 /nfs/dbraw/zinc/30/50/13/297305013.db2.gz CYFAWZLKFGYJQI-GUTXKFCHSA-N 1 0 349.435 1.715 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000419278599 304585638 /nfs/dbraw/zinc/58/56/38/304585638.db2.gz VPIDMHVANZTJPC-RWMBFGLXSA-N 1 0 348.403 1.276 20 5 EDBDRO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000420291677 304743647 /nfs/dbraw/zinc/74/36/47/304743647.db2.gz VYFFGEPPOBAKEA-UWVGGRQHSA-N 1 0 328.394 1.172 20 5 EDBDRO C[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH3+] ZINC000420295865 304744531 /nfs/dbraw/zinc/74/45/31/304744531.db2.gz WFRSOZBVXNFTNQ-JOYOIKCWSA-N 1 0 326.784 1.856 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000262003128 302042487 /nfs/dbraw/zinc/04/24/87/302042487.db2.gz VJXYFPBAXNRYNG-NWDGAFQWSA-N 1 0 327.406 1.794 20 5 EDBDRO Cc1cc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)c(N)c([N+](=O)[O-])c1 ZINC000293550378 302983336 /nfs/dbraw/zinc/98/33/36/302983336.db2.gz GXOAHUQOFFQIET-GFCCVEGCSA-N 1 0 336.392 1.062 20 5 EDBDRO CN(C)c1cc(F)c(C(=O)NCC2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000294915529 303154650 /nfs/dbraw/zinc/15/46/50/303154650.db2.gz IBXIMOHFYLANDI-UHFFFAOYSA-N 1 0 336.367 1.792 20 5 EDBDRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000295569681 303236265 /nfs/dbraw/zinc/23/62/65/303236265.db2.gz VBNIYPASXPGDRJ-ZDUSSCGKSA-N 1 0 347.371 1.918 20 5 EDBDRO COc1ccc(CNC(=O)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000298924207 303569942 /nfs/dbraw/zinc/56/99/42/303569942.db2.gz JUQJGAWZFXIVEY-UHFFFAOYSA-N 1 0 336.392 1.889 20 5 EDBDRO CCC[NH+]1CCC(N(C)C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000299472254 303621059 /nfs/dbraw/zinc/62/10/59/303621059.db2.gz BVHLMEMLGYENKN-UHFFFAOYSA-N 1 0 337.424 1.823 20 5 EDBDRO Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CC=CC3)C2)c1[N+](=O)[O-] ZINC000301462407 303679850 /nfs/dbraw/zinc/67/98/50/303679850.db2.gz OOJAEAHRKRJTHZ-ZDUSSCGKSA-N 1 0 348.359 1.754 20 5 EDBDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000160025631 303801375 /nfs/dbraw/zinc/80/13/75/303801375.db2.gz RTHGKRNGDDPUEC-LBPRGKRZSA-N 1 0 341.795 1.825 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000422550461 304872155 /nfs/dbraw/zinc/87/21/55/304872155.db2.gz BEACGEBDKXJSQC-UHFFFAOYSA-N 1 0 341.389 1.120 20 5 EDBDRO [NH3+]C[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000423827978 304910966 /nfs/dbraw/zinc/91/09/66/304910966.db2.gz PEKKRVHOYFJHSR-HNNXBMFYSA-N 1 0 326.356 1.617 20 5 EDBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000423999037 304924018 /nfs/dbraw/zinc/92/40/18/304924018.db2.gz JVTNILUNHNCCPR-HOCLYGCPSA-N 1 0 333.388 1.953 20 5 EDBDRO Nc1c(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000424002877 304924402 /nfs/dbraw/zinc/92/44/02/304924402.db2.gz OUISSZOPCCMTFZ-CJNGLKHVSA-N 1 0 348.403 1.536 20 5 EDBDRO [NH3+][C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[C@H]1c1ccc(F)cc1 ZINC000424039272 304925999 /nfs/dbraw/zinc/92/59/99/304925999.db2.gz YNAVSIZAMBCVEB-NWDGAFQWSA-N 1 0 333.323 1.414 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000430380734 305052045 /nfs/dbraw/zinc/05/20/45/305052045.db2.gz SDTPAXGFVDCSLZ-AWEZNQCLSA-N 1 0 341.433 1.960 20 5 EDBDRO CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CC[NH2+]C1 ZINC000430964990 305071387 /nfs/dbraw/zinc/07/13/87/305071387.db2.gz HECKWISBMOKDJI-ZDUSSCGKSA-N 1 0 336.392 1.616 20 5 EDBDRO CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ncc[nH]1 ZINC000433468451 305110102 /nfs/dbraw/zinc/11/01/02/305110102.db2.gz FESDDLRHOOBYSC-AWEZNQCLSA-N 1 0 329.360 1.837 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[NH2+][C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000436055852 305151489 /nfs/dbraw/zinc/15/14/89/305151489.db2.gz BVZULXJPHLUGDF-RYUDHWBXSA-N 1 0 336.392 1.614 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000440735637 305212033 /nfs/dbraw/zinc/21/20/33/305212033.db2.gz OMYNKWCYXZUUMS-SNVBAGLBSA-N 1 0 335.357 1.004 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC2(C)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000440858164 305213515 /nfs/dbraw/zinc/21/35/15/305213515.db2.gz KHSVYBGPZJPHTE-UHFFFAOYSA-N 1 0 327.406 1.571 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000440857907 305213523 /nfs/dbraw/zinc/21/35/23/305213523.db2.gz KAZCDFVLDGMFBH-HNNXBMFYSA-N 1 0 341.433 1.880 20 5 EDBDRO CC[N@@H+]1CCC[C@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000445267697 305258718 /nfs/dbraw/zinc/25/87/18/305258718.db2.gz YEMFRURVGCZKOR-NSHDSACASA-N 1 0 346.391 1.755 20 5 EDBDRO O=C1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CN1C1CC1 ZINC000447574884 305282399 /nfs/dbraw/zinc/28/23/99/305282399.db2.gz PMLFRDJMRHYAAT-FPMFFAJLSA-N 1 0 333.392 1.628 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448941337 305305141 /nfs/dbraw/zinc/30/51/41/305305141.db2.gz LRKDZHKCSVBCSM-UHFFFAOYSA-N 1 0 343.387 1.948 20 5 EDBDRO O=C1CCCN1C[C@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548720 305352961 /nfs/dbraw/zinc/35/29/61/305352961.db2.gz NXTBAOYMSXLWQH-DOTOQJQBSA-N 1 0 347.415 1.758 20 5 EDBDRO CC[C@H]1C[N@H+](CC)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451723726 305364660 /nfs/dbraw/zinc/36/46/60/305364660.db2.gz BCLNQJISTQZKPF-GOEBONIOSA-N 1 0 337.420 1.751 20 5 EDBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000452347535 305390954 /nfs/dbraw/zinc/39/09/54/305390954.db2.gz ITSVBVVQPKPFGP-GFCCVEGCSA-N 1 0 341.795 1.825 20 5 EDBDRO CC(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1(CO)CCCC1 ZINC000459521129 305520536 /nfs/dbraw/zinc/52/05/36/305520536.db2.gz DBJVFEYCGOXXNK-MRXNPFEDSA-N 1 0 337.420 1.923 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)Cn1ccnn1 ZINC000459693151 305523174 /nfs/dbraw/zinc/52/31/74/305523174.db2.gz IIXVZFLBNHSJIL-CWRNSKLLSA-N 1 0 345.403 1.548 20 5 EDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493404609 305616582 /nfs/dbraw/zinc/61/65/82/305616582.db2.gz WLOYXKBMAIXUBJ-HVHJFMEUSA-N 1 0 335.404 1.817 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc([N+](=O)[O-])c1OC ZINC000515054499 305713705 /nfs/dbraw/zinc/71/37/05/305713705.db2.gz XXRJFPILNJQQBQ-KRWDZBQOSA-N 1 0 349.387 1.828 20 5 EDBDRO C[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000456336093 447364592 /nfs/dbraw/zinc/36/45/92/447364592.db2.gz NDHFMXWUVAGVJM-ZDUSSCGKSA-N 1 0 343.387 1.912 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(Nc3ccccn3)CC2)c1 ZINC000534129501 306003943 /nfs/dbraw/zinc/00/39/43/306003943.db2.gz RZYVOFFSCMOCQY-OAHLLOKOSA-N 1 0 346.391 1.124 20 5 EDBDRO CN(CCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000541911825 306049888 /nfs/dbraw/zinc/04/98/88/306049888.db2.gz XZWAGOWXQYMIIC-UHFFFAOYSA-N 1 0 342.421 1.164 20 5 EDBDRO C[NH+](C)CC1(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])CCCC1 ZINC000544726240 306078136 /nfs/dbraw/zinc/07/81/36/306078136.db2.gz RLIUWARVIWOVES-UHFFFAOYSA-N 1 0 342.421 1.390 20 5 EDBDRO O=C(NCc1cnc2n1CCCC2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000556750751 306215420 /nfs/dbraw/zinc/21/54/20/306215420.db2.gz DMHFZHREUABMDR-UHFFFAOYSA-N 1 0 344.327 1.786 20 5 EDBDRO NC(=O)c1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000557440328 306227938 /nfs/dbraw/zinc/22/79/38/306227938.db2.gz AAUKVNAGQIHRBI-HNNXBMFYSA-N 1 0 345.355 1.223 20 5 EDBDRO COc1cc(C[NH2+]C[C@H]2CCOC[C@@H]2OC)c([N+](=O)[O-])cc1O ZINC000449461912 447374923 /nfs/dbraw/zinc/37/49/23/447374923.db2.gz UJBPOLXZDMLGFM-BMIGLBTASA-N 1 0 326.349 1.450 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H]1CCO ZINC000426237271 447403473 /nfs/dbraw/zinc/40/34/73/447403473.db2.gz LCHNVYNUTSWVRW-LBPRGKRZSA-N 1 0 335.360 1.740 20 5 EDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415429854 447430337 /nfs/dbraw/zinc/43/03/37/447430337.db2.gz QHJQIYIUQHQWRW-NSHDSACASA-N 1 0 326.328 1.162 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000045744969 441027273 /nfs/dbraw/zinc/02/72/73/441027273.db2.gz LVQBNMYFUOXTOC-OLZOCXBDSA-N 1 0 341.433 1.994 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[NH+]1CCCCC1 ZINC000046854915 441130672 /nfs/dbraw/zinc/13/06/72/441130672.db2.gz RNYNPYAFRYAHFI-ZDUSSCGKSA-N 1 0 348.403 1.315 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000080447293 441171342 /nfs/dbraw/zinc/17/13/42/441171342.db2.gz UZHOLVHXRKGFIZ-KBPBESRZSA-N 1 0 334.420 1.830 20 5 EDBDRO CCOc1cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000104189411 441190774 /nfs/dbraw/zinc/19/07/74/441190774.db2.gz GMUDOAYCJACIHE-NSHDSACASA-N 1 0 337.376 1.684 20 5 EDBDRO C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000104533606 441197488 /nfs/dbraw/zinc/19/74/88/441197488.db2.gz ZQGXRNHYASYECA-UHFFFAOYSA-N 1 0 326.372 1.299 20 5 EDBDRO C[NH+]1CCC(O)(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000080891238 441204318 /nfs/dbraw/zinc/20/43/18/441204318.db2.gz INBWMLKCUPOETA-UHFFFAOYSA-N 1 0 327.768 1.435 20 5 EDBDRO COc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000024086599 441304430 /nfs/dbraw/zinc/30/44/30/441304430.db2.gz ZPJGCEHZEBARGP-UHFFFAOYSA-N 1 0 342.355 1.961 20 5 EDBDRO CC[C@@H](CO)[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083214153 441354959 /nfs/dbraw/zinc/35/49/59/441354959.db2.gz QPPCKQVBFXJSIK-LBPRGKRZSA-N 1 0 334.376 1.625 20 5 EDBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCC1 ZINC000066000412 441499339 /nfs/dbraw/zinc/49/93/39/441499339.db2.gz XAAKOAAMUDOFTF-UHFFFAOYSA-N 1 0 333.435 1.809 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066660201 441558816 /nfs/dbraw/zinc/55/88/16/441558816.db2.gz FHWWPPSCPRJRKY-LBPRGKRZSA-N 1 0 347.371 1.676 20 5 EDBDRO CC(C)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000112914882 441566573 /nfs/dbraw/zinc/56/65/73/441566573.db2.gz YPESWOWEVQWNFQ-MRXNPFEDSA-N 1 0 334.420 1.597 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000113453067 441609414 /nfs/dbraw/zinc/60/94/14/441609414.db2.gz PCCYKCJLERJXBJ-CHWSQXEVSA-N 1 0 348.403 1.123 20 5 EDBDRO CC[NH+]1CCC(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000041488101 441657201 /nfs/dbraw/zinc/65/72/01/441657201.db2.gz FCQUCIKDOIEBPA-UHFFFAOYSA-N 1 0 335.408 1.790 20 5 EDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000173336113 441716216 /nfs/dbraw/zinc/71/62/16/441716216.db2.gz WEKAJNPOAUJJNM-OCCSQVGLSA-N 1 0 327.406 1.532 20 5 EDBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000173590121 441800819 /nfs/dbraw/zinc/80/08/19/441800819.db2.gz OGHKTRHMEUQAIL-KRWDZBQOSA-N 1 0 346.431 1.376 20 5 EDBDRO C[C@H](NC(=O)NCC1(O)CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000077780089 441860111 /nfs/dbraw/zinc/86/01/11/441860111.db2.gz JPNJJLIGSUOTKF-LBPRGKRZSA-N 1 0 336.392 1.412 20 5 EDBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCC([NH2+]CCO)CC1 ZINC000092689436 441822050 /nfs/dbraw/zinc/82/20/50/441822050.db2.gz MIZITZAMADCIJN-UHFFFAOYSA-N 1 0 345.197 1.303 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](CO)C1 ZINC000122201500 441838435 /nfs/dbraw/zinc/83/84/35/441838435.db2.gz WLNJEBVAFBEMRP-LBPRGKRZSA-N 1 0 337.376 1.636 20 5 EDBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000068798747 441853467 /nfs/dbraw/zinc/85/34/67/441853467.db2.gz BIOCMCAISBYZKU-UHFFFAOYSA-N 1 0 349.387 1.922 20 5 EDBDRO COc1cc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000141777518 441855453 /nfs/dbraw/zinc/85/54/53/441855453.db2.gz OHKAEJSJUTVOMP-GFCCVEGCSA-N 1 0 349.387 1.922 20 5 EDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174202746 441901700 /nfs/dbraw/zinc/90/17/00/441901700.db2.gz USHVNFCYXIRTJM-AWEZNQCLSA-N 1 0 333.388 1.318 20 5 EDBDRO CCc1n[nH]c(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000174386107 441919791 /nfs/dbraw/zinc/91/97/91/441919791.db2.gz YATCSEZNDGESNW-GFCCVEGCSA-N 1 0 335.408 1.828 20 5 EDBDRO CC(C)[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000069006560 441878299 /nfs/dbraw/zinc/87/82/99/441878299.db2.gz GDEBQHMGUDQJLP-UHFFFAOYSA-N 1 0 325.340 1.665 20 5 EDBDRO CC(C)[N@@H+]1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000069082575 441886744 /nfs/dbraw/zinc/88/67/44/441886744.db2.gz RVYRMLFEANHMBH-UHFFFAOYSA-N 1 0 346.431 1.900 20 5 EDBDRO CCc1ccc(C(=O)NC2CC[NH+](CCOC)CC2)cc1[N+](=O)[O-] ZINC000174134670 441892544 /nfs/dbraw/zinc/89/25/44/441892544.db2.gz YOXCSRQDCBMXMV-UHFFFAOYSA-N 1 0 335.404 1.998 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000119444182 441935152 /nfs/dbraw/zinc/93/51/52/441935152.db2.gz IAYHNUCPLOUCJP-LBPRGKRZSA-N 1 0 339.417 1.666 20 5 EDBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000078507359 441939615 /nfs/dbraw/zinc/93/96/15/441939615.db2.gz WIHRXFUQSOJPLM-ZDUSSCGKSA-N 1 0 328.376 1.678 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000161695998 442024504 /nfs/dbraw/zinc/02/45/04/442024504.db2.gz LSOFDQIYYUQBHR-GHMZBOCLSA-N 1 0 330.348 1.175 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000175501672 442075570 /nfs/dbraw/zinc/07/55/70/442075570.db2.gz ZAECFDNACWPKBW-UHFFFAOYSA-N 1 0 335.404 1.900 20 5 EDBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000415444210 447446019 /nfs/dbraw/zinc/44/60/19/447446019.db2.gz ICKWLFHDPKGJCE-ZDUSSCGKSA-N 1 0 348.403 1.684 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000163028589 442139542 /nfs/dbraw/zinc/13/95/42/442139542.db2.gz OZNODOQFDLUOGM-VXGBXAGGSA-N 1 0 337.376 1.947 20 5 EDBDRO COC(=O)[C@@H](C)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000152141047 442171077 /nfs/dbraw/zinc/17/10/77/442171077.db2.gz JEDBKVNZYCGPSY-WFASDCNBSA-N 1 0 332.360 1.931 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000127162513 442176937 /nfs/dbraw/zinc/17/69/37/442176937.db2.gz LNDYHHAYQCRTEC-AWEZNQCLSA-N 1 0 337.424 1.726 20 5 EDBDRO CCCCCNC(=O)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176209157 442191784 /nfs/dbraw/zinc/19/17/84/442191784.db2.gz HTECRIUMGLIBCQ-UHFFFAOYSA-N 1 0 337.424 1.810 20 5 EDBDRO C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000152977868 442254496 /nfs/dbraw/zinc/25/44/96/442254496.db2.gz LMVDFNYANJZHOR-SMDDNHRTSA-N 1 0 327.406 1.669 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000152531058 442223083 /nfs/dbraw/zinc/22/30/83/442223083.db2.gz RFQPWWUIBPIEBQ-AWEZNQCLSA-N 1 0 339.367 1.503 20 5 EDBDRO Cc1nn(C)c(C(=O)NCCC[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000127914993 442233145 /nfs/dbraw/zinc/23/31/45/442233145.db2.gz NFNONJLZZXTNRP-UHFFFAOYSA-N 1 0 345.403 1.889 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000170812443 442268052 /nfs/dbraw/zinc/26/80/52/442268052.db2.gz MWGUCYBBIGEKLP-UHFFFAOYSA-N 1 0 349.435 1.824 20 5 EDBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000170886075 442283701 /nfs/dbraw/zinc/28/37/01/442283701.db2.gz FLHTUVAMVNVURJ-LLVKDONJSA-N 1 0 345.421 1.612 20 5 EDBDRO COc1cc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000177066021 442292857 /nfs/dbraw/zinc/29/28/57/442292857.db2.gz AKYBXDAUSVHFIY-QWRGUYRKSA-N 1 0 349.387 1.967 20 5 EDBDRO Cc1nn(CCC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000177073438 442294406 /nfs/dbraw/zinc/29/44/06/442294406.db2.gz CGYPAUXXISUWSU-ZWNOBZJWSA-N 1 0 335.408 1.540 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000177077902 442294956 /nfs/dbraw/zinc/29/49/56/442294956.db2.gz SOLRTUGCBLGRIR-UHFFFAOYSA-N 1 0 329.784 1.946 20 5 EDBDRO Cc1cc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000153786256 442302793 /nfs/dbraw/zinc/30/27/93/442302793.db2.gz FXCOTLUIBFHTKB-UHFFFAOYSA-N 1 0 336.392 1.824 20 5 EDBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000171337980 442342122 /nfs/dbraw/zinc/34/21/22/442342122.db2.gz DFOPSFHHHGKDDB-UHFFFAOYSA-N 1 0 345.403 1.690 20 5 EDBDRO Cc1c(C(=O)NC[C@@H]2CCCC[NH2+]2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000130647669 442352810 /nfs/dbraw/zinc/35/28/10/442352810.db2.gz XNKDKZLUUATTDA-LBPRGKRZSA-N 1 0 344.375 1.356 20 5 EDBDRO C[C@@H](NC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000171498002 442352966 /nfs/dbraw/zinc/35/29/66/442352966.db2.gz LXBHRRRPZPQFOO-LLVKDONJSA-N 1 0 344.375 1.602 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000171129392 442317679 /nfs/dbraw/zinc/31/76/79/442317679.db2.gz TZCKLYVWCSXEOM-UHFFFAOYSA-N 1 0 340.336 1.119 20 5 EDBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000177999959 442400325 /nfs/dbraw/zinc/40/03/25/442400325.db2.gz QQFMMWLQWPRANG-NSHDSACASA-N 1 0 327.406 1.651 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000178004911 442400911 /nfs/dbraw/zinc/40/09/11/442400911.db2.gz IFKNFPKDWLBORM-OLZOCXBDSA-N 1 0 348.403 1.831 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[N@@H+](C)C(C)C)c1C ZINC000155601636 442411780 /nfs/dbraw/zinc/41/17/80/442411780.db2.gz ZIZVBPNVLSGFBM-UHFFFAOYSA-N 1 0 329.422 1.830 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[NH2+]CC2)cc1SC ZINC000178357458 442427619 /nfs/dbraw/zinc/42/76/19/442427619.db2.gz ZXMOTRVUTDMDRJ-UHFFFAOYSA-N 1 0 325.390 1.761 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(Cn3ccnn3)CC2)c1 ZINC000155796977 442428245 /nfs/dbraw/zinc/42/82/45/442428245.db2.gz GSQGARWPMZIBNS-MRXNPFEDSA-N 1 0 331.376 1.632 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CC[C@@H]21 ZINC000133701594 442430958 /nfs/dbraw/zinc/43/09/58/442430958.db2.gz IEYZAXQYXAQMNI-FZMZJTMJSA-N 1 0 343.387 1.752 20 5 EDBDRO Cc1c(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000134149042 442453325 /nfs/dbraw/zinc/45/33/25/442453325.db2.gz RGDPUBTUFBXOOU-ZDUSSCGKSA-N 1 0 348.403 1.642 20 5 EDBDRO C[C@@H]([NH3+])C1CCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178810472 442491100 /nfs/dbraw/zinc/49/11/00/442491100.db2.gz VDTAHKBNBDIHLE-NEPJUHHUSA-N 1 0 348.403 1.299 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)C1CC1 ZINC000191914488 442540086 /nfs/dbraw/zinc/54/00/86/442540086.db2.gz IUULRFARNBZHRS-UHFFFAOYSA-N 1 0 341.433 1.974 20 5 EDBDRO COC(=O)C[C@@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000179124047 442577568 /nfs/dbraw/zinc/57/75/68/442577568.db2.gz WSCQUEMMDKCLHE-LBPRGKRZSA-N 1 0 335.360 1.869 20 5 EDBDRO C[C@H]([NH2+]CC(=O)NC(=O)NCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000180401999 442595866 /nfs/dbraw/zinc/59/58/66/442595866.db2.gz HWWPWUSNHBWRAJ-QMMMGPOBSA-N 1 0 348.281 1.634 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000186734640 442604089 /nfs/dbraw/zinc/60/40/89/442604089.db2.gz BLHVFSXFERHCTC-ABAIWWIYSA-N 1 0 329.360 1.508 20 5 EDBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000181818734 442718119 /nfs/dbraw/zinc/71/81/19/442718119.db2.gz WDRLBBYFHYYAPV-CYBMUJFWSA-N 1 0 345.403 1.946 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000193324030 442733458 /nfs/dbraw/zinc/73/34/58/442733458.db2.gz UBVFOYHQCVGQJB-AOOOYVTPSA-N 1 0 345.808 1.397 20 5 EDBDRO C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000188724981 442798265 /nfs/dbraw/zinc/79/82/65/442798265.db2.gz PUOCWFIVHSCFCT-HSBSLETESA-N 1 0 347.415 1.912 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000182652210 442800925 /nfs/dbraw/zinc/80/09/25/442800925.db2.gz FPKPLOZCBAQUEI-AWEZNQCLSA-N 1 0 334.420 1.670 20 5 EDBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000193664703 442765060 /nfs/dbraw/zinc/76/50/60/442765060.db2.gz RIKAEVQUEGGISD-UHFFFAOYSA-N 1 0 335.364 1.283 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268169314 442882443 /nfs/dbraw/zinc/88/24/43/442882443.db2.gz PQAPTPUKMCJKOV-FZMZJTMJSA-N 1 0 339.417 1.664 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000268222877 442906872 /nfs/dbraw/zinc/90/68/72/442906872.db2.gz QWCQDQCFIFHNMX-GXFFZTMASA-N 1 0 347.371 1.579 20 5 EDBDRO CC[N@H+](CCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000189257750 442907407 /nfs/dbraw/zinc/90/74/07/442907407.db2.gz SABKACBSBCESHW-UHFFFAOYSA-N 1 0 348.403 1.852 20 5 EDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1(c2ccccc2)CC1 ZINC000189295046 442914594 /nfs/dbraw/zinc/91/45/94/442914594.db2.gz XPISUFYPAZBGLT-MRXNPFEDSA-N 1 0 330.388 1.816 20 5 EDBDRO Cc1c([C@@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cnn1C ZINC000183329503 318522160 /nfs/dbraw/zinc/52/21/60/318522160.db2.gz DVZLKKLVKOKQBD-LLVKDONJSA-N 1 0 343.387 1.877 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000268303711 442939631 /nfs/dbraw/zinc/93/96/31/442939631.db2.gz XPRMJJHYIYOYOX-KOLCDFICSA-N 1 0 331.369 1.305 20 5 EDBDRO C[N@H+](CCOCc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000268339136 442953610 /nfs/dbraw/zinc/95/36/10/442953610.db2.gz OUZAHHYIIKKNJQ-INIZCTEOSA-N 1 0 334.376 1.301 20 5 EDBDRO CC1(C)[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]2CCO[C@H]21 ZINC000296087881 318663884 /nfs/dbraw/zinc/66/38/84/318663884.db2.gz HIYGVKAOGSWJAE-ARLBYUKCSA-N 1 0 336.388 1.738 20 5 EDBDRO COc1cc(C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000266155403 443037524 /nfs/dbraw/zinc/03/75/24/443037524.db2.gz HUSOYKHHUVXEKP-GWCFXTLKSA-N 1 0 337.376 1.634 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000266158701 443039391 /nfs/dbraw/zinc/03/93/91/443039391.db2.gz IJSOIKHPVMNKEP-XHDPSFHLSA-N 1 0 349.387 1.794 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266189787 443051944 /nfs/dbraw/zinc/05/19/44/443051944.db2.gz DRWLYSGTRRDVAU-HNNXBMFYSA-N 1 0 333.388 1.318 20 5 EDBDRO C[C@H]1CN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000266208575 443057974 /nfs/dbraw/zinc/05/79/74/443057974.db2.gz PQLVXEGEFIYXES-SMDDNHRTSA-N 1 0 335.360 1.195 20 5 EDBDRO COCCC[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000268874589 443133397 /nfs/dbraw/zinc/13/33/97/443133397.db2.gz YLTHRSTZLNOFBH-GFCCVEGCSA-N 1 0 345.421 1.278 20 5 EDBDRO COCCC[N@H+](CCOC)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266561599 443169465 /nfs/dbraw/zinc/16/94/65/443169465.db2.gz YABMZTAPWIGGIC-UHFFFAOYSA-N 1 0 342.392 1.967 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000261964490 443176134 /nfs/dbraw/zinc/17/61/34/443176134.db2.gz PDEWVFXJUJSCLV-ZWNOBZJWSA-N 1 0 327.406 1.651 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000237663650 443178365 /nfs/dbraw/zinc/17/83/65/443178365.db2.gz GWHVGTDUBHOXAH-GFCCVEGCSA-N 1 0 327.406 1.632 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCCC[NH2+]Cc1cccnc1 ZINC000237988464 443191318 /nfs/dbraw/zinc/19/13/18/443191318.db2.gz YYIMJACBDAGGFO-UHFFFAOYSA-N 1 0 343.387 1.698 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC000266507478 443150454 /nfs/dbraw/zinc/15/04/54/443150454.db2.gz CMTIGEVTALJAEK-GXTWGEPZSA-N 1 0 334.351 1.781 20 5 EDBDRO COc1ccc(S(=O)(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000323359447 318942025 /nfs/dbraw/zinc/94/20/25/318942025.db2.gz WKAHGJBTDFWXFT-QMTHXVAHSA-N 1 0 343.405 1.209 20 5 EDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000262779661 443212559 /nfs/dbraw/zinc/21/25/59/443212559.db2.gz OMTDPLFVYUNNCT-DTWKUNHWSA-N 1 0 333.797 1.619 20 5 EDBDRO [NH3+]CCC1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000387006990 319130711 /nfs/dbraw/zinc/13/07/11/319130711.db2.gz AKIJODWDMMGCMO-UHFFFAOYSA-N 1 0 347.824 1.998 20 5 EDBDRO C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000411985888 319218404 /nfs/dbraw/zinc/21/84/04/319218404.db2.gz QBMUABQVMDCCIB-HNNXBMFYSA-N 1 0 329.404 1.998 20 5 EDBDRO COC(=O)[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[N@H+](C)C1 ZINC000413497088 319271224 /nfs/dbraw/zinc/27/12/24/319271224.db2.gz LAHCAXOUNYYSRQ-ZDUSSCGKSA-N 1 0 344.371 1.684 20 5 EDBDRO Cc1cc(C(=O)NCc2nc(C3([NH3+])CCC3)no2)ccc1[N+](=O)[O-] ZINC000414624544 319331632 /nfs/dbraw/zinc/33/16/32/319331632.db2.gz GXVPLJJFVIXOHQ-UHFFFAOYSA-N 1 0 331.332 1.554 20 5 EDBDRO COC[C@]1(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCC[NH2+]1 ZINC000414658749 319337142 /nfs/dbraw/zinc/33/71/42/319337142.db2.gz RMZDHKXVJIAPCP-OAHLLOKOSA-N 1 0 338.364 1.494 20 5 EDBDRO CCCn1ccnc1CCC[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000191487244 443301474 /nfs/dbraw/zinc/30/14/74/443301474.db2.gz NTYMLTNYTIRLFC-UHFFFAOYSA-N 1 0 347.419 1.928 20 5 EDBDRO CCCc1n[nH]c(C(=O)NCC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000278427564 443328110 /nfs/dbraw/zinc/32/81/10/443328110.db2.gz CCPVFRVQAPBGGO-UHFFFAOYSA-N 1 0 335.408 1.875 20 5 EDBDRO COC[C@H](C)OC[C@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000278451421 443335656 /nfs/dbraw/zinc/33/56/56/443335656.db2.gz XNTRIIBTDCWICP-GZBFAFLISA-N 1 0 326.393 1.966 20 5 EDBDRO CC(C)(NC(=O)NC[C@H]1C[NH2+]CCCO1)c1ccccc1[N+](=O)[O-] ZINC000418794284 319512666 /nfs/dbraw/zinc/51/26/66/319512666.db2.gz RFDZOOFKHAKZDI-GFCCVEGCSA-N 1 0 336.392 1.508 20 5 EDBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272597412 443377478 /nfs/dbraw/zinc/37/74/78/443377478.db2.gz UQUYLEHLWHJKAH-ZDUSSCGKSA-N 1 0 342.346 1.049 20 5 EDBDRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCSC1 ZINC000267182291 443369843 /nfs/dbraw/zinc/36/98/43/443369843.db2.gz XPDTWOQMRKBCAT-ZDUSSCGKSA-N 1 0 345.446 1.310 20 5 EDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000264833143 443445271 /nfs/dbraw/zinc/44/52/71/443445271.db2.gz ZUUPAGCZJLAMGB-LBPRGKRZSA-N 1 0 333.392 1.137 20 5 EDBDRO CNC(=O)[C@@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000272788472 443445327 /nfs/dbraw/zinc/44/53/27/443445327.db2.gz BUDXEEUHJCWZHG-HNNXBMFYSA-N 1 0 330.344 1.403 20 5 EDBDRO COc1ccc(NC(=O)CC[N@H+](CCO)C(C)C)c([N+](=O)[O-])c1 ZINC000267581260 443503840 /nfs/dbraw/zinc/50/38/40/443503840.db2.gz STYHBJBGANLLJS-UHFFFAOYSA-N 1 0 325.365 1.635 20 5 EDBDRO C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000423408342 319772630 /nfs/dbraw/zinc/77/26/30/319772630.db2.gz ADFZCKIWVFTLES-DYEKYZERSA-N 1 0 333.392 1.391 20 5 EDBDRO NC(=O)c1cc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)n[nH]1 ZINC000283132694 443534518 /nfs/dbraw/zinc/53/45/18/443534518.db2.gz NMTIXBOTUAXBBT-LLVKDONJSA-N 1 0 347.350 1.936 20 5 EDBDRO C[NH+](C)Cc1cc(CNc2ncc([N+](=O)[O-])cc2C(N)=O)ccc1F ZINC000265235292 443579105 /nfs/dbraw/zinc/57/91/05/443579105.db2.gz RTRAOBLRDVMQPB-UHFFFAOYSA-N 1 0 347.350 1.902 20 5 EDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)nc1 ZINC000273571414 443580383 /nfs/dbraw/zinc/58/03/83/443580383.db2.gz DIEZKPOEAKSJFJ-GOEBONIOSA-N 1 0 343.387 1.680 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272428112 443622768 /nfs/dbraw/zinc/62/27/68/443622768.db2.gz IVDWYSLWVQVWQI-NHYWBVRUSA-N 1 0 348.359 1.978 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000286077648 443641143 /nfs/dbraw/zinc/64/11/43/443641143.db2.gz CPROXOOUEOQRDZ-DGCLKSJQSA-N 1 0 334.376 1.697 20 5 EDBDRO CC1(C)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1O ZINC000279877862 443634523 /nfs/dbraw/zinc/63/45/23/443634523.db2.gz UFUUAGFVFZWNLM-CYBMUJFWSA-N 1 0 325.340 1.765 20 5 EDBDRO CC(C)(CN1CCCC1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000452097289 320241419 /nfs/dbraw/zinc/24/14/19/320241419.db2.gz PVAQFIFCYXVFLL-CQSZACIVSA-N 1 0 337.420 1.799 20 5 EDBDRO C[N@@H+]1CC[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000290957851 443720758 /nfs/dbraw/zinc/72/07/58/443720758.db2.gz NZSKPYGBSLUETJ-KBPBESRZSA-N 1 0 341.371 1.946 20 5 EDBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000276603216 443762032 /nfs/dbraw/zinc/76/20/32/443762032.db2.gz RJCFGWPQIQAVHZ-NWDGAFQWSA-N 1 0 349.387 1.661 20 5 EDBDRO CCOc1cc(CN2CCC([N@H+](C)CCO)CC2)ccc1[N+](=O)[O-] ZINC000276826510 443842323 /nfs/dbraw/zinc/84/23/23/443842323.db2.gz ALDDBQHJXAUDFK-UHFFFAOYSA-N 1 0 337.420 1.882 20 5 EDBDRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292786119 443843105 /nfs/dbraw/zinc/84/31/05/443843105.db2.gz LCBLLWBKLHZGQB-OAHLLOKOSA-N 1 0 339.417 1.701 20 5 EDBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1(CO)CCOCC1 ZINC000276736037 443807271 /nfs/dbraw/zinc/80/72/71/443807271.db2.gz FDTUITWSZTXXLJ-UHFFFAOYSA-N 1 0 338.360 1.435 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000533809691 320695477 /nfs/dbraw/zinc/69/54/77/320695477.db2.gz LLGKGSWBRARFFU-AWEZNQCLSA-N 1 0 330.388 1.836 20 5 EDBDRO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H](O)Cc1ccccc1 ZINC000293171122 443942965 /nfs/dbraw/zinc/94/29/65/443942965.db2.gz CZAFFCXUMQAVBE-INIZCTEOSA-N 1 0 343.383 1.729 20 5 EDBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000288777333 443980723 /nfs/dbraw/zinc/98/07/23/443980723.db2.gz DFWFFGBLIOHQEL-NSHDSACASA-N 1 0 344.437 1.775 20 5 EDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285429869 443980911 /nfs/dbraw/zinc/98/09/11/443980911.db2.gz HJQYNVGMFJAGAB-ADNJVRNUSA-N 1 0 349.431 1.892 20 5 EDBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293508044 444037692 /nfs/dbraw/zinc/03/76/92/444037692.db2.gz SVZUACYMORCSDC-UONOGXRCSA-N 1 0 341.371 1.605 20 5 EDBDRO COCCOCC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000289066626 444045969 /nfs/dbraw/zinc/04/59/69/444045969.db2.gz RQTPFLZTHPXZEK-UHFFFAOYSA-N 1 0 325.365 1.518 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000293550165 444051735 /nfs/dbraw/zinc/05/17/35/444051735.db2.gz DXFXIRMGNVTOMF-MRXNPFEDSA-N 1 0 331.376 1.824 20 5 EDBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293467314 444025778 /nfs/dbraw/zinc/02/57/78/444025778.db2.gz QLMWPZIXSDZIEL-LRDDRELGSA-N 1 0 341.371 1.605 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000565597085 321192501 /nfs/dbraw/zinc/19/25/01/321192501.db2.gz MXBSKJULQWNKPC-GFCCVEGCSA-N 1 0 337.351 1.561 20 5 EDBDRO C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000569521406 321329009 /nfs/dbraw/zinc/32/90/09/321329009.db2.gz FOSVNRUQMGJBGZ-DOMZBBRYSA-N 1 0 348.403 1.154 20 5 EDBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000570800677 321357781 /nfs/dbraw/zinc/35/77/81/321357781.db2.gz XGLZDXNXOAYICI-AWEZNQCLSA-N 1 0 330.344 1.688 20 5 EDBDRO CNC(=O)c1ccc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000294868161 444152176 /nfs/dbraw/zinc/15/21/76/444152176.db2.gz DVFFTFWIZLHBFE-LBPRGKRZSA-N 1 0 332.404 1.875 20 5 EDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000576576881 321578308 /nfs/dbraw/zinc/57/83/08/321578308.db2.gz MRFFYTVUYIXUAP-KRWDZBQOSA-N 1 0 332.404 1.999 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H](CO)C1 ZINC000304679364 444251496 /nfs/dbraw/zinc/25/14/96/444251496.db2.gz DSAGGHPJTQHIAK-LBPRGKRZSA-N 1 0 335.360 1.597 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCCC[C@H]2O)cc1 ZINC000577221481 321634366 /nfs/dbraw/zinc/63/43/66/321634366.db2.gz QOZBVXXHBXBJDD-SWLSCSKDSA-N 1 0 342.417 1.509 20 5 EDBDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000296579495 444239674 /nfs/dbraw/zinc/23/96/74/444239674.db2.gz UFOGGMNHCWLFJR-NWDGAFQWSA-N 1 0 329.422 1.882 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000317565390 444316408 /nfs/dbraw/zinc/31/64/08/444316408.db2.gz KWTMZVUVEJYWFV-RYUDHWBXSA-N 1 0 327.406 1.651 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)c1[N+](=O)[O-] ZINC000577645826 321670593 /nfs/dbraw/zinc/67/05/93/321670593.db2.gz SDCOTNGTQMJNMJ-VXGBXAGGSA-N 1 0 327.406 1.712 20 5 EDBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H](O)CN2CCOCC2)C2CC2)cc1 ZINC000305729197 444275924 /nfs/dbraw/zinc/27/59/24/444275924.db2.gz KAEXRSZEDIWQLT-QGZVFWFLSA-N 1 0 335.404 1.252 20 5 EDBDRO O=C1CCCN1C[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000305753039 444277961 /nfs/dbraw/zinc/27/79/61/444277961.db2.gz UDCOIHGTPWHCBF-INIZCTEOSA-N 1 0 333.388 1.543 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CC23CCSCC3)c1 ZINC000578316296 321755211 /nfs/dbraw/zinc/75/52/11/321755211.db2.gz VUOLFJAQJPOOTM-AAEUAGOBSA-N 1 0 326.422 1.275 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000326563396 444376302 /nfs/dbraw/zinc/37/63/02/444376302.db2.gz ZQFMPDWAGDMDNO-UONOGXRCSA-N 1 0 327.344 1.020 20 5 EDBDRO CCNC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000298076673 444407748 /nfs/dbraw/zinc/40/77/48/444407748.db2.gz HIKUVMYOJGNWOO-HNNXBMFYSA-N 1 0 336.392 1.674 20 5 EDBDRO COC(C)(C)[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000340506735 444415890 /nfs/dbraw/zinc/41/58/90/444415890.db2.gz WHPKJNVUWWYQFF-LLVKDONJSA-N 1 0 330.406 1.772 20 5 EDBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@]1(C)CCCO1 ZINC000340507672 444416712 /nfs/dbraw/zinc/41/67/12/444416712.db2.gz XODQAVYHMYRHBG-DOMZBBRYSA-N 1 0 342.417 1.916 20 5 EDBDRO C[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C[N@@H+]1C ZINC000331101907 444394612 /nfs/dbraw/zinc/39/46/12/444394612.db2.gz GLSRKDBPBLIBOG-ZJUUUORDSA-N 1 0 327.331 1.967 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298042455 444395054 /nfs/dbraw/zinc/39/50/54/444395054.db2.gz GYDZRDNKVZNYJE-SECBINFHSA-N 1 0 340.767 1.397 20 5 EDBDRO CC[C@H](CO)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000298054900 444399471 /nfs/dbraw/zinc/39/94/71/444399471.db2.gz FRAKKNXYEIOGOP-LLVKDONJSA-N 1 0 325.365 1.635 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCN(c3ccccc3F)C2)c1 ZINC000579344747 321921658 /nfs/dbraw/zinc/92/16/58/321921658.db2.gz JKAVESHYUSQKNL-JSGCOSHPSA-N 1 0 349.366 1.160 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCCCC(F)(F)C2)c1 ZINC000579702298 321962899 /nfs/dbraw/zinc/96/28/99/321962899.db2.gz UEQAULLPVPMSIH-WCQYABFASA-N 1 0 332.351 1.957 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CCc3ccccc3CC2)c1 ZINC000580641396 322076853 /nfs/dbraw/zinc/07/68/53/322076853.db2.gz QMAHJUQJVOCIQP-KRWDZBQOSA-N 1 0 330.388 1.689 20 5 EDBDRO O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000580893537 322109123 /nfs/dbraw/zinc/10/91/23/322109123.db2.gz YZBAQRSVKJQCSA-GFCCVEGCSA-N 1 0 342.359 1.141 20 5 EDBDRO CC[NH2+]CCCNC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000581300525 322161068 /nfs/dbraw/zinc/16/10/68/322161068.db2.gz LASGIFXLWWYAQJ-GFCCVEGCSA-N 1 0 336.392 1.196 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000581602792 322197669 /nfs/dbraw/zinc/19/76/69/322197669.db2.gz QOUYLDLUAORYMP-INIZCTEOSA-N 1 0 335.404 1.551 20 5 EDBDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000581662615 322205374 /nfs/dbraw/zinc/20/53/74/322205374.db2.gz PIWONLQIUXTURQ-IUODEOHRSA-N 1 0 332.404 1.996 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCn2ccnc2C1 ZINC000332590252 444520120 /nfs/dbraw/zinc/52/01/20/444520120.db2.gz MVOZSDIBWNWNRL-UHFFFAOYSA-N 1 0 336.373 1.613 20 5 EDBDRO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccccc1 ZINC000338336985 444641525 /nfs/dbraw/zinc/64/15/25/444641525.db2.gz TUFZLSUNWMHFSD-ZDUSSCGKSA-N 1 0 330.392 1.884 20 5 EDBDRO C[C@H]([NH2+][C@H]1CCC(=O)NC1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000338589682 444759939 /nfs/dbraw/zinc/75/99/39/444759939.db2.gz BECFGHRQXSLCKB-GWCFXTLKSA-N 1 0 334.376 1.569 20 5 EDBDRO C[C@H]([NH2+][C@@H]1CCC(=O)NC1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000338589683 444760221 /nfs/dbraw/zinc/76/02/21/444760221.db2.gz BECFGHRQXSLCKB-GXFFZTMASA-N 1 0 334.376 1.569 20 5 EDBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000341541869 444883716 /nfs/dbraw/zinc/88/37/16/444883716.db2.gz DRMBQLKOEVHUIL-CHWSQXEVSA-N 1 0 348.403 1.912 20 5 EDBDRO C[C@H]1[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000344298740 444887410 /nfs/dbraw/zinc/88/74/10/444887410.db2.gz RVPABEMFELJRKW-WFASDCNBSA-N 1 0 335.408 1.789 20 5 EDBDRO Cn1c(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000330477900 444997798 /nfs/dbraw/zinc/99/77/98/444997798.db2.gz MYBXTKQHTHOCTA-UHFFFAOYSA-N 1 0 336.392 1.118 20 5 EDBDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000330713623 445108348 /nfs/dbraw/zinc/10/83/48/445108348.db2.gz RMNMLXZTOVXVBO-TZMCWYRMSA-N 1 0 341.433 1.978 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000342113989 445178628 /nfs/dbraw/zinc/17/86/28/445178628.db2.gz WOFOKYVGBUEDBA-VNQPRFMTSA-N 1 0 344.415 1.543 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCCC[C@H]2CCO)c1 ZINC000342056050 445147001 /nfs/dbraw/zinc/14/70/01/445147001.db2.gz GSPOJCFMCFZTKE-GOEBONIOSA-N 1 0 338.404 1.962 20 5 EDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000343562160 445244400 /nfs/dbraw/zinc/24/44/00/445244400.db2.gz YEAHLFWDOVQEOF-LBPRGKRZSA-N 1 0 349.387 1.970 20 5 EDBDRO CO[C@H]1C[C@H](C[NH+]2CCCC2)N(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000347938920 445256931 /nfs/dbraw/zinc/25/69/31/445256931.db2.gz VHEMGOKLTDDHIS-OLZOCXBDSA-N 1 0 346.391 1.327 20 5 EDBDRO CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000348198527 445313780 /nfs/dbraw/zinc/31/37/80/445313780.db2.gz NWFCVDCWJBXEIX-HOTGVXAUSA-N 1 0 335.404 1.503 20 5 EDBDRO CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000348198521 445313840 /nfs/dbraw/zinc/31/38/40/445313840.db2.gz NWFCVDCWJBXEIX-CVEARBPZSA-N 1 0 335.404 1.503 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(N3CCC[C@@H]3C[N@H+]3CCC[C@@H]3CO)nn21 ZINC000362408121 445364720 /nfs/dbraw/zinc/36/47/20/445364720.db2.gz RHSDDAOTMFCHGI-CHWSQXEVSA-N 1 0 346.391 1.063 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](CO)C1CCOCC1 ZINC000359869503 445467994 /nfs/dbraw/zinc/46/79/94/445467994.db2.gz FZUWNGGBGDUIPD-ZDUSSCGKSA-N 1 0 337.376 1.219 20 5 EDBDRO COC[C@@]1(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000357274778 445519890 /nfs/dbraw/zinc/51/98/90/445519890.db2.gz QYERCQZSYWRZIK-INIZCTEOSA-N 1 0 336.392 1.282 20 5 EDBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000360005657 445523742 /nfs/dbraw/zinc/52/37/42/445523742.db2.gz HEKYCEXZSLCKDH-LLVKDONJSA-N 1 0 345.421 1.612 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000360007903 445525178 /nfs/dbraw/zinc/52/51/78/445525178.db2.gz SKPKHOHKDPSDDV-OLZOCXBDSA-N 1 0 339.417 1.570 20 5 EDBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000357305952 445538533 /nfs/dbraw/zinc/53/85/33/445538533.db2.gz LJSRGGKFMJCRTL-CYBMUJFWSA-N 1 0 333.348 1.359 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000356225138 445685678 /nfs/dbraw/zinc/68/56/78/445685678.db2.gz RQJAYVZZCQTISM-CQSZACIVSA-N 1 0 343.387 1.723 20 5 EDBDRO COc1ccc(OCCSc2nc(N)cc(N)[nH+]2)c([N+](=O)[O-])c1 ZINC000360278752 445672850 /nfs/dbraw/zinc/67/28/50/445672850.db2.gz LLFUMSKURXXNDU-UHFFFAOYSA-N 1 0 337.361 1.729 20 5 EDBDRO NC(=O)c1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000363256392 445742105 /nfs/dbraw/zinc/74/21/05/445742105.db2.gz KDGLABMFHDQVOH-BZUAXINKSA-N 1 0 344.415 1.610 20 5 EDBDRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000363405750 445790665 /nfs/dbraw/zinc/79/06/65/445790665.db2.gz UBEIOSPGSCDIFZ-QWRGUYRKSA-N 1 0 345.446 1.904 20 5 EDBDRO COc1c[nH+]ccc1N1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000361532384 445807916 /nfs/dbraw/zinc/80/79/16/445807916.db2.gz XHFSGORRSLROIB-UHFFFAOYSA-N 1 0 332.364 1.017 20 5 EDBDRO CO[C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C[NH3+])C1 ZINC000359046409 445909252 /nfs/dbraw/zinc/90/92/52/445909252.db2.gz RSEVVVYEOBWWJT-KBPBESRZSA-N 1 0 347.375 1.583 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000373052061 445995982 /nfs/dbraw/zinc/99/59/82/445995982.db2.gz AVJJKKOEMSTEPX-TZMCWYRMSA-N 1 0 325.390 1.108 20 5 EDBDRO Cc1cc(S(=O)(=O)NC2(C)CC[NH2+]CC2)c(C)cc1[N+](=O)[O-] ZINC000583274460 326041027 /nfs/dbraw/zinc/04/10/27/326041027.db2.gz CKYODQWLFQKVOO-UHFFFAOYSA-N 1 0 327.406 1.632 20 5 EDBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000369322882 446072504 /nfs/dbraw/zinc/07/25/04/446072504.db2.gz UJTXAGRPYCHDMJ-JGPRNRPPSA-N 1 0 345.808 1.891 20 5 EDBDRO 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/nfs/dbraw/zinc/16/62/97/446166297.db2.gz RJOSYQOXYBFCFL-ZFWWWQNUSA-N 1 0 337.376 1.625 20 5 EDBDRO CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000362028985 446166376 /nfs/dbraw/zinc/16/63/76/446166376.db2.gz RJOSYQOXYBFCFL-UKRRQHHQSA-N 1 0 337.376 1.625 20 5 EDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000362030917 446167290 /nfs/dbraw/zinc/16/72/90/446167290.db2.gz YMFBPWGLEHEGNN-VNQPRFMTSA-N 1 0 340.376 1.118 20 5 EDBDRO Cc1cc(NC(=O)CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)no1 ZINC000369693551 446147741 /nfs/dbraw/zinc/14/77/41/446147741.db2.gz UBDBUZIXZFAMIW-UHFFFAOYSA-N 1 0 348.363 1.753 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000366330783 446157933 /nfs/dbraw/zinc/15/79/33/446157933.db2.gz MLEGDFYEAWCRPL-KOLCDFICSA-N 1 0 345.808 1.621 20 5 EDBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354427483 446197067 /nfs/dbraw/zinc/19/70/67/446197067.db2.gz KAPJODYIZAEKMS-UHFFFAOYSA-N 1 0 344.375 1.702 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000376189067 446372692 /nfs/dbraw/zinc/37/26/92/446372692.db2.gz RWPGKHQLVWTWLL-QWHCGFSZSA-N 1 0 349.387 1.965 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418082079 446434156 /nfs/dbraw/zinc/43/41/56/446434156.db2.gz HYIJRAGWCISIGS-YGRLFVJLSA-N 1 0 346.391 1.882 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418084485 446436225 /nfs/dbraw/zinc/43/62/25/446436225.db2.gz QLMLVPCIWYXQOO-GXSJLCMTSA-N 1 0 332.364 1.411 20 5 EDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000418084639 446436302 /nfs/dbraw/zinc/43/63/02/446436302.db2.gz QXBMYFXPMIJGQT-QWRGUYRKSA-N 1 0 346.391 1.788 20 5 EDBDRO COC[C@@]1(CNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000417972635 446404381 /nfs/dbraw/zinc/40/43/81/446404381.db2.gz BTFDDTZTEOIYLB-WBMJQRKESA-N 1 0 336.392 1.724 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000366949954 446422917 /nfs/dbraw/zinc/42/29/17/446422917.db2.gz BPOFGDLKTWFTPE-FZMZJTMJSA-N 1 0 347.350 1.553 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000375016741 446517313 /nfs/dbraw/zinc/51/73/13/446517313.db2.gz FXDODVQTRFZYMU-CJNGLKHVSA-N 1 0 332.404 1.949 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000376482002 446524495 /nfs/dbraw/zinc/52/44/95/446524495.db2.gz PJVDHDGXXHDYJS-QWHCGFSZSA-N 1 0 332.360 1.276 20 5 EDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418399626 446528995 /nfs/dbraw/zinc/52/89/95/446528995.db2.gz DXWXTBWVNIKQBB-FZMZJTMJSA-N 1 0 334.376 1.626 20 5 EDBDRO O=C1[C@H](N2CCC[C@]3(CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420360605 446540939 /nfs/dbraw/zinc/54/09/39/446540939.db2.gz GJZKOMOPWFYKNE-SJLPKXTDSA-N 1 0 344.415 1.776 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420379099 446555633 /nfs/dbraw/zinc/55/56/33/446555633.db2.gz MNNSNINTAUCIKI-OAHLLOKOSA-N 1 0 346.391 1.491 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000420395593 446569974 /nfs/dbraw/zinc/56/99/74/446569974.db2.gz LLENMOZEOPVGHA-NEPJUHHUSA-N 1 0 336.392 1.614 20 5 EDBDRO C[C@H](C[S@@](C)=O)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411511328 446578772 /nfs/dbraw/zinc/57/87/72/446578772.db2.gz IVDLXNAGRXSQMD-RKFFSXRUSA-N 1 0 327.406 1.622 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420416421 446590522 /nfs/dbraw/zinc/59/05/22/446590522.db2.gz BBYYQYOYUAAYQJ-YPMHNXCESA-N 1 0 327.406 1.055 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000376596103 446597311 /nfs/dbraw/zinc/59/73/11/446597311.db2.gz BDQIARLEJVQBRN-HNNXBMFYSA-N 1 0 337.376 1.329 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000420422625 446597595 /nfs/dbraw/zinc/59/75/95/446597595.db2.gz GJZOHCRHMPIETG-ZYHUDNBSSA-N 1 0 327.406 1.488 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000411594351 446619871 /nfs/dbraw/zinc/61/98/71/446619871.db2.gz ZVHYGJAMJFMQLE-RISCZKNCSA-N 1 0 332.360 1.004 20 5 EDBDRO CC[C@@]1([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCOC1 ZINC000616487756 450434269 /nfs/dbraw/zinc/43/42/69/450434269.db2.gz YMVIGZJEYJPFBF-MRXNPFEDSA-N 1 0 338.360 1.805 20 5 EDBDRO COCC[C@]1([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCOC1 ZINC000411636529 446630799 /nfs/dbraw/zinc/63/07/99/446630799.db2.gz DOAUGBZEQSOFGK-INIZCTEOSA-N 1 0 337.376 1.709 20 5 EDBDRO CN1CC[NH2+]C[C@H]1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418766831 446684931 /nfs/dbraw/zinc/68/49/31/446684931.db2.gz QEPXYCZBTIGMJT-INIZCTEOSA-N 1 0 347.419 1.172 20 5 EDBDRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000368176919 446686426 /nfs/dbraw/zinc/68/64/26/446686426.db2.gz CXGBGBVHASQMDL-UHFFFAOYSA-N 1 0 339.417 1.844 20 5 EDBDRO CCN1CCC([N@@H+]2CCCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000420627593 446708802 /nfs/dbraw/zinc/70/88/02/446708802.db2.gz NSAGAQMQCYKFHV-UHFFFAOYSA-N 1 0 333.436 1.986 20 5 EDBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000411956065 446758885 /nfs/dbraw/zinc/75/88/85/446758885.db2.gz QXYQCFCHZUJRFI-CYBMUJFWSA-N 1 0 348.403 1.642 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@H]2CCOC[C@H]21 ZINC000368321687 446785489 /nfs/dbraw/zinc/78/54/89/446785489.db2.gz NVGSTUIIELNMQV-CVEARBPZSA-N 1 0 349.387 1.722 20 5 EDBDRO Cc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000371348985 446795234 /nfs/dbraw/zinc/79/52/34/446795234.db2.gz DWKCJPBHRHKNDM-CABCVRRESA-N 1 0 333.436 1.760 20 5 EDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000424007203 446820659 /nfs/dbraw/zinc/82/06/59/446820659.db2.gz BSXZHRNIOLDAMJ-DGCLKSJQSA-N 1 0 339.417 1.652 20 5 EDBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1ccc([N+](=O)[O-])cc1F ZINC000454280952 446833105 /nfs/dbraw/zinc/83/31/05/446833105.db2.gz UYISSUGGQZXBRW-GFCCVEGCSA-N 1 0 340.355 1.702 20 5 EDBDRO CC(C)Oc1cc(C(=O)NC[C@](C)(O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000412203736 446897114 /nfs/dbraw/zinc/89/71/14/446897114.db2.gz GTIHHHXGUWIVSB-INIZCTEOSA-N 1 0 339.392 1.424 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000420940574 446914122 /nfs/dbraw/zinc/91/41/22/446914122.db2.gz DQKMUQHBLBQQBV-JQWIXIFHSA-N 1 0 336.314 1.817 20 5 EDBDRO C[C@H](NC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000419152931 446969724 /nfs/dbraw/zinc/96/97/24/446969724.db2.gz OVSSXBYCDWKGDS-SLEUVZQESA-N 1 0 348.403 1.358 20 5 EDBDRO O=[N+]([O-])c1c(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)nc2sccn21 ZINC000375771816 447037249 /nfs/dbraw/zinc/03/72/49/447037249.db2.gz KWHFDSGPRYACAV-WDEREUQCSA-N 1 0 337.405 1.339 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000419272032 447048089 /nfs/dbraw/zinc/04/80/89/447048089.db2.gz PDSWCINYQNIEGX-GXTWGEPZSA-N 1 0 348.403 1.339 20 5 EDBDRO COC(=O)CNC(=O)[C@@H]1CCCN1Cc1cccc([N+](=O)[O-])c1C ZINC000419344516 447110373 /nfs/dbraw/zinc/11/03/73/447110373.db2.gz ILWLPAUBBPKCCZ-AWEZNQCLSA-N 1 0 335.360 1.157 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H]3CNc4ccnn4C3)C2)nc1 ZINC000619266192 450438974 /nfs/dbraw/zinc/43/89/74/450438974.db2.gz ZZAKQUVKULZMFC-STQMWFEESA-N 1 0 343.391 1.414 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](c2nnc[nH]2)C1 ZINC000425540008 447217824 /nfs/dbraw/zinc/21/78/24/447217824.db2.gz DPOGWBWXTMCCIP-SNVBAGLBSA-N 1 0 346.347 1.150 20 5 EDBDRO O=C(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000372806084 447292666 /nfs/dbraw/zinc/29/26/66/447292666.db2.gz PBOJIALUKPBQSH-RHSMWYFYSA-N 1 0 331.372 1.641 20 5 EDBDRO CCOCCOC[C@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447598112 447280096 /nfs/dbraw/zinc/28/00/96/447280096.db2.gz GPGDMZYZXYZAQV-NVXWUHKLSA-N 1 0 338.404 1.976 20 5 EDBDRO CCC(CC)(C[NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000392453537 447523820 /nfs/dbraw/zinc/52/38/20/447523820.db2.gz FHTVNQDLHHYNPO-UHFFFAOYSA-N 1 0 335.408 1.404 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000427025052 447530772 /nfs/dbraw/zinc/53/07/72/447530772.db2.gz WXGKNDLEJLESSF-UHFFFAOYSA-N 1 0 337.376 1.038 20 5 EDBDRO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC1([NH3+])CCCCC1 ZINC000420127115 447619828 /nfs/dbraw/zinc/61/98/28/447619828.db2.gz RORSJWIVWRUFBT-UHFFFAOYSA-N 1 0 328.394 1.316 20 5 EDBDRO [NH3+]CCNC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416886590 447701523 /nfs/dbraw/zinc/70/15/23/447701523.db2.gz MYUITJZRPYWLLH-UHFFFAOYSA-N 1 0 335.286 1.283 20 5 EDBDRO NS(=O)(=O)c1cccc(NCC[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000420185970 447660109 /nfs/dbraw/zinc/66/01/09/447660109.db2.gz CDMNYHQQOYSTJD-SNVBAGLBSA-N 1 0 328.394 1.044 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420188685 447661844 /nfs/dbraw/zinc/66/18/44/447661844.db2.gz OMBQBZSALJNZOQ-ZBFHGGJFSA-N 1 0 348.447 1.991 20 5 EDBDRO NS(=O)(=O)c1cc(NCC[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000420188657 447662238 /nfs/dbraw/zinc/66/22/38/447662238.db2.gz FSFDCNMMLFRJGT-JTQLQIEISA-N 1 0 328.394 1.044 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)N(CCO)C[C@H]1C ZINC000416719919 447678466 /nfs/dbraw/zinc/67/84/66/447678466.db2.gz DPFUOEFTDUUUSC-CHWSQXEVSA-N 1 0 336.392 1.822 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000422635288 447681342 /nfs/dbraw/zinc/68/13/42/447681342.db2.gz SJBNSFHKUALSKS-CQSZACIVSA-N 1 0 332.404 1.331 20 5 EDBDRO COC(=O)[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451101850 447684361 /nfs/dbraw/zinc/68/43/61/447684361.db2.gz GQLCQZWBWDNMDZ-NHYWBVRUSA-N 1 0 337.376 1.559 20 5 EDBDRO CC(C)(C(=O)NCc1ccc2c[nH+]cn2c1)n1cc([N+](=O)[O-])cn1 ZINC000457973729 447688711 /nfs/dbraw/zinc/68/87/11/447688711.db2.gz JQOMNCGVIPGNGA-UHFFFAOYSA-N 1 0 328.332 1.491 20 5 EDBDRO CC(C)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cnn(C)c1 ZINC000459601683 447719022 /nfs/dbraw/zinc/71/90/22/447719022.db2.gz YQEODCIRTXFMDX-UHFFFAOYSA-N 1 0 333.392 1.648 20 5 EDBDRO C[C@@H](C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000459812716 447762645 /nfs/dbraw/zinc/76/26/45/447762645.db2.gz SDKTWMLEGWAPTK-AAEUAGOBSA-N 1 0 342.396 1.062 20 5 EDBDRO CC(C)[C@](C)(CN)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430594616 447782441 /nfs/dbraw/zinc/78/24/41/447782441.db2.gz LAJPBGWVIIMQRC-INIZCTEOSA-N 1 0 336.392 1.856 20 5 EDBDRO C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]1 ZINC000423037907 447795994 /nfs/dbraw/zinc/79/59/94/447795994.db2.gz NNFDBNPHWGKAKU-BXUZGUMPSA-N 1 0 327.406 1.099 20 5 EDBDRO CC(C)[C@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@@H+]1C ZINC000487951954 447838855 /nfs/dbraw/zinc/83/88/55/447838855.db2.gz IEBVFVAVGJSEID-DLBZAZTESA-N 1 0 346.431 1.972 20 5 EDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000552103631 447935279 /nfs/dbraw/zinc/93/52/79/447935279.db2.gz KNMPULPBZCNKKN-NEPJUHHUSA-N 1 0 340.405 1.237 20 5 EDBDRO COc1ccc(CC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000525540231 448004411 /nfs/dbraw/zinc/00/44/11/448004411.db2.gz NCJWOUWIXGMGCI-TZMCWYRMSA-N 1 0 335.404 1.945 20 5 EDBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000576085363 447966486 /nfs/dbraw/zinc/96/64/86/447966486.db2.gz KVBADPBQTQEQMM-CYBMUJFWSA-N 1 0 336.392 1.839 20 5 EDBDRO CN(C[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000496928814 448046134 /nfs/dbraw/zinc/04/61/34/448046134.db2.gz WUKLUJXMQIGGSQ-AWEZNQCLSA-N 1 0 339.392 1.912 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2C2(O)CC2)c1 ZINC000571381316 448143995 /nfs/dbraw/zinc/14/39/95/448143995.db2.gz BHWUMNNEYYRCNF-GDBMZVCRSA-N 1 0 336.388 1.714 20 5 EDBDRO CC(C)(CO)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576943101 448176690 /nfs/dbraw/zinc/17/66/90/448176690.db2.gz AFTBQBFMIXOKJZ-UHFFFAOYSA-N 1 0 330.406 1.367 20 5 EDBDRO CNc1nccc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000557522955 448185221 /nfs/dbraw/zinc/18/52/21/448185221.db2.gz HBYOKIHDLJIOBD-VXGBXAGGSA-N 1 0 335.408 1.882 20 5 EDBDRO Cc1cc(C)cc(OC[C@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000577099185 448210604 /nfs/dbraw/zinc/21/06/04/448210604.db2.gz ZOXWDIUDIHSQJA-OAHLLOKOSA-N 1 0 334.376 1.438 20 5 EDBDRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])s3)C2)nn1 ZINC000571881314 448226422 /nfs/dbraw/zinc/22/64/22/448226422.db2.gz YQNQUVKCIHFRKJ-JTQLQIEISA-N 1 0 336.377 1.184 20 5 EDBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591146489 448272024 /nfs/dbraw/zinc/27/20/24/448272024.db2.gz BTPAQJWFXHDMNC-ZDUSSCGKSA-N 1 0 337.399 1.735 20 5 EDBDRO NC(=O)[C@H]1CCC[N@H+](CCCN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000577389016 448284569 /nfs/dbraw/zinc/28/45/69/448284569.db2.gz UKKRMNDVFZMWGX-BBRMVZONSA-N 1 0 346.431 1.759 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])c1 ZINC000591447848 448365786 /nfs/dbraw/zinc/36/57/86/448365786.db2.gz APQRONQMRUKETH-BXUZGUMPSA-N 1 0 334.376 1.226 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@H]3CC[NH2+][C@@H]3C2)cccc1[N+](=O)[O-] ZINC000591449586 448367957 /nfs/dbraw/zinc/36/79/57/448367957.db2.gz XFLAZQUIORHCPP-GZBFAFLISA-N 1 0 332.404 1.914 20 5 EDBDRO O=C(CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)NC1CCCC1 ZINC000516562560 448438381 /nfs/dbraw/zinc/43/83/81/448438381.db2.gz QQKLLRUFGDUCAJ-UHFFFAOYSA-N 1 0 347.419 1.561 20 5 EDBDRO CC[C@H](CN1CCCC1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591742877 448479178 /nfs/dbraw/zinc/47/91/78/448479178.db2.gz OTZKBVWNTOMWDI-GDBMZVCRSA-N 1 0 337.420 1.799 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2COc3c2cccc3Cl)c1 ZINC000591754069 448481064 /nfs/dbraw/zinc/48/10/64/448481064.db2.gz ZISFGZANSNSXLI-MFKMUULPSA-N 1 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O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000578764929 448632095 /nfs/dbraw/zinc/63/20/95/448632095.db2.gz WXEBDFYRQAKTQP-KRWDZBQOSA-N 1 0 344.371 1.263 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000592244389 448760985 /nfs/dbraw/zinc/76/09/85/448760985.db2.gz BULGKWDFMVIDOX-OAHLLOKOSA-N 1 0 349.387 1.842 20 5 EDBDRO CCc1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000592368872 448809300 /nfs/dbraw/zinc/80/93/00/448809300.db2.gz FATCUJWPKYUINH-GFCCVEGCSA-N 1 0 341.433 1.825 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C)([NH3+])CC1 ZINC000592379574 448812444 /nfs/dbraw/zinc/81/24/44/448812444.db2.gz QYTTXKWNFDVMSS-UHFFFAOYSA-N 1 0 329.378 1.105 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592307962 448784561 /nfs/dbraw/zinc/78/45/61/448784561.db2.gz LAWZKMNILRGZLX-UHIISALHSA-N 1 0 339.417 1.650 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000592383601 448817019 /nfs/dbraw/zinc/81/70/19/448817019.db2.gz MMBIACOLRUSKST-PWSUYJOCSA-N 1 0 327.406 1.576 20 5 EDBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000592430712 448832642 /nfs/dbraw/zinc/83/26/42/448832642.db2.gz CJDCQYRIVBYFQF-MKPLZMMCSA-N 1 0 338.282 1.236 20 5 EDBDRO CC[C@H](C[NH+]1CCCC1)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000587979784 448849228 /nfs/dbraw/zinc/84/92/28/448849228.db2.gz MSQUSKSFOPNLRQ-LLVKDONJSA-N 1 0 331.376 2.530 20 5 EDBDRO CC[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH3+] ZINC000592487902 448857939 /nfs/dbraw/zinc/85/79/39/448857939.db2.gz BQMFLSOQXBINRR-IUODEOHRSA-N 1 0 332.404 1.543 20 5 EDBDRO Cc1ccc2oc(C[NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)cc2c1 ZINC000579973340 448927473 /nfs/dbraw/zinc/92/74/73/448927473.db2.gz ZVFCZVJFMURQBU-AWEZNQCLSA-N 1 0 330.344 1.997 20 5 EDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000520824159 448934120 /nfs/dbraw/zinc/93/41/20/448934120.db2.gz PQNIPNFTZQSOIX-LLVKDONJSA-N 1 0 335.360 1.438 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NCC2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000569117117 448965697 /nfs/dbraw/zinc/96/56/97/448965697.db2.gz FLECFRWUZJETKI-UHFFFAOYSA-N 1 0 335.360 1.501 20 5 EDBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588859990 448941989 /nfs/dbraw/zinc/94/19/89/448941989.db2.gz AGNLWQXZWRDTJP-NWDGAFQWSA-N 1 0 339.779 1.529 20 5 EDBDRO CCCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H]1CC[N@H+](C)C1 ZINC000592829779 449007933 /nfs/dbraw/zinc/00/79/33/449007933.db2.gz YOSNXECXXZCFEE-GFCCVEGCSA-N 1 0 335.360 1.880 20 5 EDBDRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1c([N+](=O)[O-])ncn1C ZINC000548347885 449028754 /nfs/dbraw/zinc/02/87/54/449028754.db2.gz RGQCFXORHYYDBK-GXTWGEPZSA-N 1 0 347.423 1.581 20 5 EDBDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000582176132 449029146 /nfs/dbraw/zinc/02/91/46/449029146.db2.gz CTRCXGDKMBITGH-YUELXQCFSA-N 1 0 326.397 1.193 20 5 EDBDRO 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COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000593035109 449110224 /nfs/dbraw/zinc/11/02/24/449110224.db2.gz XUKVUYHQIZRSRR-LBPRGKRZSA-N 1 0 345.359 1.797 20 5 EDBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599939722 449118328 /nfs/dbraw/zinc/11/83/28/449118328.db2.gz YIFUAYLVDVPABM-VXGBXAGGSA-N 1 0 344.371 1.357 20 5 EDBDRO NC(=O)c1ccc(C[NH+]2CCC(Cn3cnnc3)CC2)c([N+](=O)[O-])c1 ZINC000593075945 449124855 /nfs/dbraw/zinc/12/48/55/449124855.db2.gz JSIMFMVHGOZEDZ-UHFFFAOYSA-N 1 0 344.375 1.197 20 5 EDBDRO O=C(C[NH2+][C@@H]1C[C@H](O)C12CCC2)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595777462 449159687 /nfs/dbraw/zinc/15/96/87/449159687.db2.gz HCUQSVWSHQMNLR-KGLIPLIRSA-N 1 0 349.343 1.155 20 5 EDBDRO O=C(C[NH2+][C@@H]1C[C@H](O)C12CCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595779224 449161073 /nfs/dbraw/zinc/16/10/73/449161073.db2.gz ARMREWOXFFHJDS-CABCVRRESA-N 1 0 331.372 1.377 20 5 EDBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000590390427 449145038 /nfs/dbraw/zinc/14/50/38/449145038.db2.gz ZPBVUBJJSBJBJP-CYBMUJFWSA-N 1 0 333.388 1.920 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000590537074 449180853 /nfs/dbraw/zinc/18/08/53/449180853.db2.gz ZRMFMHPCIDUJDX-HZPDHXFCSA-N 1 0 343.387 1.993 20 5 EDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000590588679 449203739 /nfs/dbraw/zinc/20/37/39/449203739.db2.gz HTXCICXIKPHDKA-WCQYABFASA-N 1 0 327.406 1.449 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000590589696 449204519 /nfs/dbraw/zinc/20/45/19/449204519.db2.gz MNAHIXOQYPGWEI-UHFFFAOYSA-N 1 0 347.412 1.908 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)cc([N+](=O)[O-])c1C ZINC000590548914 449183199 /nfs/dbraw/zinc/18/31/99/449183199.db2.gz HYXRXRGZXKXZMV-ZIAGYGMSSA-N 1 0 349.387 1.193 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3C[C@@H](CO)[C@H](CO)C3)o2)c1 ZINC000600189372 449234842 /nfs/dbraw/zinc/23/48/42/449234842.db2.gz FUCKTIBWRZXWGT-KBPBESRZSA-N 1 0 332.356 1.887 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595907422 449246359 /nfs/dbraw/zinc/24/63/59/449246359.db2.gz UGTMYIDOQQDDIV-VXGBXAGGSA-N 1 0 340.355 1.303 20 5 EDBDRO CN([C@H](C[NH3+])C(F)(F)F)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000595908092 449246794 /nfs/dbraw/zinc/24/67/94/449246794.db2.gz MSFXRPCZROTTHL-VXGBXAGGSA-N 1 0 346.309 1.522 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595935403 449264458 /nfs/dbraw/zinc/26/44/58/449264458.db2.gz CWFHCDHVVRXMOB-GFCCVEGCSA-N 1 0 334.376 1.547 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595935407 449264652 /nfs/dbraw/zinc/26/46/52/449264652.db2.gz CWFHCDHVVRXMOB-LBPRGKRZSA-N 1 0 334.376 1.547 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595936089 449265266 /nfs/dbraw/zinc/26/52/66/449265266.db2.gz MVLIELHCRHBZFY-LBPRGKRZSA-N 1 0 334.376 1.547 20 5 EDBDRO CN(CC(C)(C)[NH3+])C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000595936452 449265665 /nfs/dbraw/zinc/26/56/65/449265665.db2.gz ZFYBQLOJKJBXGE-UHFFFAOYSA-N 1 0 336.392 1.241 20 5 EDBDRO CN(CC1C[NH+](C)C1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000598163366 449267277 /nfs/dbraw/zinc/26/72/77/449267277.db2.gz NZTLYNMCNBIHNS-UHFFFAOYSA-N 1 0 329.360 1.414 20 5 EDBDRO [NH3+]CC12CC(C1)CN2C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000595942527 449268839 /nfs/dbraw/zinc/26/88/39/449268839.db2.gz JKCHRCVFKYTAKJ-UHFFFAOYSA-N 1 0 340.177 1.921 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000593918096 449285914 /nfs/dbraw/zinc/28/59/14/449285914.db2.gz AMZXWLHRVZYZBN-UXIGCNINSA-N 1 0 336.392 1.434 20 5 EDBDRO C[NH2+]C[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000595982660 449297410 /nfs/dbraw/zinc/29/74/10/449297410.db2.gz LAVAEXOAWXBDKF-MRVPVSSYSA-N 1 0 330.182 1.624 20 5 EDBDRO CC[NH+]1CCN(CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593464556 449297873 /nfs/dbraw/zinc/29/78/73/449297873.db2.gz LFANHBITBJPFSG-UHFFFAOYSA-N 1 0 338.383 1.030 20 5 EDBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000600315270 449315997 /nfs/dbraw/zinc/31/59/97/449315997.db2.gz QVGAJYWXHRNBQO-LBPRGKRZSA-N 1 0 349.387 1.828 20 5 EDBDRO C[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1CC[NH+](C)CC1 ZINC000611514155 449316976 /nfs/dbraw/zinc/31/69/76/449316976.db2.gz JTIRTBBYYVKETA-JTQLQIEISA-N 1 0 335.360 1.784 20 5 EDBDRO CC(C)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000611395716 449280317 /nfs/dbraw/zinc/28/03/17/449280317.db2.gz SVVNEWFXSGJPHY-HNNXBMFYSA-N 1 0 348.403 1.430 20 5 EDBDRO Nc1c(C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cccc1[N+](=O)[O-] ZINC000593911899 449280709 /nfs/dbraw/zinc/28/07/09/449280709.db2.gz IRYNFJNEHMPMPL-HUBLWGQQSA-N 1 0 348.403 1.536 20 5 EDBDRO Cc1n[nH]c(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1[N+](=O)[O-] ZINC000593918472 449285766 /nfs/dbraw/zinc/28/57/66/449285766.db2.gz DUGMHGUVFQNBLY-UTUOFQBUSA-N 1 0 337.380 1.127 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000594105963 449356938 /nfs/dbraw/zinc/35/69/38/449356938.db2.gz KQAZGXRMDSCCCI-PHIMTYICSA-N 1 0 335.360 1.436 20 5 EDBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](C)[NH+](C)C ZINC000596088894 449357270 /nfs/dbraw/zinc/35/72/70/449357270.db2.gz AHTWQZXIGGNOFQ-LLVKDONJSA-N 1 0 344.437 1.645 20 5 EDBDRO O=c1[nH]ccc(N2CCC(CC[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000596098813 449361140 /nfs/dbraw/zinc/36/11/40/449361140.db2.gz UHNFZLNGPRYSQA-UHFFFAOYSA-N 1 0 336.392 1.634 20 5 EDBDRO CCC[N@H+](C)CC(C)(C)NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000598465704 449408704 /nfs/dbraw/zinc/40/87/04/449408704.db2.gz JEBHKPLGJPWBLB-UHFFFAOYSA-N 1 0 325.413 1.726 20 5 EDBDRO CC[C@H](C(=O)N[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000600540243 449431918 /nfs/dbraw/zinc/43/19/18/449431918.db2.gz FYGHEVHXXUCQIP-CJNGLKHVSA-N 1 0 337.376 1.439 20 5 EDBDRO CSC1(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[NH+](C)CC1 ZINC000596239111 449433366 /nfs/dbraw/zinc/43/33/66/449433366.db2.gz XEOZZYPMOBFHKW-UHFFFAOYSA-N 1 0 338.433 1.933 20 5 EDBDRO O=[N+]([O-])c1cncc(Cl)c1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000596168197 449393618 /nfs/dbraw/zinc/39/36/18/449393618.db2.gz QHZAOZGQKSGPDC-LLVKDONJSA-N 1 0 326.784 1.730 20 5 EDBDRO CCC[N@H+](CC)CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598603619 449487466 /nfs/dbraw/zinc/48/74/66/449487466.db2.gz XJEILOWNZOVEAP-UHFFFAOYSA-N 1 0 338.412 1.365 20 5 EDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000596487869 449525503 /nfs/dbraw/zinc/52/55/03/449525503.db2.gz GQTTXTHAIDSEFP-HNNXBMFYSA-N 1 0 334.376 1.658 20 5 EDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598667938 449529949 /nfs/dbraw/zinc/52/99/49/449529949.db2.gz IGQBQNOXWLWSTD-GFCCVEGCSA-N 1 0 337.380 1.206 20 5 EDBDRO C[C@@](CO)([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000612074405 449553344 /nfs/dbraw/zinc/55/33/44/449553344.db2.gz SJBXQPXHYKKQHU-QAPCUYQASA-N 1 0 346.383 1.832 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594474972 449540078 /nfs/dbraw/zinc/54/00/78/449540078.db2.gz PNXAOCMSSAXKKI-TXEJJXNPSA-N 1 0 327.406 1.522 20 5 EDBDRO CN(C)C(=O)CN(CC[NH+](C)C)c1ncc([N+](=O)[O-])cc1Cl ZINC000596463808 449515946 /nfs/dbraw/zinc/51/59/46/449515946.db2.gz SMZURIWVQQQOFJ-UHFFFAOYSA-N 1 0 329.788 1.099 20 5 EDBDRO C[NH2+]C1(CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CCC1 ZINC000600825449 449566231 /nfs/dbraw/zinc/56/62/31/449566231.db2.gz URVOXNXXDWNNLW-UHFFFAOYSA-N 1 0 344.371 1.780 20 5 EDBDRO C[NH2+][C@@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602420788 449574055 /nfs/dbraw/zinc/57/40/55/449574055.db2.gz GYSIDEYDTUCONQ-MRVPVSSYSA-N 1 0 328.166 1.791 20 5 EDBDRO CO[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@](C)(C[NH3+])C1 ZINC000600886990 449585693 /nfs/dbraw/zinc/58/56/93/449585693.db2.gz VITGNCZHFMGZJB-WFASDCNBSA-N 1 0 339.417 1.652 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000598715019 449558758 /nfs/dbraw/zinc/55/87/58/449558758.db2.gz LPLXFHCLVNGCGW-OLZOCXBDSA-N 1 0 339.417 1.584 20 5 EDBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)[C@@H]1C ZINC000602490661 449629165 /nfs/dbraw/zinc/62/91/65/449629165.db2.gz CVFCRUXLLBTZCE-GHMZBOCLSA-N 1 0 347.350 1.742 20 5 EDBDRO CC(C)(C[NH3+])Cn1cc(CNC(=O)Nc2ccccc2[N+](=O)[O-])nn1 ZINC000594652462 449608241 /nfs/dbraw/zinc/60/82/41/449608241.db2.gz NUEUEILVMPETSV-UHFFFAOYSA-N 1 0 347.379 1.493 20 5 EDBDRO C[NH2+]CCOCCN(C)c1c(Br)cncc1[N+](=O)[O-] ZINC000600954152 449615003 /nfs/dbraw/zinc/61/50/03/449615003.db2.gz PXDGPWJOHIIQBR-UHFFFAOYSA-N 1 0 333.186 1.425 20 5 EDBDRO C[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)C[NH+]1CCN(C)CC1 ZINC000602542079 449661911 /nfs/dbraw/zinc/66/19/11/449661911.db2.gz SJVKPWPLJXQWJJ-CYBMUJFWSA-N 1 0 347.419 1.709 20 5 EDBDRO O=[N+]([O-])c1cccnc1S(=O)(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594755528 449670570 /nfs/dbraw/zinc/67/05/70/449670570.db2.gz WPNYHVFLPRDPKH-LBPRGKRZSA-N 1 0 340.405 1.239 20 5 EDBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ncccc2[N+](=O)[O-])C[C@@H]1C ZINC000594760787 449674559 /nfs/dbraw/zinc/67/45/59/449674559.db2.gz SYDRWXPJBNKTQG-NWDGAFQWSA-N 1 0 342.421 1.483 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000602570706 449680431 /nfs/dbraw/zinc/68/04/31/449680431.db2.gz HUCVOESXAREVMJ-ATZCPNFKSA-N 1 0 327.768 1.882 20 5 EDBDRO NC(=O)[C@@H]1CCCN1CCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000598990225 449683315 /nfs/dbraw/zinc/68/33/15/449683315.db2.gz KWBDZCYQHDWWIU-QTONRWBISA-N 1 0 332.404 1.537 20 5 EDBDRO COC[C@]1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCC[NH2+]1 ZINC000598913291 449644119 /nfs/dbraw/zinc/64/41/19/449644119.db2.gz ISSSDIPHKKKISI-CQSZACIVSA-N 1 0 326.328 1.624 20 5 EDBDRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000598913281 449644399 /nfs/dbraw/zinc/64/43/99/449644399.db2.gz HUEWGFJFYKHTDM-AWEZNQCLSA-N 1 0 345.363 1.514 20 5 EDBDRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598914119 449644611 /nfs/dbraw/zinc/64/46/11/449644611.db2.gz ZDHXVGCMXVNRTM-SNVBAGLBSA-N 1 0 328.756 1.748 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H](C)[NH+](C)C ZINC000594818356 449727503 /nfs/dbraw/zinc/72/75/03/449727503.db2.gz XNZGVGFYTWHIBB-LLVKDONJSA-N 1 0 329.422 1.776 20 5 EDBDRO O=[N+]([O-])c1cnc2ccccc2c1NC1CC(N2CCOCC2)C1 ZINC000599095905 449728510 /nfs/dbraw/zinc/72/85/10/449728510.db2.gz YCXRGPASVCNQRD-UHFFFAOYSA-N 1 0 328.372 1.840 20 5 EDBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602587419 449689229 /nfs/dbraw/zinc/68/92/29/449689229.db2.gz GTLCIKWLBKTQMV-IUCAKERBSA-N 1 0 326.150 1.544 20 5 EDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000602594379 449693557 /nfs/dbraw/zinc/69/35/57/449693557.db2.gz ATYIZKURYWQPDN-JSGCOSHPSA-N 1 0 332.404 1.759 20 5 EDBDRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594783556 449694126 /nfs/dbraw/zinc/69/41/26/449694126.db2.gz RADIOEUVIMGDDJ-UHFFFAOYSA-N 1 0 342.421 1.485 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)c(C)c1[N+](=O)[O-] ZINC000599108370 449741129 /nfs/dbraw/zinc/74/11/29/449741129.db2.gz ZPYNGRMIZNZVKW-ZDUSSCGKSA-N 1 0 339.417 1.775 20 5 EDBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601196453 449744958 /nfs/dbraw/zinc/74/49/58/449744958.db2.gz KVVXZNIUKBIVIC-UHFFFAOYSA-N 1 0 325.340 1.311 20 5 EDBDRO CC(C)(C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000602687281 449750553 /nfs/dbraw/zinc/75/05/53/449750553.db2.gz JQXIFVSBJKPPJG-UHFFFAOYSA-N 1 0 349.435 1.223 20 5 EDBDRO C[C@H](C(=O)NCCCN1CCC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617728976 449789329 /nfs/dbraw/zinc/78/93/29/449789329.db2.gz BTLUYFZVCGZHCL-HNNXBMFYSA-N 1 0 348.447 1.842 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000602797117 449816107 /nfs/dbraw/zinc/81/61/07/449816107.db2.gz GUPTZTULBUWRQD-AWEZNQCLSA-N 1 0 338.408 1.617 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C[S@@](C)=O)c1ccccc1 ZINC000602804494 449822333 /nfs/dbraw/zinc/82/23/33/449822333.db2.gz HLWRXPZKBVOMEV-LFVRLGFBSA-N 1 0 336.417 1.809 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601329878 449837751 /nfs/dbraw/zinc/83/77/51/449837751.db2.gz NYWXEHHZYHGARY-TXEJJXNPSA-N 1 0 334.376 1.368 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])s1 ZINC000601343729 449853839 /nfs/dbraw/zinc/85/38/39/449853839.db2.gz PZWOWQLLZZGZFB-ZJUUUORDSA-N 1 0 331.419 1.337 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000595075100 449855361 /nfs/dbraw/zinc/85/53/61/449855361.db2.gz WEUCCZQKPOOWKK-ZDUSSCGKSA-N 1 0 348.403 1.831 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC1([NH3+])CCCC1 ZINC000595119552 449880110 /nfs/dbraw/zinc/88/01/10/449880110.db2.gz GJEHLBPOOPANRX-UHFFFAOYSA-N 1 0 327.406 1.761 20 5 EDBDRO COC(=O)[C@H]1C[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000597221400 449880380 /nfs/dbraw/zinc/88/03/80/449880380.db2.gz PAPFPOZPVSNILP-WZRBSPASSA-N 1 0 335.360 1.853 20 5 EDBDRO COCc1n[nH]c(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000595064743 449851458 /nfs/dbraw/zinc/85/14/58/449851458.db2.gz AWJDWDXXDATKSY-ZDUSSCGKSA-N 1 0 331.376 1.970 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[NH+](C[C@H]4CCCO4)CC3)nc2c1 ZINC000608923394 449950559 /nfs/dbraw/zinc/95/05/59/449950559.db2.gz HFJFXGFPTMMKHV-CQSZACIVSA-N 1 0 345.403 1.768 20 5 EDBDRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000599411674 449957484 /nfs/dbraw/zinc/95/74/84/449957484.db2.gz BUXFUDMEXNLHLJ-GFCCVEGCSA-N 1 0 327.406 1.605 20 5 EDBDRO CC(C)[NH2+][C@@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000609386454 450022723 /nfs/dbraw/zinc/02/27/23/450022723.db2.gz UFHXCLVTSPSVGU-OAHLLOKOSA-N 1 0 346.431 1.946 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H](C)c2nccn2C)cc1[N+](=O)[O-] ZINC000595384551 450099518 /nfs/dbraw/zinc/09/95/18/450099518.db2.gz XGTWOIRMUFTOBI-VIFPVBQESA-N 1 0 340.361 1.376 20 5 EDBDRO COc1cc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000597574631 450118511 /nfs/dbraw/zinc/11/85/11/450118511.db2.gz RFYOSPDTAFHOGC-MRXNPFEDSA-N 1 0 337.376 1.132 20 5 EDBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000597583382 450126846 /nfs/dbraw/zinc/12/68/46/450126846.db2.gz CUHLLMOOTJJSJK-LZLYRXPVSA-N 1 0 347.415 1.613 20 5 EDBDRO O=C(C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000599681845 450149113 /nfs/dbraw/zinc/14/91/13/450149113.db2.gz QGAUITFUBUBAOB-XGWLTEMNSA-N 1 0 331.372 1.329 20 5 EDBDRO COC[C@@]1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000599698344 450161596 /nfs/dbraw/zinc/16/15/96/450161596.db2.gz QYAZKYDVBVXDAU-MRXNPFEDSA-N 1 0 337.376 1.661 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)n1cc(CCN2CC[NH2+]CC2)nn1 ZINC000603252978 450180652 /nfs/dbraw/zinc/18/06/52/450180652.db2.gz YDFYRIQEPQAEJC-CQSZACIVSA-N 1 0 344.419 1.552 20 5 EDBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601686002 450170310 /nfs/dbraw/zinc/17/03/10/450170310.db2.gz SBPVWVPSHPNJLX-OAHLLOKOSA-N 1 0 333.388 1.199 20 5 EDBDRO COc1ccc(OCC[N@H+](CC(N)=O)C2CCCC2)c([N+](=O)[O-])c1 ZINC000610368604 450201819 /nfs/dbraw/zinc/20/18/19/450201819.db2.gz CAVJEKDNYLIHEF-UHFFFAOYSA-N 1 0 337.376 1.712 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCC2CS(=O)(=O)C2)n1 ZINC000618577602 450250368 /nfs/dbraw/zinc/25/03/68/450250368.db2.gz NULIDPDVVXGGJB-CHWSQXEVSA-N 1 0 342.421 1.299 20 5 EDBDRO O=[N+]([O-])c1ccc2oc(CN3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)nc2c1 ZINC000610581360 450267500 /nfs/dbraw/zinc/26/75/00/450267500.db2.gz KFUQYHKMJXLREU-GJZGRUSLSA-N 1 0 346.387 1.767 20 5 EDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2nnc3n2CCC3)n1 ZINC000616008106 450298461 /nfs/dbraw/zinc/29/84/61/450298461.db2.gz GSNWGFCUWPBUGK-RYUDHWBXSA-N 1 0 331.380 1.603 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619473288 450483595 /nfs/dbraw/zinc/48/35/95/450483595.db2.gz YGZGQJFOZGFENV-NSHDSACASA-N 1 0 343.405 1.366 20 5 EDBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619499058 450492903 /nfs/dbraw/zinc/49/29/03/450492903.db2.gz GQFXTTCFZOSUCZ-UHFFFAOYSA-N 1 0 345.421 1.566 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1([NH+](C)C)CCC1 ZINC000619498775 450493288 /nfs/dbraw/zinc/49/32/88/450493288.db2.gz UOTNUXZRCPJOPN-UHFFFAOYSA-N 1 0 343.405 1.366 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCCc2cn(C)cn2)c(C)c1[N+](=O)[O-] ZINC000598617897 490998276 /nfs/dbraw/zinc/99/82/76/490998276.db2.gz ILEMPDUOKDYOQO-UHFFFAOYSA-N 1 0 338.389 1.466 20 5 EDBDRO Cc1c(CC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000184352969 533836779 /nfs/dbraw/zinc/83/67/79/533836779.db2.gz QNFRAYDSJDMIMQ-CQSZACIVSA-N 1 0 348.447 1.588 20 5 EDBDRO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000188012509 534202903 /nfs/dbraw/zinc/20/29/03/534202903.db2.gz VLXWHGCIMJBCLO-FZKQIMNGSA-N 1 0 347.415 1.967 20 5 EDBDRO CC(C)(C)[C@@H](CCO)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000183671155 526614038 /nfs/dbraw/zinc/61/40/38/526614038.db2.gz XZCIMUFKMKNSID-OAHLLOKOSA-N 1 0 335.404 1.871 20 5 EDBDRO CC1([C@H]2CCC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)OCCO1 ZINC000183904817 528057587 /nfs/dbraw/zinc/05/75/87/528057587.db2.gz NFPPEEUZDZNGDR-AWEZNQCLSA-N 1 0 349.387 1.669 20 5 EDBDRO CC[NH+](CC)CC(=O)N1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000190324782 528085855 /nfs/dbraw/zinc/08/58/55/528085855.db2.gz YBPWVRQRDYDAMO-UHFFFAOYSA-N 1 0 327.410 1.042 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000183941540 528546114 /nfs/dbraw/zinc/54/61/14/528546114.db2.gz XVMHOOSTEFKJHM-UHFFFAOYSA-N 1 0 349.309 1.658 20 5 EDBDRO CCOC(=O)CN(C)C(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181832733 528785175 /nfs/dbraw/zinc/78/51/75/528785175.db2.gz LSAKUFBAHRYXBU-LBPRGKRZSA-N 1 0 337.376 1.575 20 5 EDBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181900266 529238189 /nfs/dbraw/zinc/23/81/89/529238189.db2.gz HHAGNPLTBNRXLX-SQWLQELKSA-N 1 0 338.404 1.960 20 5 EDBDRO CC[NH+]1CCC(N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000077248913 535457185 /nfs/dbraw/zinc/45/71/85/535457185.db2.gz ZNVAKKFJZAGUOU-UHFFFAOYSA-N 1 0 334.420 1.974 20 5 EDBDRO CCN1CC[NH+](CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000074137507 535688658 /nfs/dbraw/zinc/68/86/58/535688658.db2.gz DQEKKZHYNFNGOI-UHFFFAOYSA-N 1 0 348.447 1.671 20 5 EDBDRO C[NH+](C)CCOCCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000345967582 535899221 /nfs/dbraw/zinc/89/92/21/535899221.db2.gz UXMBQYNBFPKLMR-UHFFFAOYSA-N 1 0 349.309 1.922 20 5 EDBDRO C[NH+](C)CCOc1cnccc1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000345298829 535918248 /nfs/dbraw/zinc/91/82/48/535918248.db2.gz MTLMHEWYFKXWJP-UHFFFAOYSA-N 1 0 334.332 1.453 20 5 EDBDRO CNS(=O)(=O)c1ccc(NC2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000262030223 536318974 /nfs/dbraw/zinc/31/89/74/536318974.db2.gz YQUPRHMVSKBKAH-UHFFFAOYSA-N 1 0 328.394 1.185 20 5 EDBDRO C[NH2+]CCC1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000262093318 536445388 /nfs/dbraw/zinc/44/53/88/536445388.db2.gz SALWYVAHCRETBU-UHFFFAOYSA-N 1 0 334.420 1.879 20 5 EDBDRO O=C1NCCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725850134 578289444 /nfs/dbraw/zinc/28/94/44/578289444.db2.gz MFMRCTJGNCCTCX-AWEZNQCLSA-N 1 0 332.404 1.953 20 5 EDBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736295987 578973806 /nfs/dbraw/zinc/97/38/06/578973806.db2.gz ZMIKYPKWYFGAAC-ZYHUDNBSSA-N 1 0 329.364 1.448 20 5 EDBDRO O=C1NCCCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000764847037 580129760 /nfs/dbraw/zinc/12/97/60/580129760.db2.gz APQKVORDJCQEIJ-MRXNPFEDSA-N 1 0 332.404 1.822 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)OCC[N@H+](C)Cc2ccc(F)cc2)n1 ZINC000769131496 580229479 /nfs/dbraw/zinc/22/94/79/580229479.db2.gz PAWRWNNTPJZHIJ-UHFFFAOYSA-N 1 0 336.323 1.756 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000780866793 580535854 /nfs/dbraw/zinc/53/58/54/580535854.db2.gz LWIJIQKHTOTRGB-LLVKDONJSA-N 1 0 343.405 1.366 20 5 EDBDRO CN(C)C(=O)CC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000781347231 580547262 /nfs/dbraw/zinc/54/72/62/580547262.db2.gz QKGOEIIQQYXDOG-MRXNPFEDSA-N 1 0 335.404 1.819 20 5 EDBDRO CC[N@H+](CCNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C(C)C ZINC000781970782 580562057 /nfs/dbraw/zinc/56/20/57/580562057.db2.gz RMEWQCZHPATYRB-INIZCTEOSA-N 1 0 348.403 1.934 20 5 EDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCOCCS(C)(=O)=O ZINC000786811512 580679904 /nfs/dbraw/zinc/67/99/04/580679904.db2.gz DOKAHFFWVWXWOA-RAXLEYEMSA-N 1 0 342.417 1.649 20 5 EDBDRO [NH3+]C1(CO)CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000798393843 580996043 /nfs/dbraw/zinc/99/60/43/580996043.db2.gz HXLFOVVSJCAGIO-UHFFFAOYSA-N 1 0 330.182 1.647 20 5 EDBDRO Nc1nccc([C@H]2CCC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000801551086 581079461 /nfs/dbraw/zinc/07/94/61/581079461.db2.gz MQWYFWOZHCWICJ-BBRMVZONSA-N 1 0 343.387 1.880 20 5 EDBDRO Cn1c2ccccc2c(N2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1=O ZINC000892288112 590916498 /nfs/dbraw/zinc/91/64/98/590916498.db2.gz GKTCKTAQFJSAFU-GFCCVEGCSA-N 1 0 330.388 1.977 20 5 EDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000893752003 591075036 /nfs/dbraw/zinc/07/50/36/591075036.db2.gz IJZLSNBTLMHQOU-ZDUSSCGKSA-N 1 0 338.412 1.165 20 5 EDBDRO Cn1c2ccccc2c(N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1=O ZINC000893938790 591144185 /nfs/dbraw/zinc/14/41/85/591144185.db2.gz GDGXTGIEFPMSDK-RISCZKNCSA-N 1 0 328.372 1.587 20 5 EDBDRO CCO[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000896111895 591348094 /nfs/dbraw/zinc/34/80/94/591348094.db2.gz IJVSVAUQIPAPFI-VIFPVBQESA-N 1 0 325.394 1.978 20 5 EDBDRO O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000898462172 591363732 /nfs/dbraw/zinc/36/37/32/591363732.db2.gz NGHXIALBVIXHEY-HNNXBMFYSA-N 1 0 341.371 1.471 20 5 EDBDRO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC([NH+]2CCCC2)C1 ZINC000898606611 591434614 /nfs/dbraw/zinc/43/46/14/591434614.db2.gz ZBJJANDHGZDKIT-UHFFFAOYSA-N 1 0 333.373 1.520 20 5 EDBDRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000898634409 591455219 /nfs/dbraw/zinc/45/52/19/591455219.db2.gz UEVZXJCDSMXYPI-UHFFFAOYSA-N 1 0 334.376 1.363 20 5 EDBDRO C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@@H]1C[N@H+](C)CCN1C ZINC000895245927 591678396 /nfs/dbraw/zinc/67/83/96/591678396.db2.gz JTGQPIMHBUKXNK-ONGXEEELSA-N 1 0 336.421 1.646 20 5 EDBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000897832269 591689359 /nfs/dbraw/zinc/68/93/59/591689359.db2.gz NIUDMTLDLVOGHA-FNORWQNLSA-N 1 0 339.417 1.623 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900048351 591882830 /nfs/dbraw/zinc/88/28/30/591882830.db2.gz CRXPCJWJMKWQMF-WFASDCNBSA-N 1 0 341.795 1.662 20 5 EDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)n1cc(CNC2CC[NH+](C)CC2)nn1 ZINC000900515344 592042342 /nfs/dbraw/zinc/04/23/42/592042342.db2.gz ICVKOBHBPHWOLY-CYBMUJFWSA-N 1 0 344.419 1.979 20 5 EDBDRO C[NH2+]Cc1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595385 592063183 /nfs/dbraw/zinc/06/31/83/592063183.db2.gz FAXKMJLSJQVRHX-UHFFFAOYSA-N 1 0 326.154 1.717 20 5 EDBDRO CN1C[C@H](O)C[C@]1(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000901017021 592198285 /nfs/dbraw/zinc/19/82/85/592198285.db2.gz ORQFNCCURQMQRZ-BXUZGUMPSA-N 1 0 327.768 1.320 20 5 EDBDRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000903573784 592226137 /nfs/dbraw/zinc/22/61/37/592226137.db2.gz JPSTWBYOJUAUMH-JTQLQIEISA-N 1 0 333.435 1.727 20 5 EDBDRO CN1CC[N@H+](C)CC(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000908359803 592465059 /nfs/dbraw/zinc/46/50/59/592465059.db2.gz FWLRIMJIKYTAGB-UHFFFAOYSA-N 1 0 334.420 1.440 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)Cc2ccccc2F)c1 ZINC000905470386 592544356 /nfs/dbraw/zinc/54/43/56/592544356.db2.gz DOROJXUXBZDIIR-DOTOQJQBSA-N 1 0 334.347 1.961 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000905711165 592619919 /nfs/dbraw/zinc/61/99/19/592619919.db2.gz WJLCZXJUBPBPDW-RKDXNWHRSA-N 1 0 333.266 1.707 20 5 EDBDRO CCCN(C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@@H]1CC[NH2+]C1 ZINC000911768319 593000865 /nfs/dbraw/zinc/00/08/65/593000865.db2.gz PEYKDQJBFKTVPJ-WBMJQRKESA-N 1 0 346.387 1.688 20 5 EDBDRO C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000911773675 593002235 /nfs/dbraw/zinc/00/22/35/593002235.db2.gz GMMKRAYGDUWAET-ABAIWWIYSA-N 1 0 332.360 1.156 20 5 EDBDRO C[NH2+]CC1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000911776641 593002914 /nfs/dbraw/zinc/00/29/14/593002914.db2.gz BGRGWVHKTDGUGI-INIZCTEOSA-N 1 0 346.387 1.546 20 5 EDBDRO CN(C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)[C@H]1CC[NH2+]C1 ZINC000911788349 593008899 /nfs/dbraw/zinc/00/88/99/593008899.db2.gz PALMLQWUYBYMGT-AWEZNQCLSA-N 1 0 329.360 1.274 20 5 EDBDRO CC1(C)C[NH2+]CCN1C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000911844418 593024959 /nfs/dbraw/zinc/02/49/59/593024959.db2.gz FYOYJZIQAHDHHG-AWEZNQCLSA-N 1 0 332.360 1.298 20 5 EDBDRO O=C(C1=CCC[NH2+]CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000911973982 593043747 /nfs/dbraw/zinc/04/37/47/593043747.db2.gz QXSFBSFDYWQZBD-UHFFFAOYSA-N 1 0 330.388 1.553 20 5 EDBDRO O=C(N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911973403 593043750 /nfs/dbraw/zinc/04/37/50/593043750.db2.gz MCTYBJZPVQFQAZ-DYVFJYSZSA-N 1 0 330.388 1.386 20 5 EDBDRO Cc1nn(CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000840134326 593252167 /nfs/dbraw/zinc/25/21/67/593252167.db2.gz MXUZTSZFNWWJKV-BETUJISGSA-N 1 0 347.419 1.597 20 5 EDBDRO CN(C)C(=O)[C@H]1CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000840179113 593342428 /nfs/dbraw/zinc/34/24/28/593342428.db2.gz QSVFXLVAZFDBSC-ZDUSSCGKSA-N 1 0 344.375 1.221 20 5 EDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2)C1 ZINC000804461601 593416998 /nfs/dbraw/zinc/41/69/98/593416998.db2.gz NAFZCZPNNDIDMJ-ZDUSSCGKSA-N 1 0 349.391 1.719 20 5 EDBDRO CSC1(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000812255485 593493404 /nfs/dbraw/zinc/49/34/04/593493404.db2.gz RIDCEJFBWFZLRL-UHFFFAOYSA-N 1 0 338.433 1.734 20 5 EDBDRO CNC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000817282195 593588665 /nfs/dbraw/zinc/58/86/65/593588665.db2.gz CPYBTTVRELLBEQ-JTQLQIEISA-N 1 0 338.339 1.130 20 5 EDBDRO COC[C@]1(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]C1 ZINC000817960867 593651836 /nfs/dbraw/zinc/65/18/36/593651836.db2.gz SBDGENGQGIMUBS-AWEZNQCLSA-N 1 0 327.768 1.491 20 5 EDBDRO COC[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCC[NH2+]1 ZINC000818590173 593706105 /nfs/dbraw/zinc/70/61/05/593706105.db2.gz VCWADQMPVWCPHY-MRXNPFEDSA-N 1 0 336.392 1.159 20 5 EDBDRO COC[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCC[NH2+]1 ZINC000818590189 593706133 /nfs/dbraw/zinc/70/61/33/593706133.db2.gz WAPLDPIZPBZCGT-AWEZNQCLSA-N 1 0 327.768 1.747 20 5 EDBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000818593934 593706388 /nfs/dbraw/zinc/70/63/88/593706388.db2.gz UOEXGXZTCOTTIK-KRWDZBQOSA-N 1 0 348.403 1.242 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2cn3c(n2)CCCC3)c1 ZINC000818951650 593729927 /nfs/dbraw/zinc/72/99/27/593729927.db2.gz MFYHPZKUYWPRLU-MRXNPFEDSA-N 1 0 330.388 1.993 20 5 EDBDRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819076010 593737442 /nfs/dbraw/zinc/73/74/42/593737442.db2.gz SISHBBMYFMSJBL-IIAWOOMASA-N 1 0 335.404 1.865 20 5 EDBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000820091789 593790053 /nfs/dbraw/zinc/79/00/53/593790053.db2.gz AHXDFKINHCSNSC-NSHDSACASA-N 1 0 346.395 1.560 20 5 EDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821623196 593885159 /nfs/dbraw/zinc/88/51/59/593885159.db2.gz GASYWEXKLBFHAY-BXUZGUMPSA-N 1 0 343.391 1.695 20 5 EDBDRO CC[NH+](CC)C[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821189641 593986174 /nfs/dbraw/zinc/98/61/74/593986174.db2.gz QYCQKHPBGXHWDH-LBPRGKRZSA-N 1 0 345.407 1.943 20 5 EDBDRO CN(CCC[NH+](C)C)CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000824955336 594104611 /nfs/dbraw/zinc/10/46/11/594104611.db2.gz ALNAPNUBNFSBON-SJORKVTESA-N 1 0 348.447 1.698 20 5 EDBDRO CS[C@H]1CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000826227709 594388246 /nfs/dbraw/zinc/38/82/46/594388246.db2.gz WKWYTYSNKIADIQ-OLZOCXBDSA-N 1 0 349.420 1.257 20 5 EDBDRO CCO[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)C[NH+](C)C ZINC000831777325 594702155 /nfs/dbraw/zinc/70/21/55/594702155.db2.gz WYOFQBLQYQONTJ-LLVKDONJSA-N 1 0 329.784 1.945 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000832297086 594741010 /nfs/dbraw/zinc/74/10/10/594741010.db2.gz CDAWBHBPVJTFPP-UHTWSYAYSA-N 1 0 334.294 1.873 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841216450 594870030 /nfs/dbraw/zinc/87/00/30/594870030.db2.gz GDISHRHXSFVPGL-KWQFWETISA-N 1 0 340.767 1.301 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841224230 594872076 /nfs/dbraw/zinc/87/20/76/594872076.db2.gz KJSMERCPKZNTKB-BDAKNGLRSA-N 1 0 340.767 1.573 20 5 EDBDRO [NH3+][C@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000841965771 594991231 /nfs/dbraw/zinc/99/12/31/594991231.db2.gz JUCAPXOBFIUCFF-OAHLLOKOSA-N 1 0 333.392 1.164 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000837022163 595025015 /nfs/dbraw/zinc/02/50/15/595025015.db2.gz PVTNDNBHPRWUIM-OUKQBFOZSA-N 1 0 333.388 1.571 20 5 EDBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000842250991 595055220 /nfs/dbraw/zinc/05/52/20/595055220.db2.gz MPCXCGDHZKMGNQ-CQSZACIVSA-N 1 0 329.784 1.681 20 5 EDBDRO O=C(CN1CC[C@@H]2[NH2+]CC[C@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843387274 595096322 /nfs/dbraw/zinc/09/63/22/595096322.db2.gz PYFMAYKDHCPNGY-GWCFXTLKSA-N 1 0 338.795 1.871 20 5 EDBDRO CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000843386142 595096450 /nfs/dbraw/zinc/09/64/50/595096450.db2.gz FGEWWOPUYVHUGV-CYBMUJFWSA-N 1 0 326.784 1.856 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000843514164 595138411 /nfs/dbraw/zinc/13/84/11/595138411.db2.gz TTWVUVLAUGNTFI-OAHLLOKOSA-N 1 0 343.387 1.735 20 5 EDBDRO [NH2+]=C(COC[C@H]1CCCO1)NOCc1c(F)cccc1[N+](=O)[O-] ZINC000842657312 595160884 /nfs/dbraw/zinc/16/08/84/595160884.db2.gz NVJFNHKAFYCAPB-SNVBAGLBSA-N 1 0 327.312 1.928 20 5 EDBDRO Cc1c(C(=O)NCC2CC[NH+](C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000101522268 595163217 /nfs/dbraw/zinc/16/32/17/595163217.db2.gz QXHIXCXVNJZGST-UHFFFAOYSA-N 1 0 336.348 1.883 20 5 EDBDRO C/C(=C/C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000834565275 595163836 /nfs/dbraw/zinc/16/38/36/595163836.db2.gz SOOJUPLKFLWGTP-DEQJRXDXSA-N 1 0 347.415 1.913 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000842832747 595211971 /nfs/dbraw/zinc/21/19/71/595211971.db2.gz DWGQCFQTVWDUJC-ONGXEEELSA-N 1 0 347.824 1.833 20 5 EDBDRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000842840098 595213944 /nfs/dbraw/zinc/21/39/44/595213944.db2.gz CBNGNHSUMYPTBF-SNVBAGLBSA-N 1 0 347.824 1.998 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000842878683 595223637 /nfs/dbraw/zinc/22/36/37/595223637.db2.gz OFDFXXYMOCRELD-SECBINFHSA-N 1 0 335.813 1.962 20 5 EDBDRO C[NH+]1CCC2(CC1)CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000844094506 595270562 /nfs/dbraw/zinc/27/05/62/595270562.db2.gz CCIIDGWDYYQINC-DAXSKMNVSA-N 1 0 345.399 1.931 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](O)c2ccccc2Cl)c1 ZINC000843066269 595279355 /nfs/dbraw/zinc/27/93/55/595279355.db2.gz QFONOSKVCZZLIS-FZMZJTMJSA-N 1 0 340.767 1.129 20 5 EDBDRO O=C(N1CC[C@H]2[NH2+]CC[C@H]2C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766057 595600748 /nfs/dbraw/zinc/60/07/48/595600748.db2.gz YHHBFEGIEFJLCO-GXFFZTMASA-N 1 0 341.314 1.777 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH+](C)C)CCc3ccccc32)n1 ZINC000857927676 595655926 /nfs/dbraw/zinc/65/59/26/595655926.db2.gz VNDNVAWQAJEARX-ZDUSSCGKSA-N 1 0 343.387 1.852 20 5 EDBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000855347117 595681654 /nfs/dbraw/zinc/68/16/54/595681654.db2.gz UHHJMMAGJADIHM-LBPRGKRZSA-N 1 0 340.399 1.736 20 5 EDBDRO C[C@@H](CCNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+](C)C ZINC000855415856 595705371 /nfs/dbraw/zinc/70/53/71/595705371.db2.gz QWMHONHFKHBNDT-NSHDSACASA-N 1 0 338.364 1.892 20 5 EDBDRO COC(=O)CCNC(=O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000858292515 595754796 /nfs/dbraw/zinc/75/47/96/595754796.db2.gz KBQIJHFXXWWHGC-UHFFFAOYSA-N 1 0 343.767 1.407 20 5 EDBDRO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000853589074 595817502 /nfs/dbraw/zinc/81/75/02/595817502.db2.gz KYDABVCYBOATLZ-UXLLHSPISA-N 1 0 345.399 1.837 20 5 EDBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)N1CC[NH+](C)CC1 ZINC000859364069 596067059 /nfs/dbraw/zinc/06/70/59/596067059.db2.gz FVOOGSWNIFIKTL-LLVKDONJSA-N 1 0 340.811 1.614 20 5 EDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@@H]1CCC[N@H+]1CCCO ZINC000868630068 596252645 /nfs/dbraw/zinc/25/26/45/596252645.db2.gz WKLXRCJNRHOBIM-ZDUSSCGKSA-N 1 0 339.367 1.239 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000866824899 596366873 /nfs/dbraw/zinc/36/68/73/596366873.db2.gz VYPFFNMACAACPE-CHWSQXEVSA-N 1 0 339.417 1.727 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866830172 596369649 /nfs/dbraw/zinc/36/96/49/596369649.db2.gz BMSMYJVKIOTLEL-WDEREUQCSA-N 1 0 345.808 1.763 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1C ZINC000866831894 596370936 /nfs/dbraw/zinc/37/09/36/596370936.db2.gz UUFAXMTVYMUWDD-CHWSQXEVSA-N 1 0 339.417 1.727 20 5 EDBDRO C[C@@](N)(C(=O)N1CC[NH+](C2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000870862715 596381340 /nfs/dbraw/zinc/38/13/40/596381340.db2.gz VCSUXHCMVJTWIZ-SFHVURJKSA-N 1 0 346.431 1.856 20 5 EDBDRO C[N@H+](CCN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000863503081 596603209 /nfs/dbraw/zinc/60/32/09/596603209.db2.gz XJWUDEFZJONKCG-INIZCTEOSA-N 1 0 332.360 1.456 20 5 EDBDRO CC(C)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000863582081 596626079 /nfs/dbraw/zinc/62/60/79/596626079.db2.gz CBMGRWAXRIXVJX-OAHLLOKOSA-N 1 0 335.404 1.866 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000868034696 596662595 /nfs/dbraw/zinc/66/25/95/596662595.db2.gz HYMLESBWDRSEBW-FZMZJTMJSA-N 1 0 337.351 1.713 20 5 EDBDRO C[C@H]([NH2+]CC1(OCCO)CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069223 596801221 /nfs/dbraw/zinc/80/12/21/596801221.db2.gz MTPXHFUXYOMMQU-LBPRGKRZSA-N 1 0 342.367 1.943 20 5 EDBDRO C[C@]12C[NH2+]C[C@H]1CN([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000872153295 596814258 /nfs/dbraw/zinc/81/42/58/596814258.db2.gz HJSSIRVBDLNNIV-YLQAJVPDSA-N 1 0 330.388 1.241 20 5 EDBDRO CCOC1CC2(C[C@@H]2[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000872251656 596853936 /nfs/dbraw/zinc/85/39/36/596853936.db2.gz SIPJZJYCOGNWLM-BKEMPNMISA-N 1 0 336.388 1.882 20 5 EDBDRO CC1(C)CC[NH2+]CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000872293335 596870440 /nfs/dbraw/zinc/87/04/40/596870440.db2.gz PWJFVFTYKJMBBT-UHFFFAOYSA-N 1 0 343.387 1.995 20 5 EDBDRO C[NH+](C)CCn1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000120025544 596876752 /nfs/dbraw/zinc/87/67/52/596876752.db2.gz XFVLUAKCACDQCQ-UHFFFAOYSA-N 1 0 348.319 1.513 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000874097918 596927096 /nfs/dbraw/zinc/92/70/96/596927096.db2.gz GNNQXSVPDMNQHE-UHFFFAOYSA-N 1 0 348.403 1.784 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(Cn3cc(Br)c([N+](=O)[O-])n3)CC[C@H]21 ZINC000872726951 597048192 /nfs/dbraw/zinc/04/81/92/597048192.db2.gz XICNWLKUTOKFRM-GXSJLCMTSA-N 1 0 344.213 1.537 20 5 EDBDRO [NH3+]C[C@@H]1[C@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1(F)F ZINC000876730251 597310945 /nfs/dbraw/zinc/31/09/45/597310945.db2.gz DOXFMSBSVBUOAP-CHWSQXEVSA-N 1 0 340.330 1.083 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000876848718 597358366 /nfs/dbraw/zinc/35/83/66/597358366.db2.gz UQJILMOQVIWSHJ-AWEZNQCLSA-N 1 0 332.404 1.331 20 5 EDBDRO O=C1C[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CN1c1ccccc1 ZINC000876988181 597405786 /nfs/dbraw/zinc/40/57/86/597405786.db2.gz WSVUESOXPPRCCO-OWYJLGKBSA-N 1 0 341.371 1.890 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC[S@@](=O)CC(F)(F)F)C2)c1 ZINC000877622347 597542090 /nfs/dbraw/zinc/54/20/90/597542090.db2.gz LINLAJFXYPWAKP-UTELNICOSA-N 1 0 340.327 1.395 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@]34OCCC[C@H]3C4(F)F)C2)c1 ZINC000877630035 597542683 /nfs/dbraw/zinc/54/26/83/597542683.db2.gz DNVLYRUGCPIAHA-UHGWMABZSA-N 1 0 328.319 1.899 20 5 EDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000879516203 597613702 /nfs/dbraw/zinc/61/37/02/597613702.db2.gz MPIADVBJYDVGBK-UHFFFAOYSA-N 1 0 349.387 1.922 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879574228 597637554 /nfs/dbraw/zinc/63/75/54/597637554.db2.gz BKOFTIPCXYRTER-CJNGLKHVSA-N 1 0 332.404 1.868 20 5 EDBDRO NC(=O)[C@H](F)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000879048498 597801156 /nfs/dbraw/zinc/80/11/56/597801156.db2.gz VKHRKPOESJDEQO-CQSZACIVSA-N 1 0 325.340 1.509 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000879245261 597863333 /nfs/dbraw/zinc/86/33/33/597863333.db2.gz XCAWDLOLTLDQKC-FUHWJXTLSA-N 1 0 343.383 1.955 20 5 EDBDRO CO[C@@H]1COCC[C@H]1N(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000880428581 597930138 /nfs/dbraw/zinc/93/01/38/597930138.db2.gz BTSKEMLZFFAPMI-HUUCEWRRSA-N 1 0 337.376 1.293 20 5 EDBDRO COc1ccc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000880588180 597972822 /nfs/dbraw/zinc/97/28/22/597972822.db2.gz DJVOASLBNOHIMA-AWEZNQCLSA-N 1 0 336.388 1.967 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCC[NH+]1CCCCCC1 ZINC000915282541 695780795 /nfs/dbraw/zinc/78/07/95/695780795.db2.gz MBVOXGICOBCRND-UHFFFAOYSA-N 1 0 345.403 1.937 20 5 EDBDRO C[N@H+]1C[C@]2(C)CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C[C@]2(C)C1 ZINC000918352472 697156751 /nfs/dbraw/zinc/15/67/51/697156751.db2.gz USHQWOMTOYUFJH-BETUJISGSA-N 1 0 345.446 1.619 20 5 EDBDRO C[NH+]1C[C@]2(C)CN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000918360203 697157611 /nfs/dbraw/zinc/15/76/11/697157611.db2.gz QDTGBBGVWCJNHM-CHWSQXEVSA-N 1 0 345.446 1.619 20 5 EDBDRO O=C1N(CN2CC[NH+](C3CC3)CC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000154727873 697163977 /nfs/dbraw/zinc/16/39/77/697163977.db2.gz RLJFISLLHQNHIQ-UHFFFAOYSA-N 1 0 345.403 1.574 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000174867451 697195735 /nfs/dbraw/zinc/19/57/35/697195735.db2.gz XNIWZBLEDJOIAN-LLVKDONJSA-N 1 0 347.335 1.281 20 5 EDBDRO CC1([NH2+]CC2CCOCC2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000940109128 700222015 /nfs/dbraw/zinc/22/20/15/700222015.db2.gz LWCCVBXCBFRRIT-ZIAGYGMSSA-N 1 0 325.409 1.049 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000996430089 702783893 /nfs/dbraw/zinc/78/38/93/702783893.db2.gz ZNUYSTBKAYEALM-HUUCEWRRSA-N 1 0 339.342 1.711 20 5 EDBDRO O=C(Cn1ccnc1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997414045 703668723 /nfs/dbraw/zinc/66/87/23/703668723.db2.gz ZIPCHHVQIBSXFX-UHFFFAOYSA-N 1 0 343.387 1.572 20 5 EDBDRO CO[C@]1(CNCc2cc([N+](=O)[O-])ccc2Cl)CCS(=O)(=O)C1 ZINC000922614524 704136844 /nfs/dbraw/zinc/13/68/44/704136844.db2.gz FAGAZJQZTVGAPH-ZDUSSCGKSA-N 1 0 348.808 1.542 20 5 EDBDRO COc1ccc(C[NH2+]CC(C)(C)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000922737103 704286456 /nfs/dbraw/zinc/28/64/56/704286456.db2.gz ILYLNGPAPXRQOX-UHFFFAOYSA-N 1 0 330.406 1.764 20 5 EDBDRO Cn1nccc1C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001002430340 708949315 /nfs/dbraw/zinc/94/93/15/708949315.db2.gz ATPKJDRNSOSFLR-UHFFFAOYSA-N 1 0 343.387 1.723 20 5 EDBDRO COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001002783357 709389410 /nfs/dbraw/zinc/38/94/10/709389410.db2.gz RXMFHCKGQPOXOM-HZPDHXFCSA-N 1 0 333.388 1.441 20 5 EDBDRO CC(C)C[C@H]1CN(C)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000922026840 709452657 /nfs/dbraw/zinc/45/26/57/709452657.db2.gz RTKSWKAXBYHEPB-ZDUSSCGKSA-N 1 0 341.433 1.946 20 5 EDBDRO C[N@@H+]1CC[C@@](O)(CNc2cccc(Br)c2[N+](=O)[O-])C1 ZINC000702624008 709688828 /nfs/dbraw/zinc/68/88/28/709688828.db2.gz IVBCZIKDFNYYEX-GFCCVEGCSA-N 1 0 330.182 1.836 20 5 EDBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1cn[nH]n1 ZINC001034679431 710661805 /nfs/dbraw/zinc/66/18/05/710661805.db2.gz PEZAWLZYLKHZOW-JOCQHMNTSA-N 1 0 344.375 1.544 20 5 EDBDRO CC1(C)CC[N@H+](CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000557669693 306232665 /nfs/dbraw/zinc/23/26/65/306232665.db2.gz KTZATXIKJRTWRH-UHFFFAOYSA-N 1 0 333.388 1.916 20 5 EDBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000046947443 138118483 /nfs/dbraw/zinc/11/84/83/138118483.db2.gz VGMKXRXZEXYPOH-CYBMUJFWSA-N 1 0 334.420 1.659 20 5 EDBDRO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C[NH2+]1 ZINC000086468906 138271222 /nfs/dbraw/zinc/27/12/22/138271222.db2.gz PAJJWHRAZRLONZ-IUCAKERBSA-N 1 0 333.797 1.619 20 5 EDBDRO CCc1nn(C)c(N2CCC(OCCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000091733194 138284698 /nfs/dbraw/zinc/28/46/98/138284698.db2.gz YLSNEEGQLLZJPM-UHFFFAOYSA-N 1 0 339.440 1.828 20 5 EDBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)c([N+](=O)[O-])cc1OC ZINC000092588656 138289930 /nfs/dbraw/zinc/28/99/30/138289930.db2.gz AMYDIYAFIXZGOG-GFCCVEGCSA-N 1 0 337.376 1.842 20 5 EDBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000171504996 535342088 /nfs/dbraw/zinc/34/20/88/535342088.db2.gz NJPWXAOQCBLRNJ-CYBMUJFWSA-N 1 0 341.433 1.974 20 5 EDBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000124941996 138330945 /nfs/dbraw/zinc/33/09/45/138330945.db2.gz NMTSJGHXJUJEIC-UHFFFAOYSA-N 1 0 335.451 1.975 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000126563192 138338383 /nfs/dbraw/zinc/33/83/83/138338383.db2.gz LBEQHFXEVVCYAG-TZMCWYRMSA-N 1 0 347.419 1.726 20 5 EDBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186960624 236079395 /nfs/dbraw/zinc/07/93/95/236079395.db2.gz SPKKVVKPSZHUFI-UHFFFAOYSA-N 1 0 330.344 1.687 20 5 EDBDRO C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187213953 236148117 /nfs/dbraw/zinc/14/81/17/236148117.db2.gz FWBYKUVIMJDHMX-LRDDRELGSA-N 1 0 331.376 1.599 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c1 ZINC000128827730 138622593 /nfs/dbraw/zinc/62/25/93/138622593.db2.gz WTHAYUAKAMZFKV-RRFJBIMHSA-N 1 0 334.380 1.122 20 5 EDBDRO Cc1c(C(=O)NCCN2CCC([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000177118259 138722998 /nfs/dbraw/zinc/72/29/98/138722998.db2.gz NLUFHDMVSKJXEB-UHFFFAOYSA-N 1 0 334.420 1.659 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1OC ZINC000564651107 306362041 /nfs/dbraw/zinc/36/20/41/306362041.db2.gz RLRADQBCYVJKOD-GFCCVEGCSA-N 1 0 349.387 1.969 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000564838439 306366370 /nfs/dbraw/zinc/36/63/70/306366370.db2.gz SZDGPGPYYUWKRT-STQMWFEESA-N 1 0 348.403 1.241 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1CCN(C2CC2)CC1 ZINC000564845051 306366924 /nfs/dbraw/zinc/36/69/24/306366924.db2.gz SIRFSBYIXFBXSA-HNNXBMFYSA-N 1 0 335.404 1.551 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCn3ccnc3C2)c1 ZINC000564870821 306367955 /nfs/dbraw/zinc/36/79/55/306367955.db2.gz ATLBORUBSPMURN-TZMCWYRMSA-N 1 0 332.360 1.136 20 5 EDBDRO [NH3+]CC12CCC(CC1)CN2C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000565148069 306375980 /nfs/dbraw/zinc/37/59/80/306375980.db2.gz APPDPFJEGFWSGF-UHFFFAOYSA-N 1 0 347.371 1.710 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[NH+]1CCCC1 ZINC000049275124 201113244 /nfs/dbraw/zinc/11/32/44/201113244.db2.gz MAXIWKQFOGQJNC-UHFFFAOYSA-N 1 0 334.376 1.444 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000069901081 203062168 /nfs/dbraw/zinc/06/21/68/203062168.db2.gz OCXPSYUIIPKVBR-UHFFFAOYSA-N 1 0 343.405 1.318 20 5 EDBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000363938228 284202888 /nfs/dbraw/zinc/20/28/88/284202888.db2.gz NRKKKZUFQJLPOC-RYUDHWBXSA-N 1 0 347.371 1.723 20 5 EDBDRO COc1ccc(S(=O)(=O)N(C)C[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000104747509 204117630 /nfs/dbraw/zinc/11/76/30/204117630.db2.gz WVSHLYAOLMMGFI-NSHDSACASA-N 1 0 343.405 1.176 20 5 EDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000110997032 204330528 /nfs/dbraw/zinc/33/05/28/204330528.db2.gz QGDZXEWPUBNAKJ-CQSZACIVSA-N 1 0 349.387 1.777 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC000226461992 139021789 /nfs/dbraw/zinc/02/17/89/139021789.db2.gz NWNDXAKFXPAWLP-SECBINFHSA-N 1 0 333.797 1.669 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000237205226 139044238 /nfs/dbraw/zinc/04/42/38/139044238.db2.gz AWEXHTUTRTXDPP-JQWIXIFHSA-N 1 0 343.405 1.351 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000237205608 139044299 /nfs/dbraw/zinc/04/42/99/139044299.db2.gz JIKMSVOUYYGUNQ-NSHDSACASA-N 1 0 343.405 1.271 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000237211350 139044426 /nfs/dbraw/zinc/04/44/26/139044426.db2.gz YWRMAIBNCACGPP-NSHDSACASA-N 1 0 343.405 1.224 20 5 EDBDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000111220120 220114147 /nfs/dbraw/zinc/11/41/47/220114147.db2.gz NYCONTHCZRUQOX-AAEUAGOBSA-N 1 0 346.387 1.070 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)NC[C@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000129946100 205217756 /nfs/dbraw/zinc/21/77/56/205217756.db2.gz ARGZLNNXLGAISV-LRDDRELGSA-N 1 0 338.408 1.576 20 5 EDBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000131195403 205277944 /nfs/dbraw/zinc/27/79/44/205277944.db2.gz PYSRYTCQMGKFNN-LBPRGKRZSA-N 1 0 329.422 1.745 20 5 EDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000080405606 217302607 /nfs/dbraw/zinc/30/26/07/217302607.db2.gz UAYQROBERSFQGY-INIZCTEOSA-N 1 0 334.420 1.830 20 5 EDBDRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000364140886 284391585 /nfs/dbraw/zinc/39/15/85/284391585.db2.gz PCFBLNJPIAGALD-UHFFFAOYSA-N 1 0 338.327 1.764 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000156201687 206063649 /nfs/dbraw/zinc/06/36/49/206063649.db2.gz DTQCGELBFUACMD-BZPMIXESSA-N 1 0 348.403 1.299 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000159269988 206235832 /nfs/dbraw/zinc/23/58/32/206235832.db2.gz XNGRDAHKLYMTJS-MRXNPFEDSA-N 1 0 335.360 1.194 20 5 EDBDRO CCC[NH+]1CCC(N(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000162060877 206382792 /nfs/dbraw/zinc/38/27/92/206382792.db2.gz OFCHGHFEGCUMOR-UHFFFAOYSA-N 1 0 338.412 1.307 20 5 EDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161684394 206364456 /nfs/dbraw/zinc/36/44/56/206364456.db2.gz MRNDWCOGCRTTEU-CYBMUJFWSA-N 1 0 338.412 1.307 20 5 EDBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357924493 284683195 /nfs/dbraw/zinc/68/31/95/284683195.db2.gz BENMHENHSZEFTF-STQMWFEESA-N 1 0 337.424 1.959 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCN2CCc3ccccc32)c1 ZINC000568750788 306488256 /nfs/dbraw/zinc/48/82/56/306488256.db2.gz JGMPIAXCEOWLGJ-MRXNPFEDSA-N 1 0 345.403 1.195 20 5 EDBDRO Cc1cc(NC(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000248554952 139167315 /nfs/dbraw/zinc/16/73/15/139167315.db2.gz AQOITTMDEVXYMJ-STQMWFEESA-N 1 0 336.392 1.822 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000248640321 139169671 /nfs/dbraw/zinc/16/96/71/139169671.db2.gz RCRJSUKEMBHOGB-CYZMBNFOSA-N 1 0 325.390 1.261 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000172292765 206811253 /nfs/dbraw/zinc/81/12/53/206811253.db2.gz RRSSWUMZHXBERF-LBPRGKRZSA-N 1 0 334.376 1.252 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCNC[C@H]1c1cccc(F)c1 ZINC000261707229 139219404 /nfs/dbraw/zinc/21/94/04/139219404.db2.gz DISPVLQWHASYQF-AWEZNQCLSA-N 1 0 347.350 1.412 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000261760597 139223780 /nfs/dbraw/zinc/22/37/80/139223780.db2.gz VUMJZXKPFVEGNY-CMPLNLGQSA-N 1 0 335.360 1.436 20 5 EDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000569139008 306498239 /nfs/dbraw/zinc/49/82/39/306498239.db2.gz UHEZSLBNZYKAPL-CYBMUJFWSA-N 1 0 338.408 1.459 20 5 EDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000261922196 139237275 /nfs/dbraw/zinc/23/72/75/139237275.db2.gz ZOKVUARZTVVCJW-MNOVXSKESA-N 1 0 335.360 1.104 20 5 EDBDRO C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000261961211 139240093 /nfs/dbraw/zinc/24/00/93/139240093.db2.gz OTGCHYICRLHLLK-DGCLKSJQSA-N 1 0 327.406 1.402 20 5 EDBDRO C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000261995138 139242578 /nfs/dbraw/zinc/24/25/78/139242578.db2.gz UERZPJDUAULWRF-MNOVXSKESA-N 1 0 327.406 1.798 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[C@@H]1[NH3+] ZINC000261985474 139241919 /nfs/dbraw/zinc/24/19/19/139241919.db2.gz JUXPHKOAKLIIML-NEPJUHHUSA-N 1 0 329.360 1.590 20 5 EDBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000173917142 206970019 /nfs/dbraw/zinc/97/00/19/206970019.db2.gz SCEQFFFLEGVQFV-CYBMUJFWSA-N 1 0 341.433 1.947 20 5 EDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262018715 139244304 /nfs/dbraw/zinc/24/43/04/139244304.db2.gz XCXNAVCKTOGBHH-GFCCVEGCSA-N 1 0 329.360 1.510 20 5 EDBDRO CCC[N@H+](CC)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000175162907 207100404 /nfs/dbraw/zinc/10/04/04/207100404.db2.gz GLVIRQQVYABZDV-UHFFFAOYSA-N 1 0 330.410 1.386 20 5 EDBDRO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000262271022 139265350 /nfs/dbraw/zinc/26/53/50/139265350.db2.gz MZBPGOGJFAPYBC-GWCFXTLKSA-N 1 0 348.384 1.028 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417222083 251147859 /nfs/dbraw/zinc/14/78/59/251147859.db2.gz DZGCEWFELRBWCT-GFCCVEGCSA-N 1 0 328.319 1.434 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000262444847 139279522 /nfs/dbraw/zinc/27/95/22/139279522.db2.gz HFUKFCIGGBZKQS-UWVGGRQHSA-N 1 0 329.378 1.022 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000415579426 304231141 /nfs/dbraw/zinc/23/11/41/304231141.db2.gz CRWBFDUPLSXQFV-QJPTWQEYSA-N 1 0 332.360 1.037 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000262507624 139283272 /nfs/dbraw/zinc/28/32/72/139283272.db2.gz MQENIDATQFPTNB-KOLCDFICSA-N 1 0 329.353 1.106 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H](C[NH3+])C1 ZINC000262536147 139284863 /nfs/dbraw/zinc/28/48/63/139284863.db2.gz OONXVFHNDRHCNX-VHSXEESVSA-N 1 0 327.768 1.823 20 5 EDBDRO Cn1ccnc1C(=O)c1ccc(N2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000420176050 251632027 /nfs/dbraw/zinc/63/20/27/251632027.db2.gz PKWXPJVQBXQFIO-CYBMUJFWSA-N 1 0 343.387 1.877 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177193674 207305588 /nfs/dbraw/zinc/30/55/88/207305588.db2.gz ZIWNDXCQIWACET-YPMHNXCESA-N 1 0 347.371 1.528 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[NH2+]1 ZINC000262854585 139308217 /nfs/dbraw/zinc/30/82/17/139308217.db2.gz KMHVSWKEJMHLNG-WCQYABFASA-N 1 0 329.360 1.651 20 5 EDBDRO CC(=O)c1cc(N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000424408962 252215722 /nfs/dbraw/zinc/21/57/22/252215722.db2.gz FVGUFBKRVDBSMP-LSDHHAIUSA-N 1 0 329.360 1.462 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000178004923 207428526 /nfs/dbraw/zinc/42/85/26/207428526.db2.gz IFKNFPKDWLBORM-STQMWFEESA-N 1 0 348.403 1.831 20 5 EDBDRO CCCN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CC[NH2+]C1 ZINC000178921245 207550970 /nfs/dbraw/zinc/55/09/70/207550970.db2.gz UDIAVLVSDMFDPU-LBPRGKRZSA-N 1 0 344.371 1.650 20 5 EDBDRO CN(C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)[C@H]1CC[NH2+]C1 ZINC000179068226 207571033 /nfs/dbraw/zinc/57/10/33/207571033.db2.gz LUJJMQBKJOCFIM-LBPRGKRZSA-N 1 0 348.359 1.103 20 5 EDBDRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CN1 ZINC000377394221 296344186 /nfs/dbraw/zinc/34/41/86/296344186.db2.gz ALHLUISQILAHCL-TZMCWYRMSA-N 1 0 348.359 1.994 20 5 EDBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000179419900 207630550 /nfs/dbraw/zinc/63/05/50/207630550.db2.gz QKBFKYQPAOGVJX-UHFFFAOYSA-N 1 0 347.375 1.087 20 5 EDBDRO COCCn1cc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000337383107 285191768 /nfs/dbraw/zinc/19/17/68/285191768.db2.gz DUXCLNPSOLQKMX-CABCVRRESA-N 1 0 348.407 1.908 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000415743580 304263630 /nfs/dbraw/zinc/26/36/30/304263630.db2.gz OEYFTIAVKMNNQQ-GXTWGEPZSA-N 1 0 346.387 1.346 20 5 EDBDRO CN(C(=O)Cn1ccc([N+](=O)[O-])n1)C(C)(C)C[NH+]1CCCCCC1 ZINC000494050180 255233722 /nfs/dbraw/zinc/23/37/22/255233722.db2.gz PRDAXGJJYZQPRF-UHFFFAOYSA-N 1 0 337.424 1.904 20 5 EDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N[C@@H]1C[NH2+]CCC1(F)F ZINC000493042408 255189279 /nfs/dbraw/zinc/18/92/79/255189279.db2.gz BXJKKJPUYQNYSM-FXMSTWTQSA-N 1 0 329.278 1.861 20 5 EDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000493186721 255195221 /nfs/dbraw/zinc/19/52/21/255195221.db2.gz LCZSKQHGSTWORE-TXTHVTMNSA-N 1 0 348.378 1.253 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000495068082 255267943 /nfs/dbraw/zinc/26/79/43/255267943.db2.gz QIQHLECIDXZOHD-NSHDSACASA-N 1 0 339.396 1.721 20 5 EDBDRO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000269192316 139891589 /nfs/dbraw/zinc/89/15/89/139891589.db2.gz KQHSAMYESMCLMJ-MNOVXSKESA-N 1 0 325.340 1.617 20 5 EDBDRO CS[C@@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C[C@@H]1[NH+](C)C ZINC000270764461 140164429 /nfs/dbraw/zinc/16/44/29/140164429.db2.gz PLUSIYQHCCRPDN-QWHCGFSZSA-N 1 0 338.433 1.603 20 5 EDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000270912103 140196356 /nfs/dbraw/zinc/19/63/56/140196356.db2.gz OBUYATKWVPYIAH-LLVKDONJSA-N 1 0 332.360 1.672 20 5 EDBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000270996749 140216778 /nfs/dbraw/zinc/21/67/78/140216778.db2.gz PAWGBLFHJCEIJY-GFCCVEGCSA-N 1 0 343.387 1.119 20 5 EDBDRO COCCCS(=O)(=O)NCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271788629 140350229 /nfs/dbraw/zinc/35/02/29/140350229.db2.gz UIMXCOAAZQXTNV-LBPRGKRZSA-N 1 0 345.421 1.201 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000331999754 141108679 /nfs/dbraw/zinc/10/86/79/141108679.db2.gz VJNUOTFZSBBGKJ-IIAWOOMASA-N 1 0 349.387 1.840 20 5 EDBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261670933 296521356 /nfs/dbraw/zinc/52/13/56/296521356.db2.gz LTOYNFHUIFHRSU-CYBMUJFWSA-N 1 0 327.388 1.627 20 5 EDBDRO NC(=O)c1ccc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)c([N+](=O)[O-])c1 ZINC000339764949 142149193 /nfs/dbraw/zinc/14/91/93/142149193.db2.gz VNWAGGFBDSAAOP-RDJZCZTQSA-N 1 0 349.387 1.103 20 5 EDBDRO CO[C@@H]1C[C@H](CO)[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000344704538 143000869 /nfs/dbraw/zinc/00/08/69/143000869.db2.gz HOCKYWXICYTYNR-ZIAGYGMSSA-N 1 0 337.376 1.313 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000346113716 143169207 /nfs/dbraw/zinc/16/92/07/143169207.db2.gz BAMSGLHORWCWCT-UHFFFAOYSA-N 1 0 331.376 1.362 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H](C(N)=O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000346664684 143228600 /nfs/dbraw/zinc/22/86/00/143228600.db2.gz OFAXIGTVCBIQIS-USWWRNFRSA-N 1 0 334.376 1.283 20 5 EDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000346799067 143246785 /nfs/dbraw/zinc/24/67/85/143246785.db2.gz XPGPAAYEKLJEKC-GFCCVEGCSA-N 1 0 342.371 1.948 20 5 EDBDRO C[NH+](C)CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000347207794 143294889 /nfs/dbraw/zinc/29/48/89/143294889.db2.gz DAWYAEUQUATFHK-UHFFFAOYSA-N 1 0 333.435 1.619 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000347943364 143382091 /nfs/dbraw/zinc/38/20/91/143382091.db2.gz OYUPTZVSYAUREL-VXGBXAGGSA-N 1 0 339.367 1.674 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000369773919 155171177 /nfs/dbraw/zinc/17/11/77/155171177.db2.gz RKAXRJQEUCLIAS-UONOGXRCSA-N 1 0 333.388 1.964 20 5 EDBDRO COc1cc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000352873415 149197836 /nfs/dbraw/zinc/19/78/36/149197836.db2.gz GPHRWNHUCOKPRS-UKRRQHHQSA-N 1 0 335.404 1.898 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]C[C@H](C)SC)cc1[N+](=O)[O-] ZINC000353212493 149326206 /nfs/dbraw/zinc/32/62/06/149326206.db2.gz XQMGVPCCNYIOJJ-JTQLQIEISA-N 1 0 328.390 1.988 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC([N@H+](C)CCO)CC1 ZINC000353266575 149345546 /nfs/dbraw/zinc/34/55/46/149345546.db2.gz ZUOUEVMBFMJKMW-UHFFFAOYSA-N 1 0 337.420 1.882 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000355526821 150303646 /nfs/dbraw/zinc/30/36/46/150303646.db2.gz LUVOCDIPBPTOOE-GFCCVEGCSA-N 1 0 336.392 1.839 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000357426853 151029736 /nfs/dbraw/zinc/02/97/36/151029736.db2.gz ZWVDMNUDCPTGQV-JSGCOSHPSA-N 1 0 348.403 1.314 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000357873112 151179835 /nfs/dbraw/zinc/17/98/35/151179835.db2.gz HGYQYGVVFVEPER-UHFFFAOYSA-N 1 0 335.408 1.482 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000370105007 155325243 /nfs/dbraw/zinc/32/52/43/155325243.db2.gz YSYZZKLDEONMKH-WCQYABFASA-N 1 0 325.390 1.276 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000360468498 152056358 /nfs/dbraw/zinc/05/63/58/152056358.db2.gz VZHKDUCYZLMLKZ-BFHYXJOUSA-N 1 0 332.404 1.983 20 5 EDBDRO CC(=O)N[C@H](C)C1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000360627736 152129542 /nfs/dbraw/zinc/12/95/42/152129542.db2.gz CONXJNFYTTYIBB-LLVKDONJSA-N 1 0 348.403 1.430 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000360664795 152144187 /nfs/dbraw/zinc/14/41/87/152144187.db2.gz IHCDXGROVGIOKR-NWDGAFQWSA-N 1 0 327.406 1.664 20 5 EDBDRO CNc1c(C(=O)NCC2CC[NH+](CCO)CC2)cccc1[N+](=O)[O-] ZINC000360950291 152261356 /nfs/dbraw/zinc/26/13/56/152261356.db2.gz ATUKZBWPZRJQIE-UHFFFAOYSA-N 1 0 336.392 1.071 20 5 EDBDRO CO[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000417147116 304377864 /nfs/dbraw/zinc/37/78/64/304377864.db2.gz ZCNVSODUNLABDL-NILFDRSVSA-N 1 0 336.392 1.804 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc([N+](=O)[O-])c1OC ZINC000361077881 152296155 /nfs/dbraw/zinc/29/61/55/152296155.db2.gz DGURCGZIMKEHMO-QWHCGFSZSA-N 1 0 349.387 1.730 20 5 EDBDRO CC[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C[C@H](C)O ZINC000361265925 152349148 /nfs/dbraw/zinc/34/91/48/152349148.db2.gz LOHGHZHZLPBNRC-STQMWFEESA-N 1 0 347.419 1.748 20 5 EDBDRO COc1ccc(CNC(=O)N2CCC3(C2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000417184251 304381686 /nfs/dbraw/zinc/38/16/86/304381686.db2.gz BSHMQNYAUZHXOI-UHFFFAOYSA-N 1 0 348.403 1.889 20 5 EDBDRO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000363593484 153008797 /nfs/dbraw/zinc/00/87/97/153008797.db2.gz YPRCHDRPVKTNAE-KBPBESRZSA-N 1 0 335.408 1.657 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+]3CCCCCC3)C2)n1 ZINC000367396711 154104250 /nfs/dbraw/zinc/10/42/50/154104250.db2.gz MMTAOSXKGMXBKP-ZDUSSCGKSA-N 1 0 335.408 1.809 20 5 EDBDRO O=C(CC[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000367460071 154131107 /nfs/dbraw/zinc/13/11/07/154131107.db2.gz YCJSRQVBJJUBAI-YOEHRIQHSA-N 1 0 346.387 1.570 20 5 EDBDRO COc1ccc(OCC[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000367456771 154131990 /nfs/dbraw/zinc/13/19/90/154131990.db2.gz CTANZSQWYCQVFQ-GUYCJALGSA-N 1 0 349.387 1.629 20 5 EDBDRO NC(=O)C[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000367984115 154355693 /nfs/dbraw/zinc/35/56/93/154355693.db2.gz UFNHJHACZIFTOI-JTQLQIEISA-N 1 0 331.332 1.342 20 5 EDBDRO C[C@H]1OCC[C@@]12C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000369414790 155021285 /nfs/dbraw/zinc/02/12/85/155021285.db2.gz XZYKHHIZTHAGQH-CXAGYDPISA-N 1 0 349.387 1.803 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1Cn1cncn1 ZINC000371689482 156064375 /nfs/dbraw/zinc/06/43/75/156064375.db2.gz PPBFVGCSTKVLFP-KBPBESRZSA-N 1 0 347.375 1.091 20 5 EDBDRO Cc1nn(C)c(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1[N+](=O)[O-] ZINC000371962823 156186764 /nfs/dbraw/zinc/18/67/64/156186764.db2.gz NVFADPPGQBWUKG-CQSZACIVSA-N 1 0 336.440 1.241 20 5 EDBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])s2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374415456 157283418 /nfs/dbraw/zinc/28/34/18/157283418.db2.gz NAKVJIANEDBZPR-RYUDHWBXSA-N 1 0 325.438 1.514 20 5 EDBDRO Cc1cc(N2CCN(C[C@@H]3CN(C)CCO3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000377918819 158028573 /nfs/dbraw/zinc/02/85/73/158028573.db2.gz SIKKQXSLGUENIC-CABCVRRESA-N 1 0 349.435 1.139 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC=C(c3cccnc3)CC2)c1 ZINC000378346601 158147786 /nfs/dbraw/zinc/14/77/86/158147786.db2.gz GFCJFXFIRDRZRS-INIZCTEOSA-N 1 0 329.360 1.337 20 5 EDBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000352501730 162215657 /nfs/dbraw/zinc/21/56/57/162215657.db2.gz WVWNOLWELFEKAQ-LBPRGKRZSA-N 1 0 345.396 1.887 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000364615941 162338320 /nfs/dbraw/zinc/33/83/20/162338320.db2.gz YCNINALKXIQZQI-SUMWQHHRSA-N 1 0 346.387 1.713 20 5 EDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366313244 162376403 /nfs/dbraw/zinc/37/64/03/162376403.db2.gz OVHPEPLZHIQHRF-KBPBESRZSA-N 1 0 347.371 1.477 20 5 EDBDRO O=C(NCCC[NH2+]C1CC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418283973 304474237 /nfs/dbraw/zinc/47/42/37/304474237.db2.gz BBVYKPADZHZTNV-UHFFFAOYSA-N 1 0 334.376 1.641 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000236651600 292586969 /nfs/dbraw/zinc/58/69/69/292586969.db2.gz KLMAGWFAFYIERF-GFCCVEGCSA-N 1 0 329.422 1.897 20 5 EDBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)CC(C)C ZINC000122311672 222059544 /nfs/dbraw/zinc/05/95/44/222059544.db2.gz HFNDNKLTLOAMNH-GFCCVEGCSA-N 1 0 325.413 1.815 20 5 EDBDRO COCC[NH+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000122386594 222075916 /nfs/dbraw/zinc/07/59/16/222075916.db2.gz YIWRRSPPYZMKNS-UHFFFAOYSA-N 1 0 336.392 1.187 20 5 EDBDRO Cc1sc(S(=O)(=O)N2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000123099858 222216192 /nfs/dbraw/zinc/21/61/92/222216192.db2.gz KMGZTUXVHBNYDC-UHFFFAOYSA-N 1 0 333.435 1.679 20 5 EDBDRO CCC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000273381484 268038232 /nfs/dbraw/zinc/03/82/32/268038232.db2.gz SZEDIZJWYDTDEX-CYBMUJFWSA-N 1 0 326.393 1.817 20 5 EDBDRO CCOC1CC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273501701 268053691 /nfs/dbraw/zinc/05/36/91/268053691.db2.gz YVHRDRLVTXTQGJ-UHFFFAOYSA-N 1 0 328.390 1.526 20 5 EDBDRO COC(=O)C[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273106047 273028698 /nfs/dbraw/zinc/02/86/98/273028698.db2.gz FSCMWLIOSWKPSG-OLZOCXBDSA-N 1 0 338.360 1.362 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000275859922 268379041 /nfs/dbraw/zinc/37/90/41/268379041.db2.gz OPOQRDWNVSLPEG-UHFFFAOYSA-N 1 0 334.376 1.442 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCOC[C@@H]1C ZINC000277485148 268553662 /nfs/dbraw/zinc/55/36/62/268553662.db2.gz OLEPTHRLZGVYMU-AAEUAGOBSA-N 1 0 337.376 1.947 20 5 EDBDRO CC(C)C[NH+]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000273438947 273039807 /nfs/dbraw/zinc/03/98/07/273039807.db2.gz COMHSHIOMBPRRZ-UHFFFAOYSA-N 1 0 342.421 1.020 20 5 EDBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1[NH+]1CCCC1 ZINC000273456336 273040965 /nfs/dbraw/zinc/04/09/65/273040965.db2.gz DPMUEGCRFOFKKJ-ZYHUDNBSSA-N 1 0 325.390 1.840 20 5 EDBDRO C[C@H]1COCC[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000277331194 273189374 /nfs/dbraw/zinc/18/93/74/273189374.db2.gz DXBNGOUAJKLABB-VHSXEESVSA-N 1 0 337.332 1.277 20 5 EDBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000280615664 273378088 /nfs/dbraw/zinc/37/80/88/273378088.db2.gz WFMJHCIEQWNPGM-SUMWQHHRSA-N 1 0 349.387 1.803 20 5 EDBDRO Cc1cc(OCC(=O)N2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000281578377 273495393 /nfs/dbraw/zinc/49/53/93/273495393.db2.gz ZLNWGISDLFEWGE-UHFFFAOYSA-N 1 0 333.388 1.979 20 5 EDBDRO CC(C)OCC[C@@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000349191976 273540602 /nfs/dbraw/zinc/54/06/02/273540602.db2.gz PMRHRJURDKXSHB-OAHLLOKOSA-N 1 0 337.420 1.893 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C)cccc1[N+](=O)[O-] ZINC000282044156 273575831 /nfs/dbraw/zinc/57/58/31/273575831.db2.gz ATTIOLGYCWGXRV-NTZNESFSSA-N 1 0 334.376 1.487 20 5 EDBDRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090538849 274356495 /nfs/dbraw/zinc/35/64/95/274356495.db2.gz IQBKLLLICUDAGR-PBHICJAKSA-N 1 0 344.419 1.687 20 5 EDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000419007872 274368863 /nfs/dbraw/zinc/36/88/63/274368863.db2.gz SKUMXFMEIDVINM-NXEZZACHSA-N 1 0 325.394 1.195 20 5 EDBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000285673116 274613645 /nfs/dbraw/zinc/61/36/45/274613645.db2.gz ZVYXQFQGSKNQDZ-DZGCQCFKSA-N 1 0 341.433 1.792 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)c1 ZINC000262802174 274723030 /nfs/dbraw/zinc/72/30/30/274723030.db2.gz VVQAJWMXCVYGOY-UWVGGRQHSA-N 1 0 347.824 1.928 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCN(c3ncccn3)CC2)cc1 ZINC000369330584 275037320 /nfs/dbraw/zinc/03/73/20/275037320.db2.gz SINIGYXLVBENOU-UHFFFAOYSA-N 1 0 343.387 1.976 20 5 EDBDRO CCOC(=O)c1ccnc(N2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000077930913 276300543 /nfs/dbraw/zinc/30/05/43/276300543.db2.gz BDQNTXYDCRJYQL-UHFFFAOYSA-N 1 0 334.376 1.699 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447580340 277008617 /nfs/dbraw/zinc/00/86/17/277008617.db2.gz NXKURQQTDBEREE-ZOBORPQBSA-N 1 0 335.408 1.779 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000418775211 277026260 /nfs/dbraw/zinc/02/62/60/277026260.db2.gz DMTZYQGQDOXHKU-OLZOCXBDSA-N 1 0 348.403 1.230 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000358252135 277243593 /nfs/dbraw/zinc/24/35/93/277243593.db2.gz SCPDQGVSXJPAST-DFBGVHRSSA-N 1 0 348.403 1.816 20 5 EDBDRO CC[N@@H+]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286555149 288033413 /nfs/dbraw/zinc/03/34/13/288033413.db2.gz AAGVJKYIQCTJSJ-LBPRGKRZSA-N 1 0 335.360 1.339 20 5 EDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000286668875 288058384 /nfs/dbraw/zinc/05/83/84/288058384.db2.gz KMMDAHSYFZTKGV-OAHLLOKOSA-N 1 0 349.435 1.025 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH2+]1 ZINC000262954576 279963818 /nfs/dbraw/zinc/96/38/18/279963818.db2.gz VUNTWRFLAQNFCP-RYUDHWBXSA-N 1 0 329.360 1.651 20 5 EDBDRO C[C@]1(F)C[NH2+]CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000420260160 280164441 /nfs/dbraw/zinc/16/44/41/280164441.db2.gz INGALBYAUXASRI-ZDUSSCGKSA-N 1 0 331.369 1.136 20 5 EDBDRO CC(C)[C@@](C)([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(N)=O ZINC000289349747 288679077 /nfs/dbraw/zinc/67/90/77/288679077.db2.gz MUVOHRXHXSWDBJ-CQSZACIVSA-N 1 0 342.783 1.676 20 5 EDBDRO C[C@H](c1ccccc1)[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000292101333 289261380 /nfs/dbraw/zinc/26/13/80/289261380.db2.gz GKGJQXCDOSBNQK-JLZZUVOBSA-N 1 0 343.383 1.875 20 5 EDBDRO COc1cccc(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000331299450 295287045 /nfs/dbraw/zinc/28/70/45/295287045.db2.gz UHWXCEOAAYCNFH-DGCLKSJQSA-N 1 0 339.417 1.721 20 5 EDBDRO CN1C(=O)NC2(CC[NH+](CC=Cc3ccccc3[N+](=O)[O-])CC2)C1=O ZINC000377717837 447312543 /nfs/dbraw/zinc/31/25/43/447312543.db2.gz ODXKEDUQGBVKDL-GQCTYLIASA-N 1 0 344.371 1.624 20 5 EDBDRO CSc1cccc(C(=O)NC[C@](C)(O)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000419992170 304722694 /nfs/dbraw/zinc/72/26/94/304722694.db2.gz HOHULQFAFZGTQQ-OAHLLOKOSA-N 1 0 341.433 1.749 20 5 EDBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000420036621 304731514 /nfs/dbraw/zinc/73/15/14/304731514.db2.gz JCZNEDFIALZTPX-INIZCTEOSA-N 1 0 335.360 1.774 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)cc1C ZINC000170873450 301426444 /nfs/dbraw/zinc/42/64/44/301426444.db2.gz MGBVMROHNKMVKZ-LBPRGKRZSA-N 1 0 327.406 1.536 20 5 EDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C[NH3+])C1CCCC1 ZINC000420282254 304743250 /nfs/dbraw/zinc/74/32/50/304743250.db2.gz SAAONUNENAGGSY-CYBMUJFWSA-N 1 0 327.406 1.928 20 5 EDBDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420424560 304756782 /nfs/dbraw/zinc/75/67/82/304756782.db2.gz QETWUIYCOIGOJR-AWEZNQCLSA-N 1 0 327.406 1.136 20 5 EDBDRO C[C@@H]1C[C@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000420432480 304757706 /nfs/dbraw/zinc/75/77/06/304757706.db2.gz HDZGYVHLTVCFIK-DGCLKSJQSA-N 1 0 327.406 1.197 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000420448776 304759990 /nfs/dbraw/zinc/75/99/90/304759990.db2.gz JREDINJZBOGWDM-VXGBXAGGSA-N 1 0 327.406 1.617 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000420475429 304763409 /nfs/dbraw/zinc/76/34/09/304763409.db2.gz WRXBLFOIPWCHEW-GXTWGEPZSA-N 1 0 341.433 1.574 20 5 EDBDRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000180465232 301710245 /nfs/dbraw/zinc/71/02/45/301710245.db2.gz QTRDWYXCQGVPAY-GFCCVEGCSA-N 1 0 329.422 1.882 20 5 EDBDRO CCOc1cc(NC(=O)N[C@H](C)C[NH3+])c([N+](=O)[O-])cc1OCC ZINC000414752655 447323012 /nfs/dbraw/zinc/32/30/12/447323012.db2.gz CFYFODCEHLIVPD-SECBINFHSA-N 1 0 326.353 1.861 20 5 EDBDRO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294655384 303132974 /nfs/dbraw/zinc/13/29/74/303132974.db2.gz GZWZICRAJUKORP-IINYFYTJSA-N 1 0 344.375 1.367 20 5 EDBDRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000295087118 303171685 /nfs/dbraw/zinc/17/16/85/303171685.db2.gz BNYUZKOLBFPCGG-QWHCGFSZSA-N 1 0 329.360 1.072 20 5 EDBDRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000295368234 303209956 /nfs/dbraw/zinc/20/99/56/303209956.db2.gz GEPNXAISRLUCKF-LBPRGKRZSA-N 1 0 341.795 1.825 20 5 EDBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295530476 303230535 /nfs/dbraw/zinc/23/05/35/303230535.db2.gz VJXHBKUIEJSQQM-SJORKVTESA-N 1 0 335.404 1.769 20 5 EDBDRO C[C@H]1[C@@H](O)CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000296242083 303304002 /nfs/dbraw/zinc/30/40/02/303304002.db2.gz NMQGVGHRSZSOBA-HZMBPMFUSA-N 1 0 325.340 1.908 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000297010329 303353835 /nfs/dbraw/zinc/35/38/35/303353835.db2.gz VMZUUIHECFBUNZ-ZDUSSCGKSA-N 1 0 336.392 1.872 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[NH+]1CCCC1 ZINC000297733895 303436089 /nfs/dbraw/zinc/43/60/89/303436089.db2.gz CRJVZEWEQVRGPS-UHFFFAOYSA-N 1 0 348.403 1.752 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@@H]12 ZINC000248591895 303472249 /nfs/dbraw/zinc/47/22/49/303472249.db2.gz HFYUSLHVCJEYHG-FXPVBKGRSA-N 1 0 345.808 1.606 20 5 EDBDRO COc1cc(CNC[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OCC(F)F ZINC000414873236 447337475 /nfs/dbraw/zinc/33/74/75/447337475.db2.gz GUCCQJRKWLCCOJ-VIFPVBQESA-N 1 0 333.335 1.932 20 5 EDBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000262523130 304806639 /nfs/dbraw/zinc/80/66/39/304806639.db2.gz OMBICZYLKHWMCM-MWLCHTKSSA-N 1 0 329.353 1.106 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000364661422 304809542 /nfs/dbraw/zinc/80/95/42/304809542.db2.gz PKZGPISYJVOYER-UHFFFAOYSA-N 1 0 339.417 1.749 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000423690942 304904433 /nfs/dbraw/zinc/90/44/33/304904433.db2.gz ZGZLABSEYBKSIJ-SMDDNHRTSA-N 1 0 348.403 1.219 20 5 EDBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000423938915 304919725 /nfs/dbraw/zinc/91/97/25/304919725.db2.gz KRXKVNMJWRPSFL-ZDUSSCGKSA-N 1 0 331.376 1.803 20 5 EDBDRO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2OC)CC[N@@H+]1C[C@@H](C)O ZINC000430231208 305048091 /nfs/dbraw/zinc/04/80/91/305048091.db2.gz XMZGNVLFHUYBGX-HIFRSBDPSA-N 1 0 337.420 1.880 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000430923164 305068243 /nfs/dbraw/zinc/06/82/43/305068243.db2.gz CKXHLLOJWSEVFF-TXEJJXNPSA-N 1 0 336.392 1.614 20 5 EDBDRO C[C@H](NC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)c1cccc([N+](=O)[O-])c1 ZINC000433385215 305107242 /nfs/dbraw/zinc/10/72/42/305107242.db2.gz BBVMKBJIVOHSTH-SMDDNHRTSA-N 1 0 344.375 1.602 20 5 EDBDRO Cn1c(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000437737375 305178902 /nfs/dbraw/zinc/17/89/02/305178902.db2.gz PAJGXMIWZCZRFT-YRGRVCCFSA-N 1 0 336.392 1.257 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000440438684 305206701 /nfs/dbraw/zinc/20/67/01/305206701.db2.gz KAXKINRDTNIJTP-LBPRGKRZSA-N 1 0 325.390 1.418 20 5 EDBDRO CS(=O)(=O)CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447561358 305282187 /nfs/dbraw/zinc/28/21/87/305282187.db2.gz HZLZDYJBRVMWNG-NWDGAFQWSA-N 1 0 330.410 1.299 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447580339 305282610 /nfs/dbraw/zinc/28/26/10/305282610.db2.gz NXKURQQTDBEREE-XJFOESAGSA-N 1 0 335.408 1.779 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](CO)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000447901347 305288155 /nfs/dbraw/zinc/28/81/55/305288155.db2.gz BUGZKCGRZYQUIK-CORIIIEPSA-N 1 0 337.376 1.360 20 5 EDBDRO C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448570358 305298525 /nfs/dbraw/zinc/29/85/25/305298525.db2.gz UAVJTQPTFLEKIO-UHFFFAOYSA-N 1 0 329.360 1.558 20 5 EDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1 ZINC000451301660 305337565 /nfs/dbraw/zinc/33/75/65/305337565.db2.gz OCAXKCNAHDKEOJ-YSVLISHTSA-N 1 0 336.388 1.835 20 5 EDBDRO CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549664 305352866 /nfs/dbraw/zinc/35/28/66/305352866.db2.gz PZPSOXONJJESRG-CYBMUJFWSA-N 1 0 334.376 1.620 20 5 EDBDRO CN(C(=O)C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000451611295 305356223 /nfs/dbraw/zinc/35/62/23/305356223.db2.gz OYYRTIPBWWCZSO-AEFFLSMTSA-N 1 0 347.415 1.944 20 5 EDBDRO NC(=O)c1ccc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000451612444 305356329 /nfs/dbraw/zinc/35/63/29/305356329.db2.gz QDMYWBOWAAFSFQ-GDBMZVCRSA-N 1 0 333.388 1.580 20 5 EDBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000494917882 305633711 /nfs/dbraw/zinc/63/37/11/305633711.db2.gz NMIKZCVCYLFUNI-WCQYABFASA-N 1 0 347.371 1.119 20 5 EDBDRO CCc1cccc2c1OCC[C@@H]2[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515234201 305717464 /nfs/dbraw/zinc/71/74/64/305717464.db2.gz BIWBFUFDHOIDOA-ZBFHGGJFSA-N 1 0 346.387 1.828 20 5 EDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000493635209 447357670 /nfs/dbraw/zinc/35/76/70/447357670.db2.gz VACSCKZZSKLUHH-CXLRFSCWSA-N 1 0 345.334 2.117 20 5 EDBDRO COC[C@@]1(CNCc2cc(OC)c(OC)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000414943786 447367193 /nfs/dbraw/zinc/36/71/93/447367193.db2.gz MROIKWHQDCYWHS-INIZCTEOSA-N 1 0 339.392 1.470 20 5 EDBDRO C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1=CC[N@H+](C)CC1 ZINC000543758792 306069747 /nfs/dbraw/zinc/06/97/47/306069747.db2.gz TYWRYNIPHHIUGK-JTQLQIEISA-N 1 0 333.344 1.704 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000548763649 306137197 /nfs/dbraw/zinc/13/71/97/306137197.db2.gz SKRYTXSEBQGBKX-ZDUSSCGKSA-N 1 0 336.392 1.118 20 5 EDBDRO CC[C@H]1CN(C)CCN1C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000551906538 306167453 /nfs/dbraw/zinc/16/74/53/306167453.db2.gz IJDCDAIWMWYAAS-ZDUSSCGKSA-N 1 0 334.376 1.394 20 5 EDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000449205695 447369042 /nfs/dbraw/zinc/36/90/42/447369042.db2.gz OPRKIXNSKANJSJ-IVMMDQJWSA-N 1 0 335.404 1.751 20 5 EDBDRO COc1cc(C[NH2+]C[C@@H]2CCOC[C@H]2OC)c([N+](=O)[O-])cc1OC ZINC000449455182 447374348 /nfs/dbraw/zinc/37/43/48/447374348.db2.gz LCBVFLFPYJUZCX-MEDUHNTESA-N 1 0 340.376 1.753 20 5 EDBDRO COc1cc(C[NH2+]C[C@H]2CCOC[C@H]2OC)c([N+](=O)[O-])cc1OC ZINC000449455180 447374394 /nfs/dbraw/zinc/37/43/94/447374394.db2.gz LCBVFLFPYJUZCX-BDJLRTHQSA-N 1 0 340.376 1.753 20 5 EDBDRO C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1CCO ZINC000493753786 447388350 /nfs/dbraw/zinc/38/83/50/447388350.db2.gz JVLSRQHRFMPOII-RNBGUABESA-N 1 0 333.388 1.522 20 5 EDBDRO C[N@@H+]1CCO[C@@H]2CN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C[C@@H]21 ZINC000377980975 447393689 /nfs/dbraw/zinc/39/36/89/447393689.db2.gz BZLKSMRLWDMJSZ-WDEREUQCSA-N 1 0 332.282 1.528 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000045053450 440943428 /nfs/dbraw/zinc/94/34/28/440943428.db2.gz PPBLFGGQIOXDCE-CQSZACIVSA-N 1 0 331.376 1.080 20 5 EDBDRO COc1cc(OCC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000057554630 441122330 /nfs/dbraw/zinc/12/23/30/441122330.db2.gz CTIBUZDDPBOLGG-NSHDSACASA-N 1 0 335.360 1.335 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000104076125 441189412 /nfs/dbraw/zinc/18/94/12/441189412.db2.gz WMELCHKAOIEZGE-STQMWFEESA-N 1 0 348.403 1.818 20 5 EDBDRO CCOC[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000081523031 441281680 /nfs/dbraw/zinc/28/16/80/441281680.db2.gz TVBWYKXUQACNRD-ZDUSSCGKSA-N 1 0 333.388 1.842 20 5 EDBDRO CN1CC[N@H+](C)C[C@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000081941562 441325464 /nfs/dbraw/zinc/32/54/64/441325464.db2.gz JVIGKDKCIKJYIU-SNVBAGLBSA-N 1 0 344.213 1.410 20 5 EDBDRO CNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000025579294 441350013 /nfs/dbraw/zinc/35/00/13/441350013.db2.gz RFMMXRUUBBCTOB-UHFFFAOYSA-N 1 0 343.387 1.765 20 5 EDBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000028014039 441422586 /nfs/dbraw/zinc/42/25/86/441422586.db2.gz JXCCFNYQCRCYTK-LLVKDONJSA-N 1 0 327.406 1.743 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000107261133 441405414 /nfs/dbraw/zinc/40/54/14/441405414.db2.gz PNNOFSHFWWIYDF-UHFFFAOYSA-N 1 0 346.391 1.085 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000065746213 441481126 /nfs/dbraw/zinc/48/11/26/441481126.db2.gz GKKJRFQDSYQTAK-UHFFFAOYSA-N 1 0 337.424 1.823 20 5 EDBDRO CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109137235 441489789 /nfs/dbraw/zinc/48/97/89/441489789.db2.gz SMMRKRKKBVWDEI-HNNXBMFYSA-N 1 0 336.392 1.809 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108561080 441464703 /nfs/dbraw/zinc/46/47/03/441464703.db2.gz VNHXSFVGGDILJZ-CQSZACIVSA-N 1 0 348.403 1.887 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000109805459 441508233 /nfs/dbraw/zinc/50/82/33/441508233.db2.gz DHWLWIJLDHJWEP-HZPDHXFCSA-N 1 0 332.404 1.726 20 5 EDBDRO CC[NH+]1CCN(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000112917881 441567672 /nfs/dbraw/zinc/56/76/72/441567672.db2.gz HLFMINURPOZMPB-UHFFFAOYSA-N 1 0 345.403 1.443 20 5 EDBDRO C[N@H+](CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC1 ZINC000066924616 441589483 /nfs/dbraw/zinc/58/94/83/441589483.db2.gz UZKFHGHXIYBCGZ-UHFFFAOYSA-N 1 0 329.360 1.605 20 5 EDBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000067118767 441606238 /nfs/dbraw/zinc/60/62/38/441606238.db2.gz FFFMVCPBFYWKLR-GFCCVEGCSA-N 1 0 329.422 1.912 20 5 EDBDRO CC(C)C[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015493 441614584 /nfs/dbraw/zinc/61/45/84/441614584.db2.gz XOUBWRWQZAUPAM-GFCCVEGCSA-N 1 0 329.422 1.897 20 5 EDBDRO Cc1sc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000114379774 441650799 /nfs/dbraw/zinc/65/07/99/441650799.db2.gz KOJDUCJYPZDTEE-LLVKDONJSA-N 1 0 340.449 1.578 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC(C)(C)O ZINC000114728232 441678550 /nfs/dbraw/zinc/67/85/50/441678550.db2.gz DHLLYEKFPQZUBF-UHFFFAOYSA-N 1 0 325.365 1.635 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000067823438 441683558 /nfs/dbraw/zinc/68/35/58/441683558.db2.gz SGQIQLGPWOTRBK-OAHLLOKOSA-N 1 0 343.387 1.490 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000173337101 441717606 /nfs/dbraw/zinc/71/76/06/441717606.db2.gz NOYAVMHVFNAYQM-NEPJUHHUSA-N 1 0 327.406 1.699 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000067864847 441690191 /nfs/dbraw/zinc/69/01/91/441690191.db2.gz DPGKOOVHCBDLID-DGCLKSJQSA-N 1 0 346.387 1.066 20 5 EDBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000068126101 441738649 /nfs/dbraw/zinc/73/86/49/441738649.db2.gz YOGYDJGGEDECTQ-CQSZACIVSA-N 1 0 337.424 1.952 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)Cc1ccccc1 ZINC000121675037 441756757 /nfs/dbraw/zinc/75/67/57/441756757.db2.gz JLCMRILKMCBKTR-CYBMUJFWSA-N 1 0 344.371 1.598 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000068080521 441724159 /nfs/dbraw/zinc/72/41/59/441724159.db2.gz CUZNDORZAHCSRS-UHFFFAOYSA-N 1 0 335.364 1.169 20 5 EDBDRO CN(C)C(=O)C1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000068367686 441784556 /nfs/dbraw/zinc/78/45/56/441784556.db2.gz VSOAPAZZACEOTG-UHFFFAOYSA-N 1 0 348.403 1.724 20 5 EDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000117241511 441865880 /nfs/dbraw/zinc/86/58/80/441865880.db2.gz SOEOEBFSLMERNW-JTQLQIEISA-N 1 0 330.344 1.118 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000173706503 441826863 /nfs/dbraw/zinc/82/68/63/441826863.db2.gz DEWDKESITGERHA-QGZVFWFLSA-N 1 0 348.447 1.905 20 5 EDBDRO CCc1nn(C)c(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000092827924 441832057 /nfs/dbraw/zinc/83/20/57/441832057.db2.gz SWOGJRLKGBJDSL-RYUDHWBXSA-N 1 0 325.413 1.802 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](CO)C1 ZINC000122201766 441839073 /nfs/dbraw/zinc/83/90/73/441839073.db2.gz WLNJEBVAFBEMRP-GFCCVEGCSA-N 1 0 337.376 1.636 20 5 EDBDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000159983851 441852991 /nfs/dbraw/zinc/85/29/91/441852991.db2.gz URVIWCXAGQJNJN-GFCCVEGCSA-N 1 0 341.795 1.825 20 5 EDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000118126745 441890176 /nfs/dbraw/zinc/89/01/76/441890176.db2.gz KGMMMILYCXKUSH-CYBMUJFWSA-N 1 0 348.403 1.832 20 5 EDBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C)O1 ZINC000123679232 441894946 /nfs/dbraw/zinc/89/49/46/441894946.db2.gz DEEBJWASRQWVAY-VXGBXAGGSA-N 1 0 325.365 1.807 20 5 EDBDRO COC(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000123699723 441895700 /nfs/dbraw/zinc/89/57/00/441895700.db2.gz GSHQGFJKQMHPEE-SMDDNHRTSA-N 1 0 349.387 1.936 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000146621238 441898806 /nfs/dbraw/zinc/89/88/06/441898806.db2.gz JGGNNZWMVVRNSR-CYBMUJFWSA-N 1 0 339.417 1.762 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000119346036 441929234 /nfs/dbraw/zinc/92/92/34/441929234.db2.gz WMEPAYOLSQTVOS-KBPBESRZSA-N 1 0 335.408 1.433 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150746307 441941157 /nfs/dbraw/zinc/94/11/57/441941157.db2.gz FYTZUSFTRBEPTK-AWEZNQCLSA-N 1 0 348.403 1.233 20 5 EDBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000150810302 441953968 /nfs/dbraw/zinc/95/39/68/441953968.db2.gz MTEUHPIRIIYJGZ-LLVKDONJSA-N 1 0 345.421 1.612 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000069528969 441964621 /nfs/dbraw/zinc/96/46/21/441964621.db2.gz APDZHIIYVOQFEW-ZDUSSCGKSA-N 1 0 337.376 1.201 20 5 EDBDRO C[C@H]1C[C@@H](N(C)C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000175100747 442004989 /nfs/dbraw/zinc/00/49/89/442004989.db2.gz MISRNFOVFJBPPN-JSGCOSHPSA-N 1 0 348.403 1.266 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000151110686 442007579 /nfs/dbraw/zinc/00/75/79/442007579.db2.gz FYFGVYHPYNPQNM-SWLSCSKDSA-N 1 0 348.403 1.266 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC1 ZINC000079031439 442010895 /nfs/dbraw/zinc/01/08/95/442010895.db2.gz IFVBAKWFGONAJK-INIZCTEOSA-N 1 0 343.387 1.851 20 5 EDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCN(c2ccccn2)CC1 ZINC000079441000 442047818 /nfs/dbraw/zinc/04/78/18/442047818.db2.gz HJJODFMPMOAJKW-UHFFFAOYSA-N 1 0 330.392 1.787 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[NH+](C)C ZINC000168705243 442224691 /nfs/dbraw/zinc/22/46/91/442224691.db2.gz ARIJDAFFRMULKD-VIFPVBQESA-N 1 0 335.813 1.785 20 5 EDBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000153124598 442262988 /nfs/dbraw/zinc/26/29/88/442262988.db2.gz YPJPLEYTFJOOPA-STQMWFEESA-N 1 0 342.193 1.877 20 5 EDBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@H]1CCSC1 ZINC000153702138 442297473 /nfs/dbraw/zinc/29/74/73/442297473.db2.gz LZORXMCHLNTCEH-HNNXBMFYSA-N 1 0 335.429 1.917 20 5 EDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000153776571 442302144 /nfs/dbraw/zinc/30/21/44/442302144.db2.gz QXEPUJDXQHUDLD-CYBMUJFWSA-N 1 0 329.360 1.712 20 5 EDBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000153083808 442260426 /nfs/dbraw/zinc/26/04/26/442260426.db2.gz QBJZVZCOOIQDRQ-UHFFFAOYSA-N 1 0 345.403 1.818 20 5 EDBDRO CCC(CC)(C[NH3+])NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000154485468 442342105 /nfs/dbraw/zinc/34/21/05/442342105.db2.gz NJXQEDPDCRRUPZ-UHFFFAOYSA-N 1 0 332.360 1.684 20 5 EDBDRO C[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000155122766 442376588 /nfs/dbraw/zinc/37/65/88/442376588.db2.gz MZJKZQXLUUJHNI-SNVBAGLBSA-N 1 0 327.768 1.837 20 5 EDBDRO C[NH+](C)Cc1ccc(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000132937957 442402984 /nfs/dbraw/zinc/40/29/84/442402984.db2.gz QKNAOUXLCMKRHA-UHFFFAOYSA-N 1 0 346.391 1.352 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000172066563 442406141 /nfs/dbraw/zinc/40/61/41/442406141.db2.gz HDPQKLRINGZWDP-GFCCVEGCSA-N 1 0 327.406 1.618 20 5 EDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178107097 442407961 /nfs/dbraw/zinc/40/79/61/442407961.db2.gz IVCHTZFSBFIIDU-GFCCVEGCSA-N 1 0 337.351 1.528 20 5 EDBDRO C[NH2+]C[C@@H](C)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000178349010 442426131 /nfs/dbraw/zinc/42/61/31/442426131.db2.gz BRZONSGUIIRDOX-SNVBAGLBSA-N 1 0 325.365 1.126 20 5 EDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000178852480 442503152 /nfs/dbraw/zinc/50/31/52/442503152.db2.gz DKFBAQFHVRHDAA-JTQLQIEISA-N 1 0 344.371 1.636 20 5 EDBDRO O=C1CCCN1C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000179548693 442473917 /nfs/dbraw/zinc/47/39/17/442473917.db2.gz WADBJGHKTMZIPJ-INIZCTEOSA-N 1 0 343.387 1.745 20 5 EDBDRO C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181491890 442700204 /nfs/dbraw/zinc/70/02/04/442700204.db2.gz JRFURAXCCYFWCF-OLZOCXBDSA-N 1 0 335.408 1.561 20 5 EDBDRO CN(C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CC[NH+](C)CC1 ZINC000180813920 442661449 /nfs/dbraw/zinc/66/14/49/442661449.db2.gz PCVZZPOYQQYIGP-MRXNPFEDSA-N 1 0 346.387 1.640 20 5 EDBDRO COC(=O)CC[N@@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000182114012 442737100 /nfs/dbraw/zinc/73/71/00/442737100.db2.gz BHALGYULGYUWQS-AWEZNQCLSA-N 1 0 335.404 1.707 20 5 EDBDRO CC[NH+](CC)CC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000193847752 442797998 /nfs/dbraw/zinc/79/79/98/442797998.db2.gz ROHWNQHOVYZMMN-UHFFFAOYSA-N 1 0 339.392 1.613 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000265558402 442823622 /nfs/dbraw/zinc/82/36/22/442823622.db2.gz LLXCVZFKHOTAHB-LBPRGKRZSA-N 1 0 341.795 1.628 20 5 EDBDRO CCN(CCC[NH+](C)C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000188882871 442835474 /nfs/dbraw/zinc/83/54/74/442835474.db2.gz NUSKUBZJRRLNSL-UHFFFAOYSA-N 1 0 336.392 1.125 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000183003609 442863135 /nfs/dbraw/zinc/86/31/35/442863135.db2.gz MHRNAANHFVXWDE-BLLLJJGKSA-N 1 0 346.387 1.640 20 5 EDBDRO Cc1nn(CCC(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000268191135 442891800 /nfs/dbraw/zinc/89/18/00/442891800.db2.gz HSCLEPPPVSXKQM-HZMBPMFUSA-N 1 0 335.408 1.397 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000189212015 442898647 /nfs/dbraw/zinc/89/86/47/442898647.db2.gz XBLWFYIMVDOFEE-UHFFFAOYSA-N 1 0 333.369 1.677 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268220505 442906072 /nfs/dbraw/zinc/90/60/72/442906072.db2.gz WQAQHDQDJJEQSC-HNNXBMFYSA-N 1 0 348.403 1.267 20 5 EDBDRO COc1cc(CN2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000183242058 442909763 /nfs/dbraw/zinc/90/97/63/442909763.db2.gz HJXPACLSMOIFKP-UHFFFAOYSA-N 1 0 345.346 1.995 20 5 EDBDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000182322771 318503851 /nfs/dbraw/zinc/50/38/51/318503851.db2.gz QNWNCIGIKWWANN-HUUCEWRRSA-N 1 0 342.417 1.916 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)c1 ZINC000189313048 442918990 /nfs/dbraw/zinc/91/89/90/442918990.db2.gz YRBZMLPUDXRSLW-UHFFFAOYSA-N 1 0 344.350 1.965 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000268306751 442941333 /nfs/dbraw/zinc/94/13/33/442941333.db2.gz YHCXJGIUEZLKFY-DGCLKSJQSA-N 1 0 327.406 1.474 20 5 EDBDRO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000189406614 442943274 /nfs/dbraw/zinc/94/32/74/442943274.db2.gz UYOUORDNIBIMOZ-NEPJUHHUSA-N 1 0 336.392 1.768 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000249095059 442950847 /nfs/dbraw/zinc/95/08/47/442950847.db2.gz FMLBLBLPOYZGJQ-SCRDCRAPSA-N 1 0 348.403 1.864 20 5 EDBDRO CCN(CCO)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000184548024 443036962 /nfs/dbraw/zinc/03/69/62/443036962.db2.gz MLNCLLLJRNLSBR-UHFFFAOYSA-N 1 0 347.419 1.399 20 5 EDBDRO CCc1nc([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cs1 ZINC000184677102 443058150 /nfs/dbraw/zinc/05/81/50/443058150.db2.gz UWNOIQBPZCVZAA-GXSJLCMTSA-N 1 0 325.394 1.522 20 5 EDBDRO CCN1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1=O ZINC000190208056 443070672 /nfs/dbraw/zinc/07/06/72/443070672.db2.gz NJXWWZNKTYSMHF-UHFFFAOYSA-N 1 0 348.403 1.786 20 5 EDBDRO COc1ccc([C@@H](C)[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000266401738 443117073 /nfs/dbraw/zinc/11/70/73/443117073.db2.gz FAAAXDRRYLNXFH-DOMZBBRYSA-N 1 0 334.376 1.854 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000237534659 443175109 /nfs/dbraw/zinc/17/51/09/443175109.db2.gz WWCSRDKXSIGJOB-RYUDHWBXSA-N 1 0 327.406 1.712 20 5 EDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000237528396 443175800 /nfs/dbraw/zinc/17/58/00/443175800.db2.gz GMEXVDSQWUQEAE-QWRGUYRKSA-N 1 0 330.348 1.127 20 5 EDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000326295366 318945443 /nfs/dbraw/zinc/94/54/43/318945443.db2.gz HJVMKMLXIWDFHE-YVACAVLKSA-N 1 0 330.388 1.114 20 5 EDBDRO CC(C)([NH3+])CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269201287 443230751 /nfs/dbraw/zinc/23/07/51/443230751.db2.gz ZIXWWKHASFXDRO-UHFFFAOYSA-N 1 0 334.145 1.964 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1C ZINC000262739923 443209576 /nfs/dbraw/zinc/20/95/76/443209576.db2.gz BQYUCZZWQJFHCD-GWCFXTLKSA-N 1 0 327.406 1.488 20 5 EDBDRO CCC(CC)(C[NH3+])NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269148402 443213381 /nfs/dbraw/zinc/21/33/81/443213381.db2.gz JGAIXSGHTHESEW-UHFFFAOYSA-N 1 0 336.392 1.348 20 5 EDBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000387623042 319132112 /nfs/dbraw/zinc/13/21/12/319132112.db2.gz CIYHFQUWNHWZFB-AWEZNQCLSA-N 1 0 349.435 1.663 20 5 EDBDRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397425679 319134986 /nfs/dbraw/zinc/13/49/86/319134986.db2.gz XOOUAYYTYXHZPZ-MXWKQRLJSA-N 1 0 345.396 1.728 20 5 EDBDRO CC(C)[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H](C)[NH3+] ZINC000399394881 319137528 /nfs/dbraw/zinc/13/75/28/319137528.db2.gz APRQIOZYXUQBQK-CZUORRHYSA-N 1 0 334.420 1.863 20 5 EDBDRO CC(C)[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@H](C)[NH3+] ZINC000399520456 319137640 /nfs/dbraw/zinc/13/76/40/319137640.db2.gz OLBYSYLCMGEULQ-XJKSGUPXSA-N 1 0 334.420 1.863 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC[N@@H+](C)C(C)C ZINC000411246741 319174174 /nfs/dbraw/zinc/17/41/74/319174174.db2.gz SCPCARBWJGZWBT-UHFFFAOYSA-N 1 0 336.392 1.607 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000411661553 319193466 /nfs/dbraw/zinc/19/34/66/319193466.db2.gz AFSWKJQYQHRICE-CYBMUJFWSA-N 1 0 348.403 1.690 20 5 EDBDRO CC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000411899241 319211422 /nfs/dbraw/zinc/21/14/22/319211422.db2.gz BHFDMABTKQIBPP-SECBINFHSA-N 1 0 340.767 1.397 20 5 EDBDRO CCS(=O)(=O)CCC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000414542935 319329655 /nfs/dbraw/zinc/32/96/55/319329655.db2.gz MEMYJVJOFMAWSX-UHFFFAOYSA-N 1 0 332.378 1.223 20 5 EDBDRO C[NH2+][C@H](C)Cc1noc(-c2ccn(-c3ccccc3[N+](=O)[O-])n2)n1 ZINC000414652856 319337006 /nfs/dbraw/zinc/33/70/06/319337006.db2.gz WUUKBZAXXKSQNP-SNVBAGLBSA-N 1 0 328.332 1.981 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000415853015 319377961 /nfs/dbraw/zinc/37/79/61/319377961.db2.gz SGRNNLXMMNBTBN-PWSUYJOCSA-N 1 0 334.376 1.285 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415871586 319380247 /nfs/dbraw/zinc/38/02/47/319380247.db2.gz QOHMEFFCOMYSSR-GFCCVEGCSA-N 1 0 334.376 1.408 20 5 EDBDRO Cc1cc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)ncc1[N+](=O)[O-] ZINC000266862639 443270848 /nfs/dbraw/zinc/27/08/48/443270848.db2.gz XLADUKNFYZSHAE-UHFFFAOYSA-N 1 0 330.392 1.744 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269419486 443307593 /nfs/dbraw/zinc/30/75/93/443307593.db2.gz LIRCKBYPBYZPFB-NHYWBVRUSA-N 1 0 345.403 1.542 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000264596822 443340171 /nfs/dbraw/zinc/34/01/71/443340171.db2.gz XARWDXDEIXTJKT-LLVKDONJSA-N 1 0 339.417 1.767 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000419275630 319580283 /nfs/dbraw/zinc/58/02/83/319580283.db2.gz SGJQNCHBQXWAID-OLZOCXBDSA-N 1 0 348.403 1.148 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000278973853 443478050 /nfs/dbraw/zinc/47/80/50/443478050.db2.gz CXUSDDILSXXJTD-GFCCVEGCSA-N 1 0 348.403 1.502 20 5 EDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc([S@](C)=O)cc1 ZINC000272899909 443484229 /nfs/dbraw/zinc/48/42/29/443484229.db2.gz GBFQAOGYSFKTOE-MCFWBGNESA-N 1 0 349.412 1.845 20 5 EDBDRO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@@H]1CCC[C@H]1O ZINC000270077356 443459614 /nfs/dbraw/zinc/45/96/14/443459614.db2.gz ITSXJGIWNYDILX-XJKSGUPXSA-N 1 0 333.388 1.577 20 5 EDBDRO C[C@@H]1CN(CCN(C)c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000278854445 443462275 /nfs/dbraw/zinc/46/22/75/443462275.db2.gz MBLYJMCKUNNQDR-TXEJJXNPSA-N 1 0 336.392 1.239 20 5 EDBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000264876832 443462804 /nfs/dbraw/zinc/46/28/04/443462804.db2.gz QCXOCNQDBNRZAR-OBJOEFQTSA-N 1 0 348.403 1.358 20 5 EDBDRO O=C(N1CCc2ncc([N+](=O)[O-])cc2C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000423832683 319820448 /nfs/dbraw/zinc/82/04/48/319820448.db2.gz YJBBJUMHXMIDKJ-SUMWQHHRSA-N 1 0 330.388 1.654 20 5 EDBDRO COCC[C@](C)(O)C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000265202357 443568330 /nfs/dbraw/zinc/56/83/30/443568330.db2.gz BBFLBVLWPXQHFH-HNNXBMFYSA-N 1 0 328.365 1.489 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000272321467 443591197 /nfs/dbraw/zinc/59/11/97/443591197.db2.gz UDEURXYQUUASMV-QWRGUYRKSA-N 1 0 337.376 1.811 20 5 EDBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000286077665 443641005 /nfs/dbraw/zinc/64/10/05/443641005.db2.gz HBHDOLLMNLFMFT-GIPNMCIBSA-N 1 0 345.359 1.759 20 5 EDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000286029259 443629209 /nfs/dbraw/zinc/62/92/09/443629209.db2.gz KEFIUCCXAMLLIG-KCWFYHRYSA-N 1 0 344.371 1.965 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000440804153 320080553 /nfs/dbraw/zinc/08/05/53/320080553.db2.gz DINCCTOILVFWFJ-GFCCVEGCSA-N 1 0 327.406 1.632 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000449641940 320195604 /nfs/dbraw/zinc/19/56/04/320195604.db2.gz FLNKGVDMDCHQLM-WCQYABFASA-N 1 0 349.387 1.542 20 5 EDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000449711091 320200956 /nfs/dbraw/zinc/20/09/56/320200956.db2.gz CNFAEWJBJWKVDY-NWDGAFQWSA-N 1 0 329.360 1.638 20 5 EDBDRO Cn1cncc1[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000276232409 443672818 /nfs/dbraw/zinc/67/28/18/443672818.db2.gz KBPPVEMZCVVXQG-IUODEOHRSA-N 1 0 330.344 1.978 20 5 EDBDRO CC(C)[C@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487983554 320357079 /nfs/dbraw/zinc/35/70/79/320357079.db2.gz VVWSKDHHNBAOCP-GDBMZVCRSA-N 1 0 337.420 1.607 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(c3ncnc4sc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000286296121 443684880 /nfs/dbraw/zinc/68/48/80/443684880.db2.gz VJXASWBHTALGPA-MNOVXSKESA-N 1 0 335.389 1.509 20 5 EDBDRO CC(C)[N@H+](CCOCCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000283691286 443690575 /nfs/dbraw/zinc/69/05/75/443690575.db2.gz ITQAGRHUPGXMLL-OAHLLOKOSA-N 1 0 342.392 1.054 20 5 EDBDRO CC(C)([NH3+])c1nocc1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000518562615 320458466 /nfs/dbraw/zinc/45/84/66/320458466.db2.gz MUOQWGCECXEERB-UHFFFAOYSA-N 1 0 331.332 1.370 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC2(CC[NH2+]2)CC1 ZINC000519768981 320473045 /nfs/dbraw/zinc/47/30/45/320473045.db2.gz MJJKTOBCBNQPGC-UHFFFAOYSA-N 1 0 333.344 1.334 20 5 EDBDRO O=C(NCCC[NH2+]C1CC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000520815780 320480266 /nfs/dbraw/zinc/48/02/66/320480266.db2.gz ZTJHEHDEEVHOCS-UHFFFAOYSA-N 1 0 330.348 1.047 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000285180798 443885586 /nfs/dbraw/zinc/88/55/86/443885586.db2.gz VKBRNRNFPNJUDB-HZPDHXFCSA-N 1 0 349.387 1.599 20 5 EDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[N@H+](C)C1 ZINC000285116714 443862008 /nfs/dbraw/zinc/86/20/08/443862008.db2.gz VDUJAVOEZLVNTK-UWVGGRQHSA-N 1 0 340.355 1.107 20 5 EDBDRO Cc1nn(C(C)C)cc1C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000281293126 443871167 /nfs/dbraw/zinc/87/11/67/443871167.db2.gz IRLSRXYZIVMPCH-IAGOWNOFSA-N 1 0 348.403 1.865 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000548369394 320877538 /nfs/dbraw/zinc/87/75/38/320877538.db2.gz QTGUGFVOPFTIGA-NSHDSACASA-N 1 0 343.405 1.366 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000299395401 444036301 /nfs/dbraw/zinc/03/63/01/444036301.db2.gz ULJGMLRBQIHUKS-GXTWGEPZSA-N 1 0 348.403 1.687 20 5 EDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293473032 444027379 /nfs/dbraw/zinc/02/73/79/444027379.db2.gz KPVRXMJAXOJLRY-CYBMUJFWSA-N 1 0 349.309 1.656 20 5 EDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289206495 444076247 /nfs/dbraw/zinc/07/62/47/444076247.db2.gz KASHDFLATADGDI-KRWDZBQOSA-N 1 0 333.388 1.966 20 5 EDBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1[N+](=O)[O-] ZINC000289209668 444077559 /nfs/dbraw/zinc/07/75/59/444077559.db2.gz BWDRJKQETUCXFU-DYVFJYSZSA-N 1 0 346.387 1.856 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[NH2+]Cc2cccnc2)n1 ZINC000563104871 321096229 /nfs/dbraw/zinc/09/62/29/321096229.db2.gz LXNVKPAYNPTVOG-UHFFFAOYSA-N 1 0 332.364 1.116 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCOC2CCCC2)cc1 ZINC000566108270 321215618 /nfs/dbraw/zinc/21/56/18/321215618.db2.gz XOHLIDFAJNMLED-UHFFFAOYSA-N 1 0 342.417 1.917 20 5 EDBDRO C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1cccc(F)c1 ZINC000567690800 321252833 /nfs/dbraw/zinc/25/28/33/321252833.db2.gz JNGXALDSQFAFQW-SMDDNHRTSA-N 1 0 338.339 1.348 20 5 EDBDRO COc1cc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c([N+](=O)[O-])cc1O ZINC000570806590 321358683 /nfs/dbraw/zinc/35/86/83/321358683.db2.gz GNBVHVWVWPNWRT-XHDPSFHLSA-N 1 0 342.392 1.557 20 5 EDBDRO COc1ccc(CC(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000571550878 321391580 /nfs/dbraw/zinc/39/15/80/321391580.db2.gz IWCCMKHUTIZGLA-QWHCGFSZSA-N 1 0 337.376 1.111 20 5 EDBDRO Cc1cnc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])nc1 ZINC000571670916 321396142 /nfs/dbraw/zinc/39/61/42/321396142.db2.gz LFNYSDQPSQQAGO-UHFFFAOYSA-N 1 0 329.360 1.854 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000301378742 444168121 /nfs/dbraw/zinc/16/81/21/444168121.db2.gz XLYVNIQYNCKSEO-GLQYFDAESA-N 1 0 330.388 1.614 20 5 EDBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000301451469 444172236 /nfs/dbraw/zinc/17/22/36/444172236.db2.gz UFBBTZNASITICM-LLVKDONJSA-N 1 0 326.372 1.790 20 5 EDBDRO C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000296238037 444214896 /nfs/dbraw/zinc/21/48/96/444214896.db2.gz CNRLPFVSPIXJHW-JTNHKYCSSA-N 1 0 343.405 1.029 20 5 EDBDRO Cc1cc(Nc2ncc([N+](=O)[O-])c(N)n2)cc(N2CC[NH+](C)CC2)c1 ZINC000302680362 444219109 /nfs/dbraw/zinc/21/91/09/444219109.db2.gz OSBBNKRWGBBSFD-UHFFFAOYSA-N 1 0 343.391 1.771 20 5 EDBDRO COCCN1CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])C[C@H]1C ZINC000301458954 444172909 /nfs/dbraw/zinc/17/29/09/444172909.db2.gz XYHRQEJKFAFWHW-LLVKDONJSA-N 1 0 327.356 1.899 20 5 EDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])C[C@H]21 ZINC000301685795 444184987 /nfs/dbraw/zinc/18/49/87/444184987.db2.gz WUCNRPDSEWUEMM-HZPDHXFCSA-N 1 0 346.387 1.006 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000290327227 444267946 /nfs/dbraw/zinc/26/79/46/444267946.db2.gz WDISNYUCHVFKJL-ZDUSSCGKSA-N 1 0 334.376 1.258 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000305650663 444271661 /nfs/dbraw/zinc/27/16/61/444271661.db2.gz DFCRAZSMMLEUFT-AWEZNQCLSA-N 1 0 335.404 1.870 20 5 EDBDRO Cc1ccc(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000296393328 444225812 /nfs/dbraw/zinc/22/58/12/444225812.db2.gz SZVLEDGGTFNCSP-CQSZACIVSA-N 1 0 336.392 1.872 20 5 EDBDRO C[N@H+](CCNc1nccc(C(N)=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000290648279 444305966 /nfs/dbraw/zinc/30/59/66/444305966.db2.gz OOGYXUKYAKTHDK-UHFFFAOYSA-N 1 0 329.360 1.633 20 5 EDBDRO C[C@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)c1cccc([N+](=O)[O-])c1 ZINC000577470514 321654577 /nfs/dbraw/zinc/65/45/77/321654577.db2.gz YVLUHZURSNWLMT-LWOUBBNUSA-N 1 0 332.360 1.766 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000290686580 444310798 /nfs/dbraw/zinc/31/07/98/444310798.db2.gz FCMCXGNXQDBVHC-ZDUSSCGKSA-N 1 0 334.376 1.306 20 5 EDBDRO C[C@H]1CCC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H]1CO ZINC000305744924 444277261 /nfs/dbraw/zinc/27/72/61/444277261.db2.gz UWTOXJCMOHORES-SWLSCSKDSA-N 1 0 349.387 1.986 20 5 EDBDRO C[C@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297726932 444324722 /nfs/dbraw/zinc/32/47/22/444324722.db2.gz SVLXATUOXYLUDD-WFASDCNBSA-N 1 0 336.392 1.628 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC[C@H]1[NH3+] ZINC000322366503 444339790 /nfs/dbraw/zinc/33/97/90/444339790.db2.gz COLROBVVBIDMOR-GXTWGEPZSA-N 1 0 341.433 1.960 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000323674619 444344882 /nfs/dbraw/zinc/34/48/82/444344882.db2.gz XNKAWIXVVMEVFO-LBPRGKRZSA-N 1 0 336.314 1.879 20 5 EDBDRO C[C@@H]([NH3+])C1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000578742301 321822830 /nfs/dbraw/zinc/82/28/30/321822830.db2.gz SNWJSWHPLAWARS-GFCCVEGCSA-N 1 0 336.392 1.742 20 5 EDBDRO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000340580655 444449130 /nfs/dbraw/zinc/44/91/30/444449130.db2.gz IVPONNDHJGLZQF-OAHLLOKOSA-N 1 0 343.387 1.947 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580172738 322017874 /nfs/dbraw/zinc/01/78/74/322017874.db2.gz SQVMIFFAZYZXSW-QGZVFWFLSA-N 1 0 332.404 1.922 20 5 EDBDRO C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCc2ccccc21 ZINC000581050211 322128246 /nfs/dbraw/zinc/12/82/46/322128246.db2.gz FTIYZWQMOQOQBG-CJNGLKHVSA-N 1 0 345.403 1.193 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](CO)CC2CCC2)cc1 ZINC000581131615 322140245 /nfs/dbraw/zinc/14/02/45/322140245.db2.gz MKYXDHRTPAHNTG-ZDUSSCGKSA-N 1 0 342.417 1.509 20 5 EDBDRO Cc1ccccc1C[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000338377507 444663040 /nfs/dbraw/zinc/66/30/40/444663040.db2.gz CUJPYKPTDXBXTC-UHFFFAOYSA-N 1 0 328.376 1.598 20 5 EDBDRO CCC[N@@H+]1CCC[C@H]1CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000344001994 444720514 /nfs/dbraw/zinc/72/05/14/444720514.db2.gz UCODQHMNANRCLE-LBPRGKRZSA-N 1 0 336.392 2.371 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000344019345 444731840 /nfs/dbraw/zinc/73/18/40/444731840.db2.gz FRCGZOKXNKTPIY-NORZTCDRSA-N 1 0 349.387 1.635 20 5 EDBDRO COc1cc(C[N@@H+]2CCC[C@@](O)(Cn3ccnn3)C2)ccc1[N+](=O)[O-] ZINC000343944991 444685880 /nfs/dbraw/zinc/68/58/80/444685880.db2.gz HKPNQXUMIUWMNC-INIZCTEOSA-N 1 0 347.375 1.222 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000344050811 444750549 /nfs/dbraw/zinc/75/05/49/444750549.db2.gz HYPCOJNKBZTIDH-WOSRLPQWSA-N 1 0 333.388 1.935 20 5 EDBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cc([N+](=O)[O-])nn2C)cc1 ZINC000342627296 444785002 /nfs/dbraw/zinc/78/50/02/444785002.db2.gz OYXDGBUYPPHQHF-ZDUSSCGKSA-N 1 0 347.375 1.370 20 5 EDBDRO CCC[N@@H+](CC(=O)N(C)C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342689343 444814614 /nfs/dbraw/zinc/81/46/14/444814614.db2.gz FACRYVIWNOWWLA-ZDUSSCGKSA-N 1 0 339.392 1.135 20 5 EDBDRO CCNc1ccc(C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC000338648774 444791237 /nfs/dbraw/zinc/79/12/37/444791237.db2.gz ZFRPEFLZKKSNNX-UHFFFAOYSA-N 1 0 346.391 2.037 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000344432167 444966333 /nfs/dbraw/zinc/96/63/33/444966333.db2.gz SRJQGJGWNDJYAW-WCQYABFASA-N 1 0 334.376 1.441 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000344440836 444973722 /nfs/dbraw/zinc/97/37/22/444973722.db2.gz YITSPGIDKGYBGW-DGCLKSJQSA-N 1 0 334.376 1.441 20 5 EDBDRO COc1c(C(=O)N(C)C[C@H]2C[C@@H](OC)C[N@H+]2C)cccc1[N+](=O)[O-] ZINC000344508308 445021789 /nfs/dbraw/zinc/02/17/89/445021789.db2.gz GCWOKUPVRRDPRV-VXGBXAGGSA-N 1 0 337.376 1.395 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000341850885 445034325 /nfs/dbraw/zinc/03/43/25/445034325.db2.gz XQPWGKLFJSKWEA-CYBMUJFWSA-N 1 0 348.403 1.220 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000330587293 445048214 /nfs/dbraw/zinc/04/82/14/445048214.db2.gz MEDICGJLTRDJJC-NWDGAFQWSA-N 1 0 336.392 1.566 20 5 EDBDRO CC[N@@H+]1C[C@@H](C)N(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000330596125 445053057 /nfs/dbraw/zinc/05/30/57/445053057.db2.gz XYMKZEFTDIUXBM-ZIAGYGMSSA-N 1 0 334.420 1.972 20 5 EDBDRO CN(C(=O)C[N@@H+]1CCCC[C@H]1CC(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000339140730 445053068 /nfs/dbraw/zinc/05/30/68/445053068.db2.gz MNXICSGTMQKMFL-AWEZNQCLSA-N 1 0 334.376 1.288 20 5 EDBDRO CCNC(=O)[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000339319410 445131726 /nfs/dbraw/zinc/13/17/26/445131726.db2.gz GAPXSHYDHWXHPA-DOMZBBRYSA-N 1 0 339.392 1.085 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000341981032 445106982 /nfs/dbraw/zinc/10/69/82/445106982.db2.gz DPBQYBCPYJGYKD-NVXWUHKLSA-N 1 0 336.388 1.837 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000330871121 445174570 /nfs/dbraw/zinc/17/45/70/445174570.db2.gz QWZBTMFUBAIXKJ-LBPRGKRZSA-N 1 0 327.406 1.605 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000330810177 445149834 /nfs/dbraw/zinc/14/98/34/445149834.db2.gz OCWRAPSTNGQYEX-GXTWGEPZSA-N 1 0 348.403 1.232 20 5 EDBDRO C[C@@H]1[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343483386 445231549 /nfs/dbraw/zinc/23/15/49/445231549.db2.gz DRFZTRLVBUGIHE-TZMCWYRMSA-N 1 0 343.387 1.993 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000343624862 445268280 /nfs/dbraw/zinc/26/82/80/445268280.db2.gz MTVAEBUATOWVFS-BXUZGUMPSA-N 1 0 336.392 1.885 20 5 EDBDRO Cc1cc(NC2CC[NH+](CCC(=O)N(C)C)CC2)ncc1[N+](=O)[O-] ZINC000348184254 445308957 /nfs/dbraw/zinc/30/89/57/445308957.db2.gz UEPUMRNVXWCWGA-UHFFFAOYSA-N 1 0 335.408 1.653 20 5 EDBDRO COc1ccc(S(=O)(=O)N(C)CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000343641454 445277727 /nfs/dbraw/zinc/27/77/27/445277727.db2.gz CJHZQHGKGOMLGW-UHFFFAOYSA-N 1 0 343.405 1.320 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000354716059 445349076 /nfs/dbraw/zinc/34/90/76/445349076.db2.gz UGTGZQSWGJVFPU-TZMCWYRMSA-N 1 0 348.403 1.339 20 5 EDBDRO C[NH+](C)C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000359810264 445440102 /nfs/dbraw/zinc/44/01/02/445440102.db2.gz UCGOBLGVACPGRY-CQSZACIVSA-N 1 0 335.339 1.350 20 5 EDBDRO COC(=O)COc1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000357125803 445441681 /nfs/dbraw/zinc/44/16/81/445441681.db2.gz WNKSYJICJPEHJH-KBPBESRZSA-N 1 0 349.387 1.188 20 5 EDBDRO [NH3+]Cc1cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc(C(F)(F)F)c1 ZINC000362582690 445450037 /nfs/dbraw/zinc/45/00/37/445450037.db2.gz AXWHWVDPXIULQD-UHFFFAOYSA-N 1 0 344.253 1.303 20 5 EDBDRO CC[NH+]1CCC(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000359952406 445502236 /nfs/dbraw/zinc/50/22/36/445502236.db2.gz MDAQTNGGTWEOPY-MRXNPFEDSA-N 1 0 332.404 1.774 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CC1(O)CCC1 ZINC000353486303 445624900 /nfs/dbraw/zinc/62/49/00/445624900.db2.gz AZXTWRZHEHLDIA-NSHDSACASA-N 1 0 337.376 1.777 20 5 EDBDRO O=C(NC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1)c1ccc[nH]1 ZINC000363044121 445659609 /nfs/dbraw/zinc/65/96/09/445659609.db2.gz MBVXSEVZVQAMMD-UHFFFAOYSA-N 1 0 332.364 1.014 20 5 EDBDRO CNc1c(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cccc1[N+](=O)[O-] ZINC000361219385 445754504 /nfs/dbraw/zinc/75/45/04/445754504.db2.gz DXNZCHAVGIXDCH-UHFFFAOYSA-N 1 0 338.327 2.470 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000356498281 445823837 /nfs/dbraw/zinc/82/38/37/445823837.db2.gz PXGBWWKTMBZIAC-UHFFFAOYSA-N 1 0 331.376 1.580 20 5 EDBDRO O=C(CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000363415449 445794987 /nfs/dbraw/zinc/79/49/87/445794987.db2.gz WNDOQFUYLUZLDP-FMKPAKJESA-N 1 0 344.415 1.949 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000356457736 445800856 /nfs/dbraw/zinc/80/08/56/445800856.db2.gz KOOZIHKTEKFMOK-UHFFFAOYSA-N 1 0 347.375 1.658 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000365973987 445936616 /nfs/dbraw/zinc/93/66/16/445936616.db2.gz XHOPJXPWUNKTOJ-GFCCVEGCSA-N 1 0 334.376 1.315 20 5 EDBDRO CC(C)N1CCC[C@H]([N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)C1=O ZINC000364325952 445911722 /nfs/dbraw/zinc/91/17/22/445911722.db2.gz SMSUHGSSWAFPGO-ZFWWWQNUSA-N 1 0 335.408 1.828 20 5 EDBDRO COc1ccc(C[NH2+][C@H]2CCCc3c2cnn3CCO)cc1[N+](=O)[O-] ZINC000369087452 445922523 /nfs/dbraw/zinc/92/25/23/445922523.db2.gz IDNDUNWMLKRHQM-AWEZNQCLSA-N 1 0 346.387 1.959 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)ccc1[N+](=O)[O-] ZINC000373053364 445995691 /nfs/dbraw/zinc/99/56/91/445995691.db2.gz SRJLKGKXGKHREL-AAEUAGOBSA-N 1 0 335.360 1.193 20 5 EDBDRO Cc1ccc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000369272932 446038852 /nfs/dbraw/zinc/03/88/52/446038852.db2.gz DMZGKVRNXVFIIZ-HNNXBMFYSA-N 1 0 346.431 1.802 20 5 EDBDRO CC(C)[C@H](O)C1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000583565056 326097322 /nfs/dbraw/zinc/09/73/22/326097322.db2.gz ONSVKCNXFFEWLS-CJNGLKHVSA-N 1 0 338.404 1.721 20 5 EDBDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000369319917 446071292 /nfs/dbraw/zinc/07/12/92/446071292.db2.gz SBOWEXMMDLIZRC-LLVKDONJSA-N 1 0 334.376 1.784 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CCN(CCC(F)(F)F)CC2)c1 ZINC000356886027 446095475 /nfs/dbraw/zinc/09/54/75/446095475.db2.gz XIIMOJDLNSPIEJ-UHFFFAOYSA-N 1 0 335.330 1.798 20 5 EDBDRO C[N@@H+]1CCC[C@H](N2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000369360880 446102126 /nfs/dbraw/zinc/10/21/26/446102126.db2.gz YYCIPVNKNSMKEC-KRWDZBQOSA-N 1 0 348.447 1.685 20 5 EDBDRO CCc1n[nH]c(C(=O)NCC2(SC)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000359266602 446102727 /nfs/dbraw/zinc/10/27/27/446102727.db2.gz GRKTXJKSRYVQJI-UHFFFAOYSA-N 1 0 341.437 1.438 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000370416175 446268831 /nfs/dbraw/zinc/26/88/31/446268831.db2.gz XJJCFWASDQLBPQ-UHFFFAOYSA-N 1 0 336.392 1.217 20 5 EDBDRO Cc1cc(C2=CC[N@H+](C[C@@H]3CNC(=O)O3)CC2)cc([N+](=O)[O-])c1N ZINC000366780302 446346752 /nfs/dbraw/zinc/34/67/52/446346752.db2.gz OLQVYASMRLZHBH-ZDUSSCGKSA-N 1 0 332.360 1.683 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000374881228 446433648 /nfs/dbraw/zinc/43/36/48/446433648.db2.gz NLFBDMNGTGMFAY-DZGCQCFKSA-N 1 0 339.417 1.451 20 5 EDBDRO O=C(NC1CC1)c1ccc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)c([N+](=O)[O-])c1 ZINC000420254976 446434426 /nfs/dbraw/zinc/43/44/26/446434426.db2.gz FJALGRHFMHUYBG-OKILXGFUSA-N 1 0 344.415 1.923 20 5 EDBDRO CCOC(=O)c1cc(N2CC[NH2+]C[C@@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000420256088 446435346 /nfs/dbraw/zinc/43/53/46/446435346.db2.gz CGHYLSFMRDBJNU-OAHLLOKOSA-N 1 0 325.340 1.909 20 5 EDBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1CC[NH2+]C1 ZINC000418085582 446435996 /nfs/dbraw/zinc/43/59/96/446435996.db2.gz ASXHGYIREGESOZ-JTQLQIEISA-N 1 0 332.282 1.775 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418085449 446436187 /nfs/dbraw/zinc/43/61/87/446436187.db2.gz VOZHOLXIQJLFJV-PHIMTYICSA-N 1 0 344.375 1.507 20 5 EDBDRO CC(C)NC(=O)c1ccc(NC[C@H]2C[NH2+]CCN2C)c([N+](=O)[O-])c1 ZINC000420265706 446440606 /nfs/dbraw/zinc/44/06/06/446440606.db2.gz FDYCZHDTIMZBLR-CYBMUJFWSA-N 1 0 335.408 1.049 20 5 EDBDRO C[NH+](C)[C@@]1(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCc2ccccc21 ZINC000370738659 446410164 /nfs/dbraw/zinc/41/01/64/446410164.db2.gz ZBFGQDJRWFDWFM-KRWDZBQOSA-N 1 0 343.387 1.311 20 5 EDBDRO C[C@H](NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000418228664 446465093 /nfs/dbraw/zinc/46/50/93/446465093.db2.gz FHRNSDZHTUIZIB-BBRMVZONSA-N 1 0 347.419 1.345 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN(C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000420316296 446481615 /nfs/dbraw/zinc/48/16/15/446481615.db2.gz LZZUQRWOJWNCTD-AWEZNQCLSA-N 1 0 339.417 1.195 20 5 EDBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000420335016 446505095 /nfs/dbraw/zinc/50/50/95/446505095.db2.gz URMYVHHQXRODQO-UHFFFAOYSA-N 1 0 326.784 2.000 20 5 EDBDRO C[C@@H]1CCC[N@@H+]1C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000370898788 446506241 /nfs/dbraw/zinc/50/62/41/446506241.db2.gz HDWNVICJDUVTRS-CZUORRHYSA-N 1 0 337.424 1.101 20 5 EDBDRO COC(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000423516412 446558589 /nfs/dbraw/zinc/55/85/89/446558589.db2.gz GXJTZDKLRCFZCZ-NZVBXONLSA-N 1 0 347.371 1.581 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420363389 446542158 /nfs/dbraw/zinc/54/21/58/446542158.db2.gz HZJNUGBOGVPXID-KRWDZBQOSA-N 1 0 348.403 1.617 20 5 EDBDRO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420435397 446609884 /nfs/dbraw/zinc/60/98/84/446609884.db2.gz SMUUMUUUXLVUDV-RISCZKNCSA-N 1 0 327.406 1.197 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000420439654 446615395 /nfs/dbraw/zinc/61/53/95/446615395.db2.gz BLLGQLNYKBHTFW-STQMWFEESA-N 1 0 341.433 1.960 20 5 EDBDRO C[C@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000420416426 446590575 /nfs/dbraw/zinc/59/05/75/446590575.db2.gz CMJAJWIGIOGEPV-FZMZJTMJSA-N 1 0 327.406 1.484 20 5 EDBDRO O=C(NCCC1=CC[NH2+]CC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418597205 446608695 /nfs/dbraw/zinc/60/86/95/446608695.db2.gz DFNWWXSTGFRSOF-UHFFFAOYSA-N 1 0 346.387 1.809 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000420467749 446643923 /nfs/dbraw/zinc/64/39/23/446643923.db2.gz NJZSTPGDLHQQRJ-VXGBXAGGSA-N 1 0 327.406 1.699 20 5 EDBDRO COC[C@@H]1C[C@@H](OC)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411703398 446652305 /nfs/dbraw/zinc/65/23/05/446652305.db2.gz WZUCQLVKCJEEJV-LSDHHAIUSA-N 1 0 337.376 1.659 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000423735289 446667470 /nfs/dbraw/zinc/66/74/70/446667470.db2.gz PCPHWSUPZJSPLX-YGRLFVJLSA-N 1 0 333.344 1.205 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NCCC[NH2+]C2CC2)c1[N+](=O)[O-] ZINC000420444839 446621685 /nfs/dbraw/zinc/62/16/85/446621685.db2.gz DJHZEWPAMUIBKA-UHFFFAOYSA-N 1 0 327.406 1.632 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000420446153 446622927 /nfs/dbraw/zinc/62/29/27/446622927.db2.gz HAWSITZOLLXCQD-UHFFFAOYSA-N 1 0 347.368 1.163 20 5 EDBDRO C[C@H](NC(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000418786974 446702719 /nfs/dbraw/zinc/70/27/19/446702719.db2.gz TWGJLHCKKIHDNY-MJVIPROJSA-N 1 0 334.376 1.029 20 5 EDBDRO C[C@@H](NC(=O)C(=O)NCCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000418787765 446702861 /nfs/dbraw/zinc/70/28/61/446702861.db2.gz UXAYKBIXRLRCEY-LLVKDONJSA-N 1 0 334.376 1.030 20 5 EDBDRO CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H](C[NH3+])C1CC1 ZINC000423951378 446794772 /nfs/dbraw/zinc/79/47/72/446794772.db2.gz OZBCAMIGAYKMGV-OAHLLOKOSA-N 1 0 329.360 1.590 20 5 EDBDRO O=C(CC[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000375352132 446743787 /nfs/dbraw/zinc/74/37/87/446743787.db2.gz GTRXZPKMFWJJQH-GUYCJALGSA-N 1 0 346.387 1.570 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412047021 446809711 /nfs/dbraw/zinc/80/97/11/446809711.db2.gz OMDNBQROHZYLSR-LJISPDSOSA-N 1 0 336.388 1.427 20 5 EDBDRO Cc1cc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000368390885 446833518 /nfs/dbraw/zinc/83/35/18/446833518.db2.gz UGWKQJQDBUNDQE-KGLIPLIRSA-N 1 0 334.376 1.888 20 5 EDBDRO O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000424134095 446860032 /nfs/dbraw/zinc/86/00/32/446860032.db2.gz XXKVARGQHLYQHO-NSHDSACASA-N 1 0 342.359 1.314 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000371545725 446925686 /nfs/dbraw/zinc/92/56/86/446925686.db2.gz JDFOTTPWIUZTII-ZFWWWQNUSA-N 1 0 347.371 1.339 20 5 EDBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413114695 447010425 /nfs/dbraw/zinc/01/04/25/447010425.db2.gz MVHBGPFDFZQALQ-SNVBAGLBSA-N 1 0 325.344 1.128 20 5 EDBDRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000419159233 446974618 /nfs/dbraw/zinc/97/46/18/446974618.db2.gz ZAQLUDDAVOWBMC-OLZOCXBDSA-N 1 0 348.403 1.359 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](O)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000421011529 446985185 /nfs/dbraw/zinc/98/51/85/446985185.db2.gz JCZVRFZIYDKSPW-VXGBXAGGSA-N 1 0 337.376 1.777 20 5 EDBDRO Cc1ccc(C(=O)N2CCC([N@@H+](C)C[C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000444392847 447100602 /nfs/dbraw/zinc/10/06/02/447100602.db2.gz PBUWTSLYCXAMIT-CYBMUJFWSA-N 1 0 335.404 1.820 20 5 EDBDRO CN(C(=O)[C@H]1C[C@@H]1[N+](=O)[O-])C1CC[NH+](CCc2ccncc2)CC1 ZINC000377481085 447154317 /nfs/dbraw/zinc/15/43/17/447154317.db2.gz GTMHPTVACNGPSH-HOTGVXAUSA-N 1 0 332.404 1.212 20 5 EDBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000413531188 447206688 /nfs/dbraw/zinc/20/66/88/447206688.db2.gz LQVHISJKVZOZCS-LBPRGKRZSA-N 1 0 328.376 1.678 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000421699018 447220735 /nfs/dbraw/zinc/22/07/35/447220735.db2.gz AAFQZOICSWQNBP-CQSZACIVSA-N 1 0 344.375 1.342 20 5 EDBDRO CNc1nc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000456010383 447284562 /nfs/dbraw/zinc/28/45/62/447284562.db2.gz GGIJPALPAAWPMH-UHFFFAOYSA-N 1 0 333.392 1.732 20 5 EDBDRO CNC(=O)c1ccc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369016850 447265810 /nfs/dbraw/zinc/26/58/10/447265810.db2.gz LNOMQPDGJZBTBB-HNNXBMFYSA-N 1 0 343.387 1.988 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2(N3CCOCC3)CC2)n1 ZINC000447598538 447280278 /nfs/dbraw/zinc/28/02/78/447280278.db2.gz VLEXUQMGJDEVSR-HUUCEWRRSA-N 1 0 349.435 1.729 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+]2CCCO)n1 ZINC000450597491 447535043 /nfs/dbraw/zinc/53/50/43/447535043.db2.gz OXYLYGHBRQIXJO-NSHDSACASA-N 1 0 338.364 1.035 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC(C)(C)CN1CC[NH+](CC)CC1 ZINC000450923297 447620675 /nfs/dbraw/zinc/62/06/75/447620675.db2.gz QJPONVFYTMMPTK-UHFFFAOYSA-N 1 0 338.456 1.948 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H](O)Cn3ccnn3)o2)c1 ZINC000459694821 447741684 /nfs/dbraw/zinc/74/16/84/447741684.db2.gz KGJDTBPKTGIFMY-AWEZNQCLSA-N 1 0 343.343 1.597 20 5 EDBDRO C[NH2+]CC1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1 ZINC000422811633 447756656 /nfs/dbraw/zinc/75/66/56/447756656.db2.gz UWOWVAHWGDBBSS-UHFFFAOYSA-N 1 0 335.360 1.453 20 5 EDBDRO N[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cscn1 ZINC000422918572 447772445 /nfs/dbraw/zinc/77/24/45/447772445.db2.gz HPFZNIYTJHGANB-CQSZACIVSA-N 1 0 347.400 1.400 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000575746160 447888395 /nfs/dbraw/zinc/88/83/95/447888395.db2.gz YCGPRRGMXPHIOH-ZWNOBZJWSA-N 1 0 333.344 1.190 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@]2(C)CO)cc1[N+](=O)[O-] ZINC000530442668 447888646 /nfs/dbraw/zinc/88/86/46/447888646.db2.gz LFJSSNXQPMKMEB-MRXNPFEDSA-N 1 0 338.360 1.493 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000525536236 448003961 /nfs/dbraw/zinc/00/39/61/448003961.db2.gz MYKYSUHVJCCVNX-ZYHUDNBSSA-N 1 0 335.360 1.736 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000525819455 448033154 /nfs/dbraw/zinc/03/31/54/448033154.db2.gz OILDAUIJZHAYKX-LLVKDONJSA-N 1 0 327.406 1.523 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000570794407 448065469 /nfs/dbraw/zinc/06/54/69/448065469.db2.gz PHILZDNLEMDXNV-GXFFZTMASA-N 1 0 333.344 1.190 20 5 EDBDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000556932851 448173177 /nfs/dbraw/zinc/17/31/77/448173177.db2.gz CUMZTSRRGOBZPS-UHFFFAOYSA-N 1 0 332.364 1.307 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000591028757 448239390 /nfs/dbraw/zinc/23/93/90/448239390.db2.gz DWZKTWWRMZTIPJ-SWLSCSKDSA-N 1 0 346.387 1.313 20 5 EDBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492651582 448244230 /nfs/dbraw/zinc/24/42/30/448244230.db2.gz UMIDKJWNDYIFKD-XHPSBEMXSA-N 1 0 346.431 1.750 20 5 EDBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCS(=O)(=O)CC1 ZINC000527518214 448246094 /nfs/dbraw/zinc/24/60/94/448246094.db2.gz WGBHXKHNPSSUAL-LBPRGKRZSA-N 1 0 342.417 1.777 20 5 EDBDRO COc1ccc(CC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000572094015 448281203 /nfs/dbraw/zinc/28/12/03/448281203.db2.gz XIXIRXOPZIQSOI-HNNXBMFYSA-N 1 0 335.404 1.945 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000515641240 448338038 /nfs/dbraw/zinc/33/80/38/448338038.db2.gz LEILWRDZOKSMOA-ZDUSSCGKSA-N 1 0 333.436 1.916 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591448941 448366795 /nfs/dbraw/zinc/36/67/95/448366795.db2.gz RCIBXWNKVOTPEL-SWLSCSKDSA-N 1 0 348.403 1.616 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591449626 448368178 /nfs/dbraw/zinc/36/81/78/448368178.db2.gz YODNQHVETWBYFF-BXUZGUMPSA-N 1 0 334.376 1.226 20 5 EDBDRO CC[C@@H](C)Oc1cc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000577723086 448368373 /nfs/dbraw/zinc/36/83/73/448368373.db2.gz FAZNREFSOATILK-IUODEOHRSA-N 1 0 349.391 1.514 20 5 EDBDRO CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C[NH3+])C1 ZINC000516059232 448374309 /nfs/dbraw/zinc/37/43/09/448374309.db2.gz CRYGTTJIAKYHJD-LBPRGKRZSA-N 1 0 334.401 1.524 20 5 EDBDRO O=C(CC[NH2+][C@@H](CO)[C@H]1CCCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000566233027 448423478 /nfs/dbraw/zinc/42/34/78/448423478.db2.gz WWZLFKOXFQUSPJ-JSGCOSHPSA-N 1 0 337.376 1.301 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000591683386 448450728 /nfs/dbraw/zinc/45/07/28/448450728.db2.gz FFFTUVKMERNYMW-ZDUSSCGKSA-N 1 0 348.403 1.363 20 5 EDBDRO Cc1ccccc1C1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000591734996 448476106 /nfs/dbraw/zinc/47/61/06/448476106.db2.gz HARRAAKABWCCBN-OAHLLOKOSA-N 1 0 330.388 1.782 20 5 EDBDRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000535042183 448479372 /nfs/dbraw/zinc/47/93/72/448479372.db2.gz UZISRVXSRISMGR-CYBMUJFWSA-N 1 0 341.433 1.399 20 5 EDBDRO CCC(CC)[C@H](O)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000516867365 448486189 /nfs/dbraw/zinc/48/61/89/448486189.db2.gz UEKGRUUGFPDHIJ-OAHLLOKOSA-N 1 0 344.433 1.755 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccccc2N2CCCC2)c1 ZINC000591727966 448473454 /nfs/dbraw/zinc/47/34/54/448473454.db2.gz QVJAIBUGUWMNCL-INIZCTEOSA-N 1 0 345.403 1.542 20 5 EDBDRO CC1(C)C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000584390787 448505866 /nfs/dbraw/zinc/50/58/66/448505866.db2.gz SCWIOOGDBHDEMX-CQSZACIVSA-N 1 0 335.360 1.596 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CCO)c1ccccc1F ZINC000592159149 448717409 /nfs/dbraw/zinc/71/74/09/448717409.db2.gz DMADPNSFVFPOTR-OAHLLOKOSA-N 1 0 335.335 1.609 20 5 EDBDRO Cc1c(Br)c(=O)n(CC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592163010 448718320 /nfs/dbraw/zinc/71/83/20/448718320.db2.gz CTEOGIQRTMFTHD-UHFFFAOYSA-N 1 0 330.182 1.827 20 5 EDBDRO CC1([NH3+])CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000592331138 448794752 /nfs/dbraw/zinc/79/47/52/448794752.db2.gz JONIGYIZHLMBNU-UHFFFAOYSA-N 1 0 329.360 1.734 20 5 EDBDRO CC(C)(CO)[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000587979303 448849172 /nfs/dbraw/zinc/84/91/72/448849172.db2.gz VPMUQXQHNGJVPH-UHFFFAOYSA-N 1 0 337.405 1.492 20 5 EDBDRO CN1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000579854730 448897530 /nfs/dbraw/zinc/89/75/30/448897530.db2.gz JUFBYYHEFKLSPQ-OAHLLOKOSA-N 1 0 337.424 1.103 20 5 EDBDRO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(=O)NCC[NH+](C)C ZINC000574651677 448926322 /nfs/dbraw/zinc/92/63/22/448926322.db2.gz SPUZBHKRFGXFAV-SNVBAGLBSA-N 1 0 348.359 1.137 20 5 EDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000521445182 448987314 /nfs/dbraw/zinc/98/73/14/448987314.db2.gz CSPRSKRVMDOWMK-JSGCOSHPSA-N 1 0 341.433 1.539 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000589111398 448970411 /nfs/dbraw/zinc/97/04/11/448970411.db2.gz IGZNBWAUACNLTB-NSHDSACASA-N 1 0 342.421 1.020 20 5 EDBDRO COc1ccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000548042490 448974512 /nfs/dbraw/zinc/97/45/12/448974512.db2.gz JAXALVPOKMMHTJ-LLVKDONJSA-N 1 0 343.405 1.366 20 5 EDBDRO Cc1sc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588863054 448942794 /nfs/dbraw/zinc/94/27/94/448942794.db2.gz ONPAWKCUCHWPSS-QWRGUYRKSA-N 1 0 325.390 1.246 20 5 EDBDRO Cn1cncc1CCCn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000582132851 449020636 /nfs/dbraw/zinc/02/06/36/449020636.db2.gz ALSAIJJXLSJQST-UHFFFAOYSA-N 1 0 329.316 1.778 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589508360 449027341 /nfs/dbraw/zinc/02/73/41/449027341.db2.gz JIYVQVJEJDCFGU-OLZOCXBDSA-N 1 0 335.360 1.386 20 5 EDBDRO C[C@H](CS(C)(=O)=O)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000575213859 449062880 /nfs/dbraw/zinc/06/28/80/449062880.db2.gz NTKZCQCYGVVJAP-SNVBAGLBSA-N 1 0 325.390 1.641 20 5 EDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548714648 449087670 /nfs/dbraw/zinc/08/76/70/449087670.db2.gz WBCZRZNANXRCFJ-TXEJJXNPSA-N 1 0 335.408 1.670 20 5 EDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593596269 449097018 /nfs/dbraw/zinc/09/70/18/449097018.db2.gz ZVGPVCXEPHCPOJ-AAEUAGOBSA-N 1 0 340.405 1.237 20 5 EDBDRO CC(C)([NH2+]C[C@H](O)COC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000590020178 449098397 /nfs/dbraw/zinc/09/83/97/449098397.db2.gz MNTIPHWIQMWRRN-KBPBESRZSA-N 1 0 338.404 1.976 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590047139 449101154 /nfs/dbraw/zinc/10/11/54/449101154.db2.gz UHDYXPKDQMTQCS-ZYHUDNBSSA-N 1 0 341.314 1.972 20 5 EDBDRO C[NH2+]CCOCCN(C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000599920808 449109389 /nfs/dbraw/zinc/10/93/89/449109389.db2.gz NQKYSCIRLCJKQJ-CYBMUJFWSA-N 1 0 338.408 1.842 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000599933676 449114652 /nfs/dbraw/zinc/11/46/52/449114652.db2.gz HYQJXCFAOXIUKN-UONOGXRCSA-N 1 0 347.419 1.567 20 5 EDBDRO CC(C)(C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000599939953 449117941 /nfs/dbraw/zinc/11/79/41/449117941.db2.gz KADRAETYFMQNSU-UONOGXRCSA-N 1 0 347.415 1.540 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000590281838 449124218 /nfs/dbraw/zinc/12/42/18/449124218.db2.gz SEDABKKRSXXLOV-SWLSCSKDSA-N 1 0 346.387 1.258 20 5 EDBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000597942765 449152716 /nfs/dbraw/zinc/15/27/16/449152716.db2.gz NXUIYMQSILZFFW-LBPRGKRZSA-N 1 0 340.399 1.736 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000595783075 449163645 /nfs/dbraw/zinc/16/36/45/449163645.db2.gz QBUIDBYWDOSPOL-CABCVRRESA-N 1 0 349.387 1.825 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)[C@@H]2C1 ZINC000590442371 449163781 /nfs/dbraw/zinc/16/37/81/449163781.db2.gz FYCLISYQHSFZHO-GXFFZTMASA-N 1 0 333.344 1.142 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000590444163 449165566 /nfs/dbraw/zinc/16/55/66/449165566.db2.gz LSLCEARHWJYNOX-OTYXRUKQSA-N 1 0 325.315 1.578 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC000597926339 449144641 /nfs/dbraw/zinc/14/46/41/449144641.db2.gz YXTGBTXATVGRGG-CYBMUJFWSA-N 1 0 349.387 1.984 20 5 EDBDRO CNc1ccc(C(=O)NCCN(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000597989313 449173975 /nfs/dbraw/zinc/17/39/75/449173975.db2.gz CRMILEDVOPJONN-UHFFFAOYSA-N 1 0 337.424 1.250 20 5 EDBDRO COc1ccc(C(=O)NCCN(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000597990350 449174945 /nfs/dbraw/zinc/17/49/45/449174945.db2.gz SZOYVANDIIRIMD-UHFFFAOYSA-N 1 0 338.408 1.217 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000590566467 449193328 /nfs/dbraw/zinc/19/33/28/449193328.db2.gz JPTXPBRYIYYDMC-YWPYICTPSA-N 1 0 348.403 1.264 20 5 EDBDRO Cc1cc([N+](=O)[O-])cn(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1=O ZINC000601956639 449243862 /nfs/dbraw/zinc/24/38/62/449243862.db2.gz CHWHYVBJASNBCQ-GOSISDBHSA-N 1 0 343.383 1.702 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000595916459 449252017 /nfs/dbraw/zinc/25/20/17/449252017.db2.gz UMPYZUFAMBQGPI-LLVKDONJSA-N 1 0 329.360 1.667 20 5 EDBDRO O=C(N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1([NH2+]C2CC2)CCC1 ZINC000595928482 449258233 /nfs/dbraw/zinc/25/82/33/449258233.db2.gz HKTNGILRMMGIQF-UHFFFAOYSA-N 1 0 344.415 1.918 20 5 EDBDRO CC1(C)CC[NH2+][C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000595929792 449260123 /nfs/dbraw/zinc/26/01/23/449260123.db2.gz YVSMLJRKYGXOIV-CQSZACIVSA-N 1 0 333.392 1.027 20 5 EDBDRO CCO[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C[NH3+] ZINC000593317934 449223770 /nfs/dbraw/zinc/22/37/70/449223770.db2.gz ZXCXOWSXDPPAAN-BXUZGUMPSA-N 1 0 345.346 1.992 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000593921302 449288111 /nfs/dbraw/zinc/28/81/11/449288111.db2.gz ULYBBXHKZREUPN-ZJUUUORDSA-N 1 0 329.378 1.104 20 5 EDBDRO C[NH+](C)CCN1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1=O ZINC000593485989 449305200 /nfs/dbraw/zinc/30/52/00/449305200.db2.gz FLAJBQNACYNSKV-UHFFFAOYSA-N 1 0 343.387 1.353 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@H](C)[C@H](C)[NH3+])c1 ZINC000593906724 449277028 /nfs/dbraw/zinc/27/70/28/449277028.db2.gz RZNCGZZMKATGDK-NWDGAFQWSA-N 1 0 331.376 1.614 20 5 EDBDRO O=C(NCC12CC(C1)C[NH2+]2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000595950809 449277529 /nfs/dbraw/zinc/27/75/29/449277529.db2.gz MYZQTTAOAOEGAL-UHFFFAOYSA-N 1 0 330.388 1.677 20 5 EDBDRO [NH3+]CC1(CCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000593915360 449283587 /nfs/dbraw/zinc/28/35/87/449283587.db2.gz VMNPKLMLGOBGBY-UHFFFAOYSA-N 1 0 329.360 1.639 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CC(C)(C)[NH3+])cc1OC ZINC000595961944 449284384 /nfs/dbraw/zinc/28/43/84/449284384.db2.gz NUNWTXRNCMEUTL-UHFFFAOYSA-N 1 0 325.365 1.811 20 5 EDBDRO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000602102629 449346597 /nfs/dbraw/zinc/34/65/97/449346597.db2.gz QYVPNBPIPTUNER-STQMWFEESA-N 1 0 333.392 1.344 20 5 EDBDRO CS[C@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000593562638 449352580 /nfs/dbraw/zinc/35/25/80/449352580.db2.gz WBMOBFSVSSCFDJ-KGLIPLIRSA-N 1 0 341.408 1.780 20 5 EDBDRO CN1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596100854 449362207 /nfs/dbraw/zinc/36/22/07/449362207.db2.gz CCADLGMREAJADO-UHFFFAOYSA-N 1 0 335.408 1.133 20 5 EDBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000594025441 449330703 /nfs/dbraw/zinc/33/07/03/449330703.db2.gz LSGYTLMTAPROQI-QWHCGFSZSA-N 1 0 345.321 1.864 20 5 EDBDRO CC[NH+]1CCN([C@H](C)CNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611702487 449388546 /nfs/dbraw/zinc/38/85/46/449388546.db2.gz UIYZHDBEMXDACL-CYBMUJFWSA-N 1 0 344.419 1.976 20 5 EDBDRO CC[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C[C@H](C)[NH2+]1 ZINC000598536205 449451551 /nfs/dbraw/zinc/45/15/51/449451551.db2.gz OOJIKMLDHBHPQP-NWDGAFQWSA-N 1 0 337.376 1.581 20 5 EDBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000598540500 449454948 /nfs/dbraw/zinc/45/49/48/449454948.db2.gz OKOARASNXPXZOH-OAHLLOKOSA-N 1 0 339.367 1.917 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000596309540 449467709 /nfs/dbraw/zinc/46/77/09/449467709.db2.gz UPKJVZGIQSBIOY-LLVKDONJSA-N 1 0 331.376 2.528 20 5 EDBDRO O=[N+]([O-])c1c(NC[C@H]2CC[N@@H+](C3CC3)C2)ncnc1N1CCOCC1 ZINC000598587636 449478160 /nfs/dbraw/zinc/47/81/60/449478160.db2.gz UBIVQIWGFWNEJS-GFCCVEGCSA-N 1 0 348.407 1.118 20 5 EDBDRO COC(=O)c1ccnc(N2CC[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000598596620 449482583 /nfs/dbraw/zinc/48/25/83/449482583.db2.gz MIJKARXTLUEXEM-LBPRGKRZSA-N 1 0 334.376 1.699 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000600669980 449483071 /nfs/dbraw/zinc/48/30/71/449483071.db2.gz ZIEMHSVGIWLGRP-IMRBUKKESA-N 1 0 339.417 1.392 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000598612975 449494198 /nfs/dbraw/zinc/49/41/98/449494198.db2.gz UDKGAWZNIHSAST-NSHDSACASA-N 1 0 329.422 1.830 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600743310 449529959 /nfs/dbraw/zinc/52/99/59/449529959.db2.gz LQAXJORFMFPUAR-CALCHBBNSA-N 1 0 332.404 1.773 20 5 EDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cc([N+](=O)[O-])cc3c1OCCO3)C2 ZINC000598668583 449531010 /nfs/dbraw/zinc/53/10/10/449531010.db2.gz ATOJZAUEMTWTKT-MGPLVRAMSA-N 1 0 333.344 1.319 20 5 EDBDRO O=[N+]([O-])c1ccc2ncnc(N3CCC([N@@H+]4CC[C@H](O)C4)CC3)c2c1 ZINC000596537882 449545526 /nfs/dbraw/zinc/54/55/26/449545526.db2.gz JFWZADFAIBCVHS-AWEZNQCLSA-N 1 0 343.387 1.573 20 5 EDBDRO O=[N+]([O-])c1ccc2c(c1N1CCC([N@@H+]3CC[C@H](O)C3)CC1)CCN2 ZINC000596541580 449546625 /nfs/dbraw/zinc/54/66/25/449546625.db2.gz ZLFZVMXWQGUDMN-ZDUSSCGKSA-N 1 0 332.404 1.598 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598614574 449495518 /nfs/dbraw/zinc/49/55/18/449495518.db2.gz LQOXQMAVXPHABI-BETUJISGSA-N 1 0 341.433 1.830 20 5 EDBDRO O=[N+]([O-])c1ccc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)nc1 ZINC000596425517 449496877 /nfs/dbraw/zinc/49/68/77/449496877.db2.gz ZIPJYIWIOAXSRL-MRXNPFEDSA-N 1 0 328.372 2.169 20 5 EDBDRO CC(C)Oc1nc(NCCN2C[C@@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596426488 449497031 /nfs/dbraw/zinc/49/70/31/449497031.db2.gz AQVWGYVUANRSBU-QWHCGFSZSA-N 1 0 338.408 2.298 20 5 EDBDRO O=[N+]([O-])c1cnc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)s1 ZINC000596425500 449497493 /nfs/dbraw/zinc/49/74/93/449497493.db2.gz ZCUVPWGKKQAXJG-ZDUSSCGKSA-N 1 0 334.401 2.230 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]C[C@@H]1C(C)C ZINC000600714604 449512078 /nfs/dbraw/zinc/51/20/78/449512078.db2.gz NUCFALMQVOCFPW-CQSZACIVSA-N 1 0 336.392 1.472 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)C[C@H](C)[NH2+]1 ZINC000602432215 449582474 /nfs/dbraw/zinc/58/24/74/449582474.db2.gz FGJRJKVXPMAFOQ-PHIMTYICSA-N 1 0 347.350 1.742 20 5 EDBDRO CO[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@](C)(C[NH3+])C1 ZINC000600880076 449583701 /nfs/dbraw/zinc/58/37/01/449583701.db2.gz OXJVTKYITUYSNE-QMTHXVAHSA-N 1 0 327.768 1.827 20 5 EDBDRO CSc1cccc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000600807370 449555389 /nfs/dbraw/zinc/55/53/89/449555389.db2.gz BHUSEFXDCIJIGH-JTQLQIEISA-N 1 0 325.390 1.113 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598715252 449558718 /nfs/dbraw/zinc/55/87/18/449558718.db2.gz NUKNCQMPBIPSNO-AWEZNQCLSA-N 1 0 327.406 1.571 20 5 EDBDRO [NH3+]C[C@@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000594523946 449561311 /nfs/dbraw/zinc/56/13/11/449561311.db2.gz FOIARHRPCMDZRS-LLVKDONJSA-N 1 0 348.281 1.257 20 5 EDBDRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000598720117 449561821 /nfs/dbraw/zinc/56/18/21/449561821.db2.gz MLFFPALZJJLYDA-NOZJJQNGSA-N 1 0 345.808 1.750 20 5 EDBDRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000598721890 449562731 /nfs/dbraw/zinc/56/27/31/449562731.db2.gz XSLHEHIIELMJIX-NOZJJQNGSA-N 1 0 345.808 1.750 20 5 EDBDRO CO[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@](C)(C[NH3+])C1 ZINC000600881549 449584953 /nfs/dbraw/zinc/58/49/53/449584953.db2.gz YZJPUYPHLWIPKZ-IINYFYTJSA-N 1 0 327.768 1.827 20 5 EDBDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2Cc2cn(C)nc2[N+](=O)[O-])C[C@H](C)O1 ZINC000602456195 449603348 /nfs/dbraw/zinc/60/33/48/449603348.db2.gz VIHMPELZSZMSIH-VNHYZAJKSA-N 1 0 337.424 1.402 20 5 EDBDRO C[C@H]1CCC[C@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000594731960 449655434 /nfs/dbraw/zinc/65/54/34/449655434.db2.gz HQXCVZIEGUZEPD-GXTWGEPZSA-N 1 0 342.417 1.916 20 5 EDBDRO C[C@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000594749365 449665424 /nfs/dbraw/zinc/66/54/24/449665424.db2.gz SNVCILCEGVZFLW-NWDGAFQWSA-N 1 0 342.421 1.389 20 5 EDBDRO O=C(NC[C@@H]1COCC[NH2+]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000602550568 449667955 /nfs/dbraw/zinc/66/79/55/449667955.db2.gz KWLXRBWQLODYIV-SECBINFHSA-N 1 0 344.165 1.076 20 5 EDBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594758376 449673029 /nfs/dbraw/zinc/67/30/29/449673029.db2.gz QEYQQYLIPYGAIC-GFCCVEGCSA-N 1 0 342.421 1.342 20 5 EDBDRO CN1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1=O ZINC000602573633 449681796 /nfs/dbraw/zinc/68/17/96/449681796.db2.gz SYTPTIQYSGZPQQ-AWEZNQCLSA-N 1 0 333.392 1.169 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000599106148 449737628 /nfs/dbraw/zinc/73/76/28/449737628.db2.gz SMOUDMMJKUNVFQ-VXGBXAGGSA-N 1 0 327.406 1.630 20 5 EDBDRO CN(C[C@H](O)CN1CCOCC1)c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601125957 449703357 /nfs/dbraw/zinc/70/33/57/449703357.db2.gz LKEFMBNZYMGTDC-AWEZNQCLSA-N 1 0 346.387 1.272 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000599106146 449738475 /nfs/dbraw/zinc/73/84/75/449738475.db2.gz SMOUDMMJKUNVFQ-NWDGAFQWSA-N 1 0 327.406 1.630 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)n1 ZINC000601177265 449734571 /nfs/dbraw/zinc/73/45/71/449734571.db2.gz SCSJMZGWFUEMLT-CQSZACIVSA-N 1 0 347.419 1.714 20 5 EDBDRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000599103575 449735607 /nfs/dbraw/zinc/73/56/07/449735607.db2.gz QYRYKTXKKMDHGL-HNNXBMFYSA-N 1 0 341.433 1.397 20 5 EDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594778312 449690254 /nfs/dbraw/zinc/69/02/54/449690254.db2.gz HGXMPYBJPCQXKC-NEPJUHHUSA-N 1 0 340.405 1.237 20 5 EDBDRO CC(C)(CN1CCOCC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602689392 449751600 /nfs/dbraw/zinc/75/16/00/449751600.db2.gz GROBWHALQCJJGP-UHFFFAOYSA-N 1 0 334.376 1.936 20 5 EDBDRO O=C(CCN1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000601333362 449841320 /nfs/dbraw/zinc/84/13/20/449841320.db2.gz CQRVCWFCKHBLIF-HIFRSBDPSA-N 1 0 332.404 1.997 20 5 EDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)CC1(O)CCOCC1 ZINC000602830937 449841753 /nfs/dbraw/zinc/84/17/53/449841753.db2.gz MLDAVJSZXJPCDQ-HNNXBMFYSA-N 1 0 338.404 1.362 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601334454 449842540 /nfs/dbraw/zinc/84/25/40/449842540.db2.gz KSNUKWIZQQANEQ-UONOGXRCSA-N 1 0 332.404 1.916 20 5 EDBDRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000597207465 449870754 /nfs/dbraw/zinc/87/07/54/449870754.db2.gz XZDPNVOGFIFTLL-UHFFFAOYSA-N 1 0 342.827 1.700 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC(C)([NH3+])CC2)c(C)cc1[N+](=O)[O-] ZINC000595107840 449871989 /nfs/dbraw/zinc/87/19/89/449871989.db2.gz GHEAUCUDEPFNMU-UHFFFAOYSA-N 1 0 327.406 1.714 20 5 EDBDRO CCOc1cc(CN2CCC[C@](O)(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000602877802 449885709 /nfs/dbraw/zinc/88/57/09/449885709.db2.gz QXEMZYGGHRVVPT-KRWDZBQOSA-N 1 0 337.420 1.882 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602925463 449925450 /nfs/dbraw/zinc/92/54/50/449925450.db2.gz WGJCCDNAYOVGQV-HUUCEWRRSA-N 1 0 332.360 1.224 20 5 EDBDRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000599415409 449960435 /nfs/dbraw/zinc/96/04/35/449960435.db2.gz OGXSQIAGJGVGNS-ZDUSSCGKSA-N 1 0 341.433 1.746 20 5 EDBDRO C[NH+](C)C1(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000601450210 449973732 /nfs/dbraw/zinc/97/37/32/449973732.db2.gz MMGAOSALUZISTM-UHFFFAOYSA-N 1 0 327.406 1.151 20 5 EDBDRO COc1ccc(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000597438008 450020750 /nfs/dbraw/zinc/02/07/50/450020750.db2.gz BLBHWYHOXBVWOE-CQSZACIVSA-N 1 0 334.376 1.545 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1C ZINC000615293324 450050719 /nfs/dbraw/zinc/05/07/19/450050719.db2.gz DULVICSSIQZOKY-CHWSQXEVSA-N 1 0 341.433 1.973 20 5 EDBDRO COc1ccc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000609572558 450055495 /nfs/dbraw/zinc/05/54/95/450055495.db2.gz CXJFMMTZVKRHSX-ZBFHGGJFSA-N 1 0 335.404 1.634 20 5 EDBDRO CCOc1cc(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)ccc1[N+](=O)[O-] ZINC000599624068 450110726 /nfs/dbraw/zinc/11/07/26/450110726.db2.gz JXYCGANPTTXMSZ-CALCHBBNSA-N 1 0 338.404 1.806 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000597573588 450116862 /nfs/dbraw/zinc/11/68/62/450116862.db2.gz FXKARUHHRIJFEO-SFHVURJKSA-N 1 0 349.431 1.788 20 5 EDBDRO COc1c(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000597573637 450117600 /nfs/dbraw/zinc/11/76/00/450117600.db2.gz HEUHEEPMOIXONW-INIZCTEOSA-N 1 0 337.376 1.132 20 5 EDBDRO COCC[NH2+]CCc1cn(Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000603213856 450147450 /nfs/dbraw/zinc/14/74/50/450147450.db2.gz AYUHKWPSQIGALQ-UHFFFAOYSA-N 1 0 339.783 1.667 20 5 EDBDRO O=[N+]([O-])c1ccccc1OCCn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000603200156 450136449 /nfs/dbraw/zinc/13/64/49/450136449.db2.gz DYHQNLSVGFXYDV-CYBMUJFWSA-N 1 0 331.376 1.807 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000618460381 450209278 /nfs/dbraw/zinc/20/92/78/450209278.db2.gz DALCEOXSUVJRNK-UHFFFAOYSA-N 1 0 334.420 1.661 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c1 ZINC000610447424 450222172 /nfs/dbraw/zinc/22/21/72/450222172.db2.gz GVZKXLROYZNCPF-GASCZTMLSA-N 1 0 327.388 1.860 20 5 EDBDRO C[N@@H+]1CCC[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000615676996 450195673 /nfs/dbraw/zinc/19/56/73/450195673.db2.gz MDIBLVFOLUXESW-LBPRGKRZSA-N 1 0 334.376 1.462 20 5 EDBDRO Cc1nc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000603421778 450293629 /nfs/dbraw/zinc/29/36/29/450293629.db2.gz CDNQTHIOXPFZPS-HNNXBMFYSA-N 1 0 349.435 1.507 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000619481585 450485767 /nfs/dbraw/zinc/48/57/67/450485767.db2.gz IYVYKLCVHDESGA-CQSZACIVSA-N 1 0 336.440 1.336 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000419162910 517818424 /nfs/dbraw/zinc/81/84/24/517818424.db2.gz KVVZCGMOSBMLFP-CQDKDKBSSA-N 1 0 348.403 1.358 20 5 EDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc([S@](C)=O)cc1 ZINC000272899915 518178162 /nfs/dbraw/zinc/17/81/62/518178162.db2.gz GBFQAOGYSFKTOE-YYUOZPCZSA-N 1 0 349.412 1.845 20 5 EDBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000185753549 527030223 /nfs/dbraw/zinc/03/02/23/527030223.db2.gz FGGWUXRPLZBPIE-UHFFFAOYSA-N 1 0 337.424 1.952 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188696423 527089939 /nfs/dbraw/zinc/08/99/39/527089939.db2.gz KFVMFKNRFZVUNF-UHFFFAOYSA-N 1 0 329.360 1.409 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000174020797 527837790 /nfs/dbraw/zinc/83/77/90/527837790.db2.gz CJVQAEKQRRHEAN-CYBMUJFWSA-N 1 0 341.433 1.866 20 5 EDBDRO CC(C)N1C(=O)N[C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000345551638 535140868 /nfs/dbraw/zinc/14/08/68/535140868.db2.gz HRUVGKVAUZOZIK-HOTGVXAUSA-N 1 0 348.403 1.850 20 5 EDBDRO CC[NH2+]CC1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000237046864 535460141 /nfs/dbraw/zinc/46/01/41/535460141.db2.gz XWIAFPALWQIUKX-UHFFFAOYSA-N 1 0 341.433 1.746 20 5 EDBDRO CCOC1CC([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000271776085 535759927 /nfs/dbraw/zinc/75/99/27/535759927.db2.gz GBQYIMCQGXXXGP-UHFFFAOYSA-N 1 0 343.405 1.030 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000353776028 536476459 /nfs/dbraw/zinc/47/64/59/536476459.db2.gz JUXDQGOXQXMDAS-LLVKDONJSA-N 1 0 326.374 1.742 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@]2(C)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000353208102 536477195 /nfs/dbraw/zinc/47/71/95/536477195.db2.gz JSLUTDXLKFXFOL-BDJLRTHQSA-N 1 0 338.360 1.804 20 5 EDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2F)[N@H+](C)C1 ZINC000346700729 536778647 /nfs/dbraw/zinc/77/86/47/536778647.db2.gz QTFPGXVQBCESMW-KBPBESRZSA-N 1 0 339.367 1.454 20 5 EDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000743587915 579484663 /nfs/dbraw/zinc/48/46/63/579484663.db2.gz UFKJRBQVGDSUQI-CQSZACIVSA-N 1 0 336.392 1.027 20 5 EDBDRO C[N@H+](CCCNC(=O)C1CCC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000759998695 580021283 /nfs/dbraw/zinc/02/12/83/580021283.db2.gz IXRARTYBSYBURM-INIZCTEOSA-N 1 0 335.404 1.866 20 5 EDBDRO C[C@H](C(=O)OCCn1cc([N+](=O)[O-])ccc1=O)[NH+]1CCCCCC1 ZINC000761401855 580056733 /nfs/dbraw/zinc/05/67/33/580056733.db2.gz HXJQWEPNKSNHOU-CYBMUJFWSA-N 1 0 337.376 1.564 20 5 EDBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000751964038 579830844 /nfs/dbraw/zinc/83/08/44/579830844.db2.gz XFEYNENJTDAZJJ-INIZCTEOSA-N 1 0 336.392 1.212 20 5 EDBDRO CN(C(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000778268945 580460352 /nfs/dbraw/zinc/46/03/52/580460352.db2.gz JHYHHMAQJVFDLF-LLVKDONJSA-N 1 0 347.400 1.908 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000767066808 580180863 /nfs/dbraw/zinc/18/08/63/580180863.db2.gz UZQHZGFNLADKGU-UHFFFAOYSA-N 1 0 335.408 1.855 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@H](CCO)C1CC1 ZINC000771800688 580294435 /nfs/dbraw/zinc/29/44/35/580294435.db2.gz PIEGJZSXDDNZKX-CYBMUJFWSA-N 1 0 335.360 1.643 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781951644 580561165 /nfs/dbraw/zinc/56/11/65/580561165.db2.gz ZQUVLLRXKIRXNC-BZNIZROVSA-N 1 0 344.371 1.441 20 5 EDBDRO Cc1cc(N2CC[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3C)C2=O)n(C)n1 ZINC000790542694 580772671 /nfs/dbraw/zinc/77/26/71/580772671.db2.gz LLKZFXYLAVKUKZ-CQSZACIVSA-N 1 0 343.387 1.840 20 5 EDBDRO O=C(C[N@H+](CCO)CC1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796178702 580947372 /nfs/dbraw/zinc/94/73/72/580947372.db2.gz DLFHOUKSZLGXPH-UHFFFAOYSA-N 1 0 327.768 1.891 20 5 EDBDRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000798464590 580998326 /nfs/dbraw/zinc/99/83/26/580998326.db2.gz ROAXJNLHMVXHJU-UHFFFAOYSA-N 1 0 333.435 1.763 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@]2(CO)CCOc3ccccc32)cc1 ZINC000799337766 581025844 /nfs/dbraw/zinc/02/58/44/581025844.db2.gz PIOXIOCNRCIZJK-AEFFLSMTSA-N 1 0 344.367 1.888 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801880904 581087135 /nfs/dbraw/zinc/08/71/35/581087135.db2.gz YUEAHBTWLSQVAR-JTQLQIEISA-N 1 0 340.355 1.157 20 5 EDBDRO CN1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000888983931 590949437 /nfs/dbraw/zinc/94/94/37/590949437.db2.gz VFLLDJAUKSYEMW-UHFFFAOYSA-N 1 0 348.447 1.578 20 5 EDBDRO CNC(=O)CN1CCC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892560298 591072175 /nfs/dbraw/zinc/07/21/75/591072175.db2.gz FYNRADHZOKSPBA-UHFFFAOYSA-N 1 0 340.811 1.548 20 5 EDBDRO CC(=O)N1CCN(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892570085 591076392 /nfs/dbraw/zinc/07/63/92/591076392.db2.gz JNOYXSCYQKKKRF-UHFFFAOYSA-N 1 0 340.811 1.502 20 5 EDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(CCF)C1 ZINC000898485156 591371945 /nfs/dbraw/zinc/37/19/45/591371945.db2.gz BIUBRBAFGCCJCK-CYBMUJFWSA-N 1 0 338.383 1.947 20 5 EDBDRO Cc1ccc(CNC(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000896219685 591391931 /nfs/dbraw/zinc/39/19/31/591391931.db2.gz GOLZJPFKKICYQK-PBHICJAKSA-N 1 0 332.404 1.996 20 5 EDBDRO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC([NH+]2CCCC2)C1 ZINC000898605844 591434900 /nfs/dbraw/zinc/43/49/00/591434900.db2.gz HAYCYQLLQGLISK-INIZCTEOSA-N 1 0 344.371 1.394 20 5 EDBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H](C3OCCO3)C1)OCCO2 ZINC000896384761 591445806 /nfs/dbraw/zinc/44/58/06/591445806.db2.gz NQYFULVYFLLJAQ-NSHDSACASA-N 1 0 336.344 1.561 20 5 EDBDRO C[NH+](C)C[C@]1(O)CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000895009187 591520534 /nfs/dbraw/zinc/52/05/34/591520534.db2.gz UAUXFEGFXLLPAR-CQSZACIVSA-N 1 0 331.319 1.699 20 5 EDBDRO C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC000896557227 591522217 /nfs/dbraw/zinc/52/22/17/591522217.db2.gz SRGCJICJPCKEEQ-CZUORRHYSA-N 1 0 334.420 1.278 20 5 EDBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000898848188 591553972 /nfs/dbraw/zinc/55/39/72/591553972.db2.gz JNVHAXZRSZEWER-HUUCEWRRSA-N 1 0 333.388 1.963 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C2C[NH+]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000896853995 591635186 /nfs/dbraw/zinc/63/51/86/591635186.db2.gz SQKRTRDYSYPDJW-WFASDCNBSA-N 1 0 333.388 1.801 20 5 EDBDRO CS(=O)(=O)c1ccc(N2CCC[C@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000900452675 592021679 /nfs/dbraw/zinc/02/16/79/592021679.db2.gz WEEHVLDARGWGSM-CQSZACIVSA-N 1 0 325.390 1.331 20 5 EDBDRO C[C@H](c1ccccc1[N+](=O)[O-])n1cc(CNC2CC[NH+](C)CC2)nn1 ZINC000900534518 592049877 /nfs/dbraw/zinc/04/98/77/592049877.db2.gz GUZNLEXLNHUPHU-CYBMUJFWSA-N 1 0 344.419 1.979 20 5 EDBDRO CO[C@]1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCS(=O)(=O)C1 ZINC000903367754 592161242 /nfs/dbraw/zinc/16/12/42/592161242.db2.gz KJOLPXXFRRFYDT-WFASDCNBSA-N 1 0 342.417 1.758 20 5 EDBDRO CN(C(=O)CN[C@H]1CC[NH2+]C12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000903485244 592178184 /nfs/dbraw/zinc/17/81/84/592178184.db2.gz KYIIRRNJMJVBGM-HNNXBMFYSA-N 1 0 332.404 1.822 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000903593356 592237383 /nfs/dbraw/zinc/23/73/83/592237383.db2.gz ZJEKOODZLMCVBG-HNNXBMFYSA-N 1 0 339.417 1.674 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H](C[NH+](C)C)C1 ZINC000904436674 592256616 /nfs/dbraw/zinc/25/66/16/592256616.db2.gz KNUGAFWRPMKRDZ-CYBMUJFWSA-N 1 0 348.403 1.642 20 5 EDBDRO O=C(CCN1CCC[C@@]12CC[NH2+]C2)Nc1cc([N+](=O)[O-])ccc1F ZINC000903866905 592341993 /nfs/dbraw/zinc/34/19/93/592341993.db2.gz LPWKDLICKAVJGC-INIZCTEOSA-N 1 0 336.367 1.890 20 5 EDBDRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000901351001 592343765 /nfs/dbraw/zinc/34/37/65/592343765.db2.gz NMGLJZWSUCHORL-WFASDCNBSA-N 1 0 341.795 1.362 20 5 EDBDRO Nc1c(-c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)cccc1[N+](=O)[O-] ZINC000904932007 592350671 /nfs/dbraw/zinc/35/06/71/592350671.db2.gz RYOIZVRRDVOELR-JOYOIKCWSA-N 1 0 331.332 1.763 20 5 EDBDRO O=C(NCCC[NH2+]CC[N+](=O)[O-])c1ccc(Br)cc1 ZINC000905089557 592392823 /nfs/dbraw/zinc/39/28/23/592392823.db2.gz NWFKHZPWDKGRDS-UHFFFAOYSA-N 1 0 330.182 1.435 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc4c(c3[N+](=O)[O-])OCCCO4)[C@@H]2C1 ZINC000908346729 592454998 /nfs/dbraw/zinc/45/49/98/592454998.db2.gz HTYUNCMBMSSOML-DGCLKSJQSA-N 1 0 347.371 1.532 20 5 EDBDRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]CC[N+](=O)[O-])CC2(CCOCC2)C1 ZINC000905509797 592548426 /nfs/dbraw/zinc/54/84/26/592548426.db2.gz RBWWGDWXDLJOHW-CYBMUJFWSA-N 1 0 343.424 1.659 20 5 EDBDRO CO[C@@]1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCSC1 ZINC000905547258 592557033 /nfs/dbraw/zinc/55/70/33/592557033.db2.gz VHCAURMKIGYAOI-UKRRQHHQSA-N 1 0 342.417 1.446 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)c1 ZINC000905649156 592596209 /nfs/dbraw/zinc/59/62/09/592596209.db2.gz PEUHSDPQMPENPR-DJIMGWMZSA-N 1 0 336.388 1.882 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCCc3ccccc3C2)c1 ZINC000905655523 592597922 /nfs/dbraw/zinc/59/79/22/592597922.db2.gz NXABZAMJERXUQM-RDJZCZTQSA-N 1 0 330.388 1.689 20 5 EDBDRO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000909021730 592715203 /nfs/dbraw/zinc/71/52/03/592715203.db2.gz ZUTJXGVFEWOQBP-UHFFFAOYSA-N 1 0 349.435 1.847 20 5 EDBDRO CN(CCC[NH+](C)C)C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000906553548 592850273 /nfs/dbraw/zinc/85/02/73/592850273.db2.gz RCAHCOLLBSOEQZ-UHFFFAOYSA-N 1 0 346.391 1.258 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000911633586 592970762 /nfs/dbraw/zinc/97/07/62/592970762.db2.gz ITFOZTYCBUIUMG-GFCCVEGCSA-N 1 0 349.387 1.828 20 5 EDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000839606632 593348476 /nfs/dbraw/zinc/34/84/76/593348476.db2.gz QXDRMJSJPOYAMX-LTIDMASMSA-N 1 0 345.399 1.678 20 5 EDBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000809916325 593372333 /nfs/dbraw/zinc/37/23/33/593372333.db2.gz ZHHVCEMNNMISIK-CYBMUJFWSA-N 1 0 328.756 1.436 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]CC2Cc3ccccc3C2)cc1 ZINC000811479854 593471620 /nfs/dbraw/zinc/47/16/20/593471620.db2.gz NVXNHUXQCRSSFS-RTBURBONSA-N 1 0 342.395 1.994 20 5 EDBDRO Cc1nn(CCC(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000812327869 593497057 /nfs/dbraw/zinc/49/70/57/593497057.db2.gz VTYKHKWFVFGVKB-KGLIPLIRSA-N 1 0 335.408 1.208 20 5 EDBDRO C/C(=C\C(=O)NCCC[N@@H+](C)CCN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000813853642 593558407 /nfs/dbraw/zinc/55/84/07/593558407.db2.gz JBGJMWFWKVBXND-CCEZHUSRSA-N 1 0 348.447 1.998 20 5 EDBDRO Cc1c(C(=O)N2CC[NH2+]CC2(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818524379 593702530 /nfs/dbraw/zinc/70/25/30/593702530.db2.gz JLOFKBHHQAGARG-UHFFFAOYSA-N 1 0 336.348 1.944 20 5 EDBDRO CC1(O)CCC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819132304 593740561 /nfs/dbraw/zinc/74/05/61/593740561.db2.gz AJBRPECWHBKQEO-UHFFFAOYSA-N 1 0 342.417 1.652 20 5 EDBDRO CC(C)n1cc2c(n1)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000819218565 593744869 /nfs/dbraw/zinc/74/48/69/593744869.db2.gz PXOUAYLAIUXGGQ-HUUCEWRRSA-N 1 0 348.407 1.597 20 5 EDBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000819230383 593745837 /nfs/dbraw/zinc/74/58/37/593745837.db2.gz VCVYHDJLFHMLQP-MWDXBVQZSA-N 1 0 336.388 1.944 20 5 EDBDRO CN(C[C@@H](O)CN1CCOCC1)c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000820677076 593860555 /nfs/dbraw/zinc/86/05/55/593860555.db2.gz TZNJGAMFBCKNOF-GFCCVEGCSA-N 1 0 345.346 1.662 20 5 EDBDRO C[NH+](C)CCn1ccc(NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000823961560 593895256 /nfs/dbraw/zinc/89/52/56/593895256.db2.gz HAXVZWNWHYXYAC-UHFFFAOYSA-N 1 0 333.352 1.579 20 5 EDBDRO Cc1ccc(-c2noc(-c3cn(CCC[NH3+])nn3)n2)cc1[N+](=O)[O-] ZINC000822722726 594091410 /nfs/dbraw/zinc/09/14/10/594091410.db2.gz KJQAWMWZJHMTHY-UHFFFAOYSA-N 1 0 329.320 1.561 20 5 EDBDRO COc1cc(Cc2noc(CC[C@@H](C)[NH3+])n2)c([N+](=O)[O-])c(OC)c1 ZINC000823147004 594160017 /nfs/dbraw/zinc/16/00/17/594160017.db2.gz SPFCICPNFIOKMU-SECBINFHSA-N 1 0 336.348 1.866 20 5 EDBDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000823193590 594167813 /nfs/dbraw/zinc/16/78/13/594167813.db2.gz UOWZMHSGEWJSKZ-IXDOHACOSA-N 1 0 347.415 1.661 20 5 EDBDRO C[C@H]([NH3+])CCc1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000823258852 594177143 /nfs/dbraw/zinc/17/71/43/594177143.db2.gz IUXUXMRFDLAVSE-VIFPVBQESA-N 1 0 329.320 1.505 20 5 EDBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000825453682 594187493 /nfs/dbraw/zinc/18/74/93/594187493.db2.gz WMBVVIXRBMXRLJ-WDEREUQCSA-N 1 0 331.380 1.694 20 5 EDBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1C ZINC000825453672 594187532 /nfs/dbraw/zinc/18/75/32/594187532.db2.gz WMBVVIXRBMXRLJ-GHMZBOCLSA-N 1 0 331.380 1.694 20 5 EDBDRO C[NH+](C)CCC1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825891781 594270476 /nfs/dbraw/zinc/27/04/76/594270476.db2.gz SLAULLIZWRHOKB-MRXNPFEDSA-N 1 0 335.404 1.819 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2F)CCOCC1 ZINC000827762464 594274169 /nfs/dbraw/zinc/27/41/69/594274169.db2.gz KMWRFVPUNLGQBG-UHFFFAOYSA-N 1 0 325.340 1.575 20 5 EDBDRO CN(C)c1cc(F)c(C(=O)NCC[NH2+]C(C)(C)C)cc1[N+](=O)[O-] ZINC000825984642 594297562 /nfs/dbraw/zinc/29/75/62/594297562.db2.gz GIFFNBXTLYRZTG-UHFFFAOYSA-N 1 0 326.372 1.918 20 5 EDBDRO C[NH+]1CCC2(CCCN2C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000828249085 594374593 /nfs/dbraw/zinc/37/45/93/594374593.db2.gz VWACVSUWBKKWQH-HNNXBMFYSA-N 1 0 333.388 1.715 20 5 EDBDRO O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000830429101 594394452 /nfs/dbraw/zinc/39/44/52/594394452.db2.gz YNXZVPXNTFXMAX-UHFFFAOYSA-N 1 0 338.751 1.422 20 5 EDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000826677514 594553218 /nfs/dbraw/zinc/55/32/18/594553218.db2.gz NAQCERAYHPWCBO-JTQLQIEISA-N 1 0 349.416 1.761 20 5 EDBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831416058 594626641 /nfs/dbraw/zinc/62/66/41/594626641.db2.gz KHFOJWYASHXERO-CABCVRRESA-N 1 0 335.404 1.865 20 5 EDBDRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000829572890 594643195 /nfs/dbraw/zinc/64/31/95/594643195.db2.gz BAWFZDLPWXLLJT-UHFFFAOYSA-N 1 0 338.412 1.013 20 5 EDBDRO CC(C)(CCC(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1)[N+](=O)[O-] ZINC000827131325 594645414 /nfs/dbraw/zinc/64/54/14/594645414.db2.gz NUABADPAVULERB-AWEZNQCLSA-N 1 0 327.425 1.535 20 5 EDBDRO CCO[C@H](CNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000831707492 594694594 /nfs/dbraw/zinc/69/45/94/594694594.db2.gz GHRIZFKBTVCVOO-LLVKDONJSA-N 1 0 327.356 1.739 20 5 EDBDRO CCO[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000831719383 594695953 /nfs/dbraw/zinc/69/59/53/594695953.db2.gz RLBXLZZNOVAZBC-ZDUSSCGKSA-N 1 0 337.420 1.955 20 5 EDBDRO CC[NH+](CC)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])c(F)c1F ZINC000832117296 594727551 /nfs/dbraw/zinc/72/75/51/594727551.db2.gz VVXNUNASPIUWJE-UHFFFAOYSA-N 1 0 338.332 1.923 20 5 EDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832400672 594747739 /nfs/dbraw/zinc/74/77/39/594747739.db2.gz MPMYTRKKUMGDQN-WQVCFCJDSA-N 1 0 333.388 1.713 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000841453819 594902157 /nfs/dbraw/zinc/90/21/57/594902157.db2.gz VZCNHJQTKIYJCQ-UHFFFAOYSA-N 1 0 348.403 1.255 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000842011616 595002467 /nfs/dbraw/zinc/00/24/67/595002467.db2.gz VDUWCWZBWQJLIK-KGLIPLIRSA-N 1 0 347.419 1.554 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)C[C@@H]21 ZINC000834310236 595090243 /nfs/dbraw/zinc/09/02/43/595090243.db2.gz IOWHVVZHKYIRNM-XFBWCDHKSA-N 1 0 344.371 1.250 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000843503719 595133825 /nfs/dbraw/zinc/13/38/25/595133825.db2.gz LTYGBTSYIWSXHQ-NSHDSACASA-N 1 0 337.351 1.904 20 5 EDBDRO CS(=O)(=O)c1cc(C(=O)NCCCCCC[NH3+])cc([N+](=O)[O-])c1 ZINC000843510552 595137449 /nfs/dbraw/zinc/13/74/49/595137449.db2.gz RPOKVRQPIKCSQI-UHFFFAOYSA-N 1 0 343.405 1.247 20 5 EDBDRO Cc1c(C(=O)N2CCC3(C[NH+](C)C3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000834525804 595154755 /nfs/dbraw/zinc/15/47/55/595154755.db2.gz BYLADILCHOQRFU-UHFFFAOYSA-N 1 0 334.332 1.589 20 5 EDBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000834564284 595163969 /nfs/dbraw/zinc/16/39/69/595163969.db2.gz IZLAYDCYVVCQQT-OAHLLOKOSA-N 1 0 325.340 1.263 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000842765806 595192360 /nfs/dbraw/zinc/19/23/60/595192360.db2.gz VEGYBWMQLODPPQ-VHSXEESVSA-N 1 0 347.824 1.928 20 5 EDBDRO [NH3+]CC[C@H]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000834703535 595194916 /nfs/dbraw/zinc/19/49/16/595194916.db2.gz MUNCQYIWZFLRFK-GFCCVEGCSA-N 1 0 331.376 1.532 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CC2(CC([NH3+])C2)C1 ZINC000842795364 595201627 /nfs/dbraw/zinc/20/16/27/595201627.db2.gz NXPDYJQRCPOBHL-UHFFFAOYSA-N 1 0 325.390 1.451 20 5 EDBDRO Cn1cnc(CCC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000842899305 595229598 /nfs/dbraw/zinc/22/95/98/595229598.db2.gz RCRSCEIXPJYGLA-UHFFFAOYSA-N 1 0 344.419 1.915 20 5 EDBDRO Cc1ccc([C@H](O)C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000843088810 595284685 /nfs/dbraw/zinc/28/46/85/595284685.db2.gz QBQSGRDEBVVHBB-TZMCWYRMSA-N 1 0 336.344 1.559 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(Cn3cnnc3)CC2)cc1 ZINC000844412372 595340380 /nfs/dbraw/zinc/34/03/80/595340380.db2.gz TYUPOVZNYVLLEX-INIZCTEOSA-N 1 0 331.376 1.632 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000846942113 595341040 /nfs/dbraw/zinc/34/10/40/595341040.db2.gz ZEJIREZMEISTFW-IRXDYDNUSA-N 1 0 335.404 1.425 20 5 EDBDRO CCC(C)(C)[NH+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000848300458 595356775 /nfs/dbraw/zinc/35/67/75/595356775.db2.gz LDYKHKFRCORRHZ-OAHLLOKOSA-N 1 0 335.404 1.961 20 5 EDBDRO CNC(=O)CCC[N@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848482076 595390702 /nfs/dbraw/zinc/39/07/02/595390702.db2.gz HLFVZFMERWPGHH-UHFFFAOYSA-N 1 0 331.376 1.874 20 5 EDBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc([N+](=O)[O-])ccc1F)CCO2 ZINC000855010082 595565315 /nfs/dbraw/zinc/56/53/15/595565315.db2.gz JJILJQYWHAHAQL-UHFFFAOYSA-N 1 0 337.351 1.671 20 5 EDBDRO O=C(C=C1CC[NH2+]CC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000852871503 595590029 /nfs/dbraw/zinc/59/00/29/595590029.db2.gz QAXVGDORYQQCOO-CYBMUJFWSA-N 1 0 331.376 1.312 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765356 595599808 /nfs/dbraw/zinc/59/98/08/595599808.db2.gz FUKNVDNXLLSSKG-CABZTGNLSA-N 1 0 329.303 1.823 20 5 EDBDRO C[NH+](C)C[C@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000853215958 595707148 /nfs/dbraw/zinc/70/71/48/595707148.db2.gz VYBNZPZAVNPBDD-FXAINCCUSA-N 1 0 332.278 1.915 20 5 EDBDRO COc1cc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])cc1C ZINC000853266651 595723105 /nfs/dbraw/zinc/72/31/05/595723105.db2.gz MJRNWCYNOKMVSA-CZUORRHYSA-N 1 0 335.404 1.947 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)cc([N+](=O)[O-])c1F ZINC000858619305 595846586 /nfs/dbraw/zinc/84/65/86/595846586.db2.gz MRNJLWILKGUJEK-GFCCVEGCSA-N 1 0 343.380 1.605 20 5 EDBDRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000861343435 595950281 /nfs/dbraw/zinc/95/02/81/595950281.db2.gz HZCMSAHPAULXSE-GDBMZVCRSA-N 1 0 338.360 1.626 20 5 EDBDRO C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[NH2+]1 ZINC000861525181 596014769 /nfs/dbraw/zinc/01/47/69/596014769.db2.gz QQIIDEJGDVYATQ-DTWKUNHWSA-N 1 0 340.767 1.443 20 5 EDBDRO Nc1n[nH]c(C2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000852055597 596025667 /nfs/dbraw/zinc/02/56/67/596025667.db2.gz BHWYMZZDVOBYAM-CYBMUJFWSA-N 1 0 332.364 1.208 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000854352484 596047262 /nfs/dbraw/zinc/04/72/62/596047262.db2.gz DJISIRHBTJMBMP-WKOYGUFESA-N 1 0 344.415 1.504 20 5 EDBDRO C[C@@H]1CC[C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[NH2+]1 ZINC000861685860 596068088 /nfs/dbraw/zinc/06/80/88/596068088.db2.gz RPBOJRLXCQWHCY-ZIAGYGMSSA-N 1 0 347.419 1.567 20 5 EDBDRO COCC[N@H+]1[C@H](C)CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000121149341 596268321 /nfs/dbraw/zinc/26/83/21/596268321.db2.gz YRBRNHOCHRBGAW-OKILXGFUSA-N 1 0 335.404 1.705 20 5 EDBDRO CCc1ccc(OS(=O)(=O)CC2([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000866797664 596352168 /nfs/dbraw/zinc/35/21/68/596352168.db2.gz VJRSXROSZLAWPV-UHFFFAOYSA-N 1 0 328.390 1.960 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+]CCC2(C)C)ccc1[N+](=O)[O-] ZINC000866803758 596355372 /nfs/dbraw/zinc/35/53/72/596355372.db2.gz JEJCNKKBYXNECA-UHFFFAOYSA-N 1 0 327.406 1.666 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000866820453 596364265 /nfs/dbraw/zinc/36/42/65/596364265.db2.gz RRTKKHWYGKXDDV-PWSUYJOCSA-N 1 0 343.380 1.497 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866830165 596370046 /nfs/dbraw/zinc/37/00/46/596370046.db2.gz BMSMYJVKIOTLEL-GHMZBOCLSA-N 1 0 345.808 1.763 20 5 EDBDRO C[C@](N)(C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000870892286 596392418 /nfs/dbraw/zinc/39/24/18/596392418.db2.gz SGJOKYZVZLMCQV-KBXCAEBGSA-N 1 0 346.431 1.713 20 5 EDBDRO Cc1nn(C)c(C(=O)NCCC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000870958796 596418738 /nfs/dbraw/zinc/41/87/38/596418738.db2.gz LGGDCDLTHARXDN-UHFFFAOYSA-N 1 0 337.424 1.877 20 5 EDBDRO Cc1ccc(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000867571785 596436980 /nfs/dbraw/zinc/43/69/80/596436980.db2.gz LWRUEDDWZTWBJH-UHFFFAOYSA-N 1 0 348.403 1.072 20 5 EDBDRO C[N@@H+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCC1(C)C ZINC000867681307 596493947 /nfs/dbraw/zinc/49/39/47/596493947.db2.gz CHVIJTSHVITIOF-UHFFFAOYSA-N 1 0 341.433 1.841 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000867808688 596561275 /nfs/dbraw/zinc/56/12/75/596561275.db2.gz OCCBJTSKTMBVLR-NEPJUHHUSA-N 1 0 325.390 1.310 20 5 EDBDRO O=[N+]([O-])c1cc(CO)c(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1F ZINC000865484759 596588203 /nfs/dbraw/zinc/58/82/03/596588203.db2.gz IPUSCPLUPPKLCP-VXGBXAGGSA-N 1 0 325.340 1.501 20 5 EDBDRO CN(CCOCC[NH3+])CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000863554500 596617084 /nfs/dbraw/zinc/61/70/84/596617084.db2.gz AKKCKJXXNCXVOL-UHFFFAOYSA-N 1 0 330.772 1.094 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000868081358 596679073 /nfs/dbraw/zinc/67/90/73/596679073.db2.gz UQWSANSQPCOGGJ-KGLIPLIRSA-N 1 0 348.403 1.839 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865811575 596693162 /nfs/dbraw/zinc/69/31/62/596693162.db2.gz DKCSIRWYSRAXSE-UHFFFAOYSA-N 1 0 328.388 1.522 20 5 EDBDRO CC[NH+]1CCC(NS(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CC1 ZINC000866478698 596891846 /nfs/dbraw/zinc/89/18/46/596891846.db2.gz LOIUTJMUBJLNMS-UHFFFAOYSA-N 1 0 345.396 1.805 20 5 EDBDRO COc1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000124912775 596983452 /nfs/dbraw/zinc/98/34/52/596983452.db2.gz PGQKTHGPEPCNGM-NXEZZACHSA-N 1 0 329.378 1.152 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000874253607 596987816 /nfs/dbraw/zinc/98/78/16/596987816.db2.gz SXUKDTALYHHWQW-UONOGXRCSA-N 1 0 333.388 1.805 20 5 EDBDRO Cc1c(C[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000873035501 597166806 /nfs/dbraw/zinc/16/68/06/597166806.db2.gz LJKQIVVCXRPHFY-KRWDZBQOSA-N 1 0 348.447 1.936 20 5 EDBDRO O=[N+]([O-])c1ccc2oc(CNC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)nc2c1 ZINC000877021415 597414120 /nfs/dbraw/zinc/41/41/20/597414120.db2.gz BAWXCLDFPMPVNT-QWHCGFSZSA-N 1 0 332.360 1.689 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCN(c4ccccn4)C3)C2)c1 ZINC000877119849 597437113 /nfs/dbraw/zinc/43/71/13/597437113.db2.gz BBNSQQXQZUIUJR-IYXRBSQSSA-N 1 0 328.376 1.758 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000877365219 597502212 /nfs/dbraw/zinc/50/22/12/597502212.db2.gz CZLBYCIJTDSNFJ-LDYMZIIASA-N 1 0 347.293 1.813 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000877365217 597502230 /nfs/dbraw/zinc/50/22/30/597502230.db2.gz CZLBYCIJTDSNFJ-KCJUWKMLSA-N 1 0 347.293 1.813 20 5 EDBDRO Cc1ccc(C[C@@H](CO)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000877465310 597520073 /nfs/dbraw/zinc/52/00/73/597520073.db2.gz RKLSITBGLWSNGJ-PCKAHOCUSA-N 1 0 330.388 1.996 20 5 EDBDRO COc1ccc(CN2CCC([NH+]3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000877747383 597552873 /nfs/dbraw/zinc/55/28/73/597552873.db2.gz JHVMPOOYRUIFAB-UHFFFAOYSA-N 1 0 348.447 1.815 20 5 EDBDRO C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000881633410 597665905 /nfs/dbraw/zinc/66/59/05/597665905.db2.gz WNUXHMFVLDOVKC-NSHDSACASA-N 1 0 330.348 1.074 20 5 EDBDRO CCN1CC[C@H]1C[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000883360048 597724784 /nfs/dbraw/zinc/72/47/84/597724784.db2.gz SRKJPJSUSNGROA-ZDUSSCGKSA-N 1 0 337.376 1.330 20 5 EDBDRO COc1ccc(OCCN(CC[NH3+])CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000883445330 597749811 /nfs/dbraw/zinc/74/98/11/597749811.db2.gz USAXOTNQJHNQEG-UHFFFAOYSA-N 1 0 337.298 1.805 20 5 EDBDRO COc1ccc([C@@H]2C[NH2+]CCN2Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000883452174 597752773 /nfs/dbraw/zinc/75/27/73/597752773.db2.gz JQUIWCGBMBYIEN-HNNXBMFYSA-N 1 0 331.376 1.483 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H](n3ccnn3)CC2)cc1 ZINC000878941017 597761712 /nfs/dbraw/zinc/76/17/12/597761712.db2.gz JLFMYKGXDQXUGW-HOCLYGCPSA-N 1 0 331.376 1.947 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000916663636 696715349 /nfs/dbraw/zinc/71/53/49/696715349.db2.gz JWZZIXDIGGIMMT-OCCSQVGLSA-N 1 0 339.417 1.308 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000917908818 697105421 /nfs/dbraw/zinc/10/54/21/697105421.db2.gz HKVHYMVMIASXAU-NEPJUHHUSA-N 1 0 325.390 1.500 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(C)CCN(C(=O)C(C)(C)C)CC1 ZINC000940436122 700629577 /nfs/dbraw/zinc/62/95/77/700629577.db2.gz FCJUDWKPUQLZMF-UHFFFAOYSA-N 1 0 337.424 1.845 20 5 EDBDRO CC(C)n1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000996439853 702769260 /nfs/dbraw/zinc/76/92/60/702769260.db2.gz GISPAXOOTKBTEP-HUUCEWRRSA-N 1 0 335.408 1.210 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000996429684 702783629 /nfs/dbraw/zinc/78/36/29/702783629.db2.gz SOGZRFXAKUBBFN-NVXWUHKLSA-N 1 0 342.399 1.914 20 5 EDBDRO CO[C@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCS(=O)(=O)C1 ZINC000922618572 704153514 /nfs/dbraw/zinc/15/35/14/704153514.db2.gz NQAAOBHGMPIKDN-AWEZNQCLSA-N 1 0 328.390 1.197 20 5 EDBDRO Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)o1 ZINC001034643998 710319992 /nfs/dbraw/zinc/31/99/92/710319992.db2.gz AVNGNCMDXZDFQY-RGCMKSIDSA-N 1 0 336.392 1.474 20 5 EDBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1nnc[nH]1 ZINC001034756855 711009081 /nfs/dbraw/zinc/00/90/81/711009081.db2.gz DUSIXFLPSKJWOR-JOCQHMNTSA-N 1 0 344.375 1.544 20 5 EDBDRO CC(C)[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[NH+]1CCC(C)CC1 ZINC000052822662 214148174 /nfs/dbraw/zinc/14/81/74/214148174.db2.gz OXNQMHWKIFQNEQ-CQSZACIVSA-N 1 0 337.424 1.664 20 5 EDBDRO C[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000151220136 529978229 /nfs/dbraw/zinc/97/82/29/529978229.db2.gz RDEYGYBVKCFLGM-UHFFFAOYSA-N 1 0 349.128 1.149 20 5 EDBDRO CN(CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000361813967 282339893 /nfs/dbraw/zinc/33/98/93/282339893.db2.gz LHJQIVQFQJZYSP-CQSZACIVSA-N 1 0 332.404 1.726 20 5 EDBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000236746864 535035644 /nfs/dbraw/zinc/03/56/44/535035644.db2.gz SWYDUIPARRCZEY-SNVBAGLBSA-N 1 0 331.394 1.399 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CC[NH+]1CCCC1 ZINC000103120315 219257722 /nfs/dbraw/zinc/25/77/22/219257722.db2.gz SSDYMVGGOALIKF-ZDUSSCGKSA-N 1 0 348.403 1.267 20 5 EDBDRO CC[N@H+](CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CC1 ZINC000103955812 219331990 /nfs/dbraw/zinc/33/19/90/219331990.db2.gz FTIVRADUJWPEHI-UHFFFAOYSA-N 1 0 344.375 1.390 20 5 EDBDRO CC[NH+](CC)[C@@H](C)CNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000069128654 215361339 /nfs/dbraw/zinc/36/13/39/215361339.db2.gz PXCYAZNMZUHNSK-LBPRGKRZSA-N 1 0 339.392 1.829 20 5 EDBDRO C[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)[C@H]1c1ccccc1 ZINC000246000277 283055326 /nfs/dbraw/zinc/05/53/26/283055326.db2.gz YCQKUUWEULTMGZ-HUUCEWRRSA-N 1 0 342.355 1.871 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@H]2CC[N@H+](CC)C2)cc([N+](=O)[O-])c1 ZINC000412854757 304042465 /nfs/dbraw/zinc/04/24/65/304042465.db2.gz VJIVDRLAORLSSZ-ZDUSSCGKSA-N 1 0 335.360 1.596 20 5 EDBDRO C[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000184404319 235389140 /nfs/dbraw/zinc/38/91/40/235389140.db2.gz QBXVAUZEPZFSFK-LLVKDONJSA-N 1 0 327.406 1.497 20 5 EDBDRO Cc1c(F)cc(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000184705439 235470600 /nfs/dbraw/zinc/47/06/00/235470600.db2.gz ZGJCZTLCERJVRG-NSHDSACASA-N 1 0 345.396 1.615 20 5 EDBDRO CC[NH+]1CCN(CCCNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000068277472 138193947 /nfs/dbraw/zinc/19/39/47/138193947.db2.gz LZRFRUUADXAJCC-UHFFFAOYSA-N 1 0 349.435 1.151 20 5 EDBDRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000071312708 215757440 /nfs/dbraw/zinc/75/74/40/215757440.db2.gz HDMYTJPKCJWALU-SNVBAGLBSA-N 1 0 333.797 1.621 20 5 EDBDRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171628803 138658918 /nfs/dbraw/zinc/65/89/18/138658918.db2.gz KYMXDVYIUKOKMT-LLVKDONJSA-N 1 0 327.406 1.484 20 5 EDBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000178929717 138747877 /nfs/dbraw/zinc/74/78/77/138747877.db2.gz BFLVWFMODAYZGQ-JTQLQIEISA-N 1 0 331.369 1.497 20 5 EDBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564849226 306367339 /nfs/dbraw/zinc/36/73/39/306367339.db2.gz JUFSXDHWZDUUPZ-VMGRFDJRSA-N 1 0 335.404 1.407 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000566538989 306418457 /nfs/dbraw/zinc/41/84/57/306418457.db2.gz PQPQVAOFHCFJAA-LLVKDONJSA-N 1 0 328.394 1.095 20 5 EDBDRO CSCC[C@H]([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000199160463 139020406 /nfs/dbraw/zinc/02/04/06/139020406.db2.gz CZDAVCOJNFBMKS-AWEZNQCLSA-N 1 0 338.433 1.324 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000078760467 217114337 /nfs/dbraw/zinc/11/43/37/217114337.db2.gz DROXNBYAGITHAY-CQSZACIVSA-N 1 0 341.433 1.872 20 5 EDBDRO COc1cc(S(=O)(=O)N[C@H](C[NH3+])CC(C)C)ccc1[N+](=O)[O-] ZINC000237087996 139040365 /nfs/dbraw/zinc/04/03/65/139040365.db2.gz KXFDRVYDSHPXCO-JTQLQIEISA-N 1 0 331.394 1.255 20 5 EDBDRO CNC(=O)CN1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000237129933 139041517 /nfs/dbraw/zinc/04/15/17/139041517.db2.gz LMVVWPYIGITFSH-UHFFFAOYSA-N 1 0 340.811 1.548 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000237208440 139044325 /nfs/dbraw/zinc/04/43/25/139044325.db2.gz SSHAFDDESCCCMA-NSHDSACASA-N 1 0 343.405 1.224 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C[NH2+]1 ZINC000237579730 139054616 /nfs/dbraw/zinc/05/46/16/139054616.db2.gz NXAMPINFDKSMHH-RYUDHWBXSA-N 1 0 329.360 1.603 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(C[NH3+])CC2)cc1C ZINC000237666223 139057461 /nfs/dbraw/zinc/05/74/61/139057461.db2.gz ASZRJPMKNVBEDM-UHFFFAOYSA-N 1 0 327.406 1.571 20 5 EDBDRO CN(CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000246574853 139113475 /nfs/dbraw/zinc/11/34/75/139113475.db2.gz HXTCQUJBWPJVOP-GJZGRUSLSA-N 1 0 346.431 1.974 20 5 EDBDRO CN(C(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000246847160 139124013 /nfs/dbraw/zinc/12/40/13/139124013.db2.gz KQCFQMISLQHMMH-WMLDXEAASA-N 1 0 346.431 1.974 20 5 EDBDRO CC[C@@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000246911755 139126688 /nfs/dbraw/zinc/12/66/88/139126688.db2.gz QFPNZHSFBGXZIB-DZGCQCFKSA-N 1 0 335.404 1.820 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266669884 284665783 /nfs/dbraw/zinc/66/57/83/284665783.db2.gz VDBLCPYLXHNHCU-UHFFFAOYSA-N 1 0 336.392 1.640 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[NH+]2CCCC2)c1C ZINC000012141052 211303745 /nfs/dbraw/zinc/30/37/45/211303745.db2.gz ADBYQTNFTGGVKU-UHFFFAOYSA-N 1 0 327.406 1.586 20 5 EDBDRO C[C@H](C[S@@](C)=O)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000248489735 139166045 /nfs/dbraw/zinc/16/60/45/139166045.db2.gz NCOIETUKSPPLLL-WBVVSNMSSA-N 1 0 330.406 1.033 20 5 EDBDRO O=C(NC1CC1)[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249740548 139197895 /nfs/dbraw/zinc/19/78/95/139197895.db2.gz IMOQSPYTRCWAAB-HOCLYGCPSA-N 1 0 349.387 1.078 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000261716836 139220061 /nfs/dbraw/zinc/22/00/61/139220061.db2.gz QEVRFVDYVUDAGT-MNOVXSKESA-N 1 0 337.376 1.669 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261808415 139227752 /nfs/dbraw/zinc/22/77/52/139227752.db2.gz GDXUFFQKMPETFB-YUTCNCBUSA-N 1 0 339.417 1.651 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]C[C@@H]1c1nccn1C ZINC000261836330 139230221 /nfs/dbraw/zinc/23/02/21/139230221.db2.gz WDCUILVZRRZXNY-CQSZACIVSA-N 1 0 331.376 1.483 20 5 EDBDRO C[C@H](C[NH3+])C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000262016803 139244072 /nfs/dbraw/zinc/24/40/72/139244072.db2.gz COJLRWVGUKJLKP-MRVPVSSYSA-N 1 0 334.298 1.737 20 5 EDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415419986 250919138 /nfs/dbraw/zinc/91/91/38/250919138.db2.gz AHVNHOQJZPLLOH-VIFPVBQESA-N 1 0 342.783 1.676 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000415423101 250923669 /nfs/dbraw/zinc/92/36/69/250923669.db2.gz FYPYUYWSUBBYGH-CQSZACIVSA-N 1 0 348.403 1.866 20 5 EDBDRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415762620 251020805 /nfs/dbraw/zinc/02/08/05/251020805.db2.gz PONNKRCJROKGCG-UHFFFAOYSA-N 1 0 342.783 1.820 20 5 EDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417766884 251260726 /nfs/dbraw/zinc/26/07/26/251260726.db2.gz PRLVDZPQAJSORD-KKNUOHPOSA-N 1 0 332.404 1.952 20 5 EDBDRO CCC([NH3+])(CC)CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000418425684 251366487 /nfs/dbraw/zinc/36/64/87/251366487.db2.gz KBNQTSKNGVERRG-UHFFFAOYSA-N 1 0 338.412 1.655 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000262536145 139284870 /nfs/dbraw/zinc/28/48/70/139284870.db2.gz OONXVFHNDRHCNX-UWVGGRQHSA-N 1 0 327.768 1.823 20 5 EDBDRO C[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1C[NH2+]C1 ZINC000262591951 139288896 /nfs/dbraw/zinc/28/88/96/139288896.db2.gz WJPAVCXTISNNNX-GFCCVEGCSA-N 1 0 333.388 1.820 20 5 EDBDRO CC[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000419154880 251487688 /nfs/dbraw/zinc/48/76/88/251487688.db2.gz AKMDEICEFGEREU-IUODEOHRSA-N 1 0 348.403 1.278 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415584723 304232820 /nfs/dbraw/zinc/23/28/20/304232820.db2.gz AONXAQXHTFKONY-KRWDZBQOSA-N 1 0 346.387 1.362 20 5 EDBDRO [NH3+]C[C@@H]1CCN(c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)C1 ZINC000420175800 251631625 /nfs/dbraw/zinc/63/16/25/251631625.db2.gz VVTGFQXNGSVVFT-JTQLQIEISA-N 1 0 349.778 1.579 20 5 EDBDRO C[C@H]1C[C@H](C[NH3+])CN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000420222228 251648825 /nfs/dbraw/zinc/64/88/25/251648825.db2.gz WBQMBDSNWVTRPD-NWDGAFQWSA-N 1 0 343.387 1.733 20 5 EDBDRO C[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[NH2+]1 ZINC000420304045 251669254 /nfs/dbraw/zinc/66/92/54/251669254.db2.gz XUZPFPQRGJLSID-UWVGGRQHSA-N 1 0 326.784 1.869 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000262812765 139305513 /nfs/dbraw/zinc/30/55/13/139305513.db2.gz YMCVLJBRGLUHSJ-ZJUUUORDSA-N 1 0 347.824 1.833 20 5 EDBDRO NC(=O)C1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCOCC1 ZINC000153108437 224058625 /nfs/dbraw/zinc/05/86/25/224058625.db2.gz MKFXWENVSKOXQW-HNNXBMFYSA-N 1 0 347.415 1.788 20 5 EDBDRO O=C(COC1CC[NH2+]CC1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423858003 252094618 /nfs/dbraw/zinc/09/46/18/252094618.db2.gz ZPSTWKVZEDDGHX-UHFFFAOYSA-N 1 0 327.768 1.633 20 5 EDBDRO CN1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000424326006 252196449 /nfs/dbraw/zinc/19/64/49/252196449.db2.gz MYWPYDHVMIFOSL-BFHYXJOUSA-N 1 0 335.408 1.733 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415651845 304248141 /nfs/dbraw/zinc/24/81/41/304248141.db2.gz CQSBCMGDJHMTSY-ZYHUDNBSSA-N 1 0 334.376 1.407 20 5 EDBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261594073 285083741 /nfs/dbraw/zinc/08/37/41/285083741.db2.gz NHUWPYYDFMSMFR-SCZZXKLOSA-N 1 0 327.182 1.941 20 5 EDBDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000112549507 220346462 /nfs/dbraw/zinc/34/64/62/220346462.db2.gz JPTJOQXFWUCXHC-GWCFXTLKSA-N 1 0 344.375 1.426 20 5 EDBDRO CC[NH+]1CCN(CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000112917926 220420544 /nfs/dbraw/zinc/42/05/44/220420544.db2.gz UYNQKLDNJWFPMV-VMPITWQZSA-N 1 0 332.404 1.362 20 5 EDBDRO CC[NH+](CC)CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000427922862 254505026 /nfs/dbraw/zinc/50/50/26/254505026.db2.gz LOYXSPUSBKZXIE-UHFFFAOYSA-N 1 0 346.387 1.980 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415754874 304265816 /nfs/dbraw/zinc/26/58/16/304265816.db2.gz ZZNGIPMYTRTRIV-QWHCGFSZSA-N 1 0 346.387 1.218 20 5 EDBDRO Cc1nn(CCC(=O)NCC(C)(C)C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000263706837 139354349 /nfs/dbraw/zinc/35/43/49/139354349.db2.gz VIRBNACTNXHQLH-UHFFFAOYSA-N 1 0 325.413 1.502 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415779353 304268789 /nfs/dbraw/zinc/26/87/89/304268789.db2.gz KVXNQHDOLBLFPO-TZMCWYRMSA-N 1 0 346.387 1.306 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000488810263 255055623 /nfs/dbraw/zinc/05/56/23/255055623.db2.gz VOEDVWAETQQUMG-NWDGAFQWSA-N 1 0 337.376 1.635 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000495135363 255269811 /nfs/dbraw/zinc/26/98/11/255269811.db2.gz GDDWMNRSAFXHDW-CYBMUJFWSA-N 1 0 336.396 1.232 20 5 EDBDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)C1 ZINC000495487067 255288894 /nfs/dbraw/zinc/28/88/94/255288894.db2.gz LOZJJKIQAWLBLS-STQMWFEESA-N 1 0 339.396 1.638 20 5 EDBDRO Cc1nn(CCC(=O)NCC[N@H+]2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000263989281 139374156 /nfs/dbraw/zinc/37/41/56/139374156.db2.gz NESZUVJRCCYOPQ-GFCCVEGCSA-N 1 0 337.424 1.646 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(C)c1[N+](=O)[O-] ZINC000154521551 224265296 /nfs/dbraw/zinc/26/52/96/224265296.db2.gz BAPLLXHYPFMJMA-HUUCEWRRSA-N 1 0 349.435 1.741 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[NH+](CC(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000264005254 139375276 /nfs/dbraw/zinc/37/52/76/139375276.db2.gz SLVHLQXTRLZZPC-UHFFFAOYSA-N 1 0 337.424 1.598 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000187162616 533222915 /nfs/dbraw/zinc/22/29/15/533222915.db2.gz PQUHVAKRTONAOL-NSHDSACASA-N 1 0 342.417 1.906 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000265136177 139456296 /nfs/dbraw/zinc/45/62/96/139456296.db2.gz OTAFXFLSOXJFTN-UHFFFAOYSA-N 1 0 348.403 1.712 20 5 EDBDRO [NH3+]CC[C@@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C(F)F ZINC000571420411 306565569 /nfs/dbraw/zinc/56/55/69/306565569.db2.gz JLFKCKPSSBVYMJ-LLVKDONJSA-N 1 0 328.319 1.645 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000416289130 304303422 /nfs/dbraw/zinc/30/34/22/304303422.db2.gz ILMCQFVIZZGYQR-UHFFFAOYSA-N 1 0 329.360 1.605 20 5 EDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000270912106 140196450 /nfs/dbraw/zinc/19/64/50/140196450.db2.gz OBUYATKWVPYIAH-NSHDSACASA-N 1 0 332.360 1.672 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC000270915390 140197806 /nfs/dbraw/zinc/19/78/06/140197806.db2.gz BZBCACFPLKZBIU-LBPRGKRZSA-N 1 0 335.339 1.500 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000331888970 141094378 /nfs/dbraw/zinc/09/43/78/141094378.db2.gz GEZUVDILIACYIH-HOTGVXAUSA-N 1 0 348.403 1.247 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000331999759 141108773 /nfs/dbraw/zinc/10/87/73/141108773.db2.gz VJNUOTFZSBBGKJ-SQWLQELKSA-N 1 0 349.387 1.840 20 5 EDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000332440903 141182342 /nfs/dbraw/zinc/18/23/42/141182342.db2.gz ITZUOLIJISCQOP-GTNSWQLSSA-N 1 0 346.387 1.966 20 5 EDBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000339718178 142132413 /nfs/dbraw/zinc/13/24/13/142132413.db2.gz VUEOFIPDTBVGGE-SNVBAGLBSA-N 1 0 330.410 1.384 20 5 EDBDRO O=C(C[NH+]1CCCC1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000343639385 142867565 /nfs/dbraw/zinc/86/75/65/142867565.db2.gz GPAIYNUXYLJSOJ-UHFFFAOYSA-N 1 0 332.404 1.335 20 5 EDBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000344098389 142928582 /nfs/dbraw/zinc/92/85/82/142928582.db2.gz HHGBXQJFVPKGDI-UHFFFAOYSA-N 1 0 339.396 1.281 20 5 EDBDRO C[C@@H](C[NH+](C)C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000346157302 143173467 /nfs/dbraw/zinc/17/34/67/143173467.db2.gz KGFRQEUGKJFDGK-NSHDSACASA-N 1 0 332.360 1.588 20 5 EDBDRO C[C@@H](O)C[N@H+](C)C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000346393156 143200058 /nfs/dbraw/zinc/20/00/58/143200058.db2.gz CSYWYKCQDWKMEC-SNVBAGLBSA-N 1 0 328.800 1.925 20 5 EDBDRO Cn1nccc1[C@H]1[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC(=O)N1C ZINC000346728671 143238553 /nfs/dbraw/zinc/23/85/53/143238553.db2.gz BPDUQXCMWQSQQT-BLLLJJGKSA-N 1 0 329.360 1.390 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347243931 143299478 /nfs/dbraw/zinc/29/94/78/143299478.db2.gz WOEVZOGXVRIXLM-NSHDSACASA-N 1 0 339.371 1.491 20 5 EDBDRO Cc1cccc2c1OC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000572954310 306604906 /nfs/dbraw/zinc/60/49/06/306604906.db2.gz PIXMQQGVPWPLDD-DZGCQCFKSA-N 1 0 332.360 1.054 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000193401621 296584685 /nfs/dbraw/zinc/58/46/85/296584685.db2.gz GMWHDWDXKYZBQW-PSASIEDQSA-N 1 0 333.797 1.525 20 5 EDBDRO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369693845 155137081 /nfs/dbraw/zinc/13/70/81/155137081.db2.gz VUEMKJWFTAJMAD-ZDUSSCGKSA-N 1 0 335.408 1.829 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2COc2ccccc2)c1 ZINC000369826568 155193795 /nfs/dbraw/zinc/19/37/95/155193795.db2.gz XTXFXRZJPBTPIS-GDBMZVCRSA-N 1 0 346.387 1.696 20 5 EDBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000352585221 149073944 /nfs/dbraw/zinc/07/39/44/149073944.db2.gz BMEYYYCYDLNZKB-LLVKDONJSA-N 1 0 347.441 1.210 20 5 EDBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)[C@H]1COC[C@H]1O ZINC000352817035 149178557 /nfs/dbraw/zinc/17/85/57/149178557.db2.gz QGGXCGPFELMCEZ-JIMOISOXSA-N 1 0 334.332 1.397 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000355343868 150225090 /nfs/dbraw/zinc/22/50/90/150225090.db2.gz OSYRKBSXWKTZFU-UHFFFAOYSA-N 1 0 337.424 1.405 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000357040479 150900170 /nfs/dbraw/zinc/90/01/70/150900170.db2.gz CQNMUINCNNZSSL-UHFFFAOYSA-N 1 0 335.408 1.855 20 5 EDBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000358051108 151247070 /nfs/dbraw/zinc/24/70/70/151247070.db2.gz QVIFOHGWRCCTOQ-HNNXBMFYSA-N 1 0 335.385 1.606 20 5 EDBDRO C[C@H]([NH2+]CCn1nc2ccccn2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000358099681 151270559 /nfs/dbraw/zinc/27/05/59/151270559.db2.gz OYSDWTWGAYGYHP-LBPRGKRZSA-N 1 0 327.344 1.755 20 5 EDBDRO CCC[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000358298082 151329336 /nfs/dbraw/zinc/32/93/36/151329336.db2.gz HBEBFPDXMVMSMF-HUUCEWRRSA-N 1 0 342.417 1.839 20 5 EDBDRO CCC[C@H]([NH2+]C[C@H]1CS(=O)(=O)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000358298079 151329614 /nfs/dbraw/zinc/32/96/14/151329614.db2.gz HBEBFPDXMVMSMF-GJZGRUSLSA-N 1 0 342.417 1.839 20 5 EDBDRO C[C@H]1C[C@H](Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC[N@@H+]1C ZINC000361095083 152300683 /nfs/dbraw/zinc/30/06/83/152300683.db2.gz IIVVUOWRZBNIDH-VHSXEESVSA-N 1 0 328.394 1.137 20 5 EDBDRO CNc1c(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000361219561 152339239 /nfs/dbraw/zinc/33/92/39/152339239.db2.gz FREJXVCSABABFQ-GFCCVEGCSA-N 1 0 335.408 1.002 20 5 EDBDRO CC[N@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000361254092 152346203 /nfs/dbraw/zinc/34/62/03/152346203.db2.gz YWSMIOJDERQPLM-CYBMUJFWSA-N 1 0 338.360 1.757 20 5 EDBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363020877 152880454 /nfs/dbraw/zinc/88/04/54/152880454.db2.gz WYFNWZAPZIGYTI-UONOGXRCSA-N 1 0 346.387 1.068 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363708030 153035696 /nfs/dbraw/zinc/03/56/96/153035696.db2.gz INKBTKXLZWRYLD-AWEZNQCLSA-N 1 0 349.387 1.343 20 5 EDBDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000363875495 153082204 /nfs/dbraw/zinc/08/22/04/153082204.db2.gz ZTDNLUSGJLPPFV-VHDGCEQUSA-N 1 0 348.403 1.609 20 5 EDBDRO CN(CC(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000364186070 153167128 /nfs/dbraw/zinc/16/71/28/153167128.db2.gz HTMGAJLJKLUCQT-DOTOQJQBSA-N 1 0 332.404 1.761 20 5 EDBDRO C[C@]1([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)NC(=O)NC1=O ZINC000364354723 153215133 /nfs/dbraw/zinc/21/51/33/153215133.db2.gz AHMADEBGYJZZQN-BLLLJJGKSA-N 1 0 332.360 1.405 20 5 EDBDRO COc1ccc(CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000417195665 304383341 /nfs/dbraw/zinc/38/33/41/304383341.db2.gz ODZZDIFAOTZYKA-STQMWFEESA-N 1 0 336.392 1.920 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2CC[NH+](C)CC2)c1C ZINC000119397440 292291953 /nfs/dbraw/zinc/29/19/53/292291953.db2.gz XBMOVATULCYSJP-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO Cc1cc(C)n([C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000367139779 154019932 /nfs/dbraw/zinc/01/99/32/154019932.db2.gz LIFGTPDDYMYLBW-HNNXBMFYSA-N 1 0 345.403 1.907 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n1 ZINC000367402807 154106426 /nfs/dbraw/zinc/10/64/26/154106426.db2.gz LSKUJOPPZRUUNK-SWLSCSKDSA-N 1 0 329.360 1.504 20 5 EDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000371580182 156014905 /nfs/dbraw/zinc/01/49/05/156014905.db2.gz BXYLEVUANOWQSF-UHFFFAOYSA-N 1 0 349.391 1.130 20 5 EDBDRO Cn1ccnc1[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374332502 157247843 /nfs/dbraw/zinc/24/78/43/157247843.db2.gz SCILBXOGFNOZFD-LLVKDONJSA-N 1 0 348.334 1.862 20 5 EDBDRO Cn1ccnc1[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000374332776 157248188 /nfs/dbraw/zinc/24/81/88/157248188.db2.gz SMVGKRHLEWITKZ-SECBINFHSA-N 1 0 333.323 1.679 20 5 EDBDRO Cc1ccc([C@@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000374610077 157344679 /nfs/dbraw/zinc/34/46/79/157344679.db2.gz GHOWZLVHEJMSAS-NVXWUHKLSA-N 1 0 330.388 1.950 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000378447136 158176613 /nfs/dbraw/zinc/17/66/13/158176613.db2.gz ASVQGJPSFMJCHI-IUODEOHRSA-N 1 0 348.403 1.839 20 5 EDBDRO CC[NH+](CC)CCS(=O)(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000352247092 162071445 /nfs/dbraw/zinc/07/14/45/162071445.db2.gz LLGPWICTOOTQQN-UHFFFAOYSA-N 1 0 329.422 1.399 20 5 EDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000120542245 221607325 /nfs/dbraw/zinc/60/73/25/221607325.db2.gz LXVCGVYJLHBMLE-CQSZACIVSA-N 1 0 341.383 1.749 20 5 EDBDRO CC[NH+]1CCN(CCCNC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000122471676 222095149 /nfs/dbraw/zinc/09/51/49/222095149.db2.gz AUQCUFBMFLQBQX-UHFFFAOYSA-N 1 0 334.420 1.661 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000172077475 227455691 /nfs/dbraw/zinc/45/56/91/227455691.db2.gz OMYUZXHCKMVVHO-LBPRGKRZSA-N 1 0 327.406 1.475 20 5 EDBDRO CCCC[C@@H](C[NH3+])NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418448233 304496259 /nfs/dbraw/zinc/49/62/59/304496259.db2.gz QFNYZVFBVJKVDO-AWEZNQCLSA-N 1 0 349.435 1.944 20 5 EDBDRO C[C@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000420177974 299853682 /nfs/dbraw/zinc/85/36/82/299853682.db2.gz AIUITQQKJFWONN-WPRPVWTQSA-N 1 0 333.435 1.623 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029179825 267380508 /nfs/dbraw/zinc/38/05/08/267380508.db2.gz WRFMFCMPYPBRCZ-INIZCTEOSA-N 1 0 343.387 1.745 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccccc1C[NH+]1CCCC1 ZINC000028488538 267381153 /nfs/dbraw/zinc/38/11/53/267381153.db2.gz GPQSNBFNHFQLEK-UHFFFAOYSA-N 1 0 343.387 1.704 20 5 EDBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)CC[N@@H+]1CCOC ZINC000274697629 268186800 /nfs/dbraw/zinc/18/68/00/268186800.db2.gz SPUNCFCYTLFLEA-LLVKDONJSA-N 1 0 326.372 1.863 20 5 EDBDRO CC(=O)N1CCN(CCNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000275366496 268330766 /nfs/dbraw/zinc/33/07/66/268330766.db2.gz MPJVIVZBKVEECG-UHFFFAOYSA-N 1 0 333.392 1.139 20 5 EDBDRO CC(C)CCC[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000275832000 268375867 /nfs/dbraw/zinc/37/58/67/268375867.db2.gz SMRLZROYAAUZRQ-UHFFFAOYSA-N 1 0 329.422 1.899 20 5 EDBDRO CC[NH+](CC)CCN(CCOC)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000278273138 268632435 /nfs/dbraw/zinc/63/24/35/268632435.db2.gz AWMURKRXYPWKHH-UHFFFAOYSA-N 1 0 338.408 1.488 20 5 EDBDRO NS(=O)(=O)c1cccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000273438866 273039698 /nfs/dbraw/zinc/03/96/98/273039698.db2.gz CJWDNFBGOQSOJH-JQWIXIFHSA-N 1 0 340.405 1.281 20 5 EDBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000274067059 273067992 /nfs/dbraw/zinc/06/79/92/273067992.db2.gz QXEWAPSSFCMKQG-RYUDHWBXSA-N 1 0 337.376 1.735 20 5 EDBDRO CN(CC(=O)N1CCC[C@H]([NH+](C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000277262130 273184460 /nfs/dbraw/zinc/18/44/60/273184460.db2.gz LORQXPQIIAMEFT-AWEZNQCLSA-N 1 0 334.420 1.974 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000277552138 273205777 /nfs/dbraw/zinc/20/57/77/273205777.db2.gz IVYKPPXTYWWWNB-HNNXBMFYSA-N 1 0 339.417 1.771 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000277819825 273229071 /nfs/dbraw/zinc/22/90/71/273229071.db2.gz YEXGFSWCEVONJZ-UHFFFAOYSA-N 1 0 339.417 1.748 20 5 EDBDRO C[NH+](C)C1(CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC1 ZINC000278909456 273270392 /nfs/dbraw/zinc/27/03/92/273270392.db2.gz SGKRPHMOJGJMDP-UHFFFAOYSA-N 1 0 346.391 1.755 20 5 EDBDRO C[C@H]1C[C@@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[N@@H+]1C ZINC000279236128 273286934 /nfs/dbraw/zinc/28/69/34/273286934.db2.gz QXELXGWAOBGOHP-GJZGRUSLSA-N 1 0 346.431 1.974 20 5 EDBDRO C[C@@H]1OCC[C@@]12C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCO2 ZINC000280324034 273357042 /nfs/dbraw/zinc/35/70/42/273357042.db2.gz GXGIKAUCEDUFPX-SUMWQHHRSA-N 1 0 349.387 1.803 20 5 EDBDRO Cc1cc(F)c(NC(=O)NCC2(O)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000283916233 274009626 /nfs/dbraw/zinc/00/96/26/274009626.db2.gz JZYAHBHKNGKFMX-UHFFFAOYSA-N 1 0 340.355 1.621 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)c([N+](=O)[O-])c1 ZINC000237239462 274116629 /nfs/dbraw/zinc/11/66/29/274116629.db2.gz RFJLFSJXOWLZLU-CQSZACIVSA-N 1 0 345.421 1.645 20 5 EDBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000267193529 274217932 /nfs/dbraw/zinc/21/79/32/274217932.db2.gz HWCSKBORDRPFHF-NSHDSACASA-N 1 0 342.421 1.529 20 5 EDBDRO COc1cc(N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)c([N+](=O)[O-])cc1F ZINC000284493207 274222057 /nfs/dbraw/zinc/22/20/57/274222057.db2.gz HMQUFPGYZIAKJJ-QWRGUYRKSA-N 1 0 327.356 1.898 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H]2C1 ZINC000284703971 274300762 /nfs/dbraw/zinc/30/07/62/274300762.db2.gz SVCIDBLYSFPQBX-HUUCEWRRSA-N 1 0 336.348 1.408 20 5 EDBDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000184803220 274525328 /nfs/dbraw/zinc/52/53/28/274525328.db2.gz VJTXKLTZPKEOSR-SRVKXCTJSA-N 1 0 334.376 1.556 20 5 EDBDRO O=C1CC[C@H]([NH+]2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)CCN1 ZINC000450895051 275018098 /nfs/dbraw/zinc/01/80/98/275018098.db2.gz WQLSZSSMLBTWOP-ZDUSSCGKSA-N 1 0 336.367 1.525 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCSC3)CC2)c2nonc21 ZINC000366036095 275036392 /nfs/dbraw/zinc/03/63/92/275036392.db2.gz XYNIATGWFVIEMU-SNVBAGLBSA-N 1 0 335.389 1.759 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000253357302 287823397 /nfs/dbraw/zinc/82/33/97/287823397.db2.gz YPMRIMUIAYGYND-ZWNOBZJWSA-N 1 0 341.433 1.960 20 5 EDBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000330447054 276176112 /nfs/dbraw/zinc/17/61/12/276176112.db2.gz RPBRKBOUTUKIFI-CYBMUJFWSA-N 1 0 341.433 1.913 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000346131691 276594060 /nfs/dbraw/zinc/59/40/60/276594060.db2.gz BHGMJODLSHMHPS-JQWIXIFHSA-N 1 0 340.428 1.284 20 5 EDBDRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000371088708 277017742 /nfs/dbraw/zinc/01/77/42/277017742.db2.gz OQTZXVFVWIUTIH-MLGOLLRUSA-N 1 0 332.360 1.405 20 5 EDBDRO C[NH2+][C@@H]1CCCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000420156410 277039705 /nfs/dbraw/zinc/03/97/05/277039705.db2.gz MZOCGIANJNACMK-CYBMUJFWSA-N 1 0 343.387 1.748 20 5 EDBDRO C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000370600178 277110822 /nfs/dbraw/zinc/11/08/22/277110822.db2.gz UNQANKDDILPBGC-OAHLLOKOSA-N 1 0 347.419 1.232 20 5 EDBDRO COc1cccc(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c1[N+](=O)[O-] ZINC000450890761 278016416 /nfs/dbraw/zinc/01/64/16/278016416.db2.gz HPLXULBOYVTNRB-CYBMUJFWSA-N 1 0 348.403 1.394 20 5 EDBDRO COC(=O)c1cnc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC000286526506 288027103 /nfs/dbraw/zinc/02/71/03/288027103.db2.gz YEJZPNKZTBOPFF-FUNVUKJBSA-N 1 0 334.376 1.838 20 5 EDBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000286561391 288034854 /nfs/dbraw/zinc/03/48/54/288034854.db2.gz TVXJGAZRNHBBAE-CQSZACIVSA-N 1 0 348.403 1.574 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC[NH+]2CCCC2)cc1C ZINC000103162133 278744219 /nfs/dbraw/zinc/74/42/19/278744219.db2.gz DFVGVNUDIDIOFF-UHFFFAOYSA-N 1 0 341.433 1.928 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286763641 288081241 /nfs/dbraw/zinc/08/12/41/288081241.db2.gz ZKTNYYHZAFNMHW-CMPLNLGQSA-N 1 0 349.309 1.249 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@@H](C)C1 ZINC000286789987 288088128 /nfs/dbraw/zinc/08/81/28/288088128.db2.gz JQXOKSDTOQKOGZ-WDEREUQCSA-N 1 0 347.375 1.135 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C2CC[NH2+]CC2)c1C ZINC000237124146 280656999 /nfs/dbraw/zinc/65/69/99/280656999.db2.gz CKVGFVJETYUAFF-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000289669684 288756219 /nfs/dbraw/zinc/75/62/19/288756219.db2.gz ADJYZYVZQXQTRG-YPMHNXCESA-N 1 0 328.372 1.687 20 5 EDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290282255 288871948 /nfs/dbraw/zinc/87/19/48/288871948.db2.gz ZQWXDAQCOPWZTF-KGLIPLIRSA-N 1 0 332.404 1.855 20 5 EDBDRO CC1(C)OCC(CO)([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CO1 ZINC000291048740 288994381 /nfs/dbraw/zinc/99/43/81/288994381.db2.gz BSTDSVSRJSUHRB-UHFFFAOYSA-N 1 0 326.349 1.077 20 5 EDBDRO C[C@H](CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000344937835 289486596 /nfs/dbraw/zinc/48/65/96/289486596.db2.gz ASEGBYJLOGJUEU-CYBMUJFWSA-N 1 0 337.424 1.907 20 5 EDBDRO C[C@@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C[NH+](C)C ZINC000293117941 289527064 /nfs/dbraw/zinc/52/70/64/289527064.db2.gz HOUKJWLKFYSPAD-VIFPVBQESA-N 1 0 342.783 1.501 20 5 EDBDRO COc1cc(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000342903550 295014944 /nfs/dbraw/zinc/01/49/44/295014944.db2.gz RLKHUTCFZLPLMV-LLVKDONJSA-N 1 0 343.405 1.495 20 5 EDBDRO CC[C@@H](NC(=O)C(=O)N1CCCC[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000419172164 304573884 /nfs/dbraw/zinc/57/38/84/304573884.db2.gz UJTPRWUXOHWTDV-LSDHHAIUSA-N 1 0 348.403 1.502 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000420376234 304753320 /nfs/dbraw/zinc/75/33/20/304753320.db2.gz AIZCFIYCDFGCJK-NEPJUHHUSA-N 1 0 336.392 1.614 20 5 EDBDRO C[C@@]([NH2+]CCOc1ccccc1[N+](=O)[O-])(C(N)=O)c1ccccc1 ZINC000170644582 302938762 /nfs/dbraw/zinc/93/87/62/302938762.db2.gz OTGCRZKAYXJETA-KRWDZBQOSA-N 1 0 329.356 1.964 20 5 EDBDRO CCN(CCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)S(C)(=O)=O ZINC000293804093 303021599 /nfs/dbraw/zinc/02/15/99/303021599.db2.gz RGCDURLAPKZPRX-LLVKDONJSA-N 1 0 344.437 1.499 20 5 EDBDRO CN(C)c1cc(F)c(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000294753161 303143339 /nfs/dbraw/zinc/14/33/39/303143339.db2.gz AOQKNKQCOSILME-LLVKDONJSA-N 1 0 338.383 1.824 20 5 EDBDRO C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000294954635 303156822 /nfs/dbraw/zinc/15/68/22/303156822.db2.gz DNIHDHCRKABOJT-UHIISALHSA-N 1 0 328.390 1.524 20 5 EDBDRO Cn1cc(C[NH2+][C@H]2CCCNC2=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000295120308 303175230 /nfs/dbraw/zinc/17/52/30/303175230.db2.gz WKHSFLKOHABTKM-AWEZNQCLSA-N 1 0 329.360 1.364 20 5 EDBDRO COc1cc(C[NH2+][C@@H]2CCCN(CCCO)C2)c([N+](=O)[O-])cc1O ZINC000295174921 303183965 /nfs/dbraw/zinc/18/39/65/303183965.db2.gz UVEFZNQWBWVBSN-CYBMUJFWSA-N 1 0 339.392 1.245 20 5 EDBDRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000295341698 303207196 /nfs/dbraw/zinc/20/71/96/303207196.db2.gz DRSSCKBUAMCEOU-LBPRGKRZSA-N 1 0 346.387 1.653 20 5 EDBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)(C)C(N)=O ZINC000295727713 303258402 /nfs/dbraw/zinc/25/84/02/303258402.db2.gz OOGPNUTZDFSQIL-UHFFFAOYSA-N 1 0 332.360 1.988 20 5 EDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269278217 303401058 /nfs/dbraw/zinc/40/10/58/303401058.db2.gz POKHJYBWPIIYNP-DZGCQCFKSA-N 1 0 348.403 1.348 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@H](C)COC)CC1 ZINC000301397296 303677058 /nfs/dbraw/zinc/67/70/58/303677058.db2.gz GXXDXTUQUNOLIS-GFCCVEGCSA-N 1 0 336.392 1.111 20 5 EDBDRO COc1ccc(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)cc1[N+](=O)[O-] ZINC000423725273 304905980 /nfs/dbraw/zinc/90/59/80/304905980.db2.gz OIWPWBDWFBFSJN-CYBMUJFWSA-N 1 0 345.359 1.977 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000424007223 304924681 /nfs/dbraw/zinc/92/46/81/304924681.db2.gz VANURBDUXHQWOK-RISCZKNCSA-N 1 0 348.403 1.076 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@H]4[NH2+]CC[C@H]4C3)n2)cc1 ZINC000428036446 305004838 /nfs/dbraw/zinc/00/48/38/305004838.db2.gz HUEHKRUROFSQDE-GXTWGEPZSA-N 1 0 329.360 1.829 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[C@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000428043087 305005313 /nfs/dbraw/zinc/00/53/13/305005313.db2.gz FBSCUMMVFKAHFD-GXTWGEPZSA-N 1 0 348.403 1.616 20 5 EDBDRO CCOc1cc(C(=O)N2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000428614954 305012823 /nfs/dbraw/zinc/01/28/23/305012823.db2.gz HBERMQDRCFUGIV-NSHDSACASA-N 1 0 337.376 1.813 20 5 EDBDRO Cc1nn(Cc2ccc(C(=O)NC(C)(C)C[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000428913849 305019957 /nfs/dbraw/zinc/01/99/57/305019957.db2.gz WMRXRDSKBOAMSE-UHFFFAOYSA-N 1 0 345.403 1.924 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000430634888 305060520 /nfs/dbraw/zinc/06/05/20/305060520.db2.gz SZNCPKMPDGMFTP-BXUZGUMPSA-N 1 0 336.392 1.744 20 5 EDBDRO Cc1c(NC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)cccc1[N+](=O)[O-] ZINC000433382353 305106982 /nfs/dbraw/zinc/10/69/82/305106982.db2.gz CUXHHZRCEJHZQD-NSHDSACASA-N 1 0 330.348 1.672 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)s1 ZINC000440839510 305213199 /nfs/dbraw/zinc/21/31/99/305213199.db2.gz BRUDWKJRPDAISH-NSHDSACASA-N 1 0 345.446 1.809 20 5 EDBDRO COc1ccc(NC(=O)CN2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000443065052 305234410 /nfs/dbraw/zinc/23/44/10/305234410.db2.gz ZIJHZOYJAQZTDW-GFCCVEGCSA-N 1 0 336.392 1.603 20 5 EDBDRO C[C@H]1C[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000443789121 305241463 /nfs/dbraw/zinc/24/14/63/305241463.db2.gz XWORSKOSBPTGPK-AAEUAGOBSA-N 1 0 327.406 1.497 20 5 EDBDRO O=C(C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)NCC(F)(F)F ZINC000447542168 305281741 /nfs/dbraw/zinc/28/17/41/305281741.db2.gz OBDFQXQJFBXZBQ-VHSXEESVSA-N 1 0 349.313 1.543 20 5 EDBDRO O=C(C[NH2+][C@H](CO)[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000447921556 305289013 /nfs/dbraw/zinc/28/90/13/305289013.db2.gz LBKLKZVFTAWGID-CHWSQXEVSA-N 1 0 343.767 1.316 20 5 EDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000449179531 305308995 /nfs/dbraw/zinc/30/89/95/305308995.db2.gz WCVSRPXQHTWJQF-CZUORRHYSA-N 1 0 347.415 1.895 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451632336 305357660 /nfs/dbraw/zinc/35/76/60/305357660.db2.gz OLJFLZDUBRTXMG-SWLSCSKDSA-N 1 0 348.403 1.568 20 5 EDBDRO C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000494914001 305633600 /nfs/dbraw/zinc/63/36/00/305633600.db2.gz CSUQKQSRYDIQGH-UHIISALHSA-N 1 0 327.406 1.507 20 5 EDBDRO CCc1ccc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000515647768 305725945 /nfs/dbraw/zinc/72/59/45/305725945.db2.gz BRUXJGOKXYUZOW-ZDUSSCGKSA-N 1 0 341.433 1.968 20 5 EDBDRO CS(=O)(=O)N1CC[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000519551709 305770211 /nfs/dbraw/zinc/77/02/11/305770211.db2.gz VFLMMFSAAQINIK-RYWCDNDXSA-N 1 0 325.390 1.232 20 5 EDBDRO COC(=O)COc1ccc(CN[C@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000414944505 447367594 /nfs/dbraw/zinc/36/75/94/447367594.db2.gz PYHBJTFEFVFIIU-YPMHNXCESA-N 1 0 337.376 1.234 20 5 EDBDRO CC[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000549158945 306145013 /nfs/dbraw/zinc/14/50/13/306145013.db2.gz HOFMZYQQYOFMJK-AWEZNQCLSA-N 1 0 343.387 1.885 20 5 EDBDRO C[N@@H+]1C[C@@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@H]2[C@@H]1c1ccccc1 ZINC000377830234 447375578 /nfs/dbraw/zinc/37/55/78/447375578.db2.gz BXWVTHKICORCHB-NFAWXSAZSA-N 1 0 340.387 1.706 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N(C)[C@@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000419755873 447397036 /nfs/dbraw/zinc/39/70/36/447397036.db2.gz FNEXSNZXURXXNJ-CQSZACIVSA-N 1 0 348.403 1.120 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000419765856 447400606 /nfs/dbraw/zinc/40/06/06/447400606.db2.gz XUATXGPKSFSNFF-OCCSQVGLSA-N 1 0 348.403 1.024 20 5 EDBDRO CC(C)(C)[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449912729 447409879 /nfs/dbraw/zinc/40/98/79/447409879.db2.gz PFVRNUWZVCOLIT-UHFFFAOYSA-N 1 0 331.376 1.898 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[NH+]1CCC(C)CC1 ZINC000046034398 441071377 /nfs/dbraw/zinc/07/13/77/441071377.db2.gz XWZJRDNNSOWIIZ-UHFFFAOYSA-N 1 0 341.433 1.913 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000046035068 441071593 /nfs/dbraw/zinc/07/15/93/441071593.db2.gz GDWMBNKFAZICPW-LBPRGKRZSA-N 1 0 341.433 1.913 20 5 EDBDRO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000014520368 441185545 /nfs/dbraw/zinc/18/55/45/441185545.db2.gz XAVIQQMFWAUQIJ-UHFFFAOYSA-N 1 0 341.371 1.994 20 5 EDBDRO C[C@H]1CCC[N@H+](CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000047148054 441160796 /nfs/dbraw/zinc/16/07/96/441160796.db2.gz MRWBTLDDIDSFDG-ZDUSSCGKSA-N 1 0 348.403 1.173 20 5 EDBDRO CNS(=O)(=O)c1ccc(NCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000060380045 441239506 /nfs/dbraw/zinc/23/95/06/441239506.db2.gz LRCHURHAIKGMEN-UHFFFAOYSA-N 1 0 342.421 1.401 20 5 EDBDRO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000080898667 441206006 /nfs/dbraw/zinc/20/60/06/441206006.db2.gz URQLXTKEVDLMKY-INWMFGNUSA-N 1 0 340.424 1.319 20 5 EDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000072631772 441243131 /nfs/dbraw/zinc/24/31/31/441243131.db2.gz SXENBDASTGDNEW-NEPJUHHUSA-N 1 0 327.406 1.656 20 5 EDBDRO C[NH+](C)C1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000063735391 441348321 /nfs/dbraw/zinc/34/83/21/441348321.db2.gz FEFVMYLLZNSOMS-UHFFFAOYSA-N 1 0 343.387 1.947 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c(C)c1[N+](=O)[O-] ZINC000073988794 441379539 /nfs/dbraw/zinc/37/95/39/441379539.db2.gz ZIBNEBLGMUBXQB-UONOGXRCSA-N 1 0 335.408 1.493 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000065202453 441407103 /nfs/dbraw/zinc/40/71/03/441407103.db2.gz ZCBSRBIUSDVQLB-LLVKDONJSA-N 1 0 342.421 1.384 20 5 EDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000107887524 441432720 /nfs/dbraw/zinc/43/27/20/441432720.db2.gz MOBYQMAFGYGNKF-LBPRGKRZSA-N 1 0 344.375 1.247 20 5 EDBDRO C[C@@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[N@H+](C)C1CC1 ZINC000067276891 441623650 /nfs/dbraw/zinc/62/36/50/441623650.db2.gz CWWOGWCRIFSHLM-NSHDSACASA-N 1 0 344.375 1.388 20 5 EDBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000055265433 441636425 /nfs/dbraw/zinc/63/64/25/441636425.db2.gz RXBFPBDAHKHHIE-GFCCVEGCSA-N 1 0 327.406 1.605 20 5 EDBDRO O=[N+]([O-])c1ccc(NCCCC[NH+]2CCN(CCO)CC2)c(F)c1 ZINC000114450879 441657314 /nfs/dbraw/zinc/65/73/14/441657314.db2.gz IXZZUCCRPBOBKA-UHFFFAOYSA-N 1 0 340.399 1.536 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000114478012 441662114 /nfs/dbraw/zinc/66/21/14/441662114.db2.gz AOGHGCMFYJBVFU-CYBMUJFWSA-N 1 0 332.404 1.367 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000041890041 441681655 /nfs/dbraw/zinc/68/16/55/441681655.db2.gz PYYRHKXAFZABRN-GFCCVEGCSA-N 1 0 346.387 1.442 20 5 EDBDRO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000042008206 441693453 /nfs/dbraw/zinc/69/34/53/441693453.db2.gz SXZSZONZOOKPFX-NSHDSACASA-N 1 0 345.421 1.612 20 5 EDBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000067975974 441705047 /nfs/dbraw/zinc/70/50/47/441705047.db2.gz YBBZFPXNBLUVSF-AWEZNQCLSA-N 1 0 346.339 1.853 20 5 EDBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000067703149 441669580 /nfs/dbraw/zinc/66/95/80/441669580.db2.gz CRZVHMCEUZNZCR-LBPRGKRZSA-N 1 0 342.359 1.142 20 5 EDBDRO CC[NH+](CC)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)CC(C)C ZINC000042547218 441750034 /nfs/dbraw/zinc/75/00/34/441750034.db2.gz LRGMPDUYIATEAA-CYBMUJFWSA-N 1 0 325.413 1.664 20 5 EDBDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000136850516 441729014 /nfs/dbraw/zinc/72/90/14/441729014.db2.gz JTCYCAPAIJKXRG-LLVKDONJSA-N 1 0 339.417 1.887 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116127768 441796439 /nfs/dbraw/zinc/79/64/39/441796439.db2.gz QMZAYXCZJZTQIU-CYBMUJFWSA-N 1 0 339.440 1.972 20 5 EDBDRO COCC[N@H+](C)CCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000121883130 441804120 /nfs/dbraw/zinc/80/41/20/441804120.db2.gz MKCHSXXEKHMZLY-UHFFFAOYSA-N 1 0 345.421 1.379 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](CC(C)C)[NH+]1CCCC1 ZINC000068468455 441804425 /nfs/dbraw/zinc/80/44/25/441804425.db2.gz MTCOMNKAGWPZQZ-CQSZACIVSA-N 1 0 337.424 1.726 20 5 EDBDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000159916586 441845915 /nfs/dbraw/zinc/84/59/15/441845915.db2.gz RPZGDQNDQFZSHN-GOEBONIOSA-N 1 0 331.376 1.693 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000146623744 441899145 /nfs/dbraw/zinc/89/91/45/441899145.db2.gz WUYILEWOUOCZCF-CQSZACIVSA-N 1 0 339.417 1.762 20 5 EDBDRO C[NH+]1CCC(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069441102 441936238 /nfs/dbraw/zinc/93/62/38/441936238.db2.gz CRUQGLBFYNZLBJ-UHFFFAOYSA-N 1 0 336.392 1.615 20 5 EDBDRO C[C@@H]1C[NH2+]CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000124600239 441939279 /nfs/dbraw/zinc/93/92/79/441939279.db2.gz CEXFGPANBPEVNW-SECBINFHSA-N 1 0 342.193 1.720 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000151619401 442094572 /nfs/dbraw/zinc/09/45/72/442094572.db2.gz OPAHSLIUCHAZKY-ZDUSSCGKSA-N 1 0 339.417 1.701 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000162200506 442072831 /nfs/dbraw/zinc/07/28/31/442072831.db2.gz XENHJOXQJHNLQB-ZDUSSCGKSA-N 1 0 341.433 1.974 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000162675130 442114186 /nfs/dbraw/zinc/11/41/86/442114186.db2.gz MDMJZERKFMDGED-NEPJUHHUSA-N 1 0 337.376 1.947 20 5 EDBDRO CSc1ccc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000163196282 442149858 /nfs/dbraw/zinc/14/98/58/442149858.db2.gz TVWRTEOAXOUSAH-BXKDBHETSA-N 1 0 325.390 1.505 20 5 EDBDRO O=C1CC[C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@@H]2N1C1CC1 ZINC000163004827 442138121 /nfs/dbraw/zinc/13/81/21/442138121.db2.gz RPYWYXMUXWIIEY-OCCSQVGLSA-N 1 0 333.392 1.267 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000126312030 442098235 /nfs/dbraw/zinc/09/82/35/442098235.db2.gz JZTDARFGRYYKPC-OCCSQVGLSA-N 1 0 343.387 1.721 20 5 EDBDRO CCC[C@H]([NH2+]CCCNS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000121218642 442193354 /nfs/dbraw/zinc/19/33/54/442193354.db2.gz ZXWVQOKYDGSMKF-AWEZNQCLSA-N 1 0 329.422 1.965 20 5 EDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000176287357 442205205 /nfs/dbraw/zinc/20/52/05/442205205.db2.gz OAOGGOYLSWABSW-LBPRGKRZSA-N 1 0 339.396 1.733 20 5 EDBDRO O=C(Cn1nccc1[N+](=O)[O-])NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000127984362 442237663 /nfs/dbraw/zinc/23/76/63/442237663.db2.gz DHKSINSSWKBHHT-UHFFFAOYSA-N 1 0 343.387 1.704 20 5 EDBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000129405587 442315338 /nfs/dbraw/zinc/31/53/38/442315338.db2.gz UAILJNAOGLBPDE-QMMMGPOBSA-N 1 0 330.182 1.943 20 5 EDBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000171505534 442353548 /nfs/dbraw/zinc/35/35/48/442353548.db2.gz QPJLHWPQVPRGMM-GFCCVEGCSA-N 1 0 343.405 1.366 20 5 EDBDRO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)[N@H+](C)Cc1ccccc1 ZINC000171881220 442387260 /nfs/dbraw/zinc/38/72/60/442387260.db2.gz YXWMZCZSCKKDDM-ZDUSSCGKSA-N 1 0 331.376 1.428 20 5 EDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1 ZINC000133803045 442435032 /nfs/dbraw/zinc/43/50/32/442435032.db2.gz DNQFBUQGCBDRGT-NSHDSACASA-N 1 0 336.348 1.944 20 5 EDBDRO C[N@H+](CCNC(=O)NCCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000133819380 442435928 /nfs/dbraw/zinc/43/59/28/442435928.db2.gz DOGSJKYTUHUMGY-UHFFFAOYSA-N 1 0 346.391 1.223 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(Cn3cncn3)CC2)c1 ZINC000186231231 442492666 /nfs/dbraw/zinc/49/26/66/442492666.db2.gz WABRIYAMXZBFRK-MRXNPFEDSA-N 1 0 331.376 1.632 20 5 EDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@H](c1ccccc1)[NH+](C)C ZINC000186485931 442543721 /nfs/dbraw/zinc/54/37/21/442543721.db2.gz ZZZVTNCWVLZALV-IAQYHMDHSA-N 1 0 343.387 1.993 20 5 EDBDRO O=C(CC[N@@H+](CCO)Cc1cccnc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000157049575 442545295 /nfs/dbraw/zinc/54/52/95/442545295.db2.gz KTJIPHPJPWEIMM-UHFFFAOYSA-N 1 0 344.371 1.813 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000192029242 442573963 /nfs/dbraw/zinc/57/39/63/442573963.db2.gz ADETXQGXPYTZOE-GFCCVEGCSA-N 1 0 343.405 1.399 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000173002763 442582149 /nfs/dbraw/zinc/58/21/49/442582149.db2.gz JETASMJLFLOQSO-UHFFFAOYSA-N 1 0 349.309 1.922 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000173050996 442594751 /nfs/dbraw/zinc/59/47/51/442594751.db2.gz OZBQIEQFLSPPKJ-NSHDSACASA-N 1 0 325.413 1.582 20 5 EDBDRO CC(C)C(=O)NCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000157591065 442595536 /nfs/dbraw/zinc/59/55/36/442595536.db2.gz GRDZPHOWGXPCAX-UHFFFAOYSA-N 1 0 336.392 1.627 20 5 EDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000186777818 442609290 /nfs/dbraw/zinc/60/92/90/442609290.db2.gz OLDOBADIXOJKQK-UHFFFAOYSA-N 1 0 344.371 1.603 20 5 EDBDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000173264825 442635100 /nfs/dbraw/zinc/63/51/00/442635100.db2.gz KBYDANDSYKOJRK-AAEUAGOBSA-N 1 0 327.406 1.698 20 5 EDBDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000173266083 442636015 /nfs/dbraw/zinc/63/60/15/442636015.db2.gz ILRNKTQKLDESSL-UWVGGRQHSA-N 1 0 333.435 1.760 20 5 EDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000158097675 442646564 /nfs/dbraw/zinc/64/65/64/442646564.db2.gz YUPAPSTXCYMRKZ-HNNXBMFYSA-N 1 0 332.364 1.279 20 5 EDBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000180532546 442617673 /nfs/dbraw/zinc/61/76/73/442617673.db2.gz LDCZPWSRNNAWSH-LBPRGKRZSA-N 1 0 335.408 1.814 20 5 EDBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC000180544238 442619716 /nfs/dbraw/zinc/61/97/16/442619716.db2.gz KYTYEMXQBKAFLR-UHFFFAOYSA-N 1 0 343.387 1.954 20 5 EDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000193329149 442733945 /nfs/dbraw/zinc/73/39/45/442733945.db2.gz GEURYLVZYHWMNP-SECBINFHSA-N 1 0 333.797 1.621 20 5 EDBDRO O=C1NC(=O)[C@@]2(CCC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)N1 ZINC000193464012 442745303 /nfs/dbraw/zinc/74/53/03/442745303.db2.gz VJEJJSZDIUBVMF-GIZXNFQBSA-N 1 0 330.344 1.282 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(n2cncn2)CC1 ZINC000182226225 442747420 /nfs/dbraw/zinc/74/74/20/442747420.db2.gz HGZOWKNNEYDZOZ-AWEZNQCLSA-N 1 0 347.375 1.263 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193809067 442790400 /nfs/dbraw/zinc/79/04/00/442790400.db2.gz XZQSTUTWCQZNDI-OAHLLOKOSA-N 1 0 343.387 1.430 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H]2CCN(C)C2=O)cccc1[N+](=O)[O-] ZINC000265643750 442859869 /nfs/dbraw/zinc/85/98/69/442859869.db2.gz KSMYZLJOFDCTCH-CQSZACIVSA-N 1 0 334.376 1.394 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000194280127 442870945 /nfs/dbraw/zinc/87/09/45/442870945.db2.gz DHGPABBJPUPKBG-ZDUSSCGKSA-N 1 0 341.389 1.155 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000268158795 442876538 /nfs/dbraw/zinc/87/65/38/442876538.db2.gz IVGRSCCPUNINFG-IINYFYTJSA-N 1 0 346.387 1.441 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000189213171 442898280 /nfs/dbraw/zinc/89/82/80/442898280.db2.gz ATMGACBSLYBJJD-UHFFFAOYSA-N 1 0 333.369 1.677 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000183218891 442906388 /nfs/dbraw/zinc/90/63/88/442906388.db2.gz IJILCVFSQHTLIS-VXGBXAGGSA-N 1 0 337.376 1.635 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000268223976 442906708 /nfs/dbraw/zinc/90/67/08/442906708.db2.gz QWCQDQCFIFHNMX-MFKMUULPSA-N 1 0 347.371 1.579 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265786974 442920278 /nfs/dbraw/zinc/92/02/78/442920278.db2.gz GARXETBENNDHEB-UHFFFAOYSA-N 1 0 337.420 1.909 20 5 EDBDRO COC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000189396506 442939814 /nfs/dbraw/zinc/93/98/14/442939814.db2.gz UPHQYXKKOAJHIO-QWHCGFSZSA-N 1 0 337.376 1.659 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249545579 442984793 /nfs/dbraw/zinc/98/47/93/442984793.db2.gz GEEMDFWAASDDMD-BXUZGUMPSA-N 1 0 337.376 1.635 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000266053532 443000912 /nfs/dbraw/zinc/00/09/12/443000912.db2.gz ZISWWLIJWYGBIA-CQSZACIVSA-N 1 0 335.404 1.758 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000266195949 443053755 /nfs/dbraw/zinc/05/37/55/443053755.db2.gz NTMKHZASMGCHPO-NHYWBVRUSA-N 1 0 344.375 1.198 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000184829030 443083064 /nfs/dbraw/zinc/08/30/64/443083064.db2.gz BJBUEJMFNSUEBS-KGLIPLIRSA-N 1 0 348.403 1.866 20 5 EDBDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000185235884 443166706 /nfs/dbraw/zinc/16/67/06/443166706.db2.gz COQMQLGWRMIKCF-UHFFFAOYSA-N 1 0 327.406 1.451 20 5 EDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000237427013 443171324 /nfs/dbraw/zinc/17/13/24/443171324.db2.gz GMEXVDSQWUQEAE-GHMZBOCLSA-N 1 0 330.348 1.127 20 5 EDBDRO Cc1nn(Cc2ccc(C(=O)NCC(C)(C)[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000237876969 443185944 /nfs/dbraw/zinc/18/59/44/443185944.db2.gz ZYZBOXCOWAKDKS-UHFFFAOYSA-N 1 0 345.403 1.924 20 5 EDBDRO CC[NH+]1CCN([C@H]2CCN(c3cccc(OC)c3[N+](=O)[O-])C2)CC1 ZINC000185384373 443192414 /nfs/dbraw/zinc/19/24/14/443192414.db2.gz QUPDOKSXOKEAPX-AWEZNQCLSA-N 1 0 334.420 1.820 20 5 EDBDRO C[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000266538266 443161296 /nfs/dbraw/zinc/16/12/96/443161296.db2.gz RDBQPUOMFLGNJV-CYBMUJFWSA-N 1 0 336.392 1.157 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190924323 443209667 /nfs/dbraw/zinc/20/96/67/443209667.db2.gz IVMDXGWARKJIQU-NEPJUHHUSA-N 1 0 337.376 1.492 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000382497366 319123861 /nfs/dbraw/zinc/12/38/61/319123861.db2.gz JUQLLAXZTJYJOS-VHSXEESVSA-N 1 0 329.378 1.009 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000415900632 319382650 /nfs/dbraw/zinc/38/26/50/319382650.db2.gz WHJNQCGSYFUOJB-UHFFFAOYSA-N 1 0 346.387 1.522 20 5 EDBDRO COc1cc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc([N+](=O)[O-])c1OC ZINC000269300214 443272639 /nfs/dbraw/zinc/27/26/39/443272639.db2.gz XEXXHSYXWONPTK-JQWIXIFHSA-N 1 0 337.376 1.859 20 5 EDBDRO CC[N@@H+]1CCCC[C@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000272441270 443318311 /nfs/dbraw/zinc/31/83/11/443318311.db2.gz DUSDNKOWUSASTC-NSHDSACASA-N 1 0 342.421 1.529 20 5 EDBDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000272455400 443324723 /nfs/dbraw/zinc/32/47/23/443324723.db2.gz KKOASJPDLILXDF-GFCCVEGCSA-N 1 0 329.422 1.397 20 5 EDBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000267193526 443373507 /nfs/dbraw/zinc/37/35/07/443373507.db2.gz HWCSKBORDRPFHF-LLVKDONJSA-N 1 0 342.421 1.529 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000272546360 443358014 /nfs/dbraw/zinc/35/80/14/443358014.db2.gz YNJUOTOJVHAMSI-GFCCVEGCSA-N 1 0 348.403 1.408 20 5 EDBDRO C[C@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282750598 443424168 /nfs/dbraw/zinc/42/41/68/443424168.db2.gz KDMUQDVEANNCDZ-SMDDNHRTSA-N 1 0 346.387 1.713 20 5 EDBDRO COC(=O)[C@@H]1CC12CC[NH+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000269686173 443396389 /nfs/dbraw/zinc/39/63/89/443396389.db2.gz ZVCDRSYFXGWPSR-LSDHHAIUSA-N 1 0 334.372 1.903 20 5 EDBDRO CN1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)Cc2ccccc21 ZINC000269856993 443454664 /nfs/dbraw/zinc/45/46/64/443454664.db2.gz IEBYXXYESVLNFJ-UHFFFAOYSA-N 1 0 328.372 1.709 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[NH+](C3CCC3)CC2)c1 ZINC000265055552 443519677 /nfs/dbraw/zinc/51/96/77/443519677.db2.gz XUUFRDKMAURIEX-INIZCTEOSA-N 1 0 335.404 1.505 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000267655831 443529510 /nfs/dbraw/zinc/52/95/10/443529510.db2.gz CMPXCTRRDINONZ-HIFRSBDPSA-N 1 0 349.435 1.509 20 5 EDBDRO COC(=O)C1(O)CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271218696 443496069 /nfs/dbraw/zinc/49/60/69/443496069.db2.gz BZOYSZYMXAQNCG-UHFFFAOYSA-N 1 0 338.360 1.364 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000272339046 443596409 /nfs/dbraw/zinc/59/64/09/443596409.db2.gz OFOVJKSETLHMMO-GOEBONIOSA-N 1 0 337.420 1.589 20 5 EDBDRO CS[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@H]1[NH+](C)C ZINC000286121054 443650273 /nfs/dbraw/zinc/65/02/73/443650273.db2.gz FGUAIFPZZDPIOC-CHWSQXEVSA-N 1 0 349.416 1.725 20 5 EDBDRO CCc1n[nH]c(C(=O)NCc2ccc(CC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000276180339 443663381 /nfs/dbraw/zinc/66/33/81/443663381.db2.gz AMYTYROVBGIVTH-UHFFFAOYSA-N 1 0 345.403 1.914 20 5 EDBDRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000276175645 443662247 /nfs/dbraw/zinc/66/22/47/443662247.db2.gz IBBNJAWPUFSUSN-CYBMUJFWSA-N 1 0 349.387 1.153 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000439346045 320044894 /nfs/dbraw/zinc/04/48/94/320044894.db2.gz HOKKCWHBTDJFQX-NSHDSACASA-N 1 0 334.376 1.394 20 5 EDBDRO CC(C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448980055 320169331 /nfs/dbraw/zinc/16/93/31/320169331.db2.gz NHRPBLFLWYQMPG-UHFFFAOYSA-N 1 0 331.376 1.851 20 5 EDBDRO [NH3+]CC[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000449718624 320201744 /nfs/dbraw/zinc/20/17/44/320201744.db2.gz JXTSWBGTBHHAIE-LLVKDONJSA-N 1 0 334.298 1.793 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000452115834 320242788 /nfs/dbraw/zinc/24/27/88/320242788.db2.gz MGVNSXOBBMBKLY-LSDHHAIUSA-N 1 0 337.420 1.749 20 5 EDBDRO CNC(=O)CCOC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000494951879 320397662 /nfs/dbraw/zinc/39/76/62/320397662.db2.gz CEQRGXPZFVSGQI-UHFFFAOYSA-N 1 0 335.404 1.754 20 5 EDBDRO Cc1cnccc1CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000516563333 320438308 /nfs/dbraw/zinc/43/83/08/320438308.db2.gz DWPQJWKOXCBXOL-INIZCTEOSA-N 1 0 331.372 1.870 20 5 EDBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290903512 443706327 /nfs/dbraw/zinc/70/63/27/443706327.db2.gz FPEWOHJBGHHHGD-GFCCVEGCSA-N 1 0 335.408 1.869 20 5 EDBDRO NC(=O)c1ccnc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000290926615 443713098 /nfs/dbraw/zinc/71/30/98/443713098.db2.gz JARTZQSZNMXLCM-RISCZKNCSA-N 1 0 345.403 1.542 20 5 EDBDRO CC(C)(C)OC[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000298213700 443722157 /nfs/dbraw/zinc/72/21/57/443722157.db2.gz XQDMHSJGOXPMNE-MRXNPFEDSA-N 1 0 337.420 1.893 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)c(C)cc1[N+](=O)[O-] ZINC000520841273 320480697 /nfs/dbraw/zinc/48/06/97/320480697.db2.gz LFRJXAAVZVQUKJ-GFCCVEGCSA-N 1 0 341.433 1.960 20 5 EDBDRO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000298326486 443746982 /nfs/dbraw/zinc/74/69/82/443746982.db2.gz NNYMLNPUXAKMMG-MRXNPFEDSA-N 1 0 326.393 1.829 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc([N+](=O)[O-])ccc3OC)[C@H]2C1 ZINC000292752786 443834815 /nfs/dbraw/zinc/83/48/15/443834815.db2.gz BGRYVDRODMRSFP-DOTOQJQBSA-N 1 0 335.404 1.898 20 5 EDBDRO C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000292781246 443841831 /nfs/dbraw/zinc/84/18/31/443841831.db2.gz SVQZMBDYCFDCDY-DGCLKSJQSA-N 1 0 334.376 1.112 20 5 EDBDRO O=C1C[C@H]([NH+]2C[C@@H]3CCC[C@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000532049110 320672333 /nfs/dbraw/zinc/67/23/33/320672333.db2.gz WJFGJLZDWIMXJI-HUBLWGQQSA-N 1 0 329.356 1.959 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCN(CCc2cccs2)CC1 ZINC000285209984 443896642 /nfs/dbraw/zinc/89/66/42/443896642.db2.gz VVKFLYNFAZGYNU-UHFFFAOYSA-N 1 0 335.389 1.380 20 5 EDBDRO C[N@H+](CCCOCc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000281273301 443866168 /nfs/dbraw/zinc/86/61/68/443866168.db2.gz FXVFHDXDELZEFO-KRWDZBQOSA-N 1 0 348.403 1.691 20 5 EDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1 ZINC000293077387 443918743 /nfs/dbraw/zinc/91/87/43/443918743.db2.gz VXBONPWVTYEGGN-INIZCTEOSA-N 1 0 331.376 1.558 20 5 EDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000285382914 443963320 /nfs/dbraw/zinc/96/33/20/443963320.db2.gz GUTIAEWLTJRVIC-LBPRGKRZSA-N 1 0 341.433 1.917 20 5 EDBDRO C[N@@H+]1CCN(CCNc2ccc([N+](=O)[O-])c(N)c2F)CC1(C)C ZINC000281637383 443966085 /nfs/dbraw/zinc/96/60/85/443966085.db2.gz LYUVWSASFBLSNB-UHFFFAOYSA-N 1 0 325.388 1.754 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000299204253 443981618 /nfs/dbraw/zinc/98/16/18/443981618.db2.gz GRTJZRDAWVFKJU-FZMZJTMJSA-N 1 0 334.376 1.250 20 5 EDBDRO COC(=O)c1cc(C(=O)N(C)CCC[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000281761147 443998945 /nfs/dbraw/zinc/99/89/45/443998945.db2.gz QFBVPGQBICELPK-UHFFFAOYSA-N 1 0 349.387 1.939 20 5 EDBDRO COC(=O)CC[C@H]([NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000288874185 444003224 /nfs/dbraw/zinc/00/32/24/444003224.db2.gz YUAUCNIGOJJDCB-AWEZNQCLSA-N 1 0 337.376 1.314 20 5 EDBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000277593807 444012595 /nfs/dbraw/zinc/01/25/95/444012595.db2.gz WADYPSGQQVMDOL-HNNXBMFYSA-N 1 0 346.387 1.666 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000277871254 444056194 /nfs/dbraw/zinc/05/61/94/444056194.db2.gz DNAOVVJYCWSCCD-INIZCTEOSA-N 1 0 343.387 1.962 20 5 EDBDRO C[C@H](Cc1cnn(C)c1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000564858355 321151973 /nfs/dbraw/zinc/15/19/73/321151973.db2.gz FRBKFJCBKOOFBT-GFCCVEGCSA-N 1 0 331.376 1.878 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCC3(CCCCC3)O2)c1 ZINC000564864706 321153088 /nfs/dbraw/zinc/15/30/88/321153088.db2.gz SJJOTXKTEKDJDX-HUUCEWRRSA-N 1 0 338.408 1.624 20 5 EDBDRO COc1ccc([C@H](C)CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000567689239 321252914 /nfs/dbraw/zinc/25/29/14/321252914.db2.gz FYPJMTYMQZOFGH-CZUORRHYSA-N 1 0 348.403 1.944 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2cn3ccsc3n2)c1 ZINC000568501193 321294406 /nfs/dbraw/zinc/29/44/06/321294406.db2.gz HAZHHDOJBFNJSQ-ZDUSSCGKSA-N 1 0 348.384 1.834 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2Cc3ccccc3O2)c1 ZINC000569023554 321315506 /nfs/dbraw/zinc/31/55/06/321315506.db2.gz REKIRYDYFXLLKP-WBVHZDCISA-N 1 0 344.367 1.928 20 5 EDBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C2)C1 ZINC000294090326 444101991 /nfs/dbraw/zinc/10/19/91/444101991.db2.gz KDBOZUCBWCEFRV-MRXNPFEDSA-N 1 0 336.367 1.874 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[C@@H]([NH+](C)C)C1 ZINC000301143960 444148755 /nfs/dbraw/zinc/14/87/55/444148755.db2.gz DWHAWXSAYBBBLT-SECBINFHSA-N 1 0 338.320 1.430 20 5 EDBDRO CN(C(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000296265856 444215615 /nfs/dbraw/zinc/21/56/15/444215615.db2.gz OHNLDDXLCUHMEK-IMJJTQAJSA-N 1 0 333.388 1.961 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc3c(n2)CCCC3)c1 ZINC000575916955 321534136 /nfs/dbraw/zinc/53/41/36/321534136.db2.gz CNBPLKWSNICICV-OAHLLOKOSA-N 1 0 331.376 1.216 20 5 EDBDRO Cc1cc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)ncc1[N+](=O)[O-] ZINC000301820828 444192261 /nfs/dbraw/zinc/19/22/61/444192261.db2.gz LSJCFRMXHHJIAR-ZDUSSCGKSA-N 1 0 333.392 1.217 20 5 EDBDRO C[C@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000301885309 444195105 /nfs/dbraw/zinc/19/51/05/444195105.db2.gz LYWOBIDAZILMRD-SNVBAGLBSA-N 1 0 327.406 1.893 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(N3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@H]4C3)nn21 ZINC000302005754 444200107 /nfs/dbraw/zinc/20/01/07/444200107.db2.gz SYXCAFDVKQMCRP-RWMBFGLXSA-N 1 0 328.376 1.558 20 5 EDBDRO O=[N+]([O-])c1ccc(CO)cc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000302075895 444203184 /nfs/dbraw/zinc/20/31/84/444203184.db2.gz XXZZVUZEIJAWNL-AWEZNQCLSA-N 1 0 335.404 2.000 20 5 EDBDRO CC1(C)[C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]2CCO[C@H]21 ZINC000296105419 444205086 /nfs/dbraw/zinc/20/50/86/444205086.db2.gz IBEDRWGNTFFQGR-IAOVAPTHSA-N 1 0 345.399 1.887 20 5 EDBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H](O)CN2CCOCC2)C2CC2)c1 ZINC000305130291 444260058 /nfs/dbraw/zinc/26/00/58/444260058.db2.gz JQXIHJOZPNZRMV-KRWDZBQOSA-N 1 0 335.404 1.252 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000576862917 321602380 /nfs/dbraw/zinc/60/23/80/321602380.db2.gz HDHDYUNSHJLQIF-CTASWTNQSA-N 1 0 336.388 1.882 20 5 EDBDRO C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)c1ccccc1[N+](=O)[O-] ZINC000577229423 321635164 /nfs/dbraw/zinc/63/51/64/321635164.db2.gz JGZWJLBXWCYQGB-GFCCVEGCSA-N 1 0 331.376 1.844 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)c1C ZINC000318768600 444320556 /nfs/dbraw/zinc/32/05/56/444320556.db2.gz AXILOOTUGJEAET-LBPRGKRZSA-N 1 0 327.406 1.632 20 5 EDBDRO CC(C)(C)OC(=O)NCC1(C[NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000297341008 444283322 /nfs/dbraw/zinc/28/33/22/444283322.db2.gz DLXWRZWAYKOAQM-UHFFFAOYSA-N 1 0 339.396 1.686 20 5 EDBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000290522991 444291172 /nfs/dbraw/zinc/29/11/72/444291172.db2.gz WCDMCGPLMSGQLV-GFCCVEGCSA-N 1 0 336.392 1.770 20 5 EDBDRO CC[NH+](CC)CCCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000579066397 321875723 /nfs/dbraw/zinc/87/57/23/321875723.db2.gz MIYCIUZBRXRQMF-UHFFFAOYSA-N 1 0 330.410 1.386 20 5 EDBDRO C[S@@](=O)C1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000579583213 321949848 /nfs/dbraw/zinc/94/98/48/321949848.db2.gz JCDJUHZFJOTDQA-ZAMGYDSWSA-N 1 0 342.417 1.225 20 5 EDBDRO C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000581900534 322230844 /nfs/dbraw/zinc/23/08/44/322230844.db2.gz DKXZGHJTBZLEPS-CQSZACIVSA-N 1 0 332.404 1.585 20 5 EDBDRO O=C(CC[N@@H+]1CC[C@H](N2CCCC2=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000340987890 444617167 /nfs/dbraw/zinc/61/71/67/444617167.db2.gz CHJXJLFZEXKUDF-HNNXBMFYSA-N 1 0 346.387 1.620 20 5 EDBDRO CCn1nccc1CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000338545036 444742297 /nfs/dbraw/zinc/74/22/97/444742297.db2.gz GHNHNMKMUODRQB-ZDUSSCGKSA-N 1 0 330.392 1.935 20 5 EDBDRO COc1cc(C[NH2+][C@@H]2CCC(=O)NC2(C)C)c([N+](=O)[O-])cc1F ZINC000338598207 444766680 /nfs/dbraw/zinc/76/66/80/444766680.db2.gz PTEUCVYXLONZLF-CYBMUJFWSA-N 1 0 325.340 1.889 20 5 EDBDRO CC1(C)NC(=O)CC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000338600872 444769976 /nfs/dbraw/zinc/76/99/76/444769976.db2.gz YXPXRPRMLMKVOO-ZDUSSCGKSA-N 1 0 334.376 1.570 20 5 EDBDRO CC[NH+]1CCN(CCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344168607 444818445 /nfs/dbraw/zinc/81/84/45/444818445.db2.gz BGXJDQJNLVHRJD-UHFFFAOYSA-N 1 0 338.383 1.491 20 5 EDBDRO CC[NH+]1C[C@H](C)N(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344440762 444972561 /nfs/dbraw/zinc/97/25/61/444972561.db2.gz YAQGELGVNZNVPU-KBPBESRZSA-N 1 0 334.420 1.972 20 5 EDBDRO COc1cc(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000330549985 445030626 /nfs/dbraw/zinc/03/06/26/445030626.db2.gz RPZLWCVDSKKZTE-TZMCWYRMSA-N 1 0 339.417 1.721 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000330447056 444984605 /nfs/dbraw/zinc/98/46/05/444984605.db2.gz RPBRKBOUTUKIFI-ZDUSSCGKSA-N 1 0 341.433 1.913 20 5 EDBDRO CO[C@@H]1C[C@H](CN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)[N@H+](C)C1 ZINC000344502666 445017066 /nfs/dbraw/zinc/01/70/66/445017066.db2.gz VPUYPXHGKGYORC-ZIAGYGMSSA-N 1 0 325.340 1.525 20 5 EDBDRO C[NH+](C)C1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000330616541 445064134 /nfs/dbraw/zinc/06/41/34/445064134.db2.gz VYMFEBKZYGPINL-UHFFFAOYSA-N 1 0 343.387 1.947 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000342032559 445134676 /nfs/dbraw/zinc/13/46/76/445134676.db2.gz MPMPQPTVIKWSAG-GUYCJALGSA-N 1 0 346.387 1.489 20 5 EDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342091018 445166894 /nfs/dbraw/zinc/16/68/94/445166894.db2.gz CIJNNMWVSRHHFK-NOXHYTERSA-N 1 0 332.404 1.981 20 5 EDBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346224512 445208725 /nfs/dbraw/zinc/20/87/25/445208725.db2.gz NWKUNOOZBJQGQO-ZOWXZIJZSA-N 1 0 332.404 1.979 20 5 EDBDRO C[C@@H]1[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCC[N@@H+]1C ZINC000343473924 445229741 /nfs/dbraw/zinc/22/97/41/445229741.db2.gz CMQNVIOZAHMNAN-IUODEOHRSA-N 1 0 343.387 1.993 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCSC[C@@H]1CCO ZINC000343565252 445245172 /nfs/dbraw/zinc/24/51/72/445245172.db2.gz HCOIFFSJXZQCIK-QWHCGFSZSA-N 1 0 342.417 1.134 20 5 EDBDRO Cc1nc(NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000348351822 445264970 /nfs/dbraw/zinc/26/49/70/445264970.db2.gz MAXXNIOTCFGZBV-AWEZNQCLSA-N 1 0 335.408 1.653 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000348179700 445306404 /nfs/dbraw/zinc/30/64/04/445306404.db2.gz GPTNABFQHKILGA-ZYHUDNBSSA-N 1 0 325.340 1.747 20 5 EDBDRO C[NH+](C)CCn1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)n1 ZINC000351772543 445316139 /nfs/dbraw/zinc/31/61/39/445316139.db2.gz KMTPRFJXFODWCQ-UHFFFAOYSA-N 1 0 336.327 2.136 20 5 EDBDRO CCC[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[N@@H+]1CCOC ZINC000348120166 445278384 /nfs/dbraw/zinc/27/83/84/445278384.db2.gz CUIURVDKHJCCRF-ZDUSSCGKSA-N 1 0 348.407 1.575 20 5 EDBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCOC1 ZINC000348138462 445286496 /nfs/dbraw/zinc/28/64/96/445286496.db2.gz TVVRKPWFHLIPRA-TZMCWYRMSA-N 1 0 333.388 1.889 20 5 EDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000357034102 445385223 /nfs/dbraw/zinc/38/52/23/445385223.db2.gz HFCNJARDHSJPSN-CHWSQXEVSA-N 1 0 348.403 1.917 20 5 EDBDRO [NH3+][C@H]1CCc2ncc(NC(=O)CCn3cc([N+](=O)[O-])cn3)cc2C1 ZINC000349006287 445473227 /nfs/dbraw/zinc/47/32/27/445473227.db2.gz UBMLBVBTCAYHPP-NSHDSACASA-N 1 0 330.348 1.031 20 5 EDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000362567602 445444314 /nfs/dbraw/zinc/44/43/14/445444314.db2.gz ARPGDHXECWUWQE-LBPRGKRZSA-N 1 0 349.387 1.367 20 5 EDBDRO NC(=O)c1ccc(N2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000362740846 445527113 /nfs/dbraw/zinc/52/71/13/445527113.db2.gz HZIFWVOZCAIJHC-KBPBESRZSA-N 1 0 348.403 1.119 20 5 EDBDRO C[C@H](CCNC(=O)Cn1cnc([N+](=O)[O-])n1)[N@H+](C)Cc1ccccc1 ZINC000349053785 445488680 /nfs/dbraw/zinc/48/86/80/445488680.db2.gz OQQFOMDAATWZPO-CYBMUJFWSA-N 1 0 346.391 1.213 20 5 EDBDRO COc1ccc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000352124202 445507191 /nfs/dbraw/zinc/50/71/91/445507191.db2.gz WKUNYKQDYILIIS-HNNXBMFYSA-N 1 0 325.365 1.036 20 5 EDBDRO CC[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[N@@H+]1C[C@@H](C)O ZINC000357324748 445549302 /nfs/dbraw/zinc/54/93/02/445549302.db2.gz RQGGXXUYMDKFMH-CHWSQXEVSA-N 1 0 345.403 1.819 20 5 EDBDRO CCN1C[C@@H](C)[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000349660534 445638088 /nfs/dbraw/zinc/63/80/88/445638088.db2.gz CIHRCFZLZSIDQK-IUODEOHRSA-N 1 0 341.433 1.298 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349674200 445643804 /nfs/dbraw/zinc/64/38/04/445643804.db2.gz YEULZSLFXVCQFP-HNNXBMFYSA-N 1 0 348.403 1.982 20 5 EDBDRO Cc1c(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000363217926 445726579 /nfs/dbraw/zinc/72/65/79/445726579.db2.gz CXDKGEXUMRVYLI-HNNXBMFYSA-N 1 0 346.431 1.755 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363259296 445744295 /nfs/dbraw/zinc/74/42/95/445744295.db2.gz MYXUEAQLSPBBLE-IHRRRGAJSA-N 1 0 333.392 1.042 20 5 EDBDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000350220510 445794848 /nfs/dbraw/zinc/79/48/48/445794848.db2.gz FZJYYHMDOONSKR-HNNXBMFYSA-N 1 0 326.349 1.661 20 5 EDBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356463230 445804741 /nfs/dbraw/zinc/80/47/41/445804741.db2.gz UVVRGNXWNVSEAB-TXEJJXNPSA-N 1 0 337.424 1.815 20 5 EDBDRO CN1CCc2ncnc(NCCNc3ccc([N+](=O)[O-])cc3)c2C1 ZINC000356680219 445933499 /nfs/dbraw/zinc/93/34/99/445933499.db2.gz VXLDTHZMEGKWLS-UHFFFAOYSA-N 1 0 328.376 1.897 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582229732 325802306 /nfs/dbraw/zinc/80/23/06/325802306.db2.gz WLXUQELQXLTHPF-MRXNPFEDSA-N 1 0 332.360 1.135 20 5 EDBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH+]2CCC1CC2 ZINC000365033144 445983910 /nfs/dbraw/zinc/98/39/10/445983910.db2.gz APZGNPWFVICFRU-UHFFFAOYSA-N 1 0 342.355 1.769 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(NC2CC[NH+](CCC(=O)N(C)C)CC2)n1 ZINC000359100822 445946979 /nfs/dbraw/zinc/94/69/79/445946979.db2.gz QCNSYIJJGYGZJH-UHFFFAOYSA-N 1 0 349.435 1.961 20 5 EDBDRO O=[N+]([O-])c1ccc(OCCCN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000369247475 446020332 /nfs/dbraw/zinc/02/03/32/446020332.db2.gz BRFHGPCGHXYJMJ-ROUUACIJSA-N 1 0 349.431 1.895 20 5 EDBDRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351228200 446014955 /nfs/dbraw/zinc/01/49/55/446014955.db2.gz OUAWHWAWDQUGSB-UHFFFAOYSA-N 1 0 340.355 1.519 20 5 EDBDRO CO[C@@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000359223583 446054151 /nfs/dbraw/zinc/05/41/51/446054151.db2.gz DWDBBYHGQZFHAA-CHWSQXEVSA-N 1 0 339.417 1.652 20 5 EDBDRO C[C@H]1C[N@H+](C[C@@H]2CN(C)CCO2)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000361930769 446079770 /nfs/dbraw/zinc/07/97/70/446079770.db2.gz XEBFNLHOPLMVQU-RDJZCZTQSA-N 1 0 348.447 1.432 20 5 EDBDRO C[C@@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000361931070 446079992 /nfs/dbraw/zinc/07/99/92/446079992.db2.gz XUZHVSHMSMMSTB-CRAIPNDOSA-N 1 0 348.447 1.432 20 5 EDBDRO C[C@H]1C[N@H+](C[C@@H]2CN(C)CCO2)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000361931073 446080453 /nfs/dbraw/zinc/08/04/53/446080453.db2.gz XUZHVSHMSMMSTB-YJBOKZPZSA-N 1 0 348.447 1.432 20 5 EDBDRO C[N@H+](CCO)C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000351484309 446083655 /nfs/dbraw/zinc/08/36/55/446083655.db2.gz CXRGYCGBLKKXNP-UHFFFAOYSA-N 1 0 325.340 1.263 20 5 EDBDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000351503790 446108620 /nfs/dbraw/zinc/10/86/20/446108620.db2.gz TZBJAKUPYJIBJY-GJZGRUSLSA-N 1 0 342.417 1.509 20 5 EDBDRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000351504058 446110316 /nfs/dbraw/zinc/11/03/16/446110316.db2.gz UISUSTWHYPKQGH-ZANVPECISA-N 1 0 338.339 1.081 20 5 EDBDRO Cc1cc(NC[C@]2(N3CCOCC3)CCCOC2)ncc1[N+](=O)[O-] ZINC000370573256 446336867 /nfs/dbraw/zinc/33/68/67/446336867.db2.gz BFBSLPBZLQSLMC-MRXNPFEDSA-N 1 0 336.392 1.592 20 5 EDBDRO O=C([C@H]1C[NH+]2CCC1CC2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000370613201 446358002 /nfs/dbraw/zinc/35/80/02/446358002.db2.gz XGVAIEMSPKHYHA-KRWDZBQOSA-N 1 0 344.415 1.585 20 5 EDBDRO C[C@H](NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1[N+](=O)[O-] ZINC000417977779 446405551 /nfs/dbraw/zinc/40/55/51/446405551.db2.gz HNNMZVLMAREQOD-UONOGXRCSA-N 1 0 347.419 1.345 20 5 EDBDRO COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000374866143 446424407 /nfs/dbraw/zinc/42/44/07/446424407.db2.gz UOUAZMUXMVABKS-VVLHAWIVSA-N 1 0 345.399 1.754 20 5 EDBDRO [NH3+]CC[C@@H]1CCCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420316503 446481665 /nfs/dbraw/zinc/48/16/65/446481665.db2.gz SVIPNOCGVQVDSI-ZDUSSCGKSA-N 1 0 341.433 1.429 20 5 EDBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000376407461 446479306 /nfs/dbraw/zinc/47/93/06/446479306.db2.gz MLQAGKDICPBRKX-RYRKJORJSA-N 1 0 329.400 1.776 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000376470064 446514723 /nfs/dbraw/zinc/51/47/23/446514723.db2.gz YKQOZUZKGHIVBP-QGZVFWFLSA-N 1 0 349.387 1.779 20 5 EDBDRO COc1ccc(NC(=O)CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000420348078 446523731 /nfs/dbraw/zinc/52/37/31/446523731.db2.gz JLIGNQDDKJANHG-TXEJJXNPSA-N 1 0 334.376 1.368 20 5 EDBDRO CC(C)(C)[C@H](CN)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000420357904 446537595 /nfs/dbraw/zinc/53/75/95/446537595.db2.gz ICDKJTDEVCDQKD-AWEZNQCLSA-N 1 0 336.392 1.856 20 5 EDBDRO C[C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000420395185 446570123 /nfs/dbraw/zinc/57/01/23/446570123.db2.gz CZUYALMVMKKVBD-GXTWGEPZSA-N 1 0 332.404 1.401 20 5 EDBDRO C[C@@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1C[NH3+] ZINC000420398268 446571696 /nfs/dbraw/zinc/57/16/96/446571696.db2.gz GUZFMGBCNCDDPX-DVOMOZLQSA-N 1 0 332.404 1.617 20 5 EDBDRO Cc1c(NC(=O)[C@@H](C)N2CCCO[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000420398075 446571719 /nfs/dbraw/zinc/57/17/19/446571719.db2.gz YJAQLZCYOOWASN-CHWSQXEVSA-N 1 0 336.392 1.280 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c1 ZINC000420423668 446598502 /nfs/dbraw/zinc/59/85/02/446598502.db2.gz NIRHAOTYODAOIP-MNOVXSKESA-N 1 0 327.406 1.583 20 5 EDBDRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000420424449 446598889 /nfs/dbraw/zinc/59/88/89/446598889.db2.gz NYKAJBHDXKXJPH-QWHCGFSZSA-N 1 0 327.406 1.327 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000420425304 446599305 /nfs/dbraw/zinc/59/93/05/446599305.db2.gz PABBTGQGHCKKLJ-CYBMUJFWSA-N 1 0 339.417 1.727 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000420463292 446641487 /nfs/dbraw/zinc/64/14/87/446641487.db2.gz RUOJNAUYBRSYJB-IAQYHMDHSA-N 1 0 341.433 1.817 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000420470913 446647015 /nfs/dbraw/zinc/64/70/15/446647015.db2.gz QYKGODVMAVVOMX-NWDGAFQWSA-N 1 0 327.406 1.699 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420482465 446651176 /nfs/dbraw/zinc/65/11/76/446651176.db2.gz UJKZSVROXCAWBQ-GWCFXTLKSA-N 1 0 341.433 1.817 20 5 EDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000423739510 446669143 /nfs/dbraw/zinc/66/91/43/446669143.db2.gz IHIMPHGSAZTOIA-QWHCGFSZSA-N 1 0 348.403 1.289 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000420447043 446622670 /nfs/dbraw/zinc/62/26/70/446622670.db2.gz ISMPPNYWRSDMMQ-UHFFFAOYSA-N 1 0 327.406 1.632 20 5 EDBDRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423658289 446627672 /nfs/dbraw/zinc/62/76/72/446627672.db2.gz CWZGJAIQTNHXDX-MWLCHTKSSA-N 1 0 327.768 1.965 20 5 EDBDRO NC(=O)c1cccc([N+](=O)[O-])c1NCC1([NH+]2CCCC2)CCOCC1 ZINC000420587855 446692559 /nfs/dbraw/zinc/69/25/59/446692559.db2.gz RDAPIZGFWBPGDO-UHFFFAOYSA-N 1 0 348.403 1.751 20 5 EDBDRO CCCc1n[nH]c(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000371235286 446707408 /nfs/dbraw/zinc/70/74/08/446707408.db2.gz JQNHNLWNBQFZJJ-NWDGAFQWSA-N 1 0 335.408 1.875 20 5 EDBDRO [NH3+][C@H](CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000423827081 446716677 /nfs/dbraw/zinc/71/66/77/446716677.db2.gz NJFPUQHMZZQKGA-OAHLLOKOSA-N 1 0 326.356 1.965 20 5 EDBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3c[nH]c4nccnc34)C2)c1 ZINC000368227400 446722796 /nfs/dbraw/zinc/72/27/96/446722796.db2.gz QTJPBOPWCVLRSC-GFCCVEGCSA-N 1 0 327.348 1.851 20 5 EDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411940862 446751809 /nfs/dbraw/zinc/75/18/09/446751809.db2.gz KVDCONYBYQDQES-NWDGAFQWSA-N 1 0 334.376 1.332 20 5 EDBDRO O=C1[C@H]([NH2+][C@H](CO)[C@H]2CCCOC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000411999278 446781046 /nfs/dbraw/zinc/78/10/46/446781046.db2.gz XGWSZLCXILDLKN-APHBMKBZSA-N 1 0 349.387 1.077 20 5 EDBDRO [NH3+]C[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CCCC1 ZINC000423958077 446797982 /nfs/dbraw/zinc/79/79/82/446797982.db2.gz MGFJQBPJBZAKLH-AWEZNQCLSA-N 1 0 344.375 1.423 20 5 EDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc2n1CCOC2 ZINC000375447680 446805380 /nfs/dbraw/zinc/80/53/80/446805380.db2.gz NHAGAYNYRBAGPG-GFCCVEGCSA-N 1 0 331.376 1.827 20 5 EDBDRO CC[NH+](CC)CCNC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000376938647 446809294 /nfs/dbraw/zinc/80/92/94/446809294.db2.gz CDKUDYVYVJPPDS-ZDUSSCGKSA-N 1 0 338.412 1.480 20 5 EDBDRO NC(=O)[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000375507739 446857987 /nfs/dbraw/zinc/85/79/87/446857987.db2.gz YDGFUOYAUDVKSS-VXGBXAGGSA-N 1 0 347.293 1.569 20 5 EDBDRO C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)C[N@@H+]1CCO ZINC000419002005 446859389 /nfs/dbraw/zinc/85/93/89/446859389.db2.gz LWIJABYPMDOFEA-NEPJUHHUSA-N 1 0 347.375 1.536 20 5 EDBDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000377039007 446878412 /nfs/dbraw/zinc/87/84/12/446878412.db2.gz CWUXJLXDVQTRKF-QQFIATSDSA-N 1 0 335.326 1.573 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c1F ZINC000412234225 446908174 /nfs/dbraw/zinc/90/81/74/446908174.db2.gz YOJUZCDLOQNADX-WDEREUQCSA-N 1 0 339.367 1.836 20 5 EDBDRO C[C@@H]1C[C@H](C[NH3+])CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000442758408 446953794 /nfs/dbraw/zinc/95/37/94/446953794.db2.gz AVHFNLIXOQJTJO-NXEZZACHSA-N 1 0 326.784 1.856 20 5 EDBDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000368792175 447108635 /nfs/dbraw/zinc/10/86/35/447108635.db2.gz NXARSKDKBKARSQ-INIZCTEOSA-N 1 0 327.344 1.387 20 5 EDBDRO CN(C)c1ncc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1C ZINC000425333366 447120846 /nfs/dbraw/zinc/12/08/46/447120846.db2.gz FEKOOUAKBCYYSA-UHFFFAOYSA-N 1 0 333.396 1.428 20 5 EDBDRO CNC(=O)[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000421391805 447148058 /nfs/dbraw/zinc/14/80/58/447148058.db2.gz UNCJKOPSVDASFT-ZDUSSCGKSA-N 1 0 343.387 1.563 20 5 EDBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000375931956 447159217 /nfs/dbraw/zinc/15/92/17/447159217.db2.gz KHOAYLFDLCUSKA-LRDDRELGSA-N 1 0 341.371 1.605 20 5 EDBDRO Cc1cnc(NCC2(N3CCOCC3)CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000413483203 447195629 /nfs/dbraw/zinc/19/56/29/447195629.db2.gz RGSSAGXLUQIZDO-UHFFFAOYSA-N 1 0 349.435 1.507 20 5 EDBDRO NC(=O)c1ccc(NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000368998046 447256157 /nfs/dbraw/zinc/25/61/57/447256157.db2.gz CXCPFSGTOKFDHS-ZFWWWQNUSA-N 1 0 348.403 1.607 20 5 EDBDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415498921 447482526 /nfs/dbraw/zinc/48/25/26/447482526.db2.gz NUKXNFXZMZNLBK-SECBINFHSA-N 1 0 342.783 1.820 20 5 EDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000426976702 447523528 /nfs/dbraw/zinc/52/35/28/447523528.db2.gz YLDCZYXZJNUXNR-CHWSQXEVSA-N 1 0 338.412 1.306 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000450793485 447578746 /nfs/dbraw/zinc/57/87/46/447578746.db2.gz PPGOOOCGBYPDAX-BETUJISGSA-N 1 0 335.360 1.657 20 5 EDBDRO COc1c(C(=O)NC[C@@](C)(O)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000420000066 447538183 /nfs/dbraw/zinc/53/81/83/447538183.db2.gz PEPHQSSPRIDUKN-HNNXBMFYSA-N 1 0 325.365 1.036 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000450734315 447560823 /nfs/dbraw/zinc/56/08/23/447560823.db2.gz VNXANVHQPQBGFH-AXFHLTTASA-N 1 0 325.365 1.537 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000427621373 447622827 /nfs/dbraw/zinc/62/28/27/447622827.db2.gz NEZOEKOMBIXCPN-CMPLNLGQSA-N 1 0 335.360 1.023 20 5 EDBDRO CN(c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000420139846 447629915 /nfs/dbraw/zinc/62/99/15/447629915.db2.gz OYOZNAGGBFBWDG-UHFFFAOYSA-N 1 0 343.387 1.748 20 5 EDBDRO C[C@@H]1C[NH2+]CCN1c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000420167679 447651005 /nfs/dbraw/zinc/65/10/05/447651005.db2.gz JZMLGXSZFFPTQP-SNVBAGLBSA-N 1 0 349.778 1.592 20 5 EDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000428449977 447702124 /nfs/dbraw/zinc/70/21/24/447702124.db2.gz UQBXHHKKNPKGSB-GFCCVEGCSA-N 1 0 329.360 1.429 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCC4(CC[NH2+]4)CC3)n2)cc1 ZINC000422624991 447675249 /nfs/dbraw/zinc/67/52/49/447675249.db2.gz AGWWMROOIXNMLA-UHFFFAOYSA-N 1 0 329.360 1.973 20 5 EDBDRO O=C(NC1CC1)c1ccc(N2CC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420229531 447678843 /nfs/dbraw/zinc/67/88/43/447678843.db2.gz NXNXSSLFOUAWFO-QGZVFWFLSA-N 1 0 330.388 1.677 20 5 EDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000429130411 447730338 /nfs/dbraw/zinc/73/03/38/447730338.db2.gz HFCLNZKSOSBJHC-CMPLNLGQSA-N 1 0 335.360 1.152 20 5 EDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000451917632 447783402 /nfs/dbraw/zinc/78/34/02/447783402.db2.gz NLJYPKKFSQGWFK-HOCLYGCPSA-N 1 0 346.431 1.942 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC000451927713 447786455 /nfs/dbraw/zinc/78/64/55/447786455.db2.gz KWUVUGNHXKDPIA-YHWZYXNKSA-N 1 0 339.417 1.807 20 5 EDBDRO COC(=O)[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1c1ccccc1 ZINC000452004716 447800289 /nfs/dbraw/zinc/80/02/89/447800289.db2.gz KXKNCAZKTNSLIG-GJZGRUSLSA-N 1 0 344.371 1.680 20 5 EDBDRO CCN1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@@H](C)C1 ZINC000552982869 447966451 /nfs/dbraw/zinc/96/64/51/447966451.db2.gz HZFNKPHOPQXGNM-NSHDSACASA-N 1 0 335.360 1.532 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@@H+]1C ZINC000525104921 447969142 /nfs/dbraw/zinc/96/91/42/447969142.db2.gz HPKHPWVKGSUFSP-GHMZBOCLSA-N 1 0 335.360 1.579 20 5 EDBDRO CC[C@H]1CN(C)CCN1C(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000571620431 448179874 /nfs/dbraw/zinc/17/98/74/448179874.db2.gz FBNWDTMZBSVZJE-ZDUSSCGKSA-N 1 0 348.403 1.703 20 5 EDBDRO COc1ccc(CC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000532080067 448197142 /nfs/dbraw/zinc/19/71/42/448197142.db2.gz INCKKQKTSRUXNZ-BXUZGUMPSA-N 1 0 333.388 1.745 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000591028970 448238953 /nfs/dbraw/zinc/23/89/53/448238953.db2.gz MMHVWMFLPKQEHV-DOMZBBRYSA-N 1 0 346.387 1.313 20 5 EDBDRO C[C@@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000582580644 448278417 /nfs/dbraw/zinc/27/84/17/448278417.db2.gz VCJHAZQPYIEART-CABCVRRESA-N 1 0 347.415 1.879 20 5 EDBDRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000515432480 448312679 /nfs/dbraw/zinc/31/26/79/448312679.db2.gz FJMDZSVWSMXWBF-ZWNOBZJWSA-N 1 0 325.390 1.206 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cccc1[N+](=O)[O-] ZINC000591304574 448315600 /nfs/dbraw/zinc/31/56/00/448315600.db2.gz JZTABVRQZNQUJD-DGCLKSJQSA-N 1 0 332.360 1.052 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591305186 448316778 /nfs/dbraw/zinc/31/67/78/448316778.db2.gz XULKRVJPNGVYQJ-OLZOCXBDSA-N 1 0 346.387 1.361 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591305187 448316883 /nfs/dbraw/zinc/31/68/83/448316883.db2.gz XULKRVJPNGVYQJ-QWHCGFSZSA-N 1 0 346.387 1.361 20 5 EDBDRO C[C@]1(F)C[NH2+]CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000591442131 448364745 /nfs/dbraw/zinc/36/47/45/448364745.db2.gz DPFHVSJPBDLOED-NSHDSACASA-N 1 0 333.161 1.890 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(CCO)CC1 ZINC000533280053 448381193 /nfs/dbraw/zinc/38/11/93/448381193.db2.gz IZVVBTGBWGDAPY-UHFFFAOYSA-N 1 0 349.387 1.987 20 5 EDBDRO CS(=O)(=O)CCCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591638002 448424631 /nfs/dbraw/zinc/42/46/31/448424631.db2.gz KMYGJGPAVSWSIC-UHFFFAOYSA-N 1 0 344.389 1.280 20 5 EDBDRO CN1CCN(c2cc[nH+]cc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000516624975 448450620 /nfs/dbraw/zinc/45/06/20/448450620.db2.gz GOXRSVGUZCMXMF-UHFFFAOYSA-N 1 0 341.371 1.994 20 5 EDBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000591758895 448483247 /nfs/dbraw/zinc/48/32/47/448483247.db2.gz RSZXTIWNKSLMLP-DOMZBBRYSA-N 1 0 342.417 1.916 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000578235464 448495752 /nfs/dbraw/zinc/49/57/52/448495752.db2.gz FTWNVLQORCDGFK-KRWDZBQOSA-N 1 0 347.371 1.582 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)cn1 ZINC000535720444 448502847 /nfs/dbraw/zinc/50/28/47/448502847.db2.gz DHZNGAFRUXXRKX-QGZVFWFLSA-N 1 0 342.399 1.715 20 5 EDBDRO CC[C@@H]1C[N@H+](C)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000584406716 448514392 /nfs/dbraw/zinc/51/43/92/448514392.db2.gz BJKPXXPTBXENNU-CQSZACIVSA-N 1 0 332.404 1.510 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000573111238 448546630 /nfs/dbraw/zinc/54/66/30/448546630.db2.gz OQFZBWLETQIAKG-QLFBSQMISA-N 1 0 335.404 1.551 20 5 EDBDRO CC(C)Oc1nc(NC[C@@H](C)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000584729853 448613655 /nfs/dbraw/zinc/61/36/55/448613655.db2.gz GPIIFWGDKDYDAB-CYBMUJFWSA-N 1 0 337.424 1.825 20 5 EDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000539921135 448624779 /nfs/dbraw/zinc/62/47/79/448624779.db2.gz QRVZEZWNSAOLQV-GFCCVEGCSA-N 1 0 339.392 1.426 20 5 EDBDRO COc1cc(CCNC(=O)CCCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000591939169 448591198 /nfs/dbraw/zinc/59/11/98/448591198.db2.gz NXEAKCRCGKFIBN-UHFFFAOYSA-N 1 0 325.365 1.400 20 5 EDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1=CC[N@H+](C)CC1 ZINC000540968588 448660695 /nfs/dbraw/zinc/66/06/95/448660695.db2.gz STEPHDLMHWEREZ-NSHDSACASA-N 1 0 347.371 1.746 20 5 EDBDRO C[NH+]1CCC2(CC1)CN(CCOc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000592183142 448725507 /nfs/dbraw/zinc/72/55/07/448725507.db2.gz RPWXBASGMROQHT-UHFFFAOYSA-N 1 0 335.404 1.770 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000592379130 448811346 /nfs/dbraw/zinc/81/13/46/448811346.db2.gz HJQVZNRYOWCDTK-GFCCVEGCSA-N 1 0 343.405 1.222 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000592381578 448813729 /nfs/dbraw/zinc/81/37/29/448813729.db2.gz XIOYFLYIRIMUSA-OCCSQVGLSA-N 1 0 339.417 1.530 20 5 EDBDRO CC[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1[NH3+] ZINC000592332615 448795209 /nfs/dbraw/zinc/79/52/09/448795209.db2.gz OMCNUORGEVNOCK-WFASDCNBSA-N 1 0 343.387 1.980 20 5 EDBDRO COc1cc(CCNC(=O)CC[NH2+]C2CC2)c([N+](=O)[O-])cc1OC ZINC000574414213 448869373 /nfs/dbraw/zinc/86/93/73/448869373.db2.gz LDKSABGWPXEHEC-UHFFFAOYSA-N 1 0 337.376 1.413 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000574462350 448880310 /nfs/dbraw/zinc/88/03/10/448880310.db2.gz GGUCMPMWTGVRGY-ZWNOBZJWSA-N 1 0 335.360 1.723 20 5 EDBDRO O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000592538799 448888637 /nfs/dbraw/zinc/88/86/37/448888637.db2.gz RCDIMRJUCSMKNW-LYRGGWFBSA-N 1 0 331.372 1.715 20 5 EDBDRO CN(CC[NH3+])C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000520394947 448891211 /nfs/dbraw/zinc/89/12/11/448891211.db2.gz GQBUUSOXNGELGE-UHFFFAOYSA-N 1 0 349.128 1.230 20 5 EDBDRO COC(=O)COc1ccc(C[N@H+](C)C[C@@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000589196948 448986185 /nfs/dbraw/zinc/98/61/85/448986185.db2.gz PNSXCDYIIFCGQT-CQSZACIVSA-N 1 0 338.360 1.349 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[NH+](CC3CC3)CC2)c1 ZINC000589495791 449025531 /nfs/dbraw/zinc/02/55/31/449025531.db2.gz NSTPEFINHDKCQL-UHFFFAOYSA-N 1 0 333.388 1.909 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000575344317 449082611 /nfs/dbraw/zinc/08/26/11/449082611.db2.gz YKXNTZIEXAPXTJ-CYBMUJFWSA-N 1 0 348.403 1.608 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](CO)C2CCC2)c([N+](=O)[O-])c1 ZINC000595618456 449083546 /nfs/dbraw/zinc/08/35/46/449083546.db2.gz YFDLCVKEAOORGR-AWEZNQCLSA-N 1 0 337.376 1.683 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000589930118 449084347 /nfs/dbraw/zinc/08/43/47/449084347.db2.gz STDWPWGCBLZGNA-BXUZGUMPSA-N 1 0 325.390 1.061 20 5 EDBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000582249272 449048036 /nfs/dbraw/zinc/04/80/36/449048036.db2.gz JRVHNHQHAZTBBD-NEPJUHHUSA-N 1 0 327.768 1.936 20 5 EDBDRO C[C@@H](CO)C1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000593081327 449126258 /nfs/dbraw/zinc/12/62/58/449126258.db2.gz CHRTWHJXZJNYAC-XJKSGUPXSA-N 1 0 338.404 1.675 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590334098 449133705 /nfs/dbraw/zinc/13/37/05/449133705.db2.gz CPGHOIQPFLDMOQ-VXGBXAGGSA-N 1 0 335.360 1.579 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000599892513 449102332 /nfs/dbraw/zinc/10/23/32/449102332.db2.gz ZGCADKUPSHZCOB-ZDUSSCGKSA-N 1 0 332.360 1.243 20 5 EDBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593026301 449106867 /nfs/dbraw/zinc/10/68/67/449106867.db2.gz YWHQEFJEGSRHCI-HIFRSBDPSA-N 1 0 338.360 1.665 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cccc1[N+](=O)[O-] ZINC000593104223 449136730 /nfs/dbraw/zinc/13/67/30/449136730.db2.gz XUEFLEWICSZGQN-RSPIHXBNSA-N 1 0 337.401 1.437 20 5 EDBDRO COc1ccc2c(c1)CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595760138 449152829 /nfs/dbraw/zinc/15/28/29/449152829.db2.gz RJOFMDSQSAOLJM-HNNXBMFYSA-N 1 0 332.360 1.219 20 5 EDBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCCc1ccccc1[N+](=O)[O-])C2 ZINC000593707356 449154554 /nfs/dbraw/zinc/15/45/54/449154554.db2.gz XMKBJXQOBNIQQU-YOEHRIQHSA-N 1 0 332.404 1.908 20 5 EDBDRO Cc1c(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000600036639 449155848 /nfs/dbraw/zinc/15/58/48/449155848.db2.gz UKNHNIFRRATKNX-CYBMUJFWSA-N 1 0 348.403 1.690 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000593732018 449167144 /nfs/dbraw/zinc/16/71/44/449167144.db2.gz GDVHGSUXLIAFIY-UHFFFAOYSA-N 1 0 341.433 1.446 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000595791514 449168368 /nfs/dbraw/zinc/16/83/68/449168368.db2.gz VBANVTJVXROPBO-BMFZPTHFSA-N 1 0 338.408 1.433 20 5 EDBDRO O=C(CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595735613 449137974 /nfs/dbraw/zinc/13/79/74/449137974.db2.gz BLIOWPHBVPYCKW-WFASDCNBSA-N 1 0 346.387 1.524 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593130527 449146983 /nfs/dbraw/zinc/14/69/83/449146983.db2.gz AEODNWSMTNLPCT-UHFFFAOYSA-N 1 0 349.391 1.141 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000593900291 449272439 /nfs/dbraw/zinc/27/24/39/449272439.db2.gz NEPKIQZALCJCDP-OAHLLOKOSA-N 1 0 343.387 1.630 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3C[C@@H](CO)[C@H](CO)C3)o2)cc1 ZINC000600192383 449236237 /nfs/dbraw/zinc/23/62/37/449236237.db2.gz QQLZJWIBDSOSFH-KBPBESRZSA-N 1 0 332.356 1.887 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601958284 449245396 /nfs/dbraw/zinc/24/53/96/449245396.db2.gz ZVWCEXOBSQXFJL-KRWDZBQOSA-N 1 0 329.356 1.394 20 5 EDBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000604531895 449247833 /nfs/dbraw/zinc/24/78/33/449247833.db2.gz FGZFWWQFLSBTQH-GASCZTMLSA-N 1 0 333.436 1.985 20 5 EDBDRO O=[N+]([O-])c1ccc(OCCCN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595869734 449221074 /nfs/dbraw/zinc/22/10/74/449221074.db2.gz XYVPZVXUOZGUJE-QGZVFWFLSA-N 1 0 349.431 1.895 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000593921298 449288389 /nfs/dbraw/zinc/28/83/89/449288389.db2.gz ULYBBXHKZREUPN-UWVGGRQHSA-N 1 0 329.378 1.104 20 5 EDBDRO O=C(C[NH2+]C1(CO)CCCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000611462805 449297164 /nfs/dbraw/zinc/29/71/64/449297164.db2.gz ATJHPCZKCRDTJU-UHFFFAOYSA-N 1 0 333.388 1.769 20 5 EDBDRO Cc1nn(C)c(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598221497 449297261 /nfs/dbraw/zinc/29/72/61/449297261.db2.gz WESJKWGKQKTNIF-LBPRGKRZSA-N 1 0 335.408 1.774 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)[C@H]2C1 ZINC000611521639 449319366 /nfs/dbraw/zinc/31/93/66/449319366.db2.gz ONLFYBBETAFGPD-WFASDCNBSA-N 1 0 333.388 1.892 20 5 EDBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000595952067 449276660 /nfs/dbraw/zinc/27/66/60/449276660.db2.gz XHGASWNRBQVULF-CYBMUJFWSA-N 1 0 343.405 1.102 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593911931 449280948 /nfs/dbraw/zinc/28/09/48/449280948.db2.gz JSXHEEKQTFGIAL-SLEUVZQESA-N 1 0 348.403 1.536 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593912761 449281370 /nfs/dbraw/zinc/28/13/70/449281370.db2.gz PBXCPXIWVJMDPE-ZOWXZIJZSA-N 1 0 336.392 1.292 20 5 EDBDRO Cn1cc(C(=O)NCCC2(C[NH3+])CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593915445 449283363 /nfs/dbraw/zinc/28/33/63/449283363.db2.gz YRWYIPZSWVVWRO-UHFFFAOYSA-N 1 0 343.387 1.854 20 5 EDBDRO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000602102628 449347506 /nfs/dbraw/zinc/34/75/06/449347506.db2.gz QYVPNBPIPTUNER-QWHCGFSZSA-N 1 0 333.392 1.344 20 5 EDBDRO C[NH+](C)CCN1CCC(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596076764 449351293 /nfs/dbraw/zinc/35/12/93/449351293.db2.gz PGGYXZVFIXNFML-UHFFFAOYSA-N 1 0 335.408 1.132 20 5 EDBDRO C[C@H]1CCCC[N@@H+]1CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596078014 449352553 /nfs/dbraw/zinc/35/25/53/449352553.db2.gz YFOHVNNLEKVXGT-NSHDSACASA-N 1 0 342.421 1.529 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000596048690 449335722 /nfs/dbraw/zinc/33/57/22/449335722.db2.gz BVYPNVDDZSGYGG-SNVBAGLBSA-N 1 0 341.311 1.413 20 5 EDBDRO CCCNC(=O)CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000611560239 449336629 /nfs/dbraw/zinc/33/66/29/449336629.db2.gz DDWZJSJKDVFGFQ-OAHLLOKOSA-N 1 0 331.376 1.534 20 5 EDBDRO CC(C)OC(=O)C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000594046376 449336742 /nfs/dbraw/zinc/33/67/42/449336742.db2.gz RENNYITVWULRLQ-AWEZNQCLSA-N 1 0 339.392 1.712 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000596053391 449338192 /nfs/dbraw/zinc/33/81/92/449338192.db2.gz ZIIOOGWZFFINFZ-JTQLQIEISA-N 1 0 341.311 1.413 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCCOCC[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000598607786 449490203 /nfs/dbraw/zinc/49/02/03/449490203.db2.gz PCXCANUWBYEYSW-UHFFFAOYSA-N 1 0 345.421 1.068 20 5 EDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594394256 449490940 /nfs/dbraw/zinc/49/09/40/449490940.db2.gz VZEHYRUEMPLYFU-JKSUJKDBSA-N 1 0 348.403 1.064 20 5 EDBDRO COc1cc(OCC(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)ccc1[N+](=O)[O-] ZINC000598669612 449530640 /nfs/dbraw/zinc/53/06/40/449530640.db2.gz JVCZNPOJTFKTHD-BDJLRTHQSA-N 1 0 335.360 1.322 20 5 EDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1ccn(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000598669301 449530673 /nfs/dbraw/zinc/53/06/73/449530673.db2.gz GZPVTRNNVGYTMW-SJCJKPOMSA-N 1 0 341.371 1.734 20 5 EDBDRO [NH3+][C@]12CCC[C@@H]1CN(Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C2 ZINC000598680742 449539889 /nfs/dbraw/zinc/53/98/89/449539889.db2.gz CKLHEEHAXYCXSS-WBMJQRKESA-N 1 0 329.360 1.958 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3COCC[NH2+]3)cs2)c1 ZINC000600777552 449543672 /nfs/dbraw/zinc/54/36/72/449543672.db2.gz UYQXHJYWJSZRRR-LBPRGKRZSA-N 1 0 334.401 1.796 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)nc1 ZINC000594484589 449547716 /nfs/dbraw/zinc/54/77/16/449547716.db2.gz VHYLLRPHRPWSNT-CHWSQXEVSA-N 1 0 340.405 1.285 20 5 EDBDRO CCOc1cc(CN2CC[NH+](C(C)(C)CO)CC2)ccc1[N+](=O)[O-] ZINC000617212577 449507319 /nfs/dbraw/zinc/50/73/19/449507319.db2.gz PRIPBEJBVWBPRM-UHFFFAOYSA-N 1 0 337.420 1.882 20 5 EDBDRO Cc1cc(N(CC[NH+](C)C)CC(=O)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000596462098 449515347 /nfs/dbraw/zinc/51/53/47/449515347.db2.gz LGZRNJMHEQAAMB-UHFFFAOYSA-N 1 0 326.372 1.499 20 5 EDBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H]1OC ZINC000614247614 449523806 /nfs/dbraw/zinc/52/38/06/449523806.db2.gz BOVXKLGAGQCZOI-XZJROXQQSA-N 1 0 338.360 1.648 20 5 EDBDRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000598724660 449565314 /nfs/dbraw/zinc/56/53/14/449565314.db2.gz LHUZYJUKULLOJV-TVQRCGJNSA-N 1 0 345.808 1.750 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c(C)c1[N+](=O)[O-] ZINC000598716248 449559625 /nfs/dbraw/zinc/55/96/25/449559625.db2.gz DTSWESPTGPKRGP-ZWNOBZJWSA-N 1 0 341.433 1.960 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598720299 449561566 /nfs/dbraw/zinc/56/15/66/449561566.db2.gz OEKJEKQDIXTYNG-BXUZGUMPSA-N 1 0 325.390 1.405 20 5 EDBDRO CO[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@](C)(C[NH3+])C1 ZINC000600885752 449586257 /nfs/dbraw/zinc/58/62/57/449586257.db2.gz NBNXFSDIOQDSNJ-JSGCOSHPSA-N 1 0 327.768 1.827 20 5 EDBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ncccc2[N+](=O)[O-])C[C@H]1C ZINC000594760794 449674689 /nfs/dbraw/zinc/67/46/89/449674689.db2.gz SYDRWXPJBNKTQG-VXGBXAGGSA-N 1 0 342.421 1.483 20 5 EDBDRO COc1ccc(CSCC(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000602571385 449681146 /nfs/dbraw/zinc/68/11/46/449681146.db2.gz LQFYNNCLAMXRFP-CMPLNLGQSA-N 1 0 339.417 1.703 20 5 EDBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602497698 449631821 /nfs/dbraw/zinc/63/18/21/449631821.db2.gz VOQUHAHFLMWYMU-HNNXBMFYSA-N 1 0 333.388 1.511 20 5 EDBDRO O=C(NC[C@H]1C[NH2+]CCCO1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602497699 449632434 /nfs/dbraw/zinc/63/24/34/449632434.db2.gz VOQUHAHFLMWYMU-OAHLLOKOSA-N 1 0 333.388 1.511 20 5 EDBDRO CC[N@@H+]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000598905751 449641154 /nfs/dbraw/zinc/64/11/54/449641154.db2.gz MTLBLPSWOHQQHO-GFCCVEGCSA-N 1 0 349.391 1.269 20 5 EDBDRO O=[N+]([O-])c1ccc2ncnc(NC3CC(N4CCOCC4)C3)c2c1 ZINC000599095095 449729075 /nfs/dbraw/zinc/72/90/75/449729075.db2.gz QXKZXNDWZPQPPY-UHFFFAOYSA-N 1 0 329.360 1.813 20 5 EDBDRO CN1CC[C@@H]([NH+]2CCC(Nc3ccc(F)cc3[N+](=O)[O-])CC2)C1=O ZINC000601177677 449735900 /nfs/dbraw/zinc/73/59/00/449735900.db2.gz YXQNUUWLPLXPCX-CQSZACIVSA-N 1 0 336.367 1.841 20 5 EDBDRO O=[N+]([O-])c1cc(F)ccc1N1CCN(CCc2cnccn2)CC1 ZINC000601253445 449776354 /nfs/dbraw/zinc/77/63/54/449776354.db2.gz NWAKFGVRHRAOAS-UHFFFAOYSA-N 1 0 331.351 1.889 20 5 EDBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599175654 449780716 /nfs/dbraw/zinc/78/07/16/449780716.db2.gz GTTCTFRAVHCVNU-LLVKDONJSA-N 1 0 341.339 1.389 20 5 EDBDRO C[C@@H](Cc1ccncc1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612576091 449782412 /nfs/dbraw/zinc/78/24/12/449782412.db2.gz DPQCTQZQKBNLFI-ZDUSSCGKSA-N 1 0 349.412 1.984 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)ccc1[N+](=O)[O-] ZINC000599108019 449740200 /nfs/dbraw/zinc/74/02/00/449740200.db2.gz PFNPQDOHGYUXRM-ZDUSSCGKSA-N 1 0 325.390 1.466 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000599110985 449742194 /nfs/dbraw/zinc/74/21/94/449742194.db2.gz INPPKMHFCGWONY-GASCZTMLSA-N 1 0 339.417 1.523 20 5 EDBDRO CC[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000594945299 449816458 /nfs/dbraw/zinc/81/64/58/449816458.db2.gz YEICBYRKOQBPJO-AAEUAGOBSA-N 1 0 328.390 1.526 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C[S@](C)=O)c1ccccc1 ZINC000602804490 449822687 /nfs/dbraw/zinc/82/26/87/449822687.db2.gz HLWRXPZKBVOMEV-FATZIPQQSA-N 1 0 336.417 1.809 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000602817111 449829172 /nfs/dbraw/zinc/82/91/72/449829172.db2.gz SIFSIDPIASWIKX-LSDHHAIUSA-N 1 0 337.424 1.333 20 5 EDBDRO O=[N+]([O-])c1cccc(CNS(=O)(=O)CCC[NH+]2CCCC2)c1 ZINC000601321657 449830652 /nfs/dbraw/zinc/83/06/52/449830652.db2.gz RHZPSAWCCOWUAF-UHFFFAOYSA-N 1 0 327.406 1.500 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601328254 449837239 /nfs/dbraw/zinc/83/72/39/449837239.db2.gz JCCDBWNURRYGEO-DYVFJYSZSA-N 1 0 332.404 1.964 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601330022 449837843 /nfs/dbraw/zinc/83/78/43/449837843.db2.gz OXXLMIBNYGOQLQ-SDDRHHMPSA-N 1 0 334.376 1.367 20 5 EDBDRO CCCn1nccc1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000597149807 449838050 /nfs/dbraw/zinc/83/80/50/449838050.db2.gz QRBXGJPVJIIICF-UHFFFAOYSA-N 1 0 330.392 1.919 20 5 EDBDRO CCCCNC(=O)[C@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602764622 449790371 /nfs/dbraw/zinc/79/03/71/449790371.db2.gz FAJZKQIRRXVWBC-AWEZNQCLSA-N 1 0 337.424 1.728 20 5 EDBDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602847736 449854140 /nfs/dbraw/zinc/85/41/40/449854140.db2.gz BATLNESTDHHULS-GFCCVEGCSA-N 1 0 349.313 1.100 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C2CCCCCC2)nc1 ZINC000595101289 449868475 /nfs/dbraw/zinc/86/84/75/449868475.db2.gz APOPHEIPAARLCR-UHFFFAOYSA-N 1 0 342.421 1.581 20 5 EDBDRO CC1(C)CN(CCCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000614920184 449875456 /nfs/dbraw/zinc/87/54/56/449875456.db2.gz GOXJTYITRFJVHK-UHFFFAOYSA-N 1 0 337.420 1.752 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000601343413 449852259 /nfs/dbraw/zinc/85/22/59/449852259.db2.gz OSAMUZYWWWZQGH-UWVGGRQHSA-N 1 0 349.359 1.363 20 5 EDBDRO NC(=O)C1CCC([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000609006476 449954997 /nfs/dbraw/zinc/95/49/97/449954997.db2.gz HDBLWSWAFWLVTJ-UHFFFAOYSA-N 1 0 335.360 1.500 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC(C[NH+](C)C)C2)cc1C ZINC000601423583 449942070 /nfs/dbraw/zinc/94/20/70/449942070.db2.gz CWBPVTHCLXLJKA-UHFFFAOYSA-N 1 0 327.406 1.394 20 5 EDBDRO Cc1nnc(N2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)n1C ZINC000602941812 449944003 /nfs/dbraw/zinc/94/40/03/449944003.db2.gz JLVWWGKTLDRIMX-UHFFFAOYSA-N 1 0 346.391 1.233 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000602916630 449919064 /nfs/dbraw/zinc/91/90/64/449919064.db2.gz OPXJNUPOCJZPHX-CQSZACIVSA-N 1 0 338.408 1.353 20 5 EDBDRO C[C@@H]1CCCN1C(=O)CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602966137 449969105 /nfs/dbraw/zinc/96/91/05/449969105.db2.gz YDHCHQXJIONPKJ-DYVFJYSZSA-N 1 0 335.404 1.793 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000595258038 449981364 /nfs/dbraw/zinc/98/13/64/449981364.db2.gz QVRKTWTZEJXJJH-CQSZACIVSA-N 1 0 345.359 1.399 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1SC ZINC000595260564 449983428 /nfs/dbraw/zinc/98/34/28/449983428.db2.gz DBGFIXUEUXAYQU-NXEZZACHSA-N 1 0 343.380 1.837 20 5 EDBDRO [NH3+]CC12CC(C1)CN2C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595273839 449992535 /nfs/dbraw/zinc/99/25/35/449992535.db2.gz LDVCZURIHAAKCT-UHFFFAOYSA-N 1 0 330.348 1.104 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000595354960 450070626 /nfs/dbraw/zinc/07/06/26/450070626.db2.gz PTHQIJPOZDXNRB-LLVKDONJSA-N 1 0 343.405 1.366 20 5 EDBDRO O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000603052104 450035680 /nfs/dbraw/zinc/03/56/80/450035680.db2.gz HGAAVFJDJSEKRG-VNQPRFMTSA-N 1 0 333.388 1.271 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000609560676 450051098 /nfs/dbraw/zinc/05/10/98/450051098.db2.gz KCJYIGGWEDWRHZ-LLVKDONJSA-N 1 0 342.421 1.384 20 5 EDBDRO COc1cccc(C(=O)N2CC[C@H](N3CCC3)[C@@H](F)C2)c1[N+](=O)[O-] ZINC000597577037 450120491 /nfs/dbraw/zinc/12/04/91/450120491.db2.gz FRZNZTBLBUUNTP-STQMWFEESA-N 1 0 337.351 1.862 20 5 EDBDRO CC(C)[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000595413862 450126506 /nfs/dbraw/zinc/12/65/06/450126506.db2.gz YGUKLEMUFQFPSK-AWEZNQCLSA-N 1 0 327.406 1.354 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000610336430 450195547 /nfs/dbraw/zinc/19/55/47/450195547.db2.gz AAOHJRGUOZKLIG-IAGOWNOFSA-N 1 0 346.387 1.616 20 5 EDBDRO O=C1[C@H]([N@H+]2[C@@H]3CC[C@H]2CNC(=O)C3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000610506581 450247390 /nfs/dbraw/zinc/24/73/90/450247390.db2.gz DTOLATKPLGENQP-VHDGCEQUSA-N 1 0 344.371 1.053 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1CSCC[NH2+]1 ZINC000603420707 450292967 /nfs/dbraw/zinc/29/29/67/450292967.db2.gz WZSROHNFTBPJAP-JTQLQIEISA-N 1 0 325.390 1.807 20 5 EDBDRO Cc1c(Br)c(NC[C@@H]2CSCC[NH2+]2)ncc1[N+](=O)[O-] ZINC000603421022 450294239 /nfs/dbraw/zinc/29/42/39/450294239.db2.gz XHQOIUCJGDEGMK-MRVPVSSYSA-N 1 0 347.238 2.178 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000619871885 450348764 /nfs/dbraw/zinc/34/87/64/450348764.db2.gz DIVJZGKTVVLRAH-INIZCTEOSA-N 1 0 347.415 1.851 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000619481329 450485717 /nfs/dbraw/zinc/48/57/17/450485717.db2.gz GAKRJSPQONLBHO-CYBMUJFWSA-N 1 0 336.440 1.700 20 5 EDBDRO C[N@H+](CCCO)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000115548887 486876237 /nfs/dbraw/zinc/87/62/37/486876237.db2.gz SCIVSBOIXBRARF-UHFFFAOYSA-N 1 0 337.420 1.752 20 5 EDBDRO Cc1c(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000159044293 533763693 /nfs/dbraw/zinc/76/36/93/533763693.db2.gz YXWRFTBSPIMGRQ-OAHLLOKOSA-N 1 0 334.332 1.637 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000171718249 533837229 /nfs/dbraw/zinc/83/72/29/533837229.db2.gz VBYLKJGMNVDULB-KBPBESRZSA-N 1 0 349.435 1.591 20 5 EDBDRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000253159076 518197029 /nfs/dbraw/zinc/19/70/29/518197029.db2.gz QVPDPVRZMHCDOC-KFWWJZLASA-N 1 0 346.387 1.334 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(C)CC[NH2+]CC1 ZINC000181225521 534347539 /nfs/dbraw/zinc/34/75/39/534347539.db2.gz XTZCHSRJCWWIPO-UHFFFAOYSA-N 1 0 327.406 1.571 20 5 EDBDRO C[NH2+]C1CCN(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)CC1 ZINC000237160620 536439263 /nfs/dbraw/zinc/43/92/63/536439263.db2.gz WTVDMWYSTSEGPR-UHFFFAOYSA-N 1 0 344.375 1.308 20 5 EDBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000183339247 527500324 /nfs/dbraw/zinc/50/03/24/527500324.db2.gz LXABBWIMIPZEKM-IFCKCIONSA-N 1 0 347.415 1.961 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000174463682 527833213 /nfs/dbraw/zinc/83/32/13/527833213.db2.gz YXXDLMKJXMBAOH-GFCCVEGCSA-N 1 0 349.387 1.795 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000129210450 527840010 /nfs/dbraw/zinc/84/00/10/527840010.db2.gz MUCNRQSQZFJQJK-SNVBAGLBSA-N 1 0 347.462 1.838 20 5 EDBDRO CCCC[C@H](C[NH3+])NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000236739127 535034591 /nfs/dbraw/zinc/03/45/91/535034591.db2.gz AZGHCAHBTHAFCM-GFCCVEGCSA-N 1 0 346.391 1.731 20 5 EDBDRO CCC([NH3+])(CC)CNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000262318483 535194643 /nfs/dbraw/zinc/19/46/43/535194643.db2.gz QOVKIBHHSUTKPG-UHFFFAOYSA-N 1 0 330.410 1.432 20 5 EDBDRO CCC[N@@H+]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000131241092 535359990 /nfs/dbraw/zinc/35/99/90/535359990.db2.gz JXDRVCPUWQYEJX-UHFFFAOYSA-N 1 0 341.433 1.842 20 5 EDBDRO CC[NH+](CC)CCS(=O)(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332721890 535563079 /nfs/dbraw/zinc/56/30/79/535563079.db2.gz SABJMVXGGRCNRK-UHFFFAOYSA-N 1 0 341.433 1.625 20 5 EDBDRO CCS(=O)(=O)N1CC(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000190681401 535664836 /nfs/dbraw/zinc/66/48/36/535664836.db2.gz CAZYEXSNERXKIK-GFCCVEGCSA-N 1 0 341.433 1.835 20 5 EDBDRO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000271019923 535960022 /nfs/dbraw/zinc/96/00/22/535960022.db2.gz KCPFSZXOQBQNCH-CYBMUJFWSA-N 1 0 343.387 1.947 20 5 EDBDRO C[N@@H+]1CCC[C@@]2(CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)C1 ZINC000339426951 536381619 /nfs/dbraw/zinc/38/16/19/536381619.db2.gz DEUUYEYLTICIAI-MAUKXSAKSA-N 1 0 349.431 1.752 20 5 EDBDRO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000261834626 536404087 /nfs/dbraw/zinc/40/40/87/536404087.db2.gz VRFMMHQIEJFGTF-SSDOTTSWSA-N 1 0 341.311 1.500 20 5 EDBDRO C[NH2+][C@H]1CCCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000261702016 536412564 /nfs/dbraw/zinc/41/25/64/536412564.db2.gz GFPDZQCOUXUVNE-LBPRGKRZSA-N 1 0 336.392 1.616 20 5 EDBDRO COc1cc(C(=O)N[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC(F)F ZINC000237273808 536520741 /nfs/dbraw/zinc/52/07/41/536520741.db2.gz VZHOAPIDCMYXTB-QMMMGPOBSA-N 1 0 345.302 1.687 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000742404947 579451145 /nfs/dbraw/zinc/45/11/45/579451145.db2.gz NSCLATYYUZCKAZ-GFCCVEGCSA-N 1 0 336.392 1.111 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000788205810 578357012 /nfs/dbraw/zinc/35/70/12/578357012.db2.gz PQRKRDQHQSOYND-HNNXBMFYSA-N 1 0 341.795 1.777 20 5 EDBDRO C[N@H+](CCCNC(=O)C1CCC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000759998696 580021271 /nfs/dbraw/zinc/02/12/71/580021271.db2.gz IXRARTYBSYBURM-MRXNPFEDSA-N 1 0 335.404 1.866 20 5 EDBDRO CCOCC[N@@H+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])C[C@H]1C ZINC000732038588 578688116 /nfs/dbraw/zinc/68/81/16/578688116.db2.gz KUKPVIFZWPFTFU-CYBMUJFWSA-N 1 0 333.392 1.790 20 5 EDBDRO CN(Cn1cc(Br)c([N+](=O)[O-])n1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732188292 578695891 /nfs/dbraw/zinc/69/58/91/578695891.db2.gz HKVVRALBDRKOFT-JTQLQIEISA-N 1 0 344.213 1.680 20 5 EDBDRO CCCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736455667 578990018 /nfs/dbraw/zinc/99/00/18/578990018.db2.gz CBANMFZCBQNRHU-UHFFFAOYSA-N 1 0 346.395 1.846 20 5 EDBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000738515933 579190381 /nfs/dbraw/zinc/19/03/81/579190381.db2.gz FOEDWVBJECAGAN-UHFFFAOYSA-N 1 0 345.403 1.902 20 5 EDBDRO Cc1ccc(NCCCNC(=S)NCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000739460374 579208847 /nfs/dbraw/zinc/20/88/47/579208847.db2.gz LMXYCHJWJCKMFH-UHFFFAOYSA-N 1 0 339.465 1.731 20 5 EDBDRO O=C([C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000750069631 579750971 /nfs/dbraw/zinc/75/09/71/579750971.db2.gz XSRGFHWBAIKEFB-NVXWUHKLSA-N 1 0 347.415 1.963 20 5 EDBDRO Cc1cc(F)cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000753094912 579872487 /nfs/dbraw/zinc/87/24/87/579872487.db2.gz RRVCDABFSTZCBO-OLZOCXBDSA-N 1 0 337.351 1.635 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000778290128 580460981 /nfs/dbraw/zinc/46/09/81/580460981.db2.gz RVMLZMVZTHWLCT-WCBMZHEXSA-N 1 0 335.389 1.812 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)[C@@H]2C1 ZINC000794929995 580908469 /nfs/dbraw/zinc/90/84/69/580908469.db2.gz QMCXNUGINRQGBA-XHDPSFHLSA-N 1 0 336.367 1.698 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C(C)C ZINC000795170650 580914968 /nfs/dbraw/zinc/91/49/68/580914968.db2.gz FXDLXEZXCFQLSD-UHFFFAOYSA-N 1 0 345.421 1.612 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000795171665 580915049 /nfs/dbraw/zinc/91/50/49/580915049.db2.gz OKIRZMSGWARSCX-LLVKDONJSA-N 1 0 343.405 1.366 20 5 EDBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)NCCF ZINC000800498778 581054096 /nfs/dbraw/zinc/05/40/96/581054096.db2.gz QODBYKNUAZCAQM-GFCCVEGCSA-N 1 0 338.383 1.627 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)cc1F ZINC000866873544 590894928 /nfs/dbraw/zinc/89/49/28/590894928.db2.gz DVHUMTARYBEGHT-JTQLQIEISA-N 1 0 333.385 1.661 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000893602889 591002797 /nfs/dbraw/zinc/00/27/97/591002797.db2.gz MXWPXJJNELKTKG-GASCZTMLSA-N 1 0 327.388 1.897 20 5 EDBDRO CN(CC(=O)N[C@@]1(C)C[NH+]2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC000892776593 591171971 /nfs/dbraw/zinc/17/19/71/591171971.db2.gz FEWXERKWVBSDHY-KRWDZBQOSA-N 1 0 332.404 1.632 20 5 EDBDRO Cc1c(CNC(=O)N2CCN(C)CC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000894396258 591301274 /nfs/dbraw/zinc/30/12/74/591301274.db2.gz MIHCWRYDUQJHPM-UHFFFAOYSA-N 1 0 349.435 1.292 20 5 EDBDRO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000841202404 591304312 /nfs/dbraw/zinc/30/43/12/591304312.db2.gz AFAMDAAMDMTQNR-UHFFFAOYSA-N 1 0 336.392 1.509 20 5 EDBDRO CN(C)S(=O)(=O)C1(CNCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000896053502 591332807 /nfs/dbraw/zinc/33/28/07/591332807.db2.gz CWPKYZBBQNZXTI-UHFFFAOYSA-N 1 0 347.824 1.762 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896533690 591499357 /nfs/dbraw/zinc/49/93/57/591499357.db2.gz IYICLUMXYKSMJY-CZUORRHYSA-N 1 0 334.420 1.576 20 5 EDBDRO CCc1nn(C)c(N2CC[NH+](CCCCCO)CC2)c1[N+](=O)[O-] ZINC000894964451 591500212 /nfs/dbraw/zinc/50/02/12/591500212.db2.gz QRGPCNJGDXULGJ-UHFFFAOYSA-N 1 0 325.413 1.175 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000898842557 591559617 /nfs/dbraw/zinc/55/96/17/591559617.db2.gz WCRKAMMTBTVQFG-QWHCGFSZSA-N 1 0 335.408 1.479 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+](C)[C@H](C(C)(C)C)C2)n1 ZINC000895101445 591586961 /nfs/dbraw/zinc/58/69/61/591586961.db2.gz LOWZNMJFJAICEN-ZDUSSCGKSA-N 1 0 336.392 1.943 20 5 EDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000895114834 591595709 /nfs/dbraw/zinc/59/57/09/591595709.db2.gz NGSBFHXOYYRYOO-LLVKDONJSA-N 1 0 340.811 1.800 20 5 EDBDRO C[C@H](Nc1ncnc2cccc([N+](=O)[O-])c21)[C@@H]1C[N@H+](C)CCN1C ZINC000895245816 591678784 /nfs/dbraw/zinc/67/87/84/591678784.db2.gz IDRJFCNDFFGOEZ-FZMZJTMJSA-N 1 0 330.392 1.584 20 5 EDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898122844 591789652 /nfs/dbraw/zinc/78/96/52/591789652.db2.gz NWASUEIBYBARGV-UHFFFAOYSA-N 1 0 347.415 1.490 20 5 EDBDRO Cc1cc(N2CCNCC[NH2+]CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000900368381 591998765 /nfs/dbraw/zinc/99/87/65/591998765.db2.gz DVKDDOQYXGWEOO-UHFFFAOYSA-N 1 0 332.326 1.921 20 5 EDBDRO O=[N+]([O-])c1cc(Br)ccc1N1CCNCC[NH2+]CC1 ZINC000900370005 591999379 /nfs/dbraw/zinc/99/93/79/591999379.db2.gz PUSXPBDDCQHHJU-UHFFFAOYSA-N 1 0 329.198 1.357 20 5 EDBDRO Cn1ccnc1[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000902463756 592000309 /nfs/dbraw/zinc/00/03/09/592000309.db2.gz BPFJWTSABZGKMF-XZDPQHSOSA-N 1 0 327.388 1.900 20 5 EDBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[NH2+]CCC34CCOCC4)c2c1 ZINC000900423264 592014738 /nfs/dbraw/zinc/01/47/38/592014738.db2.gz XGYWIHRCLWFTBY-UHFFFAOYSA-N 1 0 343.387 1.887 20 5 EDBDRO CCO[C@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000900691590 592096556 /nfs/dbraw/zinc/09/65/56/592096556.db2.gz MRFMYTDTDXIWQK-LLVKDONJSA-N 1 0 329.784 1.945 20 5 EDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCN2CCCOCC2)n1 ZINC000903227718 592143698 /nfs/dbraw/zinc/14/36/98/592143698.db2.gz NFRZYMCJXNTPBT-GJZGRUSLSA-N 1 0 337.424 1.587 20 5 EDBDRO CN1CCOC[C@]1(CO)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000903278014 592149913 /nfs/dbraw/zinc/14/99/13/592149913.db2.gz KRGRLLUHGRJQCZ-DLBZAZTESA-N 1 0 335.404 1.255 20 5 EDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000903591273 592235234 /nfs/dbraw/zinc/23/52/34/592235234.db2.gz LTENXRVVLNDTLE-UHFFFAOYSA-N 1 0 329.422 1.397 20 5 EDBDRO COC[C@H]1C[NH2+]CCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903882073 592361399 /nfs/dbraw/zinc/36/13/99/592361399.db2.gz KEYLVHDISCFSIQ-SNVBAGLBSA-N 1 0 344.209 1.778 20 5 EDBDRO O=[N+]([O-])CC[NH2+]CCOc1ccc(I)cc1 ZINC000905247620 592475980 /nfs/dbraw/zinc/47/59/80/592475980.db2.gz PSDNMTLWPGBUOS-UHFFFAOYSA-N 1 0 336.129 1.536 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906408020 592812390 /nfs/dbraw/zinc/81/23/90/592812390.db2.gz ANSBSXUSOAUTBR-LLVKDONJSA-N 1 0 347.371 1.723 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910295559 592833396 /nfs/dbraw/zinc/83/33/96/592833396.db2.gz NIXBWKJIYMMEJC-CYBMUJFWSA-N 1 0 348.403 1.267 20 5 EDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000911775104 593002500 /nfs/dbraw/zinc/00/25/00/593002500.db2.gz QSTZXHDKCSWBBA-LLVKDONJSA-N 1 0 335.360 1.438 20 5 EDBDRO CN1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000911880440 593029698 /nfs/dbraw/zinc/02/96/98/593029698.db2.gz VUUTTXUFSWNMID-LLVKDONJSA-N 1 0 340.811 1.282 20 5 EDBDRO C[NH+]1CCC(N(CCO)C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000911940573 593040259 /nfs/dbraw/zinc/04/02/59/593040259.db2.gz RELNAIDZPTUIDJ-UHFFFAOYSA-N 1 0 335.404 1.443 20 5 EDBDRO COC(=O)[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000839629657 593354886 /nfs/dbraw/zinc/35/48/86/593354886.db2.gz BNFDSEVJOPUDTA-LBPRGKRZSA-N 1 0 341.795 1.785 20 5 EDBDRO Cc1c(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000816948635 593561993 /nfs/dbraw/zinc/56/19/93/593561993.db2.gz BOWDDHREYARWHQ-QMTHXVAHSA-N 1 0 334.332 1.588 20 5 EDBDRO Cn1cc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]2[NH3+])cn1 ZINC000818293727 593690305 /nfs/dbraw/zinc/69/03/05/593690305.db2.gz CIRDKWXDTYCKHC-WCQYABFASA-N 1 0 349.778 1.549 20 5 EDBDRO Cn1cc(N2CCC[C@H]([NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000819105584 593739010 /nfs/dbraw/zinc/73/90/10/593739010.db2.gz MWFMZNMAEOGXKN-WMLDXEAASA-N 1 0 345.403 1.620 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CSCCS1 ZINC000819143077 593741052 /nfs/dbraw/zinc/74/10/52/593741052.db2.gz ZAUSFWCVVIISQP-RYUDHWBXSA-N 1 0 344.458 1.773 20 5 EDBDRO CC1(C)OC[C@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000819153753 593741651 /nfs/dbraw/zinc/74/16/51/593741651.db2.gz DHFAPLSFPDKASS-LBPRGKRZSA-N 1 0 344.389 1.110 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000819717757 593764705 /nfs/dbraw/zinc/76/47/05/593764705.db2.gz KWERHOSOFDSLRH-DZGCQCFKSA-N 1 0 347.371 1.339 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC000820263880 593804179 /nfs/dbraw/zinc/80/41/79/593804179.db2.gz INIDJEHADROSTE-XVKPBYJWSA-N 1 0 342.758 1.746 20 5 EDBDRO Nc1ccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000823997981 593904295 /nfs/dbraw/zinc/90/42/95/593904295.db2.gz JKPAZONVFJPABI-DZGCQCFKSA-N 1 0 349.391 1.240 20 5 EDBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(-c2nn[nH]n2)c1 ZINC000824605844 594046419 /nfs/dbraw/zinc/04/64/19/594046419.db2.gz MJCFFITUYYJSLB-JTQLQIEISA-N 1 0 328.336 1.322 20 5 EDBDRO C[C@@H]([NH3+])CCc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000823114341 594155464 /nfs/dbraw/zinc/15/54/64/594155464.db2.gz AHYAHSXIWCNRHO-SNVBAGLBSA-N 1 0 333.348 1.117 20 5 EDBDRO CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000823266864 594178125 /nfs/dbraw/zinc/17/81/25/594178125.db2.gz IECDAACWOPQAQB-HNNXBMFYSA-N 1 0 340.468 1.449 20 5 EDBDRO CC(C)(C)[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000825984798 594297952 /nfs/dbraw/zinc/29/79/52/594297952.db2.gz MIANCRVZBCTQQU-UHFFFAOYSA-N 1 0 345.197 1.870 20 5 EDBDRO CCC1([NH+]2CCCC2)CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000828019118 594323061 /nfs/dbraw/zinc/32/30/61/594323061.db2.gz ROBVSQGWVVDBIF-UHFFFAOYSA-N 1 0 349.435 1.967 20 5 EDBDRO O=C1OCCN1C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830124792 594340582 /nfs/dbraw/zinc/34/05/82/594340582.db2.gz PPXKHYBESDWVIF-IUODEOHRSA-N 1 0 335.360 1.402 20 5 EDBDRO CC1(C)CCC[N@H+](CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000831195873 594578897 /nfs/dbraw/zinc/57/88/97/594578897.db2.gz NBYRRYZTTQJKQE-OAHLLOKOSA-N 1 0 335.404 1.866 20 5 EDBDRO CCO[C@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000831744024 594698608 /nfs/dbraw/zinc/69/86/08/594698608.db2.gz MYXJILQCIAGFRK-CYBMUJFWSA-N 1 0 338.408 1.114 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000832496338 594754471 /nfs/dbraw/zinc/75/44/71/594754471.db2.gz QKCOXXRFPOEMKW-TZMCWYRMSA-N 1 0 325.340 1.712 20 5 EDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC[C@@H]1C[NH2+]CCCO1 ZINC000841858853 594966401 /nfs/dbraw/zinc/96/64/01/594966401.db2.gz VVGFVBVOLSMALF-LBPRGKRZSA-N 1 0 342.783 1.426 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842485447 595120590 /nfs/dbraw/zinc/12/05/90/595120590.db2.gz OMQLIGCCIZGFFM-ZDUSSCGKSA-N 1 0 345.808 1.765 20 5 EDBDRO C[NH2+]C[C@@H](C)c1noc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)n1 ZINC000842580908 595131871 /nfs/dbraw/zinc/13/18/71/595131871.db2.gz JEQVZHNONZDKHF-SNVBAGLBSA-N 1 0 348.363 1.300 20 5 EDBDRO [NH3+]CCCCCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000843506148 595135038 /nfs/dbraw/zinc/13/50/38/595135038.db2.gz HUYYPYJVNYQCKF-UHFFFAOYSA-N 1 0 332.364 1.424 20 5 EDBDRO CC(C)N1CCO[C@H](C(=[NH2+])NOCc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000842649968 595157102 /nfs/dbraw/zinc/15/71/02/595157102.db2.gz WRMFSWCQPDIQMH-AWEZNQCLSA-N 1 0 340.355 1.842 20 5 EDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842788220 595199249 /nfs/dbraw/zinc/19/92/49/595199249.db2.gz GDJLSPJIRSVHMB-BDAKNGLRSA-N 1 0 333.797 1.606 20 5 EDBDRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000842840097 595213942 /nfs/dbraw/zinc/21/39/42/595213942.db2.gz CBNGNHSUMYPTBF-JTQLQIEISA-N 1 0 347.824 1.998 20 5 EDBDRO Cc1ccccc1[C@@H](O)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000843075624 595281866 /nfs/dbraw/zinc/28/18/66/595281866.db2.gz URXYKVGFRAVOIL-YOEHRIQHSA-N 1 0 346.383 1.966 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)c1ccsc1 ZINC000843083388 595282942 /nfs/dbraw/zinc/28/29/42/595282942.db2.gz HLLCDNZWHFVATF-TZMCWYRMSA-N 1 0 338.385 1.719 20 5 EDBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846911010 595336136 /nfs/dbraw/zinc/33/61/36/595336136.db2.gz GIIVYGBUEJADFP-KDOFPFPSSA-N 1 0 349.431 1.813 20 5 EDBDRO C[C@@H]1CC[C@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000848531138 595403157 /nfs/dbraw/zinc/40/31/57/595403157.db2.gz NALQJTOSNFUIFL-DZGBDDFRSA-N 1 0 326.418 1.863 20 5 EDBDRO CC[N@H+](C)C[C@H](O)Cn1cnc2cc(Cl)c([N+](=O)[O-])cc2c1=O ZINC000848674573 595426566 /nfs/dbraw/zinc/42/65/66/595426566.db2.gz GHNIWJGXTJJUII-VIFPVBQESA-N 1 0 340.767 1.271 20 5 EDBDRO COCC[NH+]1CCC(OC(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000847886043 595497069 /nfs/dbraw/zinc/49/70/69/595497069.db2.gz VMOTVTFLVQMLIG-UHFFFAOYSA-N 1 0 338.360 1.871 20 5 EDBDRO C[C@H](CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[NH+](C)C ZINC000849429925 595525012 /nfs/dbraw/zinc/52/50/12/595525012.db2.gz XJDSFULIYCHWQH-SECBINFHSA-N 1 0 335.813 1.867 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000857766751 595600836 /nfs/dbraw/zinc/60/08/36/595600836.db2.gz RWIKSAKKEBFVCT-ZJUUUORDSA-N 1 0 329.303 1.823 20 5 EDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857768059 595601539 /nfs/dbraw/zinc/60/15/39/595601539.db2.gz LMYGMIAKBYGAEF-IUCAKERBSA-N 1 0 333.266 1.383 20 5 EDBDRO O=C(N1CC[C@]2(CC[NH2+]C2)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857768718 595602238 /nfs/dbraw/zinc/60/22/38/595602238.db2.gz WUJFQMHJTGFSND-AWEZNQCLSA-N 1 0 341.314 1.778 20 5 EDBDRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1F ZINC000850860896 595656957 /nfs/dbraw/zinc/65/69/57/595656957.db2.gz AWQYDEBWQBQZIN-NXEZZACHSA-N 1 0 344.730 1.084 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@]1(C)CC[NH2+]C1 ZINC000853082053 595659073 /nfs/dbraw/zinc/65/90/73/595659073.db2.gz BIIKXISCOLJTDE-GFCCVEGCSA-N 1 0 333.797 1.587 20 5 EDBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000855345908 595680708 /nfs/dbraw/zinc/68/07/08/595680708.db2.gz KCQBWJCLCACJBA-QIENPNARSA-N 1 0 348.447 1.996 20 5 EDBDRO CN(CCC[NH+](C)C)CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000855416132 595705577 /nfs/dbraw/zinc/70/55/77/595705577.db2.gz HEDOLEWWUZEAOO-YFHOEESVSA-N 1 0 334.420 1.608 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@]2(OCCO)CCOC2)c1 ZINC000850357846 595816537 /nfs/dbraw/zinc/81/65/37/595816537.db2.gz AIKXMNVZIFUCCA-AWEZNQCLSA-N 1 0 330.768 1.506 20 5 EDBDRO COc1cc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c([N+](=O)[O-])cc1C ZINC000853966242 595936630 /nfs/dbraw/zinc/93/66/30/595936630.db2.gz QMFSNCONZAFHTF-CQSZACIVSA-N 1 0 335.404 1.947 20 5 EDBDRO COC(CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)OC ZINC000851848553 595945407 /nfs/dbraw/zinc/94/54/07/595945407.db2.gz MESYLSFDATYBHT-UHFFFAOYSA-N 1 0 337.376 1.362 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)CC3(O)CCC3)CC2)cc1 ZINC000859054582 595963460 /nfs/dbraw/zinc/96/34/60/595963460.db2.gz BGVKRDAXRVRIBN-INIZCTEOSA-N 1 0 335.404 1.383 20 5 EDBDRO [NH3+][C@H]1C[C@H](c2nc(-c3ccc(-n4cncn4)c([N+](=O)[O-])c3)no2)C1 ZINC000854161908 595994920 /nfs/dbraw/zinc/99/49/20/595994920.db2.gz WIQDLKMMRWZWNY-MGCOHNPYSA-N 1 0 327.304 1.430 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c1[N+](=O)[O-] ZINC000866824346 596366282 /nfs/dbraw/zinc/36/62/82/596366282.db2.gz MKBQQRXBJOTCQI-CHWSQXEVSA-N 1 0 339.417 1.727 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000867812738 596564898 /nfs/dbraw/zinc/56/48/98/596564898.db2.gz LUBRANTWCGSMEG-IUODEOHRSA-N 1 0 339.417 1.618 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000867815005 596566136 /nfs/dbraw/zinc/56/61/36/596566136.db2.gz WPVOAEVHGUVOEJ-DZGCQCFKSA-N 1 0 339.417 1.451 20 5 EDBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000865476130 596586170 /nfs/dbraw/zinc/58/61/70/596586170.db2.gz ALIFXYKOGLIJMH-HNNXBMFYSA-N 1 0 331.376 1.698 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000869816249 596648333 /nfs/dbraw/zinc/64/83/33/596648333.db2.gz MFOKPCYWTGRMJW-UHFFFAOYSA-N 1 0 341.371 1.136 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000868233628 596738909 /nfs/dbraw/zinc/73/89/09/596738909.db2.gz XRRUDYVRFAZICP-BBRMVZONSA-N 1 0 348.403 1.709 20 5 EDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)CN1CCOCC1 ZINC000866231699 596835106 /nfs/dbraw/zinc/83/51/06/596835106.db2.gz HTSOGJSRWXBPDH-STQMWFEESA-N 1 0 325.384 1.975 20 5 EDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000866384513 596872268 /nfs/dbraw/zinc/87/22/68/596872268.db2.gz ZFMIXUVEFYYATM-GXFFZTMASA-N 1 0 345.396 1.288 20 5 EDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000866387758 596872902 /nfs/dbraw/zinc/87/29/02/596872902.db2.gz WMUUVYOAQKGACV-MFKMUULPSA-N 1 0 333.367 1.941 20 5 EDBDRO Cc1nn(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000872723647 597046121 /nfs/dbraw/zinc/04/61/21/597046121.db2.gz NJSNUSGRCNUXNP-SWLSCSKDSA-N 1 0 330.392 1.631 20 5 EDBDRO COc1ccc(CC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000874840192 597194245 /nfs/dbraw/zinc/19/42/45/597194245.db2.gz KRZOHZVHEMBUEE-KGLIPLIRSA-N 1 0 333.388 1.841 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000877357286 597500145 /nfs/dbraw/zinc/50/01/45/597500145.db2.gz WRLCZWRRUXHLGS-JGVFFNPUSA-N 1 0 335.257 1.943 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C(F)(F)F ZINC000877365372 597502128 /nfs/dbraw/zinc/50/21/28/597502128.db2.gz PXICDIBZTDFTNG-KWQFWETISA-N 1 0 335.257 1.943 20 5 EDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1ccc([N+](=O)[O-])c3cccnc13)C2 ZINC000877373560 597504057 /nfs/dbraw/zinc/50/40/57/597504057.db2.gz CUSYFISJTQTLBI-APPDUMDISA-N 1 0 326.356 1.825 20 5 EDBDRO Cc1ccc(C[C@H](CO)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000877465308 597520039 /nfs/dbraw/zinc/52/00/39/597520039.db2.gz RKLSITBGLWSNGJ-HWOWSKLDSA-N 1 0 330.388 1.996 20 5 EDBDRO Cn1ncc2cc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)cnc21 ZINC000877483828 597523512 /nfs/dbraw/zinc/52/35/12/597523512.db2.gz QIXWIFDHJKRDAQ-UHFFFAOYSA-N 1 0 341.375 1.910 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000878022018 597569941 /nfs/dbraw/zinc/56/99/41/597569941.db2.gz VEYVNANGIYZEJG-LBPRGKRZSA-N 1 0 349.387 1.970 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)Cn2cc(CC[NH+]3CCCCC3)nn2)c1 ZINC000881410551 597606023 /nfs/dbraw/zinc/60/60/23/597606023.db2.gz DMRIMJMARWWTKZ-QGZVFWFLSA-N 1 0 345.403 1.948 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881471732 597630498 /nfs/dbraw/zinc/63/04/98/597630498.db2.gz AWQUKUQOSPGQRU-CYBMUJFWSA-N 1 0 334.376 1.363 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[NH2+]CCC23CCC3)cc1 ZINC000883478600 597767789 /nfs/dbraw/zinc/76/77/89/597767789.db2.gz PUBKNCMWWSZTFG-UHFFFAOYSA-N 1 0 339.417 1.643 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000879429727 597915076 /nfs/dbraw/zinc/91/50/76/597915076.db2.gz APRUFOGLSJMPGT-LBPRGKRZSA-N 1 0 349.387 1.780 20 5 EDBDRO COc1ccc(OCC[N@@H+](C)[C@@H]2CCOC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000880425015 597928330 /nfs/dbraw/zinc/92/83/30/597928330.db2.gz CWKVFYRAPQZAIO-CZUORRHYSA-N 1 0 340.376 1.718 20 5 EDBDRO CO[C@H]1COCC[C@@H]1[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000880430973 597931558 /nfs/dbraw/zinc/93/15/58/597931558.db2.gz RMSWESURCFWQQC-GJZGRUSLSA-N 1 0 337.376 1.659 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H](O)c2ccccc2)c1 ZINC000916633022 696690896 /nfs/dbraw/zinc/69/08/96/696690896.db2.gz FLPMZXHGYUUGEA-WBVHZDCISA-N 1 0 332.356 1.658 20 5 EDBDRO Cc1cc(S(=O)(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000919853521 697349992 /nfs/dbraw/zinc/34/99/92/697349992.db2.gz JFOCOKKBTDGBIL-QWHCGFSZSA-N 1 0 339.417 1.760 20 5 EDBDRO C[NH+](C)C1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000069118209 699077001 /nfs/dbraw/zinc/07/70/01/699077001.db2.gz RIRNMWCFBBZEBO-UHFFFAOYSA-N 1 0 325.340 1.665 20 5 EDBDRO CCc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC000996439876 702769555 /nfs/dbraw/zinc/76/95/55/702769555.db2.gz HHIRPDOSQWWAPS-CHWSQXEVSA-N 1 0 338.433 1.451 20 5 EDBDRO O=C(c1ccnnc1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997035483 703287520 /nfs/dbraw/zinc/28/75/20/703287520.db2.gz AXXJJAFRMWUKAO-UHFFFAOYSA-N 1 0 347.400 1.841 20 5 EDBDRO COc1cccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001005375649 708732214 /nfs/dbraw/zinc/73/22/14/708732214.db2.gz NTYKEUIXDFQGHR-IAGOWNOFSA-N 1 0 347.415 1.783 20 5 EDBDRO CCc1nocc1C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001005375694 708732628 /nfs/dbraw/zinc/73/26/28/708732628.db2.gz OYURLFUFXXZMSR-UKRRQHHQSA-N 1 0 336.392 1.325 20 5 EDBDRO CC(C)C[NH+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000053782187 214197668 /nfs/dbraw/zinc/19/76/68/214197668.db2.gz UKIZGBAQYIHUTN-UHFFFAOYSA-N 1 0 346.431 1.758 20 5 EDBDRO Cc1cc(C(=O)N2CC[NH+](C3CCOCC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000174988488 231360974 /nfs/dbraw/zinc/36/09/74/231360974.db2.gz UFSKYIJNLATTLS-UHFFFAOYSA-N 1 0 348.403 1.422 20 5 EDBDRO CCc1ccc(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000184317128 529606238 /nfs/dbraw/zinc/60/62/38/529606238.db2.gz UAUNCGKJTKIXKL-AWEZNQCLSA-N 1 0 348.447 1.913 20 5 EDBDRO Cc1nn(CCC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000177503277 231911353 /nfs/dbraw/zinc/91/13/53/231911353.db2.gz MNMMBTUEIGQHNJ-UONOGXRCSA-N 1 0 337.424 1.787 20 5 EDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178100169 232082587 /nfs/dbraw/zinc/08/25/87/232082587.db2.gz RPGXWOHOFNWUHD-CQSZACIVSA-N 1 0 333.388 1.318 20 5 EDBDRO C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)[NH+](C)C ZINC000412388473 304004451 /nfs/dbraw/zinc/00/44/51/304004451.db2.gz NGMFHACBWFDTGR-NSHDSACASA-N 1 0 332.360 1.588 20 5 EDBDRO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000103286711 219283408 /nfs/dbraw/zinc/28/34/08/219283408.db2.gz WYVCDAWYYCBHHW-CYBMUJFWSA-N 1 0 345.359 1.875 20 5 EDBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182092975 234451319 /nfs/dbraw/zinc/45/13/19/234451319.db2.gz KNOFHZIEXHUAFU-GFCCVEGCSA-N 1 0 347.371 1.881 20 5 EDBDRO C[C@@H]1CCC[C@@H](C)N1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000562999040 306315202 /nfs/dbraw/zinc/31/52/02/306315202.db2.gz GNSNOJRIVVTELZ-UMVBOHGHSA-N 1 0 325.413 1.005 20 5 EDBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000184411919 235391631 /nfs/dbraw/zinc/39/16/31/235391631.db2.gz VSYONQOWDPRUQE-LBPRGKRZSA-N 1 0 338.383 1.490 20 5 EDBDRO CCC(=O)N1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000077387588 138252448 /nfs/dbraw/zinc/25/24/48/138252448.db2.gz LHCJZCDWKFOLBI-UHFFFAOYSA-N 1 0 348.403 1.868 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)c([N+](=O)[O-])c1 ZINC000447242682 305276117 /nfs/dbraw/zinc/27/61/17/305276117.db2.gz DAIHFLHWUXZYBR-GFCCVEGCSA-N 1 0 327.406 1.699 20 5 EDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000178980596 138748637 /nfs/dbraw/zinc/74/86/37/138748637.db2.gz JQSNBBYKTHAKNQ-CYBMUJFWSA-N 1 0 332.404 1.877 20 5 EDBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180532430 138759914 /nfs/dbraw/zinc/75/99/14/138759914.db2.gz IBDBATJLHJWWLC-LBPRGKRZSA-N 1 0 335.408 1.956 20 5 EDBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000564781275 306364333 /nfs/dbraw/zinc/36/43/33/306364333.db2.gz NZRCGNICHMVUOS-ZDUSSCGKSA-N 1 0 336.392 1.709 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2C[C@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000565160221 306376684 /nfs/dbraw/zinc/37/66/84/306376684.db2.gz BRMHGLWHONFHDH-KGLIPLIRSA-N 1 0 337.376 1.681 20 5 EDBDRO CC1(C)C[C@H]([NH2+]C[C@H](O)Cn2ccnn2)c2cc([N+](=O)[O-])ccc21 ZINC000414196065 304105214 /nfs/dbraw/zinc/10/52/14/304105214.db2.gz UZNBZDCGFCIQJL-WFASDCNBSA-N 1 0 331.376 1.559 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000078508608 217066416 /nfs/dbraw/zinc/06/64/16/217066416.db2.gz PFNLWZAEJNLXGQ-UHFFFAOYSA-N 1 0 329.784 1.898 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000237050564 139039160 /nfs/dbraw/zinc/03/91/60/139039160.db2.gz LIIUHPGEMSMKPB-LLVKDONJSA-N 1 0 337.376 1.732 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC1([NH3+])CCCCC1 ZINC000237550836 139053847 /nfs/dbraw/zinc/05/38/47/139053847.db2.gz SQNJPNBHBJJQPS-GFCCVEGCSA-N 1 0 348.403 1.491 20 5 EDBDRO CC(C)[N@H+](C)CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111594451 220168414 /nfs/dbraw/zinc/16/84/14/220168414.db2.gz UPPGXGWCVIXCIZ-UHFFFAOYSA-N 1 0 332.360 1.506 20 5 EDBDRO Cc1c(C(=O)N2CCC[C@H]2C[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000237756867 139059721 /nfs/dbraw/zinc/05/97/21/139059721.db2.gz QZALZYCTLKLYSP-ZDUSSCGKSA-N 1 0 330.348 1.047 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000415275707 304183630 /nfs/dbraw/zinc/18/36/30/304183630.db2.gz BUNLXLRWBJOPDD-LBPRGKRZSA-N 1 0 334.376 1.300 20 5 EDBDRO Cc1ccc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000093046699 218188997 /nfs/dbraw/zinc/18/89/97/218188997.db2.gz KVTHEEUQSVTZAF-UHFFFAOYSA-N 1 0 346.431 1.643 20 5 EDBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093898684 218256567 /nfs/dbraw/zinc/25/65/67/218256567.db2.gz FYGGWXMONDRHNW-LBPRGKRZSA-N 1 0 345.403 1.809 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000094124471 218265984 /nfs/dbraw/zinc/26/59/84/218265984.db2.gz AVLWADGQESKQAN-CQSZACIVSA-N 1 0 348.447 1.886 20 5 EDBDRO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415448445 304221382 /nfs/dbraw/zinc/22/13/82/304221382.db2.gz UYGINYACABUQNX-HQJQHLMTSA-N 1 0 348.281 1.315 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261700381 139218790 /nfs/dbraw/zinc/21/87/90/139218790.db2.gz LKGZFLNAJSXOCL-CQSZACIVSA-N 1 0 327.406 1.571 20 5 EDBDRO C[NH2+][C@H](C)Cc1noc(CN2C(=O)COc3ccc([N+](=O)[O-])cc32)n1 ZINC000261708344 139219344 /nfs/dbraw/zinc/21/93/44/139219344.db2.gz IQDIQWFQFZSUHB-SECBINFHSA-N 1 0 347.331 1.054 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCOCC(F)F)cc1 ZINC000569112210 306496899 /nfs/dbraw/zinc/49/68/99/306496899.db2.gz SYYDTROOUUFORC-UHFFFAOYSA-N 1 0 338.332 1.240 20 5 EDBDRO COc1ccc(CN2CC[NH2+]C[C@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000261764600 139224072 /nfs/dbraw/zinc/22/40/72/139224072.db2.gz NKBDXSUISWVWES-AWEZNQCLSA-N 1 0 331.376 1.483 20 5 EDBDRO [NH3+][C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261785562 139225793 /nfs/dbraw/zinc/22/57/93/139225793.db2.gz PTTICCGABUGVRN-LSDHHAIUSA-N 1 0 341.367 1.927 20 5 EDBDRO [NH3+]CCNC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000261793265 139226638 /nfs/dbraw/zinc/22/66/38/139226638.db2.gz ZFCWDKCDQHVFBZ-LBPRGKRZSA-N 1 0 343.387 1.434 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)c1[N+](=O)[O-] ZINC000261881643 139233679 /nfs/dbraw/zinc/23/36/79/139233679.db2.gz UEXXAXHOIYNSRP-OKILXGFUSA-N 1 0 335.408 1.256 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000261961161 139240117 /nfs/dbraw/zinc/24/01/17/139240117.db2.gz OQJPRHRRUIDWML-NXEZZACHSA-N 1 0 347.824 1.996 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000417173036 251144946 /nfs/dbraw/zinc/14/49/46/251144946.db2.gz GQXNAUQHYUFFRD-YPMHNXCESA-N 1 0 336.392 1.730 20 5 EDBDRO O=C(C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)N1CCOCC1 ZINC000417309269 251154302 /nfs/dbraw/zinc/15/43/02/251154302.db2.gz JASRQZKGBBIOOR-MRXNPFEDSA-N 1 0 333.388 1.811 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)NC[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000417843981 251295079 /nfs/dbraw/zinc/29/50/79/251295079.db2.gz HGHUTHSNWBNHTH-GXTWGEPZSA-N 1 0 335.408 1.167 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000262507626 139283264 /nfs/dbraw/zinc/28/32/64/139283264.db2.gz MQENIDATQFPTNB-MWLCHTKSSA-N 1 0 329.353 1.106 20 5 EDBDRO CC[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000417855655 251298418 /nfs/dbraw/zinc/29/84/18/251298418.db2.gz RCLCPJDTORXHSQ-LSDHHAIUSA-N 1 0 335.408 1.249 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000262548612 139285710 /nfs/dbraw/zinc/28/57/10/139285710.db2.gz SACBWNRDGRWZPS-ZDUSSCGKSA-N 1 0 347.824 1.916 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[C@H]2CC[NH2+]C2)cc1OC ZINC000262581927 139288242 /nfs/dbraw/zinc/28/82/42/139288242.db2.gz MLYQUVOLUOXQKL-LLVKDONJSA-N 1 0 337.376 1.732 20 5 EDBDRO Cn1ccnc1C(=O)c1ccc(NC[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000420166545 251626841 /nfs/dbraw/zinc/62/68/41/251626841.db2.gz PTQHWBWNAIWSED-LBPRGKRZSA-N 1 0 329.360 1.723 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262793724 139303938 /nfs/dbraw/zinc/30/39/38/139303938.db2.gz SKVXSWPCRASILS-GZMMTYOYSA-N 1 0 333.797 1.525 20 5 EDBDRO COC(=O)c1cc(C(=O)NC2CCC([NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000421685669 251864161 /nfs/dbraw/zinc/86/41/61/251864161.db2.gz UJWGKFYYOZQCNY-UHFFFAOYSA-N 1 0 349.387 1.984 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 ZINC000262896064 139311207 /nfs/dbraw/zinc/31/12/07/139311207.db2.gz PCQLUNIMHWGGFX-VXGBXAGGSA-N 1 0 329.360 1.651 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000424044749 252123558 /nfs/dbraw/zinc/12/35/58/252123558.db2.gz KLFVPJKNBGMMEZ-ADEWGFFLSA-N 1 0 338.412 1.084 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424225946 252170696 /nfs/dbraw/zinc/17/06/96/252170696.db2.gz QSXHOUZCUQFBSY-UHFFFAOYSA-N 1 0 347.400 1.933 20 5 EDBDRO O=c1[nH]c(N2CC[C@H]([NH+]3CCCC3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000370466951 285150385 /nfs/dbraw/zinc/15/03/85/285150385.db2.gz CHGWZAVOVVUTNU-LBPRGKRZSA-N 1 0 329.360 1.918 20 5 EDBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000420256682 285158073 /nfs/dbraw/zinc/15/80/73/285158073.db2.gz JAMHRLXJFBKHCH-ZDUSSCGKSA-N 1 0 327.388 1.627 20 5 EDBDRO C[NH2+][C@@H](C)CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415704559 304259814 /nfs/dbraw/zinc/25/98/14/304259814.db2.gz SFASSNGCNJIUTN-JTQLQIEISA-N 1 0 336.392 1.555 20 5 EDBDRO C[NH+]1CCN(CCCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000263684266 139352578 /nfs/dbraw/zinc/35/25/78/139352578.db2.gz HKTUSNDSCREONQ-UHFFFAOYSA-N 1 0 347.419 1.529 20 5 EDBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC1(C)C ZINC000486941793 255020398 /nfs/dbraw/zinc/02/03/98/255020398.db2.gz RPVFFPGEGZHBOM-SMDDNHRTSA-N 1 0 341.433 1.897 20 5 EDBDRO O=C(NC[C@H](O)C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000263910868 139368987 /nfs/dbraw/zinc/36/89/87/139368987.db2.gz MDWGWWICJXTBML-NSHDSACASA-N 1 0 342.783 1.826 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(C)c1[N+](=O)[O-] ZINC000154521884 224266751 /nfs/dbraw/zinc/26/67/51/224266751.db2.gz BAPLLXHYPFMJMA-GJZGRUSLSA-N 1 0 349.435 1.741 20 5 EDBDRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118095118 221115361 /nfs/dbraw/zinc/11/53/61/221115361.db2.gz CSSZMVLIBDPSRC-UHFFFAOYSA-N 1 0 342.783 1.645 20 5 EDBDRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264103052 139380607 /nfs/dbraw/zinc/38/06/07/139380607.db2.gz AVSXHPPTCIVMKZ-NSHDSACASA-N 1 0 335.360 1.390 20 5 EDBDRO COc1ccc(CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000264331738 139397898 /nfs/dbraw/zinc/39/78/98/139397898.db2.gz WVLYAWPQVXPFOX-LLVKDONJSA-N 1 0 336.392 1.885 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000420427651 291991166 /nfs/dbraw/zinc/99/11/66/291991166.db2.gz RUTONTVFOJGPHK-CMPLNLGQSA-N 1 0 327.406 1.569 20 5 EDBDRO COC[C@@](C)(CCO)[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000267942790 139694721 /nfs/dbraw/zinc/69/47/21/139694721.db2.gz OFHNCJASERMAQN-OAHLLOKOSA-N 1 0 328.365 1.359 20 5 EDBDRO Cn1cc([C@H](O)C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000268932788 139855694 /nfs/dbraw/zinc/85/56/94/139855694.db2.gz XULLMVCMKAZSSR-NVXWUHKLSA-N 1 0 330.388 1.973 20 5 EDBDRO O=C(CC[C@H]1CC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000270308428 140077194 /nfs/dbraw/zinc/07/71/94/140077194.db2.gz GMYUMLQRFJHWMJ-AWEZNQCLSA-N 1 0 332.404 1.633 20 5 EDBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000271304482 140274316 /nfs/dbraw/zinc/27/43/16/140274316.db2.gz LBYHZESIESNFQZ-HNNXBMFYSA-N 1 0 343.387 1.895 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000416310369 304308523 /nfs/dbraw/zinc/30/85/23/304308523.db2.gz ZPFKMPHXOGCEAG-UHFFFAOYSA-N 1 0 329.360 1.605 20 5 EDBDRO CCC(=O)N1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331672122 141065134 /nfs/dbraw/zinc/06/51/34/141065134.db2.gz USEQOJFSJFYHIR-IHRRRGAJSA-N 1 0 335.408 1.876 20 5 EDBDRO CN(CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000331728370 141074146 /nfs/dbraw/zinc/07/41/46/141074146.db2.gz ZJDYHNRBCZBDIW-KGLIPLIRSA-N 1 0 332.404 1.774 20 5 EDBDRO Cc1c(F)cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000331851756 141089255 /nfs/dbraw/zinc/08/92/55/141089255.db2.gz WJNCLONJVXMILS-IINYFYTJSA-N 1 0 343.380 1.415 20 5 EDBDRO C[N@@H+]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C(C)(C)C1 ZINC000332076034 141118536 /nfs/dbraw/zinc/11/85/36/141118536.db2.gz WWMJVJOWTDOAFF-UHFFFAOYSA-N 1 0 348.403 1.919 20 5 EDBDRO C[C@]1(CO)CCC[C@@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000332184592 141136660 /nfs/dbraw/zinc/13/66/60/141136660.db2.gz WKUGSEDWQJYWTR-HLLBOEOZSA-N 1 0 333.388 1.841 20 5 EDBDRO CC[N@@H+]1C[C@H](C)N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000332340652 141165335 /nfs/dbraw/zinc/16/53/35/141165335.db2.gz SCHZQIVLWCLWKA-KBPBESRZSA-N 1 0 346.431 1.898 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)c1C ZINC000416495419 304324544 /nfs/dbraw/zinc/32/45/44/304324544.db2.gz LUJNJBXUUIJNAI-GFCCVEGCSA-N 1 0 327.406 1.442 20 5 EDBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H](C)C1 ZINC000346174334 143175047 /nfs/dbraw/zinc/17/50/47/143175047.db2.gz CUGLPNUTQZNIRP-MISXGVKJSA-N 1 0 333.392 1.374 20 5 EDBDRO C[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C(N)=O ZINC000346677765 143230439 /nfs/dbraw/zinc/23/04/39/143230439.db2.gz XXXZECRLOQMXJD-JOYOIKCWSA-N 1 0 331.332 1.198 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(-c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)n1 ZINC000346793106 143246330 /nfs/dbraw/zinc/24/63/30/143246330.db2.gz FABMQFIQUOMYKN-MWLCHTKSSA-N 1 0 334.336 1.397 20 5 EDBDRO C[C@H]1C[C@@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000347094378 143282003 /nfs/dbraw/zinc/28/20/03/143282003.db2.gz PPUDMMWDOUYBMN-JSGCOSHPSA-N 1 0 341.433 1.539 20 5 EDBDRO C[C@H]1C[C@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000347094371 143282056 /nfs/dbraw/zinc/28/20/56/143282056.db2.gz PPUDMMWDOUYBMN-GXTWGEPZSA-N 1 0 341.433 1.539 20 5 EDBDRO C[C@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000347121312 143284986 /nfs/dbraw/zinc/28/49/86/143284986.db2.gz CZNAQPRDUCTVOE-FZMZJTMJSA-N 1 0 346.387 1.603 20 5 EDBDRO C[C@@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000347121318 143285051 /nfs/dbraw/zinc/28/50/51/143285051.db2.gz CZNAQPRDUCTVOE-RISCZKNCSA-N 1 0 346.387 1.603 20 5 EDBDRO C[C@H]1C[N@H+](CCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCCO1 ZINC000347211803 143295356 /nfs/dbraw/zinc/29/53/56/143295356.db2.gz ULYPUPSGLIUNGE-LBPRGKRZSA-N 1 0 339.367 1.965 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000351826885 143612277 /nfs/dbraw/zinc/61/22/77/143612277.db2.gz DSUUEXFQSHPBNQ-DGCLKSJQSA-N 1 0 343.387 1.805 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC(C)(C)C[NH+](C)C)c1C ZINC000416508028 304327002 /nfs/dbraw/zinc/32/70/02/304327002.db2.gz NJOWNYCXUDPOGG-UHFFFAOYSA-N 1 0 329.422 1.830 20 5 EDBDRO CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000348075393 285842260 /nfs/dbraw/zinc/84/22/60/285842260.db2.gz PRUQOHPFOMAKCC-CHWSQXEVSA-N 1 0 349.391 1.129 20 5 EDBDRO Cc1cccc2c1OCC[C@H]2[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000573111795 306612239 /nfs/dbraw/zinc/61/22/39/306612239.db2.gz OMOMNLZOUMXUAZ-UKRRQHHQSA-N 1 0 332.360 1.574 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000352966456 149232480 /nfs/dbraw/zinc/23/24/80/149232480.db2.gz ITOATDXWIZCYNB-LBPRGKRZSA-N 1 0 332.809 1.958 20 5 EDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000353129040 149297308 /nfs/dbraw/zinc/29/73/08/149297308.db2.gz MFKWREKCZRLBEX-LSDHHAIUSA-N 1 0 338.360 1.745 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)Cn1cccn1 ZINC000354920707 150032839 /nfs/dbraw/zinc/03/28/39/150032839.db2.gz OCAPWXUJWSEUNX-LLVKDONJSA-N 1 0 333.348 1.417 20 5 EDBDRO CC[C@@]1(O)CC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000354924739 150035547 /nfs/dbraw/zinc/03/55/47/150035547.db2.gz DKCJMLUWWQLFIA-MRXNPFEDSA-N 1 0 338.360 1.493 20 5 EDBDRO COC(=O)COc1ccc(C[N@H+](C)CC2(O)CCC2)cc1[N+](=O)[O-] ZINC000354982582 150064727 /nfs/dbraw/zinc/06/47/27/150064727.db2.gz QPBUXQVWJJARLJ-UHFFFAOYSA-N 1 0 338.360 1.493 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])ccc3OC)[C@@H]2C1 ZINC000355379350 150243628 /nfs/dbraw/zinc/24/36/28/150243628.db2.gz IHMHEZHPZYCHBT-GDBMZVCRSA-N 1 0 349.387 1.539 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000357073706 150913334 /nfs/dbraw/zinc/91/33/34/150913334.db2.gz ICPYXELSAYRDQI-XQQFMLRXSA-N 1 0 348.403 1.472 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000357073709 150913416 /nfs/dbraw/zinc/91/34/16/150913416.db2.gz ICPYXELSAYRDQI-YNEHKIRRSA-N 1 0 348.403 1.472 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000357385294 151014354 /nfs/dbraw/zinc/01/43/54/151014354.db2.gz FUOJWXAJYWNLIR-BXUZGUMPSA-N 1 0 349.387 1.984 20 5 EDBDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000357661389 151106856 /nfs/dbraw/zinc/10/68/56/151106856.db2.gz FVHOGNHPZYJUFH-VIFPVBQESA-N 1 0 335.813 1.867 20 5 EDBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CS(=O)(=O)CCO2)cccc1[N+](=O)[O-] ZINC000358297781 151329901 /nfs/dbraw/zinc/32/99/01/151329901.db2.gz JZVXTZBPTJZHAV-NWDGAFQWSA-N 1 0 328.390 1.367 20 5 EDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000358993074 151561308 /nfs/dbraw/zinc/56/13/08/151561308.db2.gz YSULOAFTNUFHRA-SECBINFHSA-N 1 0 329.303 1.878 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000370082658 155316804 /nfs/dbraw/zinc/31/68/04/155316804.db2.gz OLYBZEXIWGZECQ-WFASDCNBSA-N 1 0 348.403 1.568 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC([N@H+](C)CCCO)CC1 ZINC000360905238 152247158 /nfs/dbraw/zinc/24/71/58/152247158.db2.gz XVUNQPPYZSNNJM-UHFFFAOYSA-N 1 0 325.413 1.403 20 5 EDBDRO Cc1cc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000361010224 152277819 /nfs/dbraw/zinc/27/78/19/152277819.db2.gz BXQBEYIWHAJWQL-INIZCTEOSA-N 1 0 346.431 1.755 20 5 EDBDRO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000363593485 153008877 /nfs/dbraw/zinc/00/88/77/153008877.db2.gz YPRCHDRPVKTNAE-KGLIPLIRSA-N 1 0 335.408 1.657 20 5 EDBDRO COc1ccc(CNC(=O)NCC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000417187804 304382282 /nfs/dbraw/zinc/38/22/82/304382282.db2.gz GYZQNOWEJGINOV-UHFFFAOYSA-N 1 0 336.392 1.792 20 5 EDBDRO CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000364468246 153246514 /nfs/dbraw/zinc/24/65/14/153246514.db2.gz ZALQOYGVMMPIPK-ZIAGYGMSSA-N 1 0 349.387 1.587 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000237205113 286384489 /nfs/dbraw/zinc/38/44/89/286384489.db2.gz AWEXHTUTRTXDPP-PWSUYJOCSA-N 1 0 343.405 1.351 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000367075704 154001251 /nfs/dbraw/zinc/00/12/51/154001251.db2.gz WWAHKSCENWQIMO-RYUDHWBXSA-N 1 0 345.396 1.532 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000367199078 154038537 /nfs/dbraw/zinc/03/85/37/154038537.db2.gz IFCAJBCAUXVJGN-UHFFFAOYSA-N 1 0 339.417 1.667 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000367820604 154284600 /nfs/dbraw/zinc/28/46/00/154284600.db2.gz CWESGSHSYFLNAW-ZDUSSCGKSA-N 1 0 325.390 1.324 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000371711788 156073575 /nfs/dbraw/zinc/07/35/75/156073575.db2.gz WEPMVNOEQSWNLP-OAHLLOKOSA-N 1 0 346.387 1.937 20 5 EDBDRO CCc1n[nH]c(C(=O)N[C@H]2CCCN(c3ccccn3)C2)c1[N+](=O)[O-] ZINC000372457151 156398974 /nfs/dbraw/zinc/39/89/74/156398974.db2.gz IXDUUBAGBOQUOG-NSHDSACASA-N 1 0 344.375 1.674 20 5 EDBDRO C[NH+]1CCC2(CCCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000374108877 157145232 /nfs/dbraw/zinc/14/52/32/157145232.db2.gz PTHFHAQYMBQSPW-UHFFFAOYSA-N 1 0 335.408 1.516 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000374305843 157234396 /nfs/dbraw/zinc/23/43/96/157234396.db2.gz ACTMZTNLVWDZEA-LSDHHAIUSA-N 1 0 343.387 1.314 20 5 EDBDRO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090554459 287331140 /nfs/dbraw/zinc/33/11/40/287331140.db2.gz TYVOEUKXPTXGLS-GUYCJALGSA-N 1 0 337.420 1.923 20 5 EDBDRO C[NH+](C)C[C@H]1CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000116795517 287347255 /nfs/dbraw/zinc/34/72/55/287347255.db2.gz SOGRYMSIJJVJHC-YVZNUBBCSA-N 1 0 337.351 1.536 20 5 EDBDRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000158985285 225122083 /nfs/dbraw/zinc/12/20/83/225122083.db2.gz ZPAUMKDGXYOXOK-CYBMUJFWSA-N 1 0 329.360 1.712 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC[C@@H]21 ZINC000122450016 222090689 /nfs/dbraw/zinc/09/06/89/222090689.db2.gz QJZGKCNJYSPJSR-MNOVXSKESA-N 1 0 345.446 1.761 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000194222140 273001340 /nfs/dbraw/zinc/00/13/40/273001340.db2.gz OJXHOABLLMNTFX-UHFFFAOYSA-N 1 0 333.388 1.964 20 5 EDBDRO [NH3+]C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000238058318 273014015 /nfs/dbraw/zinc/01/40/15/273014015.db2.gz IUNMCMRPGUOOLH-LLVKDONJSA-N 1 0 327.768 1.871 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000184217255 267676362 /nfs/dbraw/zinc/67/63/62/267676362.db2.gz KQHGTAWSFCAMIG-UHFFFAOYSA-N 1 0 331.376 1.477 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000273470750 268045846 /nfs/dbraw/zinc/04/58/46/268045846.db2.gz KDHZHDDQKFJPRS-MNOVXSKESA-N 1 0 342.421 1.527 20 5 EDBDRO C[NH+](C)CC(C)(C)CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276121712 268399110 /nfs/dbraw/zinc/39/91/10/268399110.db2.gz YJCHRDLAQLXUGY-UHFFFAOYSA-N 1 0 329.422 1.998 20 5 EDBDRO C[NH+](C)C(C)(C)CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000042017574 273789597 /nfs/dbraw/zinc/78/95/97/273789597.db2.gz ZITKUKBEMNRBLT-UHFFFAOYSA-N 1 0 331.376 1.851 20 5 EDBDRO C[NH+](C)CC1(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000351625415 273794447 /nfs/dbraw/zinc/79/44/47/273794447.db2.gz YBIYYZMEKBECJS-UHFFFAOYSA-N 1 0 343.387 1.995 20 5 EDBDRO CC[C@@H](CO)[NH+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000283988716 274039064 /nfs/dbraw/zinc/03/90/64/274039064.db2.gz JOBSJDXSKMJFBI-NSHDSACASA-N 1 0 329.347 1.762 20 5 EDBDRO CC[NH+](CC)CC(=O)N1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000188375520 276093655 /nfs/dbraw/zinc/09/36/55/276093655.db2.gz TUXPMPARFLWIQC-UHFFFAOYSA-N 1 0 334.420 1.894 20 5 EDBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000286003667 287912535 /nfs/dbraw/zinc/91/25/35/287912535.db2.gz IVRPCZQQUQZPPV-ZDUSSCGKSA-N 1 0 347.375 1.370 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000378247931 276842059 /nfs/dbraw/zinc/84/20/59/276842059.db2.gz FTPGHXFWADJBBF-IVMMDQJWSA-N 1 0 348.403 1.501 20 5 EDBDRO C[NH+]1CCC2(CCCN2C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000371411119 277037256 /nfs/dbraw/zinc/03/72/56/277037256.db2.gz LMZNAPJBNCBUNP-UHFFFAOYSA-N 1 0 336.396 1.061 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000247133776 277083908 /nfs/dbraw/zinc/08/39/08/277083908.db2.gz RVDHGVRFGAHMAT-QWHCGFSZSA-N 1 0 339.417 1.700 20 5 EDBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000358066072 277158658 /nfs/dbraw/zinc/15/86/58/277158658.db2.gz MBBBFAVBYUQSOI-CYBMUJFWSA-N 1 0 347.293 1.410 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000266280811 277204806 /nfs/dbraw/zinc/20/48/06/277204806.db2.gz GHELGKXKUHJFJC-UHFFFAOYSA-N 1 0 338.408 1.116 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000237263496 277275439 /nfs/dbraw/zinc/27/54/39/277275439.db2.gz SJPHQACOTSIGRT-LBPRGKRZSA-N 1 0 344.375 1.247 20 5 EDBDRO COC(=O)CC[N@@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000182113994 277318376 /nfs/dbraw/zinc/31/83/76/277318376.db2.gz BHALGYULGYUWQS-CQSZACIVSA-N 1 0 335.404 1.707 20 5 EDBDRO C[C@@H]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000424003691 277737469 /nfs/dbraw/zinc/73/74/69/277737469.db2.gz DVLXMCFLJUICKL-OCCSQVGLSA-N 1 0 348.403 1.158 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000286310839 287979422 /nfs/dbraw/zinc/97/94/22/287979422.db2.gz WBJRKJBEMISHBC-WCQYABFASA-N 1 0 337.376 1.683 20 5 EDBDRO C[C@@H]1[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCC[N@@H+]1C ZINC000343412421 279124489 /nfs/dbraw/zinc/12/44/89/279124489.db2.gz GFVCZQCLLSVBEW-ZYHUDNBSSA-N 1 0 335.360 1.579 20 5 EDBDRO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151740656 279145522 /nfs/dbraw/zinc/14/55/22/279145522.db2.gz ABPTVZVUWFETEJ-LBPRGKRZSA-N 1 0 329.422 1.745 20 5 EDBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000189144485 279311215 /nfs/dbraw/zinc/31/12/15/279311215.db2.gz YLFPRANSCZZFQN-QWHCGFSZSA-N 1 0 341.433 1.994 20 5 EDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000182901610 279395666 /nfs/dbraw/zinc/39/56/66/279395666.db2.gz HLHKDGXOOXKRJX-LRDDRELGSA-N 1 0 346.387 1.546 20 5 EDBDRO C[C@H]1[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000287202391 288179388 /nfs/dbraw/zinc/17/93/88/288179388.db2.gz DPCJWEHMHKZZIV-NWDGAFQWSA-N 1 0 339.396 1.779 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)n1 ZINC000089952653 280376678 /nfs/dbraw/zinc/37/66/78/280376678.db2.gz OQKBLWPAPJTITH-OLZOCXBDSA-N 1 0 326.422 1.778 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c1 ZINC000420417495 280654812 /nfs/dbraw/zinc/65/48/12/280654812.db2.gz FBBIEARBDXBKRC-MFKMUULPSA-N 1 0 341.433 1.960 20 5 EDBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000265008683 288311933 /nfs/dbraw/zinc/31/19/33/288311933.db2.gz WPXHLINERZWAKQ-NEPJUHHUSA-N 1 0 347.371 1.675 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000289940256 288807837 /nfs/dbraw/zinc/80/78/37/288807837.db2.gz WXPNOXBMUQLTDQ-CQSZACIVSA-N 1 0 336.392 1.952 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000290162720 288850572 /nfs/dbraw/zinc/85/05/72/288850572.db2.gz OEOOVQATHUWYEY-RYUDHWBXSA-N 1 0 335.360 1.050 20 5 EDBDRO COc1ccc(OCC[N@H+](CCO)[C@H]2CCO[C@@H]2C)c([N+](=O)[O-])c1 ZINC000361587838 295186011 /nfs/dbraw/zinc/18/60/11/295186011.db2.gz XBRDODWIUQRPLV-OCCSQVGLSA-N 1 0 340.376 1.454 20 5 EDBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H](C)C1 ZINC000488747888 297305905 /nfs/dbraw/zinc/30/59/05/297305905.db2.gz FZZLGNWLJRKFLN-XQQFMLRXSA-N 1 0 330.392 1.804 20 5 EDBDRO C[C@@H]1C[C@H](C[NH3+])CN1c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000261605199 297398577 /nfs/dbraw/zinc/39/85/77/297398577.db2.gz AGHLGDQNDSSIOQ-GHMZBOCLSA-N 1 0 342.421 1.019 20 5 EDBDRO C[C@@H](NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000419159231 304572780 /nfs/dbraw/zinc/57/27/80/304572780.db2.gz ZAQLUDDAVOWBMC-CHWSQXEVSA-N 1 0 348.403 1.359 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)NCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000419272476 304585301 /nfs/dbraw/zinc/58/53/01/304585301.db2.gz PSIYPVRAJIFSLR-NSHDSACASA-N 1 0 334.376 1.078 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N(C)[C@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000419755870 304680657 /nfs/dbraw/zinc/68/06/57/304680657.db2.gz FNEXSNZXURXXNJ-AWEZNQCLSA-N 1 0 348.403 1.120 20 5 EDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000420281694 304743071 /nfs/dbraw/zinc/74/30/71/304743071.db2.gz MMVMRSYLICFNRP-BDAKNGLRSA-N 1 0 333.435 1.989 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCC[NH2+][C@H]2C)c1[N+](=O)[O-] ZINC000193464265 301557829 /nfs/dbraw/zinc/55/78/29/301557829.db2.gz XKILKHBVQMEHCB-RYUDHWBXSA-N 1 0 327.406 1.630 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1C ZINC000420437875 304757818 /nfs/dbraw/zinc/75/78/18/304757818.db2.gz DCKYJSAATXDQLW-GFCCVEGCSA-N 1 0 349.359 1.487 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)c1C ZINC000262753958 301858829 /nfs/dbraw/zinc/85/88/29/301858829.db2.gz HEIRIGANPQAECP-NEPJUHHUSA-N 1 0 327.406 1.583 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066105913 302045341 /nfs/dbraw/zinc/04/53/41/302045341.db2.gz IBRGMUXIPCHRLQ-CYBMUJFWSA-N 1 0 339.417 1.762 20 5 EDBDRO C[NH+](C)CCn1nccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000294050682 303055947 /nfs/dbraw/zinc/05/59/47/303055947.db2.gz LIWVLZDNTYFSAA-UHFFFAOYSA-N 1 0 348.319 1.513 20 5 EDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000294351067 303095962 /nfs/dbraw/zinc/09/59/62/303095962.db2.gz BDSXXFMAHHLWGM-SNVBAGLBSA-N 1 0 325.340 1.814 20 5 EDBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000295074616 303170430 /nfs/dbraw/zinc/17/04/30/303170430.db2.gz POEVLSVEBKQNMO-NSHDSACASA-N 1 0 331.394 1.021 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)C(C)(C)O ZINC000295136743 303177688 /nfs/dbraw/zinc/17/76/88/303177688.db2.gz KMUDHOZQLKPNJA-JTQLQIEISA-N 1 0 325.365 1.633 20 5 EDBDRO C[C@@H]1CSC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000295304160 303202412 /nfs/dbraw/zinc/20/24/12/303202412.db2.gz XYEKIXQLUFCUCR-MNOVXSKESA-N 1 0 345.446 1.214 20 5 EDBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295395832 303213583 /nfs/dbraw/zinc/21/35/83/303213583.db2.gz YVSLSWYJLROEAG-NSHDSACASA-N 1 0 326.784 1.224 20 5 EDBDRO COC[C@]1(C(=O)OC)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000296350127 303312563 /nfs/dbraw/zinc/31/25/63/303312563.db2.gz QJJGSPMIPICJES-INIZCTEOSA-N 1 0 338.360 1.485 20 5 EDBDRO C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)O1 ZINC000296383552 303314415 /nfs/dbraw/zinc/31/44/15/303314415.db2.gz KQBRZYPMTSGEOL-JTNHKYCSSA-N 1 0 343.405 1.029 20 5 EDBDRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000262394753 303390071 /nfs/dbraw/zinc/39/00/71/303390071.db2.gz BTBUMTNHDHWOTE-SNVBAGLBSA-N 1 0 331.369 1.483 20 5 EDBDRO C[NH+](C)CCOc1cccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000298987284 303575831 /nfs/dbraw/zinc/57/58/31/303575831.db2.gz HHCGNZLMWYRGBC-UHFFFAOYSA-N 1 0 332.360 1.793 20 5 EDBDRO Cc1nn(C)c(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000301573654 303685009 /nfs/dbraw/zinc/68/50/09/303685009.db2.gz PEMQIHMTCGJRJK-VXGBXAGGSA-N 1 0 325.413 1.938 20 5 EDBDRO C[NH+](C)C[C@H]1CN(c2ccc([N+](=O)[O-])cc2OC(F)F)CCO1 ZINC000302072246 303711295 /nfs/dbraw/zinc/71/12/95/303711295.db2.gz ZDXOUVAUUAYHLF-NSHDSACASA-N 1 0 331.319 1.963 20 5 EDBDRO Cc1ccc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1[N+](=O)[O-] ZINC000360021656 303827583 /nfs/dbraw/zinc/82/75/83/303827583.db2.gz NWVFHHWFTGYWOA-DYVFJYSZSA-N 1 0 346.387 1.713 20 5 EDBDRO COc1cc(CN[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414879336 447340585 /nfs/dbraw/zinc/34/05/85/447340585.db2.gz INWJYEDCQZGLIR-JTQLQIEISA-N 1 0 331.319 1.699 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCC2(O)CCOCC2)n1 ZINC000353843050 304811669 /nfs/dbraw/zinc/81/16/69/304811669.db2.gz IAVXUGWGILXVEC-UONOGXRCSA-N 1 0 338.408 1.796 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423226746 304889828 /nfs/dbraw/zinc/88/98/28/304889828.db2.gz SBPNYHIDWPRBNC-HNNXBMFYSA-N 1 0 343.387 1.688 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000427933215 305001500 /nfs/dbraw/zinc/00/15/00/305001500.db2.gz IGAGGSQBVWFADX-VXGBXAGGSA-N 1 0 325.390 1.276 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000427934145 305001676 /nfs/dbraw/zinc/00/16/76/305001676.db2.gz UCPRRNQZCBVAOZ-SECBINFHSA-N 1 0 349.384 1.538 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428041352 305005203 /nfs/dbraw/zinc/00/52/03/305005203.db2.gz HWHUIQBBWPGUIL-GXTWGEPZSA-N 1 0 348.403 1.616 20 5 EDBDRO [NH3+]CC1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000428134406 305008034 /nfs/dbraw/zinc/00/80/34/305008034.db2.gz KWOBSYJONDEUMC-UHFFFAOYSA-N 1 0 329.360 1.591 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)n1 ZINC000428539434 305011090 /nfs/dbraw/zinc/01/10/90/305011090.db2.gz SJYVKKPGDFVCPC-ZDUSSCGKSA-N 1 0 345.359 1.147 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000429148390 305024699 /nfs/dbraw/zinc/02/46/99/305024699.db2.gz DFSLOJHDSMNXRJ-GXTWGEPZSA-N 1 0 348.403 1.301 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000431028348 305073112 /nfs/dbraw/zinc/07/31/12/305073112.db2.gz PJSWXHGILQTAAG-UHFFFAOYSA-N 1 0 339.417 1.667 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)n1 ZINC000432562228 305093902 /nfs/dbraw/zinc/09/39/02/305093902.db2.gz JCTFNTMBBDKLSH-LBPRGKRZSA-N 1 0 339.396 1.042 20 5 EDBDRO COC[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCCO1 ZINC000432622535 305095200 /nfs/dbraw/zinc/09/52/00/305095200.db2.gz NQTWOPSREMDEEJ-PMPSAXMXSA-N 1 0 349.387 1.484 20 5 EDBDRO COC[C@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCCO1 ZINC000434786577 305130168 /nfs/dbraw/zinc/13/01/68/305130168.db2.gz RNVQGIDAANKXNF-GJZGRUSLSA-N 1 0 337.376 1.625 20 5 EDBDRO Cc1cnn(CC2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000438712358 305188475 /nfs/dbraw/zinc/18/84/75/305188475.db2.gz HHHQKQZORUSRRE-INIZCTEOSA-N 1 0 348.407 1.069 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000439586366 305200304 /nfs/dbraw/zinc/20/03/04/305200304.db2.gz IBDDUGZSUDDSPY-CQSZACIVSA-N 1 0 346.387 1.537 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000440436937 305206711 /nfs/dbraw/zinc/20/67/11/305206711.db2.gz JWMYFWKRYJDBBB-LBPRGKRZSA-N 1 0 325.390 1.418 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000447507881 305280793 /nfs/dbraw/zinc/28/07/93/305280793.db2.gz JAMKCADPBZXYTM-ZYHUDNBSSA-N 1 0 335.360 1.165 20 5 EDBDRO CCN(CCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000449084531 305306041 /nfs/dbraw/zinc/30/60/41/305306041.db2.gz HSPIPIGPBDRZNT-CYBMUJFWSA-N 1 0 343.449 1.787 20 5 EDBDRO CCOC(=O)[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CC12COC2 ZINC000451144130 305332578 /nfs/dbraw/zinc/33/25/78/305332578.db2.gz XQLDFSSQMBFGSK-AWEZNQCLSA-N 1 0 334.372 1.915 20 5 EDBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451247748 305335273 /nfs/dbraw/zinc/33/52/73/305335273.db2.gz ACOCZMKBUSPKQO-ZFWWWQNUSA-N 1 0 333.388 1.577 20 5 EDBDRO COc1c(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cccc1[N+](=O)[O-] ZINC000452348774 305391021 /nfs/dbraw/zinc/39/10/21/305391021.db2.gz ANZJGVXROGITQY-LBPRGKRZSA-N 1 0 337.376 1.180 20 5 EDBDRO CC(C)c1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)c1[N+](=O)[O-] ZINC000452362338 305392710 /nfs/dbraw/zinc/39/27/10/305392710.db2.gz KTOBFCBXVVQEIP-LLVKDONJSA-N 1 0 339.396 1.018 20 5 EDBDRO CC(C)(C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000452389007 305397111 /nfs/dbraw/zinc/39/71/11/305397111.db2.gz KWUIMMVUQPWMPJ-INIZCTEOSA-N 1 0 349.431 1.835 20 5 EDBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000456893354 305475879 /nfs/dbraw/zinc/47/58/79/305475879.db2.gz GVXKAHQHZJNPOG-UHFFFAOYSA-N 1 0 340.449 1.802 20 5 EDBDRO CCc1ccc(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000515885586 305729839 /nfs/dbraw/zinc/72/98/39/305729839.db2.gz XWRBOMIFNPQFIP-KRWDZBQOSA-N 1 0 333.388 1.344 20 5 EDBDRO O=C(CC[NH2+]CCCN1CCCCC1=O)Nc1ccccc1[N+](=O)[O-] ZINC000516761531 305741130 /nfs/dbraw/zinc/74/11/30/305741130.db2.gz IDUXLSKQDKHTQU-UHFFFAOYSA-N 1 0 348.403 1.916 20 5 EDBDRO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000516768913 305741415 /nfs/dbraw/zinc/74/14/15/305741415.db2.gz GCPBFXTWPOAAEQ-HNNXBMFYSA-N 1 0 347.396 1.842 20 5 EDBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532397878 305982986 /nfs/dbraw/zinc/98/29/86/305982986.db2.gz PBGWHLZABUSARF-UHFFFAOYSA-N 1 0 336.392 1.609 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000554522764 306194427 /nfs/dbraw/zinc/19/44/27/306194427.db2.gz DMPMZLQUDOBMGM-QWHCGFSZSA-N 1 0 336.392 1.191 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H](CO)[C@@H](O)C3)o2)c1 ZINC000554742187 306197393 /nfs/dbraw/zinc/19/73/93/306197393.db2.gz ULINFNQOVSSJEH-ZFWWWQNUSA-N 1 0 347.371 1.467 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC2CC[NH2+]CC2)c(Cl)c1 ZINC000044509044 440851551 /nfs/dbraw/zinc/85/15/51/440851551.db2.gz CKOXNHYPOPADIM-UHFFFAOYSA-N 1 0 333.797 1.526 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000415434863 447435735 /nfs/dbraw/zinc/43/57/35/447435735.db2.gz WRHUBXWWDBEVHE-LBPRGKRZSA-N 1 0 336.392 1.585 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000071038522 441135938 /nfs/dbraw/zinc/13/59/38/441135938.db2.gz RNESLWDMIWHYQO-UHFFFAOYSA-N 1 0 341.331 1.709 20 5 EDBDRO CNC(=O)c1ccc(NC[C@@H](C)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000057837922 441137668 /nfs/dbraw/zinc/13/76/68/441137668.db2.gz SFGOGNNJMFDIJT-GFCCVEGCSA-N 1 0 335.408 1.002 20 5 EDBDRO CNS(=O)(=O)c1ccc(NCC[NH2+]C(C)(C)C)c([N+](=O)[O-])c1 ZINC000057839508 441137830 /nfs/dbraw/zinc/13/78/30/441137830.db2.gz GVMUDAYZSJMQSJ-UHFFFAOYSA-N 1 0 330.410 1.303 20 5 EDBDRO COC1CC[NH+](CCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000080250441 441154048 /nfs/dbraw/zinc/15/40/48/441154048.db2.gz CTJJMUVSFUZAOJ-UHFFFAOYSA-N 1 0 347.375 1.354 20 5 EDBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000047144651 441159227 /nfs/dbraw/zinc/15/92/27/441159227.db2.gz ULPHGEAPCNOGPC-ZDUSSCGKSA-N 1 0 348.403 1.315 20 5 EDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000047148052 441160546 /nfs/dbraw/zinc/16/05/46/441160546.db2.gz MRWBTLDDIDSFDG-CYBMUJFWSA-N 1 0 348.403 1.173 20 5 EDBDRO C[C@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000105090241 441232673 /nfs/dbraw/zinc/23/26/73/441232673.db2.gz YEDDITJXERFTMG-GFCCVEGCSA-N 1 0 335.408 1.789 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061603883 441280311 /nfs/dbraw/zinc/28/03/11/441280311.db2.gz DHQDGQHSDNNOLR-UHFFFAOYSA-N 1 0 337.351 1.809 20 5 EDBDRO CC(C)(O)C[NH+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000106401353 441340590 /nfs/dbraw/zinc/34/05/90/441340590.db2.gz GLOLTPWFYROHIG-UHFFFAOYSA-N 1 0 346.387 1.605 20 5 EDBDRO Cc1cc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000081764976 441310906 /nfs/dbraw/zinc/31/09/06/441310906.db2.gz DRMLFYZEHDXXIF-CYBMUJFWSA-N 1 0 349.435 1.099 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000106581902 441358944 /nfs/dbraw/zinc/35/89/44/441358944.db2.gz QBOGUUHNMKXDNM-CYBMUJFWSA-N 1 0 335.408 1.661 20 5 EDBDRO O=[N+]([O-])c1ccc2oc(CN3CC[NH+](C[C@H]4CCOC4)CC3)nc2c1 ZINC000083250095 441359449 /nfs/dbraw/zinc/35/94/49/441359449.db2.gz OEQHXLPTFWLYFN-CYBMUJFWSA-N 1 0 346.387 1.890 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000073842217 441359681 /nfs/dbraw/zinc/35/96/81/441359681.db2.gz FFWTXKZOVOLDQU-GFCCVEGCSA-N 1 0 339.417 1.666 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000064305647 441370731 /nfs/dbraw/zinc/37/07/31/441370731.db2.gz XEEPVOHWICFPLT-UHFFFAOYSA-N 1 0 332.360 1.230 20 5 EDBDRO Cc1n[nH]c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1[N+](=O)[O-] ZINC000064354025 441376206 /nfs/dbraw/zinc/37/62/06/441376206.db2.gz CYNQNSYAJWEXAH-LBPRGKRZSA-N 1 0 335.339 1.798 20 5 EDBDRO COC1CC[NH+](CCNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087460492 441491750 /nfs/dbraw/zinc/49/17/50/441491750.db2.gz AAVHSCMFLHVAMP-UHFFFAOYSA-N 1 0 335.404 1.754 20 5 EDBDRO Cc1cc(N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)ncc1[N+](=O)[O-] ZINC000074747436 441462785 /nfs/dbraw/zinc/46/27/85/441462785.db2.gz QEHZETPXULCLKP-OAHLLOKOSA-N 1 0 333.436 1.762 20 5 EDBDRO CC[NH+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000088349573 441504762 /nfs/dbraw/zinc/50/47/62/441504762.db2.gz FFYBLDGDGWJZJM-UHFFFAOYSA-N 1 0 332.404 1.117 20 5 EDBDRO CC[N@H+](CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(C)C ZINC000112928362 441571402 /nfs/dbraw/zinc/57/14/02/441571402.db2.gz VNVCRKJZQUYSFY-UHFFFAOYSA-N 1 0 346.391 1.636 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000067274276 441623082 /nfs/dbraw/zinc/62/30/82/441623082.db2.gz RNNNYDDSOUQOLV-UHFFFAOYSA-N 1 0 325.365 1.058 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[NH+]1CCCCC1 ZINC000041134562 441634865 /nfs/dbraw/zinc/63/48/65/441634865.db2.gz FBPSZYGWFJCNSI-UHFFFAOYSA-N 1 0 334.376 1.444 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000055265228 441635564 /nfs/dbraw/zinc/63/55/64/441635564.db2.gz XIFXHVUNCAKUED-GFCCVEGCSA-N 1 0 341.433 1.913 20 5 EDBDRO CC[N@H+](C)CCNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000091461645 441703565 /nfs/dbraw/zinc/70/35/65/441703565.db2.gz URJGDFUFTFBFMB-UHFFFAOYSA-N 1 0 336.392 1.431 20 5 EDBDRO Cc1c(NC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000041669665 441668634 /nfs/dbraw/zinc/66/86/34/441668634.db2.gz ATIJDZNYURERBA-LBPRGKRZSA-N 1 0 348.403 1.690 20 5 EDBDRO C[NH+]1CCC(N(Cc2ccccc2F)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000068113790 441735218 /nfs/dbraw/zinc/73/52/18/441735218.db2.gz ODUCXBOVMWAHJC-GDBMZVCRSA-N 1 0 335.379 1.914 20 5 EDBDRO CCCNC(=O)C1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000042686755 441769954 /nfs/dbraw/zinc/76/99/54/441769954.db2.gz XZUKYJRLPDUJOD-UHFFFAOYSA-N 1 0 348.403 1.432 20 5 EDBDRO CNS(=O)(=O)c1ccc(N[C@H](C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000068320766 441773563 /nfs/dbraw/zinc/77/35/63/441773563.db2.gz WBRVQMLPNDMQKC-SNVBAGLBSA-N 1 0 330.410 1.255 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC[C@H](C)O ZINC000173571026 441795195 /nfs/dbraw/zinc/79/51/95/441795195.db2.gz SHLSFCPYDBEBJU-NSHDSACASA-N 1 0 325.365 1.635 20 5 EDBDRO COCC[NH+]1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000142439747 441863424 /nfs/dbraw/zinc/86/34/24/441863424.db2.gz HZFHXZITFAJTJJ-UHFFFAOYSA-N 1 0 340.355 1.157 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1C ZINC000160178663 441864319 /nfs/dbraw/zinc/86/43/19/441864319.db2.gz ZZKZCVYFAALSNO-RYUDHWBXSA-N 1 0 327.406 1.712 20 5 EDBDRO CCc1ccc([C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)[NH+](C)C)cc1 ZINC000043271970 441827363 /nfs/dbraw/zinc/82/73/63/441827363.db2.gz NFCCCEYWCWQZNU-HNNXBMFYSA-N 1 0 345.403 1.773 20 5 EDBDRO C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000119113063 441917095 /nfs/dbraw/zinc/91/70/95/441917095.db2.gz RULFRRUARXNFJY-SKDRFNHKSA-N 1 0 327.768 1.697 20 5 EDBDRO COCC[NH+](CCOC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000150209735 441931017 /nfs/dbraw/zinc/93/10/17/441931017.db2.gz WSARWZKEVAGZKW-UHFFFAOYSA-N 1 0 339.392 1.827 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000069469429 441945110 /nfs/dbraw/zinc/94/51/10/441945110.db2.gz ZCQPCQHIABDTLC-HNNXBMFYSA-N 1 0 348.403 1.853 20 5 EDBDRO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000124888029 441963460 /nfs/dbraw/zinc/96/34/60/441963460.db2.gz ZIRPNIIGBZNGNK-IUCAKERBSA-N 1 0 333.797 1.796 20 5 EDBDRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NCCn1cc([N+](=O)[O-])cn1)C2 ZINC000151150007 442015614 /nfs/dbraw/zinc/01/56/14/442015614.db2.gz BMGMCAZVSYDDOP-YHWZYXNKSA-N 1 0 336.396 1.106 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000175269863 442030530 /nfs/dbraw/zinc/03/05/30/442030530.db2.gz REWCTTMPCDMRIW-ZDUSSCGKSA-N 1 0 348.403 1.819 20 5 EDBDRO Nc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000069744327 442031149 /nfs/dbraw/zinc/03/11/49/442031149.db2.gz BONOSLXXLRQVOI-ZDUSSCGKSA-N 1 0 348.403 1.361 20 5 EDBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000175359916 442048367 /nfs/dbraw/zinc/04/83/67/442048367.db2.gz YCXJLDOVRBEXIA-UHFFFAOYSA-N 1 0 329.422 1.913 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000126140653 442083083 /nfs/dbraw/zinc/08/30/83/442083083.db2.gz QTAWSENGLOQESI-UHFFFAOYSA-N 1 0 345.403 1.868 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000162709431 442116734 /nfs/dbraw/zinc/11/67/34/442116734.db2.gz GVZINGCCBDEGNR-UHFFFAOYSA-N 1 0 333.348 1.521 20 5 EDBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)cc1 ZINC000120859700 442143399 /nfs/dbraw/zinc/14/33/99/442143399.db2.gz KOJVPRPWYBHUJB-OAHLLOKOSA-N 1 0 339.417 1.293 20 5 EDBDRO O=C(NCC1CC[NH2+]CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000120574741 442097043 /nfs/dbraw/zinc/09/70/43/442097043.db2.gz VSYWWDJQVSDGBG-UHFFFAOYSA-N 1 0 329.360 1.510 20 5 EDBDRO C[NH2+]CCCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000121156278 442184804 /nfs/dbraw/zinc/18/48/04/442184804.db2.gz GPPBUECPHOFMOG-UHFFFAOYSA-N 1 0 335.282 1.875 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000153133412 442263425 /nfs/dbraw/zinc/26/34/25/442263425.db2.gz ZCQARPKHAGTMBK-GFCCVEGCSA-N 1 0 338.383 1.029 20 5 EDBDRO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000170873544 442280773 /nfs/dbraw/zinc/28/07/73/442280773.db2.gz OTSHGSQNBBDEBX-JTQLQIEISA-N 1 0 333.797 1.573 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000177531114 442354213 /nfs/dbraw/zinc/35/42/13/442354213.db2.gz SKJOISOOLDFMTB-ZDUSSCGKSA-N 1 0 334.376 1.394 20 5 EDBDRO C[C@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000178980468 442543907 /nfs/dbraw/zinc/54/39/07/442543907.db2.gz OYSJNRNVOOXUPZ-FZMZJTMJSA-N 1 0 327.406 1.781 20 5 EDBDRO C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000178979005 442543969 /nfs/dbraw/zinc/54/39/69/442543969.db2.gz KTARFFSUMXIFGD-DOMZBBRYSA-N 1 0 341.433 1.922 20 5 EDBDRO CC(C)C(=O)NCC[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000157520550 442590731 /nfs/dbraw/zinc/59/07/31/442590731.db2.gz HUJXZFRYWWOSQU-AWEZNQCLSA-N 1 0 339.392 1.039 20 5 EDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000157571871 442593866 /nfs/dbraw/zinc/59/38/66/442593866.db2.gz FBOZTJALLJKLOZ-NWDGAFQWSA-N 1 0 330.348 1.033 20 5 EDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000186753587 442605996 /nfs/dbraw/zinc/60/59/96/442605996.db2.gz HLCAHGDQIHHUOA-UHFFFAOYSA-N 1 0 343.387 1.947 20 5 EDBDRO C[C@@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000193038980 442707514 /nfs/dbraw/zinc/70/75/14/442707514.db2.gz WESYZHHFFPZJCL-IUODEOHRSA-N 1 0 341.433 1.922 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[N@@H+](C2CC2)CC1 ZINC000181643669 442707959 /nfs/dbraw/zinc/70/79/59/442707959.db2.gz ZSTFCKIYQWNIIK-HNNXBMFYSA-N 1 0 335.404 1.505 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000193259194 442726858 /nfs/dbraw/zinc/72/68/58/442726858.db2.gz ZLXZTVCJQKDDSX-GFCCVEGCSA-N 1 0 341.433 1.960 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[NH+](C2CCCC2)CC1 ZINC000182205614 442745219 /nfs/dbraw/zinc/74/52/19/442745219.db2.gz ZXWYTKSBTSDOOK-MRXNPFEDSA-N 1 0 349.431 1.895 20 5 EDBDRO C[N@H+](CCc1ccncc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182329971 442757599 /nfs/dbraw/zinc/75/75/99/442757599.db2.gz YEFVMYRXXBPGQG-HNNXBMFYSA-N 1 0 331.372 1.904 20 5 EDBDRO C[N@H+]1C[C@H]2CN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]2C1 ZINC000193612858 442759408 /nfs/dbraw/zinc/75/94/08/442759408.db2.gz IPQHUAYPYZBEQC-BETUJISGSA-N 1 0 329.360 1.638 20 5 EDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000188907854 442840706 /nfs/dbraw/zinc/84/07/06/442840706.db2.gz QOXYSWJYZZGXGU-LBPRGKRZSA-N 1 0 334.376 1.334 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](CO)c2ccccc2)c1 ZINC000182924416 442848265 /nfs/dbraw/zinc/84/82/65/442848265.db2.gz QYTYTBUMLAFNEC-DOTOQJQBSA-N 1 0 332.356 1.658 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268158784 442876112 /nfs/dbraw/zinc/87/61/12/442876112.db2.gz IVDFTSCRIYJCQV-SMDDNHRTSA-N 1 0 346.387 1.441 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[C@@H](COC)C2)c([N+](=O)[O-])c1 ZINC000265837522 442940107 /nfs/dbraw/zinc/94/01/07/442940107.db2.gz VQRKEJKGJBQUJZ-GFCCVEGCSA-N 1 0 337.376 1.900 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000268310172 442941938 /nfs/dbraw/zinc/94/19/38/442941938.db2.gz ZDDQTMIYLNNCCW-OCCSQVGLSA-N 1 0 341.433 1.782 20 5 EDBDRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000189406575 442942985 /nfs/dbraw/zinc/94/29/85/442942985.db2.gz UYOUORDNIBIMOZ-RYUDHWBXSA-N 1 0 336.392 1.768 20 5 EDBDRO Cc1ccc(NCCCNC(=O)N2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000265857609 442947605 /nfs/dbraw/zinc/94/76/05/442947605.db2.gz SHHCYBLRIWDLSE-UHFFFAOYSA-N 1 0 335.408 1.662 20 5 EDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000189421338 442948375 /nfs/dbraw/zinc/94/83/75/442948375.db2.gz AAFQRPCFJWTTEL-AWEZNQCLSA-N 1 0 337.420 1.751 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184581575 443043459 /nfs/dbraw/zinc/04/34/59/443043459.db2.gz VINSXPHPRKYJJL-UHFFFAOYSA-N 1 0 344.799 1.626 20 5 EDBDRO CCO[C@H]1C[C@](CO)([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000190009024 443046996 /nfs/dbraw/zinc/04/69/96/443046996.db2.gz KAPUFVKAQJBSBL-YQQAZPJKSA-N 1 0 338.404 1.784 20 5 EDBDRO CCOC(=O)c1ccnc(NCC[N@H+](C)CCCOC)c1[N+](=O)[O-] ZINC000266213836 443060417 /nfs/dbraw/zinc/06/04/17/443060417.db2.gz GTTKYSDKXKECJD-UHFFFAOYSA-N 1 0 340.380 1.547 20 5 EDBDRO C[C@@H](C[S@@](C)=O)N(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000185141385 443146673 /nfs/dbraw/zinc/14/66/73/443146673.db2.gz ZEKPNVTYZHWWOV-KPWVOAKYSA-N 1 0 327.406 1.256 20 5 EDBDRO C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000261665064 443163346 /nfs/dbraw/zinc/16/33/46/443163346.db2.gz GGYWSSMJDCAWAQ-DOMZBBRYSA-N 1 0 348.403 1.232 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C[C@@H]21 ZINC000261876776 443172939 /nfs/dbraw/zinc/17/29/39/443172939.db2.gz MAJKUNNXCSWNSE-JBLDHEPKSA-N 1 0 343.380 1.482 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000299204255 318887841 /nfs/dbraw/zinc/88/78/41/318887841.db2.gz GRTJZRDAWVFKJU-RISCZKNCSA-N 1 0 334.376 1.250 20 5 EDBDRO O=C(CC[N@@H+]1CCO[C@@]2(CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000185152931 443149037 /nfs/dbraw/zinc/14/90/37/443149037.db2.gz QYCHGKZSYOLHKK-INIZCTEOSA-N 1 0 335.360 1.415 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[NH2+]2)cc1OC ZINC000237050540 443156379 /nfs/dbraw/zinc/15/63/79/443156379.db2.gz YWWTWQPMULYOEA-NSHDSACASA-N 1 0 337.376 1.874 20 5 EDBDRO COC[C@]1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000262473228 443196059 /nfs/dbraw/zinc/19/60/59/443196059.db2.gz JKMYZEUGORVXJA-CQSZACIVSA-N 1 0 327.768 1.747 20 5 EDBDRO COc1cc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])cc1OC ZINC000325163172 318944756 /nfs/dbraw/zinc/94/47/56/318944756.db2.gz HUZGUXUZRJPZTN-JQWIXIFHSA-N 1 0 337.376 1.859 20 5 EDBDRO C[C@H](O)C[N@H+](C)C1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000357612989 319112305 /nfs/dbraw/zinc/11/23/05/319112305.db2.gz MOEHNLVEMDYZMH-JTQLQIEISA-N 1 0 339.421 1.585 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)NC(C)(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000397164608 319133605 /nfs/dbraw/zinc/13/36/05/319133605.db2.gz AGRHJZYUZXIGFX-UHFFFAOYSA-N 1 0 335.813 1.962 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CC[N@H+](CC)C1 ZINC000412829732 319243715 /nfs/dbraw/zinc/24/37/15/319243715.db2.gz ACXCBAYIDHQWLP-NEPJUHHUSA-N 1 0 338.412 1.038 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000414655753 319336667 /nfs/dbraw/zinc/33/66/67/319336667.db2.gz HIXJDAONBUWQFA-UHFFFAOYSA-N 1 0 347.419 1.933 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000414661052 319337641 /nfs/dbraw/zinc/33/76/41/319337641.db2.gz WMPXJWDSHSZTSL-VXGBXAGGSA-N 1 0 338.364 1.573 20 5 EDBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000264544004 443319875 /nfs/dbraw/zinc/31/98/75/443319875.db2.gz ODKDCTOYKWWMPA-RZIFZGNASA-N 1 0 346.387 1.064 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000264571353 443331799 /nfs/dbraw/zinc/33/17/99/443331799.db2.gz HPXUHZMJLFFGKZ-GFCCVEGCSA-N 1 0 334.376 1.612 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000272630068 443388813 /nfs/dbraw/zinc/38/88/13/443388813.db2.gz NCCONWZDFZFQQK-HZMBPMFUSA-N 1 0 329.360 1.637 20 5 EDBDRO CN(CCc1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000282526717 443364452 /nfs/dbraw/zinc/36/44/52/443364452.db2.gz UPFRIYZQYMDIFW-INIZCTEOSA-N 1 0 343.387 1.608 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272582581 443371550 /nfs/dbraw/zinc/37/15/50/443371550.db2.gz GXBKKCBWNBGZFJ-DZGCQCFKSA-N 1 0 333.388 1.916 20 5 EDBDRO CSC1(CNc2c(C(N)=O)cccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000420624459 319630638 /nfs/dbraw/zinc/63/06/38/319630638.db2.gz GZSJIIXFZGHNMR-UHFFFAOYSA-N 1 0 338.433 1.933 20 5 EDBDRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000278785284 443438075 /nfs/dbraw/zinc/43/80/75/443438075.db2.gz WBXYMRJNMOTBQT-HZPDHXFCSA-N 1 0 338.404 1.749 20 5 EDBDRO CC[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000267296313 443409024 /nfs/dbraw/zinc/40/90/24/443409024.db2.gz DRKDVGHWRCISCQ-HZPDHXFCSA-N 1 0 349.435 1.591 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@H](C)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000264923088 443478120 /nfs/dbraw/zinc/47/81/20/443478120.db2.gz QILYFWTVRAFFEJ-LLVKDONJSA-N 1 0 337.376 1.842 20 5 EDBDRO O=[N+]([O-])c1ccccc1OCCN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267439104 443457817 /nfs/dbraw/zinc/45/78/17/443457817.db2.gz PCXHYJWTSUDDOR-OAHLLOKOSA-N 1 0 335.404 1.628 20 5 EDBDRO COC(=O)[C@H](C)C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273039339 443525928 /nfs/dbraw/zinc/52/59/28/443525928.db2.gz OPYOSVOBYHDQOA-NEPJUHHUSA-N 1 0 326.349 1.075 20 5 EDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000273044488 443527507 /nfs/dbraw/zinc/52/75/07/443527507.db2.gz PRLNZFFSTKYLHI-NVXWUHKLSA-N 1 0 346.383 2.000 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(CC[NH3+])CCc2ccccc2)n1 ZINC000423653125 319798295 /nfs/dbraw/zinc/79/82/95/319798295.db2.gz OLUIWRGCTXXLGQ-UHFFFAOYSA-N 1 0 331.376 1.455 20 5 EDBDRO CS(=O)(=O)NC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283137359 443536536 /nfs/dbraw/zinc/53/65/36/443536536.db2.gz NVGJRCVVPMVKBK-GFCCVEGCSA-N 1 0 345.396 1.495 20 5 EDBDRO Cc1ccc(NC(=O)N2CCC([N@H+](C)CCO)CC2)cc1[N+](=O)[O-] ZINC000272322651 443591808 /nfs/dbraw/zinc/59/18/08/443591808.db2.gz IUTOMGMKYMUZNR-UHFFFAOYSA-N 1 0 336.392 1.824 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+](C2CCC2)CC1 ZINC000265132207 443544635 /nfs/dbraw/zinc/54/46/35/443544635.db2.gz NINDJZFSRFJMPI-UHFFFAOYSA-N 1 0 348.403 1.712 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272316837 443590110 /nfs/dbraw/zinc/59/01/10/443590110.db2.gz JZGAOBOMLGRJOQ-DOMZBBRYSA-N 1 0 346.387 1.394 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000286077645 443640890 /nfs/dbraw/zinc/64/08/90/443640890.db2.gz CPROXOOUEOQRDZ-AAEUAGOBSA-N 1 0 334.376 1.697 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000265423097 443637902 /nfs/dbraw/zinc/63/79/02/443637902.db2.gz RJRWHRKHMRNHBA-LBPRGKRZSA-N 1 0 338.364 1.398 20 5 EDBDRO C[C@H]1CCCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H]1C[NH3+] ZINC000429172136 319923061 /nfs/dbraw/zinc/92/30/61/319923061.db2.gz AJMWYPZNCUOOHL-FZMZJTMJSA-N 1 0 349.387 1.494 20 5 EDBDRO C[N@H+](CCO)C1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000272331989 443594135 /nfs/dbraw/zinc/59/41/35/443594135.db2.gz LPZXDBWBGMFHNO-UHFFFAOYSA-N 1 0 341.795 1.777 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272336398 443595094 /nfs/dbraw/zinc/59/50/94/443595094.db2.gz NPUTWDFIQXWANW-JOYOIKCWSA-N 1 0 333.344 1.536 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272336397 443595534 /nfs/dbraw/zinc/59/55/34/443595534.db2.gz NPUTWDFIQXWANW-CABZTGNLSA-N 1 0 333.344 1.536 20 5 EDBDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286155132 443657444 /nfs/dbraw/zinc/65/74/44/443657444.db2.gz WBKNYGLAXMSVRJ-KBRIMQKVSA-N 1 0 335.404 1.423 20 5 EDBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000440071567 320061537 /nfs/dbraw/zinc/06/15/37/320061537.db2.gz BKJHJEHCAVXLNJ-GFCCVEGCSA-N 1 0 329.422 1.745 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448974966 320168218 /nfs/dbraw/zinc/16/82/18/320168218.db2.gz FCPWEGFHAFLAGX-CYBMUJFWSA-N 1 0 329.360 1.605 20 5 EDBDRO C[NH+](C)CCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448977564 320169397 /nfs/dbraw/zinc/16/93/97/320169397.db2.gz YUNCNQATLWAPGM-UHFFFAOYSA-N 1 0 331.376 1.852 20 5 EDBDRO [NH3+]CC[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(F)F ZINC000449612650 320194451 /nfs/dbraw/zinc/19/44/51/320194451.db2.gz NQJIZUGHWKACOB-LLVKDONJSA-N 1 0 339.302 1.493 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000449744744 320203178 /nfs/dbraw/zinc/20/31/78/320203178.db2.gz JNKNVBQGHLURDX-NTZNESFSSA-N 1 0 334.376 1.556 20 5 EDBDRO Cc1c(CNC(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)cccc1[N+](=O)[O-] ZINC000458695743 320338574 /nfs/dbraw/zinc/33/85/74/320338574.db2.gz QFTTXPVDXLFZPA-GASCZTMLSA-N 1 0 348.403 1.566 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493160846 320393643 /nfs/dbraw/zinc/39/36/43/320393643.db2.gz QWUQAUUEGYDYEC-HJWRWDBZSA-N 1 0 334.420 1.608 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)n1 ZINC000286353662 443696764 /nfs/dbraw/zinc/69/67/64/443696764.db2.gz LOLZGMXJIQZFAP-AGUYFDCRSA-N 1 0 347.419 1.794 20 5 EDBDRO CCc1ccc(S(=O)(=O)N(C)CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000516864484 320442001 /nfs/dbraw/zinc/44/20/01/320442001.db2.gz DCZOEPKQPWDSID-UHFFFAOYSA-N 1 0 341.433 1.874 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccsc1 ZINC000298385611 443758253 /nfs/dbraw/zinc/75/82/53/443758253.db2.gz QRNNAZUHLJCWML-LBPRGKRZSA-N 1 0 336.373 1.790 20 5 EDBDRO CC[NH+]1CCN(CCCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000298453929 443772216 /nfs/dbraw/zinc/77/22/16/443772216.db2.gz HTOLXJONYDJPNF-CMDGGOBGSA-N 1 0 346.431 1.752 20 5 EDBDRO C[NH+](C)CC1(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCC1 ZINC000281138984 443830248 /nfs/dbraw/zinc/83/02/48/443830248.db2.gz UZLWEDHAJJVGJE-UHFFFAOYSA-N 1 0 343.387 1.995 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000530674241 320635141 /nfs/dbraw/zinc/63/51/41/320635141.db2.gz MRDFUEJPEXHFRA-VXGBXAGGSA-N 1 0 349.387 1.969 20 5 EDBDRO CNc1ccc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000531395857 320658605 /nfs/dbraw/zinc/65/86/05/320658605.db2.gz HBRHQVDTJDVEDC-CYBMUJFWSA-N 1 0 348.403 1.431 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000281391977 443898752 /nfs/dbraw/zinc/89/87/52/443898752.db2.gz NACKQMGTKVNBGX-XHSDSOJGSA-N 1 0 335.404 1.772 20 5 EDBDRO COC(=O)[C@@H]1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000298788121 443869019 /nfs/dbraw/zinc/86/90/19/443869019.db2.gz ISJBORUYCLTBTC-SNVBAGLBSA-N 1 0 337.332 1.037 20 5 EDBDRO C[N@@H+]1CCN(CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1(C)C ZINC000281553233 443942288 /nfs/dbraw/zinc/94/22/88/443942288.db2.gz CGUUYGUUKDGNKK-UHFFFAOYSA-N 1 0 337.380 1.941 20 5 EDBDRO Cc1ccc(NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000285241263 443909559 /nfs/dbraw/zinc/90/95/59/443909559.db2.gz YPFLBTRQUWJOKB-HUUCEWRRSA-N 1 0 334.376 1.840 20 5 EDBDRO O=c1nc([C@@H]2CCC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)[nH][nH]1 ZINC000288801940 443986865 /nfs/dbraw/zinc/98/68/65/443986865.db2.gz CZVWMBSKHAEOAJ-GFCCVEGCSA-N 1 0 347.375 1.655 20 5 EDBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000293475389 444028293 /nfs/dbraw/zinc/02/82/93/444028293.db2.gz QUQSEBVCMVDIIM-UHFFFAOYSA-N 1 0 337.424 1.133 20 5 EDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285639276 444056630 /nfs/dbraw/zinc/05/66/30/444056630.db2.gz LELAZWXOEAGWRV-DOMZBBRYSA-N 1 0 346.387 1.619 20 5 EDBDRO COc1cc(OCC(=O)NC(C)(C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000293576327 444059218 /nfs/dbraw/zinc/05/92/18/444059218.db2.gz CVSFLXKCYXKTBO-UHFFFAOYSA-N 1 0 325.365 1.616 20 5 EDBDRO C[C@@H](C(=O)NCCN1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000562299497 321050807 /nfs/dbraw/zinc/05/08/07/321050807.db2.gz TUPZXBPQAGVGBY-CYBMUJFWSA-N 1 0 335.404 1.925 20 5 EDBDRO O=C(CC[NH2+]CCN1CCSCC1)Nc1ccccc1[N+](=O)[O-] ZINC000564855271 321151655 /nfs/dbraw/zinc/15/16/55/321151655.db2.gz DTFJFOVWPSLHDS-UHFFFAOYSA-N 1 0 338.433 1.562 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1cccc(CO)n1 ZINC000568632506 321299779 /nfs/dbraw/zinc/29/97/79/321299779.db2.gz UAGCWRUEZRGTNS-CQSZACIVSA-N 1 0 333.344 1.012 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+][C@@H](CO)C2CCCC2)c([N+](=O)[O-])c1 ZINC000289557912 444171390 /nfs/dbraw/zinc/17/13/90/444171390.db2.gz ORLWBILZAKBLCW-AWEZNQCLSA-N 1 0 337.376 1.683 20 5 EDBDRO C[C@@]1(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCC[NH2+]C1 ZINC000285906732 444148428 /nfs/dbraw/zinc/14/84/28/444148428.db2.gz DFVHBNSAJRFVQW-QGZVFWFLSA-N 1 0 343.387 1.900 20 5 EDBDRO Cn1cc(CCC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000573954397 321465186 /nfs/dbraw/zinc/46/51/86/321465186.db2.gz NTSHVCNJRCYQIS-AWEZNQCLSA-N 1 0 334.376 1.290 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(O)c(F)c2)c1 ZINC000574393720 321482571 /nfs/dbraw/zinc/48/25/71/321482571.db2.gz UTHZOFGCQAESNV-ZDUSSCGKSA-N 1 0 336.319 1.969 20 5 EDBDRO CCc1nn(C)c(N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1[N+](=O)[O-] ZINC000574624119 321492741 /nfs/dbraw/zinc/49/27/41/321492741.db2.gz ILCQPYFMVBELKO-DOMZBBRYSA-N 1 0 337.424 1.613 20 5 EDBDRO O=C1CC[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1 ZINC000296299296 444218360 /nfs/dbraw/zinc/21/83/60/444218360.db2.gz IGXYOXRUDFBPQY-CQSZACIVSA-N 1 0 332.404 1.633 20 5 EDBDRO CN(C[C@H](O)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000302696232 444220398 /nfs/dbraw/zinc/22/03/98/444220398.db2.gz WLSIBAPJGIWONF-ZDUSSCGKSA-N 1 0 342.827 1.293 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000296330486 444221127 /nfs/dbraw/zinc/22/11/27/444221127.db2.gz QRFACZAQXLERID-XZJROXQQSA-N 1 0 349.387 1.945 20 5 EDBDRO C[C@@H]1C[N@@H+](CCCCNc2ccc3ncc([N+](=O)[O-])n3n2)C[C@H](C)O1 ZINC000301973353 444198951 /nfs/dbraw/zinc/19/89/51/444198951.db2.gz UVKVQTYQQKRCAA-BETUJISGSA-N 1 0 348.407 1.939 20 5 EDBDRO Cc1cc(NCC(=O)N2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302064141 444202568 /nfs/dbraw/zinc/20/25/68/444202568.db2.gz DMLFSJIHGPVREA-UHFFFAOYSA-N 1 0 330.344 1.722 20 5 EDBDRO CC[NH+]1CCN([C@H]2CCN(c3cc(CO)ccc3[N+](=O)[O-])C2)CC1 ZINC000302062835 444202707 /nfs/dbraw/zinc/20/27/07/444202707.db2.gz SOWLGJJSZCRRTR-HNNXBMFYSA-N 1 0 334.420 1.303 20 5 EDBDRO COc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304331548 444247413 /nfs/dbraw/zinc/24/74/13/444247413.db2.gz VGKTVXYEDINJNG-ZBFHGGJFSA-N 1 0 346.387 1.998 20 5 EDBDRO C[NH2+]CC1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000576598878 321580954 /nfs/dbraw/zinc/58/09/54/321580954.db2.gz DCGPGIXVLMQWFS-UHFFFAOYSA-N 1 0 341.433 1.832 20 5 EDBDRO Cc1cnn([C@H]2CC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000289970747 444225715 /nfs/dbraw/zinc/22/57/15/444225715.db2.gz RCISQWAEIGZHAE-HOTGVXAUSA-N 1 0 346.387 1.786 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000290068886 444238385 /nfs/dbraw/zinc/23/83/85/444238385.db2.gz VFTIWGYKTMWLCA-HOTGVXAUSA-N 1 0 332.404 1.632 20 5 EDBDRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)nn1 ZINC000577750422 321680033 /nfs/dbraw/zinc/68/00/33/321680033.db2.gz DBOYSCUGYLBXJQ-GFCCVEGCSA-N 1 0 330.348 1.122 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c(C)cc1[N+](=O)[O-] ZINC000577769449 321681658 /nfs/dbraw/zinc/68/16/58/321681658.db2.gz LSIMALRFPSMVAN-MFKMUULPSA-N 1 0 341.433 1.817 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000297479030 444291027 /nfs/dbraw/zinc/29/10/27/444291027.db2.gz ZKVWREWHQVLMON-YHAQOWFVSA-N 1 0 337.376 1.810 20 5 EDBDRO [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(Cc1ccccc1[N+](=O)[O-])C2=O ZINC000578190397 321735581 /nfs/dbraw/zinc/73/55/81/321735581.db2.gz GSVQPNDOLJAUGR-WBMJQRKESA-N 1 0 332.360 1.534 20 5 EDBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000324198664 444351593 /nfs/dbraw/zinc/35/15/93/444351593.db2.gz AZFSXBBTGDGPPA-NSHDSACASA-N 1 0 343.380 1.593 20 5 EDBDRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000320226383 444328858 /nfs/dbraw/zinc/32/88/58/444328858.db2.gz VONIXYDFKVFWAD-FZMZJTMJSA-N 1 0 325.390 1.344 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000321585260 444336704 /nfs/dbraw/zinc/33/67/04/444336704.db2.gz IOYLFZMBJKHVPV-GJZGRUSLSA-N 1 0 339.417 1.890 20 5 EDBDRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000327753222 444384018 /nfs/dbraw/zinc/38/40/18/444384018.db2.gz NACWXHGGVSTEEW-DZGCQCFKSA-N 1 0 347.419 1.546 20 5 EDBDRO Cc1cccc(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1[N+](=O)[O-] ZINC000579836782 321976817 /nfs/dbraw/zinc/97/68/17/321976817.db2.gz TVVRENXMIWNUOU-ZDUSSCGKSA-N 1 0 344.375 1.431 20 5 EDBDRO C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000580436850 322051058 /nfs/dbraw/zinc/05/10/58/322051058.db2.gz XDRIHNAKOZJXJA-TURKWSHLSA-N 1 0 336.323 1.403 20 5 EDBDRO CCC[C@@H](C)[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000580649179 322078130 /nfs/dbraw/zinc/07/81/30/322078130.db2.gz OXDTUGSYRZBMOQ-DOMZBBRYSA-N 1 0 344.433 1.755 20 5 EDBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000581368932 322169509 /nfs/dbraw/zinc/16/95/09/322169509.db2.gz SFSRCXALCLYGRP-GDBMZVCRSA-N 1 0 333.388 1.953 20 5 EDBDRO Cc1cc(NCc2cc(C(N)=O)no2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340808386 444518450 /nfs/dbraw/zinc/51/84/50/444518450.db2.gz XNANMSHJHIGYAW-UHFFFAOYSA-N 1 0 327.300 1.572 20 5 EDBDRO CC[C@H]([NH2+]CCCS(=O)(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000342262261 444597300 /nfs/dbraw/zinc/59/73/00/444597300.db2.gz CKQFWSFIAOTBIM-AWEZNQCLSA-N 1 0 329.422 1.917 20 5 EDBDRO CCCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CC(=O)N(C)C1=O ZINC000338329713 444637347 /nfs/dbraw/zinc/63/73/47/444637347.db2.gz BSUZMSKGAVHVGK-ZDUSSCGKSA-N 1 0 345.359 1.440 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000344020561 444731887 /nfs/dbraw/zinc/73/18/87/444731887.db2.gz ANWCFTCQGSOSBV-JGGQBBKZSA-N 1 0 333.388 1.935 20 5 EDBDRO CC(=O)NC1CCC([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000344100606 444781434 /nfs/dbraw/zinc/78/14/34/444781434.db2.gz NKAWKUCHHLZICB-UHFFFAOYSA-N 1 0 336.392 1.136 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000342769033 444858227 /nfs/dbraw/zinc/85/82/27/444858227.db2.gz MOTUCLSVWMPGKJ-UHFFFAOYSA-N 1 0 348.403 1.642 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H](C)OC)c([N+](=O)[O-])c1 ZINC000341511927 444869411 /nfs/dbraw/zinc/86/94/11/444869411.db2.gz MRRSMQWRMMQOEF-OUAUKWLOSA-N 1 0 325.365 1.943 20 5 EDBDRO O=C([C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1)N1CCCC1 ZINC000341610681 444919318 /nfs/dbraw/zinc/91/93/18/444919318.db2.gz UUEMSKIINKBUMI-AWEZNQCLSA-N 1 0 348.403 1.091 20 5 EDBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000330459844 444990493 /nfs/dbraw/zinc/99/04/93/444990493.db2.gz ZZRIGYMMEXTZNN-QWHCGFSZSA-N 1 0 337.424 1.763 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000339140148 445053515 /nfs/dbraw/zinc/05/35/15/445053515.db2.gz KVFWJCNPSVOUFF-CYBMUJFWSA-N 1 0 348.403 1.962 20 5 EDBDRO COc1ccc(OCC[N@@H+]2C[C@@H](OC)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000344669281 445117231 /nfs/dbraw/zinc/11/72/31/445117231.db2.gz BHUSEUACFOMGKQ-AAEUAGOBSA-N 1 0 326.349 1.064 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000330787530 445141251 /nfs/dbraw/zinc/14/12/51/445141251.db2.gz PDHIYRYADDCICL-LBPRGKRZSA-N 1 0 327.406 1.475 20 5 EDBDRO CN(C(=O)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000342095367 445169197 /nfs/dbraw/zinc/16/91/97/445169197.db2.gz GJRBEGYPVHAJTH-VBNZEHGJSA-N 1 0 332.404 1.617 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342111281 445177371 /nfs/dbraw/zinc/17/73/71/445177371.db2.gz UJQQTEYERVCIAQ-MELADBBJSA-N 1 0 332.404 1.901 20 5 EDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCNS(C)(=O)=O ZINC000344864937 445146502 /nfs/dbraw/zinc/14/65/02/445146502.db2.gz SLNOVEHGMMIOSX-XFXZXTDPSA-N 1 0 327.406 1.527 20 5 EDBDRO C[N@H+]1CC=C(CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000343250648 445161557 /nfs/dbraw/zinc/16/15/57/445161557.db2.gz GFPRRXYFKFLMTD-UHFFFAOYSA-N 1 0 347.371 1.287 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)cc([N+](=O)[O-])c1 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EDBDRO C[C@@H]1C[C@@H](CO)C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000420937595 446908513 /nfs/dbraw/zinc/90/85/13/446908513.db2.gz JUYXHFFWVYAWJN-IOASZLSFSA-N 1 0 333.388 1.650 20 5 EDBDRO C[C@@H]1C[C@@H](CO)C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000420937598 446908923 /nfs/dbraw/zinc/90/89/23/446908923.db2.gz JUYXHFFWVYAWJN-XJKCOSOUSA-N 1 0 333.388 1.650 20 5 EDBDRO C[C@H](NC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000419152930 446969640 /nfs/dbraw/zinc/96/96/40/446969640.db2.gz OVSSXBYCDWKGDS-HUBLWGQQSA-N 1 0 348.403 1.358 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000425058708 447006889 /nfs/dbraw/zinc/00/68/89/447006889.db2.gz PEGGLXCIJSDGEC-IINYFYTJSA-N 1 0 329.360 1.637 20 5 EDBDRO CC(C)(O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000368725145 447068015 /nfs/dbraw/zinc/06/80/15/447068015.db2.gz RQSBFMOUTXWESH-UHFFFAOYSA-N 1 0 338.364 1.786 20 5 EDBDRO C[C@@H]1C[C@H]1C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421395536 447149507 /nfs/dbraw/zinc/14/95/07/447149507.db2.gz YUBPCZRLXTXWDF-NEPJUHHUSA-N 1 0 327.406 1.461 20 5 EDBDRO COc1cc(OCC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000377583800 447223277 /nfs/dbraw/zinc/22/32/77/447223277.db2.gz HWRMKZCKSNIHMR-KRWDZBQOSA-N 1 0 349.387 1.584 20 5 EDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421704735 447225301 /nfs/dbraw/zinc/22/53/01/447225301.db2.gz PPLBXPDLYZBHOR-HNNXBMFYSA-N 1 0 348.403 1.267 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)CCO1 ZINC000372705362 447234365 /nfs/dbraw/zinc/23/43/65/447234365.db2.gz UHVBMLVGALTNOB-GFCCVEGCSA-N 1 0 348.403 1.502 20 5 EDBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450324073 447455300 /nfs/dbraw/zinc/45/53/00/447455300.db2.gz MGUOJOYYAHBCRE-OAHLLOKOSA-N 1 0 343.387 1.895 20 5 EDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415530427 447498383 /nfs/dbraw/zinc/49/83/83/447498383.db2.gz OIMZQXBLRWYEAA-QOARYFPJSA-N 1 0 346.387 1.556 20 5 EDBDRO CCCN(CCN1CC[NH+](CC)CC1)c1ncc([N+](=O)[O-])c(C)n1 ZINC000450534003 447518555 /nfs/dbraw/zinc/51/85/55/447518555.db2.gz ZNWVNDLLXLYYCO-UHFFFAOYSA-N 1 0 336.440 1.547 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000426941989 447519962 /nfs/dbraw/zinc/51/99/62/447519962.db2.gz GZZSWVQPVWATRR-ZDUSSCGKSA-N 1 0 337.376 1.444 20 5 EDBDRO O=[N+]([O-])c1cnc2ccccc2c1NC[C@H]1CCC[N@H+]1CCCO ZINC000450598534 447534376 /nfs/dbraw/zinc/53/43/76/447534376.db2.gz RASCIFVXYYIKOS-CYBMUJFWSA-N 1 0 330.388 1.824 20 5 EDBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422555893 447641755 /nfs/dbraw/zinc/64/17/55/447641755.db2.gz RHFMNRVFHGECPQ-UHFFFAOYSA-N 1 0 339.417 1.295 20 5 EDBDRO O=C(c1ccc(NC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000420163732 447648436 /nfs/dbraw/zinc/64/84/36/447648436.db2.gz FSKMSVXZIXMXOX-CYBMUJFWSA-N 1 0 348.403 1.479 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CCCOC)CC2)n1 ZINC000427473442 447603177 /nfs/dbraw/zinc/60/31/77/447603177.db2.gz WPEKWEIJMGXSLM-UHFFFAOYSA-N 1 0 339.396 1.042 20 5 EDBDRO COC(=O)c1cnc(NCCC[NH2+]Cc2cccnc2)c([N+](=O)[O-])c1 ZINC000420183456 447659081 /nfs/dbraw/zinc/65/90/81/447659081.db2.gz MFKBGYCQLVPZRJ-UHFFFAOYSA-N 1 0 345.359 1.763 20 5 EDBDRO C[C@@H]1CN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000420195288 447666067 /nfs/dbraw/zinc/66/60/67/447666067.db2.gz VPHGJLCJMNOGHW-DGCLKSJQSA-N 1 0 343.387 1.733 20 5 EDBDRO C[NH+](C)CCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000431406097 447801981 /nfs/dbraw/zinc/80/19/81/447801981.db2.gz YFURKGSYJVAPEF-UHFFFAOYSA-N 1 0 343.387 1.947 20 5 EDBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1OC ZINC000575742686 447887225 /nfs/dbraw/zinc/88/72/25/447887225.db2.gz PWJHAUIVSINVPA-BVUBDWEXSA-N 1 0 340.376 1.117 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000523545081 447891654 /nfs/dbraw/zinc/89/16/54/447891654.db2.gz LCEKMDZDWMWJCM-UHFFFAOYSA-N 1 0 343.387 1.920 20 5 EDBDRO O=C1N=NCN1C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000575822666 447907479 /nfs/dbraw/zinc/90/74/79/447907479.db2.gz FZNQGOARSPXORY-UHFFFAOYSA-N 1 0 333.348 1.608 20 5 EDBDRO COc1ccc(CC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000530767264 447952730 /nfs/dbraw/zinc/95/27/30/447952730.db2.gz LTXZMILINYRVEB-YPMHNXCESA-N 1 0 333.388 1.887 20 5 EDBDRO CNc1nccc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000552997098 447966931 /nfs/dbraw/zinc/96/69/31/447966931.db2.gz WGRUAZLTJFDFAM-CYBMUJFWSA-N 1 0 349.435 2.273 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000576457418 448059648 /nfs/dbraw/zinc/05/96/48/448059648.db2.gz IFUGOUUDMSCPHL-CQSZACIVSA-N 1 0 331.376 1.696 20 5 EDBDRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])O1 ZINC000570862070 448078042 /nfs/dbraw/zinc/07/80/42/448078042.db2.gz GJYCTCQUGKPXGK-XFJVYGCCSA-N 1 0 333.388 1.808 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)c(C)cc1[N+](=O)[O-] ZINC000576649560 448106396 /nfs/dbraw/zinc/10/63/96/448106396.db2.gz NWXNALFUJKFAAN-HNNXBMFYSA-N 1 0 341.433 1.880 20 5 EDBDRO COCC[NH2+]C1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000576833117 448151954 /nfs/dbraw/zinc/15/19/54/448151954.db2.gz DQFTWCZQTZHMJQ-UHFFFAOYSA-N 1 0 347.375 1.312 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000532196865 448214744 /nfs/dbraw/zinc/21/47/44/448214744.db2.gz GONWLCQMUKWCTE-RYUDHWBXSA-N 1 0 340.405 1.095 20 5 EDBDRO O=[N+]([O-])c1cncc(Br)c1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591437016 448363088 /nfs/dbraw/zinc/36/30/88/448363088.db2.gz DPIBSJZJOOOCSM-SCZZXKLOSA-N 1 0 327.182 1.941 20 5 EDBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591437692 448363379 /nfs/dbraw/zinc/36/33/79/448363379.db2.gz IMXDLDMCOAPDLD-WPRPVWTQSA-N 1 0 327.182 1.941 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000591587268 448395998 /nfs/dbraw/zinc/39/59/98/448395998.db2.gz ALPAESWRDRDYKD-CVEARBPZSA-N 1 0 345.399 1.364 20 5 EDBDRO O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000566183605 448408430 /nfs/dbraw/zinc/40/84/30/448408430.db2.gz UAZXHKFTSRHGEY-AWEZNQCLSA-N 1 0 338.751 1.422 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000566223383 448418279 /nfs/dbraw/zinc/41/82/79/448418279.db2.gz ACRINEHMHKUOCA-CQSZACIVSA-N 1 0 341.433 1.824 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2cc3ccccc3o2)c1 ZINC000577741444 448375017 /nfs/dbraw/zinc/37/50/17/448375017.db2.gz LCCWOUUPURTHFR-CQSZACIVSA-N 1 0 330.344 1.731 20 5 EDBDRO C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@H]1C[NH3+] ZINC000591676569 448446424 /nfs/dbraw/zinc/44/64/24/448446424.db2.gz XVLSRFWYWNRRRN-MFKMUULPSA-N 1 0 335.360 1.565 20 5 EDBDRO COc1ccccc1[C@H]([NH3+])CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000591681141 448449084 /nfs/dbraw/zinc/44/90/84/448449084.db2.gz RSYQBQUDFTWXPA-CYBMUJFWSA-N 1 0 347.375 1.351 20 5 EDBDRO Cc1ccccc1C1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000591734995 448476015 /nfs/dbraw/zinc/47/60/15/448476015.db2.gz HARRAAKABWCCBN-HNNXBMFYSA-N 1 0 330.388 1.782 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCc2c[nH]c3ccccc23)c1 ZINC000591736302 448477364 /nfs/dbraw/zinc/47/73/64/448477364.db2.gz OHEOHFSVDZFVCW-OAHLLOKOSA-N 1 0 343.387 1.856 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCc3cc(O)ccc3C2)c1 ZINC000591763593 448484653 /nfs/dbraw/zinc/48/46/53/448484653.db2.gz MWHKTWMELFRZPO-BBRMVZONSA-N 1 0 332.360 1.005 20 5 EDBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cc[nH]c(=O)c1 ZINC000591768667 448487548 /nfs/dbraw/zinc/48/75/48/448487548.db2.gz RIJJMOWRRPEJIK-SMDDNHRTSA-N 1 0 333.344 1.786 20 5 EDBDRO CC[C@H]1C[N@H+](C)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000584406715 448514505 /nfs/dbraw/zinc/51/45/05/448514505.db2.gz BJKPXXPTBXENNU-AWEZNQCLSA-N 1 0 332.404 1.510 20 5 EDBDRO C[NH2+]C1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 ZINC000584528339 448558120 /nfs/dbraw/zinc/55/81/20/448558120.db2.gz QAFJOOKYQBFUDL-UHFFFAOYSA-N 1 0 348.403 1.255 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccnc(C(F)(F)F)c2)c1 ZINC000573200110 448566103 /nfs/dbraw/zinc/56/61/03/448566103.db2.gz XODLYQYMLMESLM-NSHDSACASA-N 1 0 345.281 1.356 20 5 EDBDRO C[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)S(C)(=O)=O ZINC000537945248 448575491 /nfs/dbraw/zinc/57/54/91/448575491.db2.gz GVVWVILSUVGQOZ-FZMZJTMJSA-N 1 0 326.418 1.939 20 5 EDBDRO COc1ccc(CNC(=O)N2CCC(CC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000584475166 448541490 /nfs/dbraw/zinc/54/14/90/448541490.db2.gz WIOTZKYGMDCXQZ-UHFFFAOYSA-N 1 0 336.392 1.874 20 5 EDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC000591984893 448611007 /nfs/dbraw/zinc/61/10/07/448611007.db2.gz JRBDRMSOSDOQAV-NSHDSACASA-N 1 0 344.375 1.094 20 5 EDBDRO CCc1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000592012889 448625852 /nfs/dbraw/zinc/62/58/52/448625852.db2.gz ODHPKJQWJJJSMH-UHFFFAOYSA-N 1 0 341.433 1.921 20 5 EDBDRO C[NH+]1CCC2(CC1)CN(c1ncnc3ccc([N+](=O)[O-])cc31)CCO2 ZINC000591992686 448614473 /nfs/dbraw/zinc/61/44/73/448614473.db2.gz SJUMCBFAFULQEB-UHFFFAOYSA-N 1 0 343.387 1.839 20 5 EDBDRO CCn1nc(C)c(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1C ZINC000578740348 448622718 /nfs/dbraw/zinc/62/27/18/448622718.db2.gz CSQUQECXZVSGKP-OAHLLOKOSA-N 1 0 348.403 1.958 20 5 EDBDRO C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000518315175 448663906 /nfs/dbraw/zinc/66/39/06/448663906.db2.gz ZBISMLXHBWGVJP-CJNGLKHVSA-N 1 0 335.404 1.661 20 5 EDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000578988892 448687242 /nfs/dbraw/zinc/68/72/42/448687242.db2.gz RACPMPFJKSCHQE-NEPJUHHUSA-N 1 0 348.403 1.328 20 5 EDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000578988899 448687454 /nfs/dbraw/zinc/68/74/54/448687454.db2.gz RACPMPFJKSCHQE-VXGBXAGGSA-N 1 0 348.403 1.328 20 5 EDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000567522232 448710253 /nfs/dbraw/zinc/71/02/53/448710253.db2.gz JZUVWGPMZPMLDX-GFCCVEGCSA-N 1 0 327.406 1.584 20 5 EDBDRO Cc1cc(C)cc(OCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000579111275 448716871 /nfs/dbraw/zinc/71/68/71/448716871.db2.gz ZOHSQQKLGWNXOA-OAHLLOKOSA-N 1 0 334.376 1.438 20 5 EDBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000592187006 448728005 /nfs/dbraw/zinc/72/80/05/448728005.db2.gz VBDXOGFALWOZPW-LRDDRELGSA-N 1 0 333.388 1.963 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000567711882 448745580 /nfs/dbraw/zinc/74/55/80/448745580.db2.gz UHZGHBJCCKGGOE-CHWSQXEVSA-N 1 0 332.360 1.136 20 5 EDBDRO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3ccc([N+](=O)[O-])cn3)n1)OC2 ZINC000579289209 448758997 /nfs/dbraw/zinc/75/89/97/448758997.db2.gz GDTKYFRHUNAKBY-DOMZBBRYSA-N 1 0 331.332 1.966 20 5 EDBDRO CCOc1cc(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000592243692 448760505 /nfs/dbraw/zinc/76/05/05/448760505.db2.gz CWUIUDGLSZXWSK-DGCLKSJQSA-N 1 0 349.387 1.826 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000592243732 448760980 /nfs/dbraw/zinc/76/09/80/448760980.db2.gz DHLRNAYUIOTTKW-GXFFZTMASA-N 1 0 333.344 1.190 20 5 EDBDRO O=C(NCc1nc([C@@H]2CCC[NH2+]2)no1)NCc1ccc([N+](=O)[O-])cc1 ZINC000592357316 448804558 /nfs/dbraw/zinc/80/45/58/448804558.db2.gz VYSMRKAVRWMNME-LBPRGKRZSA-N 1 0 346.347 1.402 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000592367556 448807792 /nfs/dbraw/zinc/80/77/92/448807792.db2.gz SYWINIBDXXFSGV-JTQLQIEISA-N 1 0 329.378 1.024 20 5 EDBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC[C@@H]1CCS(=O)(=O)C1 ZINC000586773534 448808188 /nfs/dbraw/zinc/80/81/88/448808188.db2.gz YEYCSZZPOHTDHM-CYBMUJFWSA-N 1 0 326.418 1.894 20 5 EDBDRO CC[NH2+]CCCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000567850301 448773546 /nfs/dbraw/zinc/77/35/46/448773546.db2.gz IHISPGWNJYDHQG-UHFFFAOYSA-N 1 0 338.389 1.421 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592381896 448814433 /nfs/dbraw/zinc/81/44/33/448814433.db2.gz JGXXTUGEVTUYCI-STQMWFEESA-N 1 0 341.433 1.960 20 5 EDBDRO C[C@H]1CC[N@H+](CCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000545356591 448792430 /nfs/dbraw/zinc/79/24/30/448792430.db2.gz FWYRRZLMNWGLNT-LBPRGKRZSA-N 1 0 327.406 1.356 20 5 EDBDRO CC1([NH3+])CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000592328488 448793199 /nfs/dbraw/zinc/79/31/99/448793199.db2.gz KFBBAITUQRNUDN-UHFFFAOYSA-N 1 0 330.344 1.802 20 5 EDBDRO C[C@]1(CO)CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000545398710 448794387 /nfs/dbraw/zinc/79/43/87/448794387.db2.gz ZYKAMWVNVRHQDE-MRXNPFEDSA-N 1 0 335.360 1.740 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000592342965 448799650 /nfs/dbraw/zinc/79/96/50/448799650.db2.gz QZZLMBYMYNHTDS-CJNGLKHVSA-N 1 0 348.403 1.657 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000592390441 448820892 /nfs/dbraw/zinc/82/08/92/448820892.db2.gz SSTQVWUDRDWXGX-AWEZNQCLSA-N 1 0 339.417 1.578 20 5 EDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@H]1CCC[NH2+]C1 ZINC000519696728 448821107 /nfs/dbraw/zinc/82/11/07/448821107.db2.gz DVDKRNVVQQMCGB-MNOVXSKESA-N 1 0 335.360 1.484 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000592428563 448831678 /nfs/dbraw/zinc/83/16/78/448831678.db2.gz AUGTVSYIIFWHAX-TVQRCGJNSA-N 1 0 331.319 1.744 20 5 EDBDRO CC[C@@H](C)C[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592430653 448833093 /nfs/dbraw/zinc/83/30/93/448833093.db2.gz YNSARAVSRUECIF-OLZOCXBDSA-N 1 0 344.433 1.755 20 5 EDBDRO CN(CCN1CC[NH2+]CC1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000592469611 448850560 /nfs/dbraw/zinc/85/05/60/448850560.db2.gz VZIIDXXOQVGYTB-UHFFFAOYSA-N 1 0 343.387 1.120 20 5 EDBDRO CS[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@H]1[NH+](C)C ZINC000588007931 448855855 /nfs/dbraw/zinc/85/58/55/448855855.db2.gz SONMNWBSSMMNQQ-CHWSQXEVSA-N 1 0 326.422 1.151 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC(C)([NH3+])CC1 ZINC000592484448 448856183 /nfs/dbraw/zinc/85/61/83/448856183.db2.gz CFXDAZJFJJVEBV-NSHDSACASA-N 1 0 336.392 1.744 20 5 EDBDRO COc1cc(OCC(=O)N[C@@H]2CC[NH2+]C23CCCC3)ccc1[N+](=O)[O-] ZINC000592570574 448905050 /nfs/dbraw/zinc/90/50/50/448905050.db2.gz NVNBNZMCCCDJGX-OAHLLOKOSA-N 1 0 349.387 1.773 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000547731021 448920751 /nfs/dbraw/zinc/92/07/51/448920751.db2.gz RQIWLGJCDCOFBX-ZDUSSCGKSA-N 1 0 347.350 1.744 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(C)([NH3+])CC1 ZINC000592543836 448890324 /nfs/dbraw/zinc/89/03/24/448890324.db2.gz PBLMPRJKCZZLDT-NSHDSACASA-N 1 0 334.376 1.053 20 5 EDBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588862546 448941116 /nfs/dbraw/zinc/94/11/16/448941116.db2.gz FIILNHYAZNZUCH-GXTWGEPZSA-N 1 0 339.779 1.529 20 5 EDBDRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000588867186 448943271 /nfs/dbraw/zinc/94/32/71/448943271.db2.gz LBVSPZJKYPNYPZ-JTQLQIEISA-N 1 0 327.768 1.435 20 5 EDBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588864044 448943614 /nfs/dbraw/zinc/94/36/14/448943614.db2.gz XVZOBXDDIYKVOA-CHWSQXEVSA-N 1 0 344.371 1.357 20 5 EDBDRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000574988143 449007070 /nfs/dbraw/zinc/00/70/70/449007070.db2.gz LWXIEJCZOCWUNI-RDJZCZTQSA-N 1 0 347.415 1.882 20 5 EDBDRO C[NH+](C)CCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593574022 449082651 /nfs/dbraw/zinc/08/26/51/449082651.db2.gz WZEWZIURPIJDBE-UHFFFAOYSA-N 1 0 342.421 1.342 20 5 EDBDRO Nc1nccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000548413909 449037865 /nfs/dbraw/zinc/03/78/65/449037865.db2.gz RERNYWFJUGCVHU-UHFFFAOYSA-N 1 0 333.392 1.663 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c1C ZINC000589930110 449084793 /nfs/dbraw/zinc/08/47/93/449084793.db2.gz SQQWYPVKRRKAPX-GXTWGEPZSA-N 1 0 339.417 1.536 20 5 EDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC1([NH3+])CCOCC1 ZINC000599931349 449112929 /nfs/dbraw/zinc/11/29/29/449112929.db2.gz ZXLGMEQGSBJIAE-UHFFFAOYSA-N 1 0 336.392 1.287 20 5 EDBDRO Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000600030491 449154413 /nfs/dbraw/zinc/15/44/13/449154413.db2.gz DSUZSKGDDXSYGW-CYBMUJFWSA-N 1 0 348.403 1.690 20 5 EDBDRO CC[N@@H+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000611091820 449166183 /nfs/dbraw/zinc/16/61/83/449166183.db2.gz UNFLBJIKGLWUPU-ZDUSSCGKSA-N 1 0 332.404 1.510 20 5 EDBDRO Cc1cc(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000590399075 449147039 /nfs/dbraw/zinc/14/70/39/449147039.db2.gz FMGCKZOEJYRSCT-UHFFFAOYSA-N 1 0 332.404 1.223 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000590398792 449147612 /nfs/dbraw/zinc/14/76/12/449147612.db2.gz ALQYRPYICSMIEH-CVEARBPZSA-N 1 0 349.387 1.295 20 5 EDBDRO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3nn(C)cc3[N+](=O)[O-])C2)cc1 ZINC000601879442 449202913 /nfs/dbraw/zinc/20/29/13/449202913.db2.gz IHVFRPQLTXWXQV-CQSZACIVSA-N 1 0 343.387 1.641 20 5 EDBDRO CCCC(=O)NC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000611184946 449207023 /nfs/dbraw/zinc/20/70/23/449207023.db2.gz GCFUELLTQSXQLL-UHFFFAOYSA-N 1 0 336.392 1.137 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000611195865 449211057 /nfs/dbraw/zinc/21/10/57/449211057.db2.gz AZLMBXVOPUFHTF-GFCCVEGCSA-N 1 0 346.387 1.917 20 5 EDBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000611201647 449213802 /nfs/dbraw/zinc/21/38/02/449213802.db2.gz MOBDLZFZPAPYSD-GFCCVEGCSA-N 1 0 329.360 1.605 20 5 EDBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000611207166 449215053 /nfs/dbraw/zinc/21/50/53/449215053.db2.gz LLIAYANMNBDJLW-MEBBXXQBSA-N 1 0 337.376 1.633 20 5 EDBDRO CCc1ccc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC000593234528 449181353 /nfs/dbraw/zinc/18/13/53/449181353.db2.gz JNXNZVKCKAMBAZ-UHFFFAOYSA-N 1 0 348.403 1.003 20 5 EDBDRO C[C@@H](CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[NH+](C)C ZINC000598000522 449186649 /nfs/dbraw/zinc/18/66/49/449186649.db2.gz VLGGGTJGOGRFGP-LBPRGKRZSA-N 1 0 331.376 1.851 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000590563889 449192142 /nfs/dbraw/zinc/19/21/42/449192142.db2.gz VLDIYXFJLZCTNH-HZPDHXFCSA-N 1 0 348.403 1.328 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601959240 449245633 /nfs/dbraw/zinc/24/56/33/449245633.db2.gz IBBZVATXBKJIDK-UWVGGRQHSA-N 1 0 333.435 1.726 20 5 EDBDRO O=C([C@H]1CCC[NH2+]CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000593901209 449273285 /nfs/dbraw/zinc/27/32/85/449273285.db2.gz BNGZQZZPSJXVNK-AWEZNQCLSA-N 1 0 332.404 1.633 20 5 EDBDRO Cc1nn(C)c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000600227423 449255002 /nfs/dbraw/zinc/25/50/02/449255002.db2.gz BJDSXNAFKYBQDU-ZDUSSCGKSA-N 1 0 335.408 1.774 20 5 EDBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593911116 449280653 /nfs/dbraw/zinc/28/06/53/449280653.db2.gz DECLNYXCTXMPHC-FMKPAKJESA-N 1 0 333.388 1.953 20 5 EDBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593913895 449282053 /nfs/dbraw/zinc/28/20/53/449282053.db2.gz YFSDEOYPGQRKNI-IIAWOOMASA-N 1 0 333.388 1.953 20 5 EDBDRO [NH3+]CC1(CCNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000593914995 449283100 /nfs/dbraw/zinc/28/31/00/449283100.db2.gz SFYKZLZBKULXKI-UHFFFAOYSA-N 1 0 330.348 1.034 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000593918032 449285033 /nfs/dbraw/zinc/28/50/33/449285033.db2.gz AABGQEKVYDYIML-DAXOMENPSA-N 1 0 348.403 1.799 20 5 EDBDRO COC(=O)c1c(Cl)c(N2C[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000596082822 449354763 /nfs/dbraw/zinc/35/47/63/449354763.db2.gz NRIVBGIMFGTMRE-DTORHVGOSA-N 1 0 325.752 1.690 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000602117066 449358156 /nfs/dbraw/zinc/35/81/56/449358156.db2.gz OBTWXCRWTVJNGY-BJJXKVORSA-N 1 0 333.388 1.944 20 5 EDBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)c2c1 ZINC000611711120 449390294 /nfs/dbraw/zinc/39/02/94/449390294.db2.gz RTXKFPCDKVXKDO-HOTGVXAUSA-N 1 0 343.387 1.573 20 5 EDBDRO C[NH+](C)CC(C)(C)CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598583601 449475103 /nfs/dbraw/zinc/47/51/03/449475103.db2.gz BVRQXJAJVHYXSB-UHFFFAOYSA-N 1 0 338.412 1.221 20 5 EDBDRO COC(=O)c1ccnc(NCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000598585307 449477449 /nfs/dbraw/zinc/47/74/49/449477449.db2.gz ABVKMBKMSAMDRJ-GFCCVEGCSA-N 1 0 336.392 2.453 20 5 EDBDRO CC(C)[N@H+](C)CCCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598590814 449480379 /nfs/dbraw/zinc/48/03/79/449480379.db2.gz QLNOLYWFQFYAAU-UHFFFAOYSA-N 1 0 338.412 1.364 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594392652 449489693 /nfs/dbraw/zinc/48/96/93/449489693.db2.gz JLMDDSRDTZGSKD-UONOGXRCSA-N 1 0 333.388 1.411 20 5 EDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600750464 449533382 /nfs/dbraw/zinc/53/33/82/449533382.db2.gz WPCPMHNEBIZTSW-JLZZUVOBSA-N 1 0 332.404 1.853 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000594474596 449540516 /nfs/dbraw/zinc/54/05/16/449540516.db2.gz LANLESMFYQIVLB-OTVXOJSOSA-N 1 0 341.433 1.397 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594485098 449549747 /nfs/dbraw/zinc/54/97/47/449549747.db2.gz WGPDSTRMJMZZTP-LSDHHAIUSA-N 1 0 339.417 1.890 20 5 EDBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H]1OC ZINC000614247611 449524453 /nfs/dbraw/zinc/52/44/53/449524453.db2.gz BOVXKLGAGQCZOI-LYRGGWFBSA-N 1 0 338.360 1.648 20 5 EDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1 ZINC000600806753 449555490 /nfs/dbraw/zinc/55/54/90/449555490.db2.gz FOMGGQURDSKBQI-JTQLQIEISA-N 1 0 325.390 1.113 20 5 EDBDRO CC(C)(C(=O)N1CC[NH2+]C2(CCCCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000594629049 449599208 /nfs/dbraw/zinc/59/92/08/449599208.db2.gz ZEFNBALPGMABDQ-UHFFFAOYSA-N 1 0 335.408 1.661 20 5 EDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2COCC[NH2+]2)nc1-c1ccc(F)cc1 ZINC000600953970 449614281 /nfs/dbraw/zinc/61/42/81/449614281.db2.gz IKHUDOCZUATWMB-CYBMUJFWSA-N 1 0 332.335 2.196 20 5 EDBDRO Cn1c2cc([N+](=O)[O-])c(N3CCCCC[C@H]([NH3+])C3)cc2n(C)c1=O ZINC000600958977 449616282 /nfs/dbraw/zinc/61/62/82/449616282.db2.gz OEZGFWLWXJCURC-NSHDSACASA-N 1 0 333.392 1.493 20 5 EDBDRO O=[N+]([O-])c1cc(I)ccc1N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000600962391 449618574 /nfs/dbraw/zinc/61/85/74/449618574.db2.gz WKYRMPFZRRQCNH-IUCAKERBSA-N 1 0 345.140 1.750 20 5 EDBDRO COCC[NH+]1CCC(NCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602527826 449651622 /nfs/dbraw/zinc/65/16/22/449651622.db2.gz HKSJCCDDUGCHOS-UHFFFAOYSA-N 1 0 334.376 1.936 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601041229 449670635 /nfs/dbraw/zinc/67/06/35/449670635.db2.gz WFSFDQIDNLGUEU-LLVKDONJSA-N 1 0 325.340 1.575 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000598913205 449644538 /nfs/dbraw/zinc/64/45/38/449644538.db2.gz FESLFVCDQDGIIS-JTQLQIEISA-N 1 0 328.756 1.830 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000598913510 449644616 /nfs/dbraw/zinc/64/46/16/449644616.db2.gz JSBLPXRHUMSCAT-ZDUSSCGKSA-N 1 0 332.360 1.324 20 5 EDBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601151232 449718821 /nfs/dbraw/zinc/71/88/21/449718821.db2.gz TYGBMNIHADLERK-INIZCTEOSA-N 1 0 346.431 1.379 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1COCCN1C ZINC000599076694 449719415 /nfs/dbraw/zinc/71/94/15/449719415.db2.gz FAHKLGYEPQTQEM-DOMZBBRYSA-N 1 0 336.392 1.232 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000599103386 449735461 /nfs/dbraw/zinc/73/54/61/449735461.db2.gz PZYKMAUGCRXAFK-AWEZNQCLSA-N 1 0 341.433 1.776 20 5 EDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000602597986 449695178 /nfs/dbraw/zinc/69/51/78/449695178.db2.gz XGZAPALYZYNACE-YUMQZZPRSA-N 1 0 328.166 1.919 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601188556 449740144 /nfs/dbraw/zinc/74/01/44/449740144.db2.gz JMAUQVJNNUEMJA-INIZCTEOSA-N 1 0 331.376 1.431 20 5 EDBDRO CN1CC[NH+](CC2CN(c3nccc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000599109277 449742834 /nfs/dbraw/zinc/74/28/34/449742834.db2.gz RHQAUYKEIFBWAN-UHFFFAOYSA-N 1 0 341.415 1.827 20 5 EDBDRO CS[C@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000602809841 449825802 /nfs/dbraw/zinc/82/58/02/449825802.db2.gz QVHXMZBEUJQNQD-KBPBESRZSA-N 1 0 339.465 1.611 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(CC[NH+](C)C)CC(=O)N(C)C ZINC000597203909 449868868 /nfs/dbraw/zinc/86/88/68/449868868.db2.gz ANLYSJBFMHONJT-RVDMUPIBSA-N 1 0 348.447 1.950 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000595107979 449872733 /nfs/dbraw/zinc/87/27/33/449872733.db2.gz NUOZXABBUCMLQK-BXKDBHETSA-N 1 0 327.406 1.488 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)nc1 ZINC000595109589 449874269 /nfs/dbraw/zinc/87/42/69/449874269.db2.gz YUPKLCGWCCFUQI-UHFFFAOYSA-N 1 0 340.405 1.144 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000602876674 449885411 /nfs/dbraw/zinc/88/54/11/449885411.db2.gz IPPHNVSWKBGXFD-INIZCTEOSA-N 1 0 333.392 1.360 20 5 EDBDRO O=[N+]([O-])c1cccc(CCNS(=O)(=O)CCC[NH+]2CCCC2)c1 ZINC000601379702 449895344 /nfs/dbraw/zinc/89/53/44/449895344.db2.gz NCGJFMGTRIGGDQ-UHFFFAOYSA-N 1 0 341.433 1.543 20 5 EDBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000614852896 449847325 /nfs/dbraw/zinc/84/73/25/449847325.db2.gz RJDJIBDPJRIFCN-ZDUSSCGKSA-N 1 0 339.395 1.334 20 5 EDBDRO COC[C@H](CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)OC ZINC000595060642 449852461 /nfs/dbraw/zinc/85/24/61/449852461.db2.gz NGGYGKQZXUJFTI-BFHYXJOUSA-N 1 0 326.397 1.916 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3CN(C)C[C@@H]32)c([N+](=O)[O-])s1 ZINC000601419808 449936569 /nfs/dbraw/zinc/93/65/69/449936569.db2.gz OBGDSJYKPKUHSA-UWVGGRQHSA-N 1 0 331.419 1.289 20 5 EDBDRO CC1([NH+]2CCCC2)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000602950809 449952637 /nfs/dbraw/zinc/95/26/37/449952637.db2.gz NOEWOGYOQLXITN-HNNXBMFYSA-N 1 0 337.424 1.103 20 5 EDBDRO C[C@]1(CO)C[C@H](O)CN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000602899754 449906467 /nfs/dbraw/zinc/90/64/67/449906467.db2.gz RQTMBEPRBJKICR-WCQYABFASA-N 1 0 334.294 1.931 20 5 EDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000602959775 449960311 /nfs/dbraw/zinc/96/03/11/449960311.db2.gz GPGFGKVRNISOAH-QWHCGFSZSA-N 1 0 333.392 1.811 20 5 EDBDRO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000601439485 449960569 /nfs/dbraw/zinc/96/05/69/449960569.db2.gz RKYNKKNAVGKVEE-LBPRGKRZSA-N 1 0 327.406 1.700 20 5 EDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000602961051 449962653 /nfs/dbraw/zinc/96/26/53/449962653.db2.gz TVSGTADHBXCYSL-INIZCTEOSA-N 1 0 333.392 1.670 20 5 EDBDRO COc1cc(C(=O)NC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000609383414 450020982 /nfs/dbraw/zinc/02/09/82/450020982.db2.gz ZQWHBMZTMCIAQF-LLVKDONJSA-N 1 0 337.376 1.684 20 5 EDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601541728 450063308 /nfs/dbraw/zinc/06/33/08/450063308.db2.gz KEJINOFHDRWKON-LLVKDONJSA-N 1 0 327.356 1.557 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[NH2+][C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000595410071 450122083 /nfs/dbraw/zinc/12/20/83/450122083.db2.gz ALKDZGOLNGPLFD-AWEZNQCLSA-N 1 0 341.433 1.776 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000595413991 450126407 /nfs/dbraw/zinc/12/64/07/450126407.db2.gz ZAQNPGRTVLWKJX-NSHDSACASA-N 1 0 343.405 1.222 20 5 EDBDRO CC(=O)NC[C@@H]1CCCCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000599703328 450165727 /nfs/dbraw/zinc/16/57/27/450165727.db2.gz PGISAPSNIXPBQR-AWEZNQCLSA-N 1 0 348.403 1.832 20 5 EDBDRO C[C@@H]1C[NH+](CCN2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000595523470 450204923 /nfs/dbraw/zinc/20/49/23/450204923.db2.gz JUMPHTGSXPEGGI-HUUCEWRRSA-N 1 0 349.435 1.221 20 5 EDBDRO C[C@H]1CCCN1C(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000610335805 450194487 /nfs/dbraw/zinc/19/44/87/450194487.db2.gz COJDBUSGJLHJJV-AWEZNQCLSA-N 1 0 347.419 1.513 20 5 EDBDRO O=[N+]([O-])c1ncccc1N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000603422246 450294070 /nfs/dbraw/zinc/29/40/70/450294070.db2.gz DQQGBWLTYFTCOF-AWEZNQCLSA-N 1 0 335.408 1.198 20 5 EDBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000618924351 450342779 /nfs/dbraw/zinc/34/27/79/450342779.db2.gz YJQMHNNQMLALHI-OAHLLOKOSA-N 1 0 325.340 1.263 20 5 EDBDRO CC[NH+](CC)Cc1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)o1 ZINC000610874534 450363302 /nfs/dbraw/zinc/36/33/02/450363302.db2.gz BYLWQIVGTGRYME-UHFFFAOYSA-N 1 0 335.364 1.656 20 5 EDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000610896767 450371269 /nfs/dbraw/zinc/37/12/69/450371269.db2.gz AKFJPVBWBGSNSA-YPMHNXCESA-N 1 0 347.371 1.880 20 5 EDBDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000619432677 450472337 /nfs/dbraw/zinc/47/23/37/450472337.db2.gz CAICPPPEXHURGH-ZDUSSCGKSA-N 1 0 349.387 1.714 20 5 EDBDRO Cc1nn(CCC(=O)NCC23CCC[NH+]2CCC3)c(C)c1[N+](=O)[O-] ZINC000619574178 450509832 /nfs/dbraw/zinc/50/98/32/450509832.db2.gz XWCWVSLLSXOLCW-UHFFFAOYSA-N 1 0 335.408 1.543 20 5 EDBDRO O=C(NCC[NH+]1CCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000078632836 491003554 /nfs/dbraw/zinc/00/35/54/491003554.db2.gz BHUYLEXQXUDHHV-UHFFFAOYSA-N 1 0 329.360 1.606 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000190033804 534367211 /nfs/dbraw/zinc/36/72/11/534367211.db2.gz VNXOHRCTWGRXGS-HNNXBMFYSA-N 1 0 346.387 1.620 20 5 EDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000131500614 534776404 /nfs/dbraw/zinc/77/64/04/534776404.db2.gz BHCDRKIGBCAHMA-PYUISTEWSA-N 1 0 347.415 1.961 20 5 EDBDRO CC(=O)NC[C@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000181505278 526797384 /nfs/dbraw/zinc/79/73/84/526797384.db2.gz RUXKXJCLYPCFOK-AWEZNQCLSA-N 1 0 344.371 1.793 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1OC ZINC000157713999 528335132 /nfs/dbraw/zinc/33/51/32/528335132.db2.gz CLFNCNYQCZDPTK-JQWIXIFHSA-N 1 0 337.376 1.859 20 5 EDBDRO CC(C)C[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178000165 528474099 /nfs/dbraw/zinc/47/40/99/528474099.db2.gz SWOQUQOGENTXRT-LBPRGKRZSA-N 1 0 329.422 1.897 20 5 EDBDRO CC[N@@H+]1CCC[C@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000332447639 535575379 /nfs/dbraw/zinc/57/53/79/535575379.db2.gz DPGMAPZYHZKJSQ-ZDUSSCGKSA-N 1 0 349.387 1.509 20 5 EDBDRO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237048115 535846452 /nfs/dbraw/zinc/84/64/52/535846452.db2.gz HZPZGRAMMSPPBM-SWLSCSKDSA-N 1 0 348.403 1.253 20 5 EDBDRO C[NH+](C)CCN1CCC(Nc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347425500 535873525 /nfs/dbraw/zinc/87/35/25/535873525.db2.gz JZKAMVIDACZEIL-UHFFFAOYSA-N 1 0 344.419 1.976 20 5 EDBDRO CNS(=O)(=O)c1ccc(NCC2([NH3+])CCCCC2)c([N+](=O)[O-])c1 ZINC000261889985 536319291 /nfs/dbraw/zinc/31/92/91/536319291.db2.gz NOUYKUOJLPLLLO-UHFFFAOYSA-N 1 0 342.421 1.576 20 5 EDBDRO CCN(CC)C(=O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000726606328 578351178 /nfs/dbraw/zinc/35/11/78/578351178.db2.gz FSAAJXIQUUAFCL-UHFFFAOYSA-N 1 0 345.403 1.953 20 5 EDBDRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000729418855 578571945 /nfs/dbraw/zinc/57/19/45/578571945.db2.gz IZGBTCNMHFRHBX-GFCCVEGCSA-N 1 0 331.376 1.355 20 5 EDBDRO CC(C)(CO)[NH+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000760204109 580025709 /nfs/dbraw/zinc/02/57/09/580025709.db2.gz NDVSPPNZPHFMLS-VMPITWQZSA-N 1 0 333.388 1.523 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)cc([N+](=O)[O-])c1 ZINC000733165194 578745438 /nfs/dbraw/zinc/74/54/38/578745438.db2.gz IGCGRKNMSSPFCW-AWEZNQCLSA-N 1 0 337.376 1.697 20 5 EDBDRO O=C(NC1CC1)N[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000760907693 580041191 /nfs/dbraw/zinc/04/11/91/580041191.db2.gz ONBKKWRKCFNVBZ-DZGCQCFKSA-N 1 0 334.376 1.164 20 5 EDBDRO O=C(C[N@@H+]1CC[C@@H]2C[C@@H]21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000761093398 580047952 /nfs/dbraw/zinc/04/79/52/580047952.db2.gz NSGYBBWSOLANJR-CJNGLKHVSA-N 1 0 330.388 1.338 20 5 EDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736859252 579027778 /nfs/dbraw/zinc/02/77/78/579027778.db2.gz YACXTRHKXZASLL-LLVKDONJSA-N 1 0 331.380 1.553 20 5 EDBDRO CS(=O)(=O)N1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761519906 580058621 /nfs/dbraw/zinc/05/86/21/580058621.db2.gz KRGCRTQRJUSOKX-LLVKDONJSA-N 1 0 347.824 1.762 20 5 EDBDRO CNC(=O)C1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCCC1 ZINC000744403824 579509666 /nfs/dbraw/zinc/50/96/66/579509666.db2.gz WFUFLVPCHDVYLB-UHFFFAOYSA-N 1 0 334.376 1.490 20 5 EDBDRO CC[NH+]1CCN(CCNC(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000752356343 579846717 /nfs/dbraw/zinc/84/67/17/579846717.db2.gz UXUMKVJDNWYJPF-CCEZHUSRSA-N 1 0 346.431 1.752 20 5 EDBDRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000756146123 579944428 /nfs/dbraw/zinc/94/44/28/579944428.db2.gz LUHYEKVAKOEHKF-RYUDHWBXSA-N 1 0 331.376 1.496 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000758332479 579980112 /nfs/dbraw/zinc/98/01/12/579980112.db2.gz CAKCSXOBXDMCPM-RISCZKNCSA-N 1 0 347.371 1.385 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](CCO)C1CC1 ZINC000771799092 580294275 /nfs/dbraw/zinc/29/42/75/580294275.db2.gz JJJSWNWNEJEHNH-CYBMUJFWSA-N 1 0 337.376 1.683 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1 ZINC000776277420 580413718 /nfs/dbraw/zinc/41/37/18/580413718.db2.gz PCFGDYWPQGQMBX-GOEBONIOSA-N 1 0 343.387 1.677 20 5 EDBDRO Cn1cc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000783742486 580605088 /nfs/dbraw/zinc/60/50/88/580605088.db2.gz ONKVAPREYHDLHJ-WMLDXEAASA-N 1 0 328.372 1.810 20 5 EDBDRO O=C(OCCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000786884685 580682847 /nfs/dbraw/zinc/68/28/47/580682847.db2.gz XOPMCYNNCNWFJF-OAHLLOKOSA-N 1 0 349.387 1.707 20 5 EDBDRO Cc1nn(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000788383689 580720401 /nfs/dbraw/zinc/72/04/01/580720401.db2.gz MQDAQFGQLRYUFN-MRXNPFEDSA-N 1 0 329.360 1.422 20 5 EDBDRO CN(Cn1c(=O)oc2cccc([N+](=O)[O-])c21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000794629567 580900600 /nfs/dbraw/zinc/90/06/00/580900600.db2.gz XCAYVKMNCVNDHI-LBPRGKRZSA-N 1 0 332.360 1.629 20 5 EDBDRO O=C(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NCC(F)F ZINC000795846372 580939080 /nfs/dbraw/zinc/93/90/80/580939080.db2.gz WIGDADUKUYIYKY-UHFFFAOYSA-N 1 0 342.346 1.535 20 5 EDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000893045970 590633483 /nfs/dbraw/zinc/63/34/83/590633483.db2.gz BWIXQRCPALFGOP-IUODEOHRSA-N 1 0 337.399 1.591 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000893157707 590687606 /nfs/dbraw/zinc/68/76/06/590687606.db2.gz AAWCAKVFRYUHHX-UHFFFAOYSA-N 1 0 336.440 1.182 20 5 EDBDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1c([N+](=O)[O-])cnn1C ZINC000893283882 590753697 /nfs/dbraw/zinc/75/36/97/590753697.db2.gz APFXJVKLARNPMR-KRWDZBQOSA-N 1 0 345.403 1.402 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000892697725 591136318 /nfs/dbraw/zinc/13/63/18/591136318.db2.gz WAAUAEYNANBSJK-UHFFFAOYSA-N 1 0 336.440 1.691 20 5 EDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000891612061 591149786 /nfs/dbraw/zinc/14/97/86/591149786.db2.gz JMDSCNYLXABINQ-CYBMUJFWSA-N 1 0 335.408 1.790 20 5 EDBDRO COC(=O)[C@@H]1[C@H](C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1(F)F ZINC000894207482 591229228 /nfs/dbraw/zinc/22/92/28/591229228.db2.gz XWJLZONTJSXWMJ-CABZTGNLSA-N 1 0 330.287 1.747 20 5 EDBDRO COCCN1CC[C@@H]([NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892972286 591243208 /nfs/dbraw/zinc/24/32/08/591243208.db2.gz VZWCQZQGZYYEEI-GFCCVEGCSA-N 1 0 325.365 1.119 20 5 EDBDRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895773034 591270705 /nfs/dbraw/zinc/27/07/05/591270705.db2.gz XQNBQNBYECNDAH-CYBMUJFWSA-N 1 0 339.779 1.633 20 5 EDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000727174913 591648611 /nfs/dbraw/zinc/64/86/11/591648611.db2.gz JLVWMFXVELPWEJ-LBPRGKRZSA-N 1 0 333.392 1.791 20 5 EDBDRO C[N@@H+]1CC[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000897066733 591732141 /nfs/dbraw/zinc/73/21/41/591732141.db2.gz XEIJDPRLMFRJFV-HOTGVXAUSA-N 1 0 343.387 1.601 20 5 EDBDRO COc1cc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])cc1C ZINC000897218482 591773532 /nfs/dbraw/zinc/77/35/32/591773532.db2.gz DFZUVDOSCOEWCZ-KBPBESRZSA-N 1 0 335.404 1.947 20 5 EDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)s1 ZINC000897220562 591774557 /nfs/dbraw/zinc/77/45/57/591774557.db2.gz XNQUBUDSFDOGCX-RYUDHWBXSA-N 1 0 349.416 1.635 20 5 EDBDRO CC[NH+]1CCC(NC(=O)COc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000902234959 591952211 /nfs/dbraw/zinc/95/22/11/591952211.db2.gz QSCBOBBLVPLUIT-UHFFFAOYSA-N 1 0 325.340 1.713 20 5 EDBDRO C[C@@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000900380478 592002037 /nfs/dbraw/zinc/00/20/37/592002037.db2.gz MGWIMIAWSZATQG-GDBMZVCRSA-N 1 0 348.447 1.848 20 5 EDBDRO COCC[C@@H]1C[NH2+]CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000900436721 592017416 /nfs/dbraw/zinc/01/74/16/592017416.db2.gz OKNIQOUUFFBFKE-SECBINFHSA-N 1 0 345.197 1.567 20 5 EDBDRO COC[C@@H]1C[NH2+]CCN1c1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000900449943 592020854 /nfs/dbraw/zinc/02/08/54/592020854.db2.gz KBUVNQXKDFPXPH-ZDUSSCGKSA-N 1 0 336.392 1.158 20 5 EDBDRO [NH3+]CC[C@@H]1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000900475937 592035618 /nfs/dbraw/zinc/03/56/18/592035618.db2.gz UMFZVCAKCDBYOI-SNVBAGLBSA-N 1 0 329.303 1.764 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906676647 592258364 /nfs/dbraw/zinc/25/83/64/592258364.db2.gz ODLFUZDXZJQJHW-LLVKDONJSA-N 1 0 335.360 1.580 20 5 EDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000901186133 592268723 /nfs/dbraw/zinc/26/87/23/592268723.db2.gz KRLRGHJEDQXEIA-CYBMUJFWSA-N 1 0 333.747 1.430 20 5 EDBDRO Cc1cc(F)cc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000908203262 592380639 /nfs/dbraw/zinc/38/06/39/592380639.db2.gz LVPRJXVCRHHNRH-GFCCVEGCSA-N 1 0 325.340 1.229 20 5 EDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000908414085 592486742 /nfs/dbraw/zinc/48/67/42/592486742.db2.gz JXIXFTVVYIYFNL-WCQYABFASA-N 1 0 349.387 1.921 20 5 EDBDRO COc1cc(CC[NH2+]C[C@@](C)(O)C(F)F)c([N+](=O)[O-])cc1OC ZINC000905890994 592669355 /nfs/dbraw/zinc/66/93/55/592669355.db2.gz DROLOWPPTVWYRW-CQSZACIVSA-N 1 0 334.319 1.760 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000911634385 592971300 /nfs/dbraw/zinc/97/13/00/592971300.db2.gz NEUHHMLLUZWCDR-WBMJQRKESA-N 1 0 346.387 1.546 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](CCCO)Cc2ccccn2)cc1 ZINC000805754919 593137741 /nfs/dbraw/zinc/13/77/41/593137741.db2.gz IFRXSUXQCUAJQX-KRWDZBQOSA-N 1 0 331.372 1.908 20 5 EDBDRO C/C(=C/C(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000784662567 593140533 /nfs/dbraw/zinc/14/05/33/593140533.db2.gz VSXUSMMPIOGVSX-OWBHPGMISA-N 1 0 347.415 1.913 20 5 EDBDRO C[N@@H+]1CCC[C@@]2(CCN(Cn3c(=O)oc4cccc([N+](=O)[O-])c43)C2)C1 ZINC000840088075 593158138 /nfs/dbraw/zinc/15/81/38/593158138.db2.gz XOQVAKAMAIIBNX-QGZVFWFLSA-N 1 0 346.387 1.878 20 5 EDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000796117386 593191820 /nfs/dbraw/zinc/19/18/20/593191820.db2.gz YJSJOLZJUCPYKA-QWRGUYRKSA-N 1 0 345.446 1.904 20 5 EDBDRO CO[C@H]1CCCN(Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)C1 ZINC000103265061 593239818 /nfs/dbraw/zinc/23/98/18/593239818.db2.gz FEAOTBTYMOCSNL-AWEZNQCLSA-N 1 0 346.387 1.924 20 5 EDBDRO O=[N+]([O-])c1cccnc1N1CCN(C[C@@H](O)c2ccc(F)cn2)CC1 ZINC000839032830 593255943 /nfs/dbraw/zinc/25/59/43/593255943.db2.gz UYVGTNPQRBLOAT-OAHLLOKOSA-N 1 0 347.350 1.380 20 5 EDBDRO COC(=O)[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000839631142 593355553 /nfs/dbraw/zinc/35/55/53/593355553.db2.gz VHUQNSZNGCZORV-LBPRGKRZSA-N 1 0 325.340 1.271 20 5 EDBDRO CCN1CCO[C@H](C(=O)OCCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000805473843 593456987 /nfs/dbraw/zinc/45/69/87/593456987.db2.gz ITFZUMDSAZFMNX-HNNXBMFYSA-N 1 0 338.360 1.628 20 5 EDBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000813615970 593543826 /nfs/dbraw/zinc/54/38/26/593543826.db2.gz YSMYAMBVOYGKIV-SECBINFHSA-N 1 0 326.353 1.913 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818015735 593657406 /nfs/dbraw/zinc/65/74/06/593657406.db2.gz COFDAFZFJAGHKR-MRXNPFEDSA-N 1 0 333.344 1.334 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCCC[C@H]1CCC[NH2+]1 ZINC000818594289 593706517 /nfs/dbraw/zinc/70/65/17/593706517.db2.gz CUYJIPZHMSZEKN-CYBMUJFWSA-N 1 0 331.376 1.593 20 5 EDBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000818971967 593731328 /nfs/dbraw/zinc/73/13/28/593731328.db2.gz SFTAWEWUDQFWQF-ZDUSSCGKSA-N 1 0 331.376 1.497 20 5 EDBDRO CNC(=O)c1cccc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819095977 593738638 /nfs/dbraw/zinc/73/86/38/593738638.db2.gz WHXTXZRVQXLJNC-QGZVFWFLSA-N 1 0 343.383 1.820 20 5 EDBDRO C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC000820656573 593855173 /nfs/dbraw/zinc/85/51/73/593855173.db2.gz GPAKISBBVPGWHO-GHMZBOCLSA-N 1 0 331.380 1.694 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000824086045 593925939 /nfs/dbraw/zinc/92/59/39/593925939.db2.gz MOBGMKIOOHODQY-KGLIPLIRSA-N 1 0 339.367 1.958 20 5 EDBDRO COC[C@]1(c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)CC[NH2+]C1 ZINC000822862002 594112920 /nfs/dbraw/zinc/11/29/20/594112920.db2.gz GLILKOHYVMUKLL-INIZCTEOSA-N 1 0 332.360 1.755 20 5 EDBDRO [NH3+]CCCCn1cc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)nn1 ZINC000823069958 594148040 /nfs/dbraw/zinc/14/80/40/594148040.db2.gz WGCWGUDJKSIMFV-UHFFFAOYSA-N 1 0 335.349 1.704 20 5 EDBDRO CS[C@@H]1CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000826227710 594388137 /nfs/dbraw/zinc/38/81/37/594388137.db2.gz WKWYTYSNKIADIQ-QWHCGFSZSA-N 1 0 349.420 1.257 20 5 EDBDRO CC(C)(CCC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[N+](=O)[O-] ZINC000826558897 594526149 /nfs/dbraw/zinc/52/61/49/594526149.db2.gz CPKDOOCFEPCUCU-UHFFFAOYSA-N 1 0 341.452 1.925 20 5 EDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@]2(OCCO)CCOC2)cc1Cl ZINC000826940293 594606508 /nfs/dbraw/zinc/60/65/08/594606508.db2.gz CCFXRXGLPRPYOW-AWEZNQCLSA-N 1 0 330.768 1.506 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827289172 594658779 /nfs/dbraw/zinc/65/87/79/594658779.db2.gz QGYNDQOZCWRSIV-CABZTGNLSA-N 1 0 347.400 1.766 20 5 EDBDRO CN(CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)c1ccccc1[N+](=O)[O-] ZINC000827308501 594659919 /nfs/dbraw/zinc/65/99/19/594659919.db2.gz BRUSKFWEAWWZEP-KGLIPLIRSA-N 1 0 332.404 1.584 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000831570453 594684053 /nfs/dbraw/zinc/68/40/53/594684053.db2.gz HQIMKQQUKPAOHU-MRXNPFEDSA-N 1 0 329.360 1.157 20 5 EDBDRO C[NH+](C)CCCNC(=S)NNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000840790436 594816601 /nfs/dbraw/zinc/81/66/01/594816601.db2.gz ZXQPDNAYFGHKRE-UHFFFAOYSA-N 1 0 331.829 1.991 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000841175348 594863572 /nfs/dbraw/zinc/86/35/72/594863572.db2.gz DINYWCVJENOTKP-GZMMTYOYSA-N 1 0 338.339 1.177 20 5 EDBDRO CN(C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000841259735 594877541 /nfs/dbraw/zinc/87/75/41/594877541.db2.gz VBVFUWLDYAWNSS-UHFFFAOYSA-N 1 0 326.740 1.135 20 5 EDBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000842163359 595026765 /nfs/dbraw/zinc/02/67/65/595026765.db2.gz NAYXPQKXMDFYKL-NEPJUHHUSA-N 1 0 338.364 1.390 20 5 EDBDRO C[NH+](C)CC(C)(C)NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000837239537 595064401 /nfs/dbraw/zinc/06/44/01/595064401.db2.gz USYYVMXMKXOKSR-AWEZNQCLSA-N 1 0 334.376 1.544 20 5 EDBDRO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000843342615 595080279 /nfs/dbraw/zinc/08/02/79/595080279.db2.gz NDSMQOHUSNPLAQ-UHFFFAOYSA-N 1 0 342.355 1.195 20 5 EDBDRO C[NH2+]C[C@H]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000843349442 595083033 /nfs/dbraw/zinc/08/30/33/595083033.db2.gz ZOBSQCCEPHJLAT-SNVBAGLBSA-N 1 0 326.784 1.728 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)C[NH+](C)C)cc1F ZINC000867296975 595107189 /nfs/dbraw/zinc/10/71/89/595107189.db2.gz YLRBMTKGQCZZNQ-VIFPVBQESA-N 1 0 333.385 1.518 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)OCC[N@@H+](C)Cc1ccccc1 ZINC000837475613 595120237 /nfs/dbraw/zinc/12/02/37/595120237.db2.gz IQNKKMLEMCKSCR-UHFFFAOYSA-N 1 0 332.360 1.775 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000843475302 595122874 /nfs/dbraw/zinc/12/28/74/595122874.db2.gz KVQYPNNHYMGUMI-QWRGUYRKSA-N 1 0 340.311 1.583 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000834563221 595162913 /nfs/dbraw/zinc/16/29/13/595162913.db2.gz BETISLLQEYPVAY-BJRSVTDJSA-N 1 0 347.415 1.913 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000843791206 595187231 /nfs/dbraw/zinc/18/72/31/595187231.db2.gz PJORPMUDJFVFDE-UHFFFAOYSA-N 1 0 329.784 1.898 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843804432 595190601 /nfs/dbraw/zinc/19/06/01/595190601.db2.gz GAWKSDFLXGGTRW-UHFFFAOYSA-N 1 0 327.356 1.740 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)cc1 ZINC000843106125 595288266 /nfs/dbraw/zinc/28/82/66/595288266.db2.gz HPRCQFDKQCIDCN-CGTJXYLNSA-N 1 0 346.383 1.702 20 5 EDBDRO CC(C)[C@@H]([NH3+])c1noc(-c2cn(-c3cccc([N+](=O)[O-])c3)nn2)n1 ZINC000843153565 595296723 /nfs/dbraw/zinc/29/67/23/595296723.db2.gz WOGIRFRNFBVVCQ-GFCCVEGCSA-N 1 0 329.320 1.881 20 5 EDBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])c2nonc21)[NH+]1CCOCC1 ZINC000844189692 595297408 /nfs/dbraw/zinc/29/74/08/595297408.db2.gz RWJJIBZGQRZNSJ-CYBMUJFWSA-N 1 0 335.364 1.900 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CONC(=[NH2+])COC(C)C)c1 ZINC000844763462 595392213 /nfs/dbraw/zinc/39/22/13/595392213.db2.gz MMQQSJZKCGIBNG-UHFFFAOYSA-N 1 0 325.321 1.805 20 5 EDBDRO CC[C@@H]1C[N@H+](C)CCN1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848490513 595394442 /nfs/dbraw/zinc/39/44/42/595394442.db2.gz OKKBVRMANUTZCM-NVXWUHKLSA-N 1 0 346.431 1.894 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1 ZINC000848529755 595402873 /nfs/dbraw/zinc/40/28/73/595402873.db2.gz ZSNIDNJZDMIONE-DLBZAZTESA-N 1 0 335.404 1.471 20 5 EDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848582498 595409234 /nfs/dbraw/zinc/40/92/34/595409234.db2.gz MTPDQSOFDBMZSY-NSHDSACASA-N 1 0 329.303 1.777 20 5 EDBDRO C[NH+](C)CCC[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000852760630 595531818 /nfs/dbraw/zinc/53/18/18/595531818.db2.gz JVEMOQUFGIEJOT-IRXDYDNUSA-N 1 0 337.420 1.671 20 5 EDBDRO COc1cc(S(=O)(=O)NCC2([NH3+])CCCC2)ccc1[N+](=O)[O-] ZINC000850590621 595541405 /nfs/dbraw/zinc/54/14/05/595541405.db2.gz RDBCKZGFLXVONX-UHFFFAOYSA-N 1 0 329.378 1.153 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853518110 595779980 /nfs/dbraw/zinc/77/99/80/595779980.db2.gz KVBGVHPOLFQNNT-CYBMUJFWSA-N 1 0 330.392 1.837 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCN3CC[C@H](O)C3)CC2)cc1 ZINC000858598972 595838669 /nfs/dbraw/zinc/83/86/69/595838669.db2.gz JFGSEDNJVOZXQB-KRWDZBQOSA-N 1 0 334.420 1.220 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000858618834 595845948 /nfs/dbraw/zinc/84/59/48/595845948.db2.gz GXCWEDVRKPHBHM-LBPRGKRZSA-N 1 0 345.808 1.811 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000858625314 595848933 /nfs/dbraw/zinc/84/89/33/595848933.db2.gz RCRGBKKQIIQEPK-WDEREUQCSA-N 1 0 347.824 1.975 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(NCC[N@@H+]2CC[C@H](O)C2)cc1Cl ZINC000858866546 595909751 /nfs/dbraw/zinc/90/97/51/595909751.db2.gz AYWXZJZSSQTIKX-VIFPVBQESA-N 1 0 343.767 1.513 20 5 EDBDRO C[NH+]1CCC2(CCN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000854499672 596099222 /nfs/dbraw/zinc/09/92/22/596099222.db2.gz BFUUQSSBMRBTCE-HNNXBMFYSA-N 1 0 333.388 1.573 20 5 EDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000854655488 596151906 /nfs/dbraw/zinc/15/19/06/596151906.db2.gz QDFBINAGNCGZPV-SMDDNHRTSA-N 1 0 331.376 1.496 20 5 EDBDRO COCC[N@H+](CCF)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000852482053 596178505 /nfs/dbraw/zinc/17/85/05/596178505.db2.gz DHCIZSNTBWBNSY-UHFFFAOYSA-N 1 0 341.339 1.811 20 5 EDBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000854735015 596180785 /nfs/dbraw/zinc/18/07/85/596180785.db2.gz IBYHRRWRNSYDEV-WBVHZDCISA-N 1 0 333.388 1.573 20 5 EDBDRO CC[C@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1cccc([N+](=O)[O-])c1 ZINC000866555817 596250205 /nfs/dbraw/zinc/25/02/05/596250205.db2.gz OLMSMQOYWWABFT-RDJZCZTQSA-N 1 0 349.387 1.263 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])c1C ZINC000123305720 596344214 /nfs/dbraw/zinc/34/42/14/596344214.db2.gz MKMRMGJJYDHPGG-CHWSQXEVSA-N 1 0 327.406 1.760 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865202534 596514494 /nfs/dbraw/zinc/51/44/94/596514494.db2.gz MAJXXDZEQJPSFX-GFCCVEGCSA-N 1 0 338.383 1.029 20 5 EDBDRO O=[N+]([O-])c1ccc2nccc(NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)c2c1 ZINC000865484764 596588170 /nfs/dbraw/zinc/58/81/70/596588170.db2.gz ISILLXAVMVEBGI-KBPBESRZSA-N 1 0 328.372 1.840 20 5 EDBDRO O=[N+]([O-])c1cc(CO)c(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1F ZINC000865506081 596593317 /nfs/dbraw/zinc/59/33/17/596593317.db2.gz MZDIHBDMLSFMGC-XJKSGUPXSA-N 1 0 339.367 1.262 20 5 EDBDRO C[C@@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)CC[N@@H+]1CC(C)(C)O ZINC000865710245 596657152 /nfs/dbraw/zinc/65/71/52/596657152.db2.gz NWSJGNABKCMPPP-LLVKDONJSA-N 1 0 341.383 1.508 20 5 EDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC(n3ccnc3)CC2)cs1 ZINC000119677993 596705159 /nfs/dbraw/zinc/70/51/59/596705159.db2.gz IGZPVMWHNYAUMK-UHFFFAOYSA-N 1 0 342.402 1.879 20 5 EDBDRO C[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872092794 596804000 /nfs/dbraw/zinc/80/40/00/596804000.db2.gz RBFJIXBRDJFVGI-MEBBXXQBSA-N 1 0 339.323 1.606 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000876569428 597244415 /nfs/dbraw/zinc/24/44/15/597244415.db2.gz YJUGLCTWTGZDSP-AWEZNQCLSA-N 1 0 327.768 1.585 20 5 EDBDRO Cc1ccc(NCCCNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000876676111 597283624 /nfs/dbraw/zinc/28/36/24/597283624.db2.gz LHXTWLIPOKPMOV-DOMZBBRYSA-N 1 0 338.383 1.769 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877344010 597496808 /nfs/dbraw/zinc/49/68/08/597496808.db2.gz CGAFQJSRMIHJNF-OAHLLOKOSA-N 1 0 340.383 1.837 20 5 EDBDRO CN1C(=O)c2ccccc2[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877656946 597545637 /nfs/dbraw/zinc/54/56/37/597545637.db2.gz UDZAESIBWVRACX-ZEPSKSRBSA-N 1 0 341.371 1.911 20 5 EDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)cc1 ZINC000883372317 597726267 /nfs/dbraw/zinc/72/62/67/597726267.db2.gz WOBQGYMWUMNMCR-QGZVFWFLSA-N 1 0 348.447 1.481 20 5 EDBDRO O=C1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CN1CC1CC1 ZINC000883394456 597731041 /nfs/dbraw/zinc/73/10/41/597731041.db2.gz AMIQHNUXZFNLLX-SOUVJXGZSA-N 1 0 347.419 1.876 20 5 EDBDRO C[N@@H+]1CC[C@@H](C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000881863566 597761408 /nfs/dbraw/zinc/76/14/08/597761408.db2.gz BQZBSOOQFXYKGE-SNVBAGLBSA-N 1 0 342.193 1.925 20 5 EDBDRO C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCN1c1cc[nH+]cc1 ZINC000880259737 597885353 /nfs/dbraw/zinc/88/53/53/597885353.db2.gz HISIWRBPZQZTFV-AWEZNQCLSA-N 1 0 343.387 1.362 20 5 EDBDRO CO[C@@H]1COCC[C@H]1[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880430539 597931752 /nfs/dbraw/zinc/93/17/52/597931752.db2.gz NADSDLIAEWSJTI-HUUCEWRRSA-N 1 0 337.376 1.659 20 5 EDBDRO C[NH2+][C@@H](CC(C)C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000884050227 597978689 /nfs/dbraw/zinc/97/86/89/597978689.db2.gz UNURJCOKWDSDSI-INIZCTEOSA-N 1 0 334.420 1.878 20 5 EDBDRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000882768819 598050851 /nfs/dbraw/zinc/05/08/51/598050851.db2.gz UGOQHOXZUZOYCC-UHFFFAOYSA-N 1 0 340.405 1.239 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc(Cl)nc2)CC1 ZINC000996429730 702783672 /nfs/dbraw/zinc/78/36/72/702783672.db2.gz UZUSOLLTCQBIPJ-CHWSQXEVSA-N 1 0 338.795 1.481 20 5 EDBDRO O=C(Cc1nc[nH]n1)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001003930116 710983063 /nfs/dbraw/zinc/98/30/63/710983063.db2.gz IZLSWCDKONUHHU-UHFFFAOYSA-N 1 0 344.375 1.036 20 5 EDBDRO CCc1n[nH]c(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000178011628 529466176 /nfs/dbraw/zinc/46/61/76/529466176.db2.gz YYSCLMIITFASBO-UHFFFAOYSA-N 1 0 335.408 1.971 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000175080738 231380523 /nfs/dbraw/zinc/38/05/23/231380523.db2.gz ONLRRURAQNMLJM-NEPJUHHUSA-N 1 0 327.406 1.746 20 5 EDBDRO CNC(=O)c1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000159717887 529937259 /nfs/dbraw/zinc/93/72/59/529937259.db2.gz DPGAXEHTZLTMTF-UHFFFAOYSA-N 1 0 344.371 1.248 20 5 EDBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000178692056 232382996 /nfs/dbraw/zinc/38/29/96/232382996.db2.gz CCPCYSMGAOQVGQ-WDEREUQCSA-N 1 0 334.376 1.931 20 5 EDBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000102343049 219196139 /nfs/dbraw/zinc/19/61/39/219196139.db2.gz JAXUFHMHVSAZNV-ZDUSSCGKSA-N 1 0 337.424 1.763 20 5 EDBDRO COCCC[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000066865645 215088034 /nfs/dbraw/zinc/08/80/34/215088034.db2.gz QDGFVQAPDGAOCV-LLVKDONJSA-N 1 0 325.365 1.899 20 5 EDBDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000103162206 219264291 /nfs/dbraw/zinc/26/42/91/219264291.db2.gz XWSQWDRLTDUOPS-UHFFFAOYSA-N 1 0 347.824 1.965 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000179557568 233162362 /nfs/dbraw/zinc/16/23/62/233162362.db2.gz VRVWBPRHTHYOBT-CYBMUJFWSA-N 1 0 341.433 1.351 20 5 EDBDRO COc1ccc(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000069129525 215362509 /nfs/dbraw/zinc/36/25/09/215362509.db2.gz LWGXIYMXXNCCIS-JTQLQIEISA-N 1 0 343.405 1.364 20 5 EDBDRO O=C(NC[C@@H]1CCC[NH2+]1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000563143651 306320148 /nfs/dbraw/zinc/32/01/48/306320148.db2.gz WWKCPMPBLCBQSX-AWEZNQCLSA-N 1 0 332.404 1.679 20 5 EDBDRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000183911706 235259344 /nfs/dbraw/zinc/25/93/44/235259344.db2.gz XOVHIYJZOFPMRM-ZIAGYGMSSA-N 1 0 335.360 1.595 20 5 EDBDRO COc1cc(C[N@@H+]2CCCC[C@H]2CC(N)=O)c([N+](=O)[O-])cc1OC ZINC000092588657 138289853 /nfs/dbraw/zinc/28/98/53/138289853.db2.gz AMYDIYAFIXZGOG-LBPRGKRZSA-N 1 0 337.376 1.842 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000124847012 138330067 /nfs/dbraw/zinc/33/00/67/138330067.db2.gz SAHQZDPPLVYQFO-NSHDSACASA-N 1 0 347.462 1.927 20 5 EDBDRO COC(=O)c1cc(N2CCC[N@H+](CCO)CC2)cc(C)c1[N+](=O)[O-] ZINC000130580434 138342405 /nfs/dbraw/zinc/34/24/05/138342405.db2.gz XWDNWVAUTINPHG-UHFFFAOYSA-N 1 0 337.376 1.194 20 5 EDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CCNC(=O)C1 ZINC000563638659 306343414 /nfs/dbraw/zinc/34/34/14/306343414.db2.gz RWNQXBXEXHJKMQ-UVTDQMKNSA-N 1 0 332.404 1.410 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000186683452 235981450 /nfs/dbraw/zinc/98/14/50/235981450.db2.gz QFVFRBCUDXFCRJ-IUODEOHRSA-N 1 0 332.404 1.923 20 5 EDBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000563805097 306347719 /nfs/dbraw/zinc/34/77/19/306347719.db2.gz SPVFEQOFXTYNCZ-NSHDSACASA-N 1 0 335.360 1.486 20 5 EDBDRO Cc1cc(=O)n(CC(=O)NC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000128581932 138621650 /nfs/dbraw/zinc/62/16/50/138621650.db2.gz GHPRLHIVURALIJ-UHFFFAOYSA-N 1 0 336.392 1.054 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2COc3ccccc3C2)c1 ZINC000564845669 306366859 /nfs/dbraw/zinc/36/68/59/306366859.db2.gz VVTGMVGLGRVIRA-HOCLYGCPSA-N 1 0 344.367 1.928 20 5 EDBDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000414348058 304109431 /nfs/dbraw/zinc/10/94/31/304109431.db2.gz RSIKYKJZSRNIPM-NWDGAFQWSA-N 1 0 336.392 1.815 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000566224064 306404329 /nfs/dbraw/zinc/40/43/29/306404329.db2.gz DYJRAJVHMZOYMI-IAQYHMDHSA-N 1 0 341.433 1.763 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)c1 ZINC000566910547 306432567 /nfs/dbraw/zinc/43/25/67/306432567.db2.gz QNOKELXJZSKOHI-BBWFWOEESA-N 1 0 346.387 1.662 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCCc3ccccc32)c1 ZINC000566952913 306433953 /nfs/dbraw/zinc/43/39/53/306433953.db2.gz SNKWNRNQMOUYFM-ZBFHGGJFSA-N 1 0 330.388 1.862 20 5 EDBDRO CSCC[C@@H]([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000199160475 139020346 /nfs/dbraw/zinc/02/03/46/139020346.db2.gz CZDAVCOJNFBMKS-CQSZACIVSA-N 1 0 338.433 1.324 20 5 EDBDRO CCC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000236821798 139032627 /nfs/dbraw/zinc/03/26/27/139032627.db2.gz SAGYUOOIRSGVRK-JTQLQIEISA-N 1 0 340.405 1.068 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000237311099 139047430 /nfs/dbraw/zinc/04/74/30/139047430.db2.gz TYXJSAOSAULYKP-LLVKDONJSA-N 1 0 337.376 1.684 20 5 EDBDRO COC[C@@](C)(CCO)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000079920076 217264872 /nfs/dbraw/zinc/26/48/72/217264872.db2.gz HMRDCKUVOZRHPL-CQSZACIVSA-N 1 0 345.783 1.564 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)C[NH2+]1 ZINC000237580235 139054663 /nfs/dbraw/zinc/05/46/63/139054663.db2.gz QPRPINWSTXGZCC-RYUDHWBXSA-N 1 0 329.360 1.603 20 5 EDBDRO Cc1c(C(=O)NCc2ccccc2[N+](=O)[O-])nnn1C1CC[NH2+]CC1 ZINC000237816373 139061110 /nfs/dbraw/zinc/06/11/10/139061110.db2.gz YAEGWRZSPFNBDU-UHFFFAOYSA-N 1 0 344.375 1.349 20 5 EDBDRO [NH3+]CCCCNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000238018067 139066737 /nfs/dbraw/zinc/06/67/37/139066737.db2.gz LZZSFWDBKFJBFE-UHFFFAOYSA-N 1 0 336.348 1.138 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246394932 139106963 /nfs/dbraw/zinc/10/69/63/139106963.db2.gz PNOXYAHLCINRAZ-STQMWFEESA-N 1 0 348.403 1.710 20 5 EDBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000246907884 139126510 /nfs/dbraw/zinc/12/65/10/139126510.db2.gz XXFFSRWUHMXJTM-ZENOOKHLSA-N 1 0 333.388 1.935 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000247702255 139154077 /nfs/dbraw/zinc/15/40/77/139154077.db2.gz YEDFGANDUJFADX-ZBFHGGJFSA-N 1 0 337.424 1.103 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000248426697 139163181 /nfs/dbraw/zinc/16/31/81/139163181.db2.gz LTTHGQWIXFMZFD-GXTWGEPZSA-N 1 0 341.433 1.697 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000415418810 304219370 /nfs/dbraw/zinc/21/93/70/304219370.db2.gz YXTWPMJKVBTUHF-GFCCVEGCSA-N 1 0 348.403 1.602 20 5 EDBDRO CC[C@](C)([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(N)=O ZINC000411384780 250521136 /nfs/dbraw/zinc/52/11/36/250521136.db2.gz GAMVHCAGWYWYJK-HNNXBMFYSA-N 1 0 338.364 1.176 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000261622412 139212069 /nfs/dbraw/zinc/21/20/69/139212069.db2.gz CHMBEZXYJPZWOX-WDEREUQCSA-N 1 0 343.405 1.209 20 5 EDBDRO COCC1(CNC(=O)CNc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261777796 139225199 /nfs/dbraw/zinc/22/51/99/139225199.db2.gz RZVFIEMCDIVPRI-UHFFFAOYSA-N 1 0 336.392 1.139 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c1C ZINC000261788701 139226083 /nfs/dbraw/zinc/22/60/83/139226083.db2.gz SRRZSZHXMUQDED-IINYFYTJSA-N 1 0 341.433 1.960 20 5 EDBDRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1csc([N+](=O)[O-])c1 ZINC000261915628 139236536 /nfs/dbraw/zinc/23/65/36/139236536.db2.gz QVEIFOVKBOIGLY-UHFFFAOYSA-N 1 0 333.373 1.713 20 5 EDBDRO C[C@]1(C[NH3+])CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000261953189 139239645 /nfs/dbraw/zinc/23/96/45/139239645.db2.gz KIBWTGVFPFNUBY-MRXNPFEDSA-N 1 0 329.360 1.591 20 5 EDBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000415968905 251040078 /nfs/dbraw/zinc/04/00/78/251040078.db2.gz FXUPIBADCNPHIT-UHFFFAOYSA-N 1 0 346.347 1.095 20 5 EDBDRO Cc1ccc(NCCCNC(=O)N2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000417718203 251241043 /nfs/dbraw/zinc/24/10/43/251241043.db2.gz NYBSNQNAXPGVTF-ZDUSSCGKSA-N 1 0 335.408 1.838 20 5 EDBDRO Cc1ccc(NCCCNC(=O)N2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000417719367 251241092 /nfs/dbraw/zinc/24/10/92/251241092.db2.gz PWRIOASLBZEJLD-CYBMUJFWSA-N 1 0 335.408 1.695 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417757846 251257663 /nfs/dbraw/zinc/25/76/63/251257663.db2.gz BSIVBDIAVCEUQQ-RRFJBIMHSA-N 1 0 332.404 1.825 20 5 EDBDRO COc1cc(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000420417588 251713313 /nfs/dbraw/zinc/71/33/13/251713313.db2.gz FKLHLOFUYSBFED-MNOVXSKESA-N 1 0 343.405 1.351 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262793726 139303956 /nfs/dbraw/zinc/30/39/56/139303956.db2.gz SKVXSWPCRASILS-KCJUWKMLSA-N 1 0 333.797 1.525 20 5 EDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000423670931 252066401 /nfs/dbraw/zinc/06/64/01/252066401.db2.gz MTDAJOJXTUGVSK-UFBFGSQYSA-N 1 0 342.193 1.848 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000415635929 304243897 /nfs/dbraw/zinc/24/38/97/304243897.db2.gz WCHUBTFVXLVWDC-BETUJISGSA-N 1 0 332.360 1.195 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000415659207 304250118 /nfs/dbraw/zinc/25/01/18/304250118.db2.gz ONOFSTIATSHWNJ-LBPRGKRZSA-N 1 0 338.364 1.494 20 5 EDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000153397493 224098208 /nfs/dbraw/zinc/09/82/08/224098208.db2.gz VAWPRZOYGRGCAY-CQSZACIVSA-N 1 0 327.406 1.116 20 5 EDBDRO CCCC[N@H+](C)CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000112333526 220305289 /nfs/dbraw/zinc/30/52/89/220305289.db2.gz SIKXJKAUUYYLHA-UHFFFAOYSA-N 1 0 330.410 1.386 20 5 EDBDRO CC[NH+]1C[C@@H](C)N(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000570059189 306529461 /nfs/dbraw/zinc/52/94/61/306529461.db2.gz IPIALBCLTGMGIN-CHWSQXEVSA-N 1 0 348.403 1.266 20 5 EDBDRO C[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000443451358 254580842 /nfs/dbraw/zinc/58/08/42/254580842.db2.gz FYJMLANGMNRQJK-YPMHNXCESA-N 1 0 327.406 1.402 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000114382702 220675137 /nfs/dbraw/zinc/67/51/37/220675137.db2.gz BPJLAYAXJPLUKD-UHFFFAOYSA-N 1 0 348.447 1.907 20 5 EDBDRO C[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)[N@@H+]1CCCC[C@H]1C ZINC000490339884 255085061 /nfs/dbraw/zinc/08/50/61/255085061.db2.gz DAPHAFAFBILGSN-OLZOCXBDSA-N 1 0 338.412 1.353 20 5 EDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000493146074 255193132 /nfs/dbraw/zinc/19/31/32/255193132.db2.gz GSBJYECBTJBMSH-POKLJVKSSA-N 1 0 349.362 1.320 20 5 EDBDRO COCC[NH2+]C1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000493194322 255195535 /nfs/dbraw/zinc/19/55/35/255195535.db2.gz GNWMIYPGJZMPIZ-WAYWQWQTSA-N 1 0 333.388 1.835 20 5 EDBDRO C[N@@H+]1CCN(CCNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000493233735 255198279 /nfs/dbraw/zinc/19/82/79/255198279.db2.gz OFCATVGDEKUULC-HJWRWDBZSA-N 1 0 346.431 1.750 20 5 EDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000117241509 221038112 /nfs/dbraw/zinc/03/81/12/221038112.db2.gz SOEOEBFSLMERNW-SNVBAGLBSA-N 1 0 330.344 1.118 20 5 EDBDRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000264227514 139388365 /nfs/dbraw/zinc/38/83/65/139388365.db2.gz XINLALYPSZSAGI-ZDUSSCGKSA-N 1 0 343.387 1.804 20 5 EDBDRO C[C@@H](CC1CC1)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178005577 533505555 /nfs/dbraw/zinc/50/55/55/533505555.db2.gz ANBUTFPOUCDEQN-NSHDSACASA-N 1 0 327.406 1.651 20 5 EDBDRO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](O)C(F)F ZINC000571284468 306561135 /nfs/dbraw/zinc/56/11/35/306561135.db2.gz XSTKWDHPVIQCKL-OUJBWJOFSA-N 1 0 334.319 1.329 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c1C ZINC000262353629 291994791 /nfs/dbraw/zinc/99/47/91/291994791.db2.gz VOOJFADRBDYPQP-CMPLNLGQSA-N 1 0 327.406 1.569 20 5 EDBDRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000571533031 306568153 /nfs/dbraw/zinc/56/81/53/306568153.db2.gz ZSZPBXBCFNBAON-VIFPVBQESA-N 1 0 340.767 1.384 20 5 EDBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)CC1 ZINC000270082707 140043410 /nfs/dbraw/zinc/04/34/10/140043410.db2.gz IZEQOVSWLAZMTI-CYBMUJFWSA-N 1 0 332.404 1.981 20 5 EDBDRO C[N@H+](CCCO)C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000270351482 140084081 /nfs/dbraw/zinc/08/40/81/140084081.db2.gz GGYGBNSXRCWULM-UHFFFAOYSA-N 1 0 335.404 1.443 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@@H]1[NH+](C)C ZINC000270774004 140166205 /nfs/dbraw/zinc/16/62/05/140166205.db2.gz FJSCFUNMKWOQCS-LRDDRELGSA-N 1 0 343.387 1.803 20 5 EDBDRO Cc1ccc(CN2CC[NH+](CCC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000271202676 140256201 /nfs/dbraw/zinc/25/62/01/140256201.db2.gz YCROFMMVEYRPLL-UHFFFAOYSA-N 1 0 334.420 1.499 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000271409432 140291901 /nfs/dbraw/zinc/29/19/01/140291901.db2.gz ODHAAYZGSYQAHD-YPMHNXCESA-N 1 0 333.392 1.417 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000378018498 296511094 /nfs/dbraw/zinc/51/10/94/296511094.db2.gz UXZPCTXZVPXWEK-NXEZZACHSA-N 1 0 345.808 1.478 20 5 EDBDRO C[C@H](CCC[NH3+])Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000319255565 140658362 /nfs/dbraw/zinc/65/83/62/140658362.db2.gz AODQHZSTRRABNJ-SNVBAGLBSA-N 1 0 330.410 1.384 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(CCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000339387146 142033879 /nfs/dbraw/zinc/03/38/79/142033879.db2.gz FRJSWPGTWPWQOG-IAGOWNOFSA-N 1 0 335.404 1.769 20 5 EDBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000339768490 142150435 /nfs/dbraw/zinc/15/04/35/142150435.db2.gz YBOIZJDZFMPTNP-DLBZAZTESA-N 1 0 336.388 1.883 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000360258162 292087809 /nfs/dbraw/zinc/08/78/09/292087809.db2.gz OEFUBOQHBSUCEP-OLZOCXBDSA-N 1 0 341.433 1.973 20 5 EDBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000343950784 142909392 /nfs/dbraw/zinc/90/93/92/142909392.db2.gz HZCNEZKGKXTFMA-ZFWWWQNUSA-N 1 0 344.371 1.807 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000344804091 143013618 /nfs/dbraw/zinc/01/36/18/143013618.db2.gz BSVPDUQPJFEJIA-WUXMJOGZSA-N 1 0 339.417 1.479 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000345013294 143039308 /nfs/dbraw/zinc/03/93/08/143039308.db2.gz QRPXBLMHNNWHFM-HUBLWGQQSA-N 1 0 348.403 1.312 20 5 EDBDRO C[NH+]1CCC(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000346196565 143177773 /nfs/dbraw/zinc/17/77/73/143177773.db2.gz RBIXJNDGQIMBOJ-ZDUSSCGKSA-N 1 0 333.392 1.344 20 5 EDBDRO O=C(CC[N@@H+]1CCN2C(=O)CC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000346451158 143206143 /nfs/dbraw/zinc/20/61/43/143206143.db2.gz JJMYZVROBRYYSE-CQSZACIVSA-N 1 0 332.360 1.230 20 5 EDBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000346640360 143224991 /nfs/dbraw/zinc/22/49/91/143224991.db2.gz NKYMBVNYCUVKKX-AAEUAGOBSA-N 1 0 343.405 1.030 20 5 EDBDRO C[NH+](C)CC1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000347154310 143288518 /nfs/dbraw/zinc/28/85/18/143288518.db2.gz JGIQIEKUZXZAFP-UHFFFAOYSA-N 1 0 341.433 1.698 20 5 EDBDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000347661160 143346520 /nfs/dbraw/zinc/34/65/20/143346520.db2.gz BVIUBGBHJGZWJR-CYBMUJFWSA-N 1 0 348.403 1.432 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000369908662 155225924 /nfs/dbraw/zinc/22/59/24/155225924.db2.gz AJGIHLHFQIRGOD-MELADBBJSA-N 1 0 333.388 1.950 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355386474 150247117 /nfs/dbraw/zinc/24/71/17/150247117.db2.gz RDYPOMZPZIISTM-CVEARBPZSA-N 1 0 333.388 1.459 20 5 EDBDRO COc1cc(OCC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000357384614 151014361 /nfs/dbraw/zinc/01/43/61/151014361.db2.gz FLPZGFYDWYYIJC-NWDGAFQWSA-N 1 0 337.376 1.581 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1Cc1nc(CC2=[NH+][C@@H]3CCCC[C@@H]3N2)no1 ZINC000357956556 151209629 /nfs/dbraw/zinc/20/96/29/151209629.db2.gz ZBFZBUZGCVPQTD-PHIMTYICSA-N 1 0 345.363 1.386 20 5 EDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358061755 151252532 /nfs/dbraw/zinc/25/25/32/151252532.db2.gz HCQYRFXRGCARDX-XHDPSFHLSA-N 1 0 339.417 1.258 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)C1 ZINC000359634587 151774725 /nfs/dbraw/zinc/77/47/25/151774725.db2.gz DMISPRFVOGPZDJ-NWDGAFQWSA-N 1 0 347.375 1.536 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000360650285 152138942 /nfs/dbraw/zinc/13/89/42/152138942.db2.gz CFZKCCXKJAEAQG-MNOVXSKESA-N 1 0 343.405 1.364 20 5 EDBDRO CN(CC(=O)N[C@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000361103506 152305408 /nfs/dbraw/zinc/30/54/08/152305408.db2.gz CEYDLXUYOZOYSY-KBPBESRZSA-N 1 0 332.404 1.535 20 5 EDBDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000361358348 152371106 /nfs/dbraw/zinc/37/11/06/152371106.db2.gz JZBLYWKSGKOXCU-CLWVCHIJSA-N 1 0 339.436 1.390 20 5 EDBDRO CSc1cccc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000362409891 152700704 /nfs/dbraw/zinc/70/07/04/152700704.db2.gz HLGHXTVKPIKBIW-CQSZACIVSA-N 1 0 325.390 1.113 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000363870112 153080996 /nfs/dbraw/zinc/08/09/96/153080996.db2.gz TTWLBGUOAVEKLY-GOSISDBHSA-N 1 0 348.447 1.351 20 5 EDBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000364583710 153278495 /nfs/dbraw/zinc/27/84/95/153278495.db2.gz IJYQYDTZRZECKM-NSHDSACASA-N 1 0 330.348 1.047 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1C ZINC000192921238 292291989 /nfs/dbraw/zinc/29/19/89/292291989.db2.gz ZRVYTAOVAJZHDC-BETUJISGSA-N 1 0 339.417 1.394 20 5 EDBDRO Cc1nc(C)n([C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000367142009 154020707 /nfs/dbraw/zinc/02/07/07/154020707.db2.gz SSLGIFHGGMNRNN-AWEZNQCLSA-N 1 0 346.391 1.302 20 5 EDBDRO NC(=O)C[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000367984116 154355209 /nfs/dbraw/zinc/35/52/09/154355209.db2.gz UFNHJHACZIFTOI-SNVBAGLBSA-N 1 0 331.332 1.342 20 5 EDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCn2ccnc2C1 ZINC000369500646 155060992 /nfs/dbraw/zinc/06/09/92/155060992.db2.gz NSWAOPMRGJLSHM-CYBMUJFWSA-N 1 0 343.387 1.972 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000375923169 157691755 /nfs/dbraw/zinc/69/17/55/157691755.db2.gz SFXOOVCLPGWYLT-ZBFHGGJFSA-N 1 0 344.346 1.883 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1CN1CCCN(c2cncc(F)c2)CC1 ZINC000378297533 158132212 /nfs/dbraw/zinc/13/22/12/158132212.db2.gz UTUWTUWKFRJKPV-UHFFFAOYSA-N 1 0 334.355 1.575 20 5 EDBDRO O=C([C@@H]1CC12CC[NH+](CCn1ccc([N+](=O)[O-])n1)CC2)N1CCCC1 ZINC000378384163 158160024 /nfs/dbraw/zinc/16/00/24/158160024.db2.gz UPIGPPUSIYTVIE-AWEZNQCLSA-N 1 0 347.419 1.516 20 5 EDBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000352551554 162246642 /nfs/dbraw/zinc/24/66/42/162246642.db2.gz OIMCMUYFEWKOHR-LBPRGKRZSA-N 1 0 329.422 1.994 20 5 EDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000366570909 162396141 /nfs/dbraw/zinc/39/61/41/162396141.db2.gz PYXDSMVKNBGJPX-RYUDHWBXSA-N 1 0 336.367 1.625 20 5 EDBDRO C[NH2+][C@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000417998400 304444321 /nfs/dbraw/zinc/44/43/21/304444321.db2.gz VCKQGTUKBUYOAQ-LBPRGKRZSA-N 1 0 326.784 1.794 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000418081164 304455670 /nfs/dbraw/zinc/45/56/70/304455670.db2.gz FHHJIVOXCWJUJP-ZYHUDNBSSA-N 1 0 344.375 1.365 20 5 EDBDRO CN(C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCC[NH2+]CC1 ZINC000418086048 304456549 /nfs/dbraw/zinc/45/65/49/304456549.db2.gz XNRUKHAQJAPIDZ-LLVKDONJSA-N 1 0 346.391 1.755 20 5 EDBDRO CC(C)[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[NH+]1CCC(C)CC1 ZINC000063783821 287239003 /nfs/dbraw/zinc/23/90/03/287239003.db2.gz JVQILOKUWQNWCC-CYBMUJFWSA-N 1 0 338.412 1.059 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[NH2+]C(C)(C)C ZINC000127932672 287447767 /nfs/dbraw/zinc/44/77/67/287447767.db2.gz LQHICMWREVGCFI-UHFFFAOYSA-N 1 0 336.392 1.654 20 5 EDBDRO CS(=O)(=O)NCCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121139389 221767758 /nfs/dbraw/zinc/76/77/58/221767758.db2.gz RMOXWTNXIPEHSC-AWEZNQCLSA-N 1 0 341.433 1.445 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]C[C@H]1CC=CCC1 ZINC000123264992 222245315 /nfs/dbraw/zinc/24/53/15/222245315.db2.gz WEMMZZXGZWDJGG-ZDUSSCGKSA-N 1 0 339.417 1.819 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000172207718 227540875 /nfs/dbraw/zinc/54/08/75/227540875.db2.gz VYLNLTBDYLLHDU-SNVBAGLBSA-N 1 0 331.369 1.306 20 5 EDBDRO CS(=O)(=O)N1CC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000189683991 272967510 /nfs/dbraw/zinc/96/75/10/272967510.db2.gz FVJYSUAAIKILSN-UHFFFAOYSA-N 1 0 333.797 1.229 20 5 EDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCCCN1CC[NH2+]CC1 ZINC000237724155 273012242 /nfs/dbraw/zinc/01/22/42/273012242.db2.gz ZUBYONYVFKZMNP-HWKANZROSA-N 1 0 336.367 1.159 20 5 EDBDRO C[C@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000193036437 267836761 /nfs/dbraw/zinc/83/67/61/267836761.db2.gz RHGIQALEBZEGLV-CABZTGNLSA-N 1 0 333.435 1.842 20 5 EDBDRO [NH3+]C[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000237933312 267933909 /nfs/dbraw/zinc/93/39/09/267933909.db2.gz NKLXKFWPOKXVQP-HNNXBMFYSA-N 1 0 341.433 1.922 20 5 EDBDRO CN(CC1CC[NH+](C)CC1)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273499671 268052405 /nfs/dbraw/zinc/05/24/05/268052405.db2.gz RPDYYUDPPRBAQS-UHFFFAOYSA-N 1 0 342.421 1.020 20 5 EDBDRO Cc1csc(C2([NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCC2)n1 ZINC000274074500 268103871 /nfs/dbraw/zinc/10/38/71/268103871.db2.gz RSECJPWFYRBEFG-LBPRGKRZSA-N 1 0 337.405 1.586 20 5 EDBDRO CCC[C@]1(CO)CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000277917898 273234634 /nfs/dbraw/zinc/23/46/34/273234634.db2.gz XSSGVFPJBBBCDQ-WMLDXEAASA-N 1 0 338.404 1.962 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000277945260 273236766 /nfs/dbraw/zinc/23/67/66/273236766.db2.gz RFWDVARHRVPFBS-GVXVVHGQSA-N 1 0 337.376 1.945 20 5 EDBDRO C[N@@H+]1CC[C@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000280047431 273339894 /nfs/dbraw/zinc/33/98/94/273339894.db2.gz GDMVPOKGDJCUJA-SECBINFHSA-N 1 0 329.759 1.998 20 5 EDBDRO C[NH+](C)CC1(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CCC1 ZINC000281039256 273428620 /nfs/dbraw/zinc/42/86/20/273428620.db2.gz IUWGPDGYMMRQIN-HNNXBMFYSA-N 1 0 346.387 1.688 20 5 EDBDRO [NH3+]CC[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000281945362 273557429 /nfs/dbraw/zinc/55/74/29/273557429.db2.gz LOGMLVKJBBUTBB-LLVKDONJSA-N 1 0 325.340 1.700 20 5 EDBDRO CC1(C)COCCN1CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283976975 274034243 /nfs/dbraw/zinc/03/42/43/274034243.db2.gz MKRGVMZXFFRMGB-UHFFFAOYSA-N 1 0 340.355 1.157 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000284086949 274076065 /nfs/dbraw/zinc/07/60/65/274076065.db2.gz LRWWRNAEQLZKOX-NEPJUHHUSA-N 1 0 338.364 1.390 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC[C@@H]21 ZINC000284450424 274206682 /nfs/dbraw/zinc/20/66/82/274206682.db2.gz QXXMIVZKAOCJGR-HZMBPMFUSA-N 1 0 336.367 1.872 20 5 EDBDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C)c1ccccc1[N+](=O)[O-] ZINC000284919153 274386690 /nfs/dbraw/zinc/38/66/90/274386690.db2.gz UFCFDGZCVSKWJJ-XTQGRXLLSA-N 1 0 343.387 1.951 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)C(=O)N1CCCC1 ZINC000343499142 274472195 /nfs/dbraw/zinc/47/21/95/274472195.db2.gz HKJVBJGMJGCFHX-CHWSQXEVSA-N 1 0 348.403 1.912 20 5 EDBDRO CC1=CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000285170905 274473622 /nfs/dbraw/zinc/47/36/22/274473622.db2.gz MXENDLWWCLIYDQ-CYBMUJFWSA-N 1 0 339.417 1.962 20 5 EDBDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C(N)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000248388968 274525538 /nfs/dbraw/zinc/52/55/38/274525538.db2.gz AGMBKNXXVSUMJP-GDLCADMTSA-N 1 0 334.376 1.556 20 5 EDBDRO [NH3+]CC[C@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(F)F ZINC000420452752 274946602 /nfs/dbraw/zinc/94/66/02/274946602.db2.gz CLJQFDIMWFLJIC-JTQLQIEISA-N 1 0 337.348 1.039 20 5 EDBDRO COCC[NH+]1CCC(NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269379638 277219481 /nfs/dbraw/zinc/21/94/81/277219481.db2.gz JCHQJUWGTIYBHU-UHFFFAOYSA-N 1 0 339.396 1.282 20 5 EDBDRO COC(=O)[C@@H](C)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000185188324 277337226 /nfs/dbraw/zinc/33/72/26/277337226.db2.gz ICQFWZSRIMSVBU-JTQLQIEISA-N 1 0 341.339 1.803 20 5 EDBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000286594572 288041696 /nfs/dbraw/zinc/04/16/96/288041696.db2.gz QUGZUJIULFXETC-WPAGTLKASA-N 1 0 348.399 1.690 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262857958 279910623 /nfs/dbraw/zinc/91/06/23/279910623.db2.gz TUJGVDVPDIEBOE-SMDDNHRTSA-N 1 0 329.360 1.508 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000184829008 281017324 /nfs/dbraw/zinc/01/73/24/281017324.db2.gz BJBUEJMFNSUEBS-ZIAGYGMSSA-N 1 0 348.403 1.866 20 5 EDBDRO C[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)N1CC[NH+](C)CC1 ZINC000287801853 288327256 /nfs/dbraw/zinc/32/72/56/288327256.db2.gz JINGTMRWYNQSFF-NSHDSACASA-N 1 0 346.391 1.291 20 5 EDBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290013475 288821217 /nfs/dbraw/zinc/82/12/17/288821217.db2.gz ZQFJZCHHAMCPMP-STQMWFEESA-N 1 0 330.388 1.851 20 5 EDBDRO C[C@@H]1[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000291669636 289144535 /nfs/dbraw/zinc/14/45/35/289144535.db2.gz CKKKKJSKLFJXRG-HIFRSBDPSA-N 1 0 343.387 1.571 20 5 EDBDRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc2O1 ZINC000292493913 289363452 /nfs/dbraw/zinc/36/34/52/289363452.db2.gz TZDRLPGVXWTQIU-DOMZBBRYSA-N 1 0 332.360 1.435 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000292564591 289382878 /nfs/dbraw/zinc/38/28/78/289382878.db2.gz UFDYLNJFDJMHBP-HZMBPMFUSA-N 1 0 333.344 1.205 20 5 EDBDRO NC(=O)C1CCC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447584870 295035771 /nfs/dbraw/zinc/03/57/71/295035771.db2.gz HEFIBVTWGHBLHF-PQAZSJQKSA-N 1 0 335.408 1.909 20 5 EDBDRO NC(=O)c1ccnc(N2CCC(C[NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000357220473 295192122 /nfs/dbraw/zinc/19/21/22/295192122.db2.gz NHHCKWOQPOAKFK-UHFFFAOYSA-N 1 0 347.419 1.791 20 5 EDBDRO COc1ccc(S(=O)(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000340873954 295197673 /nfs/dbraw/zinc/19/76/73/295197673.db2.gz CRSABGQIFKCFNY-GWCFXTLKSA-N 1 0 343.405 1.174 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418571992 304514122 /nfs/dbraw/zinc/51/41/22/304514122.db2.gz PXTPFLCTXHQTLH-UONOGXRCSA-N 1 0 347.419 1.567 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C2CC[NH2+]CC2)cc1C ZINC000237123516 301425172 /nfs/dbraw/zinc/42/51/72/301425172.db2.gz AMZSPIJQIFIMPV-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420445606 304759031 /nfs/dbraw/zinc/75/90/31/304759031.db2.gz HOGYILYZICWGHA-STQMWFEESA-N 1 0 327.406 1.184 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420470049 304762466 /nfs/dbraw/zinc/76/24/66/304762466.db2.gz QBKYNKZZSIIYOZ-NWDGAFQWSA-N 1 0 327.406 1.699 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000237326803 302043460 /nfs/dbraw/zinc/04/34/60/302043460.db2.gz QPROZBPHIZVLKP-NEPJUHHUSA-N 1 0 327.406 1.651 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000261696447 302046768 /nfs/dbraw/zinc/04/67/68/302046768.db2.gz OGNZDLRTMNMDJQ-CYBMUJFWSA-N 1 0 347.396 1.982 20 5 EDBDRO O=c1nc([C@H]2CCCCN2CCOc2ccc([N+](=O)[O-])cc2)[nH][nH]1 ZINC000295313129 303203459 /nfs/dbraw/zinc/20/34/59/303203459.db2.gz NIXRLDMTRMROCU-CYBMUJFWSA-N 1 0 333.348 1.612 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000296832805 303340148 /nfs/dbraw/zinc/34/01/48/303340148.db2.gz SVIWMWZXQCWMRV-UHFFFAOYSA-N 1 0 328.344 1.478 20 5 EDBDRO COc1cc(C(=O)NCC[NH+]2CCC(O)CC2)cc([N+](=O)[O-])c1C ZINC000296836123 303340679 /nfs/dbraw/zinc/34/06/79/303340679.db2.gz GTPMDWRKCSVITP-UHFFFAOYSA-N 1 0 337.376 1.098 20 5 EDBDRO CN(C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)S(C)(=O)=O ZINC000299370991 303612549 /nfs/dbraw/zinc/61/25/49/303612549.db2.gz IMXMBUGMDDKOCR-UHFFFAOYSA-N 1 0 341.433 1.493 20 5 EDBDRO Cc1nn(C)c(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000301744425 303692833 /nfs/dbraw/zinc/69/28/33/303692833.db2.gz NEAQUSATOLWIMG-AWEZNQCLSA-N 1 0 337.424 1.718 20 5 EDBDRO C[NH2+]CCCN(C)C(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423095297 304885748 /nfs/dbraw/zinc/88/57/48/304885748.db2.gz DPVOBAVQNDUXPO-UHFFFAOYSA-N 1 0 348.403 1.154 20 5 EDBDRO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000423411737 304894773 /nfs/dbraw/zinc/89/47/73/304894773.db2.gz GFZMXERCTLWOIE-IUODEOHRSA-N 1 0 347.419 1.781 20 5 EDBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000423494043 304897340 /nfs/dbraw/zinc/89/73/40/304897340.db2.gz CQIDGPJQPJGVHR-DGCLKSJQSA-N 1 0 333.323 1.333 20 5 EDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000423836327 304911742 /nfs/dbraw/zinc/91/17/42/304911742.db2.gz FORLFRCAQTZOKZ-SNVBAGLBSA-N 1 0 349.778 1.978 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1[NH3+] ZINC000423944718 304920288 /nfs/dbraw/zinc/92/02/88/304920288.db2.gz HJRAWRVBYYVJJB-RDDDGLTNSA-N 1 0 328.166 1.777 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@]1(C)C[NH3+] ZINC000423988967 304923050 /nfs/dbraw/zinc/92/30/50/304923050.db2.gz YYYKDIZPMIKPPL-SJKOYZFVSA-N 1 0 343.387 1.837 20 5 EDBDRO O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000424065307 304927054 /nfs/dbraw/zinc/92/70/54/304927054.db2.gz LQXZYOAWYDHDCK-CYBMUJFWSA-N 1 0 342.359 1.314 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@H]4[NH2+]CC[C@H]4C3)n2)c1 ZINC000428037009 305004847 /nfs/dbraw/zinc/00/48/47/305004847.db2.gz SJRGJUXIGCQNDG-JSGCOSHPSA-N 1 0 329.360 1.829 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000428039596 305005086 /nfs/dbraw/zinc/00/50/86/305005086.db2.gz SEAFRUUQEYBDPI-YPMHNXCESA-N 1 0 334.376 1.226 20 5 EDBDRO CCC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(N)=O ZINC000429115026 305024251 /nfs/dbraw/zinc/02/42/51/305024251.db2.gz IIRZFRBNTRGBBM-UHFFFAOYSA-N 1 0 332.360 1.990 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000430620398 305059613 /nfs/dbraw/zinc/05/96/13/305059613.db2.gz HRKUWBDGUTULMU-SWLSCSKDSA-N 1 0 332.404 1.686 20 5 EDBDRO C[NH2+]C[C@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000430925472 305068446 /nfs/dbraw/zinc/06/84/46/305068446.db2.gz LTGSDDBZASGQAO-GFCCVEGCSA-N 1 0 334.376 1.434 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430961357 305071081 /nfs/dbraw/zinc/07/10/81/305071081.db2.gz NRMLUSZWXIKJQB-GVXVVHGQSA-N 1 0 336.392 1.600 20 5 EDBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000435042131 305135292 /nfs/dbraw/zinc/13/52/92/305135292.db2.gz LTUZPTVXLCLXFZ-UEOUDEGLSA-N 1 0 344.371 1.672 20 5 EDBDRO C[C@@H](O)C[N@H+](C)C1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000436394389 305156610 /nfs/dbraw/zinc/15/66/10/305156610.db2.gz GLMCSOPJPLUWHV-GFCCVEGCSA-N 1 0 334.420 1.844 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000440444839 305206953 /nfs/dbraw/zinc/20/69/53/305206953.db2.gz UFYDTKULNGKJEH-GFCCVEGCSA-N 1 0 325.390 1.418 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000445267695 305258751 /nfs/dbraw/zinc/25/87/51/305258751.db2.gz YEMFRURVGCZKOR-LLVKDONJSA-N 1 0 346.391 1.755 20 5 EDBDRO CC(C)COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447543329 305281740 /nfs/dbraw/zinc/28/17/40/305281740.db2.gz RWZQSZHJRVARFN-RBSFLKMASA-N 1 0 340.424 1.898 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCC[C@H]2OC)cc1[N+](=O)[O-] ZINC000449525623 305312831 /nfs/dbraw/zinc/31/28/31/305312831.db2.gz WMKLSWYSAPCFKR-TZMCWYRMSA-N 1 0 338.360 1.804 20 5 EDBDRO Cc1cc(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)cc([N+](=O)[O-])c1 ZINC000449689997 305317029 /nfs/dbraw/zinc/31/70/29/305317029.db2.gz MQRJUEYDNXIZMB-AWEZNQCLSA-N 1 0 333.388 1.731 20 5 EDBDRO Nc1c(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc(F)cc1[N+](=O)[O-] ZINC000449696151 305317286 /nfs/dbraw/zinc/31/72/86/305317286.db2.gz JQUXUBSNACRYAQ-WDEREUQCSA-N 1 0 336.367 1.778 20 5 EDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000449701879 305317547 /nfs/dbraw/zinc/31/75/47/305317547.db2.gz CPWSKRCYFXHMGY-DGCLKSJQSA-N 1 0 339.417 1.570 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000451631431 305357653 /nfs/dbraw/zinc/35/76/53/305357653.db2.gz NPVQPVKQIJSXSK-HEHGZKQESA-N 1 0 332.404 1.866 20 5 EDBDRO CC1(C)COC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000451816646 305370791 /nfs/dbraw/zinc/37/07/91/305370791.db2.gz ZMLHEDHSDRMPIO-CYBMUJFWSA-N 1 0 328.390 1.383 20 5 EDBDRO COC(=O)[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1 ZINC000452007866 305377870 /nfs/dbraw/zinc/37/78/70/305377870.db2.gz RMXCIUKEVOKFEJ-HOTGVXAUSA-N 1 0 344.371 1.680 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000452173188 305385661 /nfs/dbraw/zinc/38/56/61/305385661.db2.gz MCMWBYSIRLOFEV-GFCCVEGCSA-N 1 0 349.435 1.741 20 5 EDBDRO CC(C)(C(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccccc1[N+](=O)[O-] ZINC000452386889 305396833 /nfs/dbraw/zinc/39/68/33/305396833.db2.gz YGHHQXOGNDJVPN-AWEZNQCLSA-N 1 0 349.431 1.835 20 5 EDBDRO CNc1nc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456046484 305450705 /nfs/dbraw/zinc/45/07/05/305450705.db2.gz GEPWNZDOXUNZTR-RYUDHWBXSA-N 1 0 333.392 1.730 20 5 EDBDRO CNS(=O)(=O)c1ccc(NC[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000489019112 305560948 /nfs/dbraw/zinc/56/09/48/305560948.db2.gz RXXUPTMBLNGHKW-JTQLQIEISA-N 1 0 330.410 1.113 20 5 EDBDRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])[C@@H](C)C2)s1 ZINC000377793463 447359247 /nfs/dbraw/zinc/35/92/47/447359247.db2.gz SHFAUIDSIMCZMC-VZLIPTOUSA-N 1 0 338.433 1.443 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCOc2ccc(F)cc2F)c1 ZINC000519536166 305769639 /nfs/dbraw/zinc/76/96/39/305769639.db2.gz CHTRJWRVBCERQY-GFCCVEGCSA-N 1 0 342.302 1.099 20 5 EDBDRO C[NH+](C)CCOCCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000538649873 306031332 /nfs/dbraw/zinc/03/13/32/306031332.db2.gz LVGWQFDXDGIANC-UHFFFAOYSA-N 1 0 336.392 1.477 20 5 EDBDRO C[C@@H](C(=O)NCCOCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000542635817 306055467 /nfs/dbraw/zinc/05/54/67/306055467.db2.gz ALSWLDHWWXLUHF-LLVKDONJSA-N 1 0 327.356 1.532 20 5 EDBDRO COc1cc(S(=O)(=O)NC[C@H](C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000548697852 306135341 /nfs/dbraw/zinc/13/53/41/306135341.db2.gz LHSZKRQMWOGPNP-NSHDSACASA-N 1 0 343.405 1.366 20 5 EDBDRO C[NH2+][C@@H](C)CNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000414964102 447376292 /nfs/dbraw/zinc/37/62/92/447376292.db2.gz BXHNVYUASVBOTA-VIFPVBQESA-N 1 0 333.335 1.945 20 5 EDBDRO C[N@@H+]1C[C@@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@H]2[C@H]1c1ccccc1 ZINC000377830235 447375764 /nfs/dbraw/zinc/37/57/64/447375764.db2.gz BXWVTHKICORCHB-UMVBOHGHSA-N 1 0 340.387 1.706 20 5 EDBDRO C[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[N@H+](C)C1CC1 ZINC000057709471 441129445 /nfs/dbraw/zinc/12/94/45/441129445.db2.gz OKHSEGBYHAATQI-LBPRGKRZSA-N 1 0 343.387 1.993 20 5 EDBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000071144336 441141804 /nfs/dbraw/zinc/14/18/04/441141804.db2.gz BXDUYDDYEJMAFJ-SECBINFHSA-N 1 0 333.797 1.478 20 5 EDBDRO O=C(C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000015297777 441199357 /nfs/dbraw/zinc/19/93/57/441199357.db2.gz UZOGGUJRLGXGJD-UHFFFAOYSA-N 1 0 333.388 1.666 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)C[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000104748721 441203559 /nfs/dbraw/zinc/20/35/59/441203559.db2.gz NWPQXLMZRSXYIE-LBPRGKRZSA-N 1 0 327.406 1.475 20 5 EDBDRO C[NH+]1CCC(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000048773668 441331502 /nfs/dbraw/zinc/33/15/02/441331502.db2.gz URYGDNZMQSLDTC-UHFFFAOYSA-N 1 0 340.767 1.397 20 5 EDBDRO CCS(=O)(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000074337483 441423069 /nfs/dbraw/zinc/42/30/69/441423069.db2.gz RSFPJZHVANPKOY-UHFFFAOYSA-N 1 0 327.406 1.499 20 5 EDBDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000108406513 441452302 /nfs/dbraw/zinc/45/23/02/441452302.db2.gz LKEKNJJWDJINTB-SNVBAGLBSA-N 1 0 347.824 1.868 20 5 EDBDRO O=[N+]([O-])c1ccc(OCCN2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000085857478 441453494 /nfs/dbraw/zinc/45/34/94/441453494.db2.gz OKGVXZDTVYFSOG-IAGOWNOFSA-N 1 0 349.431 1.895 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000053667187 441535086 /nfs/dbraw/zinc/53/50/86/441535086.db2.gz GIBWLFBMTWPSOB-VXGBXAGGSA-N 1 0 343.380 1.639 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](CCc2cccc(F)c2)C2CC2)c1 ZINC000075743833 441553703 /nfs/dbraw/zinc/55/37/03/441553703.db2.gz ZNVOXQOVCQTIFX-KRWDZBQOSA-N 1 0 348.378 1.998 20 5 EDBDRO CC[NH+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000112918349 441568533 /nfs/dbraw/zinc/56/85/33/441568533.db2.gz BGFGPTDQZPJBQL-UHFFFAOYSA-N 1 0 340.811 1.616 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000090145258 441622547 /nfs/dbraw/zinc/62/25/47/441622547.db2.gz OHFODUZZJGLDCH-UHFFFAOYSA-N 1 0 344.375 1.219 20 5 EDBDRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000076317344 441629248 /nfs/dbraw/zinc/62/92/48/441629248.db2.gz WYVFJMGQYNGKAG-UHFFFAOYSA-N 1 0 348.403 1.832 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000055245952 441633664 /nfs/dbraw/zinc/63/36/64/441633664.db2.gz HFJZIQGXOBZWIH-UHFFFAOYSA-N 1 0 339.417 1.844 20 5 EDBDRO Cc1c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000041890861 441681862 /nfs/dbraw/zinc/68/18/62/441681862.db2.gz GTNWHWVJVOLWJK-LBPRGKRZSA-N 1 0 346.387 1.442 20 5 EDBDRO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1[n-]ncc1[N+](=O)[O-] ZINC000136604572 441706069 /nfs/dbraw/zinc/70/60/69/441706069.db2.gz UXZOTBQMAFQCCW-UHFFFAOYSA-N 1 0 345.359 1.080 20 5 EDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000173336139 441715475 /nfs/dbraw/zinc/71/54/75/441715475.db2.gz WEKAJNPOAUJJNM-JSGCOSHPSA-N 1 0 327.406 1.532 20 5 EDBDRO CNS(=O)(=O)c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000067711370 441671883 /nfs/dbraw/zinc/67/18/83/441671883.db2.gz XIJYMYJXCMWXFY-SNVBAGLBSA-N 1 0 340.405 1.152 20 5 EDBDRO NC(=O)c1ccc(C[NH+]2CCC(C(=O)NC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000055913918 441673887 /nfs/dbraw/zinc/67/38/87/441673887.db2.gz SSLALQGRSMXKTE-UHFFFAOYSA-N 1 0 346.387 1.184 20 5 EDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000137591672 441774655 /nfs/dbraw/zinc/77/46/55/441774655.db2.gz IXWOEEARGZAJRF-CYBMUJFWSA-N 1 0 343.387 1.852 20 5 EDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000092687693 441821856 /nfs/dbraw/zinc/82/18/56/441821856.db2.gz CXZYHNMUXJTTQI-HNNXBMFYSA-N 1 0 333.436 1.905 20 5 EDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000142092981 441859706 /nfs/dbraw/zinc/85/97/06/441859706.db2.gz HAQFXYBWYYUJSE-CQSZACIVSA-N 1 0 332.404 1.971 20 5 EDBDRO CC[NH+]1CCN([C@H](C)CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173711742 441828594 /nfs/dbraw/zinc/82/85/94/441828594.db2.gz WFXOKZVCPPLPPX-CQSZACIVSA-N 1 0 334.420 1.280 20 5 EDBDRO Cn1cc(C[C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cn1 ZINC000159865757 441843573 /nfs/dbraw/zinc/84/35/73/441843573.db2.gz WQXQJBWOYNAFJQ-CYBMUJFWSA-N 1 0 331.376 1.055 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C1CC1 ZINC000160830061 441926611 /nfs/dbraw/zinc/92/66/11/441926611.db2.gz HJXNYNBCMMPNBE-YGRLFVJLSA-N 1 0 337.376 1.633 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000068974659 441877115 /nfs/dbraw/zinc/87/71/15/441877115.db2.gz NMUHPFIUUWEALR-ZDUSSCGKSA-N 1 0 348.403 1.171 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000160492670 441888413 /nfs/dbraw/zinc/88/84/13/441888413.db2.gz FNRUTWYIBKOUQN-CQSZACIVSA-N 1 0 343.387 1.895 20 5 EDBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H](O)CN1CCOCC1 ZINC000093583156 441890738 /nfs/dbraw/zinc/89/07/38/441890738.db2.gz UIFMXCGZXBDMIS-NBUZRDOWSA-N 1 0 335.404 1.233 20 5 EDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000069139119 441897063 /nfs/dbraw/zinc/89/70/63/441897063.db2.gz RFSYGYWIEHPMGG-LLVKDONJSA-N 1 0 331.376 1.933 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000146624440 441898981 /nfs/dbraw/zinc/89/89/81/441898981.db2.gz NUCWXNXQIPRZRY-GFCCVEGCSA-N 1 0 325.390 1.454 20 5 EDBDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174859627 441976024 /nfs/dbraw/zinc/97/60/24/441976024.db2.gz QEZZHCIALAEAQO-ZDUSSCGKSA-N 1 0 337.424 1.666 20 5 EDBDRO CCC[N@H+](CC)CCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000174667562 441952686 /nfs/dbraw/zinc/95/26/86/441952686.db2.gz AUIVBWVSZRWSNO-UHFFFAOYSA-N 1 0 325.413 1.646 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1C ZINC000125208331 441997052 /nfs/dbraw/zinc/99/70/52/441997052.db2.gz CBICKYFXIOKMIU-VXGBXAGGSA-N 1 0 327.406 1.760 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000125151708 441989813 /nfs/dbraw/zinc/98/98/13/441989813.db2.gz GARAMRMDXUDMSD-UWVGGRQHSA-N 1 0 329.378 1.152 20 5 EDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000162334067 442084365 /nfs/dbraw/zinc/08/43/65/442084365.db2.gz TUHCSEUPWYOBTC-AAEUAGOBSA-N 1 0 338.433 1.177 20 5 EDBDRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000120757046 442127306 /nfs/dbraw/zinc/12/73/06/442127306.db2.gz YUFFPRZDFMWREZ-AAEUAGOBSA-N 1 0 334.376 1.474 20 5 EDBDRO O=C(CN1CC[C@@H]([NH+]2CCCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000170744428 442256459 /nfs/dbraw/zinc/25/64/59/442256459.db2.gz YZQDWTREXWABJJ-MRXNPFEDSA-N 1 0 344.415 1.654 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000177047536 442289771 /nfs/dbraw/zinc/28/97/71/442289771.db2.gz INFJMPOQECIDJK-UHFFFAOYSA-N 1 0 349.366 1.487 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000154335964 442333484 /nfs/dbraw/zinc/33/34/84/442333484.db2.gz CILLHNWPGWQJMX-OAHLLOKOSA-N 1 0 339.417 1.531 20 5 EDBDRO Cc1c(C(=O)NC[C@H]2CCCC[NH2+]2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000130647853 442352798 /nfs/dbraw/zinc/35/27/98/442352798.db2.gz XNKDKZLUUATTDA-GFCCVEGCSA-N 1 0 344.375 1.356 20 5 EDBDRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000155142428 442377972 /nfs/dbraw/zinc/37/79/72/442377972.db2.gz LTQDSUIOTODMRH-TXEJJXNPSA-N 1 0 349.387 1.460 20 5 EDBDRO CN(C(=O)CN1CCC[N@@H+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000172541176 442484999 /nfs/dbraw/zinc/48/49/99/442484999.db2.gz BBWZBIPNSNSSPX-UHFFFAOYSA-N 1 0 332.404 1.728 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)c1C ZINC000178927385 442528656 /nfs/dbraw/zinc/52/86/56/442528656.db2.gz XWZAFWKPGOGRCH-GFCCVEGCSA-N 1 0 341.433 1.960 20 5 EDBDRO Cn1cc(C[NH2+]CC(=O)NCC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180385789 442591777 /nfs/dbraw/zinc/59/17/77/442591777.db2.gz DWRVGQAYUJAQFB-UHFFFAOYSA-N 1 0 343.387 1.611 20 5 EDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000157571574 442593375 /nfs/dbraw/zinc/59/33/75/442593375.db2.gz FBOZTJALLJKLOZ-VXGBXAGGSA-N 1 0 330.348 1.033 20 5 EDBDRO Cc1ccc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000157625263 442599188 /nfs/dbraw/zinc/59/91/88/442599188.db2.gz SDSUDKFDZGGDCU-ZDUSSCGKSA-N 1 0 349.435 1.908 20 5 EDBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccco1 ZINC000180550996 442621834 /nfs/dbraw/zinc/62/18/34/442621834.db2.gz DASQIMWHSOHGOT-CYBMUJFWSA-N 1 0 347.375 1.978 20 5 EDBDRO CN1CCN(C(=O)CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192821313 442689802 /nfs/dbraw/zinc/68/98/02/442689802.db2.gz PXHFBPGCLRBHNW-QGZVFWFLSA-N 1 0 346.431 1.726 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NCC2=CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000193389054 442738402 /nfs/dbraw/zinc/73/84/02/442738402.db2.gz CUNVWFTYSWCAFN-UHFFFAOYSA-N 1 0 325.390 1.410 20 5 EDBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000182500808 442777378 /nfs/dbraw/zinc/77/73/78/442777378.db2.gz RNVVDWSQURZXHP-UHFFFAOYSA-N 1 0 349.435 1.374 20 5 EDBDRO CCOC(=O)c1ccnc(NCCC[N@H+](C)CCOC)c1[N+](=O)[O-] ZINC000265539103 442815535 /nfs/dbraw/zinc/81/55/35/442815535.db2.gz CYWRUXIJSWSLKW-UHFFFAOYSA-N 1 0 340.380 1.547 20 5 EDBDRO COC(=O)CC1([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCOCC1 ZINC000268049684 442829607 /nfs/dbraw/zinc/82/96/07/442829607.db2.gz RSTVLEABKUVXAT-UHFFFAOYSA-N 1 0 338.360 1.805 20 5 EDBDRO COc1cc(C[NH2+]C[C@](C)(O)CSC)c([N+](=O)[O-])cc1OC ZINC000265684364 442879014 /nfs/dbraw/zinc/87/90/14/442879014.db2.gz KHTAAIJVERMTFJ-AWEZNQCLSA-N 1 0 330.406 1.816 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000268176144 442884460 /nfs/dbraw/zinc/88/44/60/442884460.db2.gz KSBFJEMDSJFBJU-ZWNOBZJWSA-N 1 0 349.387 1.825 20 5 EDBDRO Cc1nn(CCC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000268191144 442891703 /nfs/dbraw/zinc/89/17/03/442891703.db2.gz HSCLEPPPVSXKQM-QMTHXVAHSA-N 1 0 335.408 1.397 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000183218912 442906294 /nfs/dbraw/zinc/90/62/94/442906294.db2.gz IJILCVFSQHTLIS-RYUDHWBXSA-N 1 0 337.376 1.635 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000268262691 442923559 /nfs/dbraw/zinc/92/35/59/442923559.db2.gz ZPWKZCSUDIKRPO-BMIGLBTASA-N 1 0 347.371 1.594 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccccc1 ZINC000194625312 442926966 /nfs/dbraw/zinc/92/69/66/442926966.db2.gz AYDXTQIDMKGNNY-AWEZNQCLSA-N 1 0 330.344 1.728 20 5 EDBDRO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000183456338 442933310 /nfs/dbraw/zinc/93/33/10/442933310.db2.gz MPGXIOWXQLRVLV-IINYFYTJSA-N 1 0 337.376 1.945 20 5 EDBDRO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+](C)C ZINC000268307744 442941018 /nfs/dbraw/zinc/94/10/18/442941018.db2.gz YLBCOQAZLKFQTD-CABZTGNLSA-N 1 0 347.824 1.819 20 5 EDBDRO CCC[C@]1(COC)CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000194928821 442969834 /nfs/dbraw/zinc/96/98/34/442969834.db2.gz XCLKCRSSVDUFTP-LSDHHAIUSA-N 1 0 326.397 1.433 20 5 EDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000189432721 442951737 /nfs/dbraw/zinc/95/17/37/442951737.db2.gz ZIMWFXFLXJRMBR-AWEZNQCLSA-N 1 0 337.420 1.751 20 5 EDBDRO Cc1c(CN2CC[NH+](CCC(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000268509126 443015092 /nfs/dbraw/zinc/01/50/92/443015092.db2.gz UIPWQPMZHFGDDI-UHFFFAOYSA-N 1 0 334.420 1.499 20 5 EDBDRO C[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](CO)O1 ZINC000190106081 443057787 /nfs/dbraw/zinc/05/77/87/443057787.db2.gz WDUGBARADXKSSF-SWLSCSKDSA-N 1 0 347.371 1.874 20 5 EDBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[NH2+]CC2)CC1 ZINC000221257480 443069701 /nfs/dbraw/zinc/06/97/01/443069701.db2.gz JZDSHTWBKOLQDX-UHFFFAOYSA-N 1 0 332.404 1.877 20 5 EDBDRO COC(=O)C1=NOC2(C1)CC[NH+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000185095404 443135796 /nfs/dbraw/zinc/13/57/96/443135796.db2.gz PWQNJHNXTVMBKI-UHFFFAOYSA-N 1 0 347.371 1.921 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000268814461 443116549 /nfs/dbraw/zinc/11/65/49/443116549.db2.gz RUCWKWFKMPGWJX-CYBMUJFWSA-N 1 0 341.433 1.926 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000237191350 443163477 /nfs/dbraw/zinc/16/34/77/443163477.db2.gz ADZHVVBLHDLQCJ-JTQLQIEISA-N 1 0 329.378 1.024 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000261965146 443176420 /nfs/dbraw/zinc/17/64/20/443176420.db2.gz AUJORNHWHGEQOC-LBPRGKRZSA-N 1 0 329.360 1.605 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000299415683 318901264 /nfs/dbraw/zinc/90/12/64/318901264.db2.gz WKVLWYUEUORQJZ-OCCSQVGLSA-N 1 0 348.403 1.831 20 5 EDBDRO COC(=O)c1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000301590582 318915155 /nfs/dbraw/zinc/91/51/55/318915155.db2.gz XILXUGXQHVKMNC-CYBMUJFWSA-N 1 0 349.387 1.540 20 5 EDBDRO COc1cc(OCC(=O)N2C[C@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000185197814 443159503 /nfs/dbraw/zinc/15/95/03/443159503.db2.gz WQFQVGQGUFLGAM-RTXFEEFZSA-N 1 0 335.360 1.178 20 5 EDBDRO COc1ccc(OCC[N@H+](C)CCc2noc(C)n2)c([N+](=O)[O-])c1 ZINC000266748610 443228020 /nfs/dbraw/zinc/22/80/20/443228020.db2.gz PFTMMMAKMWTYAV-UHFFFAOYSA-N 1 0 336.348 1.848 20 5 EDBDRO CCc1n[nH]c(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1[N+](=O)[O-] ZINC000185672881 443236144 /nfs/dbraw/zinc/23/61/44/443236144.db2.gz RFZAOLHRUVCSKZ-LLVKDONJSA-N 1 0 325.413 1.977 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000262738295 443209028 /nfs/dbraw/zinc/20/90/28/443209028.db2.gz HRSSYECWZGPNBE-WCQYABFASA-N 1 0 341.433 1.905 20 5 EDBDRO C[C@H]([NH2+][C@H](CO)[C@H]1CCCOC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411995512 319219781 /nfs/dbraw/zinc/21/97/81/319219781.db2.gz QADSWGBSTLGNSW-SLEUVZQESA-N 1 0 337.376 1.299 20 5 EDBDRO CC[N@@H+]1CC[C@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 ZINC000413565234 319277722 /nfs/dbraw/zinc/27/77/22/319277722.db2.gz HBGRVNSTJCGIHF-NSHDSACASA-N 1 0 342.421 1.351 20 5 EDBDRO CC[C@@H](CO)[NH+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269519305 443334565 /nfs/dbraw/zinc/33/45/65/443334565.db2.gz PZHNSUUNKNLBPN-PXTSUWAFSA-N 1 0 333.388 1.523 20 5 EDBDRO C[NH+](C)[C@]1(CNC(=O)CNc2ccccc2[N+](=O)[O-])CCSC1 ZINC000267196561 443374381 /nfs/dbraw/zinc/37/43/81/443374381.db2.gz DGFUYVYBNSOVGE-HNNXBMFYSA-N 1 0 338.433 1.560 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1 ZINC000269680389 443393102 /nfs/dbraw/zinc/39/31/02/443393102.db2.gz XXVHJXZUHDLJEF-SJORKVTESA-N 1 0 335.404 1.425 20 5 EDBDRO COC(=O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269658307 443383104 /nfs/dbraw/zinc/38/31/04/443383104.db2.gz NTXLOETZXRYXOG-GFCCVEGCSA-N 1 0 335.360 1.951 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1([S@](C)=O)CC1 ZINC000282485928 443353453 /nfs/dbraw/zinc/35/34/53/443353453.db2.gz XFUFKZKSPFCSOG-BGJPBQGDSA-N 1 0 339.417 1.813 20 5 EDBDRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420428937 319617404 /nfs/dbraw/zinc/61/74/04/319617404.db2.gz ZENVIBDMSJDFOL-GFCCVEGCSA-N 1 0 341.433 1.526 20 5 EDBDRO C[C@@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272781276 443442672 /nfs/dbraw/zinc/44/26/72/443442672.db2.gz RMWLCECQVGGPBU-CYBMUJFWSA-N 1 0 347.419 1.956 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000267401468 443444255 /nfs/dbraw/zinc/44/42/55/443444255.db2.gz OLVJUPYKJMWRPE-SNVBAGLBSA-N 1 0 327.768 1.699 20 5 EDBDRO C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000273000945 443515269 /nfs/dbraw/zinc/51/52/69/443515269.db2.gz PDYHNSPWVWMMPE-XHDPSFHLSA-N 1 0 334.376 1.544 20 5 EDBDRO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000279402585 443577754 /nfs/dbraw/zinc/57/77/54/443577754.db2.gz DBCWQBSBEZPSGQ-KRWDZBQOSA-N 1 0 344.415 1.870 20 5 EDBDRO COC[C@@](C)([NH3+])CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC ZINC000279408593 443580722 /nfs/dbraw/zinc/58/07/22/443580722.db2.gz JGGWQPLJOMEFMC-ZDUSSCGKSA-N 1 0 331.756 1.811 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000272289868 443580748 /nfs/dbraw/zinc/58/07/48/443580748.db2.gz PHPRUQOIGILNGM-NWDGAFQWSA-N 1 0 329.360 1.590 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000286077651 443641238 /nfs/dbraw/zinc/64/12/38/443641238.db2.gz CPROXOOUEOQRDZ-WCQYABFASA-N 1 0 334.376 1.697 20 5 EDBDRO CC1(C)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1O ZINC000279877867 443634627 /nfs/dbraw/zinc/63/46/27/443634627.db2.gz UFUUAGFVFZWNLM-ZDUSSCGKSA-N 1 0 325.340 1.765 20 5 EDBDRO COc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc([N+](=O)[O-])c1OC ZINC000429171949 319923026 /nfs/dbraw/zinc/92/30/26/319923026.db2.gz PTDVYOMPKMTAAQ-MFKMUULPSA-N 1 0 337.376 1.811 20 5 EDBDRO CS(=O)(=O)NC[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283569917 443663184 /nfs/dbraw/zinc/66/31/84/443663184.db2.gz OJVHFHWWCDDGBY-GFCCVEGCSA-N 1 0 345.396 1.638 20 5 EDBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435249644 320014403 /nfs/dbraw/zinc/01/44/03/320014403.db2.gz VDMYXRRWWGVYJH-HNNXBMFYSA-N 1 0 341.371 1.747 20 5 EDBDRO COCCC[NH+]1CCC(Nc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000439172472 320041270 /nfs/dbraw/zinc/04/12/70/320041270.db2.gz XLCMMIWLWIGZJI-UHFFFAOYSA-N 1 0 336.392 1.607 20 5 EDBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2[nH]ncc2[N+](=O)[O-])cc1 ZINC000286190757 443665248 /nfs/dbraw/zinc/66/52/48/443665248.db2.gz RTUVSMNMBDUBQB-LBPRGKRZSA-N 1 0 333.348 1.359 20 5 EDBDRO CO[C@@H]1CCN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000440851591 320083767 /nfs/dbraw/zinc/08/37/67/320083767.db2.gz VWBYGYLHHMUCIS-NWDGAFQWSA-N 1 0 343.405 1.030 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452357193 320248381 /nfs/dbraw/zinc/24/83/81/320248381.db2.gz DTYMNMYFWADHEA-CYBMUJFWSA-N 1 0 337.376 1.180 20 5 EDBDRO CC[C@@H](C)[NH+]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000456523695 320309099 /nfs/dbraw/zinc/30/90/99/320309099.db2.gz FOOSYLDEXYWRFY-CQSZACIVSA-N 1 0 334.420 1.974 20 5 EDBDRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292691543 443818536 /nfs/dbraw/zinc/81/85/36/443818536.db2.gz CPKYLIBCMHRVLC-OAHLLOKOSA-N 1 0 339.417 1.701 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCN(c2ccc(N)nc2)CC1 ZINC000288257218 443822014 /nfs/dbraw/zinc/82/20/14/443822014.db2.gz YEYKIQPQOGJARP-UHFFFAOYSA-N 1 0 331.380 1.423 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000276786504 443826857 /nfs/dbraw/zinc/82/68/57/443826857.db2.gz IVLNWNMDOXEEEQ-OLZOCXBDSA-N 1 0 341.433 1.782 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000285114984 443861052 /nfs/dbraw/zinc/86/10/52/443861052.db2.gz RDWZILLGDRBVMS-AAEUAGOBSA-N 1 0 334.376 1.615 20 5 EDBDRO CN(CCC[NH+]1CCCC1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000281529945 443936643 /nfs/dbraw/zinc/93/66/43/443936643.db2.gz ZWYVJHQGXYVTNJ-UHFFFAOYSA-N 1 0 346.431 1.902 20 5 EDBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000299070769 443945055 /nfs/dbraw/zinc/94/50/55/443945055.db2.gz KGIYGOMJKOGKNU-UHFFFAOYSA-N 1 0 340.449 1.754 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)c1F ZINC000285300910 443933326 /nfs/dbraw/zinc/93/33/26/443933326.db2.gz PMTWFRVHHHESOS-ZIAGYGMSSA-N 1 0 337.351 1.587 20 5 EDBDRO C[C@H](Cn1ccnc1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000299201556 443981697 /nfs/dbraw/zinc/98/16/97/443981697.db2.gz DMTBXGNIPCAFAD-SECBINFHSA-N 1 0 344.780 1.812 20 5 EDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289100441 444052670 /nfs/dbraw/zinc/05/26/70/444052670.db2.gz CEXDTZWOSYDABH-MRXNPFEDSA-N 1 0 329.360 1.687 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(CC(=O)Nc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000293405578 444008048 /nfs/dbraw/zinc/00/80/48/444008048.db2.gz YNRVKWOVYRCJHH-JKSUJKDBSA-N 1 0 348.403 1.328 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2C[C@H](c3ccccc3F)C2)c1 ZINC000564864402 321153013 /nfs/dbraw/zinc/15/30/13/321153013.db2.gz QAWYLALCZKRPRR-YRGRVCCFSA-N 1 0 334.351 1.827 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000569194910 321321261 /nfs/dbraw/zinc/32/12/61/321321261.db2.gz CNQYBAPUBDWIFN-GHMZBOCLSA-N 1 0 333.344 1.048 20 5 EDBDRO O=c1c([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCCC3)C2)nc2ccccn12 ZINC000301142557 444148628 /nfs/dbraw/zinc/14/86/28/444148628.db2.gz GVTXEXZACVDSIO-GFCCVEGCSA-N 1 0 329.360 1.277 20 5 EDBDRO CCC[N@@H+]1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000301266550 444159167 /nfs/dbraw/zinc/15/91/67/444159167.db2.gz IIZLTRRXXGOZAZ-UHFFFAOYSA-N 1 0 342.421 1.164 20 5 EDBDRO Cc1c(CC(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000285989924 444170439 /nfs/dbraw/zinc/17/04/39/444170439.db2.gz YIFIHLKXJBZYAB-JKSUJKDBSA-N 1 0 333.388 1.377 20 5 EDBDRO COc1cc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)cc([N+](=O)[O-])c1C ZINC000285843293 444127130 /nfs/dbraw/zinc/12/71/30/444127130.db2.gz PZJHWBBYHSOTQV-HUUCEWRRSA-N 1 0 349.387 1.457 20 5 EDBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000286003665 444173863 /nfs/dbraw/zinc/17/38/63/444173863.db2.gz IVRPCZQQUQZPPV-CYBMUJFWSA-N 1 0 347.375 1.370 20 5 EDBDRO CN(C)c1ncccc1O[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000296068353 444202218 /nfs/dbraw/zinc/20/22/18/444202218.db2.gz VDHSPZBOIHODGC-AWEZNQCLSA-N 1 0 346.391 1.406 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000304359626 444248275 /nfs/dbraw/zinc/24/82/75/444248275.db2.gz TUKKJWAKQAFHLP-NVXWUHKLSA-N 1 0 330.388 1.859 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000577487610 321656982 /nfs/dbraw/zinc/65/69/82/321656982.db2.gz FWGPUZWRPBLNHS-ZDUSSCGKSA-N 1 0 341.433 1.872 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321982212 444338159 /nfs/dbraw/zinc/33/81/59/444338159.db2.gz MQUNTBAZJAFIDI-STQMWFEESA-N 1 0 339.417 1.748 20 5 EDBDRO O=C([C@@H]1CCCCC[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000325727703 444368813 /nfs/dbraw/zinc/36/88/13/444368813.db2.gz OIMNHTAAXSBKKF-AWEZNQCLSA-N 1 0 332.404 1.776 20 5 EDBDRO CC[NH+]1CCC(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000578472221 321779322 /nfs/dbraw/zinc/77/93/22/321779322.db2.gz IWJCRNRSEGKJFC-UHFFFAOYSA-N 1 0 342.421 1.386 20 5 EDBDRO C[N@H+](C[C@@H](O)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)C1CC1 ZINC000290830889 444328157 /nfs/dbraw/zinc/32/81/57/444328157.db2.gz UPQRWBQACIDVJM-OAHLLOKOSA-N 1 0 344.371 1.274 20 5 EDBDRO O=C1c2ccccc2C(=O)N1CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000337723367 444374956 /nfs/dbraw/zinc/37/49/56/444374956.db2.gz XWSXGGUBQNTXCW-UHFFFAOYSA-N 1 0 325.324 1.981 20 5 EDBDRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000340579938 444448295 /nfs/dbraw/zinc/44/82/95/444448295.db2.gz JWWDNAODZLGDJG-DZGCQCFKSA-N 1 0 344.371 1.288 20 5 EDBDRO Cc1cccc(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1[N+](=O)[O-] ZINC000579836778 321976760 /nfs/dbraw/zinc/97/67/60/321976760.db2.gz TVVRENXMIWNUOU-CYBMUJFWSA-N 1 0 344.375 1.431 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH2+]C[C@@H]1C(F)F ZINC000579958669 321992028 /nfs/dbraw/zinc/99/20/28/321992028.db2.gz OUPAMZIBBMIDMV-GFCCVEGCSA-N 1 0 328.319 1.381 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000331962812 444493053 /nfs/dbraw/zinc/49/30/53/444493053.db2.gz VFIFBPXGOWMAGA-WFASDCNBSA-N 1 0 339.417 1.748 20 5 EDBDRO COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)[NH+](C)C)c1 ZINC000338101644 444516633 /nfs/dbraw/zinc/51/66/33/444516633.db2.gz XJYHJJQWJRZTMC-HNNXBMFYSA-N 1 0 346.387 1.975 20 5 EDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342153940 444538162 /nfs/dbraw/zinc/53/81/62/444538162.db2.gz ISAMWGACZCAKCZ-ZOBORPQBSA-N 1 0 332.404 1.981 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000344000571 444720146 /nfs/dbraw/zinc/72/01/46/444720146.db2.gz VGWGZTSLEULYMD-JFILPPLUSA-N 1 0 333.388 1.933 20 5 EDBDRO COc1ccc(OCC[NH2+][C@@H]2CCC(=O)NC2(C)C)c([N+](=O)[O-])c1 ZINC000338600174 444768984 /nfs/dbraw/zinc/76/89/84/444768984.db2.gz RLNKFWYORIZIFZ-CQSZACIVSA-N 1 0 337.376 1.629 20 5 EDBDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000336862754 444808631 /nfs/dbraw/zinc/80/86/31/444808631.db2.gz GWZOAYRPHIJSMP-JTQLQIEISA-N 1 0 331.369 1.449 20 5 EDBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000341541868 444883665 /nfs/dbraw/zinc/88/36/65/444883665.db2.gz DRMBQLKOEVHUIL-BETUJISGSA-N 1 0 348.403 1.912 20 5 EDBDRO Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000338955740 444953095 /nfs/dbraw/zinc/95/30/95/444953095.db2.gz QDHOAHOUZUOORR-CQSZACIVSA-N 1 0 348.403 1.220 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2C[C@@H](OC)C[N@H+]2C)c1 ZINC000344500772 445014919 /nfs/dbraw/zinc/01/49/19/445014919.db2.gz ALACQJLVVSZCNH-WCQYABFASA-N 1 0 337.376 1.395 20 5 EDBDRO C[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000330522183 445017109 /nfs/dbraw/zinc/01/71/09/445017109.db2.gz MCPYORPWTTYNIR-LLVKDONJSA-N 1 0 328.390 1.185 20 5 EDBDRO Cn1c(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000337338512 445038739 /nfs/dbraw/zinc/03/87/39/445038739.db2.gz QCJOZOVHUZWPKT-AWEZNQCLSA-N 1 0 349.435 1.175 20 5 EDBDRO C[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000343141346 445091148 /nfs/dbraw/zinc/09/11/48/445091148.db2.gz XQXAFHDXFJHCHK-QWHCGFSZSA-N 1 0 336.392 1.136 20 5 EDBDRO C[C@H](C[NH+](C)C)NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000346137523 445206604 /nfs/dbraw/zinc/20/66/04/445206604.db2.gz FLQZEQNXMKXDHR-GFCCVEGCSA-N 1 0 336.392 1.111 20 5 EDBDRO COC(=O)C1CC[NH+](CCCNc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000354566355 445297197 /nfs/dbraw/zinc/29/71/97/445297197.db2.gz DJEFBERCMRKJBN-UHFFFAOYSA-N 1 0 336.392 1.985 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000351826404 445334782 /nfs/dbraw/zinc/33/47/82/445334782.db2.gz GWIOXEWPDGBEIT-VXGBXAGGSA-N 1 0 329.360 1.590 20 5 EDBDRO CN(C)C(=O)CC[NH+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000351890944 445358256 /nfs/dbraw/zinc/35/82/56/445358256.db2.gz HAKNYOURPXKYPJ-UHFFFAOYSA-N 1 0 338.383 1.330 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1[NH+](C)C ZINC000359777044 445423030 /nfs/dbraw/zinc/42/30/30/445423030.db2.gz DVCXJALRIYLRSQ-LRDDRELGSA-N 1 0 343.387 1.803 20 5 EDBDRO Cn1nccc1N1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000359798917 445434129 /nfs/dbraw/zinc/43/41/29/445434129.db2.gz IUUZPPQEMJKDOE-CQSZACIVSA-N 1 0 329.360 1.614 20 5 EDBDRO Cc1nn(C)c(N2CCC(CC[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000362753360 445532685 /nfs/dbraw/zinc/53/26/85/445532685.db2.gz NMSWISMMXNPPRR-UHFFFAOYSA-N 1 0 337.424 1.575 20 5 EDBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000357300714 445535354 /nfs/dbraw/zinc/53/53/54/445535354.db2.gz BQAYSDKYJULROB-CYBMUJFWSA-N 1 0 347.375 1.370 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000352540164 445535798 /nfs/dbraw/zinc/53/57/98/445535798.db2.gz HTPBDGSTGCOIBN-OAHLLOKOSA-N 1 0 339.417 1.667 20 5 EDBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000352119283 445505021 /nfs/dbraw/zinc/50/50/21/445505021.db2.gz DMLJPEICRNRQKZ-CQSZACIVSA-N 1 0 329.784 1.681 20 5 EDBDRO O=[N+]([O-])c1ccc(CN2CCN(CC[NH+]3CCCC3)CC2)c(F)c1 ZINC000352735827 445551425 /nfs/dbraw/zinc/55/14/25/445551425.db2.gz AGOLGGYGMQJQLL-UHFFFAOYSA-N 1 0 336.411 1.947 20 5 EDBDRO C[C@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000356047988 445589880 /nfs/dbraw/zinc/58/98/80/445589880.db2.gz OVFODMOMJZTSPL-FZMZJTMJSA-N 1 0 346.387 1.603 20 5 EDBDRO Cn1nccc1-c1ccccc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000352670908 445546902 /nfs/dbraw/zinc/54/69/02/445546902.db2.gz JLPYWTMISUAFQY-UHFFFAOYSA-N 1 0 326.360 1.982 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)n1 ZINC000360212875 445632474 /nfs/dbraw/zinc/63/24/74/445632474.db2.gz LSOGPGZRGUNCLB-GFCCVEGCSA-N 1 0 335.339 1.500 20 5 EDBDRO CCN1C[C@@H](C)[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000349660533 445638108 /nfs/dbraw/zinc/63/81/08/445638108.db2.gz CIHRCFZLZSIDQK-DOMZBBRYSA-N 1 0 341.433 1.298 20 5 EDBDRO NS(=O)(=O)C[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000353519944 445639510 /nfs/dbraw/zinc/63/95/10/445639510.db2.gz NZBSIZFWNWFNNE-IRBQFCFKSA-N 1 0 339.417 1.609 20 5 EDBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363020878 445652253 /nfs/dbraw/zinc/65/22/53/445652253.db2.gz WYFNWZAPZIGYTI-ZIAGYGMSSA-N 1 0 346.387 1.068 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363056184 445663191 /nfs/dbraw/zinc/66/31/91/445663191.db2.gz ULWSJEAYXRPPJQ-BFHYXJOUSA-N 1 0 331.372 1.857 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1csc(CC[NH3+])n1 ZINC000358768870 445765817 /nfs/dbraw/zinc/76/58/17/445765817.db2.gz KHTCVRVQKHIZGO-UHFFFAOYSA-N 1 0 336.373 1.491 20 5 EDBDRO CC[NH+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000350735190 445892056 /nfs/dbraw/zinc/89/20/56/445892056.db2.gz DQDYGGFLBQUNMX-JTQLQIEISA-N 1 0 330.410 1.384 20 5 EDBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000364983370 445973277 /nfs/dbraw/zinc/97/32/77/445973277.db2.gz YIOIPVJRCOOKNI-AWEZNQCLSA-N 1 0 336.367 1.652 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])nn2C)C[N@@H+]1Cc1ccccc1 ZINC000356749993 445987451 /nfs/dbraw/zinc/98/74/51/445987451.db2.gz ZAKQAVWTKIOMAX-TZMCWYRMSA-N 1 0 343.387 1.721 20 5 EDBDRO C[NH+](C)[C@H]1CCc2ccccc2[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000361830410 445987564 /nfs/dbraw/zinc/98/75/64/445987564.db2.gz MIOYGYGCOGFOCT-JSGCOSHPSA-N 1 0 328.376 1.997 20 5 EDBDRO CC(C)NS(=O)(=O)NCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582796040 325931484 /nfs/dbraw/zinc/93/14/84/325931484.db2.gz HSVUWCLEBROSNL-ZDUSSCGKSA-N 1 0 342.421 1.004 20 5 EDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000359193199 446019884 /nfs/dbraw/zinc/01/98/84/446019884.db2.gz IMENUKJVRDIYBM-MRXNPFEDSA-N 1 0 343.387 1.995 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000359218117 446048524 /nfs/dbraw/zinc/04/85/24/446048524.db2.gz CNIOPEJYGTVMFK-LBPRGKRZSA-N 1 0 334.376 1.639 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cc(F)c(Cl)cc2F)c1 ZINC000583199354 326024975 /nfs/dbraw/zinc/02/49/75/326024975.db2.gz LWUIAAJBUZJTGG-SNVBAGLBSA-N 1 0 346.721 1.874 20 5 EDBDRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000351503832 446108595 /nfs/dbraw/zinc/10/85/95/446108595.db2.gz UISUSTWHYPKQGH-NOZJJQNGSA-N 1 0 338.339 1.081 20 5 EDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359415320 446210692 /nfs/dbraw/zinc/21/06/92/446210692.db2.gz UROLOJWXOXFTOU-AWEZNQCLSA-N 1 0 347.318 1.239 20 5 EDBDRO C[C@@H](C(=O)N1C[C@H]2OCCN(C)[C@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000365674080 446296018 /nfs/dbraw/zinc/29/60/18/446296018.db2.gz CFPBBVRWBCKSCK-WKPIXPDZSA-N 1 0 337.351 1.379 20 5 EDBDRO O=C1[C@@H]([N@@H+]2CC[C@](O)(C3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365853794 446372092 /nfs/dbraw/zinc/37/20/92/446372092.db2.gz DMHOCEPYNCRTKW-DOTOQJQBSA-N 1 0 331.372 1.547 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000376189064 446372783 /nfs/dbraw/zinc/37/27/83/446372783.db2.gz RWPGKHQLVWTWLL-OLZOCXBDSA-N 1 0 349.387 1.965 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000420264598 446437691 /nfs/dbraw/zinc/43/76/91/446437691.db2.gz UFNBILWAUKDUJL-ZDUSSCGKSA-N 1 0 348.403 1.174 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN[C@@H](c2cccc(Cl)c2)C1 ZINC000374901749 446445606 /nfs/dbraw/zinc/44/56/06/446445606.db2.gz KXZWRSNMDMRHFZ-CYBMUJFWSA-N 1 0 349.778 1.618 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420278630 446446888 /nfs/dbraw/zinc/44/68/88/446446888.db2.gz VWJNIUSGGYLNSC-WFASDCNBSA-N 1 0 341.433 1.570 20 5 EDBDRO C[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000376446889 446501809 /nfs/dbraw/zinc/50/18/09/446501809.db2.gz DLPYBZKFZGIMOT-ZDUSSCGKSA-N 1 0 333.436 1.782 20 5 EDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420435885 446611026 /nfs/dbraw/zinc/61/10/26/446611026.db2.gz SZMIZYIQJYQDRX-NWDGAFQWSA-N 1 0 327.406 1.149 20 5 EDBDRO COc1ccc(NC(=O)CCN2C[C@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000420398167 446571156 /nfs/dbraw/zinc/57/11/56/446571156.db2.gz NBGKEUDBZAZYAH-RYUDHWBXSA-N 1 0 336.392 1.614 20 5 EDBDRO C[C@@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000420420306 446594953 /nfs/dbraw/zinc/59/49/53/446594953.db2.gz NQFRXRWAEUFKPJ-TZMCWYRMSA-N 1 0 341.433 1.445 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000420428112 446603083 /nfs/dbraw/zinc/60/30/83/446603083.db2.gz XXBNRHYISJUZLB-ZIAGYGMSSA-N 1 0 339.417 1.151 20 5 EDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000423712704 446653825 /nfs/dbraw/zinc/65/38/25/446653825.db2.gz DIMRLPABKLPDCX-GFCCVEGCSA-N 1 0 338.433 1.340 20 5 EDBDRO CN(C(=O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000375279006 446690471 /nfs/dbraw/zinc/69/04/71/446690471.db2.gz DPNMXMFUPBZXPE-PBHICJAKSA-N 1 0 346.387 1.204 20 5 EDBDRO C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000418778919 446697149 /nfs/dbraw/zinc/69/71/49/446697149.db2.gz JGWCPMROGKJRDG-CORIIIEPSA-N 1 0 348.403 1.406 20 5 EDBDRO Cc1c(CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)cccc1[N+](=O)[O-] ZINC000423816089 446705627 /nfs/dbraw/zinc/70/56/27/446705627.db2.gz XJGXVIHUVLNPOA-CQSZACIVSA-N 1 0 343.387 1.954 20 5 EDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000423963270 446799957 /nfs/dbraw/zinc/79/99/57/446799957.db2.gz VSUWTJBJILXJRS-CQSZACIVSA-N 1 0 331.376 1.884 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@@H]([NH+](C)C)C2)c1F ZINC000411981626 446773399 /nfs/dbraw/zinc/77/33/99/446773399.db2.gz IZKRGVSRZSGHED-SNVBAGLBSA-N 1 0 325.340 1.448 20 5 EDBDRO CC(C)COC[C@H](O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375402612 446776254 /nfs/dbraw/zinc/77/62/54/446776254.db2.gz KCCPZHHSANXVIW-UKRRQHHQSA-N 1 0 326.397 1.462 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC=C(c3cncc(F)c3)CC2)c1 ZINC000371378250 446816249 /nfs/dbraw/zinc/81/62/49/446816249.db2.gz HZJNSBWIESFKOO-INIZCTEOSA-N 1 0 347.350 1.476 20 5 EDBDRO COC(=O)[C@H]1CSCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000412080720 446839144 /nfs/dbraw/zinc/83/91/44/446839144.db2.gz QDFSDKFTCFAZGI-GFCCVEGCSA-N 1 0 340.401 1.812 20 5 EDBDRO CCSCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420974458 446944913 /nfs/dbraw/zinc/94/49/13/446944913.db2.gz OIPGMTATASPNIM-UHFFFAOYSA-N 1 0 347.462 1.558 20 5 EDBDRO CC[C@H](C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC ZINC000420975445 446947556 /nfs/dbraw/zinc/94/75/56/446947556.db2.gz QWIZOXRPTATBEG-CYBMUJFWSA-N 1 0 345.421 1.230 20 5 EDBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](CN2CCOCC2)C1 ZINC000377157311 446957621 /nfs/dbraw/zinc/95/76/21/446957621.db2.gz FANJUUFAXCKURH-AWEZNQCLSA-N 1 0 333.388 1.956 20 5 EDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000419153624 446969736 /nfs/dbraw/zinc/96/97/36/446969736.db2.gz PSRVBDMEDPJVRT-OLZOCXBDSA-N 1 0 348.403 1.373 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000419162485 446980496 /nfs/dbraw/zinc/98/04/96/446980496.db2.gz KHHNQFZJKVWMEO-HUBLWGQQSA-N 1 0 348.403 1.371 20 5 EDBDRO CC[C@H](CO)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413166843 447045529 /nfs/dbraw/zinc/04/55/29/447045529.db2.gz KZMFLLSCMAIEBK-SNVBAGLBSA-N 1 0 348.325 1.902 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000455151716 447065365 /nfs/dbraw/zinc/06/53/65/447065365.db2.gz AANYOOJSIPWLAO-CQSZACIVSA-N 1 0 336.392 1.872 20 5 EDBDRO O=[N+]([O-])c1cc(Br)ccc1CN1C[C@@H](O)C[C@@H]1CO ZINC000425417795 447154026 /nfs/dbraw/zinc/15/40/26/447154026.db2.gz IIGAAFWPMHEHNJ-MNOVXSKESA-N 1 0 331.166 1.285 20 5 EDBDRO C[N@H+](CCCCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)C1CC1 ZINC000413349312 447157685 /nfs/dbraw/zinc/15/76/85/447157685.db2.gz RNWNGIWNIRYIKB-UHFFFAOYSA-N 1 0 342.421 1.529 20 5 EDBDRO Cc1nn(CCC(=O)N2CCCC3(CC[NH2+]CC3)C2)c(C)c1[N+](=O)[O-] ZINC000368819914 447131587 /nfs/dbraw/zinc/13/15/87/447131587.db2.gz ZAWWPIYENTVMOI-UHFFFAOYSA-N 1 0 349.435 1.790 20 5 EDBDRO CNc1nc(C(=O)NC[C@]2([NH+](C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000455874969 447246894 /nfs/dbraw/zinc/24/68/94/447246894.db2.gz MGICWRROPXGATH-CQSZACIVSA-N 1 0 339.421 1.199 20 5 EDBDRO C[NH+](C)CCN1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000377577403 447217170 /nfs/dbraw/zinc/21/71/70/447217170.db2.gz PKFPRYYVYZZEJC-UHFFFAOYSA-N 1 0 338.383 1.443 20 5 EDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000421705602 447225501 /nfs/dbraw/zinc/22/55/01/447225501.db2.gz RTFNGGNQURIULF-LBPRGKRZSA-N 1 0 348.359 1.055 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000421767687 447243719 /nfs/dbraw/zinc/24/37/19/447243719.db2.gz BNHRUNRNICZMGT-ZDUSSCGKSA-N 1 0 348.447 1.825 20 5 EDBDRO CCn1cc[nH+]c1NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000414292628 447286377 /nfs/dbraw/zinc/28/63/77/447286377.db2.gz BOFNCAMOHAYCFU-UHFFFAOYSA-N 1 0 334.332 1.975 20 5 EDBDRO C[C@@H](O)C[N@H+](C)C1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000447685350 447287207 /nfs/dbraw/zinc/28/72/07/447287207.db2.gz KLRKTAPCNGKUOR-LLVKDONJSA-N 1 0 333.392 1.753 20 5 EDBDRO O=C(C[NH2+][C@@H](CO)[C@@H]1CCCO1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000447913529 447295991 /nfs/dbraw/zinc/29/59/91/447295991.db2.gz MLTMENCZFYPSBO-AAEUAGOBSA-N 1 0 343.767 1.316 20 5 EDBDRO O=[N+]([O-])c1cc2ccccc2nc1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000372749686 447267495 /nfs/dbraw/zinc/26/74/95/447267495.db2.gz ILNJPZUKJOJGLE-KBPBESRZSA-N 1 0 328.372 2.418 20 5 EDBDRO C[NH+](C)C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)c2ccccc2O1 ZINC000372783294 447283214 /nfs/dbraw/zinc/28/32/14/447283214.db2.gz IUGMITXARHUMAY-GFCCVEGCSA-N 1 0 345.359 1.147 20 5 EDBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000420038307 447560335 /nfs/dbraw/zinc/56/03/35/447560335.db2.gz KEKQKKYUPCAJCN-MRXNPFEDSA-N 1 0 334.376 1.509 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])C[C@H]12 ZINC000420232521 447679906 /nfs/dbraw/zinc/67/99/06/447679906.db2.gz UQQCYJQEXMHBNO-KWCYVHTRSA-N 1 0 330.388 1.661 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CCC[C@@H]([NH2+]C)C2)cc([N+](=O)[O-])c1 ZINC000422754308 447739216 /nfs/dbraw/zinc/73/92/16/447739216.db2.gz ALERLLUDFCGIAZ-CYBMUJFWSA-N 1 0 335.360 1.596 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430559788 447778239 /nfs/dbraw/zinc/77/82/39/447778239.db2.gz YBEDMOYAKPXZQR-XEZPLFJOSA-N 1 0 332.404 1.759 20 5 EDBDRO [NH3+][C@@H]1CCCCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423035106 447795607 /nfs/dbraw/zinc/79/56/07/447795607.db2.gz IVTJWAIKTXIYAC-HUUCEWRRSA-N 1 0 341.433 1.618 20 5 EDBDRO C[C@@H](CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])C[NH+](C)C ZINC000489010125 447851180 /nfs/dbraw/zinc/85/11/80/447851180.db2.gz VNOFHFNWGSQTQF-NSHDSACASA-N 1 0 344.437 1.455 20 5 EDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NCC[NH+](C)C ZINC000552310920 447943367 /nfs/dbraw/zinc/94/33/67/447943367.db2.gz OPQUMPQZXPEJNZ-VIFPVBQESA-N 1 0 342.783 1.044 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1ccsc1 ZINC000552926783 447964804 /nfs/dbraw/zinc/96/48/04/447964804.db2.gz YWFIXGDBIYLRCG-NSHDSACASA-N 1 0 335.389 1.666 20 5 EDBDRO O=C(CN1CC[C@H](CN2CCOC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000496842818 447960676 /nfs/dbraw/zinc/96/06/76/447960676.db2.gz YNKYHRKTNUJMNM-LBPRGKRZSA-N 1 0 348.359 1.307 20 5 EDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000525291449 447987631 /nfs/dbraw/zinc/98/76/31/447987631.db2.gz HIADRXVMYJSSRG-NSHDSACASA-N 1 0 335.360 1.438 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000525307200 447994698 /nfs/dbraw/zinc/99/46/98/447994698.db2.gz KVLJURYZTBAKAS-LBPRGKRZSA-N 1 0 341.433 1.777 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000531283516 448052981 /nfs/dbraw/zinc/05/29/81/448052981.db2.gz OTENBAJELGRIDO-LLVKDONJSA-N 1 0 334.376 1.300 20 5 EDBDRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])s3)C2)nn1 ZINC000571881315 448226265 /nfs/dbraw/zinc/22/62/65/448226265.db2.gz YQNQUVKCIHFRKJ-SNVBAGLBSA-N 1 0 336.377 1.184 20 5 EDBDRO COc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1Cl ZINC000582720813 448320284 /nfs/dbraw/zinc/32/02/84/448320284.db2.gz IMFDUNRITVKNMR-LBPRGKRZSA-N 1 0 340.767 1.604 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000591346327 448333151 /nfs/dbraw/zinc/33/31/51/448333151.db2.gz FEJISZNUSOIROR-OLZOCXBDSA-N 1 0 334.376 1.497 20 5 EDBDRO CCCN1C[C@@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O ZINC000591504092 448379987 /nfs/dbraw/zinc/37/99/87/448379987.db2.gz OOCHXBJUGHCJLI-GFCCVEGCSA-N 1 0 349.387 1.714 20 5 EDBDRO C[C@@](C[NH3+])(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000566246291 448429044 /nfs/dbraw/zinc/42/90/44/448429044.db2.gz SUKXNFABXAMUCH-AWEZNQCLSA-N 1 0 327.406 1.086 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCc3ccccc3C2)c1 ZINC000591741857 448478774 /nfs/dbraw/zinc/47/87/74/448478774.db2.gz YLCAWLLQVJMXNS-GUYCJALGSA-N 1 0 330.388 1.547 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2COc3ccc(Cl)cc32)c1 ZINC000591754442 448481678 /nfs/dbraw/zinc/48/16/78/448481678.db2.gz LSAJDHRVEMIUHP-WCQYABFASA-N 1 0 338.751 1.529 20 5 EDBDRO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000584400748 448511677 /nfs/dbraw/zinc/51/16/77/448511677.db2.gz XVYVYWOSKYEXMK-LBPRGKRZSA-N 1 0 336.392 1.276 20 5 EDBDRO CC(C)[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccnc1 ZINC000584525148 448555912 /nfs/dbraw/zinc/55/59/12/448555912.db2.gz WHTKBEUBWUABLR-JKSUJKDBSA-N 1 0 333.392 1.577 20 5 EDBDRO C[C@]1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000566791497 448558273 /nfs/dbraw/zinc/55/82/73/448558273.db2.gz CJSLFVKEFMBYJZ-CQSZACIVSA-N 1 0 328.390 1.527 20 5 EDBDRO C[NH+]1CCN(CCCNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000591888630 448541141 /nfs/dbraw/zinc/54/11/41/448541141.db2.gz FERGMSXXCJMJBP-UHFFFAOYSA-N 1 0 333.436 1.918 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCS(=O)(=O)NC(C)C ZINC000536859156 448544546 /nfs/dbraw/zinc/54/45/46/448544546.db2.gz RARFKUWHRDHPNE-LBPRGKRZSA-N 1 0 329.422 1.882 20 5 EDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000591984436 448610359 /nfs/dbraw/zinc/61/03/59/448610359.db2.gz GRWRAYWXJBJJGX-JTQLQIEISA-N 1 0 332.364 1.027 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000518307126 448661713 /nfs/dbraw/zinc/66/17/13/448661713.db2.gz NRXDFXKAAYIHML-HOTGVXAUSA-N 1 0 348.403 1.900 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CCOCCO)[C@H]1CC[C@H](O)CC1 ZINC000592130989 448700769 /nfs/dbraw/zinc/70/07/69/448700769.db2.gz OAXJFVYCZHNNKX-WKILWMFISA-N 1 0 338.404 1.709 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592256249 448764521 /nfs/dbraw/zinc/76/45/21/448764521.db2.gz WHKMNPXTQPZWLJ-GJZGRUSLSA-N 1 0 349.435 1.728 20 5 EDBDRO Cc1ncsc1CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000579223177 448743314 /nfs/dbraw/zinc/74/33/14/448743314.db2.gz QWERNSMAYYQPPM-LBPRGKRZSA-N 1 0 337.401 1.932 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000592367217 448807821 /nfs/dbraw/zinc/80/78/21/448807821.db2.gz YNHVOIFQURAGEB-JTQLQIEISA-N 1 0 343.405 1.351 20 5 EDBDRO COc1cc(CN(C)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC(F)F ZINC000567865365 448777837 /nfs/dbraw/zinc/77/78/37/448777837.db2.gz ZFHVGEQGOHCWAY-SNVBAGLBSA-N 1 0 331.319 1.999 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000592381577 448813989 /nfs/dbraw/zinc/81/39/89/448813989.db2.gz XIOYFLYIRIMUSA-JSGCOSHPSA-N 1 0 339.417 1.530 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592381893 448814270 /nfs/dbraw/zinc/81/42/70/448814270.db2.gz JGXXTUGEVTUYCI-CHWSQXEVSA-N 1 0 341.433 1.960 20 5 EDBDRO CC[C@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC[C@@H]1[NH3+] ZINC000592333197 448795260 /nfs/dbraw/zinc/79/52/60/448795260.db2.gz UHKWLFYTYLLWOV-FZMZJTMJSA-N 1 0 344.375 1.375 20 5 EDBDRO CSC[C@H](CCO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592431179 448832599 /nfs/dbraw/zinc/83/25/99/448832599.db2.gz VNILUKDGQPNEMN-NSHDSACASA-N 1 0 348.446 1.072 20 5 EDBDRO Cc1c(Br)c(=O)n(CC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000574397014 448863704 /nfs/dbraw/zinc/86/37/04/448863704.db2.gz FBLFNMROXAGLFU-SECBINFHSA-N 1 0 330.182 1.827 20 5 EDBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000592552769 448895610 /nfs/dbraw/zinc/89/56/10/448895610.db2.gz RJHPOWVJCRKWCX-HNNXBMFYSA-N 1 0 349.387 1.695 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000520953093 448941051 /nfs/dbraw/zinc/94/10/51/448941051.db2.gz SVBARBXKLHIWLX-OAHLLOKOSA-N 1 0 329.360 1.337 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000574916415 448989537 /nfs/dbraw/zinc/98/95/37/448989537.db2.gz OICHKDRTNMOKPN-STQMWFEESA-N 1 0 339.417 1.387 20 5 EDBDRO CC[C@H](C)NC(=O)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000569595747 449054185 /nfs/dbraw/zinc/05/41/85/449054185.db2.gz UFWSRGVXYKTALI-LBPRGKRZSA-N 1 0 336.392 1.818 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000589930120 449084994 /nfs/dbraw/zinc/08/49/94/449084994.db2.gz STDWPWGCBLZGNA-FZMZJTMJSA-N 1 0 325.390 1.061 20 5 EDBDRO C[N@@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@H](Cc2ccccc2)C1 ZINC000593088652 449128487 /nfs/dbraw/zinc/12/84/87/449128487.db2.gz JVJGNBQSBNPWIQ-MRXNPFEDSA-N 1 0 329.404 1.650 20 5 EDBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1COCC[NH2+]1 ZINC000599918421 449108256 /nfs/dbraw/zinc/10/82/56/449108256.db2.gz PJBBMBWOJHTJCD-LBPRGKRZSA-N 1 0 342.783 1.078 20 5 EDBDRO CC(C)(C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000599939954 449118468 /nfs/dbraw/zinc/11/84/68/449118468.db2.gz KADRAETYFMQNSU-ZIAGYGMSSA-N 1 0 347.415 1.540 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000590278839 449122725 /nfs/dbraw/zinc/12/27/25/449122725.db2.gz VCVZOURCTHHIOT-TZMCWYRMSA-N 1 0 346.387 1.313 20 5 EDBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(Cn3cnnc3)CC2)c1 ZINC000593075070 449123589 /nfs/dbraw/zinc/12/35/89/449123589.db2.gz AXVVIYAHXKIDRN-UHFFFAOYSA-N 1 0 331.376 1.977 20 5 EDBDRO C[C@]12COC[C@@H]1C[N@H+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)C2 ZINC000595762072 449154093 /nfs/dbraw/zinc/15/40/93/449154093.db2.gz ZQNAWHAWUPZKOL-GUYCJALGSA-N 1 0 331.372 1.452 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000593707739 449154283 /nfs/dbraw/zinc/15/42/83/449154283.db2.gz PLPAATXGBCUIJI-LBPRGKRZSA-N 1 0 345.403 1.828 20 5 EDBDRO Cc1nn(CCC(=O)NCCC[N@@H+](C)CC(C)C)c(C)c1[N+](=O)[O-] ZINC000593205068 449169524 /nfs/dbraw/zinc/16/95/24/449169524.db2.gz UZXITGSQRHYADF-UHFFFAOYSA-N 1 0 339.440 1.892 20 5 EDBDRO CCOc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000599989368 449139358 /nfs/dbraw/zinc/13/93/58/449139358.db2.gz YUSUTSZCLYAVTK-ATCWAGBWSA-N 1 0 349.387 1.634 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000590388287 449143876 /nfs/dbraw/zinc/14/38/76/449143876.db2.gz LEDZMTSMIRBHGO-LBPRGKRZSA-N 1 0 348.403 1.624 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595756007 449149177 /nfs/dbraw/zinc/14/91/77/449149177.db2.gz BAFSCCLWLLQUBA-MEDUHNTESA-N 1 0 335.360 1.389 20 5 EDBDRO CN(CCC[NH+](C)C)CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000597990142 449175311 /nfs/dbraw/zinc/17/53/11/449175311.db2.gz OIRBHZOOQPBSOL-UHFFFAOYSA-N 1 0 342.827 1.862 20 5 EDBDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000601879018 449202381 /nfs/dbraw/zinc/20/23/81/449202381.db2.gz FKFYLELMOOFMBV-OAHLLOKOSA-N 1 0 343.387 1.490 20 5 EDBDRO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000595848479 449204573 /nfs/dbraw/zinc/20/45/73/449204573.db2.gz BQXPWSVQJNBRTM-CQSZACIVSA-N 1 0 348.403 1.430 20 5 EDBDRO CCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000598040188 449208666 /nfs/dbraw/zinc/20/86/66/449208666.db2.gz DMCRCLXQERZPMF-AWEZNQCLSA-N 1 0 349.387 1.938 20 5 EDBDRO O=C(N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000601970992 449253448 /nfs/dbraw/zinc/25/34/48/449253448.db2.gz SJCMSOXAKQMLST-KSSFIOAISA-N 1 0 344.415 1.633 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NCC[NH2+]C2CC2)c1 ZINC000593904146 449274607 /nfs/dbraw/zinc/27/46/07/449274607.db2.gz MWUNPGVUKZJORE-UHFFFAOYSA-N 1 0 343.387 1.630 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@@H](C[NH3+])C2CC2)c1 ZINC000593903222 449274412 /nfs/dbraw/zinc/27/44/12/449274412.db2.gz SHAUWQBRIHBFHR-HNNXBMFYSA-N 1 0 343.387 1.615 20 5 EDBDRO O=C(NCCC1CC[NH2+]CC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000593919431 449286820 /nfs/dbraw/zinc/28/68/20/449286820.db2.gz QYUXUBDQKFDCLR-UHFFFAOYSA-N 1 0 344.375 1.295 20 5 EDBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000593925664 449291415 /nfs/dbraw/zinc/29/14/15/449291415.db2.gz PUCMYVIBAXBCCT-KBPBESRZSA-N 1 0 341.371 2.454 20 5 EDBDRO C[C@@H](CCCCO)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611520926 449318411 /nfs/dbraw/zinc/31/84/11/449318411.db2.gz QTSBYZMNAWVJBX-LBPRGKRZSA-N 1 0 345.421 1.014 20 5 EDBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[NH+]1CCN(C)CC1 ZINC000596069942 449347407 /nfs/dbraw/zinc/34/74/07/449347407.db2.gz KPJMBEODFQISFZ-MRXNPFEDSA-N 1 0 349.435 1.378 20 5 EDBDRO CC[NH+]1CCN(CCNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000596073648 449349946 /nfs/dbraw/zinc/34/99/46/449349946.db2.gz OBLPSRSFHKLRQA-UHFFFAOYSA-N 1 0 329.404 2.192 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000598343310 449357876 /nfs/dbraw/zinc/35/78/76/449357876.db2.gz UBWPMZQTVDQFDI-LLVKDONJSA-N 1 0 337.376 1.826 20 5 EDBDRO CNc1ccc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000598452265 449402469 /nfs/dbraw/zinc/40/24/69/449402469.db2.gz IBYIIQCIWCUGQR-CQSZACIVSA-N 1 0 348.403 1.308 20 5 EDBDRO C[N@@H+]1CCN(CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1(C)C ZINC000596221178 449423131 /nfs/dbraw/zinc/42/31/31/449423131.db2.gz AWVFWBUIMDQGMU-UHFFFAOYSA-N 1 0 335.408 1.132 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000594312173 449444900 /nfs/dbraw/zinc/44/49/00/449444900.db2.gz MYRJJGHYRPBNOJ-BJHJDKERSA-N 1 0 334.376 1.298 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2C[C@@H](C)[NH2+][C@@H](CC)C2)cc([N+](=O)[O-])c1 ZINC000598536830 449453157 /nfs/dbraw/zinc/45/31/57/449453157.db2.gz ZALUCSXQGXGEBJ-RISCZKNCSA-N 1 0 349.387 1.984 20 5 EDBDRO CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000600622615 449463967 /nfs/dbraw/zinc/46/39/67/449463967.db2.gz JSZWUEGODSDCQL-FPMFFAJLSA-N 1 0 348.403 1.549 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000598559473 449465953 /nfs/dbraw/zinc/46/59/53/449465953.db2.gz HYDXCDLYFFKLSQ-CYBMUJFWSA-N 1 0 335.408 1.663 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c(C)c1[N+](=O)[O-] ZINC000598611822 449493144 /nfs/dbraw/zinc/49/31/44/449493144.db2.gz PXRVHXIQCDDDQY-QWHCGFSZSA-N 1 0 339.417 1.536 20 5 EDBDRO CC(C)(C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000598562970 449467683 /nfs/dbraw/zinc/46/76/83/449467683.db2.gz XXWMQTYITSUEQJ-CQSZACIVSA-N 1 0 349.435 1.765 20 5 EDBDRO CCc1nn(C)c(N[C@@H](C)CN(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000596361282 449483417 /nfs/dbraw/zinc/48/34/17/449483417.db2.gz RIGLMZSXFXCUSR-LBPRGKRZSA-N 1 0 326.445 1.575 20 5 EDBDRO COC(=O)c1ccnc(N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000598602174 449486989 /nfs/dbraw/zinc/48/69/89/449486989.db2.gz LJEBMCCSSQEBIU-CYBMUJFWSA-N 1 0 348.403 1.945 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598511890 449436118 /nfs/dbraw/zinc/43/61/18/449436118.db2.gz UGOQHNMFCIZKQR-HNNXBMFYSA-N 1 0 343.387 1.490 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598665150 449527075 /nfs/dbraw/zinc/52/70/75/449527075.db2.gz SQTMRILPFLOIJO-NWDGAFQWSA-N 1 0 349.391 1.302 20 5 EDBDRO COc1cc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000598668090 449529879 /nfs/dbraw/zinc/52/98/79/449529879.db2.gz PPSQFNBUOVAFSI-QFYYESIMSA-N 1 0 335.360 1.565 20 5 EDBDRO [NH3+]C[C@@H](NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000598667987 449529902 /nfs/dbraw/zinc/52/99/02/449529902.db2.gz JTSGICNHKFGHMH-CQSZACIVSA-N 1 0 349.391 1.350 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594405589 449496899 /nfs/dbraw/zinc/49/68/99/449496899.db2.gz XYMJEXYKGFRXHA-JMSVASOKSA-N 1 0 348.403 1.170 20 5 EDBDRO Cn1ccnc1[C@@H](NCC1([NH3+])CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000600706048 449507261 /nfs/dbraw/zinc/50/72/61/449507261.db2.gz CGWYWQAAYJFUMI-HNNXBMFYSA-N 1 0 345.403 1.515 20 5 EDBDRO Cc1c([C@H](C)NCc2cn([C@@H]3CC[NH2+]C3)nn2)cccc1[N+](=O)[O-] ZINC000600712708 449510855 /nfs/dbraw/zinc/51/08/55/449510855.db2.gz ZWMDUEYWBKBXBI-GXTWGEPZSA-N 1 0 330.392 1.880 20 5 EDBDRO Cn1[nH]c([C@@H]2CCC[NH2+]2)nc1=NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000596484610 449523845 /nfs/dbraw/zinc/52/38/45/449523845.db2.gz WCCLMUYCCBVMKD-NSHDSACASA-N 1 0 349.326 1.353 20 5 EDBDRO C[NH2+]CCOCCN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000600732377 449523891 /nfs/dbraw/zinc/52/38/91/449523891.db2.gz YLLZFGQGOJDECE-ZDUSSCGKSA-N 1 0 338.408 1.398 20 5 EDBDRO COCC1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000594576854 449581382 /nfs/dbraw/zinc/58/13/82/449581382.db2.gz CBFWVMWBBQMJQF-UHFFFAOYSA-N 1 0 328.390 1.385 20 5 EDBDRO CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000594496864 449557338 /nfs/dbraw/zinc/55/73/38/449557338.db2.gz XXTPODUIRCGYTM-HUUCEWRRSA-N 1 0 333.388 1.809 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598717151 449560751 /nfs/dbraw/zinc/56/07/51/449560751.db2.gz ZSIISRJNESNBJP-LBPRGKRZSA-N 1 0 327.406 1.584 20 5 EDBDRO Cn1cc(C(=O)NC2CC([NH+](C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598716576 449560856 /nfs/dbraw/zinc/56/08/56/449560856.db2.gz NRBAIUADZXRMGZ-UHFFFAOYSA-N 1 0 343.387 1.818 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1C ZINC000598720622 449562091 /nfs/dbraw/zinc/56/20/91/449562091.db2.gz PZUGQVAQTPHBDC-SWLSCSKDSA-N 1 0 339.417 1.714 20 5 EDBDRO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602479678 449623469 /nfs/dbraw/zinc/62/34/69/449623469.db2.gz PJLKLQHZDFGUTQ-CQSZACIVSA-N 1 0 325.413 1.261 20 5 EDBDRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602528158 449651475 /nfs/dbraw/zinc/65/14/75/449651475.db2.gz POOYGAGZUAXBKU-QGZVFWFLSA-N 1 0 348.447 1.670 20 5 EDBDRO C[C@@](O)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(F)(F)F ZINC000602579093 449685437 /nfs/dbraw/zinc/68/54/37/449685437.db2.gz ZNNQEDRLYNKZTK-CYBMUJFWSA-N 1 0 348.325 1.862 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594751689 449667006 /nfs/dbraw/zinc/66/70/06/449667006.db2.gz BDOQVAPUYOQJOJ-NSHDSACASA-N 1 0 328.394 1.000 20 5 EDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602572334 449681680 /nfs/dbraw/zinc/68/16/80/449681680.db2.gz GONKNXKGJPKHQH-IONNQARKSA-N 1 0 328.166 1.838 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@]3(O)CCSC3)CC2)cn1 ZINC000602573555 449682069 /nfs/dbraw/zinc/68/20/69/449682069.db2.gz RSPSRRIWDPZBAR-HNNXBMFYSA-N 1 0 338.433 1.416 20 5 EDBDRO CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C[NH3+])C1 ZINC000598913001 449644230 /nfs/dbraw/zinc/64/42/30/449644230.db2.gz DUIBGWGDSOHACE-JTQLQIEISA-N 1 0 327.772 1.355 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000598916617 449645808 /nfs/dbraw/zinc/64/58/08/449645808.db2.gz GOQDHGGVQJZGIZ-DOMZBBRYSA-N 1 0 346.387 1.524 20 5 EDBDRO C[C@H](CNc1ccnc2ccc([N+](=O)[O-])cc21)C[NH+]1CCOCC1 ZINC000601122507 449702053 /nfs/dbraw/zinc/70/20/53/449702053.db2.gz YDAYTTGWBXUVOY-CYBMUJFWSA-N 1 0 330.388 1.945 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594800207 449711610 /nfs/dbraw/zinc/71/16/10/449711610.db2.gz ZGDOIJJESFXERP-SNVBAGLBSA-N 1 0 328.394 1.141 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000594801823 449712711 /nfs/dbraw/zinc/71/27/11/449712711.db2.gz SYEXYMQZCUJOOV-ZDUSSCGKSA-N 1 0 341.433 1.887 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000599102420 449734200 /nfs/dbraw/zinc/73/42/00/449734200.db2.gz LVYMKGUORBQCOP-CQSZACIVSA-N 1 0 327.406 1.522 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000599102487 449734572 /nfs/dbraw/zinc/73/45/72/449734572.db2.gz OFOSDJPRVXXYBJ-CYBMUJFWSA-N 1 0 327.406 1.522 20 5 EDBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCN1CC[C@H](O)C1 ZINC000602730589 449771571 /nfs/dbraw/zinc/77/15/71/449771571.db2.gz RBPICSLHTCBCOJ-LBPRGKRZSA-N 1 0 333.310 1.770 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000617722353 449775715 /nfs/dbraw/zinc/77/57/15/449775715.db2.gz NIRFNYFZSRTJMH-UKRRQHHQSA-N 1 0 335.404 1.925 20 5 EDBDRO CO[C@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CCOC1 ZINC000594951747 449817985 /nfs/dbraw/zinc/81/79/85/449817985.db2.gz NBPTUOFFCAPZLY-BDJLRTHQSA-N 1 0 338.360 1.507 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)C2(CO)CC2)cc1[N+](=O)[O-] ZINC000594969128 449823883 /nfs/dbraw/zinc/82/38/83/449823883.db2.gz MPHCDNZNWVEGLD-NSHDSACASA-N 1 0 338.360 1.397 20 5 EDBDRO COc1ccc(NC(=O)CN2CCC[C@@H]3C[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC000601333835 449842628 /nfs/dbraw/zinc/84/26/28/449842628.db2.gz GRTGSSCIVVEPAA-IUODEOHRSA-N 1 0 348.403 1.616 20 5 EDBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CN(C)CCO1 ZINC000612616850 449800960 /nfs/dbraw/zinc/80/09/60/449800960.db2.gz OJZHKEBJOVEHDK-ZANVPECISA-N 1 0 326.328 1.575 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@]1(OCCO)CCOC1 ZINC000595077918 449857788 /nfs/dbraw/zinc/85/77/88/449857788.db2.gz LAOYNARBBVZQJS-BLLLJJGKSA-N 1 0 340.376 1.422 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)c([N+](=O)[O-])s1 ZINC000601351739 449865246 /nfs/dbraw/zinc/86/52/46/449865246.db2.gz NPXVVIQEOWSQHT-QWRGUYRKSA-N 1 0 345.446 1.727 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000601357091 449870708 /nfs/dbraw/zinc/87/07/08/449870708.db2.gz LFVFTXCYMKFPCK-WPRPVWTQSA-N 1 0 333.435 1.726 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)nc1 ZINC000595107052 449872373 /nfs/dbraw/zinc/87/23/73/449872373.db2.gz CWHAKRDWFFKVKO-CYBMUJFWSA-N 1 0 340.405 1.143 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(C)C)c(F)cc1[N+](=O)[O-] ZINC000601342900 449852373 /nfs/dbraw/zinc/85/23/73/449852373.db2.gz IQQKKEOCJUMXCT-ZDUSSCGKSA-N 1 0 345.396 1.661 20 5 EDBDRO CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[C@@H]1CCOC1 ZINC000595060739 449852579 /nfs/dbraw/zinc/85/25/79/449852579.db2.gz ORGARXLZHQZJMQ-KBUPBQIOSA-N 1 0 338.408 1.916 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000597300985 449929785 /nfs/dbraw/zinc/92/97/85/449929785.db2.gz LSBOAGDJGVRSSB-CQSZACIVSA-N 1 0 348.403 1.120 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000595222517 449957168 /nfs/dbraw/zinc/95/71/68/449957168.db2.gz LEDGFJVIMCVBNE-CYBMUJFWSA-N 1 0 335.408 1.489 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000595232991 449963518 /nfs/dbraw/zinc/96/35/18/449963518.db2.gz GUWPVHABVDTWBF-UHFFFAOYSA-N 1 0 346.347 1.488 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC2([NH+](C)C)CC2)cc1C ZINC000601448859 449972769 /nfs/dbraw/zinc/97/27/69/449972769.db2.gz QKWAYEQBIDKDRP-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCC12CC(C1)C[NH2+]2 ZINC000595265041 449987074 /nfs/dbraw/zinc/98/70/74/449987074.db2.gz WAWRIAKKFQEZIA-UHFFFAOYSA-N 1 0 338.795 1.842 20 5 EDBDRO CCn1cc(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000609614131 450068506 /nfs/dbraw/zinc/06/85/06/450068506.db2.gz LTEAAGOYJQVHGI-HNNXBMFYSA-N 1 0 334.376 1.683 20 5 EDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601555638 450069958 /nfs/dbraw/zinc/06/99/58/450069958.db2.gz ZZWNTXFBWRCBPM-KBPBESRZSA-N 1 0 333.388 1.964 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000615297025 450051922 /nfs/dbraw/zinc/05/19/22/450051922.db2.gz MKZJTTGHAVRCAP-ZIAGYGMSSA-N 1 0 341.433 1.973 20 5 EDBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC1(C)COC1 ZINC000599571552 450075595 /nfs/dbraw/zinc/07/55/95/450075595.db2.gz LFYBOOUAOWJAPF-UHFFFAOYSA-N 1 0 335.360 1.861 20 5 EDBDRO C[C@H](C(=O)N1CCC[C@](O)(C[NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000597574048 450118604 /nfs/dbraw/zinc/11/86/04/450118604.db2.gz MDHSMRHITBWLTH-GUYCJALGSA-N 1 0 335.404 1.613 20 5 EDBDRO O=C1[C@@H]([N@@H+]2CCC[C@H](CCO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000610213904 450154360 /nfs/dbraw/zinc/15/43/60/450154360.db2.gz ZBKLTTGSXJVCCF-CJNGLKHVSA-N 1 0 333.388 1.795 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000610240428 450158417 /nfs/dbraw/zinc/15/84/17/450158417.db2.gz HQBGISPKBFNAPM-CQSZACIVSA-N 1 0 346.431 1.802 20 5 EDBDRO O=C1N[C@@H]2CCCC[C@H]2C[C@H]1[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595461890 450158613 /nfs/dbraw/zinc/15/86/13/450158613.db2.gz QKHSUJXOOVNXIA-NWANDNLSSA-N 1 0 347.419 1.876 20 5 EDBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C(=O)N1c1cnn(C)c1 ZINC000610272343 450177326 /nfs/dbraw/zinc/17/73/26/450177326.db2.gz OFEIIRICSNQBER-IAQYHMDHSA-N 1 0 329.360 1.612 20 5 EDBDRO Cc1c(Cn2cc(CN3CC[NH+](C)CC3)nn2)cccc1[N+](=O)[O-] ZINC000603195355 450133402 /nfs/dbraw/zinc/13/34/02/450133402.db2.gz IKPAZKRBHMLCTA-UHFFFAOYSA-N 1 0 330.392 1.290 20 5 EDBDRO CC[C@@H]1[C@@H](C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000601776289 450233318 /nfs/dbraw/zinc/23/33/18/450233318.db2.gz IKBPRUIJWLMFGL-ZMSDIMECSA-N 1 0 335.404 1.649 20 5 EDBDRO CN(C(=O)CN1CCC[C@@]2(CC[N@H+](C)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595505015 450193086 /nfs/dbraw/zinc/19/30/86/450193086.db2.gz PHQKHEQRIYGHPO-SFHVURJKSA-N 1 0 346.431 1.975 20 5 EDBDRO C[C@@H]1CN(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000618567897 450247263 /nfs/dbraw/zinc/24/72/63/450247263.db2.gz HCFNHPDRFAQRTC-QLFBSQMISA-N 1 0 337.424 1.585 20 5 EDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCC2CS(=O)(=O)C2)n1 ZINC000618577604 450250253 /nfs/dbraw/zinc/25/02/53/450250253.db2.gz NULIDPDVVXGGJB-OLZOCXBDSA-N 1 0 342.421 1.299 20 5 EDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCC2CS(=O)(=O)C2)n1 ZINC000618577615 450251115 /nfs/dbraw/zinc/25/11/15/450251115.db2.gz NULIDPDVVXGGJB-STQMWFEESA-N 1 0 342.421 1.299 20 5 EDBDRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000619786661 450334772 /nfs/dbraw/zinc/33/47/72/450334772.db2.gz CZBRHKMRNGMGBZ-CQSZACIVSA-N 1 0 343.387 1.960 20 5 EDBDRO Cc1nc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000603421779 450294118 /nfs/dbraw/zinc/29/41/18/450294118.db2.gz CDNQTHIOXPFZPS-OAHLLOKOSA-N 1 0 349.435 1.507 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000615996167 450294912 /nfs/dbraw/zinc/29/49/12/450294912.db2.gz PLKVUNSJAMIMJC-MRXNPFEDSA-N 1 0 348.447 1.957 20 5 EDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H](CO)Cc1ccco1)OCCO2 ZINC000610871156 450362370 /nfs/dbraw/zinc/36/23/70/450362370.db2.gz LWMNGSKORLWQQW-GFCCVEGCSA-N 1 0 348.355 1.900 20 5 EDBDRO Cc1noc(CCC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000577859897 518194205 /nfs/dbraw/zinc/19/42/05/518194205.db2.gz LRGISCSIBUPJDZ-GFCCVEGCSA-N 1 0 336.348 1.248 20 5 EDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000186904357 534457443 /nfs/dbraw/zinc/45/74/43/534457443.db2.gz WAZZUWVPIQRAFA-VIIAAUOXSA-N 1 0 347.415 1.912 20 5 EDBDRO C[NH2+]C1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000237156044 536439448 /nfs/dbraw/zinc/43/94/48/536439448.db2.gz GXLIAVQDZPOQFU-UHFFFAOYSA-N 1 0 329.360 1.605 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000237319432 536465648 /nfs/dbraw/zinc/46/56/48/536465648.db2.gz XCPGQVXRCJMQRJ-SNVBAGLBSA-N 1 0 347.824 1.868 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000174024157 527820771 /nfs/dbraw/zinc/82/07/71/527820771.db2.gz KUVFCWCXBZBRFW-ZDUSSCGKSA-N 1 0 341.433 1.866 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000174024170 527838461 /nfs/dbraw/zinc/83/84/61/527838461.db2.gz KUVFCWCXBZBRFW-CYBMUJFWSA-N 1 0 341.433 1.866 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000186689672 528335293 /nfs/dbraw/zinc/33/52/93/528335293.db2.gz LXUQOXFYZLWCJJ-JQWIXIFHSA-N 1 0 337.376 1.730 20 5 EDBDRO CCN(CCC[NH+](C)C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000190290002 528443357 /nfs/dbraw/zinc/44/33/57/528443357.db2.gz PRZGTEJBZNKDKL-UHFFFAOYSA-N 1 0 335.451 1.838 20 5 EDBDRO CCOc1ccccc1C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174740027 528722824 /nfs/dbraw/zinc/72/28/24/528722824.db2.gz XRKAUCOHRUDGHX-HNNXBMFYSA-N 1 0 334.376 1.683 20 5 EDBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000237055065 535461776 /nfs/dbraw/zinc/46/17/76/535461776.db2.gz AVGPLBHDVSMMKT-UHFFFAOYSA-N 1 0 341.433 1.913 20 5 EDBDRO CC[NH2+]CCNC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000236913082 535466406 /nfs/dbraw/zinc/46/64/06/535466406.db2.gz LTYHARARBGEUBA-UHFFFAOYSA-N 1 0 327.406 1.562 20 5 EDBDRO CC[NH+](CC)CCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000125072705 535540239 /nfs/dbraw/zinc/54/02/39/535540239.db2.gz KTLXLANWPGZHCN-UHFFFAOYSA-N 1 0 329.422 1.832 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000046946518 535728943 /nfs/dbraw/zinc/72/89/43/535728943.db2.gz CQEZDZRJDPAXQU-AWEZNQCLSA-N 1 0 334.420 1.659 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nc(C2([NH3+])CCC2)no1 ZINC000261782065 535809561 /nfs/dbraw/zinc/80/95/61/535809561.db2.gz FKUVTGGWJLCMCC-SECBINFHSA-N 1 0 335.368 1.921 20 5 EDBDRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000332282265 536478378 /nfs/dbraw/zinc/47/83/78/536478378.db2.gz HPZCQVSAUDZSQN-HNNXBMFYSA-N 1 0 346.387 1.020 20 5 EDBDRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000090394465 536824748 /nfs/dbraw/zinc/82/47/48/536824748.db2.gz JXHVLRWUYKEAML-WCQYABFASA-N 1 0 331.376 1.998 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000246121711 536953142 /nfs/dbraw/zinc/95/31/42/536953142.db2.gz ILUPUMHHZFDNAP-HIFRSBDPSA-N 1 0 348.403 1.982 20 5 EDBDRO O=[N+]([O-])c1cn(CN2CC[C@@H]([NH+]3CC=CC3)C2)nc1-c1ccncc1 ZINC000742162222 579437193 /nfs/dbraw/zinc/43/71/93/579437193.db2.gz SVXKWUIMSOVMGW-OAHLLOKOSA-N 1 0 340.387 1.757 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000743980692 579496614 /nfs/dbraw/zinc/49/66/14/579496614.db2.gz GXSWQGZOHZZUFT-GFCCVEGCSA-N 1 0 334.376 1.442 20 5 EDBDRO CC(C)(CO)[NH+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000760204111 580025735 /nfs/dbraw/zinc/02/57/35/580025735.db2.gz NDVSPPNZPHFMLS-YVMONPNESA-N 1 0 333.388 1.523 20 5 EDBDRO C[N@@H+]1CCC[C@H](CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000731024889 578666036 /nfs/dbraw/zinc/66/60/36/578666036.db2.gz KFUISGPYMSUPGZ-GFCCVEGCSA-N 1 0 331.376 1.403 20 5 EDBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000732050221 578688554 /nfs/dbraw/zinc/68/85/54/578688554.db2.gz NTVSHEBXFIEWKX-CQSZACIVSA-N 1 0 347.419 1.145 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000733980195 578793940 /nfs/dbraw/zinc/79/39/40/578793940.db2.gz JFXWQQPYSDIPTG-CYBMUJFWSA-N 1 0 335.360 1.196 20 5 EDBDRO Cc1nn(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749954120 579745159 /nfs/dbraw/zinc/74/51/59/579745159.db2.gz RCSJKXLNVHAMKO-CYBMUJFWSA-N 1 0 330.392 1.774 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccc(-n3ccnc3)nc2)cc1 ZINC000753369754 579878071 /nfs/dbraw/zinc/87/80/71/579878071.db2.gz YCLDSNOBVYEMKT-MRXNPFEDSA-N 1 0 339.355 1.999 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[N@@H+]1C1CC1 ZINC000753707477 579885424 /nfs/dbraw/zinc/88/54/24/579885424.db2.gz PXPRIYASPXLPFU-DGCLKSJQSA-N 1 0 343.387 1.686 20 5 EDBDRO O=C(NCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000764587024 580124211 /nfs/dbraw/zinc/12/42/11/580124211.db2.gz TUHQIALKYPOYTN-UHFFFAOYSA-N 1 0 332.404 1.679 20 5 EDBDRO CS(=O)(=O)CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765754090 580150673 /nfs/dbraw/zinc/15/06/73/580150673.db2.gz MQWUVBOABTUUIW-UHFFFAOYSA-N 1 0 341.433 1.588 20 5 EDBDRO Cc1nn(C[N@H+](C)CCCn2ccnc2)c2ncc([N+](=O)[O-])cc12 ZINC000767760693 580198781 /nfs/dbraw/zinc/19/87/81/580198781.db2.gz ZNSCGBPPNWTWFF-UHFFFAOYSA-N 1 0 329.364 1.824 20 5 EDBDRO COc1cccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000767774242 580199148 /nfs/dbraw/zinc/19/91/48/580199148.db2.gz GDHDEMWLZGKVPZ-NWDGAFQWSA-N 1 0 335.360 1.196 20 5 EDBDRO C[NH+](C)CC1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768883966 580223440 /nfs/dbraw/zinc/22/34/40/580223440.db2.gz PFCFHOJPLDRCAH-UHFFFAOYSA-N 1 0 333.435 1.619 20 5 EDBDRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000770222506 580255961 /nfs/dbraw/zinc/25/59/61/580255961.db2.gz LPVZDBXWBITDCR-ZDUSSCGKSA-N 1 0 332.408 1.680 20 5 EDBDRO CC(C)c1n[nH]c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000771378693 580285365 /nfs/dbraw/zinc/28/53/65/580285365.db2.gz GZUJNVCJZLXFSE-QWRGUYRKSA-N 1 0 337.380 1.034 20 5 EDBDRO C[C@@H]1[C@H](C)N(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000771398499 580285856 /nfs/dbraw/zinc/28/58/56/580285856.db2.gz UIVDWTAHPOSKEM-NEPJUHHUSA-N 1 0 331.376 1.496 20 5 EDBDRO O=C(Cn1cnc([N+](=O)[O-])n1)OCC1CC[NH+](Cc2ccco2)CC1 ZINC000772693550 580318018 /nfs/dbraw/zinc/31/80/18/580318018.db2.gz MWSYUQJQVMNANM-UHFFFAOYSA-N 1 0 349.347 1.235 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOCCS(C)(=O)=O ZINC000773012007 580325140 /nfs/dbraw/zinc/32/51/40/580325140.db2.gz CBJRPKBRYFPCQF-GFCCVEGCSA-N 1 0 330.406 1.615 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000776578568 580421941 /nfs/dbraw/zinc/42/19/41/580421941.db2.gz GKTCFTHPCNSSII-ROUUACIJSA-N 1 0 349.431 1.815 20 5 EDBDRO CC[NH+](CC)CCO[C@@H]1CCN(Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000779865495 580500177 /nfs/dbraw/zinc/50/01/77/580500177.db2.gz PVSGORNSMNASSN-CQSZACIVSA-N 1 0 325.413 1.490 20 5 EDBDRO C[NH+]1CCC(C)(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000780766491 580533363 /nfs/dbraw/zinc/53/33/63/580533363.db2.gz IBIGSHYWWQSLFC-UHFFFAOYSA-N 1 0 345.403 1.793 20 5 EDBDRO CN(C)C(=O)CC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000781347230 580547227 /nfs/dbraw/zinc/54/72/27/580547227.db2.gz QKGOEIIQQYXDOG-INIZCTEOSA-N 1 0 335.404 1.819 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781951642 580561180 /nfs/dbraw/zinc/56/11/80/580561180.db2.gz ZQUVLLRXKIRXNC-BDJLRTHQSA-N 1 0 344.371 1.441 20 5 EDBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(=O)NC ZINC000782481978 580575675 /nfs/dbraw/zinc/57/56/75/580575675.db2.gz HPNPDGDVVXWUHU-UHFFFAOYSA-N 1 0 326.328 1.130 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NCC[N@H+]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000783919541 580608313 /nfs/dbraw/zinc/60/83/13/580608313.db2.gz RDMILDMZIZOKQU-ZDUSSCGKSA-N 1 0 348.403 1.234 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000786974587 580685661 /nfs/dbraw/zinc/68/56/61/580685661.db2.gz LPPKTWLXGVSXHD-AWEZNQCLSA-N 1 0 348.403 1.550 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000800606723 581055610 /nfs/dbraw/zinc/05/56/10/581055610.db2.gz FFOHRAYNDFKORA-JTQLQIEISA-N 1 0 338.339 1.049 20 5 EDBDRO Cc1c(CNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)cccc1[N+](=O)[O-] ZINC000891850057 590653295 /nfs/dbraw/zinc/65/32/95/590653295.db2.gz XRGAFJROKFFNOK-GFCCVEGCSA-N 1 0 342.346 1.947 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888977760 591051210 /nfs/dbraw/zinc/05/12/10/591051210.db2.gz NBSQEBYIKAHTBW-UHFFFAOYSA-N 1 0 334.420 1.531 20 5 EDBDRO O=C1OC[C@]2(C[NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])COCCN12 ZINC000895825748 591281773 /nfs/dbraw/zinc/28/17/73/591281773.db2.gz LPNFWHYEAWGKOO-AWEZNQCLSA-N 1 0 341.751 1.559 20 5 EDBDRO COc1cc(C[NH2+]C[C@@H]2COCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000894875565 591453130 /nfs/dbraw/zinc/45/31/30/591453130.db2.gz GQPQBKLXVCBKOZ-SNVBAGLBSA-N 1 0 348.302 1.710 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000896431053 591459321 /nfs/dbraw/zinc/45/93/21/591459321.db2.gz JYHCSJFTUGGBFN-GXTWGEPZSA-N 1 0 347.419 1.875 20 5 EDBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000895268556 591690710 /nfs/dbraw/zinc/69/07/10/591690710.db2.gz OPSQWRVULXJVSM-NSHDSACASA-N 1 0 330.348 1.074 20 5 EDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H]4[C@H]3CCC[N@H+]4CCO)c21 ZINC000897221634 591776615 /nfs/dbraw/zinc/77/66/15/591776615.db2.gz NYHXVZUEJMAKSQ-UONOGXRCSA-N 1 0 343.387 1.573 20 5 EDBDRO Cc1cc(N2CCC[C@]([NH3+])(CO)C2)c(Br)cc1[N+](=O)[O-] ZINC000900374727 592000530 /nfs/dbraw/zinc/00/05/30/592000530.db2.gz MGEKEWGCOOJPDA-CYBMUJFWSA-N 1 0 344.209 1.956 20 5 EDBDRO C[C@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000900380479 592002030 /nfs/dbraw/zinc/00/20/30/592002030.db2.gz MGWIMIAWSZATQG-GOEBONIOSA-N 1 0 348.447 1.848 20 5 EDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000903590296 592234653 /nfs/dbraw/zinc/23/46/53/592234653.db2.gz SWSZSOYCVVQWKO-UHFFFAOYSA-N 1 0 329.422 1.830 20 5 EDBDRO C[NH+](C)C1CC(NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000908009990 592260961 /nfs/dbraw/zinc/26/09/61/592260961.db2.gz PQYFBONXDIMECF-UHFFFAOYSA-N 1 0 335.360 1.579 20 5 EDBDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000903796698 592325958 /nfs/dbraw/zinc/32/59/58/592325958.db2.gz BNQIAPJMWKRFIA-KSSFIOAISA-N 1 0 344.415 1.687 20 5 EDBDRO C[C@H](NC(=O)c1ccnn1CC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000901328024 592330307 /nfs/dbraw/zinc/33/03/07/592330307.db2.gz ANBZUNRNJAMFMT-LBPRGKRZSA-N 1 0 331.376 1.844 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CCN1C ZINC000906813969 592338940 /nfs/dbraw/zinc/33/89/40/592338940.db2.gz GHPJTHCJXKHDGZ-LLVKDONJSA-N 1 0 335.360 1.532 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)c1 ZINC000905470243 592544255 /nfs/dbraw/zinc/54/42/55/592544255.db2.gz CCYJSNSECSHPTP-DLBZAZTESA-N 1 0 334.347 1.961 20 5 EDBDRO CCc1n[nH]c(C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000908573769 592544833 /nfs/dbraw/zinc/54/48/33/592544833.db2.gz PQGLCVQRUUJDBS-UHFFFAOYSA-N 1 0 335.408 1.971 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCN2C2CCOCC2)c1 ZINC000905618219 592595372 /nfs/dbraw/zinc/59/53/72/592595372.db2.gz HLFIAXOZSSRVBN-IAGOWNOFSA-N 1 0 335.404 1.471 20 5 EDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC[NH2+]CCC23CCC3)s1 ZINC000905659610 592599633 /nfs/dbraw/zinc/59/96/33/592599633.db2.gz VLIMBQRVXYJIHW-UHFFFAOYSA-N 1 0 345.446 1.782 20 5 EDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000907446717 592659779 /nfs/dbraw/zinc/65/97/79/592659779.db2.gz BURPKAILWAHLME-UHFFFAOYSA-N 1 0 326.784 1.997 20 5 EDBDRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000912595373 593107004 /nfs/dbraw/zinc/10/70/04/593107004.db2.gz BFRQGGIVPPICTR-UHFFFAOYSA-N 1 0 341.433 1.869 20 5 EDBDRO O=C(OCCC1OCCO1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000838102910 593125129 /nfs/dbraw/zinc/12/51/29/593125129.db2.gz ZXMKYXQNPMOJPI-UHFFFAOYSA-N 1 0 333.300 1.700 20 5 EDBDRO CC[N@H+](C[C@H]1CCOC1)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839997571 593320797 /nfs/dbraw/zinc/32/07/97/593320797.db2.gz FGXIOHGIRAQZES-CXAGYDPISA-N 1 0 349.387 1.848 20 5 EDBDRO CC(C)Oc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000839770127 593377196 /nfs/dbraw/zinc/37/71/96/593377196.db2.gz JSRRQMJYEKLONQ-OAGGEKHMSA-N 1 0 335.404 1.858 20 5 EDBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000816681698 593540147 /nfs/dbraw/zinc/54/01/47/593540147.db2.gz DUBRZOYYTYAXNQ-LBPRGKRZSA-N 1 0 348.403 1.502 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000816953588 593563229 /nfs/dbraw/zinc/56/32/29/593563229.db2.gz JYCOWTZEHXAEKE-PRHODGIISA-N 1 0 333.373 1.376 20 5 EDBDRO COc1ccc(CC(=O)NCc2ccc(CC[NH3+])cc2)cc1[N+](=O)[O-] ZINC000818533277 593703675 /nfs/dbraw/zinc/70/36/75/593703675.db2.gz ISWSTGDKLLTFQL-UHFFFAOYSA-N 1 0 343.383 1.964 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000818534607 593703760 /nfs/dbraw/zinc/70/37/60/593703760.db2.gz IYEXNXAQBGZHGR-UHFFFAOYSA-N 1 0 331.376 1.307 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2nnc3n2CCCCC3)c1 ZINC000818946335 593729528 /nfs/dbraw/zinc/72/95/28/593729528.db2.gz KMQXYLRHDLMFAB-OAHLLOKOSA-N 1 0 345.403 1.778 20 5 EDBDRO CN(C)C(=O)C1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000819070138 593737298 /nfs/dbraw/zinc/73/72/98/593737298.db2.gz SAGBIWILJLIREX-OAHLLOKOSA-N 1 0 335.404 1.866 20 5 EDBDRO CC1(C)OCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CO1 ZINC000819225921 593745501 /nfs/dbraw/zinc/74/55/01/593745501.db2.gz JOPSQDPSSKLZQK-ZDUSSCGKSA-N 1 0 326.349 1.076 20 5 EDBDRO CC1(C)OCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CO1 ZINC000819226482 593745534 /nfs/dbraw/zinc/74/55/34/593745534.db2.gz REPOXKRNMQGQCL-LBPRGKRZSA-N 1 0 326.349 1.076 20 5 EDBDRO CCS(=O)(=O)CC[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000819316816 593750503 /nfs/dbraw/zinc/75/05/03/593750503.db2.gz LBTCTDJDKXZAPM-UHFFFAOYSA-N 1 0 325.390 1.643 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000820459445 593820147 /nfs/dbraw/zinc/82/01/47/593820147.db2.gz SACZXFXPOWSPES-CABCVRRESA-N 1 0 334.376 1.112 20 5 EDBDRO C[NH+]1CCC(N(CCO)C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000824157858 593940936 /nfs/dbraw/zinc/94/09/36/593940936.db2.gz KHCAGWJPXZRHDL-SJORKVTESA-N 1 0 347.415 1.613 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCN(C)CCC[NH+](C)C ZINC000824438738 594012032 /nfs/dbraw/zinc/01/20/32/594012032.db2.gz YRYXPRKTOJHIDM-UHFFFAOYSA-N 1 0 336.436 1.825 20 5 EDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000823619762 594222027 /nfs/dbraw/zinc/22/20/27/594222027.db2.gz APZOCEREYPFMJY-VIFPVBQESA-N 1 0 330.352 1.066 20 5 EDBDRO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000825763676 594240747 /nfs/dbraw/zinc/24/07/47/594240747.db2.gz ATQFHOZWYWIWLO-JKSUJKDBSA-N 1 0 333.388 1.715 20 5 EDBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000827714020 594263971 /nfs/dbraw/zinc/26/39/71/594263971.db2.gz RJUURUGTDBUHJS-WBVHZDCISA-N 1 0 347.415 1.819 20 5 EDBDRO COC1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000829794875 594266480 /nfs/dbraw/zinc/26/64/80/594266480.db2.gz BFIYPBWMZUPLTH-UHFFFAOYSA-N 1 0 325.340 1.575 20 5 EDBDRO O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1CCC1CC[NH2+]CC1 ZINC000830413685 594391574 /nfs/dbraw/zinc/39/15/74/594391574.db2.gz BTVKTABTOXDWNG-UHFFFAOYSA-N 1 0 339.373 1.129 20 5 EDBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831416061 594626772 /nfs/dbraw/zinc/62/67/72/594626772.db2.gz KHFOJWYASHXERO-LSDHHAIUSA-N 1 0 335.404 1.865 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000827170903 594650329 /nfs/dbraw/zinc/65/03/29/594650329.db2.gz YFWMVSKXGHRFQE-RDBSUJKOSA-N 1 0 327.425 1.532 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000831683307 594692381 /nfs/dbraw/zinc/69/23/81/594692381.db2.gz RPRFIZFDNGBDHS-GFCCVEGCSA-N 1 0 338.795 1.368 20 5 EDBDRO CCO[C@@H](CNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000831713155 594695228 /nfs/dbraw/zinc/69/52/28/594695228.db2.gz JCLVXDNSPPPFHL-JTQLQIEISA-N 1 0 343.355 1.439 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)n1 ZINC000832048662 594722060 /nfs/dbraw/zinc/72/20/60/594722060.db2.gz WWVLIKWDZJOYKP-KGLIPLIRSA-N 1 0 336.392 1.799 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000832297078 594740868 /nfs/dbraw/zinc/74/08/68/594740868.db2.gz CDAWBHBPVJTFPP-CYZMBNFOSA-N 1 0 334.294 1.873 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000832297080 594740952 /nfs/dbraw/zinc/74/09/52/594740952.db2.gz CDAWBHBPVJTFPP-RAIGVLPGSA-N 1 0 334.294 1.873 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000841224908 594871822 /nfs/dbraw/zinc/87/18/22/594871822.db2.gz OROLHWYGCJNGOH-UWVGGRQHSA-N 1 0 338.339 1.367 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C[C@@H]21 ZINC000836849859 595004335 /nfs/dbraw/zinc/00/43/35/595004335.db2.gz RBWWIJYBFDOIRV-DYVFJYSZSA-N 1 0 344.415 1.971 20 5 EDBDRO COc1ccc([C@@H]2[C@@H](COC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[N@@H+]2C)cc1 ZINC000842305693 595072971 /nfs/dbraw/zinc/07/29/71/595072971.db2.gz AGVYEJNWVZPWQG-DTZQCDIJSA-N 1 0 334.372 1.896 20 5 EDBDRO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000837304655 595081674 /nfs/dbraw/zinc/08/16/74/595081674.db2.gz HRCWQIYGOHZVSH-WCBMZHEXSA-N 1 0 333.373 1.281 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000843349441 595082712 /nfs/dbraw/zinc/08/27/12/595082712.db2.gz ZOBSQCCEPHJLAT-JTQLQIEISA-N 1 0 326.784 1.728 20 5 EDBDRO CCN(OC)C(=O)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000843431051 595109206 /nfs/dbraw/zinc/10/92/06/595109206.db2.gz VZYOVZKPJYQQES-NSHDSACASA-N 1 0 338.364 1.311 20 5 EDBDRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000842483320 595119424 /nfs/dbraw/zinc/11/94/24/595119424.db2.gz ITFJMKPIVMTQRK-AWEZNQCLSA-N 1 0 341.433 1.445 20 5 EDBDRO CC(C)[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[NH2+]1 ZINC000843468475 595121577 /nfs/dbraw/zinc/12/15/77/595121577.db2.gz UANHIJXSJSWTMK-CYBMUJFWSA-N 1 0 325.340 1.569 20 5 EDBDRO CC[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1[NH3+] ZINC000843470894 595122188 /nfs/dbraw/zinc/12/21/88/595122188.db2.gz GNFTYJHJPMKLFF-GWCFXTLKSA-N 1 0 325.340 1.699 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000834564282 595163760 /nfs/dbraw/zinc/16/37/60/595163760.db2.gz IZLAYDCYVVCQQT-HNNXBMFYSA-N 1 0 325.340 1.263 20 5 EDBDRO CC[NH2+]CCCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000842690944 595171504 /nfs/dbraw/zinc/17/15/04/595171504.db2.gz HIMCKOXMGKCEED-UHFFFAOYSA-N 1 0 335.813 1.835 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC(C)(C)[NH3+])c(C)c1[N+](=O)[O-] ZINC000842731399 595183327 /nfs/dbraw/zinc/18/33/27/595183327.db2.gz URYWEPUSFWRPGI-UHFFFAOYSA-N 1 0 346.365 1.135 20 5 EDBDRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000842795820 595202190 /nfs/dbraw/zinc/20/21/90/595202190.db2.gz ZDOOCLBQZVASNA-UHFFFAOYSA-N 1 0 345.808 1.796 20 5 EDBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000834777516 595209434 /nfs/dbraw/zinc/20/94/34/595209434.db2.gz DSRABORLKKDFEH-JOCQHMNTSA-N 1 0 345.403 1.826 20 5 EDBDRO O=C1N=NCN1C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000846882014 595331913 /nfs/dbraw/zinc/33/19/13/595331913.db2.gz IUYOWUKAWOVSFX-AWEZNQCLSA-N 1 0 333.348 1.262 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000847183719 595373654 /nfs/dbraw/zinc/37/36/54/595373654.db2.gz WSROZFMMEBLOAR-PHIMTYICSA-N 1 0 325.340 1.569 20 5 EDBDRO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CC[NH+](C2CC2)CC1 ZINC000848476616 595388628 /nfs/dbraw/zinc/38/86/28/595388628.db2.gz CXBKHZLECWAJOQ-QGZVFWFLSA-N 1 0 344.415 1.648 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000849378755 595516640 /nfs/dbraw/zinc/51/66/40/595516640.db2.gz HHBYRZVTWVOHFZ-GHMZBOCLSA-N 1 0 328.394 1.141 20 5 EDBDRO C[C@H]1CN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000857764781 595599632 /nfs/dbraw/zinc/59/96/32/595599632.db2.gz AKBFCBKLUZJWEP-CABZTGNLSA-N 1 0 329.303 1.762 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857765440 595600228 /nfs/dbraw/zinc/60/02/28/595600228.db2.gz GRMYRAYMJNOFPL-NXEZZACHSA-N 1 0 329.303 1.810 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000852918686 595614882 /nfs/dbraw/zinc/61/48/82/595614882.db2.gz HVENBPHBYLPOIL-NXEZZACHSA-N 1 0 326.284 1.323 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000855162420 595617388 /nfs/dbraw/zinc/61/73/88/595617388.db2.gz JJFVPXJDLQMAJA-WFASDCNBSA-N 1 0 335.404 1.865 20 5 EDBDRO CCOCC[NH+]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000111164602 595706986 /nfs/dbraw/zinc/70/69/86/595706986.db2.gz PMOJLSYYFCYSMF-UHFFFAOYSA-N 1 0 333.392 1.556 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853499530 595770412 /nfs/dbraw/zinc/77/04/12/595770412.db2.gz SEBLFJMHHMTFEK-CYBMUJFWSA-N 1 0 330.392 1.694 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc([N+](=O)[O-])c1F ZINC000858616940 595845783 /nfs/dbraw/zinc/84/57/83/595845783.db2.gz WGWWCRJQOVYYPZ-CYBMUJFWSA-N 1 0 345.396 1.661 20 5 EDBDRO COc1cccc(C(=O)OC[C@]2(C)C[C@@H](OC)C[N@@H+]2C)c1[N+](=O)[O-] ZINC000861354221 595960347 /nfs/dbraw/zinc/96/03/47/595960347.db2.gz XZXUUFNCTDSZBI-BZNIZROVSA-N 1 0 338.360 1.869 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)CC3(O)CCC3)CC2)cc1 ZINC000859054640 595963675 /nfs/dbraw/zinc/96/36/75/595963675.db2.gz BGVKRDAXRVRIBN-MRXNPFEDSA-N 1 0 335.404 1.383 20 5 EDBDRO [NH3+]CC1(NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCOCC1 ZINC000859686730 596167066 /nfs/dbraw/zinc/16/70/66/596167066.db2.gz VNLOVYQAIYJQTN-UHFFFAOYSA-N 1 0 328.756 1.878 20 5 EDBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc([N+](=O)[O-])ccc1F ZINC000854743751 596184436 /nfs/dbraw/zinc/18/44/36/596184436.db2.gz OWSQIOVPVUMHQX-LBPRGKRZSA-N 1 0 325.340 1.311 20 5 EDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000870895136 596394295 /nfs/dbraw/zinc/39/42/95/596394295.db2.gz WNJGXTKFNZBWQK-KSSFIOAISA-N 1 0 348.447 1.959 20 5 EDBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000863316333 596548641 /nfs/dbraw/zinc/54/86/41/596548641.db2.gz MAGJTQNMLHRGPW-CQSZACIVSA-N 1 0 329.356 1.544 20 5 EDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000867974828 596641022 /nfs/dbraw/zinc/64/10/22/596641022.db2.gz WOOPLQGJMPNDJA-FDQGKXFDSA-N 1 0 346.431 1.711 20 5 EDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1[C@H]3C[C@H]4CO[C@H]1[C@H]4C3)OCCO2 ZINC000865692629 596652207 /nfs/dbraw/zinc/65/22/07/596652207.db2.gz MHAZDBZYZXRHAU-PXFDNMLUSA-N 1 0 332.356 1.879 20 5 EDBDRO COCCC1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000868042494 596666258 /nfs/dbraw/zinc/66/62/58/596666258.db2.gz RKLFTDHOSYXDFF-UHFFFAOYSA-N 1 0 325.340 1.622 20 5 EDBDRO C[C@@]1([NH3+])CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000868079889 596678477 /nfs/dbraw/zinc/67/84/77/596678477.db2.gz ZUGXIOJADRWSIC-GFCCVEGCSA-N 1 0 328.166 1.921 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000868233629 596738607 /nfs/dbraw/zinc/73/86/07/596738607.db2.gz XRRUDYVRFAZICP-CJNGLKHVSA-N 1 0 348.403 1.709 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CC[C@H]21 ZINC000866205727 596827108 /nfs/dbraw/zinc/82/71/08/596827108.db2.gz GZLQJAWHKLZCSQ-GXFFZTMASA-N 1 0 329.360 1.774 20 5 EDBDRO CN1CC[NH+](C2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000866211232 596829372 /nfs/dbraw/zinc/82/93/72/596829372.db2.gz CLZRMRBFBCLTSR-UHFFFAOYSA-N 1 0 339.827 1.859 20 5 EDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000866384515 596872261 /nfs/dbraw/zinc/87/22/61/596872261.db2.gz ZFMIXUVEFYYATM-MFKMUULPSA-N 1 0 345.396 1.288 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)ccc1[N+](=O)[O-] ZINC000874366392 597038419 /nfs/dbraw/zinc/03/84/19/597038419.db2.gz HSHYVFQDGHSQFW-LSDHHAIUSA-N 1 0 346.387 1.537 20 5 EDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000874847501 597199312 /nfs/dbraw/zinc/19/93/12/597199312.db2.gz PEAHWWZTFQHEAM-STQMWFEESA-N 1 0 347.371 1.675 20 5 EDBDRO O=C(N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876551101 597236638 /nfs/dbraw/zinc/23/66/38/597236638.db2.gz KELJNXZLRRRDST-AEFFLSMTSA-N 1 0 344.415 1.776 20 5 EDBDRO CC(C)[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000876908049 597380850 /nfs/dbraw/zinc/38/08/50/597380850.db2.gz GUSVCYONWQTBQC-ZBCRRDGASA-N 1 0 337.424 1.441 20 5 EDBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877284943 597486424 /nfs/dbraw/zinc/48/64/24/597486424.db2.gz XCYAAWOGPMTRDG-ZIAGYGMSSA-N 1 0 341.371 1.747 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCc4ncnn43)CC2)cc1 ZINC000877914062 597563785 /nfs/dbraw/zinc/56/37/85/597563785.db2.gz ZDNWXKFVMWTDEZ-OAHLLOKOSA-N 1 0 328.376 1.496 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000878484323 597610710 /nfs/dbraw/zinc/61/07/10/597610710.db2.gz NRAZYEHCVVPJJV-UHFFFAOYSA-N 1 0 348.382 1.846 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879580268 597642009 /nfs/dbraw/zinc/64/20/09/597642009.db2.gz GNANREPEAALKPB-ILXRZTDVSA-N 1 0 335.404 1.361 20 5 EDBDRO CC(C)(O)[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000879962288 597785273 /nfs/dbraw/zinc/78/52/73/597785273.db2.gz LWXXHGIXULABST-CQSZACIVSA-N 1 0 347.415 1.967 20 5 EDBDRO NC(=O)[C@H](F)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000879046728 597799447 /nfs/dbraw/zinc/79/94/47/597799447.db2.gz ACXXDSGDSNDXIR-CQSZACIVSA-N 1 0 325.340 1.509 20 5 EDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000880121856 597847044 /nfs/dbraw/zinc/84/70/44/597847044.db2.gz FHEDMLRGTGMAPX-YPMHNXCESA-N 1 0 349.387 1.921 20 5 EDBDRO COc1ccc([C@H](O)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000916967798 696864422 /nfs/dbraw/zinc/86/44/22/696864422.db2.gz WZKIUHDVFKDORO-DLBZAZTESA-N 1 0 332.356 1.960 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC([NH+](C)C)CC2)cc([N+](=O)[O-])c1F ZINC000154246963 696872228 /nfs/dbraw/zinc/87/22/28/696872228.db2.gz AMERRLBSIHBAAZ-UHFFFAOYSA-N 1 0 345.396 1.757 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000917292369 696994493 /nfs/dbraw/zinc/99/44/93/696994493.db2.gz KJVFOPOEBWTSJY-KBPBESRZSA-N 1 0 343.387 1.688 20 5 EDBDRO C[C@H](CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[NH+]1CCCCC1 ZINC000917839819 697086019 /nfs/dbraw/zinc/08/60/19/697086019.db2.gz BMPKDLGUGQOKRZ-CYBMUJFWSA-N 1 0 345.403 1.935 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000918464480 697169143 /nfs/dbraw/zinc/16/91/43/697169143.db2.gz AHBBVGNQFWZQBK-CYBMUJFWSA-N 1 0 348.403 1.832 20 5 EDBDRO CC1([NH2+]Cc2nnc(C3CC3)o2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000940107705 700219749 /nfs/dbraw/zinc/21/97/49/700219749.db2.gz PNUDAJDGIGMNHF-VXGBXAGGSA-N 1 0 349.391 1.083 20 5 EDBDRO C[NH+]1CCC(C(=O)NCC2CN(Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001031947621 701503233 /nfs/dbraw/zinc/50/32/33/701503233.db2.gz JCKMWZFJURSXHV-UHFFFAOYSA-N 1 0 346.431 1.485 20 5 EDBDRO Cc1conc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589395 704158737 /nfs/dbraw/zinc/15/87/37/704158737.db2.gz WZSSAKJZDFHEPH-HLPPOEQASA-N 1 0 348.403 1.319 20 5 EDBDRO COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1[N+](=O)[O-] ZINC000922850766 704437877 /nfs/dbraw/zinc/43/78/77/704437877.db2.gz CYARXTNHKSOXMU-YHWZYXNKSA-N 1 0 340.401 1.801 20 5 EDBDRO CNC(=O)c1ccc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420263624 290627589 /nfs/dbraw/zinc/62/75/89/290627589.db2.gz CFIUOMCGRXYCST-KGLIPLIRSA-N 1 0 332.404 1.780 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c([N+](=O)[O-])cc1OC ZINC000174696475 231282212 /nfs/dbraw/zinc/28/22/12/231282212.db2.gz DNTPOJWIHDAVBS-NWDGAFQWSA-N 1 0 349.387 1.921 20 5 EDBDRO COc1ccc(CSCC(=O)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000126018516 222640321 /nfs/dbraw/zinc/64/03/21/222640321.db2.gz GRRVTKYNAAVZDM-NSHDSACASA-N 1 0 325.390 1.315 20 5 EDBDRO Cc1nn(CCC(=O)N(CC[NH+](C)C)CC(C)C)c(C)c1[N+](=O)[O-] ZINC000102488438 219206938 /nfs/dbraw/zinc/20/69/38/219206938.db2.gz OGEFGRFZIWWDGT-UHFFFAOYSA-N 1 0 339.440 1.844 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000067394026 215139716 /nfs/dbraw/zinc/13/97/16/215139716.db2.gz DHLOYXASFICLLF-ZDUSSCGKSA-N 1 0 348.403 1.690 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000067961022 215260565 /nfs/dbraw/zinc/26/05/65/215260565.db2.gz QUAOTGWRNOYMLR-CQSZACIVSA-N 1 0 334.376 1.572 20 5 EDBDRO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000041604108 213457366 /nfs/dbraw/zinc/45/73/66/213457366.db2.gz GZWXMXJTROXUAN-LBPRGKRZSA-N 1 0 336.392 1.688 20 5 EDBDRO CC1CC[NH+](CCNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000068279021 215296067 /nfs/dbraw/zinc/29/60/67/215296067.db2.gz MUGVXXQQIAAFBB-UHFFFAOYSA-N 1 0 349.387 1.634 20 5 EDBDRO COCC[N@H+](C)C[C@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000562478459 306299749 /nfs/dbraw/zinc/29/97/49/306299749.db2.gz HNJWCJDCYWGNJZ-UKRRQHHQSA-N 1 0 325.409 1.493 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000104496641 219390247 /nfs/dbraw/zinc/39/02/47/219390247.db2.gz TZIYHKMICCXOOL-OLZOCXBDSA-N 1 0 348.403 1.123 20 5 EDBDRO [NH3+]Cc1ccc2c(c1)CCCN2S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000563119478 306319195 /nfs/dbraw/zinc/31/91/95/306319195.db2.gz AJAQTPAVODIHCW-UHFFFAOYSA-N 1 0 348.384 1.590 20 5 EDBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261941248 283077288 /nfs/dbraw/zinc/07/72/88/283077288.db2.gz USMWJKFUWBIBQL-UHFFFAOYSA-N 1 0 345.396 1.887 20 5 EDBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000185432823 235666131 /nfs/dbraw/zinc/66/61/31/235666131.db2.gz YGSVZSWKBQNOKV-CYBMUJFWSA-N 1 0 336.392 1.137 20 5 EDBDRO C[C@H]1CCC[N@@H+]1C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090564483 138279567 /nfs/dbraw/zinc/27/95/67/138279567.db2.gz VTWBYCUOUOONDH-AWEZNQCLSA-N 1 0 334.420 1.705 20 5 EDBDRO Cc1sc(S(=O)(=O)N(C)CCCn2ccnc2)cc1[N+](=O)[O-] ZINC000125669494 138335466 /nfs/dbraw/zinc/33/54/66/138335466.db2.gz GYSHJCLIMHYESC-UHFFFAOYSA-N 1 0 344.418 1.872 20 5 EDBDRO COC(=O)c1cccc(Oc2ncnc3c2C[N@H+](C)CC3)c1[N+](=O)[O-] ZINC000413553979 304066208 /nfs/dbraw/zinc/06/62/08/304066208.db2.gz MRBZTJZPDCLXOG-UHFFFAOYSA-N 1 0 344.327 1.952 20 5 EDBDRO Cc1cc(C(=O)NCCN2CCC([NH+](C)C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000174995305 138690315 /nfs/dbraw/zinc/69/03/15/138690315.db2.gz GIVBLYNEVJDRIR-UHFFFAOYSA-N 1 0 349.435 1.241 20 5 EDBDRO Cc1c(NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000414710191 304131307 /nfs/dbraw/zinc/13/13/07/304131307.db2.gz RPFDCRQTRJEAJB-ZDUSSCGKSA-N 1 0 333.392 1.415 20 5 EDBDRO C[S@](=O)C1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000442810045 291451635 /nfs/dbraw/zinc/45/16/35/291451635.db2.gz MOHKKNOHLUOAOW-DMDKVIGKSA-N 1 0 326.422 1.776 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC2=CC[NH2+]CC2)c2ncccc12 ZINC000193383423 138968005 /nfs/dbraw/zinc/96/80/05/138968005.db2.gz FWCOTUMRDHZACN-UHFFFAOYSA-N 1 0 348.384 1.341 20 5 EDBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000236748186 139030317 /nfs/dbraw/zinc/03/03/17/139030317.db2.gz GYBFUJNIVLMNHI-SNVBAGLBSA-N 1 0 331.394 1.399 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000236983193 139037119 /nfs/dbraw/zinc/03/71/19/139037119.db2.gz DESJXCRJUQXZNT-GFCCVEGCSA-N 1 0 341.433 1.825 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000237122746 139041320 /nfs/dbraw/zinc/04/13/20/139041320.db2.gz QWQAXQKNYRFNTH-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000237243140 139045627 /nfs/dbraw/zinc/04/56/27/139045627.db2.gz DDQDIGXZZVLKIA-SSDOTTSWSA-N 1 0 331.275 1.378 20 5 EDBDRO COc1cc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000237229322 139045032 /nfs/dbraw/zinc/04/50/32/139045032.db2.gz HTWYOOLBNNZVHT-NSHDSACASA-N 1 0 343.405 1.271 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000237969654 139065301 /nfs/dbraw/zinc/06/53/01/139065301.db2.gz YEWUHWREMVYGQH-LBPRGKRZSA-N 1 0 327.406 1.404 20 5 EDBDRO O=C([C@H]1CC12CC[NH2+]CC2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237993168 284544737 /nfs/dbraw/zinc/54/47/37/284544737.db2.gz ZGMOBWYAFWPYEP-CQSZACIVSA-N 1 0 344.415 1.633 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000247257252 139142581 /nfs/dbraw/zinc/14/25/81/139142581.db2.gz DWUKXPLNGWNKPR-IINYFYTJSA-N 1 0 331.376 1.883 20 5 EDBDRO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000261641234 139213632 /nfs/dbraw/zinc/21/36/32/139213632.db2.gz WZIXMCFHCOMJLR-HQJQHLMTSA-N 1 0 328.166 1.919 20 5 EDBDRO C[C@@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000261684835 139217370 /nfs/dbraw/zinc/21/73/70/139217370.db2.gz DNCGHOYFWBRIGL-YPMHNXCESA-N 1 0 344.375 1.375 20 5 EDBDRO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000261686584 139217492 /nfs/dbraw/zinc/21/74/92/139217492.db2.gz NGEHTFOXTZBTCQ-CKEIUWERSA-N 1 0 333.388 1.744 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000261715734 139219871 /nfs/dbraw/zinc/21/98/71/139219871.db2.gz LNHSESAYHHZDRN-OAHLLOKOSA-N 1 0 339.417 1.748 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261806116 139227655 /nfs/dbraw/zinc/22/76/55/139227655.db2.gz FYKCBDVJQUQACC-AVGNSLFASA-N 1 0 339.417 1.651 20 5 EDBDRO [NH3+]CC[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000416015913 251047543 /nfs/dbraw/zinc/04/75/43/251047543.db2.gz WLIUBOZPJZVYFK-NSHDSACASA-N 1 0 334.298 1.716 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000262443427 139279334 /nfs/dbraw/zinc/27/93/34/139279334.db2.gz HADXCDIALUHJLB-VHSXEESVSA-N 1 0 329.378 1.022 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1C[NH2+]CCC1(F)F ZINC000417773214 251264721 /nfs/dbraw/zinc/26/47/21/251264721.db2.gz WTVRTZPUQINPQQ-LBPRGKRZSA-N 1 0 328.319 1.434 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000418080911 251320342 /nfs/dbraw/zinc/32/03/42/251320342.db2.gz DYHSIIOGDKYSQP-NSHDSACASA-N 1 0 346.391 1.612 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000262522256 139284052 /nfs/dbraw/zinc/28/40/52/139284052.db2.gz OFNHXQZVXVWFTM-VHSXEESVSA-N 1 0 345.808 1.478 20 5 EDBDRO C[C@@H](Nc1ccc(C(=O)NCC[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000262523962 139284224 /nfs/dbraw/zinc/28/42/24/139284224.db2.gz ZCMXUXRJDMIPGP-LLVKDONJSA-N 1 0 329.360 1.851 20 5 EDBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262603407 139289382 /nfs/dbraw/zinc/28/93/82/139289382.db2.gz QSWIETYTWSFUBM-KGLIPLIRSA-N 1 0 341.371 1.747 20 5 EDBDRO C[C@@H](CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CC[NH2+]CC1 ZINC000569573631 306511429 /nfs/dbraw/zinc/51/14/29/306511429.db2.gz XVUJWDKEERDWAZ-ZDUSSCGKSA-N 1 0 349.435 1.981 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@](C)(C[NH3+])C(C)C)cc([N+](=O)[O-])c1 ZINC000422866589 252005119 /nfs/dbraw/zinc/00/51/19/252005119.db2.gz QTWFGCPKYFJCEW-MRXNPFEDSA-N 1 0 337.376 1.875 20 5 EDBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CNCCN1C ZINC000423509198 252056142 /nfs/dbraw/zinc/05/61/42/252056142.db2.gz IXGKWKDBTJCYOL-KGLIPLIRSA-N 1 0 338.477 1.959 20 5 EDBDRO CSc1ccc(C(=O)N2CCCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000424005645 252112435 /nfs/dbraw/zinc/11/24/35/252112435.db2.gz AOJYIVJSYHITPI-NSHDSACASA-N 1 0 325.390 1.507 20 5 EDBDRO C[C@@H]1CC2(CN1C(=O)COc1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424227978 252171435 /nfs/dbraw/zinc/17/14/35/252171435.db2.gz VRYVEBPHOGKYDF-CYBMUJFWSA-N 1 0 333.388 1.964 20 5 EDBDRO COC(=O)c1cc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000424082452 252127720 /nfs/dbraw/zinc/12/77/20/252127720.db2.gz XJNWHVARWPJFPG-GYSYKLTISA-N 1 0 349.387 1.827 20 5 EDBDRO [NH3+][C@@H]1CCCC[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000424277725 252188309 /nfs/dbraw/zinc/18/83/09/252188309.db2.gz ASFNMSZAHHIGAB-NXEZZACHSA-N 1 0 336.348 1.122 20 5 EDBDRO COc1cc(N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000424417815 252220179 /nfs/dbraw/zinc/22/01/79/252220179.db2.gz XTHYJFSYYCKYOD-CMPLNLGQSA-N 1 0 335.339 1.407 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000425067931 252297118 /nfs/dbraw/zinc/29/71/18/252297118.db2.gz SMSPGOLSCCHPKY-ZUZCIYMTSA-N 1 0 339.342 1.968 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000415656951 304249509 /nfs/dbraw/zinc/24/95/09/304249509.db2.gz UJPPIRGBABACEO-RKDXNWHRSA-N 1 0 340.767 1.573 20 5 EDBDRO C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000263674449 139351830 /nfs/dbraw/zinc/35/18/30/139351830.db2.gz GZANQURCQCVCRW-CQSZACIVSA-N 1 0 332.404 1.585 20 5 EDBDRO O=C(CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1cccnc1 ZINC000489003900 255062173 /nfs/dbraw/zinc/06/21/73/255062173.db2.gz AJKDWXZCEOOZFL-UHFFFAOYSA-N 1 0 344.375 1.852 20 5 EDBDRO Cc1cc(S(=O)(=O)NC2CC[NH+](C)CC2)cc([N+](=O)[O-])c1F ZINC000154242192 224223897 /nfs/dbraw/zinc/22/38/97/224223897.db2.gz MCGAYFPMQLVIGD-UHFFFAOYSA-N 1 0 331.369 1.415 20 5 EDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N[C@H]1C[NH2+]CCC1(F)F ZINC000493042410 255189359 /nfs/dbraw/zinc/18/93/59/255189359.db2.gz BXJKKJPUYQNYSM-QQHVMHFCSA-N 1 0 329.278 1.861 20 5 EDBDRO CC[NH+]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000117333238 221054107 /nfs/dbraw/zinc/05/41/07/221054107.db2.gz MHVWRIWTWILMEF-UHFFFAOYSA-N 1 0 334.376 1.530 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2n[nH]cc2C1 ZINC000118853770 221196893 /nfs/dbraw/zinc/19/68/93/221196893.db2.gz MDRNOYUINCPCOL-UHFFFAOYSA-N 1 0 345.359 1.713 20 5 EDBDRO C[C@@H]([NH3+])C1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269155837 139885234 /nfs/dbraw/zinc/88/52/34/139885234.db2.gz VROUUUWJPAUUKQ-GFCCVEGCSA-N 1 0 348.403 1.301 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270351207 140084115 /nfs/dbraw/zinc/08/41/15/140084115.db2.gz OMSKLBCNZCLFOB-WBMJQRKESA-N 1 0 332.404 1.919 20 5 EDBDRO CCC(=O)N1CC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331672124 141065204 /nfs/dbraw/zinc/06/52/04/141065204.db2.gz USEQOJFSJFYHIR-MELADBBJSA-N 1 0 335.408 1.876 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@]2(O)CCSC2)n1 ZINC000331695580 141068672 /nfs/dbraw/zinc/06/86/72/141068672.db2.gz ZTKPBEIHPDRJCK-BZPMIXESSA-N 1 0 326.422 1.733 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000331720382 141072826 /nfs/dbraw/zinc/07/28/26/141072826.db2.gz IRNVNIHBDZHVHF-HNNXBMFYSA-N 1 0 349.435 1.885 20 5 EDBDRO CC(C)(O)C[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000332253677 141147651 /nfs/dbraw/zinc/14/76/51/141147651.db2.gz RRZBJEQWVZUDBH-UHFFFAOYSA-N 1 0 333.392 1.360 20 5 EDBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000332368279 141170035 /nfs/dbraw/zinc/17/00/35/141170035.db2.gz XYWIYNCXKCDRLW-DVOMOZLQSA-N 1 0 347.415 1.965 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC[N@@H+]1C ZINC000332656402 141224033 /nfs/dbraw/zinc/22/40/33/141224033.db2.gz JRZLOLFEPMEVRU-NEPJUHHUSA-N 1 0 344.375 1.388 20 5 EDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 ZINC000345705734 143123533 /nfs/dbraw/zinc/12/35/33/143123533.db2.gz KXJHIPJROHUWLP-DZGCQCFKSA-N 1 0 340.401 1.421 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)c1C ZINC000416495420 304324578 /nfs/dbraw/zinc/32/45/78/304324578.db2.gz LUJNJBXUUIJNAI-LBPRGKRZSA-N 1 0 327.406 1.442 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000416494474 304324359 /nfs/dbraw/zinc/32/43/59/304324359.db2.gz IVJFMJIBEBIXPU-LBPRGKRZSA-N 1 0 327.406 1.442 20 5 EDBDRO CCC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1nnc2ccccn21 ZINC000347652164 143345685 /nfs/dbraw/zinc/34/56/85/143345685.db2.gz QKYKTGUHOUTZKQ-CYBMUJFWSA-N 1 0 329.364 1.965 20 5 EDBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCCC2 ZINC000347707351 143352429 /nfs/dbraw/zinc/35/24/29/143352429.db2.gz MUYJNRDUECPQKN-SOUVJXGZSA-N 1 0 338.408 1.480 20 5 EDBDRO CSC1(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000347795319 143364137 /nfs/dbraw/zinc/36/41/37/143364137.db2.gz GYVFHDOTFCJSOW-UHFFFAOYSA-N 1 0 345.446 1.358 20 5 EDBDRO O=C(NC1CC1)N[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000355101907 150116688 /nfs/dbraw/zinc/11/66/88/150116688.db2.gz KJJLXOJUELMGND-ZDUSSCGKSA-N 1 0 334.376 1.510 20 5 EDBDRO [NH3+]CCCN(CC1CCCC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000357373955 151011413 /nfs/dbraw/zinc/01/14/13/151011413.db2.gz LFTCBORIHLXFSJ-UHFFFAOYSA-N 1 0 336.392 1.124 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC000357712364 151122307 /nfs/dbraw/zinc/12/23/07/151122307.db2.gz WNTUHHFQKOBEDX-DOTOQJQBSA-N 1 0 348.378 1.998 20 5 EDBDRO C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1ccccc1F ZINC000573913983 306638204 /nfs/dbraw/zinc/63/82/04/306638204.db2.gz QTBGWBXFWNIZCS-DGCLKSJQSA-N 1 0 338.339 1.348 20 5 EDBDRO COc1ccc([C@@H]2[C@H](CNC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CCC[N@@H+]2C)cc1 ZINC000360536298 152085471 /nfs/dbraw/zinc/08/54/71/152085471.db2.gz JFRIPKJRRKRUFH-PQEBFOHHSA-N 1 0 347.415 1.860 20 5 EDBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])nn2C)n(C2CC[NH+](C)CC2)n1 ZINC000360745686 152181912 /nfs/dbraw/zinc/18/19/12/152181912.db2.gz MHAJVRBSLTZVFB-UHFFFAOYSA-N 1 0 347.379 1.352 20 5 EDBDRO CC[C@@H](O)C[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000361262172 152348216 /nfs/dbraw/zinc/34/82/16/152348216.db2.gz RMIJTWFVZZUCLJ-CYBMUJFWSA-N 1 0 333.392 1.360 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](O)C1(C)C ZINC000361424924 152391032 /nfs/dbraw/zinc/39/10/32/152391032.db2.gz BWOUQGNBCCTKBT-AWEZNQCLSA-N 1 0 337.376 1.777 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000370174137 155362448 /nfs/dbraw/zinc/36/24/48/155362448.db2.gz PVTAKFJQYNLNAV-TZMCWYRMSA-N 1 0 339.417 1.530 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000362575804 152749248 /nfs/dbraw/zinc/74/92/48/152749248.db2.gz LMEILRZTKKNWBM-AWEZNQCLSA-N 1 0 327.331 1.872 20 5 EDBDRO COc1ccc(CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000417191166 304382800 /nfs/dbraw/zinc/38/28/00/304382800.db2.gz LUQJLLWAXMASLJ-BFHYXJOUSA-N 1 0 348.403 1.872 20 5 EDBDRO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000364342200 153209656 /nfs/dbraw/zinc/20/96/56/153209656.db2.gz IEUQBKDJRRARGE-LSDHHAIUSA-N 1 0 335.408 1.657 20 5 EDBDRO COc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc([N+](=O)[O-])c1C ZINC000364570938 153275009 /nfs/dbraw/zinc/27/50/09/153275009.db2.gz AHKPBTJZDJBKLN-UONOGXRCSA-N 1 0 349.387 1.505 20 5 EDBDRO CN(C(=O)CN1CCCC[C@H]1C(=[NH2+])NO)c1ccc([N+](=O)[O-])cc1 ZINC000364771101 153328731 /nfs/dbraw/zinc/32/87/31/153328731.db2.gz QAOKVFZUHJYBAQ-ZDUSSCGKSA-N 1 0 335.364 1.368 20 5 EDBDRO O=C(NC1C[NH2+]C1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000364873287 153357855 /nfs/dbraw/zinc/35/78/55/153357855.db2.gz WTUHSAGHZGKBHH-GOEBONIOSA-N 1 0 330.388 1.214 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000371566625 156006293 /nfs/dbraw/zinc/00/62/93/156006293.db2.gz XAWRFSMPAODHLI-UHFFFAOYSA-N 1 0 348.403 1.504 20 5 EDBDRO O=C(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000371667586 156055464 /nfs/dbraw/zinc/05/54/64/156055464.db2.gz HJPYAVYQEQDOOQ-BBWFWOEESA-N 1 0 347.415 1.213 20 5 EDBDRO [NH2+]=C(NO)[C@@H]1CCCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000374176172 157179754 /nfs/dbraw/zinc/17/97/54/157179754.db2.gz QQOKBZRJOVWXJU-LBPRGKRZSA-N 1 0 346.347 1.955 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2[C@H]2COCC[C@@H]2O)cc1 ZINC000374180201 157182331 /nfs/dbraw/zinc/18/23/31/157182331.db2.gz ZDBIQMIQEGZEOY-ZACQAIPSSA-N 1 0 336.388 1.835 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC3(Cc4ccccc4C3)C2)c1 ZINC000374381217 157268240 /nfs/dbraw/zinc/26/82/40/157268240.db2.gz RZECGARYQDKSTN-KRWDZBQOSA-N 1 0 342.399 1.643 20 5 EDBDRO COC[C@@H](C)CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000575367537 306668628 /nfs/dbraw/zinc/66/86/28/306668628.db2.gz APPIYPCENWOOBX-NSHDSACASA-N 1 0 345.421 1.046 20 5 EDBDRO CS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000261963224 286638096 /nfs/dbraw/zinc/63/80/96/286638096.db2.gz YBOQIWKGRLMIDK-CYZMBNFOSA-N 1 0 339.417 1.562 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000575802925 306672120 /nfs/dbraw/zinc/67/21/20/306672120.db2.gz XVRMEZCDIGWCCS-ZDUSSCGKSA-N 1 0 344.375 1.431 20 5 EDBDRO COc1cc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000352544411 162241226 /nfs/dbraw/zinc/24/12/26/162241226.db2.gz AILVCIKOFIWEOH-CJNGLKHVSA-N 1 0 335.404 1.756 20 5 EDBDRO C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1ccc([N+](=O)[O-])cc1 ZINC000375503709 287056359 /nfs/dbraw/zinc/05/63/59/287056359.db2.gz XVRBIHRNLDEZPO-JDSLSITLSA-N 1 0 343.387 1.999 20 5 EDBDRO C[C@@H]1CN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C[NH2+]1 ZINC000418084117 304456283 /nfs/dbraw/zinc/45/62/83/304456283.db2.gz OMEJQZQZZSCGRV-NXEZZACHSA-N 1 0 332.364 1.363 20 5 EDBDRO CC(=O)NC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000067419446 287245859 /nfs/dbraw/zinc/24/58/59/287245859.db2.gz ASRSKTXUNCJJGD-CQSZACIVSA-N 1 0 348.403 1.772 20 5 EDBDRO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090554458 287331173 /nfs/dbraw/zinc/33/11/73/287331173.db2.gz TYVOEUKXPTXGLS-DYVFJYSZSA-N 1 0 337.420 1.923 20 5 EDBDRO O=C(NCCC[NH2+]C1CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418303322 304477523 /nfs/dbraw/zinc/47/75/23/304477523.db2.gz SHSLWUBSEWHIIZ-UHFFFAOYSA-N 1 0 347.419 1.569 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000171498044 227111581 /nfs/dbraw/zinc/11/15/81/227111581.db2.gz JLBSTLYSWFVNCX-UHFFFAOYSA-N 1 0 344.375 1.083 20 5 EDBDRO C[C@H]1C[C@@H](N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000123085749 222212039 /nfs/dbraw/zinc/21/20/39/222212039.db2.gz MZWYQDGKYBKCQD-ZFWWWQNUSA-N 1 0 346.431 1.898 20 5 EDBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000123461514 222281513 /nfs/dbraw/zinc/28/15/13/222281513.db2.gz FOYMPBJHMDQYDB-UHFFFAOYSA-N 1 0 333.385 1.695 20 5 EDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418448317 304496282 /nfs/dbraw/zinc/49/62/82/304496282.db2.gz RPSUBHJDKXHART-LBPRGKRZSA-N 1 0 336.392 1.741 20 5 EDBDRO CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418448788 304496344 /nfs/dbraw/zinc/49/63/44/304496344.db2.gz SDNIANZUROMJLO-CQSZACIVSA-N 1 0 349.435 1.800 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc1C ZINC000262752882 273017857 /nfs/dbraw/zinc/01/78/57/273017857.db2.gz GXGPRVLZFVJLEP-NWDGAFQWSA-N 1 0 327.406 1.583 20 5 EDBDRO C[NH+](C)C1(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000275468382 268347429 /nfs/dbraw/zinc/34/74/29/268347429.db2.gz LJEXUUVEKXRKPX-UHFFFAOYSA-N 1 0 341.433 1.541 20 5 EDBDRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000275540965 268357841 /nfs/dbraw/zinc/35/78/41/268357841.db2.gz ZJWXDZKVXTXBIJ-JTQLQIEISA-N 1 0 339.323 1.557 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000277053046 268507992 /nfs/dbraw/zinc/50/79/92/268507992.db2.gz QHHDDIJJKYUSFG-GFCCVEGCSA-N 1 0 327.406 1.700 20 5 EDBDRO C[NH+](C)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000274336928 273085067 /nfs/dbraw/zinc/08/50/67/273085067.db2.gz CCCUGPJRQUMLBL-NSHDSACASA-N 1 0 327.768 1.651 20 5 EDBDRO C[C@@H]1C[N@H+](CCCNC(=O)Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000277422252 273195093 /nfs/dbraw/zinc/19/50/93/273195093.db2.gz FYOMVOIZNCCZLK-CQSZACIVSA-N 1 0 335.404 1.754 20 5 EDBDRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000278911530 273270534 /nfs/dbraw/zinc/27/05/34/273270534.db2.gz ZMFOROJBMIQBFY-WHOFXGATSA-N 1 0 337.376 1.705 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@](C)(O)C[NH+](C)C ZINC000279444696 273298508 /nfs/dbraw/zinc/29/85/08/273298508.db2.gz LSRLICIBRTVCOR-CQSZACIVSA-N 1 0 345.783 1.759 20 5 EDBDRO CN(C)c1cc(F)c(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000279446570 273298786 /nfs/dbraw/zinc/29/87/86/273298786.db2.gz NSBSUWNZUUAHCS-LLVKDONJSA-N 1 0 338.383 1.966 20 5 EDBDRO CC[NH+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000279629512 273314170 /nfs/dbraw/zinc/31/41/70/273314170.db2.gz IJVNVSKDGPAVLK-UHFFFAOYSA-N 1 0 340.811 1.616 20 5 EDBDRO C[C@]1(O)CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000280178817 273348736 /nfs/dbraw/zinc/34/87/36/273348736.db2.gz SUXYRTUCKDJFBO-KRWDZBQOSA-N 1 0 333.388 1.721 20 5 EDBDRO O=C(CC[NH2+][C@H]1CCC(=O)NC12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000282865396 273729946 /nfs/dbraw/zinc/72/99/46/273729946.db2.gz UDVVBPWTNCKVOX-AWEZNQCLSA-N 1 0 346.387 1.714 20 5 EDBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[NH+](C)C ZINC000284285698 274146901 /nfs/dbraw/zinc/14/69/01/274146901.db2.gz KBEHFRUYDMNLQI-UHFFFAOYSA-N 1 0 330.182 1.957 20 5 EDBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C(N)=O)C1 ZINC000337399221 274302143 /nfs/dbraw/zinc/30/21/43/274302143.db2.gz GPWQRTCEFOOQNW-RISCZKNCSA-N 1 0 334.376 1.509 20 5 EDBDRO C[N@@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1Cc1ccccc1 ZINC000284818828 274345033 /nfs/dbraw/zinc/34/50/33/274345033.db2.gz QWZFPRIALOOAEL-MRXNPFEDSA-N 1 0 329.404 1.650 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000284845795 274356633 /nfs/dbraw/zinc/35/66/33/274356633.db2.gz CMQMOAJTABSZLV-KBPBESRZSA-N 1 0 339.779 1.793 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000186202816 276173993 /nfs/dbraw/zinc/17/39/93/276173993.db2.gz QSZXUWINEKXYFS-OAHLLOKOSA-N 1 0 341.433 1.541 20 5 EDBDRO CCOC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000286036896 287920156 /nfs/dbraw/zinc/92/01/56/287920156.db2.gz IDASMZPFAZMVDQ-KGLIPLIRSA-N 1 0 326.393 1.985 20 5 EDBDRO CN1CCN(C)[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000332039530 277103129 /nfs/dbraw/zinc/10/31/29/277103129.db2.gz KGBJSUUAQSUQDG-ILXRZTDVSA-N 1 0 336.440 1.110 20 5 EDBDRO C[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]21 ZINC000357631752 277131783 /nfs/dbraw/zinc/13/17/83/277131783.db2.gz SQLZQLZURVOSTN-OLZOCXBDSA-N 1 0 331.332 1.164 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000358252140 277243379 /nfs/dbraw/zinc/24/33/79/277243379.db2.gz SCPDQGVSXJPAST-GLQYFDAESA-N 1 0 348.403 1.816 20 5 EDBDRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000177248219 277272439 /nfs/dbraw/zinc/27/24/39/277272439.db2.gz MNWTXNYWFSTYRM-WCQYABFASA-N 1 0 331.376 1.998 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000237155699 277279134 /nfs/dbraw/zinc/27/91/34/277279134.db2.gz RUXWVRADVMDOFB-LBPRGKRZSA-N 1 0 327.406 1.584 20 5 EDBDRO CO[C@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000348001201 277761405 /nfs/dbraw/zinc/76/14/05/277761405.db2.gz JNAYYPKGWCJZQK-OLZOCXBDSA-N 1 0 336.392 1.259 20 5 EDBDRO CS(=O)(=O)c1ccc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000261963225 278119994 /nfs/dbraw/zinc/11/99/94/278119994.db2.gz YBOQIWKGRLMIDK-DRZSPHRISA-N 1 0 339.417 1.562 20 5 EDBDRO C[C@@H](C[NH3+])CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420419563 278245206 /nfs/dbraw/zinc/24/52/06/278245206.db2.gz IYVACKYNUQKEPX-ZETCQYMHSA-N 1 0 341.311 1.487 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000420418822 280654725 /nfs/dbraw/zinc/65/47/25/280654725.db2.gz GZMAJXXMKVFGFC-OLZOCXBDSA-N 1 0 339.417 1.584 20 5 EDBDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000292606759 289393950 /nfs/dbraw/zinc/39/39/50/289393950.db2.gz HTUFERMYVZZDJM-LLVKDONJSA-N 1 0 339.392 1.951 20 5 EDBDRO C[N@@H+]1CCO[C@@H]2CCN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@@H]21 ZINC000343279552 290088222 /nfs/dbraw/zinc/08/82/22/290088222.db2.gz JIVGNYADOMFMRB-UONOGXRCSA-N 1 0 329.360 1.447 20 5 EDBDRO C[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000419158770 304572347 /nfs/dbraw/zinc/57/23/47/304572347.db2.gz YFMXGYLRKQSDJA-FZMZJTMJSA-N 1 0 348.403 1.406 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000419159011 304572489 /nfs/dbraw/zinc/57/24/89/304572489.db2.gz FNTPBHDQWQKSNP-KYOSRNDESA-N 1 0 348.403 1.419 20 5 EDBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000420277147 304742425 /nfs/dbraw/zinc/74/24/25/304742425.db2.gz IHSUADGLWAKZRW-DOMZBBRYSA-N 1 0 331.376 1.804 20 5 EDBDRO Cn1ccnc1C(=O)c1ccc(N2CC[NH2+]C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000420280229 304742894 /nfs/dbraw/zinc/74/28/94/304742894.db2.gz PYDSHIGRGDXUGP-UHFFFAOYSA-N 1 0 343.387 1.748 20 5 EDBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420432898 304757742 /nfs/dbraw/zinc/75/77/42/304757742.db2.gz BZPSTPUDYMCDGL-MRVPVSSYSA-N 1 0 341.311 1.629 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000294588840 303128193 /nfs/dbraw/zinc/12/81/93/303128193.db2.gz PGZRKPCKKBKLIB-UHFFFAOYSA-N 1 0 329.328 1.051 20 5 EDBDRO C[C@@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000295041185 303166399 /nfs/dbraw/zinc/16/63/99/303166399.db2.gz SCHQDBXYIZKWHS-IUODEOHRSA-N 1 0 333.388 1.966 20 5 EDBDRO COc1cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000295120729 303175611 /nfs/dbraw/zinc/17/56/11/303175611.db2.gz MIVGVKWSDFPCDZ-RNCFNFMXSA-N 1 0 337.351 1.955 20 5 EDBDRO CCn1cc(CN2CCCN(c3ncc([N+](=O)[O-])c(C)n3)CC2)cn1 ZINC000297116806 303360986 /nfs/dbraw/zinc/36/09/86/303360986.db2.gz MDIPFMASXCCMBT-UHFFFAOYSA-N 1 0 345.407 1.622 20 5 EDBDRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000297723985 303434673 /nfs/dbraw/zinc/43/46/73/303434673.db2.gz CAONMDIZOIOYTN-UHFFFAOYSA-N 1 0 342.783 1.643 20 5 EDBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000299122586 303586205 /nfs/dbraw/zinc/58/62/05/303586205.db2.gz JKNWAPAJAFOTMX-HNNXBMFYSA-N 1 0 345.403 1.471 20 5 EDBDRO CN1CC[NH2+]C[C@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000394736253 303854423 /nfs/dbraw/zinc/85/44/23/303854423.db2.gz OAMMMCGSBXDDPI-VIFPVBQESA-N 1 0 330.186 1.068 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC2(CC[NH2+]2)CC1 ZINC000422625079 304875046 /nfs/dbraw/zinc/87/50/46/304875046.db2.gz APQZHUXBIFLCMF-GFCCVEGCSA-N 1 0 348.403 1.758 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc([N+](=O)[O-])c1C ZINC000423690915 304904531 /nfs/dbraw/zinc/90/45/31/304904531.db2.gz ZGJNJUNUSOHDNB-BETUJISGSA-N 1 0 333.388 1.983 20 5 EDBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000423938914 304919791 /nfs/dbraw/zinc/91/97/91/304919791.db2.gz KRXKVNMJWRPSFL-CYBMUJFWSA-N 1 0 331.376 1.803 20 5 EDBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000423975249 304921823 /nfs/dbraw/zinc/92/18/23/304921823.db2.gz LPJNCKMQFBHYLG-OAHLLOKOSA-N 1 0 331.376 1.560 20 5 EDBDRO Cc1nn(CCC(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000424075419 304927877 /nfs/dbraw/zinc/92/78/77/304927877.db2.gz PDJFUJCJDURMBB-WDMOLILDSA-N 1 0 337.424 1.630 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000427285112 304987960 /nfs/dbraw/zinc/98/79/60/304987960.db2.gz SKNMRJCTZORRST-CYBMUJFWSA-N 1 0 346.391 1.925 20 5 EDBDRO COc1cc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc([N+](=O)[O-])c1OC ZINC000428121804 305007631 /nfs/dbraw/zinc/00/76/31/305007631.db2.gz YTFAFLMPUNPRPV-JQWIXIFHSA-N 1 0 337.376 1.954 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000429148393 305024594 /nfs/dbraw/zinc/02/45/94/305024594.db2.gz DFSLOJHDSMNXRJ-OCCSQVGLSA-N 1 0 348.403 1.301 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000429267056 305027245 /nfs/dbraw/zinc/02/72/45/305027245.db2.gz ZITWKNYZNMMKOG-GRYCIOLGSA-N 1 0 338.412 1.071 20 5 EDBDRO CNC(=O)[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430284173 305049604 /nfs/dbraw/zinc/04/96/04/305049604.db2.gz MODOXXOOWBFGLR-PXAZEXFGSA-N 1 0 348.403 1.688 20 5 EDBDRO [NH3+]C[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430634016 305060428 /nfs/dbraw/zinc/06/04/28/305060428.db2.gz BAEDIJJENHJXPU-LLVKDONJSA-N 1 0 326.784 2.000 20 5 EDBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000430706862 305063110 /nfs/dbraw/zinc/06/31/10/305063110.db2.gz DUJRANJZRYDUED-OAHLLOKOSA-N 1 0 349.387 1.874 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000431029063 305073132 /nfs/dbraw/zinc/07/31/32/305073132.db2.gz XKVUNPJQLVBKLJ-UHFFFAOYSA-N 1 0 339.417 1.667 20 5 EDBDRO COC[C@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCCO1 ZINC000434786580 305130188 /nfs/dbraw/zinc/13/01/88/305130188.db2.gz RNVQGIDAANKXNF-LSDHHAIUSA-N 1 0 337.376 1.625 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000434876030 305131937 /nfs/dbraw/zinc/13/19/37/305131937.db2.gz WKISYLOFXGAANC-NSHDSACASA-N 1 0 325.390 1.315 20 5 EDBDRO Cc1c(C(=O)N2CCC([N@@H+](C)C[C@@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000444350429 305246564 /nfs/dbraw/zinc/24/65/64/305246564.db2.gz HQCQEWNDKVNEKB-GFCCVEGCSA-N 1 0 335.404 1.820 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@H](CO)[C@H]3CCCO3)o2)c1 ZINC000447911431 305288831 /nfs/dbraw/zinc/28/88/31/305288831.db2.gz DZQQDGDISIZIEY-HUUCEWRRSA-N 1 0 347.371 1.922 20 5 EDBDRO CC[C@@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@H](C)O ZINC000449533615 305313002 /nfs/dbraw/zinc/31/30/02/305313002.db2.gz BJURRYCUBWZCJH-CMPLNLGQSA-N 1 0 326.349 1.396 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000449698560 305317374 /nfs/dbraw/zinc/31/73/74/305317374.db2.gz NGVWNBFIEZOJOR-MRXNPFEDSA-N 1 0 346.431 1.690 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2COCC2(C)C)c([N+](=O)[O-])c1 ZINC000451815491 305370828 /nfs/dbraw/zinc/37/08/28/305370828.db2.gz ZSTODNPWRCLHNY-CQSZACIVSA-N 1 0 337.376 1.947 20 5 EDBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc(F)cc([N+](=O)[O-])c1 ZINC000452346576 305390717 /nfs/dbraw/zinc/39/07/17/305390717.db2.gz GYJWBLWHLVTUPT-ZDUSSCGKSA-N 1 0 325.340 1.311 20 5 EDBDRO CNc1nc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000455541531 305443251 /nfs/dbraw/zinc/44/32/51/305443251.db2.gz XEKVHOCGLVRVKE-LBPRGKRZSA-N 1 0 333.392 1.732 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)c1cnn(C)c1 ZINC000545292401 306083866 /nfs/dbraw/zinc/08/38/66/306083866.db2.gz AWHPNPHKYMMMKV-UHFFFAOYSA-N 1 0 347.375 1.800 20 5 EDBDRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000548414339 306127495 /nfs/dbraw/zinc/12/74/95/306127495.db2.gz QMFYKRFXGCWNCD-UTUOFQBUSA-N 1 0 337.380 1.032 20 5 EDBDRO O=C(NCC1CC[NH2+]CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000557211200 306226577 /nfs/dbraw/zinc/22/65/77/306226577.db2.gz KLMVBDYKYRFDFM-UHFFFAOYSA-N 1 0 347.419 1.426 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000046035268 441071651 /nfs/dbraw/zinc/07/16/51/441071651.db2.gz JPLDVDOZTZAENZ-LBPRGKRZSA-N 1 0 341.433 1.913 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000014102401 441172195 /nfs/dbraw/zinc/17/21/95/441172195.db2.gz HPQOHVHYFLBGEZ-UHFFFAOYSA-N 1 0 325.390 1.500 20 5 EDBDRO O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000058123991 441152248 /nfs/dbraw/zinc/15/22/48/441152248.db2.gz DZPHPNDFVSDTGR-UHFFFAOYSA-N 1 0 344.375 1.811 20 5 EDBDRO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000104748832 441203705 /nfs/dbraw/zinc/20/37/05/441203705.db2.gz YOXQCZUHBMGMOX-JTQLQIEISA-N 1 0 347.824 1.820 20 5 EDBDRO CNS(=O)(=O)c1ccc(NC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000058851334 441215100 /nfs/dbraw/zinc/21/51/00/441215100.db2.gz ZQLGKGWOXMWXSS-UHFFFAOYSA-N 1 0 328.394 1.009 20 5 EDBDRO CCOc1cc(C(=O)NC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000025149082 441332317 /nfs/dbraw/zinc/33/23/17/441332317.db2.gz GPFPIHMSWKGDBY-SNVBAGLBSA-N 1 0 325.365 1.682 20 5 EDBDRO COCC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000048426229 441304428 /nfs/dbraw/zinc/30/44/28/441304428.db2.gz NSUBHRXVOXDRIJ-UHFFFAOYSA-N 1 0 337.376 1.398 20 5 EDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000063865788 441359684 /nfs/dbraw/zinc/35/96/84/441359684.db2.gz DEAAZASVFTXMNT-CYBMUJFWSA-N 1 0 348.403 1.173 20 5 EDBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)C2)CC1 ZINC000106803311 441373834 /nfs/dbraw/zinc/37/38/34/441373834.db2.gz UIHKWEKEDJDABJ-OAHLLOKOSA-N 1 0 346.431 1.755 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000108718297 441472363 /nfs/dbraw/zinc/47/23/63/441472363.db2.gz QASAQLZNLBDWDL-CYBMUJFWSA-N 1 0 327.406 1.499 20 5 EDBDRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccncc2[N+](=O)[O-])c1 ZINC000066816395 441570881 /nfs/dbraw/zinc/57/08/81/441570881.db2.gz FBMXPEHDRQWSKM-UHFFFAOYSA-N 1 0 343.387 1.893 20 5 EDBDRO C[C@@H]1C[N@@H+](CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000032926985 441578803 /nfs/dbraw/zinc/57/88/03/441578803.db2.gz GTWOJLKWJRDDOP-OKILXGFUSA-N 1 0 335.404 1.753 20 5 EDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](CCO)c1ccccc1 ZINC000090550917 441633378 /nfs/dbraw/zinc/63/33/78/441633378.db2.gz RIPYJVFVPWSKGN-INIZCTEOSA-N 1 0 331.372 1.812 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000076776686 441684563 /nfs/dbraw/zinc/68/45/63/441684563.db2.gz OMDPXYGVODRTBA-UHFFFAOYSA-N 1 0 344.419 1.688 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000067997396 441707299 /nfs/dbraw/zinc/70/72/99/441707299.db2.gz VEPKWJVXQKFCNG-CQSZACIVSA-N 1 0 347.375 1.728 20 5 EDBDRO CCN(CCC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)S(C)(=O)=O ZINC000121562085 441732624 /nfs/dbraw/zinc/73/26/24/441732624.db2.gz MOLVHLWTQIABPG-UHFFFAOYSA-N 1 0 345.421 1.365 20 5 EDBDRO COC(=O)c1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000068935838 441871452 /nfs/dbraw/zinc/87/14/52/441871452.db2.gz AQNLQGPHTCFGSX-LBPRGKRZSA-N 1 0 349.387 1.842 20 5 EDBDRO COCC[NH+]1CCC(NC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000140303554 441836130 /nfs/dbraw/zinc/83/61/30/441836130.db2.gz XOLBMIUNVXAPMJ-UHFFFAOYSA-N 1 0 336.392 1.505 20 5 EDBDRO CCc1ccc(C(=O)N(C)CCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000174216648 441904821 /nfs/dbraw/zinc/90/48/21/441904821.db2.gz KHFXPXUXWMJNIK-UHFFFAOYSA-N 1 0 348.447 1.867 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000069129166 441895399 /nfs/dbraw/zinc/89/53/99/441895399.db2.gz ISIBHNSMWPATRP-LLVKDONJSA-N 1 0 327.406 1.664 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000069129275 441896230 /nfs/dbraw/zinc/89/62/30/441896230.db2.gz XAUSXCIJEMWJGZ-NSHDSACASA-N 1 0 327.406 1.664 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174168208 441896922 /nfs/dbraw/zinc/89/69/22/441896922.db2.gz KGZNCJMWYZYAKH-CQSZACIVSA-N 1 0 349.387 1.154 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000069143791 441897966 /nfs/dbraw/zinc/89/79/66/441897966.db2.gz DEAAZASVFTXMNT-ZDUSSCGKSA-N 1 0 348.403 1.173 20 5 EDBDRO C[NH2+][C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000160590223 441900066 /nfs/dbraw/zinc/90/00/66/441900066.db2.gz TWAPXEIWALLXLY-JTQLQIEISA-N 1 0 342.193 1.720 20 5 EDBDRO COc1ccc(CC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000069547062 441972270 /nfs/dbraw/zinc/97/22/70/441972270.db2.gz ZTCOHODSUOLFCH-ZDUSSCGKSA-N 1 0 333.388 1.746 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000078575170 441946098 /nfs/dbraw/zinc/94/60/98/441946098.db2.gz GNBTTZJTAYJYLX-NSHDSACASA-N 1 0 331.376 1.752 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000078583874 441947027 /nfs/dbraw/zinc/94/70/27/441947027.db2.gz PQGGXWGZXWNXFO-GFCCVEGCSA-N 1 0 341.433 1.776 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000161084179 441955212 /nfs/dbraw/zinc/95/52/12/441955212.db2.gz DRGDRSFFZJSANO-VXGBXAGGSA-N 1 0 329.360 1.780 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000125230817 442000401 /nfs/dbraw/zinc/00/04/01/442000401.db2.gz JIOSAQOKNAJPQE-UWVGGRQHSA-N 1 0 329.378 1.152 20 5 EDBDRO C[NH+](C)CCn1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)n1 ZINC000151148483 442013487 /nfs/dbraw/zinc/01/34/87/442013487.db2.gz NJKZBPPZRKBRAO-UHFFFAOYSA-N 1 0 335.339 1.673 20 5 EDBDRO NC(=O)C[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000175221564 442021043 /nfs/dbraw/zinc/02/10/43/442021043.db2.gz LIHXXUIIVDIGFE-IUODEOHRSA-N 1 0 346.387 1.288 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000069902317 442071644 /nfs/dbraw/zinc/07/16/44/442071644.db2.gz JDNBTIIKPAEYIF-UHFFFAOYSA-N 1 0 343.405 1.368 20 5 EDBDRO C[C@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCOC1 ZINC000162683526 442114937 /nfs/dbraw/zinc/11/49/37/442114937.db2.gz GQGSZCPIIRDNLC-NWDGAFQWSA-N 1 0 335.360 1.907 20 5 EDBDRO COC(=O)c1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000120831067 442139948 /nfs/dbraw/zinc/13/99/48/442139948.db2.gz BPIWRYVVFJOXPG-ABAIWWIYSA-N 1 0 349.387 1.794 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000172017551 442399608 /nfs/dbraw/zinc/39/96/08/442399608.db2.gz IHKJABHGTRCSSI-LBPRGKRZSA-N 1 0 341.433 1.913 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000154838240 442359555 /nfs/dbraw/zinc/35/95/55/442359555.db2.gz LAHUQLLPFWOIGV-NSHDSACASA-N 1 0 335.408 1.726 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000178218170 442416428 /nfs/dbraw/zinc/41/64/28/442416428.db2.gz JKNGBDPCNVEXHV-OAHLLOKOSA-N 1 0 333.436 1.905 20 5 EDBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000133766681 442433064 /nfs/dbraw/zinc/43/30/64/442433064.db2.gz AEIQCJNDARSGQT-LBPRGKRZSA-N 1 0 329.360 1.605 20 5 EDBDRO C[NH2+][C@H]1CCCN(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)C1 ZINC000133922586 442440554 /nfs/dbraw/zinc/44/05/54/442440554.db2.gz BJGYHRRDEWTKHU-LBPRGKRZSA-N 1 0 344.375 1.308 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000156081707 442446464 /nfs/dbraw/zinc/44/64/64/442446464.db2.gz XMWPVOHEXJMVRA-ZDUSSCGKSA-N 1 0 349.435 1.908 20 5 EDBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000186246792 442495298 /nfs/dbraw/zinc/49/52/98/442495298.db2.gz HAMZTUMEQSZHFU-GFCCVEGCSA-N 1 0 343.387 1.822 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)n1 ZINC000191756764 442505307 /nfs/dbraw/zinc/50/53/07/442505307.db2.gz DNVVCEXYECSQLC-JTQLQIEISA-N 1 0 337.405 1.905 20 5 EDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178730737 442466563 /nfs/dbraw/zinc/46/65/63/442466563.db2.gz GQEOUERDXNYNBX-HNNXBMFYSA-N 1 0 337.401 1.852 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172464457 442467802 /nfs/dbraw/zinc/46/78/02/442467802.db2.gz VCFSDHMRKRQZBI-UHFFFAOYSA-N 1 0 348.403 1.483 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000178962880 442539591 /nfs/dbraw/zinc/53/95/91/442539591.db2.gz SWWPEWWXCCCUGZ-LBPRGKRZSA-N 1 0 329.360 1.462 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000186339208 442515033 /nfs/dbraw/zinc/51/50/33/442515033.db2.gz SFUKUCFCHPHZRP-OKFGHLOFSA-N 1 0 346.431 1.750 20 5 EDBDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000173266071 442636297 /nfs/dbraw/zinc/63/62/97/442636297.db2.gz ILRNKTQKLDESSL-ZJUUUORDSA-N 1 0 333.435 1.760 20 5 EDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1(O)CCCCCC1 ZINC000187315964 442669331 /nfs/dbraw/zinc/66/93/31/442669331.db2.gz TXZJOIKJEFCKIH-CQSZACIVSA-N 1 0 326.397 1.169 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000193172990 442720023 /nfs/dbraw/zinc/72/00/23/442720023.db2.gz FYCUJCNQSWZVHO-UHFFFAOYSA-N 1 0 343.405 1.318 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000193174689 442720027 /nfs/dbraw/zinc/72/00/27/442720027.db2.gz SVOZIQGNDIIYSG-GFCCVEGCSA-N 1 0 343.405 1.366 20 5 EDBDRO Cc1c(C(=O)N(C)CCC[NH+](C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000181937514 442722799 /nfs/dbraw/zinc/72/27/99/442722799.db2.gz DLVRKHULMZWTEW-UHFFFAOYSA-N 1 0 346.391 1.508 20 5 EDBDRO Nc1cc[nH+]cc1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000188222265 442726351 /nfs/dbraw/zinc/72/63/51/442726351.db2.gz KMVASZONVPIBII-JTQLQIEISA-N 1 0 328.332 1.294 20 5 EDBDRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193331359 442733810 /nfs/dbraw/zinc/73/38/10/442733810.db2.gz QIIKOOFDHDYCSS-ZDUSSCGKSA-N 1 0 346.343 1.855 20 5 EDBDRO C[NH+]1CCN(c2ccc(CNc3cc(N)ccc3[N+](=O)[O-])cn2)CC1 ZINC000193380828 442737710 /nfs/dbraw/zinc/73/77/10/442737710.db2.gz ZGJUBQHDFQJPOZ-UHFFFAOYSA-N 1 0 342.403 1.936 20 5 EDBDRO C[C@H]1C[C@H](N(C)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@@H+]1C ZINC000182146411 442740036 /nfs/dbraw/zinc/74/00/36/442740036.db2.gz YKEDJJDJWDVHJL-CMPLNLGQSA-N 1 0 335.360 1.878 20 5 EDBDRO Nc1c(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc(F)cc1[N+](=O)[O-] ZINC000188686024 442787984 /nfs/dbraw/zinc/78/79/84/442787984.db2.gz PIODKTVUOJJEQS-UHFFFAOYSA-N 1 0 330.319 1.849 20 5 EDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1nnc2ccccn21 ZINC000182743514 442817409 /nfs/dbraw/zinc/81/74/09/442817409.db2.gz YYLZGXJXVNFHPY-NSHDSACASA-N 1 0 328.332 1.150 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000268189501 442890818 /nfs/dbraw/zinc/89/08/18/442890818.db2.gz DOHGPHDVTYRQFG-RISCZKNCSA-N 1 0 327.406 1.307 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000268298275 442937476 /nfs/dbraw/zinc/93/74/76/442937476.db2.gz NYHGVHLBXHXGQP-IINYFYTJSA-N 1 0 334.376 1.250 20 5 EDBDRO COC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000189402216 442941209 /nfs/dbraw/zinc/94/12/09/442941209.db2.gz DKOJTWWFHIMAAK-SWLSCSKDSA-N 1 0 337.376 1.659 20 5 EDBDRO CC(C)[NH+]1CCC(O)(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000268445827 442992247 /nfs/dbraw/zinc/99/22/47/442992247.db2.gz HHESTGGJYPRGRQ-UHFFFAOYSA-N 1 0 349.431 1.879 20 5 EDBDRO CN(C)C(=O)CC[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000268449582 442993726 /nfs/dbraw/zinc/99/37/26/442993726.db2.gz ILGIEJGCRSSDKL-UHFFFAOYSA-N 1 0 326.422 1.252 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000255277935 443091519 /nfs/dbraw/zinc/09/15/19/443091519.db2.gz YUPARLAQOBYRLX-BYTACQFHSA-N 1 0 333.388 1.522 20 5 EDBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000184898033 443094021 /nfs/dbraw/zinc/09/40/21/443094021.db2.gz FOYKNMQVGWJTCM-RHSMWYFYSA-N 1 0 337.420 1.592 20 5 EDBDRO O=C(NCC[NH+]1CCC(O)CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000296949552 318737761 /nfs/dbraw/zinc/73/77/61/318737761.db2.gz NIZVZBAGHXCTKV-UHFFFAOYSA-N 1 0 332.360 1.263 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000298144596 318792976 /nfs/dbraw/zinc/79/29/76/318792976.db2.gz OLFKQJAYFXMEOM-CYBMUJFWSA-N 1 0 348.403 1.560 20 5 EDBDRO C[NH+](C)C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CCO1 ZINC000266335005 443100562 /nfs/dbraw/zinc/10/05/62/443100562.db2.gz HKIMAOUJFFEVAF-LLVKDONJSA-N 1 0 331.319 1.963 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000268810146 443115880 /nfs/dbraw/zinc/11/58/80/443115880.db2.gz RBLKTGDCTVQSER-LBPRGKRZSA-N 1 0 327.406 1.618 20 5 EDBDRO Cc1c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000185042607 443124096 /nfs/dbraw/zinc/12/40/96/443124096.db2.gz BDVXRGJFXRLNQN-ZWKOPEQDSA-N 1 0 334.332 1.621 20 5 EDBDRO Cc1cnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000268850697 443127641 /nfs/dbraw/zinc/12/76/41/443127641.db2.gz QNDBZKVOKJCSNL-CYBMUJFWSA-N 1 0 333.392 1.041 20 5 EDBDRO O=C(NC[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1)[C@H]1CCC[NH2+]1 ZINC000261775617 443169108 /nfs/dbraw/zinc/16/91/08/443169108.db2.gz XHWPYBVBTYVDDN-CHWSQXEVSA-N 1 0 333.392 1.074 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000261819011 443171034 /nfs/dbraw/zinc/17/10/34/443171034.db2.gz HFTMAPDANAMVCU-GWCFXTLKSA-N 1 0 341.433 1.817 20 5 EDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237527981 443175234 /nfs/dbraw/zinc/17/52/34/443175234.db2.gz GKWVIAGWJGWQOW-RYUDHWBXSA-N 1 0 329.360 1.732 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000237607819 443177395 /nfs/dbraw/zinc/17/73/95/443177395.db2.gz ZXCZMGQRDMWVAW-GMXVVIOVSA-N 1 0 334.376 1.051 20 5 EDBDRO CC(C)([NH3+])C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269029517 443177921 /nfs/dbraw/zinc/17/79/21/443177921.db2.gz IBDPYOWMGVFDFT-UHFFFAOYSA-N 1 0 334.298 1.879 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000262351825 443190930 /nfs/dbraw/zinc/19/09/30/443190930.db2.gz VGRHQHNLWLCFKU-WDEREUQCSA-N 1 0 327.406 1.562 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H]1CCC[NH2+]1 ZINC000262392042 443192787 /nfs/dbraw/zinc/19/27/87/443192787.db2.gz BJKCAMBVNYCKBX-SNVBAGLBSA-N 1 0 329.378 1.024 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000236801452 443148963 /nfs/dbraw/zinc/14/89/63/443148963.db2.gz PSNTVJMUNZANJQ-LBPRGKRZSA-N 1 0 329.422 1.897 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCCC[NH+](C)C ZINC000299512746 318909453 /nfs/dbraw/zinc/90/94/53/318909453.db2.gz TYCGEIOIACYXJP-GFCCVEGCSA-N 1 0 336.392 1.171 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCCC[NH+](C)C ZINC000299512750 318909597 /nfs/dbraw/zinc/90/95/97/318909597.db2.gz TYCGEIOIACYXJP-LBPRGKRZSA-N 1 0 336.392 1.171 20 5 EDBDRO COC(=O)[C@@H](C)C[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266523945 443155953 /nfs/dbraw/zinc/15/59/53/443155953.db2.gz JRYFUUPMYFEZJK-NSHDSACASA-N 1 0 326.349 1.723 20 5 EDBDRO O=C(CC[NH+]1CCC(CO)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185181778 443156725 /nfs/dbraw/zinc/15/67/25/443156725.db2.gz USMYYZUSXUCMJH-UHFFFAOYSA-N 1 0 325.340 1.767 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc([N+](=O)[O-])c1 ZINC000245442932 443228303 /nfs/dbraw/zinc/22/83/03/443228303.db2.gz IKCKNFQXXFPVMZ-KGLIPLIRSA-N 1 0 347.371 1.690 20 5 EDBDRO COC(=O)CN1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000185649625 443232561 /nfs/dbraw/zinc/23/25/61/443232561.db2.gz CKGPPAQWSLWVMT-UHFFFAOYSA-N 1 0 341.795 1.975 20 5 EDBDRO CN(CC(C)(C)C[NH3+])C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262597764 443202624 /nfs/dbraw/zinc/20/26/24/443202624.db2.gz ZNCYXIOZSIXJMY-UHFFFAOYSA-N 1 0 332.360 1.906 20 5 EDBDRO C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1CO ZINC000190894154 443206173 /nfs/dbraw/zinc/20/61/73/443206173.db2.gz UMBGBADLPBDNMF-ZJUUUORDSA-N 1 0 327.768 1.747 20 5 EDBDRO Cc1ccc(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000343417821 318989980 /nfs/dbraw/zinc/98/99/80/318989980.db2.gz FBEYUEKCTRCLTM-GUYCJALGSA-N 1 0 343.387 1.698 20 5 EDBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000185546408 443217292 /nfs/dbraw/zinc/21/72/92/443217292.db2.gz VORHKIZNKMYBJW-AWEZNQCLSA-N 1 0 349.435 1.420 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000411247368 319174612 /nfs/dbraw/zinc/17/46/12/319174612.db2.gz UXUDJJHXNXISKM-OAHLLOKOSA-N 1 0 348.403 1.607 20 5 EDBDRO Cc1cc(NC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000411679296 319195226 /nfs/dbraw/zinc/19/52/26/319195226.db2.gz VZQIOMFNRMHVCQ-CYBMUJFWSA-N 1 0 348.403 1.690 20 5 EDBDRO C[NH+]1CCN(C[C@@H](O)COc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000414125063 319318027 /nfs/dbraw/zinc/31/80/27/319318027.db2.gz LRDMBLOUSJBUDY-CYBMUJFWSA-N 1 0 346.387 1.130 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)cccc1[N+](=O)[O-] ZINC000415823227 319374683 /nfs/dbraw/zinc/37/46/83/319374683.db2.gz PGSYIVMIXGWDEA-ZDUSSCGKSA-N 1 0 334.376 1.475 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185863329 443271535 /nfs/dbraw/zinc/27/15/35/443271535.db2.gz OADDAYUQWLKSFH-LBPRGKRZSA-N 1 0 327.406 1.557 20 5 EDBDRO C[C@@H]1CN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000191421986 443292820 /nfs/dbraw/zinc/29/28/20/443292820.db2.gz MDJFYVJOBJOMEI-OAHLLOKOSA-N 1 0 334.420 1.438 20 5 EDBDRO COc1ccc(S(=O)(=O)NC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000416511461 319436744 /nfs/dbraw/zinc/43/67/44/319436744.db2.gz XJVHDCHWQUMAFF-UHFFFAOYSA-N 1 0 331.394 1.222 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](Nc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000264555185 443324687 /nfs/dbraw/zinc/32/46/87/443324687.db2.gz DMFLTXZBEXKATP-KXQLTZBTSA-N 1 0 349.387 1.914 20 5 EDBDRO CCc1n[nH]c(C(=O)NC[C@]2([NH+](C)C)CCSC2)c1[N+](=O)[O-] ZINC000267109239 443344477 /nfs/dbraw/zinc/34/44/77/443344477.db2.gz MYQVETFDGPPBTJ-CYBMUJFWSA-N 1 0 327.410 1.047 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000264454753 443297573 /nfs/dbraw/zinc/29/75/73/443297573.db2.gz DEXUIAPYTWCJRR-ZDUSSCGKSA-N 1 0 336.392 1.234 20 5 EDBDRO COc1cc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000267142946 443355899 /nfs/dbraw/zinc/35/58/99/443355899.db2.gz UWRFHEJIRYZLTF-HNNXBMFYSA-N 1 0 339.417 1.771 20 5 EDBDRO COC(=O)c1cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000264663903 443365801 /nfs/dbraw/zinc/36/58/01/443365801.db2.gz UORUIONSIZVDFM-LLVKDONJSA-N 1 0 347.371 1.596 20 5 EDBDRO C[C@@H]1CN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C[C@@H]1[NH+](C)C ZINC000272875671 443475172 /nfs/dbraw/zinc/47/51/72/443475172.db2.gz UPABLSPORRXGRI-XFBWCDHKSA-N 1 0 346.387 1.496 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC000270915387 443484131 /nfs/dbraw/zinc/48/41/31/443484131.db2.gz BZBCACFPLKZBIU-GFCCVEGCSA-N 1 0 335.339 1.500 20 5 EDBDRO O=C1C[C@]2(CC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)CN1 ZINC000278871263 443468184 /nfs/dbraw/zinc/46/81/84/443468184.db2.gz MERKZCUIFOMIKN-MRXNPFEDSA-N 1 0 343.343 1.357 20 5 EDBDRO COC[C@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]C1 ZINC000423845375 319821694 /nfs/dbraw/zinc/82/16/94/319821694.db2.gz MOJZTGSSINWTDZ-AWEZNQCLSA-N 1 0 327.768 1.491 20 5 EDBDRO C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272263938 443572867 /nfs/dbraw/zinc/57/28/67/443572867.db2.gz KNBXBURNQHRZOO-OCCSQVGLSA-N 1 0 343.387 1.958 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000273125529 443543765 /nfs/dbraw/zinc/54/37/65/443543765.db2.gz YXHAAKXAINONPC-DOMZBBRYSA-N 1 0 348.403 1.042 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](CO)C(C)(C)C ZINC000265425243 443638551 /nfs/dbraw/zinc/63/85/51/443638551.db2.gz KURUYNDBQBQPKW-AWEZNQCLSA-N 1 0 339.392 1.929 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272401824 443614690 /nfs/dbraw/zinc/61/46/90/443614690.db2.gz ZNTILCKSAMUCGA-DOMZBBRYSA-N 1 0 346.387 1.394 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000440358354 320073897 /nfs/dbraw/zinc/07/38/97/320073897.db2.gz NMTVMIGTTFPPTF-AAEUAGOBSA-N 1 0 341.433 1.824 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000440809437 320080994 /nfs/dbraw/zinc/08/09/94/320080994.db2.gz MYKAWFLNFKOMIT-GFCCVEGCSA-N 1 0 327.406 1.653 20 5 EDBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[NH+](C)C ZINC000445517446 320130195 /nfs/dbraw/zinc/13/01/95/320130195.db2.gz CJNDJZNGDUEFOV-VIFPVBQESA-N 1 0 344.209 1.966 20 5 EDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000449702789 320200240 /nfs/dbraw/zinc/20/02/40/320200240.db2.gz DNNFUJGETXXYGS-AWEZNQCLSA-N 1 0 344.371 1.967 20 5 EDBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449741358 320203307 /nfs/dbraw/zinc/20/33/07/320203307.db2.gz KAWQGBGRPLHZAF-ABAIWWIYSA-N 1 0 327.344 1.214 20 5 EDBDRO CC(C)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1(CO)CCCC1 ZINC000459518950 320348447 /nfs/dbraw/zinc/34/84/47/320348447.db2.gz BMULNHKJGKXRBX-CABCVRRESA-N 1 0 340.424 1.319 20 5 EDBDRO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000283748170 443704950 /nfs/dbraw/zinc/70/49/50/443704950.db2.gz KAWGPBDWBMTGHX-KGLIPLIRSA-N 1 0 328.376 1.845 20 5 EDBDRO COC(=O)[C@@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000280850651 443758584 /nfs/dbraw/zinc/75/85/84/443758584.db2.gz XZOBIJUDANYVRZ-DGCLKSJQSA-N 1 0 338.360 1.723 20 5 EDBDRO C[C@@H](O)C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H](C)CO ZINC000276816426 443838382 /nfs/dbraw/zinc/83/83/82/443838382.db2.gz VPMVJRPVDJNYES-VHSXEESVSA-N 1 0 347.209 1.921 20 5 EDBDRO C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285107299 443858520 /nfs/dbraw/zinc/85/85/20/443858520.db2.gz KQGAOEWLLDMEEI-ZDUSSCGKSA-N 1 0 335.452 1.854 20 5 EDBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000288529298 443909365 /nfs/dbraw/zinc/90/93/65/443909365.db2.gz ODFRHJYFUHAZHP-NSHDSACASA-N 1 0 341.795 1.825 20 5 EDBDRO CC[C@H](CO)[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000288530997 443909477 /nfs/dbraw/zinc/90/94/77/443909477.db2.gz UPRHXGBDOQMYBN-LLVKDONJSA-N 1 0 347.375 1.137 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000298967902 443915802 /nfs/dbraw/zinc/91/58/02/443915802.db2.gz FUQTVNLQOPPZDG-OLZOCXBDSA-N 1 0 347.371 1.723 20 5 EDBDRO Cc1c(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)cccc1[N+](=O)[O-] ZINC000293123751 443930741 /nfs/dbraw/zinc/93/07/41/443930741.db2.gz ZJXLIEPQOAXPKR-HNNXBMFYSA-N 1 0 331.376 1.824 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000288881213 444005314 /nfs/dbraw/zinc/00/53/14/444005314.db2.gz MBTZOPWLPVQZBD-UHFFFAOYSA-N 1 0 326.426 1.599 20 5 EDBDRO COCCOCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000289014580 444034815 /nfs/dbraw/zinc/03/48/15/444034815.db2.gz NKRMYRHRPPWYAN-UHFFFAOYSA-N 1 0 339.392 1.827 20 5 EDBDRO Cc1ccc2c(c1)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCO2 ZINC000285584977 444038250 /nfs/dbraw/zinc/03/82/50/444038250.db2.gz OONBOYLAYRSKRF-HNNXBMFYSA-N 1 0 332.360 1.355 20 5 EDBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000549204048 320903915 /nfs/dbraw/zinc/90/39/15/320903915.db2.gz FPDZFSDNJWOAAN-UHFFFAOYSA-N 1 0 339.396 1.281 20 5 EDBDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000285499661 444008675 /nfs/dbraw/zinc/00/86/75/444008675.db2.gz FCWOYLOWQSDBFH-GFCCVEGCSA-N 1 0 325.369 1.392 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN(C)CCC[N@H+](C)CCN(C)C ZINC000289169412 444068524 /nfs/dbraw/zinc/06/85/24/444068524.db2.gz FEYIEMSUNRAGPD-UHFFFAOYSA-N 1 0 338.452 1.919 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000558142461 321011389 /nfs/dbraw/zinc/01/13/89/321011389.db2.gz QMASJHFNHFFLIW-UHFFFAOYSA-N 1 0 347.375 1.199 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)CCNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000285734447 444090336 /nfs/dbraw/zinc/09/03/36/444090336.db2.gz KQCWLYMRHCYDDR-HOTGVXAUSA-N 1 0 348.403 1.328 20 5 EDBDRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000565918318 321206241 /nfs/dbraw/zinc/20/62/41/321206241.db2.gz YDBMGDSICKMEBG-UHFFFAOYSA-N 1 0 348.403 1.690 20 5 EDBDRO Cc1c(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)cccc1[N+](=O)[O-] ZINC000566772730 321233705 /nfs/dbraw/zinc/23/37/05/321233705.db2.gz LFDHPFBFDXDVFZ-UHFFFAOYSA-N 1 0 332.360 1.514 20 5 EDBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000567685892 321252311 /nfs/dbraw/zinc/25/23/11/321252311.db2.gz PSCVTQANVQEMER-YUTCNCBUSA-N 1 0 326.397 1.336 20 5 EDBDRO CC(C)(C)NC(=O)CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000570564121 321348060 /nfs/dbraw/zinc/34/80/60/321348060.db2.gz HSADAWPMJFPUAD-ZDUSSCGKSA-N 1 0 339.392 1.229 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000285869124 444135566 /nfs/dbraw/zinc/13/55/66/444135566.db2.gz IYBCPBWNOGNHAN-CJNGLKHVSA-N 1 0 335.404 1.898 20 5 EDBDRO COc1cc(OCC(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286007844 444175114 /nfs/dbraw/zinc/17/51/14/444175114.db2.gz JCTXTOJFXLUCCG-LYOVBCGYSA-N 1 0 337.376 1.485 20 5 EDBDRO CC[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000575954679 321535853 /nfs/dbraw/zinc/53/58/53/321535853.db2.gz WDBMOJOEWFBZTD-LLVKDONJSA-N 1 0 342.421 1.163 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289632585 444183739 /nfs/dbraw/zinc/18/37/39/444183739.db2.gz KNVXSGQCGZKEPG-UHFFFAOYSA-N 1 0 330.772 1.684 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000576457415 321567666 /nfs/dbraw/zinc/56/76/66/321567666.db2.gz IFUGOUUDMSCPHL-AWEZNQCLSA-N 1 0 331.376 1.696 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000290162721 444250287 /nfs/dbraw/zinc/25/02/87/444250287.db2.gz OEOOVQATHUWYEY-VXGBXAGGSA-N 1 0 335.360 1.050 20 5 EDBDRO COC[C@@]1(C(=O)OC)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000296366348 444223902 /nfs/dbraw/zinc/22/39/02/444223902.db2.gz RFIWTCNRLJXXIJ-MRXNPFEDSA-N 1 0 338.360 1.485 20 5 EDBDRO Cn1cc(C[NH+]2CC(CC(N)=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000297470107 444289771 /nfs/dbraw/zinc/28/97/71/444289771.db2.gz SHXWJOVTDBFQLQ-UHFFFAOYSA-N 1 0 329.360 1.303 20 5 EDBDRO C[NH+](C)CCn1nccc1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000297510936 444295140 /nfs/dbraw/zinc/29/51/40/444295140.db2.gz USLKDGVUYORPRF-UHFFFAOYSA-N 1 0 332.364 1.675 20 5 EDBDRO CC[C@]1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[NH2+]C1 ZINC000324855191 444358903 /nfs/dbraw/zinc/35/89/03/444358903.db2.gz FUNKREMFUQXZTD-KRWDZBQOSA-N 1 0 332.404 1.633 20 5 EDBDRO COc1cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])cc1OC ZINC000325304575 444364391 /nfs/dbraw/zinc/36/43/91/444364391.db2.gz VGRVDCVVYYPLTR-NEPJUHHUSA-N 1 0 337.376 1.887 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)[NH2+]Cc2c[nH]c3nccnc23)cc1 ZINC000290827402 444327032 /nfs/dbraw/zinc/32/70/32/444327032.db2.gz HODHABNCTDGMCR-DZGCQCFKSA-N 1 0 343.343 1.050 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000297752509 444329134 /nfs/dbraw/zinc/32/91/34/444329134.db2.gz ULHGPGYESGZFPI-OAHLLOKOSA-N 1 0 338.364 1.032 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000298067081 444404590 /nfs/dbraw/zinc/40/45/90/444404590.db2.gz JGBHWLUZYHSCTO-CYBMUJFWSA-N 1 0 348.403 1.751 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000298139295 444427133 /nfs/dbraw/zinc/42/71/33/444427133.db2.gz ODCBHLJOUROOLV-GFCCVEGCSA-N 1 0 336.392 1.607 20 5 EDBDRO COc1cc(CCNC(=O)N(C)CCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000580172163 322018103 /nfs/dbraw/zinc/01/81/03/322018103.db2.gz RVKGVYUCUBRGKV-UHFFFAOYSA-N 1 0 340.380 1.145 20 5 EDBDRO CCCC[NH+]1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000580640513 322077114 /nfs/dbraw/zinc/07/71/14/322077114.db2.gz BLNPINCWCRGLGA-HNNXBMFYSA-N 1 0 325.413 1.006 20 5 EDBDRO C[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000580808382 322096829 /nfs/dbraw/zinc/09/68/29/322096829.db2.gz FRQRLDJYDOQFLW-CABCVRRESA-N 1 0 347.415 1.879 20 5 EDBDRO Cc1c(C[NH+]2CCC([C@H](O)C(=O)NC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000581862039 322224723 /nfs/dbraw/zinc/22/47/23/322224723.db2.gz KNJZYLOKQRALGC-KRWDZBQOSA-N 1 0 347.415 1.755 20 5 EDBDRO CC(C)(O)C(C)(C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000343709400 444536000 /nfs/dbraw/zinc/53/60/00/444536000.db2.gz KIVDOKXJMKTINY-UHFFFAOYSA-N 1 0 330.406 1.508 20 5 EDBDRO Cc1sc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000342517452 444727310 /nfs/dbraw/zinc/72/73/10/444727310.db2.gz VFWRFVXNQPMCEH-KOLCDFICSA-N 1 0 347.462 1.925 20 5 EDBDRO CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCC[N@H+](C)C1 ZINC000342433612 444689976 /nfs/dbraw/zinc/68/99/76/444689976.db2.gz IABYQHOFTXBMBM-JTQLQIEISA-N 1 0 327.331 1.968 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3C[C@@H]4CC[C@@H](O)[C@H]4C3)n2)cc1 ZINC000344031698 444740150 /nfs/dbraw/zinc/74/01/50/444740150.db2.gz CUANVGKVBXKIDT-FPMFFAJLSA-N 1 0 330.344 1.848 20 5 EDBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)Cn1cnc([N+](=O)[O-])n1)[NH+](C)C ZINC000344259443 444867813 /nfs/dbraw/zinc/86/78/13/444867813.db2.gz COBOITFXXOPBNG-SWLSCSKDSA-N 1 0 346.391 1.302 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000342791357 444869587 /nfs/dbraw/zinc/86/95/87/444869587.db2.gz ULMUYZDEMOVHHX-ZDUSSCGKSA-N 1 0 348.403 1.945 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000330665295 445087037 /nfs/dbraw/zinc/08/70/37/445087037.db2.gz WRQYEPLKLPQSKQ-HNNXBMFYSA-N 1 0 343.387 1.947 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCCC[C@H]1CCO ZINC000342031242 445133862 /nfs/dbraw/zinc/13/38/62/445133862.db2.gz KPPHEYVMXQTVGY-GJZGRUSLSA-N 1 0 338.404 1.962 20 5 EDBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)NCCF ZINC000337482120 445099407 /nfs/dbraw/zinc/09/94/07/445099407.db2.gz RBXRFNXKYVVPOC-WDEREUQCSA-N 1 0 340.355 1.376 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343316062 445195696 /nfs/dbraw/zinc/19/56/96/445195696.db2.gz DOLAWWPKAQTIHZ-OCCSQVGLSA-N 1 0 335.408 1.021 20 5 EDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000348146444 445288518 /nfs/dbraw/zinc/28/85/18/445288518.db2.gz FGYYPPYTKSSPGS-UONOGXRCSA-N 1 0 334.376 1.428 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000348144460 445288736 /nfs/dbraw/zinc/28/87/36/445288736.db2.gz AZHJJHOBZAFOLI-OLZOCXBDSA-N 1 0 334.376 1.346 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000351902360 445364475 /nfs/dbraw/zinc/36/44/75/445364475.db2.gz ITFPJRWFZRNYBT-CYBMUJFWSA-N 1 0 341.433 1.926 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000357090407 445421993 /nfs/dbraw/zinc/42/19/93/445421993.db2.gz VJYAWAHSDLJAIO-VXGBXAGGSA-N 1 0 334.376 1.083 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000362441839 445383996 /nfs/dbraw/zinc/38/39/96/445383996.db2.gz LEILIRNOJZMWAU-HZPDHXFCSA-N 1 0 349.387 1.031 20 5 EDBDRO Cc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000354787565 445388868 /nfs/dbraw/zinc/38/88/68/445388868.db2.gz DEYSQGMTOWIQEG-UHFFFAOYSA-N 1 0 349.366 1.969 20 5 EDBDRO Cc1ccc(NCCCNC(=O)CCOC2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000349026299 445479269 /nfs/dbraw/zinc/47/92/69/445479269.db2.gz JUDFAIICFGSSQZ-UHFFFAOYSA-N 1 0 336.392 1.200 20 5 EDBDRO COc1ccc(OCC[N@H+](C)CCNC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000348916619 445440818 /nfs/dbraw/zinc/44/08/18/445440818.db2.gz FMTQNKJZVXEETM-UHFFFAOYSA-N 1 0 340.380 1.185 20 5 EDBDRO Cn1nccc1[C@H]1[C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC[N@@H+]1C ZINC000348948857 445450770 /nfs/dbraw/zinc/45/07/70/445450770.db2.gz JPLHLEGAVPQIPA-IAQYHMDHSA-N 1 0 346.391 1.469 20 5 EDBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)C2CCOCC2)c2c(c1)COCO2 ZINC000359844771 445457802 /nfs/dbraw/zinc/45/78/02/445457802.db2.gz KURLLCHCJFWOKO-HNNXBMFYSA-N 1 0 338.360 1.338 20 5 EDBDRO Cc1sc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000363103949 445680064 /nfs/dbraw/zinc/68/00/64/445680064.db2.gz LJYQTZCIFSWQSI-MNOVXSKESA-N 1 0 325.390 1.558 20 5 EDBDRO CC[C@H](NC(=O)NC[C@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358707249 445732257 /nfs/dbraw/zinc/73/22/57/445732257.db2.gz ONQHYQCRJWXNCC-GOEBONIOSA-N 1 0 336.392 1.412 20 5 EDBDRO O=C(NCCCO)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000350147306 445779109 /nfs/dbraw/zinc/77/91/09/445779109.db2.gz PEYINZHATMQLLF-UTCJRWHESA-N 1 0 347.415 1.819 20 5 EDBDRO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000361553979 445815947 /nfs/dbraw/zinc/81/59/47/445815947.db2.gz DHQMMWSRNBMJFY-DLBZAZTESA-N 1 0 331.416 1.988 20 5 EDBDRO Cc1cc(OCC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000369079839 445916013 /nfs/dbraw/zinc/91/60/13/445916013.db2.gz YLBRUDIIFLHRQG-CQSZACIVSA-N 1 0 333.388 1.979 20 5 EDBDRO COc1cc(C(=O)NCCC[NH2+]C(C)C)cc([N+](=O)[O-])c1OC ZINC000582604781 325884443 /nfs/dbraw/zinc/88/44/43/325884443.db2.gz DPFOOIMNCREONZ-UHFFFAOYSA-N 1 0 325.365 1.730 20 5 EDBDRO CC(C)c1nc2c(n1C)CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)C2 ZINC000350903351 445947119 /nfs/dbraw/zinc/94/71/19/445947119.db2.gz TUUVXCIPTKVFFJ-UHFFFAOYSA-N 1 0 344.375 1.627 20 5 EDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000359193198 446020223 /nfs/dbraw/zinc/02/02/23/446020223.db2.gz IMENUKJVRDIYBM-INIZCTEOSA-N 1 0 343.387 1.995 20 5 EDBDRO CN1CCC([N@@H+]2CC[C@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000369269034 446034064 /nfs/dbraw/zinc/03/40/64/446034064.db2.gz VHOXLCBNMLNCQE-HNNXBMFYSA-N 1 0 346.431 1.422 20 5 EDBDRO Cn1ccnc1[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000373116433 446040028 /nfs/dbraw/zinc/04/00/28/446040028.db2.gz VYELNXAPUBXXRD-ZDUSSCGKSA-N 1 0 331.376 1.370 20 5 EDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000583202128 326025549 /nfs/dbraw/zinc/02/55/49/326025549.db2.gz RDDJSHQGTUJGQL-CYBMUJFWSA-N 1 0 348.403 1.113 20 5 EDBDRO Cc1cc(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc([N+](=O)[O-])c1 ZINC000583498964 326085324 /nfs/dbraw/zinc/08/53/24/326085324.db2.gz GJVYAQSBOSQYKX-AWEZNQCLSA-N 1 0 344.375 1.431 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000361935236 446083703 /nfs/dbraw/zinc/08/37/03/446083703.db2.gz BGPUAOHVLFCIQH-QMTHXVAHSA-N 1 0 329.360 1.637 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(n3cccn3)CC2)c1 ZINC000361942603 446093104 /nfs/dbraw/zinc/09/31/04/446093104.db2.gz ICEZQQHQXQERTH-INIZCTEOSA-N 1 0 346.387 1.868 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000356899458 446106181 /nfs/dbraw/zinc/10/61/81/446106181.db2.gz SDGDFWCIRMDWBR-RYUDHWBXSA-N 1 0 339.367 1.190 20 5 EDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000362024265 446160422 /nfs/dbraw/zinc/16/04/22/446160422.db2.gz JGRDTYCEWQECQH-HEHGZKQESA-N 1 0 340.376 1.118 20 5 EDBDRO CNC(=O)CN1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000365375635 446176229 /nfs/dbraw/zinc/17/62/29/446176229.db2.gz GNAVJPIRTMGVNS-UHFFFAOYSA-N 1 0 340.811 1.502 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359420685 446213710 /nfs/dbraw/zinc/21/37/10/446213710.db2.gz UQOUBOUFBCCXNA-HBNTYKKESA-N 1 0 339.779 1.693 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000373563149 446261765 /nfs/dbraw/zinc/26/17/65/446261765.db2.gz UANAALXBSGKURV-CJNGLKHVSA-N 1 0 333.388 1.964 20 5 EDBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000366590915 446272366 /nfs/dbraw/zinc/27/23/66/446272366.db2.gz STFUTYAJYAKAOK-ZDUSSCGKSA-N 1 0 337.351 1.717 20 5 EDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000362312274 446314951 /nfs/dbraw/zinc/31/49/51/446314951.db2.gz INZSPCDCDKFUIQ-CYBMUJFWSA-N 1 0 337.424 1.717 20 5 EDBDRO CCn1nc2c(cc1=O)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000366706217 446317143 /nfs/dbraw/zinc/31/71/43/446317143.db2.gz BUNWWLYGYMEHKT-MRXNPFEDSA-N 1 0 344.371 1.263 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000370674163 446381217 /nfs/dbraw/zinc/38/12/17/446381217.db2.gz SODRQAFBJQQSMZ-STQMWFEESA-N 1 0 339.417 1.442 20 5 EDBDRO C[NH+]1CCC(n2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000365874850 446381961 /nfs/dbraw/zinc/38/19/61/446381961.db2.gz NPEFMNNAXZUUPP-UHFFFAOYSA-N 1 0 343.387 2.239 20 5 EDBDRO C[C@H]1[NH2+]CCC[C@@H]1Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000420246047 446429444 /nfs/dbraw/zinc/42/94/44/446429444.db2.gz MQMXDACBKYUVOJ-HIFRSBDPSA-N 1 0 334.420 1.979 20 5 EDBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418083250 446435873 /nfs/dbraw/zinc/43/58/73/446435873.db2.gz KSGDDDPRDQWDQM-NSHDSACASA-N 1 0 346.391 1.803 20 5 EDBDRO CN(CC(=O)N(C1CC1)C1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000370785595 446440844 /nfs/dbraw/zinc/44/08/44/446440844.db2.gz FLIDRVYJABUTGD-UHFFFAOYSA-N 1 0 332.404 1.774 20 5 EDBDRO NS(=O)(=O)c1ccc(NC[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420286690 446451064 /nfs/dbraw/zinc/45/10/64/446451064.db2.gz QPXQTRAAXLEZSL-VHSXEESVSA-N 1 0 328.394 1.172 20 5 EDBDRO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000420291681 446456238 /nfs/dbraw/zinc/45/62/38/446456238.db2.gz VYFFGEPPOBAKEA-ZJUUUORDSA-N 1 0 328.394 1.172 20 5 EDBDRO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367045325 446486360 /nfs/dbraw/zinc/48/63/60/446486360.db2.gz KQQLVIBTHIXSRT-WMLDXEAASA-N 1 0 346.431 1.693 20 5 EDBDRO O=C(NC1CC[NH2+]CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418311942 446494714 /nfs/dbraw/zinc/49/47/14/446494714.db2.gz RTMGEKAUPFSZJI-UHFFFAOYSA-N 1 0 348.403 1.900 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@@H]21 ZINC000375024811 446524307 /nfs/dbraw/zinc/52/43/07/446524307.db2.gz YADZMHCIEAMINZ-LRDDRELGSA-N 1 0 333.388 1.987 20 5 EDBDRO O=C(CC[N@H+]1CCSC[C@@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000411424884 446535195 /nfs/dbraw/zinc/53/51/95/446535195.db2.gz LXBBGUBIIVJMMS-ZDUSSCGKSA-N 1 0 325.390 1.333 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000375042316 446537525 /nfs/dbraw/zinc/53/75/25/446537525.db2.gz SBFHQVXFCAQIAP-SWLSCSKDSA-N 1 0 346.387 1.394 20 5 EDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418432278 446543231 /nfs/dbraw/zinc/54/32/31/446543231.db2.gz TYBYYVSKAQKMPV-LRDDRELGSA-N 1 0 348.403 1.885 20 5 EDBDRO C[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367434328 446546394 /nfs/dbraw/zinc/54/63/94/446546394.db2.gz GPUIWUAHQDSIDB-HIFRSBDPSA-N 1 0 333.436 1.639 20 5 EDBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453336423 446552851 /nfs/dbraw/zinc/55/28/51/446552851.db2.gz YBDFWHMTLQAWKV-LXTVHRRPSA-N 1 0 338.408 1.916 20 5 EDBDRO COc1cc(C[N@@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000367931885 446610533 /nfs/dbraw/zinc/61/05/33/446610533.db2.gz YTOGYTOYGODYME-NEPJUHHUSA-N 1 0 335.360 1.180 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000418607703 446613271 /nfs/dbraw/zinc/61/32/71/446613271.db2.gz RAXJXSHSPXWKJI-KGLIPLIRSA-N 1 0 347.419 1.567 20 5 EDBDRO [NH3+]C1(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000420406836 446580106 /nfs/dbraw/zinc/58/01/06/446580106.db2.gz SHBFZIYXQOYCSH-UHFFFAOYSA-N 1 0 341.433 1.718 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000420423372 446598968 /nfs/dbraw/zinc/59/89/68/446598968.db2.gz OAMOQJAEIFVHPE-AOOOYVTPSA-N 1 0 331.419 1.276 20 5 EDBDRO C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420428969 446603996 /nfs/dbraw/zinc/60/39/96/446603996.db2.gz ZAKQNFOGKYDFNB-ZJUUUORDSA-N 1 0 347.824 1.996 20 5 EDBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000420430842 446605845 /nfs/dbraw/zinc/60/58/45/446605845.db2.gz WJKQMVGKTJNPHK-OAHLLOKOSA-N 1 0 339.417 1.293 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](CC[NH3+])C(F)F)c1 ZINC000420460637 446639636 /nfs/dbraw/zinc/63/96/36/446639636.db2.gz LHNLXUPMTUIMAP-SECBINFHSA-N 1 0 337.348 1.472 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000420477553 446650018 /nfs/dbraw/zinc/65/00/18/446650018.db2.gz ZXFCIWSCVMAGTA-NEPJUHHUSA-N 1 0 327.406 1.699 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C[C@H]21 ZINC000375233255 446658927 /nfs/dbraw/zinc/65/89/27/446658927.db2.gz JPMHKKIOIUPPBZ-QMTHXVAHSA-N 1 0 329.360 1.774 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420451497 446627013 /nfs/dbraw/zinc/62/70/13/446627013.db2.gz ICZHNSWDGLNPNB-OLZOCXBDSA-N 1 0 339.417 1.605 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371245831 446712749 /nfs/dbraw/zinc/71/27/49/446712749.db2.gz YXRRQQAUVWNSDS-XJKSGUPXSA-N 1 0 333.388 1.964 20 5 EDBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c([N+](=O)[O-])c1 ZINC000411943320 446752792 /nfs/dbraw/zinc/75/27/92/446752792.db2.gz QHLZNWZFLBELGY-GFCCVEGCSA-N 1 0 337.376 1.392 20 5 EDBDRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423952867 446796293 /nfs/dbraw/zinc/79/62/93/446796293.db2.gz QLOAMZLUOUNTIR-UHFFFAOYSA-N 1 0 332.404 1.541 20 5 EDBDRO Cc1ncccc1O[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000375458884 446814245 /nfs/dbraw/zinc/81/42/45/446814245.db2.gz PAHNEJRWRWZNQR-OAHLLOKOSA-N 1 0 344.371 1.613 20 5 EDBDRO Cc1sc(C(=O)N2CCC[N@H+](CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000368419486 446850568 /nfs/dbraw/zinc/85/05/68/446850568.db2.gz LMNJODWQJUOOQF-UHFFFAOYSA-N 1 0 341.433 1.884 20 5 EDBDRO Cc1cc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000368390887 446833150 /nfs/dbraw/zinc/83/31/50/446833150.db2.gz UGWKQJQDBUNDQE-ZIAGYGMSSA-N 1 0 334.376 1.888 20 5 EDBDRO Cn1ccnc1[C@@H]1CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000368428896 446857063 /nfs/dbraw/zinc/85/70/63/446857063.db2.gz JNWSROGMAGZKLY-HOCLYGCPSA-N 1 0 346.387 1.905 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1F ZINC000412233375 446906625 /nfs/dbraw/zinc/90/66/25/446906625.db2.gz TWMFDWAHTVCWID-MNOVXSKESA-N 1 0 339.367 1.836 20 5 EDBDRO CNc1nc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000454743389 446960203 /nfs/dbraw/zinc/96/02/03/446960203.db2.gz PNZCLKUHEAWQHO-NEPJUHHUSA-N 1 0 335.408 1.882 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](O)CC23CCC3)c1 ZINC000420993678 446972163 /nfs/dbraw/zinc/97/21/63/446972163.db2.gz MCICOTZEJXXLKY-CABCVRRESA-N 1 0 336.388 1.714 20 5 EDBDRO CC(C)(O)C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413119368 447014445 /nfs/dbraw/zinc/01/44/45/447014445.db2.gz XLNYSCHTEMQWGE-UHFFFAOYSA-N 1 0 348.325 1.902 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000419156572 446973536 /nfs/dbraw/zinc/97/35/36/446973536.db2.gz CGMOQCVWWQLNLY-UGFHNGPFSA-N 1 0 348.403 1.419 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000419156570 446974019 /nfs/dbraw/zinc/97/40/19/446974019.db2.gz CGMOQCVWWQLNLY-CQDKDKBSSA-N 1 0 348.403 1.419 20 5 EDBDRO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000444391154 447101054 /nfs/dbraw/zinc/10/10/54/447101054.db2.gz JHHUUJYGTUDNSG-SNVBAGLBSA-N 1 0 327.406 1.574 20 5 EDBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000455330099 447109965 /nfs/dbraw/zinc/10/99/65/447109965.db2.gz JVNAQARNYLZDHL-ZDUSSCGKSA-N 1 0 340.355 1.702 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000375960987 447176030 /nfs/dbraw/zinc/17/60/30/447176030.db2.gz ZKBDAOKUVXOLMK-KRWDZBQOSA-N 1 0 341.367 1.977 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000389784656 447485523 /nfs/dbraw/zinc/48/55/23/447485523.db2.gz GFVWMLGXFHFWGH-TXEJJXNPSA-N 1 0 325.390 1.215 20 5 EDBDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000420129441 447621743 /nfs/dbraw/zinc/62/17/43/447621743.db2.gz UXZGLNVCNLXTIC-ZDUSSCGKSA-N 1 0 336.392 1.187 20 5 EDBDRO C[NH2+]C[C@@H](C)CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000420201990 447668215 /nfs/dbraw/zinc/66/82/15/447668215.db2.gz NRXLDXRSAAVUDC-LLVKDONJSA-N 1 0 331.376 1.827 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000422845971 447767973 /nfs/dbraw/zinc/76/79/73/447767973.db2.gz DHWTZSNLGYRPHR-XHDPSFHLSA-N 1 0 349.387 1.971 20 5 EDBDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422927219 447774000 /nfs/dbraw/zinc/77/40/00/447774000.db2.gz YKGCEZNBWCFTKD-HZPDHXFCSA-N 1 0 335.404 1.801 20 5 EDBDRO [NH3+]C[C@@H]1CCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423032320 447794817 /nfs/dbraw/zinc/79/48/17/447794817.db2.gz FHUGSGAHHCYPIW-SMDDNHRTSA-N 1 0 327.406 1.086 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000452072703 447810480 /nfs/dbraw/zinc/81/04/80/447810480.db2.gz XOMYURFDEBQHTC-AAEUAGOBSA-N 1 0 337.376 1.635 20 5 EDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000524721292 447944543 /nfs/dbraw/zinc/94/45/43/447944543.db2.gz KRVLMADPVUPGMN-ZDUSSCGKSA-N 1 0 343.387 1.852 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000525211310 447978080 /nfs/dbraw/zinc/97/80/80/447978080.db2.gz HNUBQAAHPAYKLG-AWEZNQCLSA-N 1 0 335.404 1.946 20 5 EDBDRO CC[N@@H+]1CCCC[C@H]1CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000530940892 447987680 /nfs/dbraw/zinc/98/76/80/447987680.db2.gz CUMGSNQONFWFKB-NSHDSACASA-N 1 0 342.421 1.529 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000525307199 447994659 /nfs/dbraw/zinc/99/46/59/447994659.db2.gz KVLJURYZTBAKAS-GFCCVEGCSA-N 1 0 341.433 1.777 20 5 EDBDRO COC(=O)c1cc(C)nc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000552976091 447966107 /nfs/dbraw/zinc/96/61/07/447966107.db2.gz GOUXKDYWSODVKN-NSHDSACASA-N 1 0 334.376 1.981 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC2=CCOCC2)cc1 ZINC000570676744 448047770 /nfs/dbraw/zinc/04/77/70/448047770.db2.gz WPODMGCHFXUNDI-UHFFFAOYSA-N 1 0 326.374 1.305 20 5 EDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000514645194 448177433 /nfs/dbraw/zinc/17/74/33/448177433.db2.gz NLZMOQIQJFDJLO-NWDGAFQWSA-N 1 0 340.405 1.095 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1ccccc1 ZINC000558688399 448201686 /nfs/dbraw/zinc/20/16/86/448201686.db2.gz ITDDJJXUUMMOEH-CYBMUJFWSA-N 1 0 329.360 1.605 20 5 EDBDRO Cc1cc(N2CCN(C)C[C@H]2C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000514850538 448213912 /nfs/dbraw/zinc/21/39/12/448213912.db2.gz YXUVJDJPWGJGNE-OAHLLOKOSA-N 1 0 342.403 1.439 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[NH2+]C[C@@H]2C(F)F)c([N+](=O)[O-])c1 ZINC000582486826 448250973 /nfs/dbraw/zinc/25/09/73/448250973.db2.gz STXBORUJGPJRIH-GFCCVEGCSA-N 1 0 344.318 1.081 20 5 EDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000591294820 448310928 /nfs/dbraw/zinc/31/09/28/448310928.db2.gz GJHOISLSUINAFO-CHWSQXEVSA-N 1 0 333.392 1.655 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC(CO)([NH2+]C(C)C)CC1 ZINC000572131962 448297479 /nfs/dbraw/zinc/29/74/79/448297479.db2.gz UEFOQAAYOHUYTG-UHFFFAOYSA-N 1 0 337.420 1.928 20 5 EDBDRO CCCC[N@H+](C)C[C@@H](C)Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000572330986 448345397 /nfs/dbraw/zinc/34/53/97/448345397.db2.gz RAMRGFXICXLPOG-LLVKDONJSA-N 1 0 344.437 1.775 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000582881799 448365041 /nfs/dbraw/zinc/36/50/41/448365041.db2.gz UMHKZPGJTLJLPL-OAHLLOKOSA-N 1 0 344.371 1.752 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC2(C)CC[NH2+]CC2)cc1OC ZINC000591682874 448450282 /nfs/dbraw/zinc/45/02/82/448450282.db2.gz QBGFWNJTOUNXHN-UHFFFAOYSA-N 1 0 337.376 1.874 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)c1 ZINC000572843125 448478381 /nfs/dbraw/zinc/47/83/81/448478381.db2.gz PTILCTZGGVWGIZ-HIFRSBDPSA-N 1 0 335.360 1.196 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000591763549 448485266 /nfs/dbraw/zinc/48/52/66/448485266.db2.gz BSHWMBFQSBDWRZ-HZPDHXFCSA-N 1 0 349.431 1.941 20 5 EDBDRO CN(CCC[NH+](C)C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000572988161 448515150 /nfs/dbraw/zinc/51/51/50/448515150.db2.gz UGPMPROBHJUEMK-UHFFFAOYSA-N 1 0 334.380 1.564 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000537944105 448575280 /nfs/dbraw/zinc/57/52/80/448575280.db2.gz NONCKDDXSXBLCW-QWRGUYRKSA-N 1 0 343.405 1.335 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCS(=O)(=O)NC(C)C ZINC000536859139 448544621 /nfs/dbraw/zinc/54/46/21/448544621.db2.gz RARFKUWHRDHPNE-GFCCVEGCSA-N 1 0 329.422 1.882 20 5 EDBDRO Cc1cccc2c1OCC[C@H]2[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000573111794 448547528 /nfs/dbraw/zinc/54/75/28/448547528.db2.gz OMOMNLZOUMXUAZ-DZGCQCFKSA-N 1 0 332.360 1.574 20 5 EDBDRO Cn1ccnc1[C@H]1C[NH2+]CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000578988696 448687273 /nfs/dbraw/zinc/68/72/73/448687273.db2.gz SLILUXHCQOWISW-DQOPKJQZSA-N 1 0 327.388 1.988 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000567521240 448710739 /nfs/dbraw/zinc/71/07/39/448710739.db2.gz VSJLUAWMQVIISQ-AWEZNQCLSA-N 1 0 337.424 1.811 20 5 EDBDRO CCN(CC)S(=O)(=O)c1ccc(OCC2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000592156767 448716573 /nfs/dbraw/zinc/71/65/73/448716573.db2.gz SFKJFEKYTMYITI-UHFFFAOYSA-N 1 0 343.405 1.224 20 5 EDBDRO O=C(C[C@H]1CCC[NH2+]C1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000518999574 448732458 /nfs/dbraw/zinc/73/24/58/448732458.db2.gz GOMQRPGXQAWRBD-LLVKDONJSA-N 1 0 329.360 2.313 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000592379202 448812460 /nfs/dbraw/zinc/81/24/60/448812460.db2.gz JVOSHNRJBLKMIC-GFCCVEGCSA-N 1 0 327.406 1.522 20 5 EDBDRO C[NH+](C)[C@@H]1CCc2cc(NC[C@H](O)Cn3cc([N+](=O)[O-])cn3)ccc21 ZINC000574034130 448774780 /nfs/dbraw/zinc/77/47/80/448774780.db2.gz QFQKRURRLLPPNA-DOTOQJQBSA-N 1 0 345.403 1.813 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000592293107 448776674 /nfs/dbraw/zinc/77/66/74/448776674.db2.gz RSWGJUXLUCOHJQ-RYUDHWBXSA-N 1 0 338.412 1.086 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000592307343 448784100 /nfs/dbraw/zinc/78/41/00/448784100.db2.gz FVPPIMDKPXHDKT-UFBFGSQYSA-N 1 0 347.293 1.802 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CC[C@H]1[NH3+] ZINC000592381846 448814343 /nfs/dbraw/zinc/81/43/43/448814343.db2.gz HSAKLPVYLMQIIT-WDEREUQCSA-N 1 0 343.405 1.351 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CC[C@H](O)C2)cc1 ZINC000592431268 448832564 /nfs/dbraw/zinc/83/25/64/448832564.db2.gz ACUOMMLHCVRLBI-YPMHNXCESA-N 1 0 328.390 1.119 20 5 EDBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000592430713 448832839 /nfs/dbraw/zinc/83/28/39/448832839.db2.gz CJDCQYRIVBYFQF-PEXQALLHSA-N 1 0 338.282 1.236 20 5 EDBDRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CN1 ZINC000579670405 448845219 /nfs/dbraw/zinc/84/52/19/448845219.db2.gz NUOVGOAJTJUIHA-NHYWBVRUSA-N 1 0 343.387 1.962 20 5 EDBDRO CC(C)(CO)[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000587979245 448849616 /nfs/dbraw/zinc/84/96/16/448849616.db2.gz IPKNFOOOCQRNHJ-UHFFFAOYSA-N 1 0 347.375 1.137 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCO1 ZINC000592475160 448853171 /nfs/dbraw/zinc/85/31/71/448853171.db2.gz YLOPTAFKRHRXOY-GXFFZTMASA-N 1 0 333.348 1.193 20 5 EDBDRO CN1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000579854729 448897162 /nfs/dbraw/zinc/89/71/62/448897162.db2.gz JUFBYYHEFKLSPQ-HNNXBMFYSA-N 1 0 337.424 1.103 20 5 EDBDRO CCc1ccc(C(=O)N2CCC[NH2+]C[C@H]2C(=O)OC)cc1[N+](=O)[O-] ZINC000592557251 448898784 /nfs/dbraw/zinc/89/87/84/448898784.db2.gz XHSLTUPIFGRJMY-AWEZNQCLSA-N 1 0 335.360 1.134 20 5 EDBDRO CNc1nccc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000521367229 448974209 /nfs/dbraw/zinc/97/42/09/448974209.db2.gz WFBDFQQKYLKXBY-UHFFFAOYSA-N 1 0 335.408 1.978 20 5 EDBDRO COc1cccc(C[C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000569213844 448980666 /nfs/dbraw/zinc/98/06/66/448980666.db2.gz GDEBWWNOBJKAMY-IUODEOHRSA-N 1 0 334.376 1.382 20 5 EDBDRO CCOc1ccc([C@@H]2C[C@H]2[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000569232071 448985573 /nfs/dbraw/zinc/98/55/73/448985573.db2.gz HXMOIGHDEUOLLU-HYVNUMGLSA-N 1 0 346.387 1.697 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@H](CO)C1CCC1 ZINC000595614483 449080514 /nfs/dbraw/zinc/08/05/14/449080514.db2.gz CTLDFKOFRZMLCM-CYBMUJFWSA-N 1 0 335.360 1.643 20 5 EDBDRO C[NH+]1CCC2(CC1)CN(C(=O)COc1cccc([N+](=O)[O-])c1)CCO2 ZINC000592898875 449042556 /nfs/dbraw/zinc/04/25/56/449042556.db2.gz MEGMFZYTQTYNLL-UHFFFAOYSA-N 1 0 349.387 1.297 20 5 EDBDRO C[C@H](CO)C1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000593079918 449125626 /nfs/dbraw/zinc/12/56/26/449125626.db2.gz BBXMQYMDHJUYTR-HIFRSBDPSA-N 1 0 338.404 1.675 20 5 EDBDRO CC(C)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C[NH+]1CCCC1 ZINC000593583891 449090961 /nfs/dbraw/zinc/09/09/61/449090961.db2.gz ZRFOKKWALXQXNL-UHFFFAOYSA-N 1 0 342.421 1.390 20 5 EDBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599938618 449116961 /nfs/dbraw/zinc/11/69/61/449116961.db2.gz QWQXNHQTPAQDOF-ZIAGYGMSSA-N 1 0 345.355 1.622 20 5 EDBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599938617 449117329 /nfs/dbraw/zinc/11/73/29/449117329.db2.gz QWQXNHQTPAQDOF-UONOGXRCSA-N 1 0 345.355 1.622 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000597943289 449153342 /nfs/dbraw/zinc/15/33/42/449153342.db2.gz XDUYWRDEGMKVTM-AWEZNQCLSA-N 1 0 336.436 1.905 20 5 EDBDRO NS(=O)(=O)c1c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000603932351 449161101 /nfs/dbraw/zinc/16/11/01/449161101.db2.gz FRCPDCWBHCXPPO-WDEREUQCSA-N 1 0 340.405 1.281 20 5 EDBDRO C[C@@H]1CCC[N@H+](CCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000603930034 449161315 /nfs/dbraw/zinc/16/13/15/449161315.db2.gz FUBUMFWTALZBBT-LLVKDONJSA-N 1 0 342.421 1.386 20 5 EDBDRO Cc1nn(CCC(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000593188711 449164483 /nfs/dbraw/zinc/16/44/83/449164483.db2.gz OHXHAXUXDUQHGU-WXHSDQCUSA-N 1 0 337.424 1.738 20 5 EDBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000593188777 449164690 /nfs/dbraw/zinc/16/46/90/449164690.db2.gz POHLZDGQQSNQBM-MGPQQGTHSA-N 1 0 334.420 1.971 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1OC ZINC000590445038 449165541 /nfs/dbraw/zinc/16/55/41/449165541.db2.gz PQJGPLQORINZNY-RISCZKNCSA-N 1 0 349.387 1.778 20 5 EDBDRO CC(C)c1n[nH]c(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000590375493 449139172 /nfs/dbraw/zinc/13/91/72/449139172.db2.gz CBYLUMSTCIVFGM-UHFFFAOYSA-N 1 0 335.408 1.999 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC000597926340 449144833 /nfs/dbraw/zinc/14/48/33/449144833.db2.gz YXTGBTXATVGRGG-ZDUSSCGKSA-N 1 0 349.387 1.984 20 5 EDBDRO CN(CCC[NH+](C)C)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000597990384 449174825 /nfs/dbraw/zinc/17/48/25/449174825.db2.gz UPYDIDOIVVNOHF-UHFFFAOYSA-N 1 0 347.419 1.689 20 5 EDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000590546663 449183672 /nfs/dbraw/zinc/18/36/72/449183672.db2.gz LWTRZBCIVDPYNP-KRWDZBQOSA-N 1 0 349.387 1.180 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000590563917 449191210 /nfs/dbraw/zinc/19/12/10/449191210.db2.gz VSFONUWTLODSQX-TZMCWYRMSA-N 1 0 334.376 1.112 20 5 EDBDRO Cc1c(CC(=O)N2CCC([NH+]3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000600104970 449191219 /nfs/dbraw/zinc/19/12/19/449191219.db2.gz DVWHSGPFGFXSJI-UHFFFAOYSA-N 1 0 347.415 1.769 20 5 EDBDRO COCC[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000593336795 449230853 /nfs/dbraw/zinc/23/08/53/449230853.db2.gz ACVWYEKOCNPODA-UHFFFAOYSA-N 1 0 335.404 1.707 20 5 EDBDRO COc1ccc(-c2ccc(C[NH+]3C[C@H](O)[C@@H](O)C3)o2)c([N+](=O)[O-])c1 ZINC000600188359 449232605 /nfs/dbraw/zinc/23/26/05/449232605.db2.gz AJPSCSJSYOZTEK-GJZGRUSLSA-N 1 0 334.328 1.401 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@@H](F)[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000595906767 449244777 /nfs/dbraw/zinc/24/47/77/449244777.db2.gz NJCWPWWQSKQLGK-MVWJERBFSA-N 1 0 340.355 1.302 20 5 EDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)c1cnnn1C1CC[NH2+]CC1 ZINC000595920995 449254493 /nfs/dbraw/zinc/25/44/93/449254493.db2.gz ZIZUTFQFKGTGSB-UHFFFAOYSA-N 1 0 330.348 1.041 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)n1 ZINC000600230016 449256178 /nfs/dbraw/zinc/25/61/78/449256178.db2.gz OCRFPEFOEDCYNH-CYBMUJFWSA-N 1 0 335.408 1.948 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595932901 449263477 /nfs/dbraw/zinc/26/34/77/449263477.db2.gz DFBWBBHQJIRNGX-AWEZNQCLSA-N 1 0 335.408 1.420 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595936087 449266034 /nfs/dbraw/zinc/26/60/34/449266034.db2.gz MVLIELHCRHBZFY-GFCCVEGCSA-N 1 0 334.376 1.547 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595937953 449266275 /nfs/dbraw/zinc/26/62/75/449266275.db2.gz ZZMMWBCOUBPQQH-OAHLLOKOSA-N 1 0 349.435 1.728 20 5 EDBDRO CC(C)C[N@H+](C)CCCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000593479906 449303482 /nfs/dbraw/zinc/30/34/82/449303482.db2.gz LJCGSEILUTUONL-UHFFFAOYSA-N 1 0 344.437 1.632 20 5 EDBDRO C[NH+](C)CCN1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1=O ZINC000593486263 449305981 /nfs/dbraw/zinc/30/59/81/449305981.db2.gz SHALNAZPILPUIZ-UHFFFAOYSA-N 1 0 343.387 1.353 20 5 EDBDRO COc1ccc(CN2CC[C@@H]2CNC(=O)c2[nH]ncc2[N+](=O)[O-])cc1 ZINC000600298893 449307103 /nfs/dbraw/zinc/30/71/03/449307103.db2.gz OGRZIJVOSFZCQO-GFCCVEGCSA-N 1 0 345.359 1.331 20 5 EDBDRO O=C(N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1([NH2+]C2CC2)CCC1 ZINC000595950154 449276008 /nfs/dbraw/zinc/27/60/08/449276008.db2.gz QRWLXVUZPLXGIO-CYBMUJFWSA-N 1 0 345.403 1.677 20 5 EDBDRO COC(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000593913936 449281869 /nfs/dbraw/zinc/28/18/69/449281869.db2.gz ZANHJYQAOUBTIE-GUYCJALGSA-N 1 0 347.371 1.582 20 5 EDBDRO [NH3+]C1(CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCCC1 ZINC000595958109 449282560 /nfs/dbraw/zinc/28/25/60/449282560.db2.gz IXWRVXDDLOAMGT-UHFFFAOYSA-N 1 0 330.348 1.177 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596050861 449337532 /nfs/dbraw/zinc/33/75/32/449337532.db2.gz RGXBOBGXGMWVDA-NSHDSACASA-N 1 0 328.394 1.138 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000596053392 449338517 /nfs/dbraw/zinc/33/85/17/449338517.db2.gz ZIIOOGWZFFINFZ-SNVBAGLBSA-N 1 0 341.311 1.413 20 5 EDBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1(C)C ZINC000602168290 449399957 /nfs/dbraw/zinc/39/99/57/449399957.db2.gz BWXBJMVJOIRMIO-STQMWFEESA-N 1 0 335.360 1.782 20 5 EDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000600529968 449427678 /nfs/dbraw/zinc/42/76/78/449427678.db2.gz FOMGGQURDSKBQI-SNVBAGLBSA-N 1 0 325.390 1.113 20 5 EDBDRO C[NH+](C)C1(CNc2ccc(N)c([N+](=O)[O-])n2)Cc2ccccc2C1 ZINC000596146501 449384761 /nfs/dbraw/zinc/38/47/61/449384761.db2.gz ODPPXIYOWPDTGU-UHFFFAOYSA-N 1 0 327.388 2.083 20 5 EDBDRO C[C@@H]1C[C@@H](Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000596155399 449388278 /nfs/dbraw/zinc/38/82/78/449388278.db2.gz JSNSUDUSVQCAPS-MWLCHTKSSA-N 1 0 340.405 1.279 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594325061 449450787 /nfs/dbraw/zinc/45/07/87/449450787.db2.gz AUIOCRJUQFMTIG-CABCVRRESA-N 1 0 346.387 1.666 20 5 EDBDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000598536228 449452235 /nfs/dbraw/zinc/45/22/35/449452235.db2.gz PCQKCLJGJSFDRK-LBPRGKRZSA-N 1 0 336.392 1.638 20 5 EDBDRO CC[NH+](CC)C[C@H](C)Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598589718 449480371 /nfs/dbraw/zinc/48/03/71/449480371.db2.gz UUWBKXFKWFCBJZ-LBPRGKRZSA-N 1 0 338.412 1.364 20 5 EDBDRO COC(=O)c1ccnc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000598605574 449488091 /nfs/dbraw/zinc/48/80/91/449488091.db2.gz BUESWYJZPRQZNL-CYBMUJFWSA-N 1 0 348.403 1.945 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCN(C)CC2(C)C)c(C)c1[N+](=O)[O-] ZINC000598605617 449488285 /nfs/dbraw/zinc/48/82/85/449488285.db2.gz GOQQKIWPKDUIJL-UHFFFAOYSA-N 1 0 341.433 1.926 20 5 EDBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000594468549 449537308 /nfs/dbraw/zinc/53/73/08/449537308.db2.gz OKFPPIJAVHLYKO-SUMWQHHRSA-N 1 0 341.371 2.313 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594485097 449549875 /nfs/dbraw/zinc/54/98/75/449549875.db2.gz WGPDSTRMJMZZTP-HUUCEWRRSA-N 1 0 339.417 1.890 20 5 EDBDRO Cc1cccnc1CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598633045 449508918 /nfs/dbraw/zinc/50/89/18/449508918.db2.gz ITERRPZKRBXHAM-UHFFFAOYSA-N 1 0 344.375 1.579 20 5 EDBDRO COC(=O)c1ccnc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000598634160 449510827 /nfs/dbraw/zinc/51/08/27/449510827.db2.gz RGKQXUNHNMAXLN-PHIMTYICSA-N 1 0 336.348 1.052 20 5 EDBDRO CC1(C)CC[C@@H](CO)[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000598647030 449516172 /nfs/dbraw/zinc/51/61/72/449516172.db2.gz JQURRXWSILVFCG-GJZGRUSLSA-N 1 0 338.404 1.817 20 5 EDBDRO O=C([C@H]1C[C@@]12CCC[NH2+]C2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000594441226 449519882 /nfs/dbraw/zinc/51/98/82/449519882.db2.gz OYZZIXJZXALUKU-SJLPKXTDSA-N 1 0 344.415 1.633 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H](C[NH3+])CC(C)C)c(C)c1[N+](=O)[O-] ZINC000598716257 449559509 /nfs/dbraw/zinc/55/95/09/449559509.db2.gz FHAJHPQSGOCCMU-GFCCVEGCSA-N 1 0 329.422 1.863 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000598716223 449559567 /nfs/dbraw/zinc/55/95/67/449559567.db2.gz BWNPIIOKFMWUQO-GFCCVEGCSA-N 1 0 327.406 1.490 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000596588367 449564459 /nfs/dbraw/zinc/56/44/59/449564459.db2.gz PZZQKFVKPWNZGL-LLVKDONJSA-N 1 0 346.391 1.755 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000594748176 449664322 /nfs/dbraw/zinc/66/43/22/449664322.db2.gz KVBZFWBIFFWWPH-NEPJUHHUSA-N 1 0 342.421 1.531 20 5 EDBDRO CN(C)c1c(F)c(F)ccc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000598968122 449674835 /nfs/dbraw/zinc/67/48/35/449674835.db2.gz SZXODFHYPNXGKL-UHFFFAOYSA-N 1 0 325.319 1.925 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000596841548 449678984 /nfs/dbraw/zinc/67/89/84/449678984.db2.gz HQQYUCDWDQVKQT-HNNXBMFYSA-N 1 0 348.403 1.966 20 5 EDBDRO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000598990081 449683156 /nfs/dbraw/zinc/68/31/56/449683156.db2.gz GAULCWAMXYKRAP-QGZVFWFLSA-N 1 0 335.404 1.300 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000598991670 449684000 /nfs/dbraw/zinc/68/40/00/449684000.db2.gz REPRIMGBSRPFAG-CYBMUJFWSA-N 1 0 339.359 1.401 20 5 EDBDRO COC(=O)C(C)(C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602504665 449635633 /nfs/dbraw/zinc/63/56/33/449635633.db2.gz JCRWBGYQNGNJLL-UHFFFAOYSA-N 1 0 336.392 1.747 20 5 EDBDRO C[N@@H+]1CC[C@](O)(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602612768 449704919 /nfs/dbraw/zinc/70/49/19/449704919.db2.gz QOGRUTYUBZJVSD-ZDUSSCGKSA-N 1 0 333.310 1.770 20 5 EDBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC3(N4CCOCC4)CC3)nc2c1 ZINC000602634223 449719959 /nfs/dbraw/zinc/71/99/59/449719959.db2.gz QXLNDMLBMOJFPC-UHFFFAOYSA-N 1 0 332.360 1.690 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000599098814 449730788 /nfs/dbraw/zinc/73/07/88/449730788.db2.gz BVGAFNYAHAENJP-ZDUSSCGKSA-N 1 0 343.405 1.222 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[C@@H](C)[NH+](C)C ZINC000594822669 449731565 /nfs/dbraw/zinc/73/15/65/449731565.db2.gz YEVGCGNDIOJOJZ-SNVBAGLBSA-N 1 0 331.394 1.222 20 5 EDBDRO C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[NH2+]1 ZINC000599101800 449733113 /nfs/dbraw/zinc/73/31/13/449733113.db2.gz BXISBFGRHFLUSB-WCBMZHEXSA-N 1 0 333.797 1.667 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000602589955 449690706 /nfs/dbraw/zinc/69/07/06/449690706.db2.gz HFKVXCWWCHXELL-GJZGRUSLSA-N 1 0 341.371 1.334 20 5 EDBDRO Cc1cc(NCC[N@@H+]2CC[C@@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599175952 449780463 /nfs/dbraw/zinc/78/04/63/449780463.db2.gz KVTCNLBGKPMUAB-OAHLLOKOSA-N 1 0 343.387 1.261 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000601189013 449740915 /nfs/dbraw/zinc/74/09/15/449740915.db2.gz OEOVWOHLMPGACY-INIZCTEOSA-N 1 0 337.376 1.274 20 5 EDBDRO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601303298 449812996 /nfs/dbraw/zinc/81/29/96/449812996.db2.gz DJSBBWDURPFYEZ-VIFPVBQESA-N 1 0 335.451 1.973 20 5 EDBDRO COc1ccc(NC(=O)CN2CCC[C@H]3C[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC000601333836 449842231 /nfs/dbraw/zinc/84/22/31/449842231.db2.gz GRTGSSCIVVEPAA-SWLSCSKDSA-N 1 0 348.403 1.616 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000601348688 449860205 /nfs/dbraw/zinc/86/02/05/449860205.db2.gz XXBWEKRFYGHCCC-TXEJJXNPSA-N 1 0 325.390 1.337 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601356121 449869353 /nfs/dbraw/zinc/86/93/53/449869353.db2.gz HHRGHSKBKMLTKJ-ONGXEEELSA-N 1 0 347.462 1.925 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)nc1 ZINC000595108735 449872672 /nfs/dbraw/zinc/87/26/72/449872672.db2.gz QGFAHRTULXGRCU-YPMHNXCESA-N 1 0 340.405 1.143 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000602845024 449851041 /nfs/dbraw/zinc/85/10/41/449851041.db2.gz ZGYSLPKOXXLVHX-UHFFFAOYSA-N 1 0 334.420 1.877 20 5 EDBDRO COCC(C)(C)[NH+]1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602844647 449851486 /nfs/dbraw/zinc/85/14/86/449851486.db2.gz FLGGKGLEYQRJDU-UHFFFAOYSA-N 1 0 325.413 1.142 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000601344033 449853595 /nfs/dbraw/zinc/85/35/95/449853595.db2.gz SAILWWHAEBQNQZ-PWSUYJOCSA-N 1 0 343.380 1.415 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000601420254 449936877 /nfs/dbraw/zinc/93/68/77/449936877.db2.gz CPZVWPWFJMOLHI-OLZOCXBDSA-N 1 0 341.433 1.925 20 5 EDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000601421314 449938052 /nfs/dbraw/zinc/93/80/52/449938052.db2.gz DYMRZFIRTXIBDS-MWLCHTKSSA-N 1 0 347.824 1.961 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC(C[NH+](C)C)C1 ZINC000601423646 449942526 /nfs/dbraw/zinc/94/25/26/449942526.db2.gz FUVWZARGASAIPW-UHFFFAOYSA-N 1 0 327.406 1.339 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601434795 449955845 /nfs/dbraw/zinc/95/58/45/449955845.db2.gz VRFDGZLQINRNQL-SNVBAGLBSA-N 1 0 331.369 1.272 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000599411629 449956682 /nfs/dbraw/zinc/95/66/82/449956682.db2.gz AWOWYTCNLKYZAE-CYBMUJFWSA-N 1 0 341.433 1.913 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000595353332 450067379 /nfs/dbraw/zinc/06/73/79/450067379.db2.gz FKYGXNRMUKMUMI-SNVBAGLBSA-N 1 0 331.369 1.497 20 5 EDBDRO Cc1c(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)cccc1[N+](=O)[O-] ZINC000599574891 450076639 /nfs/dbraw/zinc/07/66/39/450076639.db2.gz HFMKARYRECFQRS-UHFFFAOYSA-N 1 0 344.375 1.431 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)c2nccn2C)cc1C ZINC000595384542 450099215 /nfs/dbraw/zinc/09/92/15/450099215.db2.gz WUZPTDLBAUCBOX-NSHDSACASA-N 1 0 338.389 1.985 20 5 EDBDRO CNS(=O)(=O)C[C@H]1CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595384912 450099574 /nfs/dbraw/zinc/09/95/74/450099574.db2.gz PPBAOWBXTWTIFS-GFCCVEGCSA-N 1 0 331.369 1.248 20 5 EDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)n1cc(CN2CC[NH+](C)CC2)nn1 ZINC000603185307 450124643 /nfs/dbraw/zinc/12/46/43/450124643.db2.gz FNYOIEZWEGIULC-ZDUSSCGKSA-N 1 0 330.392 1.543 20 5 EDBDRO COc1cc(C(=O)NC[C@H](C)[NH+]2CCCC2)cc([N+](=O)[O-])c1OC ZINC000610196787 450151101 /nfs/dbraw/zinc/15/11/01/450151101.db2.gz IPWMWPUMVXGDGR-NSHDSACASA-N 1 0 337.376 1.826 20 5 EDBDRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000599685455 450152594 /nfs/dbraw/zinc/15/25/94/450152594.db2.gz PRSXWXJMQZXIIB-UONOGXRCSA-N 1 0 334.332 1.785 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000610240547 450157561 /nfs/dbraw/zinc/15/75/61/450157561.db2.gz SBZOWWYEBFYPKP-HNNXBMFYSA-N 1 0 346.431 1.755 20 5 EDBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000597654894 450172821 /nfs/dbraw/zinc/17/28/21/450172821.db2.gz VEOKCLYTUOWLLC-VIFPVBQESA-N 1 0 335.282 1.266 20 5 EDBDRO COCC1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCOCC1 ZINC000595501629 450189182 /nfs/dbraw/zinc/18/91/82/450189182.db2.gz UWDTVQGFFPARFS-UHFFFAOYSA-N 1 0 337.376 1.627 20 5 EDBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000603424494 450295926 /nfs/dbraw/zinc/29/59/26/450295926.db2.gz YIGQXEOWRYITJD-OAHLLOKOSA-N 1 0 349.435 1.507 20 5 EDBDRO O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618869089 450325109 /nfs/dbraw/zinc/32/51/09/450325109.db2.gz QCORPMDURYBRGY-INIZCTEOSA-N 1 0 347.419 1.829 20 5 EDBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000603910131 450375666 /nfs/dbraw/zinc/37/56/66/450375666.db2.gz JWEUHTKGKKWPGU-RAIGVLPGSA-N 1 0 329.360 1.857 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000420241081 518177681 /nfs/dbraw/zinc/17/76/81/518177681.db2.gz VKCWEZHYTMXJPL-DGCLKSJQSA-N 1 0 343.387 1.733 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150817801 534617762 /nfs/dbraw/zinc/61/77/62/534617762.db2.gz JOOSFTGTBSJXAA-AWEZNQCLSA-N 1 0 335.408 1.577 20 5 EDBDRO [NH3+][C@H]1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000132422308 534729065 /nfs/dbraw/zinc/72/90/65/534729065.db2.gz KIEPMDADGJAFDK-JTQLQIEISA-N 1 0 346.309 1.975 20 5 EDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000153075963 534885672 /nfs/dbraw/zinc/88/56/72/534885672.db2.gz QSABYQCXWKYXKL-HNNXBMFYSA-N 1 0 339.417 1.595 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000174869777 534889046 /nfs/dbraw/zinc/88/90/46/534889046.db2.gz SWWHSTONGQIDMY-ZDUSSCGKSA-N 1 0 341.375 1.714 20 5 EDBDRO CCCN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@H]1CC[NH2+]C1 ZINC000178920963 527793913 /nfs/dbraw/zinc/79/39/13/527793913.db2.gz TVJNWSXITIBLFS-AWEZNQCLSA-N 1 0 344.375 1.390 20 5 EDBDRO CCOc1ccc([C@H](C)[NH2+]CC(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000183360230 528605675 /nfs/dbraw/zinc/60/56/75/528605675.db2.gz AAQGBWIQLCQFJH-LBPRGKRZSA-N 1 0 337.376 1.503 20 5 EDBDRO CC[NH+]1CCN(CCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000174534480 529141121 /nfs/dbraw/zinc/14/11/21/529141121.db2.gz TUUCYDHYTPIDRB-UHFFFAOYSA-N 1 0 332.404 1.512 20 5 EDBDRO CC[N@@H+]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000264071503 535522338 /nfs/dbraw/zinc/52/23/38/535522338.db2.gz BUQQJFLIZJUSFE-UHFFFAOYSA-N 1 0 327.406 1.452 20 5 EDBDRO CCC[C@@](C)([NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000262718179 535524161 /nfs/dbraw/zinc/52/41/61/535524161.db2.gz XFWASVBKWQVWJQ-QGZVFWFLSA-N 1 0 348.403 1.397 20 5 EDBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000346726682 535861216 /nfs/dbraw/zinc/86/12/16/535861216.db2.gz ISJCXNLWMGGLPU-LLVKDONJSA-N 1 0 327.406 1.839 20 5 EDBDRO C[NH2+][C@@H](C)Cc1noc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)n1 ZINC000261912656 536348908 /nfs/dbraw/zinc/34/89/08/536348908.db2.gz ZXWXBJUEPWCFLM-JTQLQIEISA-N 1 0 348.363 1.128 20 5 EDBDRO COc1cc(N2CCC[N@@H+]([C@@H](C)CO)CC2)c(F)cc1[N+](=O)[O-] ZINC000345034133 536827322 /nfs/dbraw/zinc/82/73/22/536827322.db2.gz NXBKBLPRCYUSRX-NSHDSACASA-N 1 0 327.356 1.635 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CCC[C@@H]2C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000263908093 536868566 /nfs/dbraw/zinc/86/85/66/536868566.db2.gz ICMKYOKAICJTGB-CYBMUJFWSA-N 1 0 335.360 1.548 20 5 EDBDRO COc1ccc(CC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000727675785 578537078 /nfs/dbraw/zinc/53/70/78/578537078.db2.gz SHMFERNJYFBPEL-KGLIPLIRSA-N 1 0 349.387 1.125 20 5 EDBDRO CC[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000729921194 578599754 /nfs/dbraw/zinc/59/97/54/578599754.db2.gz RUMYBIHTMPZPMA-QWHCGFSZSA-N 1 0 333.392 1.524 20 5 EDBDRO CCCC[N@H+](C)CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000732771547 578727168 /nfs/dbraw/zinc/72/71/68/578727168.db2.gz JFVAWPTXXYBXBI-UHFFFAOYSA-N 1 0 333.392 1.793 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2ncn(CN3CC[NH+](C4CCC4)CC3)n2)cc1 ZINC000733296321 578757993 /nfs/dbraw/zinc/75/79/93/578757993.db2.gz LEAIAFDKEOUKLM-UHFFFAOYSA-N 1 0 342.403 1.981 20 5 EDBDRO COC(=O)/C=C\c1ccc(N2CCC([NH3+])(CO)CC2)c([N+](=O)[O-])c1 ZINC000733895469 578789143 /nfs/dbraw/zinc/78/91/43/578789143.db2.gz FLXXOCGSWWUBMY-HYXAFXHYSA-N 1 0 335.360 1.071 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[N@H+](C)[C@@H](C)C1 ZINC000761074623 580046673 /nfs/dbraw/zinc/04/66/73/580046673.db2.gz XZZALSZJWNTTKY-RYUDHWBXSA-N 1 0 336.392 1.566 20 5 EDBDRO CC(C)(C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000739708038 579239309 /nfs/dbraw/zinc/23/93/09/579239309.db2.gz CRWAPWRZWGFVER-JKSUJKDBSA-N 1 0 347.415 1.852 20 5 EDBDRO Cc1nn(CN2CC[NH+](C3CCC3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749952552 579744822 /nfs/dbraw/zinc/74/48/22/579744822.db2.gz IDOJWIZRQDTVIM-UHFFFAOYSA-N 1 0 330.392 1.776 20 5 EDBDRO C[NH+](C)C[C@H]1CCCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000758854206 579993168 /nfs/dbraw/zinc/99/31/68/579993168.db2.gz QDSILFMEVLUXRB-LLVKDONJSA-N 1 0 342.421 1.020 20 5 EDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000762966437 580088850 /nfs/dbraw/zinc/08/88/50/580088850.db2.gz GHRKERJRBAMDCO-RYUDHWBXSA-N 1 0 344.371 1.669 20 5 EDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000768841743 580221954 /nfs/dbraw/zinc/22/19/54/580221954.db2.gz NBEASIDALPPJHM-QWRGUYRKSA-N 1 0 325.340 1.664 20 5 EDBDRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000769423862 580236642 /nfs/dbraw/zinc/23/66/42/580236642.db2.gz OBPCDNYJNWDFEF-LBPRGKRZSA-N 1 0 339.396 1.780 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000773413734 580336784 /nfs/dbraw/zinc/33/67/84/580336784.db2.gz ISRRVNXFCBLMLF-ZDUSSCGKSA-N 1 0 348.403 1.504 20 5 EDBDRO O=C1C[C@H]([C@H]2CCCC[N@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)CN1 ZINC000776599256 580423702 /nfs/dbraw/zinc/42/37/02/580423702.db2.gz ZLIPWPLRFYMENT-IMJJTQAJSA-N 1 0 333.388 1.619 20 5 EDBDRO CCCN(CC[NH+](C)C)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781682516 580554647 /nfs/dbraw/zinc/55/46/47/580554647.db2.gz RGEXMBGEWZJIEM-MRXNPFEDSA-N 1 0 348.403 1.888 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000781969132 580562082 /nfs/dbraw/zinc/56/20/82/580562082.db2.gz IAHQBNFYNJTWFS-LRDDRELGSA-N 1 0 346.387 1.498 20 5 EDBDRO CN(Cn1c(=O)oc2cccc([N+](=O)[O-])c21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000794629565 580900588 /nfs/dbraw/zinc/90/05/88/580900588.db2.gz XCAYVKMNCVNDHI-GFCCVEGCSA-N 1 0 332.360 1.629 20 5 EDBDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796375437 580952466 /nfs/dbraw/zinc/95/24/66/580952466.db2.gz JBOGGBGCFIDAOF-XOKHGSTOSA-N 1 0 335.404 1.423 20 5 EDBDRO C[C@H](COC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2)[N+](=O)[O-] ZINC000893044827 590632662 /nfs/dbraw/zinc/63/26/62/590632662.db2.gz OMCCTLGALAXQPV-KYJSFNMBSA-N 1 0 348.399 1.734 20 5 EDBDRO C[N@@H+]1CC[C@](O)(CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])C1 ZINC000893187502 590701635 /nfs/dbraw/zinc/70/16/35/590701635.db2.gz RKRZYLXMTXEFLZ-HNNXBMFYSA-N 1 0 336.779 1.697 20 5 EDBDRO C[N@@H+]1CC[C@@](O)(CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])C1 ZINC000893187606 590701749 /nfs/dbraw/zinc/70/17/49/590701749.db2.gz RKRZYLXMTXEFLZ-OAHLLOKOSA-N 1 0 336.779 1.697 20 5 EDBDRO C[C@]1(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[NH+]2CCC1CC2 ZINC000892784349 591175529 /nfs/dbraw/zinc/17/55/29/591175529.db2.gz HWWLSWGKZYLNSQ-INIZCTEOSA-N 1 0 337.351 1.713 20 5 EDBDRO O=[N+]([O-])c1c2nonc2ccc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000892837867 591200716 /nfs/dbraw/zinc/20/07/16/591200716.db2.gz HUJFZBYXZLSYCE-LLVKDONJSA-N 1 0 333.348 1.290 20 5 EDBDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000895831007 591284118 /nfs/dbraw/zinc/28/41/18/591284118.db2.gz PEQIKONGVQJKFB-ZWNOBZJWSA-N 1 0 328.752 1.916 20 5 EDBDRO CNC(=O)c1ccc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000896517452 591488706 /nfs/dbraw/zinc/48/87/06/591488706.db2.gz GBFLOAKSHHXYHQ-AWEZNQCLSA-N 1 0 348.403 1.620 20 5 EDBDRO CN1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000841010877 591539336 /nfs/dbraw/zinc/53/93/36/591539336.db2.gz JWPFEASQEMCNIC-JTQLQIEISA-N 1 0 327.772 1.355 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000896853993 591635140 /nfs/dbraw/zinc/63/51/40/591635140.db2.gz SQKRTRDYSYPDJW-IUODEOHRSA-N 1 0 333.388 1.801 20 5 EDBDRO CCO[C@@H](CNCc1ccc(O)c(OC)c1[N+](=O)[O-])C[NH+](C)C ZINC000896879526 591644865 /nfs/dbraw/zinc/64/48/65/591644865.db2.gz CUAZMNUIRKBNCE-LBPRGKRZSA-N 1 0 327.381 1.365 20 5 EDBDRO COC(=O)c1cnc(N2CC[NH2+]C3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000895252892 591681795 /nfs/dbraw/zinc/68/17/95/591681795.db2.gz IZRLEIFOEVRBTQ-UHFFFAOYSA-N 1 0 334.376 1.889 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCNCC[NH2+]CC1 ZINC000900369335 591998931 /nfs/dbraw/zinc/99/89/31/591998931.db2.gz RWJIDKJMWXQATE-UHFFFAOYSA-N 1 0 342.783 1.034 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@]12CC[NH2+]C2 ZINC000903866685 592342007 /nfs/dbraw/zinc/34/20/07/592342007.db2.gz WXYVEKXNTIYNIX-KRWDZBQOSA-N 1 0 348.403 1.760 20 5 EDBDRO COC[C@H]1C[NH2+]CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000903876914 592357980 /nfs/dbraw/zinc/35/79/80/592357980.db2.gz PGWPGPKCNDTHQL-CQSZACIVSA-N 1 0 336.392 1.152 20 5 EDBDRO O=[N+]([O-])CC[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000905189861 592444814 /nfs/dbraw/zinc/44/48/14/592444814.db2.gz IIQXBKINTBNCKI-UHFFFAOYSA-N 1 0 342.295 1.225 20 5 EDBDRO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H](O)CCC3(O)CCC3)CC2)c1 ZINC000905914709 592680558 /nfs/dbraw/zinc/68/05/58/592680558.db2.gz XGPNLUBKAUJDAX-QGZVFWFLSA-N 1 0 349.431 1.773 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(CN3C(=O)C[C@@H]3Oc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000840130147 593228212 /nfs/dbraw/zinc/22/82/12/593228212.db2.gz LEHDEPNREUENKR-PVUWLOKVSA-N 1 0 346.387 1.125 20 5 EDBDRO CC(C)[N@H+](C[C@H]1CCC(=O)N1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000840187630 593367776 /nfs/dbraw/zinc/36/77/76/593367776.db2.gz VWTPMGODFCHACC-CYBMUJFWSA-N 1 0 331.376 1.891 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000813740045 593552419 /nfs/dbraw/zinc/55/24/19/593552419.db2.gz XNJOCEMCWJAAOU-SKDRFNHKSA-N 1 0 345.808 1.573 20 5 EDBDRO CN(C)c1cc(F)c(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000816953695 593563347 /nfs/dbraw/zinc/56/33/47/593563347.db2.gz MFIITCGFQONNMJ-BONVTDFDSA-N 1 0 336.367 1.576 20 5 EDBDRO COC[C@]1(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000818589944 593706146 /nfs/dbraw/zinc/70/61/46/593706146.db2.gz NGKYUIDYQUFUTG-CQSZACIVSA-N 1 0 338.320 1.001 20 5 EDBDRO C[NH+](C)CCn1nccc1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000818944428 593729269 /nfs/dbraw/zinc/72/92/69/593729269.db2.gz NOSKNWGSLGGOGH-UHFFFAOYSA-N 1 0 339.302 1.883 20 5 EDBDRO C[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000820711282 593868450 /nfs/dbraw/zinc/86/84/50/593868450.db2.gz VUIKBQUNPURDNU-QWRGUYRKSA-N 1 0 346.395 1.702 20 5 EDBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000820752143 593881470 /nfs/dbraw/zinc/88/14/70/593881470.db2.gz KXIZUDGOWWDNKA-IINYFYTJSA-N 1 0 331.380 1.916 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820753062 593882060 /nfs/dbraw/zinc/88/20/60/593882060.db2.gz VXGNJKYPQJRFOD-MFKMUULPSA-N 1 0 331.380 1.551 20 5 EDBDRO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000823949804 593893104 /nfs/dbraw/zinc/89/31/04/593893104.db2.gz VKLVPXAUXCSMMR-INIZCTEOSA-N 1 0 342.355 1.372 20 5 EDBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824678151 594054648 /nfs/dbraw/zinc/05/46/48/594054648.db2.gz OJXAOZMKEUSWOH-JTQLQIEISA-N 1 0 335.813 1.666 20 5 EDBDRO COCC1(c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)CC[NH2+]CC1 ZINC000822861171 594112929 /nfs/dbraw/zinc/11/29/29/594112929.db2.gz AKVWKLNONSOBSU-UHFFFAOYSA-N 1 0 333.348 1.231 20 5 EDBDRO C[C@@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000825079208 594127069 /nfs/dbraw/zinc/12/70/69/594127069.db2.gz NXTCSHLSBLSCGK-WWGRRREGSA-N 1 0 335.404 1.865 20 5 EDBDRO [NH3+]CCCCCc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000823116047 594155796 /nfs/dbraw/zinc/15/57/96/594155796.db2.gz POSCPSNPJSVJKV-UHFFFAOYSA-N 1 0 347.375 1.508 20 5 EDBDRO C[C@@H]1[NH2+]CC[C@@H]1c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000823116005 594155811 /nfs/dbraw/zinc/15/58/11/594155811.db2.gz OVGSSOIUHPAKMP-GWCFXTLKSA-N 1 0 345.359 1.302 20 5 EDBDRO CC[NH+](CC)CCOC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000825256067 594156310 /nfs/dbraw/zinc/15/63/10/594156310.db2.gz WTAJWWWSRDTTDU-UHFFFAOYSA-N 1 0 337.376 1.518 20 5 EDBDRO C[NH+](C)CCC1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825891780 594270500 /nfs/dbraw/zinc/27/05/00/594270500.db2.gz SLAULLIZWRHOKB-INIZCTEOSA-N 1 0 335.404 1.819 20 5 EDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826570292 594529461 /nfs/dbraw/zinc/52/94/61/594529461.db2.gz YBTOUQQKLSCUQY-HOCLYGCPSA-N 1 0 335.404 1.961 20 5 EDBDRO O=C1CC[C@H]([NH+]2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)CCN1 ZINC000829352665 594601223 /nfs/dbraw/zinc/60/12/23/594601223.db2.gz YFQIWVTYGZVJHJ-LBPRGKRZSA-N 1 0 336.367 1.525 20 5 EDBDRO CCO[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000831713390 594695194 /nfs/dbraw/zinc/69/51/94/594695194.db2.gz LOJNLKZTFHLFOG-OWCLPIDISA-N 1 0 335.404 1.781 20 5 EDBDRO CCO[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000831777222 594702152 /nfs/dbraw/zinc/70/21/52/594702152.db2.gz UAMCNXIIIFWNJK-LBPRGKRZSA-N 1 0 325.365 1.057 20 5 EDBDRO CCO[C@@H](CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000831777416 594702286 /nfs/dbraw/zinc/70/22/86/594702286.db2.gz YWKJRSBYXNDYQY-LBPRGKRZSA-N 1 0 325.365 1.300 20 5 EDBDRO CCO[C@@H]1COC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000832455542 594751621 /nfs/dbraw/zinc/75/16/21/594751621.db2.gz KYXWXWOAEDNAPQ-ZIAGYGMSSA-N 1 0 341.339 1.456 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000832639768 594765958 /nfs/dbraw/zinc/76/59/58/594765958.db2.gz QMZMXVFPPRMIHX-ZDUSSCGKSA-N 1 0 348.403 1.113 20 5 EDBDRO C[C@@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000833426864 594846404 /nfs/dbraw/zinc/84/64/04/594846404.db2.gz RNZFHSFXYDMLLW-GUYCJALGSA-N 1 0 347.415 1.961 20 5 EDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000841244208 594875193 /nfs/dbraw/zinc/87/51/93/594875193.db2.gz OCLHCVUADBXORJ-GWCFXTLKSA-N 1 0 348.403 1.779 20 5 EDBDRO O=C(NC[C@H]1CCC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841936160 594985558 /nfs/dbraw/zinc/98/55/58/594985558.db2.gz FQMKIDLIDGOICM-CYBMUJFWSA-N 1 0 333.392 1.178 20 5 EDBDRO CCCC[C@H](C[NH3+])NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841959671 594990135 /nfs/dbraw/zinc/99/01/35/594990135.db2.gz ZLDKTSXZVNLQDP-CQSZACIVSA-N 1 0 349.435 1.944 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(-c3cn(C4CC[NH2+]CC4)nn3)n2)s1 ZINC000843219056 595040653 /nfs/dbraw/zinc/04/06/53/595040653.db2.gz RRKXIUJKWUCWLC-UHFFFAOYSA-N 1 0 347.360 1.889 20 5 EDBDRO COc1cc(Cc2noc(C3(C[NH3+])CC3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000843226069 595044042 /nfs/dbraw/zinc/04/40/42/595044042.db2.gz ULQAEHRBTWPIEO-UHFFFAOYSA-N 1 0 334.332 1.576 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000843350981 595083611 /nfs/dbraw/zinc/08/36/11/595083611.db2.gz CWNJXYDUSWQPCT-NEPJUHHUSA-N 1 0 334.332 1.778 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000842479888 595116307 /nfs/dbraw/zinc/11/63/07/595116307.db2.gz HXIISUHSHMMTNA-PSASIEDQSA-N 1 0 333.797 1.654 20 5 EDBDRO C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000842486351 595121199 /nfs/dbraw/zinc/12/11/99/595121199.db2.gz YDQIYKHPWSYAKM-NXEZZACHSA-N 1 0 347.824 1.854 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000843498932 595132265 /nfs/dbraw/zinc/13/22/65/595132265.db2.gz WDGCWUHFYPZHHZ-CABZTGNLSA-N 1 0 336.348 1.868 20 5 EDBDRO CN(C)c1cc(F)c(C(=O)N2CCC3(C[NH+](C)C3)C2)cc1[N+](=O)[O-] ZINC000834522698 595154146 /nfs/dbraw/zinc/15/41/46/595154146.db2.gz SVJKYYAOJDOPSO-UHFFFAOYSA-N 1 0 336.367 1.578 20 5 EDBDRO O=C([C@@H]1CCC[NH2+]CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846668984 595296688 /nfs/dbraw/zinc/29/66/88/595296688.db2.gz WBYXZNHVGPAHSH-CQSZACIVSA-N 1 0 332.404 1.633 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1Cl ZINC000848307107 595357746 /nfs/dbraw/zinc/35/77/46/595357746.db2.gz PUYDSEJPLAUODJ-WDEREUQCSA-N 1 0 339.779 1.448 20 5 EDBDRO CC[C@@H](C)NC(=[NH2+])NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000849081467 595479358 /nfs/dbraw/zinc/47/93/58/595479358.db2.gz AEYPITGGJRBKPL-SNVBAGLBSA-N 1 0 328.394 1.281 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC2CC1(C[NH3+])C2 ZINC000850591508 595541339 /nfs/dbraw/zinc/54/13/39/595541339.db2.gz XEOQNKGURVZALP-UHFFFAOYSA-N 1 0 345.808 1.668 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766868 595600683 /nfs/dbraw/zinc/60/06/83/595600683.db2.gz WSHOGLABVKOVAQ-BXKDBHETSA-N 1 0 329.303 1.681 20 5 EDBDRO CN(C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000857766169 595600987 /nfs/dbraw/zinc/60/09/87/595600987.db2.gz NBVXTYWEPAZAGR-GFCCVEGCSA-N 1 0 329.303 1.762 20 5 EDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857768263 595601483 /nfs/dbraw/zinc/60/14/83/595601483.db2.gz NXYVIXIQKFPMMH-VHSXEESVSA-N 1 0 329.303 1.905 20 5 EDBDRO C[C@]1(C[NH3+])CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857768516 595601684 /nfs/dbraw/zinc/60/16/84/595601684.db2.gz SRUKWIACFSVBSF-CYBMUJFWSA-N 1 0 329.303 1.764 20 5 EDBDRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000853080676 595658305 /nfs/dbraw/zinc/65/83/05/595658305.db2.gz CDAGOILCVFJMLP-QMMMGPOBSA-N 1 0 345.274 1.244 20 5 EDBDRO C[C@]1(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000853341697 595738627 /nfs/dbraw/zinc/73/86/27/595738627.db2.gz UPOIFLSBOAGBIH-ZDUSSCGKSA-N 1 0 326.740 1.055 20 5 EDBDRO O=[N+]([O-])c1cn(CN2CC[C@H]([NH+]3CCCC3)C2)nc1-c1ccccn1 ZINC000853493649 595768119 /nfs/dbraw/zinc/76/81/19/595768119.db2.gz CLUUDYBBOVRKMQ-AWEZNQCLSA-N 1 0 342.403 1.981 20 5 EDBDRO Cc1nn(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000853560180 595804450 /nfs/dbraw/zinc/80/44/50/595804450.db2.gz WFIFORCWFFOWDY-WFASDCNBSA-N 1 0 343.387 1.811 20 5 EDBDRO O=C1CCCN1C[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000853594145 595821660 /nfs/dbraw/zinc/82/16/60/595821660.db2.gz OZXRJIICUMWTQL-ZDUSSCGKSA-N 1 0 343.387 1.846 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000856073950 595888983 /nfs/dbraw/zinc/88/89/83/595888983.db2.gz YLUHVIVPJINHFL-JTQLQIEISA-N 1 0 335.389 1.814 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N(C)CC1C[NH+](C)C1 ZINC000853825937 595893236 /nfs/dbraw/zinc/89/32/36/595893236.db2.gz XCVHVNGEAKATKV-UHFFFAOYSA-N 1 0 338.320 1.287 20 5 EDBDRO C[NH+](C)CCC[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CCO1 ZINC000853990443 595943870 /nfs/dbraw/zinc/94/38/70/595943870.db2.gz OEKSDKRWXRSMPN-LLVKDONJSA-N 1 0 335.364 1.678 20 5 EDBDRO Cc1ccc([C@H](C)[NH2+]C[C@](O)(C(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000851905029 595969392 /nfs/dbraw/zinc/96/93/92/595969392.db2.gz BAVMZEYBXNAFGV-SCLBCKFNSA-N 1 0 343.383 1.927 20 5 EDBDRO CC[C@H]([NH2+]C)c1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000854161927 595994911 /nfs/dbraw/zinc/99/49/11/595994911.db2.gz WYDXLTUYCAZDQZ-JTQLQIEISA-N 1 0 329.320 1.896 20 5 EDBDRO O=C(CC[NH2+][C@@H](CO)C1CCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000852320407 596125025 /nfs/dbraw/zinc/12/50/25/596125025.db2.gz KFJLUWPOVVIGDJ-AWEZNQCLSA-N 1 0 325.340 1.813 20 5 EDBDRO O=C1OCCN1C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000852723360 596233268 /nfs/dbraw/zinc/23/32/68/596233268.db2.gz VHRRSTROZVSOGT-UHFFFAOYSA-N 1 0 335.360 1.890 20 5 EDBDRO COC(=O)C1=CC[C@H]([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000862466246 596333414 /nfs/dbraw/zinc/33/34/14/596333414.db2.gz XTEIMODYCLQBRN-LBPRGKRZSA-N 1 0 336.344 1.963 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000866822366 596365515 /nfs/dbraw/zinc/36/55/15/596365515.db2.gz FVXWLULXAXNXHC-VXGBXAGGSA-N 1 0 343.380 1.557 20 5 EDBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863031524 596490789 /nfs/dbraw/zinc/49/07/89/596490789.db2.gz HRHMMQDSEOKBRW-HZPDHXFCSA-N 1 0 333.388 1.761 20 5 EDBDRO Cc1c(C(=O)NCC2CC[NH2+]CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000120581964 596586555 /nfs/dbraw/zinc/58/65/55/596586555.db2.gz RUGLUDIPLOPUNL-UHFFFAOYSA-N 1 0 336.348 1.849 20 5 EDBDRO C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C1CC[NH2+]CC1 ZINC000868012153 596654241 /nfs/dbraw/zinc/65/42/41/596654241.db2.gz KCBYBRVNPRLNND-JTQLQIEISA-N 1 0 325.340 1.617 20 5 EDBDRO COCCC1(NC(=O)c2cc([N+](=O)[O-])c(C)s2)CC[NH2+]CC1 ZINC000868040624 596665321 /nfs/dbraw/zinc/66/53/21/596665321.db2.gz WPPHLJSWBHRIHS-UHFFFAOYSA-N 1 0 327.406 1.853 20 5 EDBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccnn1C ZINC000871926463 596744718 /nfs/dbraw/zinc/74/47/18/596744718.db2.gz IIPAPOCJJNUWJU-SMDDNHRTSA-N 1 0 329.360 1.784 20 5 EDBDRO COCCNC(=O)C1([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866373486 596868649 /nfs/dbraw/zinc/86/86/49/596868649.db2.gz NZYDKZXDEOMYCL-NSHDSACASA-N 1 0 339.367 1.550 20 5 EDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)C1CC1 ZINC000866376766 596869374 /nfs/dbraw/zinc/86/93/74/596869374.db2.gz YMFSFMYFPFMQRT-SNVBAGLBSA-N 1 0 330.381 1.832 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)[NH+]2CCCC2)cc1F ZINC000866490411 596892845 /nfs/dbraw/zinc/89/28/45/596892845.db2.gz OQZQBNDSKAINGT-NSHDSACASA-N 1 0 345.396 1.805 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000874362556 597033860 /nfs/dbraw/zinc/03/38/60/597033860.db2.gz AWGJTHPJPAILJI-HUUCEWRRSA-N 1 0 346.387 1.537 20 5 EDBDRO C[N@@H+]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CCC1(C)C ZINC000872695772 597035506 /nfs/dbraw/zinc/03/55/06/597035506.db2.gz YCLJHLSTFQXFMY-UHFFFAOYSA-N 1 0 334.376 1.876 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)CC[C@H]21 ZINC000872725948 597047665 /nfs/dbraw/zinc/04/76/65/597047665.db2.gz KGELCFVRFLODKV-HUUCEWRRSA-N 1 0 342.403 1.837 20 5 EDBDRO O=C(N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876586466 597251602 /nfs/dbraw/zinc/25/16/02/597251602.db2.gz FPCOOBCDZFQGHA-PBHICJAKSA-N 1 0 345.403 1.171 20 5 EDBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(=O)N1CCCC[C@H]1C ZINC000876997795 597407343 /nfs/dbraw/zinc/40/73/43/597407343.db2.gz HRPKIGWITITRRD-KBHBFKLGSA-N 1 0 335.408 1.874 20 5 EDBDRO C[C@H]([NH3+])CN(C)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000877099476 597432797 /nfs/dbraw/zinc/43/27/97/597432797.db2.gz HGWLYFAVPZDJML-QMMMGPOBSA-N 1 0 335.282 1.955 20 5 EDBDRO 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EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCC2(CO)CC2)cc1 ZINC000566855645 306430808 /nfs/dbraw/zinc/43/08/08/306430808.db2.gz KJEHWFPPMAHSRN-UHFFFAOYSA-N 1 0 328.390 1.121 20 5 EDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1C[NH2+]CCCO1 ZINC000415049882 304154678 /nfs/dbraw/zinc/15/46/78/304154678.db2.gz YHPDLRQYBFQYNQ-SWLSCSKDSA-N 1 0 336.392 1.280 20 5 EDBDRO CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2c[nH+]ccc21 ZINC000195345142 139015265 /nfs/dbraw/zinc/01/52/65/139015265.db2.gz XFHZAARBHFIXNV-UHFFFAOYSA-N 1 0 334.357 1.635 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000110355139 220033095 /nfs/dbraw/zinc/03/30/95/220033095.db2.gz PZJNUSHYKAGUQG-CYBMUJFWSA-N 1 0 345.403 1.736 20 5 EDBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000567293600 306445899 /nfs/dbraw/zinc/44/58/99/306445899.db2.gz HOXOEDPWEABTKK-UHFFFAOYSA-N 1 0 333.348 1.188 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000078760495 217115101 /nfs/dbraw/zinc/11/51/01/217115101.db2.gz ZNVHYGJCFTZXIA-LBPRGKRZSA-N 1 0 327.406 1.618 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000236655661 139027817 /nfs/dbraw/zinc/02/78/17/139027817.db2.gz KUMVXMAPLSJVEE-GFCCVEGCSA-N 1 0 329.422 1.897 20 5 EDBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000236708289 139029283 /nfs/dbraw/zinc/02/92/83/139029283.db2.gz HRWGEEBBLZSURZ-INIZCTEOSA-N 1 0 346.391 1.669 20 5 EDBDRO C[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000079247658 217202703 /nfs/dbraw/zinc/20/27/03/217202703.db2.gz KIBBPAUHHFOROL-UHFFFAOYSA-N 1 0 333.797 1.621 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CCC([NH3+])CC1 ZINC000237191000 139043497 /nfs/dbraw/zinc/04/34/97/139043497.db2.gz PPEACYASVXHRRT-UHFFFAOYSA-N 1 0 329.378 1.152 20 5 EDBDRO COc1ccc(C(=O)NCCC[NH2+]Cc2cccnc2)cc1[N+](=O)[O-] ZINC000237130153 139041604 /nfs/dbraw/zinc/04/16/04/139041604.db2.gz PPRUVAFYZDEQBY-UHFFFAOYSA-N 1 0 344.371 1.908 20 5 EDBDRO COC[C@@](C)(CCO)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000079921474 217263855 /nfs/dbraw/zinc/26/38/55/217263855.db2.gz UGDFYHPSMIRDET-MRXNPFEDSA-N 1 0 339.392 1.609 20 5 EDBDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000111220982 220114117 /nfs/dbraw/zinc/11/41/17/220114117.db2.gz LQVOFTHIULUAKM-VXGBXAGGSA-N 1 0 334.376 1.143 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237533570 139053449 /nfs/dbraw/zinc/05/34/49/139053449.db2.gz DDJPSTGZISCFIR-FOSCPWQOSA-N 1 0 325.390 1.465 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237667883 139057528 /nfs/dbraw/zinc/05/75/28/139057528.db2.gz PAKWGIREIHVGGT-FOSCPWQOSA-N 1 0 325.390 1.465 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415251969 304179459 /nfs/dbraw/zinc/17/94/59/304179459.db2.gz AMQLZOZYSXVOQW-AWEZNQCLSA-N 1 0 347.419 1.723 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000246574168 139113541 /nfs/dbraw/zinc/11/35/41/139113541.db2.gz MOPSDQJMJJYXIP-QMTHXVAHSA-N 1 0 327.406 1.651 20 5 EDBDRO NC(=O)c1ccc(CN2CCS[C@@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000246710639 139118185 /nfs/dbraw/zinc/11/81/85/139118185.db2.gz FFAXQZWXQBJSIX-TZMCWYRMSA-N 1 0 337.401 1.400 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000246986381 139129736 /nfs/dbraw/zinc/12/97/36/139129736.db2.gz MYIRQWOHLNXPNJ-WCQYABFASA-N 1 0 337.405 1.488 20 5 EDBDRO COC(=O)[C@@H]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000249154455 139188037 /nfs/dbraw/zinc/18/80/37/139188037.db2.gz YJAKKZWQLTXMPQ-GXTWGEPZSA-N 1 0 349.387 1.973 20 5 EDBDRO C[C@@]1(C[NH3+])CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000261612616 139210834 /nfs/dbraw/zinc/21/08/34/139210834.db2.gz CIMMLFVJLLCJCP-AWEZNQCLSA-N 1 0 326.784 1.857 20 5 EDBDRO C[C@]1(C[NH3+])CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000261612617 139210844 /nfs/dbraw/zinc/21/08/44/139210844.db2.gz CIMMLFVJLLCJCP-CQSZACIVSA-N 1 0 326.784 1.857 20 5 EDBDRO COC(=O)COc1ccc(CN2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000261638448 139213502 /nfs/dbraw/zinc/21/35/02/139213502.db2.gz AASMQUDTPHYKPU-ZDUSSCGKSA-N 1 0 337.376 1.460 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000261648242 139214155 /nfs/dbraw/zinc/21/41/55/139214155.db2.gz DYYLSCGDDWLSKT-MNOVXSKESA-N 1 0 341.389 1.118 20 5 EDBDRO C[NH2+]CCC1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000261655622 139214786 /nfs/dbraw/zinc/21/47/86/139214786.db2.gz FVEFHWITAOJPHE-UHFFFAOYSA-N 1 0 341.433 1.746 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCOc3c(F)cccc32)c1 ZINC000569111987 306496859 /nfs/dbraw/zinc/49/68/59/306496859.db2.gz HQIHEZLMGWEGRE-FZMZJTMJSA-N 1 0 336.323 1.405 20 5 EDBDRO C[C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000261791557 139226509 /nfs/dbraw/zinc/22/65/09/139226509.db2.gz MANVQAVPNQXPOZ-TZMCWYRMSA-N 1 0 343.387 1.980 20 5 EDBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000261810024 139227966 /nfs/dbraw/zinc/22/79/66/139227966.db2.gz RKPYEJUTGDUBNH-OAHLLOKOSA-N 1 0 343.387 1.527 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)C1(n2cccn2)CC[NH2+]CC1 ZINC000261944185 139239073 /nfs/dbraw/zinc/23/90/73/139239073.db2.gz NGTZHIOBZWMXQW-UHFFFAOYSA-N 1 0 343.387 1.229 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261941069 139238732 /nfs/dbraw/zinc/23/87/32/139238732.db2.gz MVNASAFTLJQZLZ-BZUAXINKSA-N 1 0 335.404 1.850 20 5 EDBDRO COc1cccc(C[C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000569213843 306499736 /nfs/dbraw/zinc/49/97/36/306499736.db2.gz GDEBWWNOBJKAMY-DOMZBBRYSA-N 1 0 334.376 1.382 20 5 EDBDRO C[C@]1(C[NH3+])CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000262125070 139253037 /nfs/dbraw/zinc/25/30/37/139253037.db2.gz WLJQAGULKDEZHH-MRXNPFEDSA-N 1 0 330.344 1.660 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000415499154 250974332 /nfs/dbraw/zinc/97/43/32/250974332.db2.gz JNYQPOOAYJDTCJ-CABZTGNLSA-N 1 0 338.364 1.838 20 5 EDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262161996 139256356 /nfs/dbraw/zinc/25/63/56/139256356.db2.gz JGPKQVCWBAXAEP-INIZCTEOSA-N 1 0 331.376 1.884 20 5 EDBDRO CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000415543138 250998855 /nfs/dbraw/zinc/99/88/55/250998855.db2.gz WOOPERXHOQGOIN-CYBMUJFWSA-N 1 0 348.403 1.684 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000415560365 251013048 /nfs/dbraw/zinc/01/30/48/251013048.db2.gz LLGRMDPQEIMWOI-MNOVXSKESA-N 1 0 334.376 1.305 20 5 EDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262285095 139266511 /nfs/dbraw/zinc/26/65/11/139266511.db2.gz VHKTWDKRMXPNGQ-UKRRQHHQSA-N 1 0 347.419 1.383 20 5 EDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262311405 139269051 /nfs/dbraw/zinc/26/90/51/139269051.db2.gz CXHTVCUFTPWUEN-NWDGAFQWSA-N 1 0 329.360 1.603 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000417843984 251295530 /nfs/dbraw/zinc/29/55/30/251295530.db2.gz HGHUTHSNWBNHTH-OCCSQVGLSA-N 1 0 335.408 1.167 20 5 EDBDRO [NH3+][C@@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000417993507 251318399 /nfs/dbraw/zinc/31/83/99/251318399.db2.gz QHFZQAQAZITPSA-GFCCVEGCSA-N 1 0 326.784 1.923 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000262522254 139284082 /nfs/dbraw/zinc/28/40/82/139284082.db2.gz OFNHXQZVXVWFTM-UWVGGRQHSA-N 1 0 345.808 1.478 20 5 EDBDRO CN(C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000262576154 139287778 /nfs/dbraw/zinc/28/77/78/139287778.db2.gz JQGIUOWPPFNSJP-CYBMUJFWSA-N 1 0 329.360 1.429 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262594649 139288949 /nfs/dbraw/zinc/28/89/49/139288949.db2.gz WSXYFQXNDRIGKI-NSHDSACASA-N 1 0 336.392 1.156 20 5 EDBDRO CCCN(c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000420224310 251648468 /nfs/dbraw/zinc/64/84/68/251648468.db2.gz WXZSHBMLECOPGF-SECBINFHSA-N 1 0 333.435 1.638 20 5 EDBDRO COc1cc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000420459251 251730785 /nfs/dbraw/zinc/73/07/85/251730785.db2.gz QOVPBVUFMGNYJV-UWVGGRQHSA-N 1 0 329.378 1.009 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000262763358 139301822 /nfs/dbraw/zinc/30/18/22/139301822.db2.gz KCPKLWMWHWVIFV-NEPJUHHUSA-N 1 0 327.406 1.488 20 5 EDBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000112363908 220314376 /nfs/dbraw/zinc/31/43/76/220314376.db2.gz UCFAPTOTHNXTJY-UHFFFAOYSA-N 1 0 329.422 1.913 20 5 EDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H](N4CC[NH2+]CC4)C3)c21 ZINC000420251913 285159312 /nfs/dbraw/zinc/15/93/12/285159312.db2.gz MTOYPFWHSBIFDS-LBPRGKRZSA-N 1 0 328.376 1.022 20 5 EDBDRO COc1ccc(CSCC(=O)N[C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000449590344 254642374 /nfs/dbraw/zinc/64/23/74/254642374.db2.gz OQSWFKZUOPPRJR-VHSXEESVSA-N 1 0 327.406 1.689 20 5 EDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000493331460 255204817 /nfs/dbraw/zinc/20/48/17/255204817.db2.gz DHTYKURXHQEHGV-OMDKTOEGSA-N 1 0 348.378 1.253 20 5 EDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000493272380 255200976 /nfs/dbraw/zinc/20/09/76/255200976.db2.gz NPZICWRRIWTOQK-BYTACQFHSA-N 1 0 333.388 1.522 20 5 EDBDRO CS(=O)(=O)N1CC(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000495187245 255271724 /nfs/dbraw/zinc/27/17/24/255271724.db2.gz DPCGOOPYLPKGCR-XQRVVYSFSA-N 1 0 325.390 1.089 20 5 EDBDRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118109077 221120021 /nfs/dbraw/zinc/12/00/21/221120021.db2.gz SCUDETLJRNJGTE-UHFFFAOYSA-N 1 0 328.756 1.255 20 5 EDBDRO C[NH+](C)C1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000154894891 224322748 /nfs/dbraw/zinc/32/27/48/224322748.db2.gz XGSVAXCUKHLEEB-UHFFFAOYSA-N 1 0 335.404 1.754 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415864847 304282459 /nfs/dbraw/zinc/28/24/59/304282459.db2.gz IISROYAYDBXSFB-CHWSQXEVSA-N 1 0 346.387 1.164 20 5 EDBDRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178652153 533367106 /nfs/dbraw/zinc/36/71/06/533367106.db2.gz HKIQMLIFIKGCTM-GFCCVEGCSA-N 1 0 341.433 1.917 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@](C)(O)CN1CCOCC1 ZINC000344857089 533409287 /nfs/dbraw/zinc/40/92/87/533409287.db2.gz LMLZKAJMGQBQLL-SPQRHKFCSA-N 1 0 349.431 1.671 20 5 EDBDRO CS[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270386207 140090582 /nfs/dbraw/zinc/09/05/82/140090582.db2.gz RBXLVZWEBYVBAV-IUCAKERBSA-N 1 0 327.435 1.786 20 5 EDBDRO COCC[N@@H+](CCc1ccccc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270587167 140128965 /nfs/dbraw/zinc/12/89/65/140128965.db2.gz SECIJCCSMPBCNX-UHFFFAOYSA-N 1 0 345.399 1.948 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)n1 ZINC000270812419 140174123 /nfs/dbraw/zinc/17/41/23/140174123.db2.gz PSXWTFXTCQUJGK-UHFFFAOYSA-N 1 0 347.375 1.658 20 5 EDBDRO O=C(NCCCO)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000271050892 140227029 /nfs/dbraw/zinc/22/70/29/140227029.db2.gz PEYINZHATMQLLF-ZZXKWVIFSA-N 1 0 347.415 1.819 20 5 EDBDRO CCOC(=O)CCCNC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000271627936 140322979 /nfs/dbraw/zinc/32/29/79/140322979.db2.gz DZUKDUFJZVUEES-GFCCVEGCSA-N 1 0 337.376 1.705 20 5 EDBDRO CC1(C)CCC[N@H+](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000331283863 141003413 /nfs/dbraw/zinc/00/34/13/141003413.db2.gz RZBXWDXGGZPNHZ-UHFFFAOYSA-N 1 0 341.433 1.995 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000332093972 141121838 /nfs/dbraw/zinc/12/18/38/141121838.db2.gz BFHDXCFWRPVPTN-RBSFLKMASA-N 1 0 346.387 1.204 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000332303654 141159077 /nfs/dbraw/zinc/15/90/77/141159077.db2.gz ZZIIXSUUEPBEPH-NEPJUHHUSA-N 1 0 333.392 1.358 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000332470489 141187250 /nfs/dbraw/zinc/18/72/50/141187250.db2.gz JWWNZKGFHVFKJC-DGCLKSJQSA-N 1 0 349.387 1.507 20 5 EDBDRO CC[C@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C(C)(C)O ZINC000339540240 142071102 /nfs/dbraw/zinc/07/11/02/142071102.db2.gz OSIWRGWRFFYUAE-AWEZNQCLSA-N 1 0 340.376 1.786 20 5 EDBDRO C[C@H](O)C[N@H+](C)C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000346393154 143200146 /nfs/dbraw/zinc/20/01/46/143200146.db2.gz CSYWYKCQDWKMEC-JTQLQIEISA-N 1 0 328.800 1.925 20 5 EDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000346608194 143221674 /nfs/dbraw/zinc/22/16/74/143221674.db2.gz CJVOZYUSAAOBPX-PKIAMQTDSA-N 1 0 346.387 1.508 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1-c1nc(CC2=[NH+][C@@H]3CCCC[C@@H]3N2)no1 ZINC000346939343 143263944 /nfs/dbraw/zinc/26/39/44/143263944.db2.gz NGKZNQNDQRQGQJ-DTORHVGOSA-N 1 0 331.336 1.234 20 5 EDBDRO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000347050696 143276605 /nfs/dbraw/zinc/27/66/05/143276605.db2.gz RCGYNYHWZXYNAH-UXIGCNINSA-N 1 0 338.360 1.218 20 5 EDBDRO O=C(NCC[N@H+]1CC=CCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000347265394 143301692 /nfs/dbraw/zinc/30/16/92/143301692.db2.gz JSSIKNHMWMHLMA-UHFFFAOYSA-N 1 0 342.359 1.167 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1Cc1nc([C@H]2CN3CCC[C@]3(C)CO2)no1 ZINC000347323251 143308467 /nfs/dbraw/zinc/30/84/67/143308467.db2.gz APONZHHCNPROSO-IAQYHMDHSA-N 1 0 348.363 1.457 20 5 EDBDRO C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000369880424 155216024 /nfs/dbraw/zinc/21/60/24/155216024.db2.gz ALXWUOXTRVJQCD-WBVHZDCISA-N 1 0 348.447 1.652 20 5 EDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000352569951 149069071 /nfs/dbraw/zinc/06/90/71/149069071.db2.gz ACCMPKDUQQNBOL-CYBMUJFWSA-N 1 0 341.433 1.351 20 5 EDBDRO Cc1nn(C)c(C(=O)Nc2cccc(OCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000352801026 149169782 /nfs/dbraw/zinc/16/97/82/149169782.db2.gz JEVHKPVBXUYPGY-UHFFFAOYSA-N 1 0 347.375 1.829 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)cc1[N+](=O)[O-] ZINC000355048867 150092086 /nfs/dbraw/zinc/09/20/86/150092086.db2.gz FUXQAJYMCROPDX-RISCZKNCSA-N 1 0 338.360 1.349 20 5 EDBDRO CC[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[N@H+](C)Cc1ccccc1 ZINC000355233862 150176470 /nfs/dbraw/zinc/17/64/70/150176470.db2.gz TULGTAQUDBLFEZ-MRXNPFEDSA-N 1 0 345.403 1.818 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)[C@H]2C1 ZINC000355358563 150231715 /nfs/dbraw/zinc/23/17/15/150231715.db2.gz BMKIWUSWPKVFEG-HOTGVXAUSA-N 1 0 333.388 1.838 20 5 EDBDRO COC(=O)COc1ccc(CN2C[C@H]3CCC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000355756119 150387217 /nfs/dbraw/zinc/38/72/17/150387217.db2.gz KNHGYRGCEFZZPV-KGLIPLIRSA-N 1 0 349.387 1.330 20 5 EDBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccsc1 ZINC000356447820 150642705 /nfs/dbraw/zinc/64/27/05/150642705.db2.gz PSTLGFNRKLPKIQ-GFCCVEGCSA-N 1 0 335.389 1.865 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000358270058 151322289 /nfs/dbraw/zinc/32/22/89/151322289.db2.gz VXWGAZQJCYWXEW-DFBGVHRSSA-N 1 0 348.403 1.816 20 5 EDBDRO C[NH+](C)[C@@H]1CCc2cc(NC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)ccc21 ZINC000574034133 306640743 /nfs/dbraw/zinc/64/07/43/306640743.db2.gz QFQKRURRLLPPNA-NVXWUHKLSA-N 1 0 345.403 1.813 20 5 EDBDRO C[C@@]1([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)NC(=O)NC1=O ZINC000360403412 152023446 /nfs/dbraw/zinc/02/34/46/152023446.db2.gz XIBBZCFDICCCIS-WBMJQRKESA-N 1 0 332.360 1.405 20 5 EDBDRO C[C@]1([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)NC(=O)NC1=O ZINC000360403411 152024118 /nfs/dbraw/zinc/02/41/18/152024118.db2.gz XIBBZCFDICCCIS-MLGOLLRUSA-N 1 0 332.360 1.405 20 5 EDBDRO COc1ccc([C@@H]2[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC[N@@H+]2C)cc1 ZINC000360536301 152085944 /nfs/dbraw/zinc/08/59/44/152085944.db2.gz JFRIPKJRRKRUFH-RKTXRCNFSA-N 1 0 347.415 1.860 20 5 EDBDRO CNc1c(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000360940202 152259100 /nfs/dbraw/zinc/25/91/00/152259100.db2.gz CNIQKRZFWORZEV-CHWSQXEVSA-N 1 0 338.433 1.754 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000362998983 152876495 /nfs/dbraw/zinc/87/64/95/152876495.db2.gz YFPCRKRKMSKHSV-NWDGAFQWSA-N 1 0 337.351 1.856 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2Cn2cncn2)c1 ZINC000363827652 153068295 /nfs/dbraw/zinc/06/82/95/153068295.db2.gz XECIWNOJYZOBER-HUUCEWRRSA-N 1 0 347.375 1.091 20 5 EDBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCN([C@@H]2CCOC2)CC1 ZINC000363900724 153090462 /nfs/dbraw/zinc/09/04/62/153090462.db2.gz OXXNPRIASUMFLV-GFCCVEGCSA-N 1 0 339.779 1.795 20 5 EDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000364465863 153244935 /nfs/dbraw/zinc/24/49/35/153244935.db2.gz CZCKNIAMBRAKFW-KBPBESRZSA-N 1 0 348.403 1.254 20 5 EDBDRO C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000574271636 306646312 /nfs/dbraw/zinc/64/63/12/306646312.db2.gz WFEUZMHYQBNVTJ-MNOVXSKESA-N 1 0 330.431 1.852 20 5 EDBDRO COC(=O)CN1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000370236715 155393081 /nfs/dbraw/zinc/39/30/81/155393081.db2.gz QUJXMEOSITWMHH-UHFFFAOYSA-N 1 0 337.376 1.154 20 5 EDBDRO O=C(CC[N@@H+]1CC[C@H](n2cncn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000372363314 156352925 /nfs/dbraw/zinc/35/29/25/156352925.db2.gz CBMTZGQEWQUIDJ-AWEZNQCLSA-N 1 0 330.348 1.462 20 5 EDBDRO CN1CCN(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)C(=O)C1 ZINC000374741475 157384302 /nfs/dbraw/zinc/38/43/02/157384302.db2.gz ASAQZUHRDYOIDO-UHFFFAOYSA-N 1 0 332.404 1.333 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000377739682 157981990 /nfs/dbraw/zinc/98/19/90/157981990.db2.gz STHXBPAVRVMCJW-CMPLNLGQSA-N 1 0 334.332 1.493 20 5 EDBDRO O=C(CC[NH2+]CCOC[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000576029937 306675814 /nfs/dbraw/zinc/67/58/14/306675814.db2.gz HKKJXPWUYSQNFL-ZDUSSCGKSA-N 1 0 337.376 1.709 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000408462489 158368392 /nfs/dbraw/zinc/36/83/92/158368392.db2.gz DJEXKALGLJZPQA-PBHICJAKSA-N 1 0 344.415 1.971 20 5 EDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417933951 304434091 /nfs/dbraw/zinc/43/40/91/304434091.db2.gz FCQVFAVGOCASAR-KKNUOHPOSA-N 1 0 332.404 1.952 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000272546362 161557754 /nfs/dbraw/zinc/55/77/54/161557754.db2.gz YNJUOTOJVHAMSI-LBPRGKRZSA-N 1 0 348.403 1.408 20 5 EDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000090005698 287145073 /nfs/dbraw/zinc/14/50/73/287145073.db2.gz UQFGKJHTRKESNM-NSHDSACASA-N 1 0 332.360 1.672 20 5 EDBDRO CN1CC[NH+](CCCCNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087103512 287318441 /nfs/dbraw/zinc/31/84/41/287318441.db2.gz XDQMENKDIUBFDL-UHFFFAOYSA-N 1 0 348.447 1.671 20 5 EDBDRO O=C(NC[C@H]1CCC[NH2+]C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418307973 304477841 /nfs/dbraw/zinc/47/78/41/304477841.db2.gz AXFOVVQDYOEHDP-AWEZNQCLSA-N 1 0 347.419 1.426 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)Cn1cccc([N+](=O)[O-])c1=O)c1ccccc1 ZINC000171415020 227067301 /nfs/dbraw/zinc/06/73/01/227067301.db2.gz DLSVDAQIZXGWTE-HNNXBMFYSA-N 1 0 344.371 1.176 20 5 EDBDRO CNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000121795487 221935422 /nfs/dbraw/zinc/93/54/22/221935422.db2.gz GETKEHRMKRTQHI-CYBMUJFWSA-N 1 0 334.420 1.764 20 5 EDBDRO C[C@H]1C[C@H](N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000123351310 222262203 /nfs/dbraw/zinc/26/22/03/222262203.db2.gz NERCUBJEXGOOCM-DZGCQCFKSA-N 1 0 346.431 1.898 20 5 EDBDRO Cc1nc(N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000129484082 287475281 /nfs/dbraw/zinc/47/52/81/287475281.db2.gz MLFJWQPJLBRHED-ZDUSSCGKSA-N 1 0 337.424 1.803 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000130950708 287502123 /nfs/dbraw/zinc/50/21/23/287502123.db2.gz AUMDJXIDBOXVGN-AAEUAGOBSA-N 1 0 327.406 1.484 20 5 EDBDRO O=[N+]([O-])c1cnc(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)nc1 ZINC000273719496 268077285 /nfs/dbraw/zinc/07/72/85/268077285.db2.gz GLNRCZBEIHLQJH-HOCLYGCPSA-N 1 0 343.387 1.680 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CCO1 ZINC000274843647 268221063 /nfs/dbraw/zinc/22/10/63/268221063.db2.gz XCWBAVQBZRSRKK-AWEZNQCLSA-N 1 0 348.403 1.385 20 5 EDBDRO CC[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@@H+]1C[C@@H](C)O ZINC000275420171 268340599 /nfs/dbraw/zinc/34/05/99/268340599.db2.gz UBSAWGSPQUBLTG-CHWSQXEVSA-N 1 0 334.420 1.844 20 5 EDBDRO CCN(CCC[NH+](CC)CC)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000276538469 268439728 /nfs/dbraw/zinc/43/97/28/268439728.db2.gz ZLWJICDVEJPFIX-UHFFFAOYSA-N 1 0 338.408 1.337 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279005381 268765769 /nfs/dbraw/zinc/76/57/69/268765769.db2.gz MTGUFMBKDZOKAK-LBPRGKRZSA-N 1 0 329.360 1.367 20 5 EDBDRO CCC(=O)c1ccc(N2CCN(C(=O)C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000280126047 268915872 /nfs/dbraw/zinc/91/58/72/268915872.db2.gz XGTMHYLPJHCEIW-UHFFFAOYSA-N 1 0 348.403 1.398 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCSC2)cc1 ZINC000273442520 273040255 /nfs/dbraw/zinc/04/02/55/273040255.db2.gz NBPWLHNLNNMWFN-LLVKDONJSA-N 1 0 330.431 1.854 20 5 EDBDRO CC(C)[NH+]1CCC(Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000273455049 273040859 /nfs/dbraw/zinc/04/08/59/273040859.db2.gz GYYHAACKXCGCMI-UHFFFAOYSA-N 1 0 342.421 1.527 20 5 EDBDRO Cc1c(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)cccc1[N+](=O)[O-] ZINC000275905098 273133072 /nfs/dbraw/zinc/13/30/72/273133072.db2.gz USILGOJVWOYYKK-UHFFFAOYSA-N 1 0 334.376 1.442 20 5 EDBDRO CC(C)(O)C[NH+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000106401839 272920916 /nfs/dbraw/zinc/92/09/16/272920916.db2.gz OLPVYXAMCNDPGR-VMPITWQZSA-N 1 0 333.388 1.523 20 5 EDBDRO COc1cc(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c([N+](=O)[O-])cc1O ZINC000279669075 273316166 /nfs/dbraw/zinc/31/61/66/273316166.db2.gz HKYUNSZNLPNVHD-LBPRGKRZSA-N 1 0 337.376 1.657 20 5 EDBDRO CO[C@@H]1C[C@@H](CO)[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000284523900 274233163 /nfs/dbraw/zinc/23/31/63/274233163.db2.gz GAGVIYBGEUALBF-QWHCGFSZSA-N 1 0 337.376 1.313 20 5 EDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000285238661 274491511 /nfs/dbraw/zinc/49/15/11/274491511.db2.gz GKIWHOGWPVZKSV-TZMCWYRMSA-N 1 0 339.417 1.842 20 5 EDBDRO Cn1cc([C@@H]2CN(c3nccc4c3cccc4[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000424417245 274894187 /nfs/dbraw/zinc/89/41/87/274894187.db2.gz WWPAALQRJYYZMS-LSDHHAIUSA-N 1 0 338.371 1.808 20 5 EDBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CCC([NH2+]CCO)CC3)cc2N1 ZINC000181237308 275018516 /nfs/dbraw/zinc/01/85/16/275018516.db2.gz ORLVTMMNGSMXSH-UHFFFAOYSA-N 1 0 334.376 1.030 20 5 EDBDRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])CN1 ZINC000363147421 275020736 /nfs/dbraw/zinc/02/07/36/275020736.db2.gz UCJFYWXUKPZTEJ-KBPBESRZSA-N 1 0 333.388 1.964 20 5 EDBDRO O=[N+]([O-])c1cncc(Br)c1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261600043 275041787 /nfs/dbraw/zinc/04/17/87/275041787.db2.gz PSYXICOBTLANBH-LBPRGKRZSA-N 1 0 327.182 1.942 20 5 EDBDRO CC[NH+](CC)CC1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357317706 276323521 /nfs/dbraw/zinc/32/35/21/276323521.db2.gz QZJVNSRAIMAQPL-UHFFFAOYSA-N 1 0 335.408 1.647 20 5 EDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000286051773 287923647 /nfs/dbraw/zinc/92/36/47/287923647.db2.gz LIPFGVMIZXFNLQ-HFBDOXOYSA-N 1 0 325.340 1.615 20 5 EDBDRO CNC(=O)c1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000268897393 277258895 /nfs/dbraw/zinc/25/88/95/277258895.db2.gz ZECSHCUGKLJLTP-UONOGXRCSA-N 1 0 332.404 1.875 20 5 EDBDRO COc1c(C(=O)NCC2([NH+](C)C)CCOCC2)cccc1[N+](=O)[O-] ZINC000356148961 277361214 /nfs/dbraw/zinc/36/12/14/277361214.db2.gz LPBNBNZIELYQAZ-UHFFFAOYSA-N 1 0 337.376 1.444 20 5 EDBDRO COc1cc(CCNC(=O)/C=C\C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000491890726 277375822 /nfs/dbraw/zinc/37/58/22/277375822.db2.gz HVZXPGOPUNVGCF-WAYWQWQTSA-N 1 0 337.376 1.389 20 5 EDBDRO C[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367434330 279882010 /nfs/dbraw/zinc/88/20/10/279882010.db2.gz GPUIWUAHQDSIDB-ZFWWWQNUSA-N 1 0 333.436 1.639 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1C ZINC000261824663 280655488 /nfs/dbraw/zinc/65/54/88/280655488.db2.gz AVYFIFVCBISRKQ-NWDGAFQWSA-N 1 0 327.406 1.583 20 5 EDBDRO Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)cc1[N+](=O)[O-] ZINC000289394722 288690464 /nfs/dbraw/zinc/69/04/64/288690464.db2.gz FNBGTCOCLDQFKY-UHFFFAOYSA-N 1 0 332.360 1.419 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000290668481 288933914 /nfs/dbraw/zinc/93/39/14/288933914.db2.gz CYYDDZDMNZESHC-XHDPSFHLSA-N 1 0 348.403 1.504 20 5 EDBDRO C[NH+](C)[C@H]1CN(c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1O ZINC000292363178 289326235 /nfs/dbraw/zinc/32/62/35/289326235.db2.gz OVVVMWKYYZLTTK-RYUDHWBXSA-N 1 0 330.182 1.468 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc([N+](=O)[O-])s1 ZINC000378228795 289331079 /nfs/dbraw/zinc/33/10/79/289331079.db2.gz YBJUEPCRDFBHCN-GRYCIOLGSA-N 1 0 339.417 1.980 20 5 EDBDRO [NH3+]CCNC(=O)[C@H]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000262063718 295234645 /nfs/dbraw/zinc/23/46/45/295234645.db2.gz FESTVKONJRPKTI-JTQLQIEISA-N 1 0 326.784 1.540 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000419272455 304585336 /nfs/dbraw/zinc/58/53/36/304585336.db2.gz PQFKGDCUYVTCLV-DYEKYZERSA-N 1 0 348.403 1.276 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000419282449 304585915 /nfs/dbraw/zinc/58/59/15/304585915.db2.gz YMNBRDBEFOTTIJ-VHRBIJSZSA-N 1 0 348.403 1.195 20 5 EDBDRO CCCN(C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C)[C@H]1CC[NH2+]C1 ZINC000419757510 304680619 /nfs/dbraw/zinc/68/06/19/304680619.db2.gz IWAVCOJVQBBPIQ-AWEZNQCLSA-N 1 0 348.403 1.120 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000419762738 304681944 /nfs/dbraw/zinc/68/19/44/304681944.db2.gz SRHXJOXGOZYVRK-ABAIWWIYSA-N 1 0 348.403 1.105 20 5 EDBDRO [NH3+]C1CCN(c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)CC1 ZINC000420108805 304738539 /nfs/dbraw/zinc/73/85/39/304738539.db2.gz AEDZCWOIEQSBOK-UHFFFAOYSA-N 1 0 349.778 1.722 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000171629206 302042513 /nfs/dbraw/zinc/04/25/13/302042513.db2.gz GBOAZIOYBSOZMA-NSHDSACASA-N 1 0 327.406 1.651 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000262496162 302045020 /nfs/dbraw/zinc/04/50/20/302045020.db2.gz LMEXJJHFPFCJSE-VXGBXAGGSA-N 1 0 325.390 1.133 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000184309995 302046417 /nfs/dbraw/zinc/04/64/17/302046417.db2.gz VKOHTXWJSUMIHR-TUAOUCFPSA-N 1 0 325.390 1.261 20 5 EDBDRO C[C@@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000295041183 303166129 /nfs/dbraw/zinc/16/61/29/303166129.db2.gz SCHQDBXYIZKWHS-DOMZBBRYSA-N 1 0 333.388 1.966 20 5 EDBDRO COC[C@@]1(C(=O)OC)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295142931 303179085 /nfs/dbraw/zinc/17/90/85/303179085.db2.gz LFXIZBSPHUPCJE-GDBMZVCRSA-N 1 0 338.360 1.140 20 5 EDBDRO Cc1nn(C)c(N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000377736780 447328907 /nfs/dbraw/zinc/32/89/07/447328907.db2.gz CKGUMMLQKKYDEJ-IACUBPJLSA-N 1 0 337.424 1.938 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423986875 304922671 /nfs/dbraw/zinc/92/26/71/304922671.db2.gz YKRDGOAKAPLKGB-ZFWWWQNUSA-N 1 0 332.404 1.997 20 5 EDBDRO Cc1c(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)cccc1[N+](=O)[O-] ZINC000424085988 304928339 /nfs/dbraw/zinc/92/83/39/304928339.db2.gz ZTIPFNXGXGPGKI-LLVKDONJSA-N 1 0 330.348 1.672 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000428679925 305014406 /nfs/dbraw/zinc/01/44/06/305014406.db2.gz LZPSFIFJSZSUAZ-LBPRGKRZSA-N 1 0 341.433 1.919 20 5 EDBDRO O=C(C[NH2+][C@@H]1Cc2cccc(O)c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000429237726 305026210 /nfs/dbraw/zinc/02/62/10/305026210.db2.gz OOZPYWCUFLVEGA-GFCCVEGCSA-N 1 0 327.340 1.996 20 5 EDBDRO CCCC[C@@H](C[NH3+])NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000429631925 305033553 /nfs/dbraw/zinc/03/35/53/305033553.db2.gz YLMPLQCMCDAVAN-LBPRGKRZSA-N 1 0 337.376 1.542 20 5 EDBDRO COc1ccc(NC(=O)CN(C)CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430568406 305056068 /nfs/dbraw/zinc/05/60/68/305056068.db2.gz KKVNFTTUYHCLTN-CYBMUJFWSA-N 1 0 338.408 1.847 20 5 EDBDRO COc1ccc(NC(=O)CN2CCCC[C@H]2[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000430619554 305059261 /nfs/dbraw/zinc/05/92/61/305059261.db2.gz GIZIVBYGOQBMJM-FZMZJTMJSA-N 1 0 336.392 1.744 20 5 EDBDRO C[NH2+][C@@H]1CCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000430628691 305060258 /nfs/dbraw/zinc/06/02/58/305060258.db2.gz PCPLFPZYXZNSEK-SNVBAGLBSA-N 1 0 331.319 1.999 20 5 EDBDRO C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000430964888 305071406 /nfs/dbraw/zinc/07/14/06/305071406.db2.gz JKHARBGERXLKBY-MWLCHTKSSA-N 1 0 326.784 1.856 20 5 EDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431038055 305073591 /nfs/dbraw/zinc/07/35/91/305073591.db2.gz RCCXLXZNKNZCAF-UHFFFAOYSA-N 1 0 339.417 1.500 20 5 EDBDRO Cc1cc(NCC(=O)NCC[NH+]2CCCCCC2)ncc1[N+](=O)[O-] ZINC000431490747 305078123 /nfs/dbraw/zinc/07/81/23/305078123.db2.gz NIVBUUSFTGPBIU-UHFFFAOYSA-N 1 0 335.408 1.702 20 5 EDBDRO COc1cc(C[NH2+]C[C@]2(O)CCO[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000433203515 305103017 /nfs/dbraw/zinc/10/30/17/305103017.db2.gz CBAOXMMKMARGLV-ZUZCIYMTSA-N 1 0 326.349 1.242 20 5 EDBDRO COC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000434788448 305130370 /nfs/dbraw/zinc/13/03/70/305130370.db2.gz WOZVOPBHKCBCFW-HUUCEWRRSA-N 1 0 337.376 1.707 20 5 EDBDRO CN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000439594087 305200612 /nfs/dbraw/zinc/20/06/12/305200612.db2.gz IGQCBZLLFHTURC-AWEZNQCLSA-N 1 0 332.360 1.228 20 5 EDBDRO C[C@H]1CCCN1C(=O)CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440491697 305207924 /nfs/dbraw/zinc/20/79/24/305207924.db2.gz RQBXSVUKJPDXBY-UONOGXRCSA-N 1 0 347.419 1.877 20 5 EDBDRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])o1 ZINC000440514680 305208876 /nfs/dbraw/zinc/20/88/76/305208876.db2.gz LYFSPOLGPLYSBS-KRWDZBQOSA-N 1 0 345.355 1.555 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000440766268 305212514 /nfs/dbraw/zinc/21/25/14/305212514.db2.gz XYRGLGVECWOUCU-CYBMUJFWSA-N 1 0 339.417 1.727 20 5 EDBDRO CCN(CC)S(=O)(=O)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449139711 305307617 /nfs/dbraw/zinc/30/76/17/305307617.db2.gz BBFDHNOOJJBCBG-CYBMUJFWSA-N 1 0 343.449 1.787 20 5 EDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000449318540 305311350 /nfs/dbraw/zinc/31/13/50/305311350.db2.gz HAFKRZSAUJJOIN-BLQFLSLASA-N 1 0 346.387 1.636 20 5 EDBDRO CC1(C)CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC[NH2+]1 ZINC000450080402 305324048 /nfs/dbraw/zinc/32/40/48/305324048.db2.gz CLLZSBQOVVWCMP-UHFFFAOYSA-N 1 0 329.360 1.809 20 5 EDBDRO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451404455 305343940 /nfs/dbraw/zinc/34/39/40/305343940.db2.gz GKXLRLKGCYKUTQ-CKYFFXLPSA-N 1 0 336.314 1.815 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000451409766 305344354 /nfs/dbraw/zinc/34/43/54/305344354.db2.gz BAKJDKPONAAIRU-FMKPAKJESA-N 1 0 333.388 1.819 20 5 EDBDRO CC(C)(C[NH+]1CCCC1)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000452096110 305382426 /nfs/dbraw/zinc/38/24/26/305382426.db2.gz MQASISIJSNMKLG-UHFFFAOYSA-N 1 0 346.431 1.948 20 5 EDBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000452388799 305396922 /nfs/dbraw/zinc/39/69/22/305396922.db2.gz KNYVNXYXIQZMIN-ZDUSSCGKSA-N 1 0 346.387 1.653 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCOCC[NH+](C)C ZINC000471649052 305537837 /nfs/dbraw/zinc/53/78/37/305537837.db2.gz XJINKUBNRNLVDU-UHFFFAOYSA-N 1 0 345.421 1.014 20 5 EDBDRO CCCCn1cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)n1 ZINC000516761400 305741177 /nfs/dbraw/zinc/74/11/77/305741177.db2.gz CYKOWTMDNQAXGK-HNNXBMFYSA-N 1 0 336.396 1.247 20 5 EDBDRO CCOc1cc(C(=O)N[C@@](C)(C[NH3+])C2CC2)c([N+](=O)[O-])cc1OC ZINC000518962880 305765251 /nfs/dbraw/zinc/76/52/51/305765251.db2.gz OILANXAYLSSIAI-INIZCTEOSA-N 1 0 337.376 1.859 20 5 EDBDRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])C2)C1 ZINC000555407217 306201897 /nfs/dbraw/zinc/20/18/97/306201897.db2.gz WSFNPQWJTKWSPA-CQSZACIVSA-N 1 0 340.405 1.096 20 5 EDBDRO CN1CC[NH2+]C[C@H]1CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414963478 447375744 /nfs/dbraw/zinc/37/57/44/447375744.db2.gz KWBNCEVHKZMPIT-ZDUSSCGKSA-N 1 0 330.388 1.848 20 5 EDBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000456584979 447417862 /nfs/dbraw/zinc/41/78/62/447417862.db2.gz QIPAOXMGSOKDHX-OAHLLOKOSA-N 1 0 349.431 1.736 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000008121708 441083113 /nfs/dbraw/zinc/08/31/13/441083113.db2.gz DPDYEJUVAOWEOL-UHFFFAOYSA-N 1 0 326.356 1.881 20 5 EDBDRO CC(C)[N@H+](C)CCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000102062338 441165048 /nfs/dbraw/zinc/16/50/48/441165048.db2.gz LPCKPLFCJCRKOV-UHFFFAOYSA-N 1 0 349.435 1.767 20 5 EDBDRO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](C2CC2)CC1 ZINC000014327098 441183167 /nfs/dbraw/zinc/18/31/67/441183167.db2.gz YUZLJAJCTGBXNL-UHFFFAOYSA-N 1 0 340.405 1.281 20 5 EDBDRO COC(=O)c1cc(C(=O)NCC[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000047139934 441158327 /nfs/dbraw/zinc/15/83/27/441158327.db2.gz LMKYJNJNCPHOBV-UHFFFAOYSA-N 1 0 335.360 1.597 20 5 EDBDRO O=C(C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)N1CCOCC1 ZINC000015297749 441198867 /nfs/dbraw/zinc/19/88/67/441198867.db2.gz CDQLPPVVAKDHBL-UHFFFAOYSA-N 1 0 333.388 1.666 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3nccs3)CCCC2)c1 ZINC000081577877 441293035 /nfs/dbraw/zinc/29/30/35/441293035.db2.gz VCGNQXWRXXPFAG-LBPRGKRZSA-N 1 0 337.405 1.668 20 5 EDBDRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000062587149 441305527 /nfs/dbraw/zinc/30/55/27/441305527.db2.gz ANDOXGHQLYEGJS-VIFPVBQESA-N 1 0 342.783 1.643 20 5 EDBDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000050998824 441395360 /nfs/dbraw/zinc/39/53/60/441395360.db2.gz LVOMQBMCROBGKG-AWEZNQCLSA-N 1 0 348.403 1.432 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000063850611 441357823 /nfs/dbraw/zinc/35/78/23/441357823.db2.gz LQOOZRKAWGNMQF-LBPRGKRZSA-N 1 0 327.406 1.605 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000064305650 441371131 /nfs/dbraw/zinc/37/11/31/441371131.db2.gz RIYUQFMIUNEUBY-UHFFFAOYSA-N 1 0 346.387 1.538 20 5 EDBDRO NC(=O)c1ccc(C[NH2+]C2(CO)Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000074326776 441422035 /nfs/dbraw/zinc/42/20/35/441422035.db2.gz JPMYEZQUCOLDCI-UHFFFAOYSA-N 1 0 341.367 1.313 20 5 EDBDRO Cc1n[nH]c(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000085456760 441442751 /nfs/dbraw/zinc/44/27/51/441442751.db2.gz FDTFPEDAVQCMCB-QWRGUYRKSA-N 1 0 339.396 1.246 20 5 EDBDRO COc1cc(OCC(=O)NC[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000108344734 441447837 /nfs/dbraw/zinc/44/78/37/441447837.db2.gz RPLNPIYPKVDMTR-GFCCVEGCSA-N 1 0 337.376 1.440 20 5 EDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000109120973 441489183 /nfs/dbraw/zinc/48/91/83/441489183.db2.gz ONHXKIQBZNBAFK-LBPRGKRZSA-N 1 0 344.375 1.247 20 5 EDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000087392622 441490297 /nfs/dbraw/zinc/49/02/97/441490297.db2.gz AJUPMSLTWALQSH-MRXNPFEDSA-N 1 0 347.415 1.708 20 5 EDBDRO C[C@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000088694838 441517547 /nfs/dbraw/zinc/51/75/47/441517547.db2.gz WGZFESZPIVBANT-FZMZJTMJSA-N 1 0 327.406 1.651 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000032435811 441556877 /nfs/dbraw/zinc/55/68/77/441556877.db2.gz GXYVJIKYMSMXSK-LLVKDONJSA-N 1 0 345.421 1.612 20 5 EDBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000054222978 441564408 /nfs/dbraw/zinc/56/44/08/441564408.db2.gz TVRSTESJGZUJTM-HIFRSBDPSA-N 1 0 343.387 1.743 20 5 EDBDRO CC(C)[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)[NH+]1CCN(C)CC1 ZINC000112914469 441566146 /nfs/dbraw/zinc/56/61/46/441566146.db2.gz DODHHFHSVNSYAK-INIZCTEOSA-N 1 0 349.435 1.179 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CC1 ZINC000067155835 441612262 /nfs/dbraw/zinc/61/22/62/441612262.db2.gz SSUJMWJCINCDSQ-CYBMUJFWSA-N 1 0 335.360 1.436 20 5 EDBDRO Cc1n[nH]c(C2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)n1 ZINC000090552165 441633992 /nfs/dbraw/zinc/63/39/92/441633992.db2.gz DWMVXCIWLTXACF-UHFFFAOYSA-N 1 0 332.364 1.063 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000067429152 441639346 /nfs/dbraw/zinc/63/93/46/441639346.db2.gz SIFXMPIWKGQFKL-UHFFFAOYSA-N 1 0 341.433 1.921 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000068227650 441757395 /nfs/dbraw/zinc/75/73/95/441757395.db2.gz RWISEDBLYKSMEX-RWMBFGLXSA-N 1 0 337.424 1.582 20 5 EDBDRO O=C([C@H]1CC12CC[NH2+]CC2)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000137256708 441759762 /nfs/dbraw/zinc/75/97/62/441759762.db2.gz XUKWLUXIEOXBDR-GXTWGEPZSA-N 1 0 345.403 1.392 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000043146190 441822619 /nfs/dbraw/zinc/82/26/19/441822619.db2.gz VMJYAEYJFHCHCR-ZDUSSCGKSA-N 1 0 335.408 1.742 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000139976522 441830079 /nfs/dbraw/zinc/83/00/79/441830079.db2.gz LXLXAYNKGDLJNM-ZFWWWQNUSA-N 1 0 332.404 1.610 20 5 EDBDRO COC1(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]CC1 ZINC000150791409 441952510 /nfs/dbraw/zinc/95/25/10/441952510.db2.gz YPSQJKVQMUQYNS-UHFFFAOYSA-N 1 0 341.795 1.975 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000079032288 442010750 /nfs/dbraw/zinc/01/07/50/442010750.db2.gz HWFOIEMPJWXCSG-HNNXBMFYSA-N 1 0 348.403 1.171 20 5 EDBDRO O=C(CC[NH+]1CCC(n2cncn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000120600369 442101918 /nfs/dbraw/zinc/10/19/18/442101918.db2.gz OGVCPXXEYIEOPJ-UHFFFAOYSA-N 1 0 344.375 1.852 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000152397842 442207169 /nfs/dbraw/zinc/20/71/69/442207169.db2.gz GAGIDZTZZMOZRN-UHFFFAOYSA-N 1 0 338.408 1.359 20 5 EDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1cnn(C)c1 ZINC000127848728 442229168 /nfs/dbraw/zinc/22/91/68/442229168.db2.gz QAQAPBIXIFRZHZ-LBPRGKRZSA-N 1 0 331.376 1.878 20 5 EDBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000154198749 442326300 /nfs/dbraw/zinc/32/63/00/442326300.db2.gz QXLMHPXYERLICN-AWEZNQCLSA-N 1 0 337.424 1.808 20 5 EDBDRO CCC(CC)(C[NH3+])NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000154446315 442340243 /nfs/dbraw/zinc/34/02/43/442340243.db2.gz WOVQVNFLHIAEKS-UHFFFAOYSA-N 1 0 337.376 1.542 20 5 EDBDRO CC[N@H+](CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000132611081 442397303 /nfs/dbraw/zinc/39/73/03/442397303.db2.gz AKRTWOVQRUPNLZ-GFCCVEGCSA-N 1 0 333.392 1.487 20 5 EDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000156160348 442451821 /nfs/dbraw/zinc/45/18/21/442451821.db2.gz QOPFDIIHZVIIAZ-BDAKNGLRSA-N 1 0 333.797 1.749 20 5 EDBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000156506721 442488203 /nfs/dbraw/zinc/48/82/03/442488203.db2.gz CTGNNRCBVBJBRF-AWEZNQCLSA-N 1 0 348.403 1.642 20 5 EDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186523919 442552393 /nfs/dbraw/zinc/55/23/93/442552393.db2.gz ZXXVWVOJGGOZAP-JTQLQIEISA-N 1 0 329.360 1.828 20 5 EDBDRO CCCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CC[NH2+]C1 ZINC000178912479 442522577 /nfs/dbraw/zinc/52/25/77/442522577.db2.gz GTEPHGLZWGVMAM-HNNXBMFYSA-N 1 0 343.387 1.995 20 5 EDBDRO C[N@H+](CCC1CC1)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000135295645 442576390 /nfs/dbraw/zinc/57/63/90/442576390.db2.gz ZLCKWNRIJHPTIK-UHFFFAOYSA-N 1 0 346.431 1.975 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000173023094 442588166 /nfs/dbraw/zinc/58/81/66/442588166.db2.gz MODIPTGFVGGRPI-CYBMUJFWSA-N 1 0 339.417 1.499 20 5 EDBDRO CC[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000135641642 442620910 /nfs/dbraw/zinc/62/09/10/442620910.db2.gz RHNQGQWFLVJQRC-AWEZNQCLSA-N 1 0 343.387 1.885 20 5 EDBDRO C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000157863124 442622717 /nfs/dbraw/zinc/62/27/17/442622717.db2.gz XXLHRNHXFXWYRP-IUODEOHRSA-N 1 0 336.392 1.232 20 5 EDBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000173255186 442634218 /nfs/dbraw/zinc/63/42/18/442634218.db2.gz SWAVCKSVRSAVHP-IUODEOHRSA-N 1 0 341.433 1.946 20 5 EDBDRO CC[NH+](CC)CCCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000192699094 442677870 /nfs/dbraw/zinc/67/78/70/442677870.db2.gz VYNWECOZTYCAFJ-UHFFFAOYSA-N 1 0 345.421 1.614 20 5 EDBDRO COC(=O)COc1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000187744935 442690000 /nfs/dbraw/zinc/69/00/00/442690000.db2.gz KBDNEBDXFZVHSF-UHFFFAOYSA-N 1 0 348.359 1.475 20 5 EDBDRO CC(C)C[NH+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181499873 442700338 /nfs/dbraw/zinc/70/03/38/442700338.db2.gz FXWIJLVBGBKANT-OAHLLOKOSA-N 1 0 337.420 1.608 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000181549661 442703110 /nfs/dbraw/zinc/70/31/10/442703110.db2.gz KMCXJCBKADFUHR-ZFWWWQNUSA-N 1 0 336.388 1.835 20 5 EDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181975896 442724578 /nfs/dbraw/zinc/72/45/78/442724578.db2.gz MIOJRTBFAFFSQX-PMPSAXMXSA-N 1 0 349.431 1.893 20 5 EDBDRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000188212995 442724962 /nfs/dbraw/zinc/72/49/62/442724962.db2.gz WOIAIICBSOGWQD-GFCCVEGCSA-N 1 0 327.406 1.748 20 5 EDBDRO CSc1cccc(C(=O)NC[C@@](C)(O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000188251268 442729588 /nfs/dbraw/zinc/72/95/88/442729588.db2.gz KKSVQUUPKCUAJX-CQSZACIVSA-N 1 0 327.406 1.359 20 5 EDBDRO CCC1(CO)CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182302526 442755357 /nfs/dbraw/zinc/75/53/57/442755357.db2.gz VXLSELUJVKGUTK-CQSZACIVSA-N 1 0 338.404 1.819 20 5 EDBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000193580342 442755745 /nfs/dbraw/zinc/75/57/45/442755745.db2.gz ZJVZLYMKXINRCZ-GFCCVEGCSA-N 1 0 340.449 1.660 20 5 EDBDRO O=C(NCCC[NH+]1CCCC1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000182628151 442798545 /nfs/dbraw/zinc/79/85/45/442798545.db2.gz AGISNNXYMGVZBT-MRXNPFEDSA-N 1 0 346.387 1.690 20 5 EDBDRO C[N@H+]1C[C@H]2CN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]2C1 ZINC000193599481 442757893 /nfs/dbraw/zinc/75/78/93/442757893.db2.gz XGWOGYMMWXZHTK-ZENOOKHLSA-N 1 0 330.388 1.194 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000247133754 442837267 /nfs/dbraw/zinc/83/72/67/442837267.db2.gz RVDHGVRFGAHMAT-CHWSQXEVSA-N 1 0 339.417 1.700 20 5 EDBDRO CCOC(=O)c1cc(NC[C@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000268178390 442886858 /nfs/dbraw/zinc/88/68/58/442886858.db2.gz KMCGEBBQDMGEKR-ZDUSSCGKSA-N 1 0 336.392 1.429 20 5 EDBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000194703874 442940513 /nfs/dbraw/zinc/94/05/13/442940513.db2.gz HTMGMVMMDOFGJF-CQSZACIVSA-N 1 0 348.447 1.907 20 5 EDBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000249180417 442958918 /nfs/dbraw/zinc/95/89/18/442958918.db2.gz NBTZURGZISWNGR-OLZOCXBDSA-N 1 0 341.433 1.994 20 5 EDBDRO COc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1OC ZINC000265930390 442973084 /nfs/dbraw/zinc/97/30/84/442973084.db2.gz FVWRBLBHMWILEU-GFCCVEGCSA-N 1 0 337.376 1.778 20 5 EDBDRO COc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000265940860 442976969 /nfs/dbraw/zinc/97/69/69/442976969.db2.gz JEDUDDQLRGGGGA-YPMHNXCESA-N 1 0 349.387 1.921 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000249597595 442993643 /nfs/dbraw/zinc/99/36/43/442993643.db2.gz XGVPARRIUVHVPK-SMDDNHRTSA-N 1 0 337.376 1.635 20 5 EDBDRO C[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH+](C)C ZINC000266203007 443056592 /nfs/dbraw/zinc/05/65/92/443056592.db2.gz OTNWSWSKTLHEAB-BONVTDFDSA-N 1 0 344.371 1.871 20 5 EDBDRO CSc1ccc(C(=O)NCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000297100231 318750805 /nfs/dbraw/zinc/75/08/05/318750805.db2.gz XEVOEVXXWBHLCJ-UHFFFAOYSA-N 1 0 339.417 1.503 20 5 EDBDRO CCc1ccc([C@@H](COC)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000184779122 443075375 /nfs/dbraw/zinc/07/53/75/443075375.db2.gz QZMOIJPWNPBXHX-GXTWGEPZSA-N 1 0 338.364 1.285 20 5 EDBDRO C[C@H](C[S@](C)=O)N(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000185141368 443147023 /nfs/dbraw/zinc/14/70/23/443147023.db2.gz ZEKPNVTYZHWWOV-XFNZEKPQSA-N 1 0 327.406 1.256 20 5 EDBDRO C[C@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC000255725873 443108674 /nfs/dbraw/zinc/10/86/74/443108674.db2.gz BKUDZWURZPSNML-IDTUSYRASA-N 1 0 346.431 1.608 20 5 EDBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000266415737 443120905 /nfs/dbraw/zinc/12/09/05/443120905.db2.gz RGKZYYDYQRVTGJ-CYBMUJFWSA-N 1 0 332.360 1.836 20 5 EDBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000266415739 443121252 /nfs/dbraw/zinc/12/12/52/443121252.db2.gz RGKZYYDYQRVTGJ-ZDUSSCGKSA-N 1 0 332.360 1.836 20 5 EDBDRO C[C@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000298716570 318841983 /nfs/dbraw/zinc/84/19/83/318841983.db2.gz IVKAEFSHFMGWKW-LLVKDONJSA-N 1 0 342.421 1.386 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000237205925 443164484 /nfs/dbraw/zinc/16/44/84/443164484.db2.gz NRFISHUMJRWVNC-LBPRGKRZSA-N 1 0 327.406 1.523 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000261918052 443174311 /nfs/dbraw/zinc/17/43/11/443174311.db2.gz REDSZUPLTQRXDK-CHWSQXEVSA-N 1 0 339.417 1.442 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000237662862 443178382 /nfs/dbraw/zinc/17/83/82/443178382.db2.gz QMDWWFGSLAZQCF-LBPRGKRZSA-N 1 0 327.406 1.571 20 5 EDBDRO CN(C)C(=O)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237147226 443161307 /nfs/dbraw/zinc/16/13/07/443161307.db2.gz PTAQMDSQQWDOAK-UHFFFAOYSA-N 1 0 331.376 1.563 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c1 ZINC000245447311 443229094 /nfs/dbraw/zinc/22/90/94/443229094.db2.gz LYZVLNFKJKUIRE-NVXWUHKLSA-N 1 0 346.387 1.134 20 5 EDBDRO C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000185731782 443246760 /nfs/dbraw/zinc/24/67/60/443246760.db2.gz NPTPMZYSMLMMNX-CYBMUJFWSA-N 1 0 341.433 1.994 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000411247367 319174812 /nfs/dbraw/zinc/17/48/12/319174812.db2.gz UXUDJJHXNXISKM-HNNXBMFYSA-N 1 0 348.403 1.607 20 5 EDBDRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000411661694 319193258 /nfs/dbraw/zinc/19/32/58/319193258.db2.gz AQOYOIOUGIAKFG-GFCCVEGCSA-N 1 0 334.376 1.381 20 5 EDBDRO CC[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000185798891 443259148 /nfs/dbraw/zinc/25/91/48/443259148.db2.gz OTJGKQDJRLPVFE-WBVHZDCISA-N 1 0 330.388 1.989 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000415686965 319363895 /nfs/dbraw/zinc/36/38/95/319363895.db2.gz IFTSJXIVKRJVPB-MRXNPFEDSA-N 1 0 334.376 1.347 20 5 EDBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415962358 319385650 /nfs/dbraw/zinc/38/56/50/319385650.db2.gz TVUCHZAXTBDYSZ-UHFFFAOYSA-N 1 0 348.338 1.398 20 5 EDBDRO COCCN(C)c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000191364893 443284892 /nfs/dbraw/zinc/28/48/92/443284892.db2.gz AOSMRUIDDZQQSY-UHFFFAOYSA-N 1 0 334.380 1.059 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000264488927 443307438 /nfs/dbraw/zinc/30/74/38/443307438.db2.gz IZOFMIOUUYFPDG-AWEZNQCLSA-N 1 0 346.387 1.386 20 5 EDBDRO CC(C)(C)OC1CC([NH2+][C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272446290 443321106 /nfs/dbraw/zinc/32/11/06/443321106.db2.gz PCEZDVKZXMHDHB-GDVJOBBMSA-N 1 0 338.404 1.925 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000264598337 443340598 /nfs/dbraw/zinc/34/05/98/443340598.db2.gz XIBSAVOZEIOKOY-LBPRGKRZSA-N 1 0 339.417 1.524 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000264686334 443374457 /nfs/dbraw/zinc/37/44/57/443374457.db2.gz BDVJMKMPIHDISU-GFCCVEGCSA-N 1 0 328.376 1.678 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000278614150 443378591 /nfs/dbraw/zinc/37/85/91/443378591.db2.gz LZWXCJLQOXGXIB-NWDGAFQWSA-N 1 0 346.387 1.603 20 5 EDBDRO C[NH+]1CCC(C)(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000272562605 443364525 /nfs/dbraw/zinc/36/45/25/443364525.db2.gz UEUQDWZLMMKUFI-UHFFFAOYSA-N 1 0 331.376 1.933 20 5 EDBDRO Cc1cc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278582796 443368574 /nfs/dbraw/zinc/36/85/74/443368574.db2.gz PBTPYIIJHGNPPL-QWHCGFSZSA-N 1 0 336.392 1.822 20 5 EDBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CCCO1 ZINC000278728937 443416114 /nfs/dbraw/zinc/41/61/14/443416114.db2.gz WFIBHQVZHYZJQN-GFCCVEGCSA-N 1 0 336.392 1.408 20 5 EDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420368546 319611412 /nfs/dbraw/zinc/61/14/12/319611412.db2.gz NPWSQAPGNJGCDS-LALPHHSUSA-N 1 0 341.433 1.345 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000420449744 319621222 /nfs/dbraw/zinc/62/12/22/319621222.db2.gz NZGMGCUXQAOBQP-SECBINFHSA-N 1 0 333.797 1.669 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2(OCCO)CCOCC2)c1 ZINC000282814795 443441376 /nfs/dbraw/zinc/44/13/76/443441376.db2.gz YCNYHCROQFIYQI-UHFFFAOYSA-N 1 0 344.795 1.896 20 5 EDBDRO C[NH+](C)CCCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000264933978 443482060 /nfs/dbraw/zinc/48/20/60/443482060.db2.gz TYIYABUMDOYFDM-UHFFFAOYSA-N 1 0 331.376 1.852 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])cc([N+](=O)[O-])c1C ZINC000423503181 319779629 /nfs/dbraw/zinc/77/96/29/319779629.db2.gz FPOSSIHEQCUNTI-CHWSQXEVSA-N 1 0 337.376 1.490 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N[C@@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000273049656 443528360 /nfs/dbraw/zinc/52/83/60/443528360.db2.gz JICKVYLGDXYUGT-LBPRGKRZSA-N 1 0 336.392 1.089 20 5 EDBDRO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423830308 319819413 /nfs/dbraw/zinc/81/94/13/319819413.db2.gz UHLLSYOBKOZZPG-UVBJJODRSA-N 1 0 330.388 1.795 20 5 EDBDRO COc1ccc(CN2CCN(c3ncc([N+](=O)[O-])cn3)CC2)cc1F ZINC000273195100 443559835 /nfs/dbraw/zinc/55/98/35/443559835.db2.gz QNAZNWFYBWAFSV-UHFFFAOYSA-N 1 0 347.350 1.855 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272401826 443614643 /nfs/dbraw/zinc/61/46/43/443614643.db2.gz ZNTILCKSAMUCGA-IUODEOHRSA-N 1 0 346.387 1.394 20 5 EDBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[NH+](C)C ZINC000445517445 320130207 /nfs/dbraw/zinc/13/02/07/320130207.db2.gz CJNDJZNGDUEFOV-SECBINFHSA-N 1 0 344.209 1.966 20 5 EDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000448764117 320157626 /nfs/dbraw/zinc/15/76/26/320157626.db2.gz QMTLNVIEIBJPKI-GFCCVEGCSA-N 1 0 329.360 1.462 20 5 EDBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1CC1 ZINC000448792627 320160406 /nfs/dbraw/zinc/16/04/06/320160406.db2.gz DNZGTJJMMPGVGH-UHFFFAOYSA-N 1 0 329.360 1.605 20 5 EDBDRO Cc1nn(CCC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C)c1[N+](=O)[O-] ZINC000449199229 320177975 /nfs/dbraw/zinc/17/79/75/320177975.db2.gz FLDCHYQRDVHZRY-LSDHHAIUSA-N 1 0 349.435 1.646 20 5 EDBDRO COc1cc(OCC(=O)N[C@H](CC[NH3+])C(F)F)ccc1[N+](=O)[O-] ZINC000449612742 320194598 /nfs/dbraw/zinc/19/45/98/320194598.db2.gz OHJCLUYNRLMJMS-SECBINFHSA-N 1 0 333.291 1.081 20 5 EDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000449614550 320194814 /nfs/dbraw/zinc/19/48/14/320194814.db2.gz HVLXTLDCPINPNT-BRMWTDIGSA-N 1 0 347.371 1.612 20 5 EDBDRO Cc1ccc(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)cc1[N+](=O)[O-] ZINC000449702097 320200266 /nfs/dbraw/zinc/20/02/66/320200266.db2.gz RPRVVEIELPEETO-INIZCTEOSA-N 1 0 346.431 1.690 20 5 EDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449752269 320205351 /nfs/dbraw/zinc/20/53/51/320205351.db2.gz MNEIECDFTARMGV-AWEZNQCLSA-N 1 0 329.360 1.651 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000452098216 320241212 /nfs/dbraw/zinc/24/12/12/320241212.db2.gz AILLSEXLICDLMZ-OAHLLOKOSA-N 1 0 341.433 1.839 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491564311 320372322 /nfs/dbraw/zinc/37/23/22/320372322.db2.gz WUBBXRVOPUAENI-HWYHOQROSA-N 1 0 333.388 1.835 20 5 EDBDRO C[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000492707006 320383190 /nfs/dbraw/zinc/38/31/90/320383190.db2.gz PUOCWFIVHSCFCT-WBTMPAOCSA-N 1 0 347.415 1.912 20 5 EDBDRO Cc1nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000286273332 443681293 /nfs/dbraw/zinc/68/12/93/443681293.db2.gz GJVABDRMIAOGME-AGUYFDCRSA-N 1 0 347.419 1.794 20 5 EDBDRO CC[NH+](CC)CC(=O)N1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000283783421 443718294 /nfs/dbraw/zinc/71/82/94/443718294.db2.gz QTNUAWQUJBQAEU-UHFFFAOYSA-N 1 0 335.408 1.167 20 5 EDBDRO COC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000280488756 443726251 /nfs/dbraw/zinc/72/62/51/443726251.db2.gz BBFMSADKGXRWBT-TZMCWYRMSA-N 1 0 349.387 1.973 20 5 EDBDRO CN1C[C@@H]2[C@@H](CCC[N@@H+]2CCCOc2ccc([N+](=O)[O-])cc2)C1=O ZINC000284889203 443792353 /nfs/dbraw/zinc/79/23/53/443792353.db2.gz RBVWOJBRCWPSIR-HZPDHXFCSA-N 1 0 333.388 1.916 20 5 EDBDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000284957250 443798130 /nfs/dbraw/zinc/79/81/30/443798130.db2.gz KVAMOMYEDMNOEV-NSHDSACASA-N 1 0 335.389 1.946 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000298622791 443820711 /nfs/dbraw/zinc/82/07/11/443820711.db2.gz ZINWLBAJAMLWKV-KBPBESRZSA-N 1 0 346.387 1.585 20 5 EDBDRO CN(C(=O)[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000281234219 443855507 /nfs/dbraw/zinc/85/55/07/443855507.db2.gz UFRLUCCGVLMKIY-AWEZNQCLSA-N 1 0 343.387 1.776 20 5 EDBDRO CC[NH+]1CCN(CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000299072740 443946565 /nfs/dbraw/zinc/94/65/65/443946565.db2.gz WUTLTMJRWJLUIX-UHFFFAOYSA-N 1 0 345.403 1.443 20 5 EDBDRO COCCOCCOCCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285237124 443907742 /nfs/dbraw/zinc/90/77/42/443907742.db2.gz PMCRYNUNRCTKJL-CYBMUJFWSA-N 1 0 341.408 1.897 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000277203656 443935991 /nfs/dbraw/zinc/93/59/91/443935991.db2.gz PXAUMMSUZWDDRM-GFCCVEGCSA-N 1 0 341.433 1.919 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000285376663 443961450 /nfs/dbraw/zinc/96/14/50/443961450.db2.gz WFLGKEJYKNXELX-KBPBESRZSA-N 1 0 335.360 1.149 20 5 EDBDRO Cc1c(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000277942593 444067958 /nfs/dbraw/zinc/06/79/58/444067958.db2.gz ZNBLBLSPTNMBBN-HOTGVXAUSA-N 1 0 330.388 1.845 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O ZINC000289199471 444075772 /nfs/dbraw/zinc/07/57/72/444075772.db2.gz BFWYIAHRGHOETQ-YOEHRIQHSA-N 1 0 346.387 1.856 20 5 EDBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000282096419 444085152 /nfs/dbraw/zinc/08/51/52/444085152.db2.gz YYBCVNIHIXZBAG-GFCCVEGCSA-N 1 0 344.375 1.377 20 5 EDBDRO CC(=O)N1CCC[C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000564864840 321153218 /nfs/dbraw/zinc/15/32/18/321153218.db2.gz UDQIULZGCXKIAB-CQSZACIVSA-N 1 0 348.403 1.772 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H](C[NH2+]C)C2)cc1[N+](=O)[O-] ZINC000568393075 321289693 /nfs/dbraw/zinc/28/96/93/321289693.db2.gz WCGHSBISBQDINJ-NSHDSACASA-N 1 0 327.406 1.387 20 5 EDBDRO Cc1ccc(OCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000571026119 321367546 /nfs/dbraw/zinc/36/75/46/321367546.db2.gz HHYBNPJQFLHTRS-HNNXBMFYSA-N 1 0 334.376 1.438 20 5 EDBDRO C[NH+](C)CCOc1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1F ZINC000571860314 321403451 /nfs/dbraw/zinc/40/34/51/321403451.db2.gz HLZPLAMRBYBBHF-UHFFFAOYSA-N 1 0 337.311 1.650 20 5 EDBDRO COc1ncccc1CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000573480225 321456194 /nfs/dbraw/zinc/45/61/94/321456194.db2.gz IEMJEMQEIHKJSI-HNNXBMFYSA-N 1 0 347.371 1.570 20 5 EDBDRO CCc1nn(C)c(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000301361751 444166878 /nfs/dbraw/zinc/16/68/78/444166878.db2.gz OINYLQVPZRLAIJ-AWEZNQCLSA-N 1 0 338.456 1.575 20 5 EDBDRO COc1cc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1C ZINC000285843290 444127043 /nfs/dbraw/zinc/12/70/43/444127043.db2.gz PZJHWBBYHSOTQV-GJZGRUSLSA-N 1 0 349.387 1.457 20 5 EDBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301593057 444181328 /nfs/dbraw/zinc/18/13/28/444181328.db2.gz RDSHEKSRJFJVKG-QWHCGFSZSA-N 1 0 343.387 1.666 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000302104757 444204283 /nfs/dbraw/zinc/20/42/83/444204283.db2.gz RMZOZEDUZBIRLA-RYUDHWBXSA-N 1 0 337.376 1.273 20 5 EDBDRO CCC[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000290238834 444258028 /nfs/dbraw/zinc/25/80/28/444258028.db2.gz SKUCWBQANXWGDO-AWEZNQCLSA-N 1 0 329.422 1.917 20 5 EDBDRO CN(C)S(=O)(=O)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000290099199 444242401 /nfs/dbraw/zinc/24/24/01/444242401.db2.gz HVUFIPVGXJAHRK-CQSZACIVSA-N 1 0 341.433 1.397 20 5 EDBDRO O=C(NCC1CC[NH2+]CC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000577475255 321655079 /nfs/dbraw/zinc/65/50/79/321655079.db2.gz IAOKBWJHEPVMAU-UHFFFAOYSA-N 1 0 334.376 1.498 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000318926482 444321887 /nfs/dbraw/zinc/32/18/87/444321887.db2.gz OVZLDAXJMACWEH-GFCCVEGCSA-N 1 0 327.406 1.666 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000577724813 321676663 /nfs/dbraw/zinc/67/66/63/321676663.db2.gz AGESTIAUCKGYDG-DOMZBBRYSA-N 1 0 334.376 1.367 20 5 EDBDRO C[C@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000577753442 321679991 /nfs/dbraw/zinc/67/99/91/321679991.db2.gz FSDNWDHDCCLSJW-ZDUSSCGKSA-N 1 0 332.404 1.632 20 5 EDBDRO CC[C@H](C)[N@H+](C)CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000290612831 444301634 /nfs/dbraw/zinc/30/16/34/444301634.db2.gz KLSVFVZVCVDJOI-JTQLQIEISA-N 1 0 330.410 1.384 20 5 EDBDRO O=c1[nH]cnc2cc(N3CC[C@H]4C[NH2+]C[C@H]4CC3)c([N+](=O)[O-])cc21 ZINC000326469828 444376053 /nfs/dbraw/zinc/37/60/53/444376053.db2.gz MJXJVUHQGMCJCW-PHIMTYICSA-N 1 0 329.360 1.679 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000320615313 444331433 /nfs/dbraw/zinc/33/14/33/444331433.db2.gz YVDMGNYVKQIWNS-YUMQZZPRSA-N 1 0 335.813 1.961 20 5 EDBDRO C[N@H+](CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000298122772 444422986 /nfs/dbraw/zinc/42/29/86/444422986.db2.gz MYFXBVJYYUAVSZ-UHFFFAOYSA-N 1 0 340.767 1.397 20 5 EDBDRO CNC(=O)c1ccc(NCCC[NH2+]Cc2cccnc2)c([N+](=O)[O-])c1 ZINC000327057787 444380133 /nfs/dbraw/zinc/38/01/33/444380133.db2.gz WAVPFOCTUNLAFK-UHFFFAOYSA-N 1 0 343.387 1.941 20 5 EDBDRO Cc1c(F)cc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000331080818 444385840 /nfs/dbraw/zinc/38/58/40/444385840.db2.gz XRPOWSBYJGXRLJ-LLVKDONJSA-N 1 0 345.396 1.757 20 5 EDBDRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000340579941 444448124 /nfs/dbraw/zinc/44/81/24/444448124.db2.gz JWWDNAODZLGDJG-ZFWWWQNUSA-N 1 0 344.371 1.288 20 5 EDBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000331193077 444438930 /nfs/dbraw/zinc/43/89/30/444438930.db2.gz QPWPVXABMZTPDJ-UONOGXRCSA-N 1 0 327.406 1.545 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000331962803 444493372 /nfs/dbraw/zinc/49/33/72/444493372.db2.gz VFIFBPXGOWMAGA-DOMZBBRYSA-N 1 0 339.417 1.748 20 5 EDBDRO CC(C)(O)C[NH+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)CC1 ZINC000332038971 444497653 /nfs/dbraw/zinc/49/76/53/444497653.db2.gz XKROZNIGVMFKMU-UHFFFAOYSA-N 1 0 346.387 1.605 20 5 EDBDRO C[NH2+][C@@H](C)Cc1noc(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000581011041 322124172 /nfs/dbraw/zinc/12/41/72/322124172.db2.gz ILRCFTIZPWISTJ-JTQLQIEISA-N 1 0 333.348 1.367 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2cccc3c2OCO3)c1 ZINC000581843595 322223629 /nfs/dbraw/zinc/22/36/29/322223629.db2.gz GPGRDMCPRUSJBB-AWEZNQCLSA-N 1 0 346.339 1.853 20 5 EDBDRO COc1ccc(NC(=O)CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000342127313 444522046 /nfs/dbraw/zinc/52/20/46/444522046.db2.gz MAXJQOYYRCSHKM-UBHSHLNASA-N 1 0 348.403 1.601 20 5 EDBDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000342131535 444525105 /nfs/dbraw/zinc/52/51/05/444525105.db2.gz PBEMKMBMBZIWDW-UHFFFAOYSA-N 1 0 345.359 1.527 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000611039357 450416739 /nfs/dbraw/zinc/41/67/39/450416739.db2.gz QUKJLKCEIANVNQ-AWEZNQCLSA-N 1 0 336.392 1.260 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000338677739 444803462 /nfs/dbraw/zinc/80/34/62/444803462.db2.gz RMKQIQCTYVRZMD-AWEZNQCLSA-N 1 0 337.424 1.646 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344238332 444856171 /nfs/dbraw/zinc/85/61/71/444856171.db2.gz IUSXYYFYJNZABG-ZDUSSCGKSA-N 1 0 325.340 1.575 20 5 EDBDRO Cn1nccc1[C@@H]1[C@@H](CNc2ccc([N+](=O)[O-])cn2)CCC[N@@H+]1C ZINC000344443426 444975952 /nfs/dbraw/zinc/97/59/52/444975952.db2.gz CDZKHQXIWGZAJV-WBMJQRKESA-N 1 0 330.392 2.218 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1Cn1ccnn1 ZINC000344402394 444942819 /nfs/dbraw/zinc/94/28/19/444942819.db2.gz XYXWPNLBJVKMDW-KBPBESRZSA-N 1 0 347.375 1.091 20 5 EDBDRO CC(C)OC[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000337341174 445039262 /nfs/dbraw/zinc/03/92/62/445039262.db2.gz QANTVNGSMZGALC-LBPRGKRZSA-N 1 0 345.421 1.276 20 5 EDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337546201 445130400 /nfs/dbraw/zinc/13/04/00/445130400.db2.gz MMNKBHJIQADZBW-UONOGXRCSA-N 1 0 347.419 1.933 20 5 EDBDRO C[C@@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000343141348 445091185 /nfs/dbraw/zinc/09/11/85/445091185.db2.gz XQXAFHDXFJHCHK-STQMWFEESA-N 1 0 336.392 1.136 20 5 EDBDRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000343199392 445129563 /nfs/dbraw/zinc/12/95/63/445129563.db2.gz ADCLCCQATWLCRV-UHFFFAOYSA-N 1 0 330.348 1.107 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCC[NH+]1CCC1 ZINC000337608836 445164977 /nfs/dbraw/zinc/16/49/77/445164977.db2.gz WUTXLGVMDNLOKE-UHFFFAOYSA-N 1 0 330.344 1.344 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C)CC1(C)C ZINC000347158427 445233016 /nfs/dbraw/zinc/23/30/16/445233016.db2.gz OYJZVCHBEDRRME-UHFFFAOYSA-N 1 0 341.433 1.872 20 5 EDBDRO C[NH+](C)C1(CNc2ncnc3cccc([N+](=O)[O-])c32)CCOCC1 ZINC000347460166 445239025 /nfs/dbraw/zinc/23/90/25/445239025.db2.gz HIWZNTGAXAQRMT-UHFFFAOYSA-N 1 0 331.376 2.061 20 5 EDBDRO C[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cnn(C)c1 ZINC000348307178 445250737 /nfs/dbraw/zinc/25/07/37/445250737.db2.gz LOROBLXHEDJUCP-NSHDSACASA-N 1 0 345.359 1.977 20 5 EDBDRO CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000348186243 445309628 /nfs/dbraw/zinc/30/96/28/445309628.db2.gz BNBGBCVEZYODQZ-MRXNPFEDSA-N 1 0 344.415 1.652 20 5 EDBDRO CNc1c(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000348589980 445334246 /nfs/dbraw/zinc/33/42/46/445334246.db2.gz VPVNSFNJWXLIOH-KBPBESRZSA-N 1 0 334.376 1.182 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000351895935 445360835 /nfs/dbraw/zinc/36/08/35/445360835.db2.gz FCVJZUQFAJMXFM-ZDUSSCGKSA-N 1 0 341.433 1.784 20 5 EDBDRO COc1cc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000356987876 445363330 /nfs/dbraw/zinc/36/33/30/445363330.db2.gz SBGSJURWSRXECI-ZDUSSCGKSA-N 1 0 337.376 1.682 20 5 EDBDRO C[C@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C[C@H]1[NH+](C)C ZINC000359770419 445417594 /nfs/dbraw/zinc/41/75/94/445417594.db2.gz ARWRVJJDWMAGKM-XHDPSFHLSA-N 1 0 344.375 1.198 20 5 EDBDRO C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000359810853 445440137 /nfs/dbraw/zinc/44/01/37/445440137.db2.gz PUBKRLPDXPIOPZ-OCCSQVGLSA-N 1 0 343.387 1.721 20 5 EDBDRO COC(=O)COc1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000357125806 445441378 /nfs/dbraw/zinc/44/13/78/445441378.db2.gz WNKSYJICJPEHJH-ZIAGYGMSSA-N 1 0 349.387 1.188 20 5 EDBDRO COc1c(C(=O)Nc2ccn(CC[NH+](C)C)n2)cccc1[N+](=O)[O-] ZINC000355422129 445458829 /nfs/dbraw/zinc/45/88/29/445458829.db2.gz JHRYDDXEPYRNFS-UHFFFAOYSA-N 1 0 333.348 1.614 20 5 EDBDRO O=[N+]([O-])c1cc(F)c(CN2CC[C@H](N3CCOCC3)C2)c(F)c1 ZINC000352063342 445467136 /nfs/dbraw/zinc/46/71/36/445467136.db2.gz NNKXSUSKSDFXPT-NSHDSACASA-N 1 0 327.331 1.780 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000359987137 445515934 /nfs/dbraw/zinc/51/59/34/445515934.db2.gz UHICKYQTIWUSEF-OLZOCXBDSA-N 1 0 339.417 1.570 20 5 EDBDRO C[C@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000356046189 445588913 /nfs/dbraw/zinc/58/89/13/445588913.db2.gz MKXWPVFHMITJBH-ZBEGNZNMSA-N 1 0 346.387 1.603 20 5 EDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000362827598 445569158 /nfs/dbraw/zinc/56/91/58/445569158.db2.gz AHGWMWWDXAJXKV-KGLIPLIRSA-N 1 0 332.404 1.552 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000356210013 445677600 /nfs/dbraw/zinc/67/76/00/445677600.db2.gz SPIGUZNYUDDIRW-UHFFFAOYSA-N 1 0 325.365 1.302 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000360293806 445682307 /nfs/dbraw/zinc/68/23/07/445682307.db2.gz VAFBZNUKDFJVEY-AWEZNQCLSA-N 1 0 348.403 1.120 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000360653043 445719621 /nfs/dbraw/zinc/71/96/21/445719621.db2.gz NTMLZHMLVSKLNV-NWDGAFQWSA-N 1 0 327.406 1.664 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000353646713 445691038 /nfs/dbraw/zinc/69/10/38/445691038.db2.gz FIGXHOYEAKSIBT-CVEARBPZSA-N 1 0 347.415 1.804 20 5 EDBDRO COc1ccc(CSCC(=O)N[C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000349994631 445744736 /nfs/dbraw/zinc/74/47/36/445744736.db2.gz SRGSPMATTXBVGG-JTQLQIEISA-N 1 0 327.406 1.690 20 5 EDBDRO Cc1c(C[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cccc1[N+](=O)[O-] ZINC000363497866 445833267 /nfs/dbraw/zinc/83/32/67/445833267.db2.gz BCMWLXGFKUQFJM-QGZVFWFLSA-N 1 0 346.387 1.713 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCCOCC2)cc1 ZINC000356679133 445933027 /nfs/dbraw/zinc/93/30/27/445933027.db2.gz OSLZBFALDQJXIF-GFCCVEGCSA-N 1 0 343.405 1.032 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000583438041 326073372 /nfs/dbraw/zinc/07/33/72/326073372.db2.gz QROLJJJAZQDUAI-SWLSCSKDSA-N 1 0 339.417 1.482 20 5 EDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000583677945 326115522 /nfs/dbraw/zinc/11/55/22/326115522.db2.gz BTURBTWSIWBDTM-PWSUYJOCSA-N 1 0 335.360 1.247 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000584180705 326215834 /nfs/dbraw/zinc/21/58/34/326215834.db2.gz AOLRVESNGFLDHG-GXTWGEPZSA-N 1 0 348.403 1.710 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351477889 446079565 /nfs/dbraw/zinc/07/95/65/446079565.db2.gz ODZZDBJDNNKKPJ-CYZMBNFOSA-N 1 0 334.376 1.211 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000361935234 446083223 /nfs/dbraw/zinc/08/32/23/446083223.db2.gz BGPUAOHVLFCIQH-IINYFYTJSA-N 1 0 329.360 1.637 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]12 ZINC000351495954 446100247 /nfs/dbraw/zinc/10/02/47/446100247.db2.gz QIKAGCGYEGCNFV-IACUBPJLSA-N 1 0 329.360 1.814 20 5 EDBDRO Cn1cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000359463856 446238704 /nfs/dbraw/zinc/23/87/04/446238704.db2.gz ZZMVKWWIKCMBFX-KBPBESRZSA-N 1 0 327.388 1.647 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365549740 446250385 /nfs/dbraw/zinc/25/03/85/446250385.db2.gz ICMHNLFYYZEBHU-QEJZJMRPSA-N 1 0 333.392 1.124 20 5 EDBDRO Cc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000362201872 446260090 /nfs/dbraw/zinc/26/00/90/446260090.db2.gz QMJJZVFBNFOPQG-OAHLLOKOSA-N 1 0 333.388 1.886 20 5 EDBDRO Cc1ccc(C[NH2+]C[C@]2(N3CCOCC3)CCCOC2)cc1[N+](=O)[O-] ZINC000370554563 446330469 /nfs/dbraw/zinc/33/04/69/446330469.db2.gz COGVEKXVOBWTOX-GOSISDBHSA-N 1 0 349.431 1.874 20 5 EDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCCN1c1cccnn1 ZINC000376229033 446390614 /nfs/dbraw/zinc/39/06/14/446390614.db2.gz RWWIFCGPGOPRDF-ZDUSSCGKSA-N 1 0 331.380 1.182 20 5 EDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418082531 446434243 /nfs/dbraw/zinc/43/42/43/446434243.db2.gz JIMLKCGPJOTFFU-GXSJLCMTSA-N 1 0 332.364 1.398 20 5 EDBDRO Cc1c(CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000418085368 446436557 /nfs/dbraw/zinc/43/65/57/446436557.db2.gz XVGVMMNLUKHIML-HNNXBMFYSA-N 1 0 347.419 1.092 20 5 EDBDRO [NH3+]C[C@@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC000418086364 446437472 /nfs/dbraw/zinc/43/74/72/446437472.db2.gz YPPCJVVHYLKYOR-CQSZACIVSA-N 1 0 346.391 1.788 20 5 EDBDRO C[C@@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000420277384 446447104 /nfs/dbraw/zinc/44/71/04/446447104.db2.gz HXJLVRIPNLWCND-PRHODGIISA-N 1 0 333.435 1.481 20 5 EDBDRO [NH3+]C[C@H]1CCCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420303820 446465712 /nfs/dbraw/zinc/46/57/12/446465712.db2.gz XKRBTYNXYNWQBT-CYBMUJFWSA-N 1 0 327.406 1.182 20 5 EDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370830979 446465957 /nfs/dbraw/zinc/46/59/57/446465957.db2.gz QVZBDLSCVWHAQG-KRWDZBQOSA-N 1 0 346.431 1.835 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000432526090 446480190 /nfs/dbraw/zinc/48/01/90/446480190.db2.gz LSLYYADZEZEWDT-ABAIWWIYSA-N 1 0 343.387 1.723 20 5 EDBDRO [NH3+][C@H](CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000418484716 446561359 /nfs/dbraw/zinc/56/13/59/446561359.db2.gz DIEJFOMMSJNLFR-CYBMUJFWSA-N 1 0 333.392 1.164 20 5 EDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000375025531 446524094 /nfs/dbraw/zinc/52/40/94/446524094.db2.gz ZNIPJQRWHXLTAX-DVOMOZLQSA-N 1 0 332.404 1.948 20 5 EDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420350132 446526992 /nfs/dbraw/zinc/52/69/92/446526992.db2.gz RMBRWKRVXAVJOK-KRWDZBQOSA-N 1 0 348.447 1.862 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423629750 446614386 /nfs/dbraw/zinc/61/43/86/446614386.db2.gz CSRQROGFSVOADB-OAHLLOKOSA-N 1 0 346.431 1.640 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420416417 446590055 /nfs/dbraw/zinc/59/00/55/446590055.db2.gz BBYYQYOYUAAYQJ-AAEUAGOBSA-N 1 0 327.406 1.055 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423596048 446595293 /nfs/dbraw/zinc/59/52/93/446595293.db2.gz RANZMXWYZFTPCV-CHWSQXEVSA-N 1 0 335.360 1.771 20 5 EDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000418566182 446596731 /nfs/dbraw/zinc/59/67/31/446596731.db2.gz AEEKZNAOGOYYOF-NWDGAFQWSA-N 1 0 334.376 1.637 20 5 EDBDRO C[C@]1(C[NH3+])CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000420426567 446600806 /nfs/dbraw/zinc/60/08/06/446600806.db2.gz JTJSCFYSDRIYLQ-CQSZACIVSA-N 1 0 327.406 1.138 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000423619346 446609136 /nfs/dbraw/zinc/60/91/36/446609136.db2.gz VERGBHMWGLSVGZ-QWRGUYRKSA-N 1 0 335.360 1.594 20 5 EDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420459972 446637900 /nfs/dbraw/zinc/63/79/00/446637900.db2.gz QZANEOYEEIIUOQ-KGLIPLIRSA-N 1 0 341.433 1.574 20 5 EDBDRO COc1ccc(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000420473816 446648528 /nfs/dbraw/zinc/64/85/28/446648528.db2.gz VAYQBNOYXNQVRB-WDEREUQCSA-N 1 0 343.405 1.399 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420483811 446651463 /nfs/dbraw/zinc/65/14/63/446651463.db2.gz WWSSLVKVTXRWDC-AAEUAGOBSA-N 1 0 341.433 1.763 20 5 EDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000423712706 446653836 /nfs/dbraw/zinc/65/38/36/446653836.db2.gz DIMRLPABKLPDCX-LBPRGKRZSA-N 1 0 338.433 1.340 20 5 EDBDRO Cn1cc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368131507 446659384 /nfs/dbraw/zinc/65/93/84/446659384.db2.gz ANCFEZWVSILIBN-LBPRGKRZSA-N 1 0 343.387 1.693 20 5 EDBDRO COC(=O)[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000411906625 446715481 /nfs/dbraw/zinc/71/54/81/446715481.db2.gz OFFDYJCYTKJPPF-CYBMUJFWSA-N 1 0 337.376 1.010 20 5 EDBDRO [NH3+][C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000423829678 446719756 /nfs/dbraw/zinc/71/97/56/446719756.db2.gz SHMKYTXBPAAHPA-HNNXBMFYSA-N 1 0 329.360 1.655 20 5 EDBDRO COC(=O)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2OC)CC[N@H+](C)C1 ZINC000411911334 446723997 /nfs/dbraw/zinc/72/39/97/446723997.db2.gz HEKCZUVMNPJWEL-CYBMUJFWSA-N 1 0 337.376 1.140 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C)(C)CN(C)C ZINC000411819280 446680929 /nfs/dbraw/zinc/68/09/29/446680929.db2.gz PYCDPBDNAWJWKF-UHFFFAOYSA-N 1 0 338.408 1.862 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)n1 ZINC000371321387 446773727 /nfs/dbraw/zinc/77/37/27/446773727.db2.gz PZBCHPBQHNCVON-GFCCVEGCSA-N 1 0 347.419 1.665 20 5 EDBDRO Cc1nnc([C@H]2CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000412034474 446794714 /nfs/dbraw/zinc/79/47/14/446794714.db2.gz DPXCNTMZXJKVLE-LBPRGKRZSA-N 1 0 344.375 1.839 20 5 EDBDRO Cc1c(C(=O)N[C@@H](C[NH3+])C(C)(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000423954844 446798352 /nfs/dbraw/zinc/79/83/52/446798352.db2.gz NMSGASQUXBXJHG-ZDUSSCGKSA-N 1 0 346.391 1.587 20 5 EDBDRO NC(=O)[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000375503256 446855159 /nfs/dbraw/zinc/85/51/59/446855159.db2.gz REISYJDTQUHRJD-NXEZZACHSA-N 1 0 347.293 1.569 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)c1F ZINC000412238564 446908127 /nfs/dbraw/zinc/90/81/27/446908127.db2.gz AOOPSHMEDKXTTL-CMPLNLGQSA-N 1 0 339.367 1.884 20 5 EDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000371548402 446927473 /nfs/dbraw/zinc/92/74/73/446927473.db2.gz ZSSAVQZNNWHGHL-MLGOLLRUSA-N 1 0 332.404 1.827 20 5 EDBDRO Cc1c(CC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000368570621 446950294 /nfs/dbraw/zinc/95/02/94/446950294.db2.gz XFSBLSPBXOSEDD-SJORKVTESA-N 1 0 347.415 1.503 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@H]21 ZINC000368591206 446964253 /nfs/dbraw/zinc/96/42/53/446964253.db2.gz MCHPRDOJBZICHJ-IINYFYTJSA-N 1 0 334.332 1.669 20 5 EDBDRO CC(=O)N[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000420987282 446965310 /nfs/dbraw/zinc/96/53/10/446965310.db2.gz NUNQHJMDLSKIKY-ZDUSSCGKSA-N 1 0 334.376 1.442 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000420988898 446967336 /nfs/dbraw/zinc/96/73/36/446967336.db2.gz BDQFZRCFKAZXHQ-KGLIPLIRSA-N 1 0 336.388 1.714 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000419162912 446980335 /nfs/dbraw/zinc/98/03/35/446980335.db2.gz KVVZCGMOSBMLFP-GLQYFDAESA-N 1 0 348.403 1.358 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000419279971 447053034 /nfs/dbraw/zinc/05/30/34/447053034.db2.gz WMWDQAKJQYVRLP-PXAZEXFGSA-N 1 0 348.403 1.278 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000368708550 447056554 /nfs/dbraw/zinc/05/65/54/447056554.db2.gz VSJHGYMWQUSVBL-CQSZACIVSA-N 1 0 336.388 1.837 20 5 EDBDRO CC(C)(C)[C@H](CO)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000444699606 447124771 /nfs/dbraw/zinc/12/47/71/447124771.db2.gz FAWOFAMESRQHSY-AWEZNQCLSA-N 1 0 337.376 1.889 20 5 EDBDRO CN1CCC[C@@]2(CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)C1=O ZINC000372557846 447140946 /nfs/dbraw/zinc/14/09/46/447140946.db2.gz PMCLWMQPHCLYRU-KRWDZBQOSA-N 1 0 333.388 1.918 20 5 EDBDRO NC(=O)C[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000377496064 447166453 /nfs/dbraw/zinc/16/64/53/447166453.db2.gz ZPGNXLCMRLBLGI-LLVKDONJSA-N 1 0 330.344 1.947 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000377531023 447186000 /nfs/dbraw/zinc/18/60/00/447186000.db2.gz SHLPINJKKSXOPT-MRXNPFEDSA-N 1 0 337.351 1.715 20 5 EDBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2Cn2cncn2)c([N+](=O)[O-])c1 ZINC000372637471 447200057 /nfs/dbraw/zinc/20/00/57/447200057.db2.gz BEDNIPWAWRINAM-ZDUSSCGKSA-N 1 0 347.375 1.738 20 5 EDBDRO CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000376024992 447215636 /nfs/dbraw/zinc/21/56/36/447215636.db2.gz HFWZQVKSBLOKOH-INIZCTEOSA-N 1 0 335.404 1.705 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000421704776 447226211 /nfs/dbraw/zinc/22/62/11/447226211.db2.gz PUDGKUXPOHAJEZ-LLVKDONJSA-N 1 0 335.360 1.532 20 5 EDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000421709600 447227551 /nfs/dbraw/zinc/22/75/51/447227551.db2.gz GBEZKDSKZGNVAM-JTQLQIEISA-N 1 0 327.331 1.968 20 5 EDBDRO NC(=O)C[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000377601444 447235813 /nfs/dbraw/zinc/23/58/13/447235813.db2.gz LEQJSGZTEGHJRU-LBPRGKRZSA-N 1 0 344.371 1.990 20 5 EDBDRO COc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000368973250 447237247 /nfs/dbraw/zinc/23/72/47/447237247.db2.gz JEIFWZFEIBMHNP-RBOXIYTFSA-N 1 0 349.387 1.568 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000450790863 447577135 /nfs/dbraw/zinc/57/71/35/447577135.db2.gz HRTVEOWPWVOGOJ-JOYOIKCWSA-N 1 0 325.340 1.955 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000427121770 447547363 /nfs/dbraw/zinc/54/73/63/447547363.db2.gz LKZHCJSPDWCTNA-AWEZNQCLSA-N 1 0 343.387 1.816 20 5 EDBDRO C[C@H]([NH3+])CCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000420151596 447640031 /nfs/dbraw/zinc/64/00/31/447640031.db2.gz BYVZVWNKILHDCO-VIFPVBQESA-N 1 0 337.767 1.943 20 5 EDBDRO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000495820523 447593383 /nfs/dbraw/zinc/59/33/83/447593383.db2.gz YGGMUVBPOQUWTC-ZDUSSCGKSA-N 1 0 339.396 1.780 20 5 EDBDRO C[C@@H]1C[C@@H](C)N(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000422635126 447681281 /nfs/dbraw/zinc/68/12/81/447681281.db2.gz KXFDQHOUEGUTBJ-MGPQQGTHSA-N 1 0 334.420 1.863 20 5 EDBDRO CCOc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000429185294 447734000 /nfs/dbraw/zinc/73/40/00/447734000.db2.gz RXBXYQVSHUIWNT-ZYHUDNBSSA-N 1 0 337.376 1.811 20 5 EDBDRO C[N@@H+]1CCC[C@H](CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000458192106 447742027 /nfs/dbraw/zinc/74/20/27/447742027.db2.gz OQKZGDOLVQXOPB-CYBMUJFWSA-N 1 0 348.403 1.173 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000422771540 447746033 /nfs/dbraw/zinc/74/60/33/447746033.db2.gz VWDYDUDETRGSDG-JSGCOSHPSA-N 1 0 348.403 1.137 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000458223576 447747999 /nfs/dbraw/zinc/74/79/99/447747999.db2.gz RIXVDYZIPHPZJR-NSHDSACASA-N 1 0 335.360 1.785 20 5 EDBDRO O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000496605958 447831615 /nfs/dbraw/zinc/83/16/15/447831615.db2.gz IXEWEZSJBWXDLV-ZDUSSCGKSA-N 1 0 337.380 1.534 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCC2)CC1 ZINC000524180846 447919628 /nfs/dbraw/zinc/91/96/28/447919628.db2.gz ZPOJLQVWHSUSHA-UHFFFAOYSA-N 1 0 348.403 1.853 20 5 EDBDRO CC1(C)[C@@H]2C[N@H+]([C@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21 ZINC000525175114 447973136 /nfs/dbraw/zinc/97/31/36/447973136.db2.gz RMQLDACKHGUWKL-MJBXVCDLSA-N 1 0 329.356 1.815 20 5 EDBDRO CC(C)(C)OC(=O)NCCNC(=[NH2+])NCc1cccc([N+](=O)[O-])c1 ZINC000497055694 448161344 /nfs/dbraw/zinc/16/13/44/448161344.db2.gz IWXSUWBZJIDNHP-UHFFFAOYSA-N 1 0 337.380 1.733 20 5 EDBDRO CNc1nccc(C(=O)NC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000557549035 448186155 /nfs/dbraw/zinc/18/61/55/448186155.db2.gz JOGCHBGUEHRHNC-UHFFFAOYSA-N 1 0 333.392 1.636 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)ccc1[N+](=O)[O-] ZINC000591022840 448237283 /nfs/dbraw/zinc/23/72/83/448237283.db2.gz HKCLLFYRKBVIEO-CQSZACIVSA-N 1 0 348.403 1.831 20 5 EDBDRO O=C(N[C@H]1CCC[NH2+]CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000591360654 448344427 /nfs/dbraw/zinc/34/44/27/448344427.db2.gz RZJYTYBNKYXAIA-LBPRGKRZSA-N 1 0 334.376 1.510 20 5 EDBDRO CCCN1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000516051957 448372595 /nfs/dbraw/zinc/37/25/95/448372595.db2.gz JKNXLUNWSAWTFN-LSDHHAIUSA-N 1 0 337.420 1.799 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[NH2+]C1CC1 ZINC000591449931 448368434 /nfs/dbraw/zinc/36/84/34/448368434.db2.gz FSASUEBIGWKPSI-UHFFFAOYSA-N 1 0 329.378 1.024 20 5 EDBDRO CC(C)[NH+]1CCC(Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000515578762 448329666 /nfs/dbraw/zinc/32/96/66/448329666.db2.gz KGXRDKIXOCQVIJ-UHFFFAOYSA-N 1 0 342.421 1.527 20 5 EDBDRO CCc1n[nH]c(C(=O)N2CCC[N@H+](CC3CCC3)CC2)c1[N+](=O)[O-] ZINC000582771781 448333331 /nfs/dbraw/zinc/33/33/31/448333331.db2.gz PYOITLDOLMINLQ-UHFFFAOYSA-N 1 0 335.408 1.828 20 5 EDBDRO CC[C@H]1CN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000591346340 448334487 /nfs/dbraw/zinc/33/44/87/448334487.db2.gz KSRPOWKUABCAMX-STQMWFEESA-N 1 0 336.392 1.872 20 5 EDBDRO CC[C@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000591351693 448336714 /nfs/dbraw/zinc/33/67/14/448336714.db2.gz WHOFPICVNFKJNU-SWLSCSKDSA-N 1 0 336.392 1.742 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000591735093 448475983 /nfs/dbraw/zinc/47/59/83/448475983.db2.gz RLTNSIAKWCXBBE-GJZGRUSLSA-N 1 0 335.404 1.408 20 5 EDBDRO Cc1noc(CCC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000591736437 448477543 /nfs/dbraw/zinc/47/75/43/448477543.db2.gz LQULSCUBHDJEPT-CYBMUJFWSA-N 1 0 336.348 1.248 20 5 EDBDRO COc1ccc2c(c1)OCC[C@H]2[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591744205 448480233 /nfs/dbraw/zinc/48/02/33/448480233.db2.gz CRPURRFBZJVAQD-IUODEOHRSA-N 1 0 348.359 1.274 20 5 EDBDRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000566480213 448488474 /nfs/dbraw/zinc/48/84/74/448488474.db2.gz JIZFCFWMIWGVGB-UHFFFAOYSA-N 1 0 339.417 1.628 20 5 EDBDRO C[C@@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H]1[NH3+] ZINC000516970726 448513361 /nfs/dbraw/zinc/51/33/61/448513361.db2.gz BEDDRTDEXWIIHO-TZMCWYRMSA-N 1 0 332.404 1.617 20 5 EDBDRO O=[N+]([O-])c1cnc(N2CCN3CCOC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000517710528 448606909 /nfs/dbraw/zinc/60/69/09/448606909.db2.gz RZDSHEWDNWLSHU-JTQLQIEISA-N 1 0 332.282 1.529 20 5 EDBDRO CC(C)[NH2+]CCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000584719360 448608706 /nfs/dbraw/zinc/60/87/06/448608706.db2.gz PTNZKPAKFSXSJX-UHFFFAOYSA-N 1 0 331.376 1.898 20 5 EDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000591983890 448610163 /nfs/dbraw/zinc/61/01/63/448610163.db2.gz BLOFLDXKURWWOR-GFCCVEGCSA-N 1 0 347.419 1.425 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000573334709 448601915 /nfs/dbraw/zinc/60/19/15/448601915.db2.gz YEYSPAUGFHVWRF-CQSZACIVSA-N 1 0 346.387 1.538 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000518139669 448646866 /nfs/dbraw/zinc/64/68/66/448646866.db2.gz QUEDTRZIHFOHLS-QGZVFWFLSA-N 1 0 348.403 1.759 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000540901326 448651606 /nfs/dbraw/zinc/65/16/06/448651606.db2.gz PLYHHMXWOJQNTQ-LSDHHAIUSA-N 1 0 328.372 1.761 20 5 EDBDRO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000573558809 448656843 /nfs/dbraw/zinc/65/68/43/448656843.db2.gz ZMLCVJQUTZAAGF-HOCLYGCPSA-N 1 0 346.387 1.809 20 5 EDBDRO CC[NH2+]CCCNC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000573702388 448695318 /nfs/dbraw/zinc/69/53/18/448695318.db2.gz PWHQMPONTRKNDM-UHFFFAOYSA-N 1 0 348.403 1.202 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000592255497 448764962 /nfs/dbraw/zinc/76/49/62/448764962.db2.gz QJJLZYKXQCMBND-QWHCGFSZSA-N 1 0 335.408 1.663 20 5 EDBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1SC ZINC000592174271 448723852 /nfs/dbraw/zinc/72/38/52/448723852.db2.gz KEPCKRMMFOESTL-BNOWGMLFSA-N 1 0 339.417 1.692 20 5 EDBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592375913 448811707 /nfs/dbraw/zinc/81/17/07/448811707.db2.gz PAZQSMMPXQHJPF-VXGBXAGGSA-N 1 0 340.405 1.143 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000592293105 448776580 /nfs/dbraw/zinc/77/65/80/448776580.db2.gz RSWGJUXLUCOHJQ-NEPJUHHUSA-N 1 0 338.412 1.086 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000592383602 448816435 /nfs/dbraw/zinc/81/64/35/448816435.db2.gz MMBIACOLRUSKST-ZYHUDNBSSA-N 1 0 327.406 1.576 20 5 EDBDRO COc1ccc(OCCN2CCO[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000592475559 448852898 /nfs/dbraw/zinc/85/28/98/448852898.db2.gz NDYSXLBSLIDARP-XHDPSFHLSA-N 1 0 325.365 1.030 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCO1 ZINC000592475159 448852932 /nfs/dbraw/zinc/85/29/32/448852932.db2.gz YLOPTAFKRHRXOY-GWCFXTLKSA-N 1 0 333.348 1.193 20 5 EDBDRO [NH3+]C1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)Cc2ccccc2C1 ZINC000592563271 448903098 /nfs/dbraw/zinc/90/30/98/448903098.db2.gz SFSUSMQGKGVBBQ-UHFFFAOYSA-N 1 0 338.367 1.371 20 5 EDBDRO CN1C(=O)NC2(CC[NH+](CC=Cc3ccccc3[N+](=O)[O-])CC2)C1=O ZINC000589196929 448986702 /nfs/dbraw/zinc/98/67/02/448986702.db2.gz ODXKEDUQGBVKDL-XQRVVYSFSA-N 1 0 344.371 1.624 20 5 EDBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588863585 448943388 /nfs/dbraw/zinc/94/33/88/448943388.db2.gz QLVYUKZZXGDLHN-WDEREUQCSA-N 1 0 339.779 1.529 20 5 EDBDRO C[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)C[NH+](C)C ZINC000599962497 449128823 /nfs/dbraw/zinc/12/88/23/449128823.db2.gz QWGZDZKSBNZFFY-NSHDSACASA-N 1 0 349.366 1.847 20 5 EDBDRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593601254 449101056 /nfs/dbraw/zinc/10/10/56/449101056.db2.gz MYBYVRRBTKSLDM-UHFFFAOYSA-N 1 0 330.410 1.389 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000599889468 449101695 /nfs/dbraw/zinc/10/16/95/449101695.db2.gz ORDFMMPJANWBRN-CQSZACIVSA-N 1 0 334.376 1.298 20 5 EDBDRO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599928241 449111443 /nfs/dbraw/zinc/11/14/43/449111443.db2.gz JWQSBDNAIQGWMF-ZDUSSCGKSA-N 1 0 348.407 1.422 20 5 EDBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595671335 449111961 /nfs/dbraw/zinc/11/19/61/449111961.db2.gz QNIJZNQHQDMIGI-KMFMINBZSA-N 1 0 338.404 1.817 20 5 EDBDRO [NH3+]C1(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCOCC1 ZINC000599929696 449112334 /nfs/dbraw/zinc/11/23/34/449112334.db2.gz AXNHOQPTEBYADZ-UHFFFAOYSA-N 1 0 348.403 1.777 20 5 EDBDRO NS(=O)(=O)c1c(NCCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000603929212 449161882 /nfs/dbraw/zinc/16/18/82/449161882.db2.gz ASAFCMKFXQDKGL-UHFFFAOYSA-N 1 0 342.421 1.530 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590443630 449166121 /nfs/dbraw/zinc/16/61/21/449166121.db2.gz LFJNVTODRMRVBN-MLGOLLRUSA-N 1 0 330.388 1.945 20 5 EDBDRO CC[N@@H+]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000611092403 449166318 /nfs/dbraw/zinc/16/63/18/449166318.db2.gz SKRSECFZUIVKOC-CZUORRHYSA-N 1 0 332.404 1.726 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2C1 ZINC000590446591 449167040 /nfs/dbraw/zinc/16/70/40/449167040.db2.gz UYKMYEHMMUMJSZ-MLGOLLRUSA-N 1 0 341.371 1.557 20 5 EDBDRO CN(CC[NH+]1CCCCC1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000593113019 449141374 /nfs/dbraw/zinc/14/13/74/449141374.db2.gz VMMSFMHTWWJXMC-UHFFFAOYSA-N 1 0 346.431 1.902 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c1 ZINC000595747442 449144996 /nfs/dbraw/zinc/14/49/96/449144996.db2.gz JLJXKDFFJYZBHC-DOTOQJQBSA-N 1 0 330.388 1.889 20 5 EDBDRO COc1cccc(C(=O)NCCN(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597989880 449175132 /nfs/dbraw/zinc/17/51/32/449175132.db2.gz LQYPZKBRVAVUEK-UHFFFAOYSA-N 1 0 338.408 1.217 20 5 EDBDRO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3c([N+](=O)[O-])cnn3C)C2)cc1 ZINC000601881126 449203601 /nfs/dbraw/zinc/20/36/01/449203601.db2.gz RLRLTBQDVUNLED-CQSZACIVSA-N 1 0 343.387 1.641 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000590587980 449204016 /nfs/dbraw/zinc/20/40/16/449204016.db2.gz DMHYAWFXCIVPCB-CMPLNLGQSA-N 1 0 343.405 1.317 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c1C ZINC000590590601 449206484 /nfs/dbraw/zinc/20/64/84/449206484.db2.gz ZRFLXFGRRGJTGF-GXTWGEPZSA-N 1 0 341.433 1.925 20 5 EDBDRO CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@H]1CC[N@H+](CC)C1 ZINC000598041811 449209835 /nfs/dbraw/zinc/20/98/35/449209835.db2.gz NHNGANGGGFHKGY-AWEZNQCLSA-N 1 0 337.424 1.741 20 5 EDBDRO COC1CC[NH+](CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000611196467 449212066 /nfs/dbraw/zinc/21/20/66/449212066.db2.gz GHVMIFQGXOZFMV-UHFFFAOYSA-N 1 0 346.387 1.917 20 5 EDBDRO COCC1([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000590600375 449214065 /nfs/dbraw/zinc/21/40/65/449214065.db2.gz LPFNGLGPQCEZRN-AWEZNQCLSA-N 1 0 340.376 1.120 20 5 EDBDRO Cc1cc(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000590561701 449192177 /nfs/dbraw/zinc/19/21/77/449192177.db2.gz FAKFLIHRORFKPX-UHFFFAOYSA-N 1 0 332.404 1.223 20 5 EDBDRO Cc1c(CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000595927574 449259143 /nfs/dbraw/zinc/25/91/43/449259143.db2.gz CPVFTHDHDQSGBO-LBPRGKRZSA-N 1 0 329.360 1.633 20 5 EDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CCOc1ccccc1[N+](=O)[O-])C2 ZINC000601978427 449259524 /nfs/dbraw/zinc/25/95/24/449259524.db2.gz ZKRHHVYGDCNVHK-CALCHBBNSA-N 1 0 333.388 1.822 20 5 EDBDRO O=C(C[NH2+]C1(CO)CCCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000611463138 449297298 /nfs/dbraw/zinc/29/72/98/449297298.db2.gz ZIFNZIXGLCUZIT-UHFFFAOYSA-N 1 0 333.388 1.769 20 5 EDBDRO C[C@]1(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC[NH2+]C1 ZINC000595990977 449300353 /nfs/dbraw/zinc/30/03/53/449300353.db2.gz FCCOKWHILGNPDK-INIZCTEOSA-N 1 0 348.359 1.151 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)[C@H]2C1 ZINC000611521636 449319281 /nfs/dbraw/zinc/31/92/81/449319281.db2.gz ONLFYBBETAFGPD-DOMZBBRYSA-N 1 0 333.388 1.892 20 5 EDBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000595951833 449277044 /nfs/dbraw/zinc/27/70/44/449277044.db2.gz SZDVFTAQQNOZMB-CYBMUJFWSA-N 1 0 331.376 1.884 20 5 EDBDRO CCOc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)cc1[N+](=O)[O-] ZINC000593916330 449284486 /nfs/dbraw/zinc/28/44/86/449284486.db2.gz HRVXZFLDNCUBOY-IUODEOHRSA-N 1 0 337.376 1.429 20 5 EDBDRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602100467 449345586 /nfs/dbraw/zinc/34/55/86/449345586.db2.gz AZFYDKOVLBSARH-OCCSQVGLSA-N 1 0 333.392 1.487 20 5 EDBDRO Nc1ccc(NCC[NH+]2CCN(c3ccccc3)CC2)nc1[N+](=O)[O-] ZINC000596078545 449351777 /nfs/dbraw/zinc/35/17/77/449351777.db2.gz VHIILHBNHXIIKF-UHFFFAOYSA-N 1 0 342.403 1.806 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594100789 449353876 /nfs/dbraw/zinc/35/38/76/449353876.db2.gz SAOIBVFEQVEVKU-QWHCGFSZSA-N 1 0 334.376 1.494 20 5 EDBDRO CC[NH+]1CCN([C@H]2CCN(c3nc(C)cc(C)c3[N+](=O)[O-])C2)CC1 ZINC000611616477 449360555 /nfs/dbraw/zinc/36/05/55/449360555.db2.gz SHEWFEXRIBSUBT-HNNXBMFYSA-N 1 0 333.436 1.823 20 5 EDBDRO Cc1cc(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])s1 ZINC000596103319 449363121 /nfs/dbraw/zinc/36/31/21/449363121.db2.gz FFZQBAUHFKZZSZ-LLVKDONJSA-N 1 0 326.422 1.964 20 5 EDBDRO CC[NH+]1CCN([C@H]2CCN(c3c(Cl)cncc3[N+](=O)[O-])C2)CC1 ZINC000596123162 449374243 /nfs/dbraw/zinc/37/42/43/449374243.db2.gz KWUGSCPIFJETEW-LBPRGKRZSA-N 1 0 339.827 1.859 20 5 EDBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593542039 449336281 /nfs/dbraw/zinc/33/62/81/449336281.db2.gz DNDOCDUUWFHQDN-TXEJJXNPSA-N 1 0 342.421 1.531 20 5 EDBDRO C[NH+](C)CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(C)(C)C ZINC000593547285 449338901 /nfs/dbraw/zinc/33/89/01/449338901.db2.gz UBGLXSACEHSYRQ-LBPRGKRZSA-N 1 0 344.437 1.635 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000598452083 449402106 /nfs/dbraw/zinc/40/21/06/449402106.db2.gz GUFRQKPHGLWBRZ-MRXNPFEDSA-N 1 0 333.388 1.195 20 5 EDBDRO C[C@@H]1C[C@H](Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000596144468 449383441 /nfs/dbraw/zinc/38/34/41/449383441.db2.gz FDXVLRMKDPYMRQ-MWLCHTKSSA-N 1 0 328.394 1.137 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000594213392 449391586 /nfs/dbraw/zinc/39/15/86/449391586.db2.gz JMEBJKVBBKSIQL-BETUJISGSA-N 1 0 335.408 1.646 20 5 EDBDRO C[NH+]1CCC2(CC1)CN(c1c(Cl)cncc1[N+](=O)[O-])CCO2 ZINC000596290280 449459873 /nfs/dbraw/zinc/45/98/73/449459873.db2.gz ALGUJPKMIJJDBR-UHFFFAOYSA-N 1 0 326.784 1.944 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598590419 449479714 /nfs/dbraw/zinc/47/97/14/449479714.db2.gz YCZMJFWNTUNHKQ-LBPRGKRZSA-N 1 0 336.396 1.116 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC2CC[NH+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000598597008 449482768 /nfs/dbraw/zinc/48/27/68/449482768.db2.gz CAYFSUBBTQPCHT-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000598602863 449487308 /nfs/dbraw/zinc/48/73/08/449487308.db2.gz WJMRVQXTQYBBPX-ZDUSSCGKSA-N 1 0 341.433 1.832 20 5 EDBDRO C[C@@H](C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000594393815 449490789 /nfs/dbraw/zinc/49/07/89/449490789.db2.gz RDTBXJIGXARIFK-KGYLQXTDSA-N 1 0 337.351 1.115 20 5 EDBDRO CC(C)[NH2+]C1(CO)CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000596251671 449439504 /nfs/dbraw/zinc/43/95/04/449439504.db2.gz VJDDNBTZOXFGPX-UHFFFAOYSA-N 1 0 328.800 1.973 20 5 EDBDRO CCc1nn(C)c(N2CCC(CO)([NH2+]C(C)C)CC2)c1[N+](=O)[O-] ZINC000596249887 449440028 /nfs/dbraw/zinc/44/00/28/449440028.db2.gz BXLXXXYWAPHJMT-UHFFFAOYSA-N 1 0 325.413 1.220 20 5 EDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1cn(-c3cccc([N+](=O)[O-])c3)nn1)C2 ZINC000598666927 449528807 /nfs/dbraw/zinc/52/88/07/449528807.db2.gz CFRMVLXWPCRZHZ-BDJLRTHQSA-N 1 0 342.359 1.129 20 5 EDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cn(-c3cccc([N+](=O)[O-])c3)nn1)C2 ZINC000598666929 449529129 /nfs/dbraw/zinc/52/91/29/449529129.db2.gz CFRMVLXWPCRZHZ-MEDUHNTESA-N 1 0 342.359 1.129 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(NCC3CC[NH+](CC4CC4)CC3)nn21 ZINC000596563959 449554154 /nfs/dbraw/zinc/55/41/54/449554154.db2.gz XDCWOQCCSJZLAA-UHFFFAOYSA-N 1 0 330.392 2.171 20 5 EDBDRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C2 ZINC000598726120 449565715 /nfs/dbraw/zinc/56/57/15/449565715.db2.gz RKFVLTJOQZYCFK-TVQRCGJNSA-N 1 0 329.353 1.236 20 5 EDBDRO COc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598721811 449562890 /nfs/dbraw/zinc/56/28/90/449562890.db2.gz WWYUXYIBERQWTR-HZMBPMFUSA-N 1 0 341.389 1.105 20 5 EDBDRO O=C(NC[C@@H]1COCC[NH2+]1)c1ccc([N+](=O)[O-])cc1Br ZINC000602549003 449667964 /nfs/dbraw/zinc/66/79/64/449667964.db2.gz ARQZGPATKRVMBT-MRVPVSSYSA-N 1 0 344.165 1.076 20 5 EDBDRO COC[C@H](CCO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602556002 449671637 /nfs/dbraw/zinc/67/16/37/449671637.db2.gz SLIJTTYYHUKOBQ-ZETCQYMHSA-N 1 0 339.211 1.906 20 5 EDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000602572261 449680653 /nfs/dbraw/zinc/68/06/53/449680653.db2.gz DYIUODNECLCSDQ-GXTWGEPZSA-N 1 0 332.404 1.678 20 5 EDBDRO CN1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1=O ZINC000602573635 449681949 /nfs/dbraw/zinc/68/19/49/449681949.db2.gz SYTPTIQYSGZPQQ-CQSZACIVSA-N 1 0 333.392 1.169 20 5 EDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H](O)[C@H]2CCCO2)c1 ZINC000598990669 449683959 /nfs/dbraw/zinc/68/39/59/449683959.db2.gz PXDWUTUTDJUVHB-WCQYABFASA-N 1 0 332.303 1.826 20 5 EDBDRO CC(C)[C@@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598907415 449642420 /nfs/dbraw/zinc/64/24/20/449642420.db2.gz RNWSOXVIAVIMDE-AWEZNQCLSA-N 1 0 349.391 1.173 20 5 EDBDRO COC(=O)CCN1CCC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000594714581 449642651 /nfs/dbraw/zinc/64/26/51/449642651.db2.gz KAJAOQVHFKVAKI-DOMZBBRYSA-N 1 0 349.387 1.800 20 5 EDBDRO CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C[NH3+])C1 ZINC000598913007 449644427 /nfs/dbraw/zinc/64/44/27/449644427.db2.gz DUIBGWGDSOHACE-SNVBAGLBSA-N 1 0 327.772 1.355 20 5 EDBDRO C[C@@H]1CC2(CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000598913222 449644484 /nfs/dbraw/zinc/64/44/84/449644484.db2.gz FMSKFUGPQBTIBN-GFCCVEGCSA-N 1 0 346.387 1.524 20 5 EDBDRO COc1cc[nH+]c(N2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)c1 ZINC000601114594 449698713 /nfs/dbraw/zinc/69/87/13/449698713.db2.gz SZFIZQSSGWWVFZ-UHFFFAOYSA-N 1 0 333.323 1.859 20 5 EDBDRO C[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C1CC[NH+](C)CC1 ZINC000599042271 449708079 /nfs/dbraw/zinc/70/80/79/449708079.db2.gz APSMRACSRGUJEB-SNVBAGLBSA-N 1 0 331.376 2.386 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000599106597 449739092 /nfs/dbraw/zinc/73/90/92/449739092.db2.gz WPVSTWRRBYISCG-JQWIXIFHSA-N 1 0 327.406 1.576 20 5 EDBDRO CCS(=O)(=O)NC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602655174 449731642 /nfs/dbraw/zinc/73/16/42/449731642.db2.gz FEWXTPPPSAEHNC-UHFFFAOYSA-N 1 0 341.433 1.541 20 5 EDBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602593377 449691891 /nfs/dbraw/zinc/69/18/91/449691891.db2.gz YHSPITWOAQWSPF-BETUJISGSA-N 1 0 327.344 1.357 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594783864 449693327 /nfs/dbraw/zinc/69/33/27/449693327.db2.gz PAYKVPXGNZGRNA-NSHDSACASA-N 1 0 328.394 1.000 20 5 EDBDRO COCC[N@H+](C)CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601110970 449694873 /nfs/dbraw/zinc/69/48/73/449694873.db2.gz MSDXCZDJPFRBGR-UHFFFAOYSA-N 1 0 325.291 1.337 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000597081517 449802713 /nfs/dbraw/zinc/80/27/13/449802713.db2.gz BMRRBJRVAAVDLG-SWLSCSKDSA-N 1 0 340.401 1.526 20 5 EDBDRO CC[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CO1 ZINC000594921232 449807467 /nfs/dbraw/zinc/80/74/67/449807467.db2.gz GTKWQZTZXOFYMS-RYUDHWBXSA-N 1 0 343.405 1.030 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2COC3(CCC3)C2)cc1 ZINC000595032591 449845903 /nfs/dbraw/zinc/84/59/03/449845903.db2.gz NOXRJEJBDNWLCI-GFCCVEGCSA-N 1 0 340.401 1.670 20 5 EDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2C[C@H](O)C2)c1 ZINC000595000331 449837354 /nfs/dbraw/zinc/83/73/54/449837354.db2.gz FDNZZBAXVKKBBP-HOMQSWHASA-N 1 0 348.140 1.812 20 5 EDBDRO O=C(CCN1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000601333118 449841473 /nfs/dbraw/zinc/84/14/73/449841473.db2.gz AKTIZQZQEQAKII-BBRMVZONSA-N 1 0 332.404 1.997 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000602832082 449843176 /nfs/dbraw/zinc/84/31/76/449843176.db2.gz QDZMVWMABSJTND-WDEREUQCSA-N 1 0 336.314 1.592 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](c3cccnc3)C2)c1 ZINC000602852707 449859439 /nfs/dbraw/zinc/85/94/39/449859439.db2.gz GMMWEEVNAFNEOR-GOEBONIOSA-N 1 0 331.376 1.427 20 5 EDBDRO Cc1nn(CCC(=O)N[C@H](C)C2CC[NH+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000608839659 449945219 /nfs/dbraw/zinc/94/52/19/449945219.db2.gz QHEANMHUYIAQDO-LLVKDONJSA-N 1 0 337.424 1.645 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCO[C@H](Cn2ccnn2)C1 ZINC000602907246 449911723 /nfs/dbraw/zinc/91/17/23/449911723.db2.gz LMIWSBQSBFUJEA-HIFRSBDPSA-N 1 0 331.376 1.957 20 5 EDBDRO [NH3+]C1(CNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCCC1 ZINC000595271783 449992110 /nfs/dbraw/zinc/99/21/10/449992110.db2.gz XGYLDNDGTTXGOX-UHFFFAOYSA-N 1 0 348.407 1.093 20 5 EDBDRO COc1ccc(CN2CCC([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000599473965 450002084 /nfs/dbraw/zinc/00/20/84/450002084.db2.gz CTPKAHAHYSMPDF-UHFFFAOYSA-N 1 0 335.404 1.900 20 5 EDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601555641 450070682 /nfs/dbraw/zinc/07/06/82/450070682.db2.gz ZZWNTXFBWRCBPM-ZIAGYGMSSA-N 1 0 333.388 1.964 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000615296574 450051991 /nfs/dbraw/zinc/05/19/91/450051991.db2.gz ACBCYOVXLFFULM-VXGBXAGGSA-N 1 0 327.406 1.664 20 5 EDBDRO COc1cccc(C(=O)NCC[NH+]2CCC(OC)CC2)c1[N+](=O)[O-] ZINC000618227978 450083260 /nfs/dbraw/zinc/08/32/60/450083260.db2.gz KWNKPRNYSXXMAE-UHFFFAOYSA-N 1 0 337.376 1.444 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC000603142724 450090158 /nfs/dbraw/zinc/09/01/58/450090158.db2.gz NRKYGHZZZOKBHV-ZDUSSCGKSA-N 1 0 337.424 1.679 20 5 EDBDRO C[NH2+]CCOCCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000599604281 450097814 /nfs/dbraw/zinc/09/78/14/450097814.db2.gz OSEPEIUVRZCSOJ-UHFFFAOYSA-N 1 0 326.353 1.303 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)nc2c1 ZINC000618279260 450115137 /nfs/dbraw/zinc/11/51/37/450115137.db2.gz FCFGMNMISRSPIQ-HOTGVXAUSA-N 1 0 345.403 1.502 20 5 EDBDRO COc1c(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000597695541 450202713 /nfs/dbraw/zinc/20/27/13/450202713.db2.gz UAIJQTIEVUYYPF-ZFWWWQNUSA-N 1 0 349.387 1.539 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC[N@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000610409251 450210082 /nfs/dbraw/zinc/21/00/82/450210082.db2.gz DVMXVZSOHWEJCZ-GFCCVEGCSA-N 1 0 327.406 1.523 20 5 EDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN(C)S(C)(=O)=O ZINC000615722691 450212580 /nfs/dbraw/zinc/21/25/80/450212580.db2.gz YGUFCRBOWQBYCX-RAXLEYEMSA-N 1 0 341.433 1.869 20 5 EDBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)COc1ccccc1[N+](=O)[O-])C2 ZINC000597712913 450215175 /nfs/dbraw/zinc/21/51/75/450215175.db2.gz AFOYKOHBLCCYJN-KRWDZBQOSA-N 1 0 333.388 1.918 20 5 EDBDRO NC(=O)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000619717527 450317858 /nfs/dbraw/zinc/31/78/58/450317858.db2.gz NJEWHRWCJNRLGT-UHFFFAOYSA-N 1 0 334.376 1.653 20 5 EDBDRO C[NH+](C)C1CC(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000619872723 450349003 /nfs/dbraw/zinc/34/90/03/450349003.db2.gz IEBNUMOPEPAHRH-UHFFFAOYSA-N 1 0 330.344 1.671 20 5 EDBDRO COC(=O)c1cc(C(=O)N(C)CC2([NH+](C)C)CCC2)cc([N+](=O)[O-])c1 ZINC000188012864 533720534 /nfs/dbraw/zinc/72/05/34/533720534.db2.gz LXIGSXLCTRRRQO-UHFFFAOYSA-N 1 0 349.387 1.938 20 5 EDBDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000155220462 534810685 /nfs/dbraw/zinc/81/06/85/534810685.db2.gz KOPWRQYHOBXEHG-UHFFFAOYSA-N 1 0 337.380 1.083 20 5 EDBDRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264103046 536431483 /nfs/dbraw/zinc/43/14/83/536431483.db2.gz AVSXHPPTCIVMKZ-LLVKDONJSA-N 1 0 335.360 1.390 20 5 EDBDRO CC(C)(C)[C@H](CCO)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000183683317 526693077 /nfs/dbraw/zinc/69/30/77/526693077.db2.gz XPEXFLIBGFTHAG-HNNXBMFYSA-N 1 0 335.404 1.871 20 5 EDBDRO CCCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H]1CC[NH2+]C1 ZINC000178912110 527795014 /nfs/dbraw/zinc/79/50/14/527795014.db2.gz LWQAMWBEXVBIAL-INIZCTEOSA-N 1 0 343.387 1.995 20 5 EDBDRO COc1cc(C(=O)N[C@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000346203705 536514516 /nfs/dbraw/zinc/51/45/16/536514516.db2.gz UTXKBNGINDAKOB-MRVPVSSYSA-N 1 0 347.318 1.885 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000173988323 528290152 /nfs/dbraw/zinc/29/01/52/528290152.db2.gz GETQFEJMVSEBKB-ZDUSSCGKSA-N 1 0 327.406 1.700 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000183928572 528534082 /nfs/dbraw/zinc/53/40/82/528534082.db2.gz ZTNYHFJJPGRRAU-UHFFFAOYSA-N 1 0 334.376 1.049 20 5 EDBDRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000183360216 528592777 /nfs/dbraw/zinc/59/27/77/528592777.db2.gz AAQGBWIQLCQFJH-GFCCVEGCSA-N 1 0 337.376 1.503 20 5 EDBDRO CC(C)C[NH+]1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000268344788 535106310 /nfs/dbraw/zinc/10/63/10/535106310.db2.gz CUHDAAUOWGRYQG-UHFFFAOYSA-N 1 0 342.421 1.020 20 5 EDBDRO CC[NH2+]CC1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000236848745 535457079 /nfs/dbraw/zinc/45/70/79/535457079.db2.gz AYKWCPVPDZESFK-UHFFFAOYSA-N 1 0 331.376 1.933 20 5 EDBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000347876856 535550929 /nfs/dbraw/zinc/55/09/29/535550929.db2.gz PBSGAIRDMXPQEJ-ZDUSSCGKSA-N 1 0 348.407 1.575 20 5 EDBDRO C[NH+](C)C[C@H]1CCCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000332172961 535958575 /nfs/dbraw/zinc/95/85/75/535958575.db2.gz QHXVNFLYEURWDU-CYBMUJFWSA-N 1 0 349.387 1.461 20 5 EDBDRO C[NH2+][C@@H]1CCCN(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000261652232 536362034 /nfs/dbraw/zinc/36/20/34/536362034.db2.gz BCJABLKGGIYFMS-CYBMUJFWSA-N 1 0 337.376 1.330 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000742902070 579464944 /nfs/dbraw/zinc/46/49/44/579464944.db2.gz LLQASOLWZYAABU-HNNXBMFYSA-N 1 0 345.403 1.887 20 5 EDBDRO CC(C)(C)S(=O)(=O)CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000743252203 579474128 /nfs/dbraw/zinc/47/41/28/579474128.db2.gz QAGRVSATVGOQBB-ZDUSSCGKSA-N 1 0 330.406 1.431 20 5 EDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[NH+]1CCCCC1 ZINC000727372422 578527546 /nfs/dbraw/zinc/52/75/46/578527546.db2.gz GDRVHEVJXWCDSK-LBPRGKRZSA-N 1 0 349.387 1.970 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000733159862 578746025 /nfs/dbraw/zinc/74/60/25/578746025.db2.gz YJCNBWGWALVKRF-KRWDZBQOSA-N 1 0 347.415 1.897 20 5 EDBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)C1CCCCC1 ZINC000736800289 579021658 /nfs/dbraw/zinc/02/16/58/579021658.db2.gz IXASPWQBYBBCPB-UHFFFAOYSA-N 1 0 346.395 1.846 20 5 EDBDRO CN(CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O ZINC000748815439 579701275 /nfs/dbraw/zinc/70/12/75/579701275.db2.gz IPPSLOMOPVXQER-UHFFFAOYSA-N 1 0 335.813 1.619 20 5 EDBDRO C[C@@H]1CN(CCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000749664496 579734063 /nfs/dbraw/zinc/73/40/63/579734063.db2.gz RKMXIMVCLTVTTF-JKIFEVAISA-N 1 0 337.420 1.717 20 5 EDBDRO CC[C@H](CO)[NH+]1CCN(C(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000752619471 579862470 /nfs/dbraw/zinc/86/24/70/579862470.db2.gz RROYKRCIGFHAGG-WCRPCQDQSA-N 1 0 347.415 1.913 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[N@@H+]1C1CC1 ZINC000753707479 579885373 /nfs/dbraw/zinc/88/53/73/579885373.db2.gz PXPRIYASPXLPFU-WCQYABFASA-N 1 0 343.387 1.686 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(Cn3cncn3)CC2)cc1 ZINC000778225646 580459167 /nfs/dbraw/zinc/45/91/67/580459167.db2.gz NWCRESOOLOPLHU-MRXNPFEDSA-N 1 0 331.376 1.632 20 5 EDBDRO COC(=O)C[C@]1([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCOC1 ZINC000770692039 580267993 /nfs/dbraw/zinc/26/79/93/580267993.db2.gz MITZUIWNMUUFHQ-GOEBONIOSA-N 1 0 338.360 1.330 20 5 EDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000771399872 580285861 /nfs/dbraw/zinc/28/58/61/580285861.db2.gz XGOIHLKKGOZKCL-GHMZBOCLSA-N 1 0 325.340 1.664 20 5 EDBDRO Cn1cc([C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000774202573 580356631 /nfs/dbraw/zinc/35/66/31/580356631.db2.gz ATCDMXGUDXXIPU-HZSPNIEDSA-N 1 0 334.380 1.332 20 5 EDBDRO CCn1nc2c(cc1=O)C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776278903 580413829 /nfs/dbraw/zinc/41/38/29/580413829.db2.gz VCQJVCAKHKTXRH-MRXNPFEDSA-N 1 0 344.371 1.263 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1 ZINC000776590942 580422915 /nfs/dbraw/zinc/42/29/15/580422915.db2.gz MKMIDBXJIAPHGK-CZUORRHYSA-N 1 0 331.376 1.632 20 5 EDBDRO Cc1nn(CN2CCC(CC[NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000779866091 580500244 /nfs/dbraw/zinc/50/02/44/580500244.db2.gz SJUKSNXENFJSIY-UHFFFAOYSA-N 1 0 337.424 1.492 20 5 EDBDRO C[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000780719022 580532203 /nfs/dbraw/zinc/53/22/03/580532203.db2.gz KHNRBBSLFGBPTB-ZDUSSCGKSA-N 1 0 341.433 1.889 20 5 EDBDRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000780866560 580535818 /nfs/dbraw/zinc/53/58/18/580535818.db2.gz RMDUZVBOCLXJCP-ZDUSSCGKSA-N 1 0 341.433 1.541 20 5 EDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000781945066 580560928 /nfs/dbraw/zinc/56/09/28/580560928.db2.gz YCPCVMQYHVMUDG-CJNGLKHVSA-N 1 0 337.420 1.405 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)c1 ZINC000800398694 581052266 /nfs/dbraw/zinc/05/22/66/581052266.db2.gz RJWLAQAPMYHYRJ-DZGCQCFKSA-N 1 0 336.779 1.563 20 5 EDBDRO CN1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[N@H+](C)CC1 ZINC000888998927 590753614 /nfs/dbraw/zinc/75/36/14/590753614.db2.gz RBVOPTUXCLVEPU-IAGOWNOFSA-N 1 0 346.431 1.404 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000866871505 590780809 /nfs/dbraw/zinc/78/08/09/590780809.db2.gz OCUOJMPMUANKDR-QWRGUYRKSA-N 1 0 345.396 1.803 20 5 EDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000893752002 591075022 /nfs/dbraw/zinc/07/50/22/591075022.db2.gz IJZLSNBTLMHQOU-CYBMUJFWSA-N 1 0 338.412 1.165 20 5 EDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000891618345 591151646 /nfs/dbraw/zinc/15/16/46/591151646.db2.gz OWSMGDADNHWKGT-ZDUSSCGKSA-N 1 0 335.408 1.790 20 5 EDBDRO COc1c(O)ccc(CN2CC[N@H+](C[C@H](C)O)C[C@H]2C)c1[N+](=O)[O-] ZINC000894158942 591211540 /nfs/dbraw/zinc/21/15/40/591211540.db2.gz RCCISRCJBLDDBM-NEPJUHHUSA-N 1 0 339.392 1.196 20 5 EDBDRO CN(C)S(=O)(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000895811035 591275094 /nfs/dbraw/zinc/27/50/94/591275094.db2.gz BSPYLKCXNHSRNT-UHFFFAOYSA-N 1 0 347.824 1.762 20 5 EDBDRO CCO[C@@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])C[NH+](C)C ZINC000896116991 591349798 /nfs/dbraw/zinc/34/97/98/591349798.db2.gz JGOWWZLHSJYVKX-LBPRGKRZSA-N 1 0 348.403 1.825 20 5 EDBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC([NH+]2CCCC2)C1 ZINC000898613624 591439502 /nfs/dbraw/zinc/43/95/02/591439502.db2.gz PVRLIDJBOHVVOV-UHFFFAOYSA-N 1 0 341.371 1.701 20 5 EDBDRO C[NH+](C)C1(C)CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000894848989 591443758 /nfs/dbraw/zinc/44/37/58/591443758.db2.gz OPZSNFAVBZWKNC-UHFFFAOYSA-N 1 0 341.433 1.919 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(O)(C[NH+](C)C)CC2)c1 ZINC000894956457 591491736 /nfs/dbraw/zinc/49/17/36/591491736.db2.gz OYOLGAUAMVVLCE-UHFFFAOYSA-N 1 0 337.376 1.274 20 5 EDBDRO C[NH+](C)CC1(O)CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000894953026 591498830 /nfs/dbraw/zinc/49/88/30/591498830.db2.gz DCCPRRCIMRJZPZ-UHFFFAOYSA-N 1 0 348.403 1.372 20 5 EDBDRO C[C@H](Nc1ncnc2cccc([N+](=O)[O-])c21)[C@H]1C[N@H+](C)CCN1C ZINC000895245821 591678715 /nfs/dbraw/zinc/67/87/15/591678715.db2.gz IDRJFCNDFFGOEZ-SMDDNHRTSA-N 1 0 330.392 1.584 20 5 EDBDRO C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@@H]1C[N@H+](C)CCN1C ZINC000895246540 591679484 /nfs/dbraw/zinc/67/94/84/591679484.db2.gz ACFFHRXZTNNRIP-ZBEGNZNMSA-N 1 0 347.419 1.526 20 5 EDBDRO COC(=O)Cc1ccc(N2CCC23CC[NH+](C)CC3)c([N+](=O)[O-])c1 ZINC000897133235 591747371 /nfs/dbraw/zinc/74/73/71/591747371.db2.gz HZFDJACDLBZWRP-UHFFFAOYSA-N 1 0 333.388 1.985 20 5 EDBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000897220209 591775192 /nfs/dbraw/zinc/77/51/92/591775192.db2.gz UUFWYATYCFTCRP-DLBZAZTESA-N 1 0 333.388 1.833 20 5 EDBDRO COC[C@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000900451670 592021166 /nfs/dbraw/zinc/02/11/66/592021166.db2.gz VMQUTBVYJZHGHS-CQSZACIVSA-N 1 0 348.403 1.255 20 5 EDBDRO O=[N+]([O-])c1ccc2cnn(CN3CC[C@@H]4[C@@H]3CCC[N@H+]4CCO)c2c1 ZINC000902643840 592034883 /nfs/dbraw/zinc/03/48/83/592034883.db2.gz MOSOKGLZRZJHJR-JKSUJKDBSA-N 1 0 345.403 1.433 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000902707864 592048453 /nfs/dbraw/zinc/04/84/53/592048453.db2.gz MCYSPJKUPGYWDH-HNNXBMFYSA-N 1 0 346.387 1.394 20 5 EDBDRO C[NH+](C)CCCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000900690344 592095943 /nfs/dbraw/zinc/09/59/43/592095943.db2.gz QNFMVIXMPUOXGI-UHFFFAOYSA-N 1 0 337.376 1.828 20 5 EDBDRO O=C(C1C[NH+](C2CCOCC2)C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000900770724 592119519 /nfs/dbraw/zinc/11/95/19/592119519.db2.gz GBZLRMKWVRQCIM-UHFFFAOYSA-N 1 0 331.372 1.595 20 5 EDBDRO CN1CCOC[C@]1(CO)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000903281672 592151593 /nfs/dbraw/zinc/15/15/93/592151593.db2.gz QKKSJBFLOPYVEP-SJLPKXTDSA-N 1 0 349.431 1.199 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)c([N+](=O)[O-])s1 ZINC000903590986 592235281 /nfs/dbraw/zinc/23/52/81/592235281.db2.gz AKEYIGXUUKROLU-LBPRGKRZSA-N 1 0 331.419 1.481 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c1C ZINC000908199974 592378197 /nfs/dbraw/zinc/37/81/97/592378197.db2.gz HEIHBWGDIJROGK-KBPBESRZSA-N 1 0 333.388 1.493 20 5 EDBDRO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)O2)CO1 ZINC000905484138 592539420 /nfs/dbraw/zinc/53/94/20/592539420.db2.gz GNVWKVYDBFEQKV-ISWURRPUSA-N 1 0 336.388 1.944 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000905472390 592545185 /nfs/dbraw/zinc/54/51/85/592545185.db2.gz GTLBKBHQDACKOE-UONOGXRCSA-N 1 0 336.388 1.883 20 5 EDBDRO C[C@]1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCO1 ZINC000905589975 592584260 /nfs/dbraw/zinc/58/42/60/592584260.db2.gz PVWIMCXRCHQRLC-OAHLLOKOSA-N 1 0 342.417 1.917 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC000905716083 592622287 /nfs/dbraw/zinc/62/22/87/592622287.db2.gz YXIKGMKQTDZDSP-DYVFJYSZSA-N 1 0 332.404 1.962 20 5 EDBDRO C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000911736552 592993378 /nfs/dbraw/zinc/99/33/78/592993378.db2.gz LOVLTIBDRXKKFP-IAQYHMDHSA-N 1 0 332.360 1.298 20 5 EDBDRO C[C@@H](CCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)[NH+](C)C ZINC000912387262 593090047 /nfs/dbraw/zinc/09/00/47/593090047.db2.gz NLPJONCAGHZRFC-NSHDSACASA-N 1 0 337.376 1.826 20 5 EDBDRO C/C(=C\C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000793872953 593179871 /nfs/dbraw/zinc/17/98/71/593179871.db2.gz PGEDHZWBZJWDJX-XGWPRKDGSA-N 1 0 347.415 1.912 20 5 EDBDRO CN(C)CC(C)(C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000839093299 593260930 /nfs/dbraw/zinc/26/09/30/593260930.db2.gz AFXVAOBQWMDNDW-UHFFFAOYSA-N 1 0 326.372 1.992 20 5 EDBDRO CC(C)S(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000808726095 593283047 /nfs/dbraw/zinc/28/30/47/593283047.db2.gz PIVQKVOCWARPIH-CHWSQXEVSA-N 1 0 344.437 1.688 20 5 EDBDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000840173402 593337276 /nfs/dbraw/zinc/33/72/76/593337276.db2.gz CENDOVPTCCVPME-CYBMUJFWSA-N 1 0 344.375 1.221 20 5 EDBDRO COC(=O)CC(C)(C)[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000761200198 593412585 /nfs/dbraw/zinc/41/25/85/593412585.db2.gz HXKOQGAPLNAINY-UHFFFAOYSA-N 1 0 339.348 1.473 20 5 EDBDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592376 593643584 /nfs/dbraw/zinc/64/35/84/593643584.db2.gz HGJWEQFDXCULAD-GZMMTYOYSA-N 1 0 346.309 1.991 20 5 EDBDRO Cc1c(C(=O)N2CC[NH2+]C(C)(C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000817995104 593654725 /nfs/dbraw/zinc/65/47/25/593654725.db2.gz WKTBPDWAMUJXQC-UHFFFAOYSA-N 1 0 336.348 1.944 20 5 EDBDRO C[C@H]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000818009567 593656942 /nfs/dbraw/zinc/65/69/42/593656942.db2.gz WBLCWOHGKHKKEC-WCQYABFASA-N 1 0 331.376 1.388 20 5 EDBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCO1 ZINC000818012317 593657205 /nfs/dbraw/zinc/65/72/05/593657205.db2.gz UMTXKWDKRAOPDZ-SECBINFHSA-N 1 0 331.731 1.034 20 5 EDBDRO CC1(C)OC[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])O1 ZINC000819155674 593741900 /nfs/dbraw/zinc/74/19/00/593741900.db2.gz PBFHURCUIFOVEG-RYUDHWBXSA-N 1 0 326.349 1.076 20 5 EDBDRO CC1(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)OCCO1 ZINC000819226993 593745651 /nfs/dbraw/zinc/74/56/51/593745651.db2.gz DHRDMLVLTZBCTN-CYBMUJFWSA-N 1 0 326.349 1.077 20 5 EDBDRO COc1ccc([C@@H]2C[C@H]2[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000819277929 593748188 /nfs/dbraw/zinc/74/81/88/593748188.db2.gz PYFTYGYCYXRIKW-VNQPRFMTSA-N 1 0 332.360 1.307 20 5 EDBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)C(C)(C)C[NH+](C)C ZINC000820461311 593820103 /nfs/dbraw/zinc/82/01/03/593820103.db2.gz HCTVFBBQXNCXOI-SECBINFHSA-N 1 0 334.384 1.558 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820750314 593879395 /nfs/dbraw/zinc/87/93/95/593879395.db2.gz ATOLSXOJALAEEQ-OTYXRUKQSA-N 1 0 329.364 1.670 20 5 EDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)C[C@H]21 ZINC000821754089 593930377 /nfs/dbraw/zinc/93/03/77/593930377.db2.gz TXYXCESIYGRBRN-JDICNCQASA-N 1 0 342.758 1.602 20 5 EDBDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H](C)O1 ZINC000822764058 594097247 /nfs/dbraw/zinc/09/72/47/594097247.db2.gz ZSIYYXGFYBCGMG-KFWWJZLASA-N 1 0 341.452 1.922 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc([C@@]2(c3ccccc3)CC[NH2+]C2)n1 ZINC000823087704 594151085 /nfs/dbraw/zinc/15/10/85/594151085.db2.gz FGIUDOHBUXTTGZ-INIZCTEOSA-N 1 0 340.343 1.658 20 5 EDBDRO C[C@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000825466930 594189701 /nfs/dbraw/zinc/18/97/01/594189701.db2.gz KGPMCCFFIRMPRE-CZUORRHYSA-N 1 0 335.404 1.865 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000823635093 594223438 /nfs/dbraw/zinc/22/34/38/594223438.db2.gz RIPHPEMKSSCFFN-HNNXBMFYSA-N 1 0 340.343 1.598 20 5 EDBDRO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000825763673 594240552 /nfs/dbraw/zinc/24/05/52/594240552.db2.gz ATQFHOZWYWIWLO-CVEARBPZSA-N 1 0 333.388 1.715 20 5 EDBDRO C[N@@H+]1CCCC12CCN(c1nccc(-c3nn[nH]n3)c1[N+](=O)[O-])CC2 ZINC000826034910 594312079 /nfs/dbraw/zinc/31/20/79/594312079.db2.gz YWMVGRSBWKEBBJ-UHFFFAOYSA-N 1 0 344.379 1.235 20 5 EDBDRO Cc1cc(Cl)c(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000828505372 594438942 /nfs/dbraw/zinc/43/89/42/594438942.db2.gz OXBRRZSRLBTXEG-CQSZACIVSA-N 1 0 327.768 1.353 20 5 EDBDRO CC(C)(CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000831024650 594540542 /nfs/dbraw/zinc/54/05/42/594540542.db2.gz OLLZKWMYVFONGH-OAHLLOKOSA-N 1 0 335.404 1.866 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000826673985 594552129 /nfs/dbraw/zinc/55/21/29/594552129.db2.gz PGNWWVQZRJKVTC-CQSZACIVSA-N 1 0 335.408 1.705 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000827170894 594650343 /nfs/dbraw/zinc/65/03/43/594650343.db2.gz YFWMVSKXGHRFQE-HZSPNIEDSA-N 1 0 327.425 1.532 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000827340348 594662817 /nfs/dbraw/zinc/66/28/17/594662817.db2.gz ZGMHXGPZBMDIOZ-UONOGXRCSA-N 1 0 333.388 1.916 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000831637733 594689142 /nfs/dbraw/zinc/68/91/42/594689142.db2.gz ZSNJUJPKVSIJAT-LBPRGKRZSA-N 1 0 338.795 1.368 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000831678358 594691871 /nfs/dbraw/zinc/69/18/71/594691871.db2.gz ZUDGGSDQBMVXBF-QGZVFWFLSA-N 1 0 343.387 1.547 20 5 EDBDRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000841233630 594873784 /nfs/dbraw/zinc/87/37/84/594873784.db2.gz ANGFLKUIOFIOFY-CQSZACIVSA-N 1 0 340.767 1.384 20 5 EDBDRO CC1(C)CN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000841267190 594878534 /nfs/dbraw/zinc/87/85/34/594878534.db2.gz KAVPBFDQBFKZSV-UHFFFAOYSA-N 1 0 340.767 1.397 20 5 EDBDRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841290505 594881779 /nfs/dbraw/zinc/88/17/79/594881779.db2.gz OZNGHGNXKMZZOJ-UHFFFAOYSA-N 1 0 340.767 1.445 20 5 EDBDRO C[N@H+](CCCCNS(=O)(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000841526897 594915554 /nfs/dbraw/zinc/91/55/54/594915554.db2.gz BWUHVCDHOCKCPF-UHFFFAOYSA-N 1 0 333.435 1.809 20 5 EDBDRO CN1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C[NH3+])C1 ZINC000841856569 594966489 /nfs/dbraw/zinc/96/64/89/594966489.db2.gz SLLMBMSOMLABPN-LBPRGKRZSA-N 1 0 341.799 1.033 20 5 EDBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000845669212 595041021 /nfs/dbraw/zinc/04/10/21/595041021.db2.gz SQXPULPJXMIZSZ-LBPRGKRZSA-N 1 0 345.359 1.817 20 5 EDBDRO O=[N+]([O-])c1cc(-c2noc(C[NH2+]CC3CC3)n2)ccc1-n1cncn1 ZINC000843238114 595046384 /nfs/dbraw/zinc/04/63/84/595046384.db2.gz ZKDGHCHZDVYOLJ-UHFFFAOYSA-N 1 0 341.331 1.725 20 5 EDBDRO [NH3+]C1(Cc2nc(-c3ccc(-n4cncn4)c([N+](=O)[O-])c3)no2)CCC1 ZINC000843237491 595046409 /nfs/dbraw/zinc/04/64/09/595046409.db2.gz PVNVXLNUFQHOIR-UHFFFAOYSA-N 1 0 341.331 1.649 20 5 EDBDRO C[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000843351992 595083625 /nfs/dbraw/zinc/08/36/25/595083625.db2.gz OGBNIRIRRZZJLW-UWVGGRQHSA-N 1 0 326.784 1.869 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000834315202 595091935 /nfs/dbraw/zinc/09/19/35/595091935.db2.gz WYRDLKKIEZFDCQ-YGRLFVJLSA-N 1 0 334.332 1.588 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000842481706 595117655 /nfs/dbraw/zinc/11/76/55/595117655.db2.gz NKOFAEASYPQVFD-JTQLQIEISA-N 1 0 347.824 1.977 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000842484386 595119540 /nfs/dbraw/zinc/11/95/40/595119540.db2.gz HJBCAEHVBKUNAY-OAHLLOKOSA-N 1 0 339.417 1.728 20 5 EDBDRO C[NH+](C)C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000846132016 595153314 /nfs/dbraw/zinc/15/33/14/595153314.db2.gz WJKJNOPDCLVOGP-MRVWCRGKSA-N 1 0 325.796 1.767 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000842720014 595180170 /nfs/dbraw/zinc/18/01/70/595180170.db2.gz QEDMOYJOHHKBDD-UWVGGRQHSA-N 1 0 347.824 1.914 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000842792778 595201119 /nfs/dbraw/zinc/20/11/19/595201119.db2.gz MPMKFSDGUKUTDN-MWLCHTKSSA-N 1 0 347.824 1.996 20 5 EDBDRO [NH3+]CCCCCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000843053101 595275572 /nfs/dbraw/zinc/27/55/72/595275572.db2.gz WYTBVLKYPJYRAZ-UHFFFAOYSA-N 1 0 342.783 1.822 20 5 EDBDRO C[NH+]1CCC(ONC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000846648416 595292746 /nfs/dbraw/zinc/29/27/46/595292746.db2.gz XSJWHOYETJKBRW-UHFFFAOYSA-N 1 0 345.302 1.952 20 5 EDBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000867349349 595295890 /nfs/dbraw/zinc/29/58/90/595295890.db2.gz QVFBKKFZEGQEOO-UHFFFAOYSA-N 1 0 333.435 1.761 20 5 EDBDRO [NH3+]CC12CCC(CC1)CN2C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000846681516 595300497 /nfs/dbraw/zinc/30/04/97/595300497.db2.gz SSJMPINFSGHKNN-UHFFFAOYSA-N 1 0 337.351 1.843 20 5 EDBDRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846931117 595338765 /nfs/dbraw/zinc/33/87/65/595338765.db2.gz XOXRDEFNRSLLOY-JKSUJKDBSA-N 1 0 347.415 1.865 20 5 EDBDRO CC1(C)C(=O)N[C@H]1C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000846931094 595338852 /nfs/dbraw/zinc/33/88/52/595338852.db2.gz XLZSOOREPVEKAM-CVEARBPZSA-N 1 0 347.415 1.865 20 5 EDBDRO C[N@H+](C[C@@H]1CCOC1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848479761 595390413 /nfs/dbraw/zinc/39/04/13/595390413.db2.gz BDHFKESULBHPCZ-BBRMVZONSA-N 1 0 333.388 1.837 20 5 EDBDRO C[N@@H+]1CC[C@H](CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848580736 595408491 /nfs/dbraw/zinc/40/84/91/595408491.db2.gz BSUBNJICLLUXRU-SNVBAGLBSA-N 1 0 329.303 1.634 20 5 EDBDRO C[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848676341 595426502 /nfs/dbraw/zinc/42/65/02/595426502.db2.gz LDGFESNNBMTHJS-ZJOBFFGXSA-N 1 0 337.420 1.716 20 5 EDBDRO COC(=O)N(C)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000850549849 595533848 /nfs/dbraw/zinc/53/38/48/595533848.db2.gz IOSIXQWCUSXLCM-UHFFFAOYSA-N 1 0 336.392 1.851 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)cc([N+](=O)[O-])c1F ZINC000850592017 595542373 /nfs/dbraw/zinc/54/23/73/595542373.db2.gz FAGYWMZVNKDJID-UHFFFAOYSA-N 1 0 329.353 1.073 20 5 EDBDRO Cc1c(C[NH3+])c(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)nn1C ZINC000852900358 595604894 /nfs/dbraw/zinc/60/48/94/595604894.db2.gz WIXNIWIUTWDDGR-UHFFFAOYSA-N 1 0 343.347 1.084 20 5 EDBDRO CCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CC[N@H+](C)C1 ZINC000855363743 595686224 /nfs/dbraw/zinc/68/62/24/595686224.db2.gz WHBWMSOXSILTAC-NSHDSACASA-N 1 0 325.340 1.665 20 5 EDBDRO C[C@H](CCNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+](C)C ZINC000855415855 595705325 /nfs/dbraw/zinc/70/53/25/595705325.db2.gz QWMHONHFKHBNDT-LLVKDONJSA-N 1 0 338.364 1.892 20 5 EDBDRO CN(CC1C[NH+](C)C1)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000853553840 595798758 /nfs/dbraw/zinc/79/87/58/595798758.db2.gz TWAIEHJHMMHRSE-UHFFFAOYSA-N 1 0 343.387 1.269 20 5 EDBDRO C[C@@H]1CCC[N@@H+]1CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000856733104 596064771 /nfs/dbraw/zinc/06/47/71/596064771.db2.gz OJWLHDJWSFNPPJ-GFCCVEGCSA-N 1 0 336.396 1.118 20 5 EDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)Cn1ncc3ccc([N+](=O)[O-])cc31)C2 ZINC000857009350 596138300 /nfs/dbraw/zinc/13/83/00/596138300.db2.gz ZSIHTRFCIWESSK-MLGOLLRUSA-N 1 0 329.360 1.284 20 5 EDBDRO O=C(C[NH+](C1CC1)C1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000859624429 596150384 /nfs/dbraw/zinc/15/03/84/596150384.db2.gz RFISAGUOFNUDRP-UHFFFAOYSA-N 1 0 344.415 1.870 20 5 EDBDRO O=C1CCCN1C[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852680022 596226395 /nfs/dbraw/zinc/22/63/95/596226395.db2.gz JLLKRIJYWBVNFL-BBRMVZONSA-N 1 0 333.388 1.573 20 5 EDBDRO Cc1nn(CCC(=O)O[C@@H](C[NH+](C)C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000870571238 596284660 /nfs/dbraw/zinc/28/46/60/596284660.db2.gz XTYQMCCDEIBSAX-ZDUSSCGKSA-N 1 0 326.397 1.928 20 5 EDBDRO O=C(CN1CCC[C@H]2[NH2+]CC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000866724658 596311256 /nfs/dbraw/zinc/31/12/56/596311256.db2.gz NAPMPYBEHOMYTA-CABCVRRESA-N 1 0 330.388 1.310 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000866792088 596348985 /nfs/dbraw/zinc/34/89/85/596348985.db2.gz SWBBFSZYPPCBJY-AOOOYVTPSA-N 1 0 345.808 1.682 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000866831353 596370635 /nfs/dbraw/zinc/37/06/35/596370635.db2.gz JRTOOBOXJNAPAQ-QWHCGFSZSA-N 1 0 325.390 1.418 20 5 EDBDRO C[C@@]([NH3+])(C(=O)NC[C@@H]1CSCCS1)c1cccc([N+](=O)[O-])c1 ZINC000870902605 596396401 /nfs/dbraw/zinc/39/64/01/596396401.db2.gz VOFVCJJBEGYXJZ-OCCSQVGLSA-N 1 0 341.458 1.734 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000867807694 596560363 /nfs/dbraw/zinc/56/03/63/596560363.db2.gz KCSVPRCFJROZOD-BXUZGUMPSA-N 1 0 325.390 1.310 20 5 EDBDRO C[NH+](C)C1(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCC1 ZINC000119450525 596583891 /nfs/dbraw/zinc/58/38/91/596583891.db2.gz HZUMUDKUDPHUCB-GFCCVEGCSA-N 1 0 333.392 1.487 20 5 EDBDRO CCC1([NH+]2CCOCC2)CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000863491068 596597298 /nfs/dbraw/zinc/59/72/98/596597298.db2.gz QATRUUBFENNJNS-UHFFFAOYSA-N 1 0 341.452 1.925 20 5 EDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000869785774 596637390 /nfs/dbraw/zinc/63/73/90/596637390.db2.gz DMLAIJSWRKNEMW-GPAKFWEMSA-N 1 0 333.388 1.569 20 5 EDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867976700 596641877 /nfs/dbraw/zinc/64/18/77/596641877.db2.gz RCFFCUKRHCMGQC-CYBMUJFWSA-N 1 0 341.383 1.485 20 5 EDBDRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119572402 596650077 /nfs/dbraw/zinc/65/00/77/596650077.db2.gz XSDGOFZRDZJLTN-JTQLQIEISA-N 1 0 333.435 1.667 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000868031456 596661587 /nfs/dbraw/zinc/66/15/87/596661587.db2.gz GAGZEKBROQYZKD-WFASDCNBSA-N 1 0 343.387 1.545 20 5 EDBDRO C[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000119613060 596671815 /nfs/dbraw/zinc/67/18/15/596671815.db2.gz CMKRRJWHUXMMAW-SNVBAGLBSA-N 1 0 333.435 1.667 20 5 EDBDRO O=C1OC[C@@]2(C[NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)COCCN12 ZINC000865769987 596676065 /nfs/dbraw/zinc/67/60/65/596676065.db2.gz ZHYAGJFMXJUDQA-CQSZACIVSA-N 1 0 341.751 1.559 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000865770459 596676742 /nfs/dbraw/zinc/67/67/42/596676742.db2.gz MAVGPGDDAJBOHM-SDSFWRRZSA-N 1 0 347.371 1.809 20 5 EDBDRO COC(=O)Cc1ccc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866209857 596828662 /nfs/dbraw/zinc/82/86/62/596828662.db2.gz WLEWIGYIAJBWOI-KGLIPLIRSA-N 1 0 333.388 1.841 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CC3(CO2)CCOCC3)c1 ZINC000872231785 596847113 /nfs/dbraw/zinc/84/71/13/596847113.db2.gz RWXWERHZRNSFMZ-HZPDHXFCSA-N 1 0 336.388 1.804 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2C[C@H]2C2CCOCC2)c1 ZINC000872239360 596849754 /nfs/dbraw/zinc/84/97/54/596849754.db2.gz GSUIDYYUGPRWFX-BHYGNILZSA-N 1 0 336.388 1.739 20 5 EDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)N(C)C ZINC000866364333 596867688 /nfs/dbraw/zinc/86/76/88/596867688.db2.gz MQAZLLOQONNUQY-SNVBAGLBSA-N 1 0 333.385 1.146 20 5 EDBDRO CCC(=O)c1ccc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000872757575 597059674 /nfs/dbraw/zinc/05/96/74/597059674.db2.gz GDQBAOYLJZBMLI-UONOGXRCSA-N 1 0 333.388 1.833 20 5 EDBDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000876587005 597251590 /nfs/dbraw/zinc/25/15/90/597251590.db2.gz KGJNXZGBYTWERE-JHAQOBCDSA-N 1 0 345.403 1.194 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000876757330 597325085 /nfs/dbraw/zinc/32/50/85/597325085.db2.gz BWRSLBPXMSSMCL-OAHLLOKOSA-N 1 0 337.420 1.337 20 5 EDBDRO C[C@@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C[NH2+]1 ZINC000877050452 597422199 /nfs/dbraw/zinc/42/21/99/597422199.db2.gz ZVEABJMATPSZKL-CHWSQXEVSA-N 1 0 348.403 1.302 20 5 EDBDRO CN(C)[C@]1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCSC1 ZINC000877074743 597426740 /nfs/dbraw/zinc/42/67/40/597426740.db2.gz RKYVZNGSFUOXOD-YIZWMMSDSA-N 1 0 325.438 1.522 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877347321 597498067 /nfs/dbraw/zinc/49/80/67/597498067.db2.gz UCBHGXSCEBWCPK-MRXNPFEDSA-N 1 0 325.368 1.968 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C(F)(F)F ZINC000877369527 597503220 /nfs/dbraw/zinc/50/32/20/597503220.db2.gz VVZSLEMXMKNHNM-GMSGAONNSA-N 1 0 335.257 1.943 20 5 EDBDRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877623479 597542383 /nfs/dbraw/zinc/54/23/83/597542383.db2.gz QTFZQRRYCJPNNA-VJURLKAVSA-N 1 0 326.422 1.774 20 5 EDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879576075 597639133 /nfs/dbraw/zinc/63/91/33/597639133.db2.gz PQBIDVXMDMKPDL-XJKCOSOUSA-N 1 0 332.404 1.948 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2C[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000883262272 597696213 /nfs/dbraw/zinc/69/62/13/597696213.db2.gz BXIVVDIWFHTDJZ-JOCQHMNTSA-N 1 0 338.360 1.661 20 5 EDBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881955338 597817209 /nfs/dbraw/zinc/81/72/09/597817209.db2.gz FEKMFASGPFCEMR-ZDUSSCGKSA-N 1 0 337.399 1.735 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000882246879 597912189 /nfs/dbraw/zinc/91/21/89/597912189.db2.gz TYXGHPRJMPFOTN-JTQLQIEISA-N 1 0 347.824 1.787 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000882246880 597912475 /nfs/dbraw/zinc/91/24/75/597912475.db2.gz TYXGHPRJMPFOTN-SNVBAGLBSA-N 1 0 347.824 1.787 20 5 EDBDRO CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000884049901 597978583 /nfs/dbraw/zinc/97/85/83/597978583.db2.gz ITWXSFDRZCMUCK-OAHLLOKOSA-N 1 0 332.404 1.489 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCCO2)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000884250485 598043295 /nfs/dbraw/zinc/04/32/95/598043295.db2.gz GALRNYOREKNEIA-QGZVFWFLSA-N 1 0 347.371 1.582 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1C ZINC000884290121 598056456 /nfs/dbraw/zinc/05/64/56/598056456.db2.gz RTKOFMOWBIUWJN-AWEZNQCLSA-N 1 0 332.404 1.331 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H](O)c2ccccc2)c1 ZINC000916633020 696690955 /nfs/dbraw/zinc/69/09/55/696690955.db2.gz FLPMZXHGYUUGEA-RDJZCZTQSA-N 1 0 332.356 1.658 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000918581337 697184098 /nfs/dbraw/zinc/18/40/98/697184098.db2.gz NFOHPDUPBAGQOL-LSDHHAIUSA-N 1 0 343.387 1.688 20 5 EDBDRO COc1ccnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000940107995 700220061 /nfs/dbraw/zinc/22/00/61/700220061.db2.gz VALJMGWKFBAECT-HUUCEWRRSA-N 1 0 348.403 1.226 20 5 EDBDRO CCc1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000996429286 702783463 /nfs/dbraw/zinc/78/34/63/702783463.db2.gz OJGLWCKPGITULJ-IAGOWNOFSA-N 1 0 331.416 1.995 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ncc(C3CC3)o2)CC1 ZINC000997770202 704670730 /nfs/dbraw/zinc/67/07/30/704670730.db2.gz UPQFDSJVUCOBPS-ZIAGYGMSSA-N 1 0 348.403 1.545 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)F)CC1 ZINC001034575218 710261610 /nfs/dbraw/zinc/26/16/10/710261610.db2.gz ASKXMNVEDFKGTP-XYPYZODXSA-N 1 0 341.387 1.593 20 5 EDBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1cccnn1 ZINC001003827852 710638385 /nfs/dbraw/zinc/63/83/85/710638385.db2.gz NCFXKYFLOADDNO-UHFFFAOYSA-N 1 0 341.371 1.779 20 5 EDBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1cnon1 ZINC001034760202 711019780 /nfs/dbraw/zinc/01/97/80/711019780.db2.gz XAGVXAXRUUVSDA-JOCQHMNTSA-N 1 0 345.359 1.809 20 5 EDBDRO COc1cc(C[NH2+]CC[C@H]2CC(=O)N(C)C2)c([N+](=O)[O-])cc1OC ZINC000922488422 711607356 /nfs/dbraw/zinc/60/73/56/711607356.db2.gz JVVLASXYPOCUAK-NSHDSACASA-N 1 0 337.376 1.570 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000378247925 282225058 /nfs/dbraw/zinc/22/50/58/282225058.db2.gz FTPGHXFWADJBBF-INWMFGNUSA-N 1 0 348.403 1.501 20 5 EDBDRO C[NH2+]C[C@H](C)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000178349002 290706341 /nfs/dbraw/zinc/70/63/41/290706341.db2.gz BRZONSGUIIRDOX-JTQLQIEISA-N 1 0 325.365 1.126 20 5 EDBDRO CNC(=O)c1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000131705647 529940440 /nfs/dbraw/zinc/94/04/40/529940440.db2.gz MCBOYPFEXMSQGA-ZDUSSCGKSA-N 1 0 332.404 1.877 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)C1 ZINC000179005199 529993025 /nfs/dbraw/zinc/99/30/25/529993025.db2.gz LGZVUJRIKMQVLX-LBPRGKRZSA-N 1 0 344.375 1.165 20 5 EDBDRO COC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000066836021 215084704 /nfs/dbraw/zinc/08/47/04/215084704.db2.gz JGZFMHFQRUWITQ-LBPRGKRZSA-N 1 0 335.360 1.808 20 5 EDBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412362504 304001764 /nfs/dbraw/zinc/00/17/64/304001764.db2.gz AZMHQCQSTDEFSH-YESZJQIVSA-N 1 0 347.415 1.661 20 5 EDBDRO O=C1CCCN1C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000179548681 233154442 /nfs/dbraw/zinc/15/44/42/233154442.db2.gz WADBJGHKTMZIPJ-MRXNPFEDSA-N 1 0 343.387 1.745 20 5 EDBDRO C[C@H]1CCC[C@@](CNC(=O)CCn2cc([N+](=O)[O-])cn2)([NH+](C)C)C1 ZINC000068209114 215289939 /nfs/dbraw/zinc/28/99/39/215289939.db2.gz MGBNJGKBWKKCJV-XJKSGUPXSA-N 1 0 337.424 1.808 20 5 EDBDRO Cc1ccccc1[C@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000563002618 306315589 /nfs/dbraw/zinc/31/55/89/306315589.db2.gz IIWAIFWMKXBNOC-IIAWOOMASA-N 1 0 330.388 1.996 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CN[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000563347911 306328694 /nfs/dbraw/zinc/32/86/94/306328694.db2.gz GDBXJMROHPEAGA-SWLSCSKDSA-N 1 0 346.387 1.158 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C[C@@H]21 ZINC000362024462 283152642 /nfs/dbraw/zinc/15/26/42/283152642.db2.gz QIRCCNFXTJHIIA-JQWIXIFHSA-N 1 0 343.380 1.449 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+](CC)CC ZINC000076825445 138250039 /nfs/dbraw/zinc/25/00/39/138250039.db2.gz VKFXGARBMLEILL-UHFFFAOYSA-N 1 0 329.422 1.777 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185907269 235782776 /nfs/dbraw/zinc/78/27/76/235782776.db2.gz VJMXHYWNXKOOKY-RYUDHWBXSA-N 1 0 327.406 1.746 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000186967151 236081757 /nfs/dbraw/zinc/08/17/57/236081757.db2.gz NISLSWUKKGQKNM-CYBMUJFWSA-N 1 0 335.404 1.820 20 5 EDBDRO CNC(=O)CN1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000365007417 283318930 /nfs/dbraw/zinc/31/89/30/283318930.db2.gz IXJAGSOJGWEONY-AWEZNQCLSA-N 1 0 334.420 1.718 20 5 EDBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000564798254 306365348 /nfs/dbraw/zinc/36/53/48/306365348.db2.gz RBNAHWPZZKTSPZ-UHFFFAOYSA-N 1 0 340.405 1.144 20 5 EDBDRO Cc1c([C@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000129723426 223085265 /nfs/dbraw/zinc/08/52/65/223085265.db2.gz BHPJSGUEVPKKRN-LBPRGKRZSA-N 1 0 341.433 1.978 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000131133117 223208110 /nfs/dbraw/zinc/20/81/10/223208110.db2.gz WOKRBMJPPSCNHK-GXTWGEPZSA-N 1 0 334.376 1.475 20 5 EDBDRO Nc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000131346867 223224876 /nfs/dbraw/zinc/22/48/76/223224876.db2.gz TWICGMFZQFLADX-ZDUSSCGKSA-N 1 0 336.392 1.144 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000566224537 306404397 /nfs/dbraw/zinc/40/43/97/306404397.db2.gz PUKWJSKURPKNKX-YPMHNXCESA-N 1 0 341.433 1.763 20 5 EDBDRO COc1cc(CN2CC[NH2+]C[C@](C)(F)C2)c([N+](=O)[O-])cc1OC ZINC000414772961 304139473 /nfs/dbraw/zinc/13/94/73/304139473.db2.gz VYHMJLHAKIRNBV-HNNXBMFYSA-N 1 0 327.356 1.745 20 5 EDBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCC[NH2+]C1CCCCCC1 ZINC000566858865 306430953 /nfs/dbraw/zinc/43/09/53/306430953.db2.gz CZYLWOPLQASBNZ-UHFFFAOYSA-N 1 0 336.392 1.185 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCC2)c(C)cc1[N+](=O)[O-] ZINC000566962618 306434348 /nfs/dbraw/zinc/43/43/48/306434348.db2.gz IOAGISQGGXBDDG-CYBMUJFWSA-N 1 0 341.433 1.974 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195302441 139013078 /nfs/dbraw/zinc/01/30/78/139013078.db2.gz VGEGHWQCXYZTIP-AOOOYVTPSA-N 1 0 345.808 1.397 20 5 EDBDRO Cc1nn(CCC(=O)N(C)CC[C@@H]([NH3+])C(C)C)c(C)c1[N+](=O)[O-] ZINC000236824083 139032795 /nfs/dbraw/zinc/03/27/95/139032795.db2.gz FMKVJISXRUBRDP-CYBMUJFWSA-N 1 0 325.413 1.630 20 5 EDBDRO CC[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000237036147 139038624 /nfs/dbraw/zinc/03/86/24/139038624.db2.gz LYTAQHMEUOFBEL-UHFFFAOYSA-N 1 0 336.348 1.965 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000237049974 139039087 /nfs/dbraw/zinc/03/90/87/139039087.db2.gz YXLOVPKZMQRCDK-NSHDSACASA-N 1 0 337.376 1.813 20 5 EDBDRO COc1cc(OCC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000237225402 139044988 /nfs/dbraw/zinc/04/49/88/139044988.db2.gz ZLQOAFPZZZKOKA-VXGBXAGGSA-N 1 0 337.376 1.568 20 5 EDBDRO C[NH2+]CC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000237358101 139049163 /nfs/dbraw/zinc/04/91/63/139049163.db2.gz IYMNFGSDDYGIGY-UHFFFAOYSA-N 1 0 343.405 1.224 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000237478656 139052276 /nfs/dbraw/zinc/05/22/76/139052276.db2.gz DJPNNWHLSBIHRP-VHSXEESVSA-N 1 0 347.824 1.996 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[C@@H](C)C[NH2+]1 ZINC000237580600 139054681 /nfs/dbraw/zinc/05/46/81/139054681.db2.gz JAPBAGLDYBBENZ-RYUDHWBXSA-N 1 0 329.360 1.603 20 5 EDBDRO [NH3+]C1(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000237844742 139061796 /nfs/dbraw/zinc/06/17/96/139061796.db2.gz AKWXDLXCYOEDMW-UHFFFAOYSA-N 1 0 327.406 1.676 20 5 EDBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237971149 139065387 /nfs/dbraw/zinc/06/53/87/139065387.db2.gz XOTKYLPRZSFISO-PBWFPOADSA-N 1 0 341.371 1.793 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000246109454 139095286 /nfs/dbraw/zinc/09/52/86/139095286.db2.gz IBBISBACNKLBAD-GXFFZTMASA-N 1 0 345.396 1.695 20 5 EDBDRO CC[C@H]1CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000246790599 139121899 /nfs/dbraw/zinc/12/18/99/139121899.db2.gz JJIBVHOHMFRZIR-ZFWWWQNUSA-N 1 0 335.404 1.820 20 5 EDBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000266043029 248057883 /nfs/dbraw/zinc/05/78/83/248057883.db2.gz SUCRQGVZGJZGBU-HNNXBMFYSA-N 1 0 334.420 1.234 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000247881000 139155539 /nfs/dbraw/zinc/15/55/39/139155539.db2.gz BPXBKWHVXAKSHF-KYJSFNMBSA-N 1 0 349.431 1.751 20 5 EDBDRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000415396807 304213063 /nfs/dbraw/zinc/21/30/63/304213063.db2.gz IDEGRAREQPITDW-UHFFFAOYSA-N 1 0 334.376 1.300 20 5 EDBDRO COCC1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[NH2+]CC1 ZINC000261711551 139219660 /nfs/dbraw/zinc/21/96/60/139219660.db2.gz KQVWNOICVOIRRH-UHFFFAOYSA-N 1 0 340.355 1.062 20 5 EDBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000261714581 139219878 /nfs/dbraw/zinc/21/98/78/139219878.db2.gz PKAIXAWHEOJJHS-UHFFFAOYSA-N 1 0 327.406 1.748 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@](C)(C[NH3+])C1 ZINC000261745242 139222487 /nfs/dbraw/zinc/22/24/87/139222487.db2.gz PQFZSHAJVCUWEK-BDJLRTHQSA-N 1 0 336.392 1.601 20 5 EDBDRO C[C@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000261791543 139226336 /nfs/dbraw/zinc/22/63/36/139226336.db2.gz MANVQAVPNQXPOZ-GXTWGEPZSA-N 1 0 343.387 1.980 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261808413 139227727 /nfs/dbraw/zinc/22/77/27/139227727.db2.gz GDXUFFQKMPETFB-UBHSHLNASA-N 1 0 339.417 1.651 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000261949871 139239382 /nfs/dbraw/zinc/23/93/82/139239382.db2.gz FUVXTVNXZJESLC-UHFFFAOYSA-N 1 0 328.332 1.851 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262065308 139247927 /nfs/dbraw/zinc/24/79/27/139247927.db2.gz FKINJHDUQBKYEA-NEPJUHHUSA-N 1 0 325.390 1.418 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000262428387 139278345 /nfs/dbraw/zinc/27/83/45/139278345.db2.gz FOYBDYTXIXCJMV-NEPJUHHUSA-N 1 0 325.390 1.133 20 5 EDBDRO Cc1ccc(NCCCNC(=O)NC[C@@H]([NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000417708682 251238165 /nfs/dbraw/zinc/23/81/65/251238165.db2.gz ACKSGOSNOZXSMZ-CYBMUJFWSA-N 1 0 335.408 1.742 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000262507041 139283157 /nfs/dbraw/zinc/28/31/57/139283157.db2.gz MQENIDATQFPTNB-GXSJLCMTSA-N 1 0 329.353 1.106 20 5 EDBDRO [NH3+]C[C@H]1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000262532522 139284548 /nfs/dbraw/zinc/28/45/48/139284548.db2.gz KCKOTGMQVVBSTH-SECBINFHSA-N 1 0 347.293 1.957 20 5 EDBDRO C[C@H](CCCC[NH3+])NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418711016 251391748 /nfs/dbraw/zinc/39/17/48/251391748.db2.gz VNGACOFXQWXMJF-CQSZACIVSA-N 1 0 349.435 1.944 20 5 EDBDRO CC[C@H]([NH3+])CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418704419 251388184 /nfs/dbraw/zinc/38/81/84/251388184.db2.gz GDGGXKFZPINCEM-LBPRGKRZSA-N 1 0 336.392 1.885 20 5 EDBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262599699 139289213 /nfs/dbraw/zinc/28/92/13/139289213.db2.gz OBWQDCXBWGKDGV-MNOVXSKESA-N 1 0 342.355 1.815 20 5 EDBDRO CCCC[C@@H](C[NH3+])NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000422905045 252018422 /nfs/dbraw/zinc/01/84/22/252018422.db2.gz RJUITTCGZWHKDA-ZDUSSCGKSA-N 1 0 336.392 1.267 20 5 EDBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H](O)CN2CCOCC2)C2CC2)cc1 ZINC000305728735 285111840 /nfs/dbraw/zinc/11/18/40/285111840.db2.gz KAEXRSZEDIWQLT-KRWDZBQOSA-N 1 0 335.404 1.252 20 5 EDBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000112363981 220314785 /nfs/dbraw/zinc/31/47/85/220314785.db2.gz PZMPYKLBKRHPMG-UHFFFAOYSA-N 1 0 329.422 1.913 20 5 EDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000261582644 285175886 /nfs/dbraw/zinc/17/58/86/285175886.db2.gz GTSFHNXXMWEZBT-BDAKNGLRSA-N 1 0 327.182 1.798 20 5 EDBDRO CN1CC[NH+](CCCCNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000491094655 255120374 /nfs/dbraw/zinc/12/03/74/255120374.db2.gz XAOZXSXTPXVXKB-HJWRWDBZSA-N 1 0 346.431 1.752 20 5 EDBDRO COCC(C)(C)C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000494106962 255237432 /nfs/dbraw/zinc/23/74/32/255237432.db2.gz LNRVPVCZVFAHCX-UHFFFAOYSA-N 1 0 345.421 1.135 20 5 EDBDRO COC(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000263889550 139367614 /nfs/dbraw/zinc/36/76/14/139367614.db2.gz RLNLOLHXJGHOLB-JSGCOSHPSA-N 1 0 338.360 1.220 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000129659569 533221518 /nfs/dbraw/zinc/22/15/18/533221518.db2.gz PDVJWXGVPBZSDE-LBPRGKRZSA-N 1 0 336.392 1.697 20 5 EDBDRO Cc1c(C(=O)N[C@@](C)(C[NH3+])C2CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000154924358 224327764 /nfs/dbraw/zinc/32/77/64/224327764.db2.gz CYIVJYNTDPNUQI-INIZCTEOSA-N 1 0 344.375 1.341 20 5 EDBDRO COc1cc(C(=O)NCC[NH2+]C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000153894955 533533835 /nfs/dbraw/zinc/53/38/35/533533835.db2.gz SFYSKCFAJNOLLD-UHFFFAOYSA-N 1 0 325.365 1.730 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000267216739 139589690 /nfs/dbraw/zinc/58/96/90/139589690.db2.gz CLMMWVCGHVPAHM-CMPLNLGQSA-N 1 0 342.421 1.527 20 5 EDBDRO Cc1c(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000270293893 140075017 /nfs/dbraw/zinc/07/50/17/140075017.db2.gz XKLCUTYGDXXOGB-UHFFFAOYSA-N 1 0 344.371 1.879 20 5 EDBDRO C[C@@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000271358486 140284536 /nfs/dbraw/zinc/28/45/36/140284536.db2.gz IHPINDLLXSZBAW-PSASIEDQSA-N 1 0 333.435 1.446 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000272793839 140513544 /nfs/dbraw/zinc/51/35/44/140513544.db2.gz CWXXEPLEJZHHRK-WDEREUQCSA-N 1 0 342.421 1.527 20 5 EDBDRO CCn1cccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1=O ZINC000572114195 306581450 /nfs/dbraw/zinc/58/14/50/306581450.db2.gz HKOBREITNJEEQY-UHFFFAOYSA-N 1 0 344.371 1.895 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000332409750 141177398 /nfs/dbraw/zinc/17/73/98/141177398.db2.gz QQPZSYGAYGVBGI-VXGBXAGGSA-N 1 0 336.396 1.408 20 5 EDBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2nnnn2-c2ccccc2)cs1 ZINC000337876044 141688176 /nfs/dbraw/zinc/68/81/76/141688176.db2.gz UPSUFZFARDNSTE-UHFFFAOYSA-N 1 0 330.373 1.964 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(Cc3cc([N+](=O)[O-])ccc3OC)[C@@H]2C1 ZINC000339389233 142034283 /nfs/dbraw/zinc/03/42/83/142034283.db2.gz BGRYVDRODMRSFP-WBVHZDCISA-N 1 0 335.404 1.898 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cnccn1 ZINC000341871426 142660031 /nfs/dbraw/zinc/66/00/31/142660031.db2.gz FRCCIAFCEOKVAL-LBPRGKRZSA-N 1 0 329.360 1.934 20 5 EDBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000345687061 143121524 /nfs/dbraw/zinc/12/15/24/143121524.db2.gz YGYIUVMOQIOVRN-NSHDSACASA-N 1 0 340.355 1.654 20 5 EDBDRO CCCc1[nH]nc(C(=O)N(C)C[C@H]2C[C@H](OC)C[N@@H+]2C)c1[N+](=O)[O-] ZINC000346701263 143234263 /nfs/dbraw/zinc/23/42/63/143234263.db2.gz SGPIPHSAFOSMBU-MNOVXSKESA-N 1 0 339.396 1.062 20 5 EDBDRO O=C([C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1)N1CC[NH2+]CC1 ZINC000347039487 143275072 /nfs/dbraw/zinc/27/50/72/143275072.db2.gz HDIYXKUKYRANLJ-ZDUSSCGKSA-N 1 0 338.433 1.300 20 5 EDBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000347127922 143285538 /nfs/dbraw/zinc/28/55/38/143285538.db2.gz HDXYMOXNXMBXME-GFCCVEGCSA-N 1 0 347.371 1.870 20 5 EDBDRO COc1cc(OCC(=O)N(C)[C@H]2C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000347955745 143383333 /nfs/dbraw/zinc/38/33/33/143383333.db2.gz SZQOMXJALYGJSK-HNNXBMFYSA-N 1 0 349.387 1.535 20 5 EDBDRO NC(=O)CCC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000347988738 143388011 /nfs/dbraw/zinc/38/80/11/143388011.db2.gz IULOOSYHEWSRQW-UHFFFAOYSA-N 1 0 348.403 1.901 20 5 EDBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1c(C)nn(C)c1C ZINC000348045400 143395342 /nfs/dbraw/zinc/39/53/42/143395342.db2.gz NNYANWYCXVGRPV-AWEZNQCLSA-N 1 0 333.392 1.848 20 5 EDBDRO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000352758541 149153553 /nfs/dbraw/zinc/15/35/53/149153553.db2.gz OOXQOIXMHRYSMT-CYBMUJFWSA-N 1 0 329.360 1.631 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000352966247 149232917 /nfs/dbraw/zinc/23/29/17/149232917.db2.gz ITOATDXWIZCYNB-GFCCVEGCSA-N 1 0 332.809 1.958 20 5 EDBDRO CC(C)[C@H]1CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000353389805 149388746 /nfs/dbraw/zinc/38/87/46/149388746.db2.gz XAYWRAJRSYZIAQ-HUUCEWRRSA-N 1 0 341.433 1.897 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CCN1C1CC[NH+](C)CC1 ZINC000354984550 150064818 /nfs/dbraw/zinc/06/48/18/150064818.db2.gz NRNSHCPOEHBSHP-CYBMUJFWSA-N 1 0 349.435 1.174 20 5 EDBDRO CC[C@H]1C[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000355753289 150386769 /nfs/dbraw/zinc/38/67/69/150386769.db2.gz ZLUMCLYVVAAZNU-JSGCOSHPSA-N 1 0 338.360 1.349 20 5 EDBDRO COC(=O)COc1ccc(C[N@H+](C)CC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000355755484 150387517 /nfs/dbraw/zinc/38/75/17/150387517.db2.gz AAAPOZXXUOROBD-LLVKDONJSA-N 1 0 326.349 1.349 20 5 EDBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357180831 150948860 /nfs/dbraw/zinc/94/88/60/150948860.db2.gz BUVVETBRHQSOCD-JHJVBQTASA-N 1 0 347.419 1.930 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)s1 ZINC000357704120 151120429 /nfs/dbraw/zinc/12/04/29/151120429.db2.gz UFDLPGAOKGSFRK-NSHDSACASA-N 1 0 345.446 1.667 20 5 EDBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)Cn1cc([N+](=O)[O-])cn1)[NH+](C)C ZINC000357853708 151173583 /nfs/dbraw/zinc/17/35/83/151173583.db2.gz CNJGDRARXXKJTR-GUYCJALGSA-N 1 0 345.403 1.907 20 5 EDBDRO Cn1ccnc1[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000573834975 306636519 /nfs/dbraw/zinc/63/65/19/306636519.db2.gz JMPFWNWRJUHRKA-XJKSGUPXSA-N 1 0 346.387 1.809 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H](CO)C3CCOCC3)n2)c1 ZINC000359856900 151845807 /nfs/dbraw/zinc/84/58/07/151845807.db2.gz DEKBWAVGOAOHOM-CQSZACIVSA-N 1 0 348.359 1.522 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000360468501 152056774 /nfs/dbraw/zinc/05/67/74/152056774.db2.gz VZHKDUCYZLMLKZ-MGPQQGTHSA-N 1 0 332.404 1.983 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000360650286 152138725 /nfs/dbraw/zinc/13/87/25/152138725.db2.gz CFZKCCXKJAEAQG-QWRGUYRKSA-N 1 0 343.405 1.364 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000360651728 152138978 /nfs/dbraw/zinc/13/89/78/152138978.db2.gz IQQIHIRWTFHABK-CHWSQXEVSA-N 1 0 341.433 1.973 20 5 EDBDRO COc1cc(OCC(=O)N[C@@H]2C[C@@H]2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000361078131 152296841 /nfs/dbraw/zinc/29/68/41/152296841.db2.gz GENZZMZNVUFFAS-ZIAGYGMSSA-N 1 0 349.387 1.487 20 5 EDBDRO CNc1c(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)cccc1[N+](=O)[O-] ZINC000361209926 152336636 /nfs/dbraw/zinc/33/66/36/152336636.db2.gz JHJUMZPFMPDLJA-GFCCVEGCSA-N 1 0 336.392 1.477 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417181035 304381331 /nfs/dbraw/zinc/38/13/31/304381331.db2.gz NTQPMQJBNGYMRK-MBNYWOFBSA-N 1 0 348.403 1.791 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363834917 153070486 /nfs/dbraw/zinc/07/04/86/153070486.db2.gz RRDDXURLYFKFSZ-WZFZXHKMSA-N 1 0 345.399 1.978 20 5 EDBDRO COc1cc(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000364139196 153153850 /nfs/dbraw/zinc/15/38/50/153153850.db2.gz NHVDIRUQNUBQIU-UHFFFAOYSA-N 1 0 328.328 1.896 20 5 EDBDRO CC(C)N1CCC[C@H]([N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)C1=O ZINC000364325948 153206320 /nfs/dbraw/zinc/20/63/20/153206320.db2.gz SMSUHGSSWAFPGO-HIFRSBDPSA-N 1 0 335.408 1.828 20 5 EDBDRO Nc1c(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC000370222736 155385508 /nfs/dbraw/zinc/38/55/08/155385508.db2.gz NEQBBRJUAYOEHM-UONOGXRCSA-N 1 0 344.346 1.883 20 5 EDBDRO Cc1nn(CCC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000365328166 153484366 /nfs/dbraw/zinc/48/43/66/153484366.db2.gz UQHJUBKVYUYDIT-CQSZACIVSA-N 1 0 335.408 1.495 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000420285380 286382423 /nfs/dbraw/zinc/38/24/23/286382423.db2.gz OYMMJBMDSIHYNY-GFCCVEGCSA-N 1 0 332.364 1.495 20 5 EDBDRO CO[C@@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000417226426 304385780 /nfs/dbraw/zinc/38/57/80/304385780.db2.gz KOBXSKIBDOXTMX-LSDHHAIUSA-N 1 0 336.392 1.285 20 5 EDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCn2ccnc2C1 ZINC000367250991 154053833 /nfs/dbraw/zinc/05/38/33/154053833.db2.gz BJSOPIUCJYZKLW-SECBINFHSA-N 1 0 333.323 1.505 20 5 EDBDRO COc1cc(C(=O)N2CCC3(C2)CC[NH2+]CC3)c([N+](=O)[O-])cc1OC ZINC000367372119 154093012 /nfs/dbraw/zinc/09/30/12/154093012.db2.gz PZYAWHCWGCRTGL-UHFFFAOYSA-N 1 0 349.387 1.828 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000367582910 154185201 /nfs/dbraw/zinc/18/52/01/154185201.db2.gz QCVJIIWUCKSTBG-WFASDCNBSA-N 1 0 339.417 1.618 20 5 EDBDRO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000371584931 156016443 /nfs/dbraw/zinc/01/64/43/156016443.db2.gz CYZVWYHGLOTTDT-GOEBONIOSA-N 1 0 335.379 1.819 20 5 EDBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000373896068 157053062 /nfs/dbraw/zinc/05/30/62/157053062.db2.gz PURRJQBEVUDBCZ-YNEHKIRRSA-N 1 0 332.360 1.252 20 5 EDBDRO O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000377938874 158033596 /nfs/dbraw/zinc/03/35/96/158033596.db2.gz IVEYXTHMLFYGJK-CYBMUJFWSA-N 1 0 344.375 1.537 20 5 EDBDRO C[C@@]1(c2ccccc2)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000378127274 158086108 /nfs/dbraw/zinc/08/61/08/158086108.db2.gz PIXBNCIETPVKKP-DLBZAZTESA-N 1 0 330.388 1.816 20 5 EDBDRO CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H]1C[NH+]2CCC1CC2 ZINC000352432017 162178542 /nfs/dbraw/zinc/17/85/42/162178542.db2.gz QAZQCGGCRPVGCG-ZDUSSCGKSA-N 1 0 333.344 1.490 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)OCCO ZINC000352516937 162225377 /nfs/dbraw/zinc/22/53/77/162225377.db2.gz AUFUFZJEGNSDPR-LBPRGKRZSA-N 1 0 339.392 1.689 20 5 EDBDRO [NH3+]C[C@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC000418086361 304456553 /nfs/dbraw/zinc/45/65/53/304456553.db2.gz YPPCJVVHYLKYOR-AWEZNQCLSA-N 1 0 346.391 1.788 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000076925663 287286513 /nfs/dbraw/zinc/28/65/13/287286513.db2.gz QJHQYRFPFOHVDE-INIZCTEOSA-N 1 0 343.387 1.851 20 5 EDBDRO COc1ccc(NC(=O)CN2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000128001198 287449416 /nfs/dbraw/zinc/44/94/16/287449416.db2.gz FPKOAKBQRCYXDC-UHFFFAOYSA-N 1 0 336.392 1.568 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000130938773 287502378 /nfs/dbraw/zinc/50/23/78/287502378.db2.gz FITVJGBBXQGLCX-ZDUSSCGKSA-N 1 0 327.406 1.356 20 5 EDBDRO COC(=O)c1cc(N2CC[NH+](C[C@H](C)O)CC2)cc(C)c1[N+](=O)[O-] ZINC000274972361 268254230 /nfs/dbraw/zinc/25/42/30/268254230.db2.gz AACNYPZUAOWJTQ-LBPRGKRZSA-N 1 0 337.376 1.193 20 5 EDBDRO C[N@H+]1CC=C(CNC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000273105103 273028514 /nfs/dbraw/zinc/02/85/14/273028514.db2.gz MVRFNVMEJZBZSY-MRXNPFEDSA-N 1 0 344.371 1.466 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC000276016832 268391623 /nfs/dbraw/zinc/39/16/23/268391623.db2.gz QMIJALGCXLEXSZ-UHFFFAOYSA-N 1 0 335.360 1.580 20 5 EDBDRO CCCC[N@H+](CCCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273174796 273032119 /nfs/dbraw/zinc/03/21/19/273032119.db2.gz PHRQLAOVJKWNHT-AWEZNQCLSA-N 1 0 326.393 1.819 20 5 EDBDRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000278908429 273270275 /nfs/dbraw/zinc/27/02/75/273270275.db2.gz ZDYBLGKNPDJUAD-UGFHNGPFSA-N 1 0 337.376 1.705 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000161241688 274099618 /nfs/dbraw/zinc/09/96/18/274099618.db2.gz OBLGOUFDHAXXCT-GFCCVEGCSA-N 1 0 345.421 1.597 20 5 EDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284489426 274220523 /nfs/dbraw/zinc/22/05/23/274220523.db2.gz UINYNIKOMSGRKP-SNVBAGLBSA-N 1 0 342.371 1.403 20 5 EDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000284491310 274221428 /nfs/dbraw/zinc/22/14/28/274221428.db2.gz GJQXLZVEQLOIDD-BBRMVZONSA-N 1 0 331.376 1.774 20 5 EDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000284527059 274234312 /nfs/dbraw/zinc/23/43/12/274234312.db2.gz WNOOECQDGIAMGF-QMTHXVAHSA-N 1 0 336.367 1.872 20 5 EDBDRO COc1ccc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)cc1[N+](=O)[O-] ZINC000285479117 274556690 /nfs/dbraw/zinc/55/66/90/274556690.db2.gz LIZSBIZNGCHCRJ-UHFFFAOYSA-N 1 0 348.359 1.214 20 5 EDBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261594075 275032942 /nfs/dbraw/zinc/03/29/42/275032942.db2.gz NHUWPYYDFMSMFR-WPRPVWTQSA-N 1 0 327.182 1.941 20 5 EDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CS(=O)(=O)CCO1)CCC2 ZINC000447581357 275037874 /nfs/dbraw/zinc/03/78/74/275037874.db2.gz UDRCBNYTHHBOIB-ZFWWWQNUSA-N 1 0 340.401 1.375 20 5 EDBDRO CC(C)[NH2+]C1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000345188409 275656695 /nfs/dbraw/zinc/65/66/95/275656695.db2.gz HHTKWXKLBBRFNP-UHFFFAOYSA-N 1 0 341.433 1.965 20 5 EDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000236826685 275691716 /nfs/dbraw/zinc/69/17/16/275691716.db2.gz OOGUKJKCOLSVDN-MEDUHNTESA-N 1 0 336.392 1.203 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000272481316 276075328 /nfs/dbraw/zinc/07/53/28/276075328.db2.gz JMLDLPJGBWTKEZ-LLVKDONJSA-N 1 0 342.421 1.020 20 5 EDBDRO CC(C)[C@H](CCO)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000161757561 277885729 /nfs/dbraw/zinc/88/57/29/277885729.db2.gz SFWKCVXDUCHKMQ-ZDUSSCGKSA-N 1 0 337.376 1.889 20 5 EDBDRO CS[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270645302 278166819 /nfs/dbraw/zinc/16/68/19/278166819.db2.gz KNOBZLVESONGCD-KBPBESRZSA-N 1 0 338.433 1.511 20 5 EDBDRO C[C@@H]([NH2+]CC(=O)N1CCOC[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000371542153 278338348 /nfs/dbraw/zinc/33/83/48/278338348.db2.gz IIMAMYUJHWJWFT-WBMJQRKESA-N 1 0 333.388 1.883 20 5 EDBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H](C)C1 ZINC000488747890 279008134 /nfs/dbraw/zinc/00/81/34/279008134.db2.gz FZZLGNWLJRKFLN-YNEHKIRRSA-N 1 0 330.392 1.804 20 5 EDBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000332049681 279188103 /nfs/dbraw/zinc/18/81/03/279188103.db2.gz XJWNDWXHJZSEQB-UHFFFAOYSA-N 1 0 335.408 1.910 20 5 EDBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000237854224 279634977 /nfs/dbraw/zinc/63/49/77/279634977.db2.gz SDPYVAVEAWUXRY-LBPRGKRZSA-N 1 0 330.348 1.129 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000287387498 288226539 /nfs/dbraw/zinc/22/65/39/288226539.db2.gz INRUBMODZXAGCX-OCCSQVGLSA-N 1 0 343.387 1.958 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCCn1cc(CO)nn1 ZINC000289842167 288789007 /nfs/dbraw/zinc/78/90/07/288789007.db2.gz NGWISZNVRCRFQG-UHFFFAOYSA-N 1 0 325.756 1.512 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000291734985 289165435 /nfs/dbraw/zinc/16/54/35/289165435.db2.gz AEHGEPIVERVJAV-UHFFFAOYSA-N 1 0 336.436 1.859 20 5 EDBDRO C[N@@H+]1CC[C@]2(CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292166177 289279030 /nfs/dbraw/zinc/27/90/30/289279030.db2.gz PAHOXYHWVKIIAL-YOEHRIQHSA-N 1 0 335.404 1.362 20 5 EDBDRO [NH3+]C1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCCCC1 ZINC000269101028 295208398 /nfs/dbraw/zinc/20/83/98/295208398.db2.gz BSJJWQWJGGGKMR-UHFFFAOYSA-N 1 0 335.360 1.757 20 5 EDBDRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000262368676 295240110 /nfs/dbraw/zinc/24/01/10/295240110.db2.gz XHIDPJWZKWGNII-SNVBAGLBSA-N 1 0 331.369 1.626 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000419272493 304585287 /nfs/dbraw/zinc/58/52/87/304585287.db2.gz PTZGWVOSXLHBRJ-QWHCGFSZSA-N 1 0 348.403 1.196 20 5 EDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000272563558 298272435 /nfs/dbraw/zinc/27/24/35/298272435.db2.gz SLHUGCQPPZOPML-GFCCVEGCSA-N 1 0 341.433 1.946 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000420470024 304762478 /nfs/dbraw/zinc/76/24/78/304762478.db2.gz PYBHRPNAOXEVEP-NWDGAFQWSA-N 1 0 327.406 1.699 20 5 EDBDRO C[NH2+]CCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000420470656 304762558 /nfs/dbraw/zinc/76/25/58/304762558.db2.gz NFFNCDXRXWACBH-UHFFFAOYSA-N 1 0 338.389 1.373 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000114210872 302045691 /nfs/dbraw/zinc/04/56/91/302045691.db2.gz NYQUOUZGYUWZID-GFCCVEGCSA-N 1 0 327.406 1.475 20 5 EDBDRO Cc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000377730642 447323737 /nfs/dbraw/zinc/32/37/37/447323737.db2.gz ZTAJDPAVZDVBKW-UKPHBRMFSA-N 1 0 333.388 1.819 20 5 EDBDRO CCc1n[nH]c(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000293666473 303000582 /nfs/dbraw/zinc/00/05/82/303000582.db2.gz JVNNMCXOSCQQRI-LLVKDONJSA-N 1 0 335.408 1.827 20 5 EDBDRO CC1(C)OCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000293744570 303012941 /nfs/dbraw/zinc/01/29/41/303012941.db2.gz NUHKCLMSSRVWCA-CYBMUJFWSA-N 1 0 343.405 1.030 20 5 EDBDRO Cc1c(CC(=O)Nc2ccnn2CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000294109807 303064045 /nfs/dbraw/zinc/06/40/45/303064045.db2.gz OXNOFVJHLBQOGV-UHFFFAOYSA-N 1 0 331.376 1.843 20 5 EDBDRO C[NH+](C)CCn1nccc1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000294146434 303069159 /nfs/dbraw/zinc/06/91/59/303069159.db2.gz RCMZGYJYORKVFJ-UHFFFAOYSA-N 1 0 336.327 1.327 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCN(CCCO)C1 ZINC000294688338 303136330 /nfs/dbraw/zinc/13/63/30/303136330.db2.gz BPRFZMAWJQLVFY-HNNXBMFYSA-N 1 0 337.420 1.930 20 5 EDBDRO CCn1cc([C@@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000295916785 303283164 /nfs/dbraw/zinc/28/31/64/303283164.db2.gz FCUAONLOQKJCDD-DOMZBBRYSA-N 1 0 334.376 1.902 20 5 EDBDRO C[NH+](C)C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000297392160 303393589 /nfs/dbraw/zinc/39/35/89/303393589.db2.gz FCLAMIUMFARFNW-GFCCVEGCSA-N 1 0 327.406 1.529 20 5 EDBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000299152470 303588858 /nfs/dbraw/zinc/58/88/58/303588858.db2.gz MVKPLPSGWSOSMM-UTUOFQBUSA-N 1 0 335.408 1.867 20 5 EDBDRO Cc1n[nH]c(C(=O)NCc2ccccc2OCC[NH+](C)C)c1[N+](=O)[O-] ZINC000299594438 303634034 /nfs/dbraw/zinc/63/40/34/303634034.db2.gz RCDZUFIBDWSCGH-UHFFFAOYSA-N 1 0 347.375 1.497 20 5 EDBDRO Cc1cc(NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000302571481 303726607 /nfs/dbraw/zinc/72/66/07/303726607.db2.gz PPTQJRNKNYDKDN-UHFFFAOYSA-N 1 0 336.373 1.689 20 5 EDBDRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1[N+](=O)[O-] ZINC000360021658 303827523 /nfs/dbraw/zinc/82/75/23/303827523.db2.gz NWVFHHWFTGYWOA-GUYCJALGSA-N 1 0 346.387 1.713 20 5 EDBDRO COc1ccc(OCC[NH2+][C@@H](CO)[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000411994238 303947995 /nfs/dbraw/zinc/94/79/95/303947995.db2.gz NEKHWEBPGGTKBY-JSGCOSHPSA-N 1 0 340.376 1.359 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000331841923 304809518 /nfs/dbraw/zinc/80/95/18/304809518.db2.gz BSQIFLACOFKRJX-OLZOCXBDSA-N 1 0 339.417 1.748 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@H]4[NH2+]CC[C@H]4C3)n2)cc1 ZINC000428036447 305004893 /nfs/dbraw/zinc/00/48/93/305004893.db2.gz HUEHKRUROFSQDE-JSGCOSHPSA-N 1 0 329.360 1.829 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000428552114 305011562 /nfs/dbraw/zinc/01/15/62/305011562.db2.gz UNQVOQSUYGDPSF-CYBMUJFWSA-N 1 0 345.359 1.147 20 5 EDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000429297789 305027904 /nfs/dbraw/zinc/02/79/04/305027904.db2.gz DJJPRVONFHGSET-AAEUAGOBSA-N 1 0 349.387 1.542 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@](C)(O)CC[NH+](C)C)c1 ZINC000429930418 305040450 /nfs/dbraw/zinc/04/04/50/305040450.db2.gz VEDFQKWZSHOGCH-HNNXBMFYSA-N 1 0 325.365 1.036 20 5 EDBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000430111492 305045793 /nfs/dbraw/zinc/04/57/93/305045793.db2.gz RLLFMIWSHWEHHX-VSKVDJIOSA-N 1 0 339.417 1.574 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@H](C[NH3+])C1 ZINC000430610701 305058861 /nfs/dbraw/zinc/05/88/61/305058861.db2.gz LKJYYLBNCBZVOI-VXGBXAGGSA-N 1 0 336.392 1.601 20 5 EDBDRO O=C(CN(C1CC1)[C@@H]1CC[NH2+]C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000435233021 305137413 /nfs/dbraw/zinc/13/74/13/305137413.db2.gz RICWFFBQQZMWFO-LLVKDONJSA-N 1 0 348.359 1.088 20 5 EDBDRO COc1ccc(NC(=O)CN(C)[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000435617892 305143481 /nfs/dbraw/zinc/14/34/81/305143481.db2.gz RAWGECKPNYWGHC-LBPRGKRZSA-N 1 0 336.392 1.616 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435629922 305144153 /nfs/dbraw/zinc/14/41/53/305144153.db2.gz VPEFNAZJFJFYDX-HNNXBMFYSA-N 1 0 344.419 1.868 20 5 EDBDRO C[N@@H+]1CCO[C@H]2CN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C[C@H]21 ZINC000436399005 305156686 /nfs/dbraw/zinc/15/66/86/305156686.db2.gz BZLKSMRLWDMJSZ-MNOVXSKESA-N 1 0 332.282 1.528 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000440437717 305206800 /nfs/dbraw/zinc/20/68/00/305206800.db2.gz BGFAGIRJSAUONL-GFCCVEGCSA-N 1 0 325.390 1.418 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000442871059 305230584 /nfs/dbraw/zinc/23/05/84/305230584.db2.gz VVUHXRCZVRXTBG-JTNHKYCSSA-N 1 0 334.376 1.569 20 5 EDBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000443222883 305237097 /nfs/dbraw/zinc/23/70/97/305237097.db2.gz YTNLUGRKLJFQKI-AWEZNQCLSA-N 1 0 341.433 1.994 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)COC1CCC([NH3+])CC1 ZINC000449099843 305306582 /nfs/dbraw/zinc/30/65/82/305306582.db2.gz PAQFBIWVOQMZCQ-UHFFFAOYSA-N 1 0 337.376 1.506 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000451339615 305340087 /nfs/dbraw/zinc/34/00/87/305340087.db2.gz ILCCVMAOGAJCSM-FPCVCCKLSA-N 1 0 338.408 1.168 20 5 EDBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000451773867 305368539 /nfs/dbraw/zinc/36/85/39/305368539.db2.gz NLBDMQYWXMYKIA-CABCVRRESA-N 1 0 349.387 1.879 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H]1COCC1(C)C ZINC000451805043 305370235 /nfs/dbraw/zinc/37/02/35/305370235.db2.gz AQAWNQNKEHATLC-YGRLFVJLSA-N 1 0 337.376 1.945 20 5 EDBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1ccc([N+](=O)[O-])cc1F ZINC000452350863 305391669 /nfs/dbraw/zinc/39/16/69/305391669.db2.gz OWZJBEMMLIXGDB-LBPRGKRZSA-N 1 0 325.340 1.311 20 5 EDBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548411930 306127358 /nfs/dbraw/zinc/12/73/58/306127358.db2.gz FUKVOYJVVDOXLG-UHFFFAOYSA-N 1 0 335.339 1.661 20 5 EDBDRO CC(C)(NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000551815193 306162642 /nfs/dbraw/zinc/16/26/42/306162642.db2.gz IWFZDAOWZLXXOU-HNNXBMFYSA-N 1 0 332.404 1.336 20 5 EDBDRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000415423184 447422183 /nfs/dbraw/zinc/42/21/83/447422183.db2.gz GDVFGJONIKPSDP-CQSZACIVSA-N 1 0 334.376 1.557 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000046035188 441071358 /nfs/dbraw/zinc/07/13/58/441071358.db2.gz JTPSMUDVCFREJI-LBPRGKRZSA-N 1 0 341.433 1.913 20 5 EDBDRO Cc1nn(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000007391557 441050013 /nfs/dbraw/zinc/05/00/13/441050013.db2.gz NTLYSDVJOPDDLD-HNNXBMFYSA-N 1 0 345.403 1.827 20 5 EDBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000080611184 441184079 /nfs/dbraw/zinc/18/40/79/441184079.db2.gz ORGFUMKQBWVHOY-LLVKDONJSA-N 1 0 326.372 1.790 20 5 EDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000072577474 441238813 /nfs/dbraw/zinc/23/88/13/441238813.db2.gz XERSMNHAKAAGRR-QWHCGFSZSA-N 1 0 341.433 1.917 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000059389276 441229160 /nfs/dbraw/zinc/22/91/60/441229160.db2.gz YDNMLZMDHDTDKR-LBPRGKRZSA-N 1 0 337.380 1.941 20 5 EDBDRO Cc1cc(C)n(CC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000072665200 441247744 /nfs/dbraw/zinc/24/77/44/441247744.db2.gz NTZUUUKZYNTIFW-AWEZNQCLSA-N 1 0 330.392 1.990 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[NH+](CC2CC2)CC1 ZINC000063648225 441340505 /nfs/dbraw/zinc/34/05/05/441340505.db2.gz WZDKYBQWYRQWFD-UHFFFAOYSA-N 1 0 337.351 1.667 20 5 EDBDRO C[NH+](C)C1(CNC(=O)COc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000073130931 441296978 /nfs/dbraw/zinc/29/69/78/441296978.db2.gz LGSTVDKFMCFSTN-UHFFFAOYSA-N 1 0 337.376 1.201 20 5 EDBDRO COCC[N@@H+]1CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000081723385 441305178 /nfs/dbraw/zinc/30/51/78/441305178.db2.gz FODFRGONTQHVEW-UHFFFAOYSA-N 1 0 336.392 1.280 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000106542545 441353746 /nfs/dbraw/zinc/35/37/46/441353746.db2.gz NIXJKPOUVXNOAP-CQSZACIVSA-N 1 0 349.435 1.072 20 5 EDBDRO CC(=O)NCC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052849032 441480674 /nfs/dbraw/zinc/48/06/74/441480674.db2.gz MLUMWRLTASFATL-UHFFFAOYSA-N 1 0 348.403 1.772 20 5 EDBDRO CC1CC[NH+](CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000052873311 441484654 /nfs/dbraw/zinc/48/46/54/441484654.db2.gz YKHSYNVKCVAHDE-UHFFFAOYSA-N 1 0 346.431 1.975 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087301859 441485641 /nfs/dbraw/zinc/48/56/41/441485641.db2.gz AMQQEFXNUGBJJN-INIZCTEOSA-N 1 0 335.404 1.754 20 5 EDBDRO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000108406169 441451247 /nfs/dbraw/zinc/45/12/47/441451247.db2.gz QWZSUTGMTHPJQB-LLVKDONJSA-N 1 0 343.405 1.224 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108406699 441451934 /nfs/dbraw/zinc/45/19/34/441451934.db2.gz OBWWTDYRWOYFBH-GFCCVEGCSA-N 1 0 341.433 1.777 20 5 EDBDRO C[NH+](C)[C@H]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000109805464 441507857 /nfs/dbraw/zinc/50/78/57/441507857.db2.gz DHWLWIJLDHJWEP-JKSUJKDBSA-N 1 0 332.404 1.726 20 5 EDBDRO COC(=O)[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000114063257 441633239 /nfs/dbraw/zinc/63/32/39/441633239.db2.gz VCZJNQFQWCNDCU-PWSUYJOCSA-N 1 0 337.376 1.971 20 5 EDBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000090796542 441643227 /nfs/dbraw/zinc/64/32/27/441643227.db2.gz RFEUWARJNTVFTI-QWHCGFSZSA-N 1 0 341.433 1.835 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000173337109 441717689 /nfs/dbraw/zinc/71/76/89/441717689.db2.gz NOYAVMHVFNAYQM-NWDGAFQWSA-N 1 0 327.406 1.699 20 5 EDBDRO COc1ccc(CC(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000067903158 441694929 /nfs/dbraw/zinc/69/49/29/441694929.db2.gz VLHQSFJYFNNTBE-UHFFFAOYSA-N 1 0 333.388 1.889 20 5 EDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000173486065 441765586 /nfs/dbraw/zinc/76/55/86/441765586.db2.gz BKPUWFKZGLNPSJ-AWEZNQCLSA-N 1 0 334.420 1.831 20 5 EDBDRO C[C@H](CCNC(=O)Cn1ccc([N+](=O)[O-])n1)[N@H+](C)Cc1ccccc1 ZINC000173596646 441801018 /nfs/dbraw/zinc/80/10/18/441801018.db2.gz SUEMXZWOAMCJFW-CQSZACIVSA-N 1 0 345.403 1.818 20 5 EDBDRO O=C(CN1CCC[C@H](N2CCNC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000138976243 441801610 /nfs/dbraw/zinc/80/16/10/441801610.db2.gz FGDHDWIXQOLGAX-LBPRGKRZSA-N 1 0 347.375 1.023 20 5 EDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000092622407 441814488 /nfs/dbraw/zinc/81/44/88/441814488.db2.gz IVLURJSXNQCJSF-UHFFFAOYSA-N 1 0 333.436 1.762 20 5 EDBDRO Cn1cc(CCC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000118866985 441908743 /nfs/dbraw/zinc/90/87/43/441908743.db2.gz FKMDUZQVBPKSEE-CQSZACIVSA-N 1 0 330.392 1.842 20 5 EDBDRO COC(=O)c1cc(C(=O)NCCCCn2ccnc2)cc([N+](=O)[O-])c1 ZINC000145966738 441894391 /nfs/dbraw/zinc/89/43/91/441894391.db2.gz AUBAULJEGKRXTJ-UHFFFAOYSA-N 1 0 346.343 1.788 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000146592199 441897204 /nfs/dbraw/zinc/89/72/04/441897204.db2.gz MVABWAJQCIMKHM-GFCCVEGCSA-N 1 0 343.380 1.593 20 5 EDBDRO CC(C)OC(=O)C[C@@H](NC(=O)[C@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000150779732 441949239 /nfs/dbraw/zinc/94/92/39/441949239.db2.gz XXPYFVKKMKXLBL-GXTWGEPZSA-N 1 0 349.387 1.703 20 5 EDBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151365600 442049108 /nfs/dbraw/zinc/04/91/08/442049108.db2.gz RTHKGTPQSPZYAZ-CYBMUJFWSA-N 1 0 338.412 1.068 20 5 EDBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](CCO)C(C)C)c([N+](=O)[O-])c1 ZINC000162042357 442058523 /nfs/dbraw/zinc/05/85/23/442058523.db2.gz RRFDVXLLOQTYHU-DGCLKSJQSA-N 1 0 339.392 1.927 20 5 EDBDRO O=[N+]([O-])c1ccc(OCCN2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000175484886 442072202 /nfs/dbraw/zinc/07/22/02/442072202.db2.gz VYEGBUCXIAZUJO-UHFFFAOYSA-N 1 0 335.404 1.770 20 5 EDBDRO [NH3+]CCCOC1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000162194175 442072627 /nfs/dbraw/zinc/07/26/27/442072627.db2.gz WEMNTDMXWJJHCP-UHFFFAOYSA-N 1 0 337.376 1.330 20 5 EDBDRO COC1CC[NH+](CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000079684217 442076312 /nfs/dbraw/zinc/07/63/12/442076312.db2.gz NCYGNAMCRBSTCJ-UHFFFAOYSA-N 1 0 346.387 1.917 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000120527685 442089396 /nfs/dbraw/zinc/08/93/96/442089396.db2.gz OZAPJLOPPFMYJF-DOMZBBRYSA-N 1 0 346.387 1.476 20 5 EDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NCC[NH+]2CCCCC2)c1 ZINC000151805389 442122532 /nfs/dbraw/zinc/12/25/32/442122532.db2.gz CRAZAPLJGMNFGY-UHFFFAOYSA-N 1 0 327.406 1.500 20 5 EDBDRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000127272168 442188313 /nfs/dbraw/zinc/18/83/13/442188313.db2.gz ZSZWMNFOSAWZSY-GHMZBOCLSA-N 1 0 348.359 1.054 20 5 EDBDRO CCC1(CO)CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000128159521 442249447 /nfs/dbraw/zinc/24/94/47/442249447.db2.gz JEBAVCYRXNDDFE-OAHLLOKOSA-N 1 0 338.404 1.819 20 5 EDBDRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000170863741 442278562 /nfs/dbraw/zinc/27/85/62/442278562.db2.gz SDNOXZGYGREPHJ-CQSZACIVSA-N 1 0 332.404 1.971 20 5 EDBDRO CC(C)[N@H+](C)CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000155620528 442413610 /nfs/dbraw/zinc/41/36/10/442413610.db2.gz MANNDSQHVSPKQB-UHFFFAOYSA-N 1 0 335.813 1.867 20 5 EDBDRO CN(CC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000156228558 442456638 /nfs/dbraw/zinc/45/66/38/442456638.db2.gz WZZPITZKCKLJQV-UHFFFAOYSA-N 1 0 330.182 1.991 20 5 EDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134488739 442487491 /nfs/dbraw/zinc/48/74/91/442487491.db2.gz GJGLKUQBJHAEIT-LBPRGKRZSA-N 1 0 327.356 1.821 20 5 EDBDRO C[N@H+](CCCO)C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000179757285 442497486 /nfs/dbraw/zinc/49/74/86/442497486.db2.gz RMATWVHKARUGFT-VMPITWQZSA-N 1 0 347.415 1.913 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)C1CCOCC1 ZINC000179850587 442512010 /nfs/dbraw/zinc/51/20/10/442512010.db2.gz JGWIKGLBZXAZPU-NSHDSACASA-N 1 0 337.376 1.947 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n1 ZINC000191877704 442530571 /nfs/dbraw/zinc/53/05/71/442530571.db2.gz LSOUENGFFDDGSS-CZUORRHYSA-N 1 0 343.387 1.986 20 5 EDBDRO CC[NH+]1CCN(CCCNC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000173087933 442601185 /nfs/dbraw/zinc/60/11/85/442601185.db2.gz UGTCCRWPSIETNP-UHFFFAOYSA-N 1 0 334.420 1.661 20 5 EDBDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000173264811 442635214 /nfs/dbraw/zinc/63/52/14/442635214.db2.gz KBYDANDSYKOJRK-YPMHNXCESA-N 1 0 327.406 1.698 20 5 EDBDRO CC[NH+](CC)CCCNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000192910063 442697163 /nfs/dbraw/zinc/69/71/63/442697163.db2.gz CGLYQHRDVSKMQG-UHFFFAOYSA-N 1 0 344.437 1.647 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181493985 442699853 /nfs/dbraw/zinc/69/98/53/442699853.db2.gz KVCNZDIZKFDVHT-TZMCWYRMSA-N 1 0 349.435 1.869 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181494022 442699997 /nfs/dbraw/zinc/69/99/97/442699997.db2.gz KVCNZDIZKFDVHT-OCCSQVGLSA-N 1 0 349.435 1.869 20 5 EDBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000192942698 442700663 /nfs/dbraw/zinc/70/06/63/442700663.db2.gz WKQUEJAPRSDANQ-UHFFFAOYSA-N 1 0 329.422 1.866 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CCOCC3)CC2)c2nonc21 ZINC000265480126 442789251 /nfs/dbraw/zinc/78/92/51/442789251.db2.gz GZRYFTHEFBMCAH-UHFFFAOYSA-N 1 0 347.375 1.680 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188608092 442769389 /nfs/dbraw/zinc/76/93/89/442769389.db2.gz IHJVJFMWTDXSGT-ZDUSSCGKSA-N 1 0 335.404 1.820 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000268278853 442929021 /nfs/dbraw/zinc/92/90/21/442929021.db2.gz VDRAJCVMNQGBBR-FZMZJTMJSA-N 1 0 341.433 1.728 20 5 EDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000189385197 442936280 /nfs/dbraw/zinc/93/62/80/442936280.db2.gz DUPRHAKRNJPZGQ-CQSZACIVSA-N 1 0 337.420 1.880 20 5 EDBDRO COc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000265940852 442977057 /nfs/dbraw/zinc/97/70/57/442977057.db2.gz JEDUDDQLRGGGGA-DGCLKSJQSA-N 1 0 349.387 1.921 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000195337584 443011909 /nfs/dbraw/zinc/01/19/09/443011909.db2.gz DTHWUDPUNXQDPP-CYBMUJFWSA-N 1 0 325.413 1.888 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000195420863 443016822 /nfs/dbraw/zinc/01/68/22/443016822.db2.gz XWKVZISUNNAOAZ-UHFFFAOYSA-N 1 0 325.365 1.302 20 5 EDBDRO Cc1cc(F)c(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000295985019 318656393 /nfs/dbraw/zinc/65/63/93/318656393.db2.gz KKWTZGUZICWHKI-UHFFFAOYSA-N 1 0 340.355 1.437 20 5 EDBDRO CC1(C)[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000296326812 318685915 /nfs/dbraw/zinc/68/59/15/318685915.db2.gz QNYPCDHXIZKAPU-YXAMBPQSSA-N 1 0 336.388 1.738 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000184845454 443086015 /nfs/dbraw/zinc/08/60/15/443086015.db2.gz SDQDRRBTCUPVRB-HIFRSBDPSA-N 1 0 348.403 1.866 20 5 EDBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000266276203 443082842 /nfs/dbraw/zinc/08/28/42/443082842.db2.gz HVNZMDLZYFQNQH-LLVKDONJSA-N 1 0 345.396 1.839 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C[NH3+])CC(C)C)c1C ZINC000236674214 443143281 /nfs/dbraw/zinc/14/32/81/443143281.db2.gz ROUYCMGDAYGGSI-LBPRGKRZSA-N 1 0 329.422 1.863 20 5 EDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000266415583 443121070 /nfs/dbraw/zinc/12/10/70/443121070.db2.gz RBXDDBBAALFKEB-ZDUSSCGKSA-N 1 0 349.391 1.209 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1C ZINC000261690419 443164556 /nfs/dbraw/zinc/16/45/56/443164556.db2.gz JAMWZPZWJAFBAS-STQMWFEESA-N 1 0 341.433 1.960 20 5 EDBDRO CCN(CCC[NH+](C)C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000190855268 443197214 /nfs/dbraw/zinc/19/72/14/443197214.db2.gz ZZGBFRHLZXZGDY-UHFFFAOYSA-N 1 0 329.422 1.698 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000299408060 318900489 /nfs/dbraw/zinc/90/04/89/318900489.db2.gz PNWPWZWRHMMNLE-UHFFFAOYSA-N 1 0 337.424 1.871 20 5 EDBDRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000190668895 443159955 /nfs/dbraw/zinc/15/99/55/443159955.db2.gz PCUINZDTFXMTCL-LBPRGKRZSA-N 1 0 341.433 1.835 20 5 EDBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1cccc(O)c1 ZINC000245430993 443227058 /nfs/dbraw/zinc/22/70/58/443227058.db2.gz NVABUKAZLDQLGW-WBMJQRKESA-N 1 0 334.376 1.941 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000190862168 443197981 /nfs/dbraw/zinc/19/79/81/443197981.db2.gz JDFCGFHMWDVUHV-NEPJUHHUSA-N 1 0 337.376 1.492 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000266667469 443202230 /nfs/dbraw/zinc/20/22/30/443202230.db2.gz MCTLNJZHXQRTIG-CYBMUJFWSA-N 1 0 332.404 1.921 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000415853016 319378108 /nfs/dbraw/zinc/37/81/08/319378108.db2.gz SGRNNLXMMNBTBN-ZYHUDNBSSA-N 1 0 334.376 1.285 20 5 EDBDRO Cc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000269366204 443294977 /nfs/dbraw/zinc/29/49/77/443294977.db2.gz MABDQYKOVPHCCJ-OAHLLOKOSA-N 1 0 335.404 1.870 20 5 EDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269278223 443264594 /nfs/dbraw/zinc/26/45/94/443264594.db2.gz POKHJYBWPIIYNP-UKRRQHHQSA-N 1 0 348.403 1.348 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000266861249 443270530 /nfs/dbraw/zinc/27/05/30/443270530.db2.gz ZBLXADFKYUUXTN-OAHLLOKOSA-N 1 0 330.388 1.793 20 5 EDBDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269501792 443328531 /nfs/dbraw/zinc/32/85/31/443328531.db2.gz BFCBNUNLKZHAAZ-AWEZNQCLSA-N 1 0 347.371 1.918 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000420449684 319621100 /nfs/dbraw/zinc/62/11/00/319621100.db2.gz SWOOMNAPPVLXJV-GFCCVEGCSA-N 1 0 327.406 1.714 20 5 EDBDRO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCO1 ZINC000278765664 443430333 /nfs/dbraw/zinc/43/03/33/443430333.db2.gz XSCZJKSJYJZHRS-CABCVRRESA-N 1 0 338.360 1.745 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000267276553 443402286 /nfs/dbraw/zinc/40/22/86/443402286.db2.gz NXGIVWYOTUWJOF-QWRGUYRKSA-N 1 0 342.421 1.527 20 5 EDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000264938439 443484073 /nfs/dbraw/zinc/48/40/73/443484073.db2.gz VBJPBDJRCQWLGG-NSHDSACASA-N 1 0 332.364 1.246 20 5 EDBDRO CNC(=O)CN1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000272856364 443469046 /nfs/dbraw/zinc/46/90/46/443469046.db2.gz PQHRKFCDCYOKTO-UHFFFAOYSA-N 1 0 343.387 1.319 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000430564555 319934445 /nfs/dbraw/zinc/93/44/45/319934445.db2.gz LZBLDDCVQZGZFQ-BXUZGUMPSA-N 1 0 336.392 1.601 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NCC[N@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000279910807 443639860 /nfs/dbraw/zinc/63/98/60/443639860.db2.gz FMRIJQMVNCIMSO-UHFFFAOYSA-N 1 0 346.387 1.011 20 5 EDBDRO C[C@H](O)C[N@H+](C)C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000434958595 320008294 /nfs/dbraw/zinc/00/82/94/320008294.db2.gz NZXLLVFZVVCSOD-JTQLQIEISA-N 1 0 328.800 1.925 20 5 EDBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000440075514 320061302 /nfs/dbraw/zinc/06/13/02/320061302.db2.gz HGRWSCPIYSULHK-LBPRGKRZSA-N 1 0 329.422 1.912 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(CO)CCCC1 ZINC000441050048 320086884 /nfs/dbraw/zinc/08/68/84/320086884.db2.gz KMVBRQWHQLIFEC-UHFFFAOYSA-N 1 0 337.376 1.827 20 5 EDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000449216712 320178767 /nfs/dbraw/zinc/17/87/67/320178767.db2.gz UTBZXORSFVFQAN-TZMCWYRMSA-N 1 0 341.433 1.539 20 5 EDBDRO COc1cc(C(=O)N[C@@H](CC[NH3+])C(F)F)cc([N+](=O)[O-])c1OC ZINC000449623445 320195670 /nfs/dbraw/zinc/19/56/70/320195670.db2.gz LQOYOJXYCDTDRM-QMMMGPOBSA-N 1 0 333.291 1.324 20 5 EDBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@@H](C)C1 ZINC000452121576 320243158 /nfs/dbraw/zinc/24/31/58/320243158.db2.gz KNHKYAQQTMJNED-WDMOLILDSA-N 1 0 334.376 1.498 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000286253837 443678005 /nfs/dbraw/zinc/67/80/05/443678005.db2.gz VHYIXNWICXISHV-CJNGLKHVSA-N 1 0 340.383 1.992 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000281021311 443798003 /nfs/dbraw/zinc/79/80/03/443798003.db2.gz PPUXOVDOFITMBI-CYBMUJFWSA-N 1 0 335.408 1.855 20 5 EDBDRO Cc1c(C(=O)NC[C@@H](C)[NH+](C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000298346854 443751076 /nfs/dbraw/zinc/75/10/76/443751076.db2.gz KLJMGFWWKXDABA-SNVBAGLBSA-N 1 0 332.364 1.164 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000298563882 443800611 /nfs/dbraw/zinc/80/06/11/443800611.db2.gz JTPQJMOIBDVLCO-LBPRGKRZSA-N 1 0 337.376 1.180 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000298468204 443776626 /nfs/dbraw/zinc/77/66/26/443776626.db2.gz ADSHWCUMPHKLEB-CZUORRHYSA-N 1 0 336.388 1.835 20 5 EDBDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000281089097 443814800 /nfs/dbraw/zinc/81/48/00/443814800.db2.gz CXTCRIWZBPTQMQ-AWEZNQCLSA-N 1 0 341.433 1.841 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000281121873 443825358 /nfs/dbraw/zinc/82/53/58/443825358.db2.gz WVTRVBQHFGMOFF-CQSZACIVSA-N 1 0 335.408 1.705 20 5 EDBDRO O=C(CN1CCC[C@H](CO)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000298679794 443836115 /nfs/dbraw/zinc/83/61/15/443836115.db2.gz UFMXLIPXUQAHOJ-JTQLQIEISA-N 1 0 327.768 1.891 20 5 EDBDRO CCOc1cc(CN2CC[NH+]([C@H](CC)CO)CC2)ccc1[N+](=O)[O-] ZINC000276878541 443862381 /nfs/dbraw/zinc/86/23/81/443862381.db2.gz IMJXFEUQSFZOFY-OAHLLOKOSA-N 1 0 337.420 1.882 20 5 EDBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)c2)CC1 ZINC000285137215 443868954 /nfs/dbraw/zinc/86/89/54/443868954.db2.gz QNORWUQHXHZTOW-UHFFFAOYSA-N 1 0 344.375 1.318 20 5 EDBDRO C[C@@H]1[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000288428341 443877723 /nfs/dbraw/zinc/87/77/23/443877723.db2.gz XTVPWSMCVOJHKM-CZUORRHYSA-N 1 0 343.387 1.571 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](CO)CC1 ZINC000293071600 443918076 /nfs/dbraw/zinc/91/80/76/443918076.db2.gz IZDBJSSHUDHPOJ-GFCCVEGCSA-N 1 0 337.376 1.636 20 5 EDBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277314559 443961821 /nfs/dbraw/zinc/96/18/21/443961821.db2.gz DAMIBKJPKAQFLZ-ZDUSSCGKSA-N 1 0 336.396 1.107 20 5 EDBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285379701 443962131 /nfs/dbraw/zinc/96/21/31/443962131.db2.gz CSCGHQIFEIQLDG-ZDUSSCGKSA-N 1 0 329.360 1.712 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc([N+](=O)[O-])c1OC ZINC000293254325 443964425 /nfs/dbraw/zinc/96/44/25/443964425.db2.gz FVZGPILGRNSRKR-ZYHUDNBSSA-N 1 0 335.360 1.436 20 5 EDBDRO CN(C)CC[N@H+](C)CCCN(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000288816606 443990562 /nfs/dbraw/zinc/99/05/62/443990562.db2.gz HASKSQAILTWVEA-UHFFFAOYSA-N 1 0 339.396 1.823 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000299234275 443990688 /nfs/dbraw/zinc/99/06/88/443990688.db2.gz JPGDHHMDCAZVFB-AAEUAGOBSA-N 1 0 346.387 1.583 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000281973867 444052468 /nfs/dbraw/zinc/05/24/68/444052468.db2.gz OBTFEXNOLLXVTD-STQMWFEESA-N 1 0 348.403 1.301 20 5 EDBDRO C[C@@H]1[C@@H](C)C[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000293431458 444016067 /nfs/dbraw/zinc/01/60/67/444016067.db2.gz NXJCVRFDNDBICE-UONOGXRCSA-N 1 0 332.404 1.584 20 5 EDBDRO CN(CCC[NH+]1CCCC1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000281840490 444020266 /nfs/dbraw/zinc/02/02/66/444020266.db2.gz LLOCGIBNBHNJDN-UHFFFAOYSA-N 1 0 342.421 1.164 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000285680816 444070740 /nfs/dbraw/zinc/07/07/40/444070740.db2.gz HRXYDBCXIMECSV-KGLIPLIRSA-N 1 0 339.779 1.793 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000299538998 444073645 /nfs/dbraw/zinc/07/36/45/444073645.db2.gz UBEDWAMZBXRVSM-CHWSQXEVSA-N 1 0 337.424 1.726 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000565124481 321170825 /nfs/dbraw/zinc/17/08/25/321170825.db2.gz XMSXYVOGXDXMBA-UHFFFAOYSA-N 1 0 348.403 1.107 20 5 EDBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000565299520 321180370 /nfs/dbraw/zinc/18/03/70/321180370.db2.gz IOCOIBWFXNCVTD-OAHLLOKOSA-N 1 0 336.367 1.859 20 5 EDBDRO CC(C)N(C)C[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566005703 321210350 /nfs/dbraw/zinc/21/03/50/321210350.db2.gz BNCWIOSQLOTGOT-DZGCQCFKSA-N 1 0 325.409 1.653 20 5 EDBDRO CCc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000566164584 321220185 /nfs/dbraw/zinc/22/01/85/321220185.db2.gz FSNTUCDNRUFDBE-LLVKDONJSA-N 1 0 329.422 1.633 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289303836 444102391 /nfs/dbraw/zinc/10/23/91/444102391.db2.gz SJZSWMHOMRIXBR-GFCCVEGCSA-N 1 0 338.795 1.368 20 5 EDBDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000285880776 444139393 /nfs/dbraw/zinc/13/93/93/444139393.db2.gz JKTYCDRPGCGLKX-GDBMZVCRSA-N 1 0 335.404 1.769 20 5 EDBDRO CCc1nn(C)c(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000301361752 444167041 /nfs/dbraw/zinc/16/70/41/444167041.db2.gz OINYLQVPZRLAIJ-CQSZACIVSA-N 1 0 338.456 1.575 20 5 EDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000285982901 444169115 /nfs/dbraw/zinc/16/91/15/444169115.db2.gz HXDYLMIKYCEEGH-HFAKWTLXSA-N 1 0 344.375 1.292 20 5 EDBDRO [NH3+]CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C(F)(F)F ZINC000575748585 321525689 /nfs/dbraw/zinc/52/56/89/321525689.db2.gz FZWCQFMPSFBXGU-SNVBAGLBSA-N 1 0 349.265 1.376 20 5 EDBDRO Nc1nc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000301735487 444188499 /nfs/dbraw/zinc/18/84/99/444188499.db2.gz HDXCLBYYEAZEKG-LBPRGKRZSA-N 1 0 336.396 1.048 20 5 EDBDRO COc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000289672169 444189092 /nfs/dbraw/zinc/18/90/92/444189092.db2.gz FYTODABWIPQUFN-UKRRQHHQSA-N 1 0 335.404 1.898 20 5 EDBDRO Cc1ccc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000301800418 444190845 /nfs/dbraw/zinc/19/08/45/444190845.db2.gz BWDOSMVVODGIDF-HNNXBMFYSA-N 1 0 332.404 1.822 20 5 EDBDRO Cc1ccnc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000301827239 444192502 /nfs/dbraw/zinc/19/25/02/444192502.db2.gz PNIHFXNZARERPK-ZDUSSCGKSA-N 1 0 333.392 1.217 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)nn21 ZINC000301891231 444195341 /nfs/dbraw/zinc/19/53/41/444195341.db2.gz UQPGWKPJKMKABY-ZDUSSCGKSA-N 1 0 346.391 1.186 20 5 EDBDRO C[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000301885308 444195455 /nfs/dbraw/zinc/19/54/55/444195455.db2.gz LYWOBIDAZILMRD-JTQLQIEISA-N 1 0 327.406 1.893 20 5 EDBDRO C[C@H]1C[NH+](CCCCNc2ccc3ncc([N+](=O)[O-])n3n2)C[C@H](C)O1 ZINC000301973355 444199186 /nfs/dbraw/zinc/19/91/86/444199186.db2.gz UVKVQTYQQKRCAA-STQMWFEESA-N 1 0 348.407 1.939 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000577178132 321630332 /nfs/dbraw/zinc/63/03/32/321630332.db2.gz NCQJHGKGZKBWDW-UKRRQHHQSA-N 1 0 346.431 1.925 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000297635307 444311858 /nfs/dbraw/zinc/31/18/58/444311858.db2.gz XIYQCRUEBPLPKG-DGCLKSJQSA-N 1 0 341.433 1.775 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000577601126 321666222 /nfs/dbraw/zinc/66/62/22/321666222.db2.gz SQMXQGXXDGKEFC-CVEARBPZSA-N 1 0 345.399 1.744 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H](C)[C@H]([NH3+])[C@@H]1C ZINC000297426197 444285936 /nfs/dbraw/zinc/28/59/36/444285936.db2.gz SKEJWWDIVDJSFP-OXIQGZBJSA-N 1 0 348.403 1.297 20 5 EDBDRO NC(=O)c1ccnc(N2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000290487520 444286875 /nfs/dbraw/zinc/28/68/75/444286875.db2.gz IUFFLYMOEACHJQ-UHFFFAOYSA-N 1 0 333.392 1.543 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000290591816 444299066 /nfs/dbraw/zinc/29/90/66/444299066.db2.gz IQAJWMDXHQYNLV-UHFFFAOYSA-N 1 0 342.827 1.862 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[NH2+]C(C)C ZINC000314305651 444299274 /nfs/dbraw/zinc/29/92/74/444299274.db2.gz VNJMGUVOZKXCMU-UHFFFAOYSA-N 1 0 331.394 1.270 20 5 EDBDRO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000324157556 444351319 /nfs/dbraw/zinc/35/13/19/444351319.db2.gz BOQIMQZGFMALDT-KBPBESRZSA-N 1 0 332.404 1.997 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccccc2C(F)(F)F)c1 ZINC000325066997 444361661 /nfs/dbraw/zinc/36/16/61/444361661.db2.gz ZJVQYQGPXIRULB-GFCCVEGCSA-N 1 0 344.293 1.961 20 5 EDBDRO COc1c(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000331047693 444373024 /nfs/dbraw/zinc/37/30/24/444373024.db2.gz HALURTCQVBDNNP-STQMWFEESA-N 1 0 339.417 1.721 20 5 EDBDRO O=c1cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2[nH]1 ZINC000579343515 321921696 /nfs/dbraw/zinc/92/16/96/321921696.db2.gz CIWHFMRHZCIAOX-ZDUSSCGKSA-N 1 0 343.343 1.196 20 5 EDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000331393181 444470123 /nfs/dbraw/zinc/47/01/23/444470123.db2.gz KRBKOXWHHKXHIS-QWHCGFSZSA-N 1 0 335.408 1.612 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000580182417 322019462 /nfs/dbraw/zinc/01/94/62/322019462.db2.gz UCAWYFJITLWGFS-NSHDSACASA-N 1 0 333.344 1.333 20 5 EDBDRO CC[C@@H](C[C@H](C)CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000581429594 322176993 /nfs/dbraw/zinc/17/69/93/322176993.db2.gz RZSDVAZGEZGHGO-STQMWFEESA-N 1 0 344.433 1.755 20 5 EDBDRO Cc1cccc(C)c1OCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000581721090 322213392 /nfs/dbraw/zinc/21/33/92/322213392.db2.gz DZJBNDBZFQJETB-OAHLLOKOSA-N 1 0 334.376 1.438 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000611039942 450416437 /nfs/dbraw/zinc/41/64/37/450416437.db2.gz JNGLVUWPLGLHKR-AWEZNQCLSA-N 1 0 334.376 1.317 20 5 EDBDRO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000338472627 444711751 /nfs/dbraw/zinc/71/17/51/444711751.db2.gz BWQPZIBYHHAMSL-ZDUSSCGKSA-N 1 0 335.360 1.608 20 5 EDBDRO CS[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000342539596 444736489 /nfs/dbraw/zinc/73/64/89/444736489.db2.gz GEPXMJDMJFJEFZ-CABCVRRESA-N 1 0 325.434 1.951 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CCCC[NH3+] ZINC000336865039 444810667 /nfs/dbraw/zinc/81/06/67/444810667.db2.gz IQAQJQALBFXISX-JTQLQIEISA-N 1 0 331.394 1.399 20 5 EDBDRO C[NH+](C)[C@H]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000619152436 450417399 /nfs/dbraw/zinc/41/73/99/450417399.db2.gz DKTRQCQBSLEZHI-HNNXBMFYSA-N 1 0 334.420 1.567 20 5 EDBDRO Cc1c(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000338967998 444960273 /nfs/dbraw/zinc/96/02/73/444960273.db2.gz ZJFYWCOHJNAEAC-ZDUSSCGKSA-N 1 0 348.403 1.220 20 5 EDBDRO Cc1nn(CCC(=O)N2CCC(C[NH+](C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000330425372 444976401 /nfs/dbraw/zinc/97/64/01/444976401.db2.gz GCTVQEHXAZVUOR-UHFFFAOYSA-N 1 0 337.424 1.598 20 5 EDBDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000344455724 444984929 /nfs/dbraw/zinc/98/49/29/444984929.db2.gz FVPPVZXYIHWVGV-UHFFFAOYSA-N 1 0 348.403 1.267 20 5 EDBDRO C[NH+](C)CC1(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCC1 ZINC000342027482 445131159 /nfs/dbraw/zinc/13/11/59/445131159.db2.gz VGCODBAZZPLBKU-UHFFFAOYSA-N 1 0 343.387 1.995 20 5 EDBDRO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C(N)=O ZINC000346590653 445219067 /nfs/dbraw/zinc/21/90/67/445219067.db2.gz QXERHDKVWVBCDH-RISCZKNCSA-N 1 0 344.371 1.846 20 5 EDBDRO Cn1nccc1[C@@H]1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC(=O)N1C ZINC000343460137 445227049 /nfs/dbraw/zinc/22/70/49/445227049.db2.gz JYZAAQWCPHBPPM-CJNGLKHVSA-N 1 0 329.360 1.390 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000343495604 445233897 /nfs/dbraw/zinc/23/38/97/445233897.db2.gz GUUNTTJNSLHBDP-YGRLFVJLSA-N 1 0 335.360 1.594 20 5 EDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000348173828 445303883 /nfs/dbraw/zinc/30/38/83/445303883.db2.gz WRJNGAOFRAFNJZ-NWDGAFQWSA-N 1 0 334.376 1.346 20 5 EDBDRO CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000348198538 445313387 /nfs/dbraw/zinc/31/33/87/445313387.db2.gz NWFCVDCWJBXEIX-JKSUJKDBSA-N 1 0 335.404 1.503 20 5 EDBDRO CC(=O)N1CCC([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000354623588 445318937 /nfs/dbraw/zinc/31/89/37/445318937.db2.gz QECCGTFERCTVLR-LLVKDONJSA-N 1 0 334.376 1.522 20 5 EDBDRO CN1CC[NH+](CC2(C)CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 ZINC000348217131 445319206 /nfs/dbraw/zinc/31/92/06/445319206.db2.gz FDCANEBPXRGXMK-UHFFFAOYSA-N 1 0 349.435 1.413 20 5 EDBDRO COc1cc(CN(C)C2C[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000357059512 445400724 /nfs/dbraw/zinc/40/07/24/445400724.db2.gz XFXGDHRDBJPIER-UHFFFAOYSA-N 1 0 331.319 1.651 20 5 EDBDRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000362510877 445418001 /nfs/dbraw/zinc/41/80/01/445418001.db2.gz MLJQUGSTPQOUPW-GJZGRUSLSA-N 1 0 328.340 1.644 20 5 EDBDRO COc1cc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000351998589 445427827 /nfs/dbraw/zinc/42/78/27/445427827.db2.gz WLDZKYCVOSKMDH-UKRRQHHQSA-N 1 0 335.404 1.898 20 5 EDBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000352128269 445511246 /nfs/dbraw/zinc/51/12/46/445511246.db2.gz BXCSJLGVVOEQGX-QGZVFWFLSA-N 1 0 346.387 1.576 20 5 EDBDRO Cc1c(Br)c(N2C[C@@H]([NH+](C)C)[C@@H](O)C2)ncc1[N+](=O)[O-] ZINC000359980984 445512622 /nfs/dbraw/zinc/51/26/22/445512622.db2.gz JDMJXLMSTMBTCV-ZJUUUORDSA-N 1 0 345.197 1.172 20 5 EDBDRO COc1ccc(CNc2cc(-n3cccn3)nc(N)[nH+]2)cc1[N+](=O)[O-] ZINC000357266466 445516200 /nfs/dbraw/zinc/51/62/00/445516200.db2.gz HZYIYJYIHVRPOU-UHFFFAOYSA-N 1 0 341.331 1.773 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@@H]1Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000362675431 445493748 /nfs/dbraw/zinc/49/37/48/445493748.db2.gz SAZZVYGBGZLTBR-DTWKUNHWSA-N 1 0 333.435 1.954 20 5 EDBDRO C[C@@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000356047990 445589774 /nfs/dbraw/zinc/58/97/74/445589774.db2.gz OVFODMOMJZTSPL-RISCZKNCSA-N 1 0 346.387 1.603 20 5 EDBDRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000353103795 445575175 /nfs/dbraw/zinc/57/51/75/445575175.db2.gz TTXXFFMLDVZXDO-CQSZACIVSA-N 1 0 327.406 1.499 20 5 EDBDRO Cc1sc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000363103950 445679405 /nfs/dbraw/zinc/67/94/05/445679405.db2.gz LJYQTZCIFSWQSI-WDEREUQCSA-N 1 0 325.390 1.558 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363217989 445726095 /nfs/dbraw/zinc/72/60/95/445726095.db2.gz DLIFGOZCZNYIJA-KRWDZBQOSA-N 1 0 348.447 1.815 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000353735154 445730833 /nfs/dbraw/zinc/73/08/33/445730833.db2.gz HJJCATDQOUNBSB-GFCCVEGCSA-N 1 0 326.349 1.253 20 5 EDBDRO Cc1c(CN2CCO[C@@H](CN3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000363492312 445829867 /nfs/dbraw/zinc/82/98/67/445829867.db2.gz AXDOKXRERYPTLZ-KRWDZBQOSA-N 1 0 348.447 1.351 20 5 EDBDRO COc1c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000356448562 445794776 /nfs/dbraw/zinc/79/47/76/445794776.db2.gz RTAFSFMQQBRJEB-LBPRGKRZSA-N 1 0 337.376 1.180 20 5 EDBDRO CC[NH2+][C@@H](C)CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000358934589 445855996 /nfs/dbraw/zinc/85/59/96/445855996.db2.gz KIFXVCJWWBGTQV-NSHDSACASA-N 1 0 331.376 1.723 20 5 EDBDRO CCC[NH+]1CCN(C2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000369155495 445958672 /nfs/dbraw/zinc/95/86/72/445958672.db2.gz LILPXIPTZGNKMH-UHFFFAOYSA-N 1 0 333.436 1.986 20 5 EDBDRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000359129350 445969188 /nfs/dbraw/zinc/96/91/88/445969188.db2.gz QPZJTUBQTMKSJY-UHFFFAOYSA-N 1 0 338.389 1.611 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373053100 445995835 /nfs/dbraw/zinc/99/58/35/445995835.db2.gz FBDCPZBAAMFLKQ-FZMZJTMJSA-N 1 0 326.356 1.967 20 5 EDBDRO C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[N@@H+]1CCCC[C@@H]1C ZINC000354270919 446066713 /nfs/dbraw/zinc/06/67/13/446066713.db2.gz CIMHLIJNCBWSGB-QWHCGFSZSA-N 1 0 336.392 1.136 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000351499573 446105147 /nfs/dbraw/zinc/10/51/47/446105147.db2.gz DQUYWSGMUMJTFW-LBPRGKRZSA-N 1 0 338.339 1.225 20 5 EDBDRO COc1ccc(NC(=O)CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000351500766 446106043 /nfs/dbraw/zinc/10/60/43/446106043.db2.gz XJFTWELAEYGRER-CYZMBNFOSA-N 1 0 334.376 1.211 20 5 EDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000362030301 446167013 /nfs/dbraw/zinc/16/70/13/446167013.db2.gz VXVWEDFXPHPABH-ARFHVFGLSA-N 1 0 349.387 1.484 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)[C@H](CO)C1 ZINC000362075186 446195373 /nfs/dbraw/zinc/19/53/73/446195373.db2.gz HVHVGOGCFFPPBV-RYUDHWBXSA-N 1 0 337.376 1.492 20 5 EDBDRO COC(=O)[C@]12C[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@H]1COCC2 ZINC000366462130 446224055 /nfs/dbraw/zinc/22/40/55/446224055.db2.gz LJCBMYBNWVNMEN-BLLLJJGKSA-N 1 0 338.335 1.745 20 5 EDBDRO NC(=O)c1ncn([C@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000370429537 446274842 /nfs/dbraw/zinc/27/48/42/446274842.db2.gz BDRXHTQFADLCKU-AWEZNQCLSA-N 1 0 344.375 1.165 20 5 EDBDRO Cc1ccc(C(=O)N2CCC[N@H+](CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000366687581 446311045 /nfs/dbraw/zinc/31/10/45/446311045.db2.gz WWPXHSIBVINTIA-UHFFFAOYSA-N 1 0 335.404 1.822 20 5 EDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000370540846 446324533 /nfs/dbraw/zinc/32/45/33/446324533.db2.gz YAQVLAJAUCCNLO-JFDDCEBESA-N 1 0 345.399 1.978 20 5 EDBDRO COC(=O)c1cc(C)nc(NC[C@@H]2[NH2+]CCCC2(C)C)c1[N+](=O)[O-] ZINC000420248060 446430217 /nfs/dbraw/zinc/43/02/17/446430217.db2.gz VTPUAYXZZVNQAO-LBPRGKRZSA-N 1 0 336.392 2.275 20 5 EDBDRO CNC(=O)c1ccc(N2CCC([C@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000420255651 446434438 /nfs/dbraw/zinc/43/44/38/446434438.db2.gz HZUWMHVOPUMRIF-AWEZNQCLSA-N 1 0 332.404 1.780 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418081825 446435329 /nfs/dbraw/zinc/43/53/29/446435329.db2.gz HTGHDAUBCOSJSC-QWRGUYRKSA-N 1 0 344.375 1.222 20 5 EDBDRO CCOC(=O)c1cc(N2CCN([C@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000420264013 446438981 /nfs/dbraw/zinc/43/89/81/446438981.db2.gz UEQYMNWKFAYFIH-AWEZNQCLSA-N 1 0 348.403 1.255 20 5 EDBDRO C[C@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420277348 446446582 /nfs/dbraw/zinc/44/65/82/446446582.db2.gz HWDTVLSMDRUTLA-DTWKUNHWSA-N 1 0 333.435 1.481 20 5 EDBDRO COC[C@]1(CNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000417972632 446403971 /nfs/dbraw/zinc/40/39/71/446403971.db2.gz BTFDDTZTEOIYLB-MLGOLLRUSA-N 1 0 336.392 1.724 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[NH2+]CC2)cc1OC ZINC000376417966 446484851 /nfs/dbraw/zinc/48/48/51/446484851.db2.gz WAALWKIHUAAZGW-NSHDSACASA-N 1 0 337.376 1.874 20 5 EDBDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000370908547 446513737 /nfs/dbraw/zinc/51/37/37/446513737.db2.gz DSBCHJYNJXXCAN-CYBMUJFWSA-N 1 0 348.403 1.232 20 5 EDBDRO Cc1c(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000376493935 446534187 /nfs/dbraw/zinc/53/41/87/446534187.db2.gz CDLPHHKZFYUWQO-JKSUJKDBSA-N 1 0 348.403 1.966 20 5 EDBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000368041500 446620340 /nfs/dbraw/zinc/62/03/40/446620340.db2.gz KLGAHNSUJKQRDO-AWEZNQCLSA-N 1 0 333.344 1.238 20 5 EDBDRO CN(CC[NH3+])CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000420398863 446574000 /nfs/dbraw/zinc/57/40/00/446574000.db2.gz ZGHSNQAYJACTMI-UHFFFAOYSA-N 1 0 331.170 1.186 20 5 EDBDRO O=c1[nH]c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc2ccc([N+](=O)[O-])cc21 ZINC000367711719 446577288 /nfs/dbraw/zinc/57/72/88/446577288.db2.gz FCZIOIMCGUIZEZ-WDEREUQCSA-N 1 0 329.360 2.282 20 5 EDBDRO C[C@@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000420420301 446594750 /nfs/dbraw/zinc/59/47/50/446594750.db2.gz NQFRXRWAEUFKPJ-OCCSQVGLSA-N 1 0 341.433 1.445 20 5 EDBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420426065 446600515 /nfs/dbraw/zinc/60/05/15/446600515.db2.gz VQXAYKSDHSOUFE-OAHLLOKOSA-N 1 0 341.433 1.541 20 5 EDBDRO CC[NH2+][C@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000423609129 446602300 /nfs/dbraw/zinc/60/23/00/446602300.db2.gz ORKSBXPHSKODDF-GFCCVEGCSA-N 1 0 336.392 1.159 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000418589132 446605076 /nfs/dbraw/zinc/60/50/76/446605076.db2.gz SJTXFKHASPRLBX-KGLIPLIRSA-N 1 0 347.419 1.696 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000423706304 446650167 /nfs/dbraw/zinc/65/01/67/446650167.db2.gz QRNXLZDVAFZMOZ-CJNGLKHVSA-N 1 0 333.388 1.872 20 5 EDBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000420450552 446627180 /nfs/dbraw/zinc/62/71/80/446627180.db2.gz UPOSSSTUNWFLTR-AWEZNQCLSA-N 1 0 341.433 1.589 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000420453776 446629990 /nfs/dbraw/zinc/62/99/90/446629990.db2.gz XNHZKWPVQZKBQH-NSHDSACASA-N 1 0 349.359 1.487 20 5 EDBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420584323 446691118 /nfs/dbraw/zinc/69/11/18/446691118.db2.gz LYMIFPXEANCATG-GFCCVEGCSA-N 1 0 336.392 1.462 20 5 EDBDRO C[C@H](NC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000418786084 446700794 /nfs/dbraw/zinc/70/07/94/446700794.db2.gz RSHOQABESQEWQJ-HUBLWGQQSA-N 1 0 348.403 1.358 20 5 EDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@H]2[C@H]1c1ccccc1 ZINC000371301070 446755453 /nfs/dbraw/zinc/75/54/53/446755453.db2.gz DAGLCBSPNTVDEZ-XJKCOSOUSA-N 1 0 341.371 1.693 20 5 EDBDRO [NH3+]C[C@@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCC1 ZINC000423968691 446800890 /nfs/dbraw/zinc/80/08/90/446800890.db2.gz UZZSGFWZMOUFBK-CYBMUJFWSA-N 1 0 349.387 1.542 20 5 EDBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368385126 446828362 /nfs/dbraw/zinc/82/83/62/446828362.db2.gz LVBBIGIQBISDSR-GXFFZTMASA-N 1 0 339.779 1.837 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371359115 446803132 /nfs/dbraw/zinc/80/31/32/446803132.db2.gz GXCBCEYLOZNMGF-HOCLYGCPSA-N 1 0 346.431 1.693 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420769277 446807251 /nfs/dbraw/zinc/80/72/51/446807251.db2.gz PCCAQEIJMVKNFJ-ZDUSSCGKSA-N 1 0 341.433 1.926 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000371542460 446924511 /nfs/dbraw/zinc/92/45/11/446924511.db2.gz KSPWXXRYXURZKV-GHMZBOCLSA-N 1 0 347.400 1.956 20 5 EDBDRO CNC(=O)[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000420970887 446941895 /nfs/dbraw/zinc/94/18/95/446941895.db2.gz HGBQAUMVKPPHGM-CYBMUJFWSA-N 1 0 344.371 1.860 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@]12CCOC2 ZINC000421026743 446996315 /nfs/dbraw/zinc/99/63/15/446996315.db2.gz STROIBIQUIYAMM-MRXNPFEDSA-N 1 0 333.344 1.758 20 5 EDBDRO C[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000443451353 447053750 /nfs/dbraw/zinc/05/37/50/447053750.db2.gz FYJMLANGMNRQJK-DGCLKSJQSA-N 1 0 327.406 1.402 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425218571 447069300 /nfs/dbraw/zinc/06/93/00/447069300.db2.gz YJJRRFXUCBMEGQ-DZGCQCFKSA-N 1 0 339.417 1.451 20 5 EDBDRO C[C@H](O)C[N@H+](C)C1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000444389321 447100454 /nfs/dbraw/zinc/10/04/54/447100454.db2.gz AZEXGXQGOWQGJS-NSHDSACASA-N 1 0 336.392 1.094 20 5 EDBDRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000375818125 447077667 /nfs/dbraw/zinc/07/76/67/447077667.db2.gz VVFJSSFYTBRLSU-GJZGRUSLSA-N 1 0 332.404 1.752 20 5 EDBDRO O=C(CC[N@@H+]1CC[C@H](n2cncn2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000368882333 447176818 /nfs/dbraw/zinc/17/68/18/447176818.db2.gz NGWYPYBXSPKAOD-LBPRGKRZSA-N 1 0 348.338 1.601 20 5 EDBDRO CCc1nn(C)c(N2CCC[N@H+](CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000372591890 447167927 /nfs/dbraw/zinc/16/79/27/447167927.db2.gz HMGPWTYFUBLIQW-UHFFFAOYSA-N 1 0 325.413 1.174 20 5 EDBDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(N)c([N+](=O)[O-])c1 ZINC000369020710 447268978 /nfs/dbraw/zinc/26/89/78/447268978.db2.gz ANZDQNPNRGSWQT-VXGBXAGGSA-N 1 0 334.376 1.078 20 5 EDBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000420008970 447544196 /nfs/dbraw/zinc/54/41/96/447544196.db2.gz FBHARVYQIGISPE-KRWDZBQOSA-N 1 0 337.420 1.691 20 5 EDBDRO C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C[N@@H+]1CCO ZINC000416292117 447557852 /nfs/dbraw/zinc/55/78/52/447557852.db2.gz IJEBDINOYRSROX-NEPJUHHUSA-N 1 0 346.387 1.603 20 5 EDBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)[C@H]1CCC[NH2+]C1 ZINC000420160196 447645682 /nfs/dbraw/zinc/64/56/82/447645682.db2.gz ISHOMSJGTNKOQZ-UWVGGRQHSA-N 1 0 328.394 1.042 20 5 EDBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000420172436 447653806 /nfs/dbraw/zinc/65/38/06/447653806.db2.gz PKVMXBHYDGNKQN-CYBMUJFWSA-N 1 0 343.387 1.434 20 5 EDBDRO COC(=O)c1cc(C)nc(NC[C@H]([NH3+])c2ccccc2)c1[N+](=O)[O-] ZINC000420179072 447656966 /nfs/dbraw/zinc/65/69/66/447656966.db2.gz ALXPPFTYLCRLOM-ZDUSSCGKSA-N 1 0 330.344 2.197 20 5 EDBDRO C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000451081253 447672869 /nfs/dbraw/zinc/67/28/69/447672869.db2.gz DCZUJXSFXOOSPX-AWEZNQCLSA-N 1 0 346.431 1.974 20 5 EDBDRO CCCN(c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000420224312 447678309 /nfs/dbraw/zinc/67/83/09/447678309.db2.gz WXZSHBMLECOPGF-VIFPVBQESA-N 1 0 333.435 1.638 20 5 EDBDRO CCOC(=O)c1ccnc(N2CCC3(C2)CC[NH2+]CC3)c1[N+](=O)[O-] ZINC000420227899 447678735 /nfs/dbraw/zinc/67/87/35/447678735.db2.gz PPSVAOOUIFAVTN-UHFFFAOYSA-N 1 0 334.376 1.746 20 5 EDBDRO Cc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2ccsc2)c1[N+](=O)[O-] ZINC000458207024 447744622 /nfs/dbraw/zinc/74/46/22/447744622.db2.gz VEFVWSOZXLVYNY-UHFFFAOYSA-N 1 0 337.405 1.892 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430566629 447780720 /nfs/dbraw/zinc/78/07/20/447780720.db2.gz HGOWQMHNGLBQLV-ZDUSSCGKSA-N 1 0 334.376 1.577 20 5 EDBDRO CC(C)[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@@H+]1C ZINC000487951958 447838671 /nfs/dbraw/zinc/83/86/71/447838671.db2.gz IEBVFVAVGJSEID-SJORKVTESA-N 1 0 346.431 1.972 20 5 EDBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000530386238 447875978 /nfs/dbraw/zinc/87/59/78/447875978.db2.gz QMYULJAQSJVJOO-UHFFFAOYSA-N 1 0 344.437 1.732 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000570330969 447988208 /nfs/dbraw/zinc/98/82/08/447988208.db2.gz SZJNUDKKTDFCCY-LBPRGKRZSA-N 1 0 349.387 1.431 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccccc2OC(F)F)c1 ZINC000570584797 448033454 /nfs/dbraw/zinc/03/34/54/448033454.db2.gz XQRIUTADWRGELP-GFCCVEGCSA-N 1 0 342.302 1.543 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCC1 ZINC000526120613 448102908 /nfs/dbraw/zinc/10/29/08/448102908.db2.gz DRGJGRJBVKRUHJ-UHFFFAOYSA-N 1 0 335.360 1.580 20 5 EDBDRO O=c1c(Br)cc([N+](=O)[O-])cn1CCC1CC[NH2+]CC1 ZINC000576745238 448129939 /nfs/dbraw/zinc/12/99/39/448129939.db2.gz QHTIOYUVVRIWPW-UHFFFAOYSA-N 1 0 330.182 1.909 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000531823631 448153804 /nfs/dbraw/zinc/15/38/04/448153804.db2.gz KJKSTQQFXCUAPP-CABZTGNLSA-N 1 0 333.344 1.536 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCCO)C1CC1 ZINC000591014521 448230853 /nfs/dbraw/zinc/23/08/53/448230853.db2.gz FHRUJGMBASLWKF-UHFFFAOYSA-N 1 0 337.376 1.779 20 5 EDBDRO CC(=O)N1CCN(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000532446639 448262078 /nfs/dbraw/zinc/26/20/78/448262078.db2.gz FUSHYDMVQUUTOT-AWEZNQCLSA-N 1 0 334.420 1.718 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(O)cc2)cc1 ZINC000582644906 448298326 /nfs/dbraw/zinc/29/83/26/448298326.db2.gz PQRPFHQTIFHCHF-UHFFFAOYSA-N 1 0 336.369 1.864 20 5 EDBDRO C[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000563373703 448298534 /nfs/dbraw/zinc/29/85/34/448298534.db2.gz KSWGOXJDBOYSAS-GFCCVEGCSA-N 1 0 343.387 1.822 20 5 EDBDRO COc1ccc(NC(=O)CCN2CC[C@@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC000591449304 448368118 /nfs/dbraw/zinc/36/81/18/448368118.db2.gz UTGBDQUXGIDRMA-WFASDCNBSA-N 1 0 348.403 1.616 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591449628 448368166 /nfs/dbraw/zinc/36/81/66/448368166.db2.gz YODNQHVETWBYFF-RISCZKNCSA-N 1 0 334.376 1.226 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000577724816 448368988 /nfs/dbraw/zinc/36/89/88/448368988.db2.gz AGESTIAUCKGYDG-WFASDCNBSA-N 1 0 334.376 1.367 20 5 EDBDRO CC[N@H+](CCNC(=O)c1ccnc(N)c1[N+](=O)[O-])CCC(F)(F)F ZINC000577961867 448428870 /nfs/dbraw/zinc/42/88/70/448428870.db2.gz FOPXGVYBWKZJBE-UHFFFAOYSA-N 1 0 349.313 1.576 20 5 EDBDRO Cc1csc(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000591724780 448472729 /nfs/dbraw/zinc/47/27/29/448472729.db2.gz DODYJERDSURCFS-CYBMUJFWSA-N 1 0 337.401 1.932 20 5 EDBDRO Cc1ccc(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000517565210 448594357 /nfs/dbraw/zinc/59/43/57/448594357.db2.gz VASHEBYTCWUBTA-AWEZNQCLSA-N 1 0 333.388 1.731 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)Cc1c[nH]cn1 ZINC000567250306 448650005 /nfs/dbraw/zinc/65/00/05/448650005.db2.gz HBKDKPCAKWUNCU-UHFFFAOYSA-N 1 0 331.332 1.532 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567270478 448655457 /nfs/dbraw/zinc/65/54/57/448655457.db2.gz AINRRPZMHLQRLR-QGZVFWFLSA-N 1 0 332.404 1.917 20 5 EDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573740075 448701322 /nfs/dbraw/zinc/70/13/22/448701322.db2.gz FACHBIXHEXMECV-DGCLKSJQSA-N 1 0 334.376 1.053 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000579308490 448761586 /nfs/dbraw/zinc/76/15/86/448761586.db2.gz ZENHWOXPDTVQIL-GJZGRUSLSA-N 1 0 348.447 1.841 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592382141 448814945 /nfs/dbraw/zinc/81/49/45/448814945.db2.gz JSOVGFLBNQELTD-OCCSQVGLSA-N 1 0 327.406 1.484 20 5 EDBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000592374280 448810310 /nfs/dbraw/zinc/81/03/10/448810310.db2.gz JUEQFYKNOIGDTB-LBPRGKRZSA-N 1 0 329.422 1.953 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000592372243 448810481 /nfs/dbraw/zinc/81/04/81/448810481.db2.gz PMSQPQOHTYGAMZ-UHFFFAOYSA-N 1 0 327.406 1.530 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000592380110 448812365 /nfs/dbraw/zinc/81/23/65/448812365.db2.gz MACSYSCPSIHDHS-NEPJUHHUSA-N 1 0 327.406 1.705 20 5 EDBDRO Cc1cc(C[C@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000574071874 448785298 /nfs/dbraw/zinc/78/52/98/448785298.db2.gz NLUPWQBXIMVTPA-SMDDNHRTSA-N 1 0 334.376 1.587 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592310266 448785958 /nfs/dbraw/zinc/78/59/58/448785958.db2.gz AVQJRDPNZQOZDF-SWLSCSKDSA-N 1 0 336.392 1.362 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC[C@H]1[NH3+] ZINC000592382019 448814349 /nfs/dbraw/zinc/81/43/49/448814349.db2.gz FPRMEPMNXMHBDX-GXTWGEPZSA-N 1 0 341.433 1.960 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@H]([NH3+])[C@@H](CC)C2)cc([N+](=O)[O-])c1 ZINC000592331739 448794532 /nfs/dbraw/zinc/79/45/32/448794532.db2.gz PDQMZHHNPGABDJ-NHYWBVRUSA-N 1 0 349.387 1.971 20 5 EDBDRO CC[C@@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1[NH3+] ZINC000592332010 448795301 /nfs/dbraw/zinc/79/53/01/448795301.db2.gz QXWIXOIHJAXURY-IUODEOHRSA-N 1 0 343.387 1.980 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC(C)(C)CCC[NH3+] ZINC000592389794 448819404 /nfs/dbraw/zinc/81/94/04/448819404.db2.gz PJPLMORLVXVGKM-UHFFFAOYSA-N 1 0 331.394 1.399 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1ccc(CO)cc1 ZINC000592430391 448832608 /nfs/dbraw/zinc/83/26/08/448832608.db2.gz KZXLKQBIJVMACA-MRXNPFEDSA-N 1 0 346.383 1.659 20 5 EDBDRO CS[C@@H](CO)[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592430865 448833120 /nfs/dbraw/zinc/83/31/20/448833120.db2.gz BJVGQLSOVYIDFJ-MFKMUULPSA-N 1 0 348.446 1.071 20 5 EDBDRO C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC[C@@H]2CC[NH2+]C2)C1=O ZINC000519760600 448837364 /nfs/dbraw/zinc/83/73/64/448837364.db2.gz BBIHVCUEGZNBAJ-MEDUHNTESA-N 1 0 332.360 1.361 20 5 EDBDRO CC1(C)C[NH2+]CCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000592473775 448851361 /nfs/dbraw/zinc/85/13/61/448851361.db2.gz NSGHJSGNEZRDSJ-UHFFFAOYSA-N 1 0 334.376 1.577 20 5 EDBDRO COc1ccc(OCCN2CCO[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000592475551 448852623 /nfs/dbraw/zinc/85/26/23/448852623.db2.gz NDYSXLBSLIDARP-ABAIWWIYSA-N 1 0 325.365 1.030 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000592501903 448867748 /nfs/dbraw/zinc/86/77/48/448867748.db2.gz NNSJSPWUYNLTPT-UHFFFAOYSA-N 1 0 341.367 1.716 20 5 EDBDRO CCc1ccc(S(=O)(=O)NCC[NH+](CC)CC)cc1[N+](=O)[O-] ZINC000574449294 448875723 /nfs/dbraw/zinc/87/57/23/448875723.db2.gz XWFXCQGUUMJKKX-UHFFFAOYSA-N 1 0 329.422 1.777 20 5 EDBDRO CC(C)(C)C[C@H](O)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000568511735 448882785 /nfs/dbraw/zinc/88/27/85/448882785.db2.gz TZBHNWNQYVCESM-KBPBESRZSA-N 1 0 326.393 1.721 20 5 EDBDRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588020933 448858387 /nfs/dbraw/zinc/85/83/87/448858387.db2.gz ZYZGITIUJPTSPF-LBPRGKRZSA-N 1 0 337.424 1.107 20 5 EDBDRO CC[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@@H]1[NH3+] ZINC000592488655 448859348 /nfs/dbraw/zinc/85/93/48/448859348.db2.gz KREGSOQPJAQJJL-KCXAZCMYSA-N 1 0 332.404 1.759 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC000569223130 448983105 /nfs/dbraw/zinc/98/31/05/448983105.db2.gz RPJGTHZFZZKDPB-GYSYKLTISA-N 1 0 346.330 1.473 20 5 EDBDRO C[NH+](C)CCc1ccc(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1 ZINC000580327068 448945526 /nfs/dbraw/zinc/94/55/26/448945526.db2.gz WGPSUWFNUFQTSW-UHFFFAOYSA-N 1 0 343.387 1.606 20 5 EDBDRO CC(C)(C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+]CC1 ZINC000582358977 449073687 /nfs/dbraw/zinc/07/36/87/449073687.db2.gz FDAAKWBPMNRJAO-UHFFFAOYSA-N 1 0 340.811 1.548 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CO)C1CCC1 ZINC000595615002 449081072 /nfs/dbraw/zinc/08/10/72/449081072.db2.gz FINQCPASKXGKFB-CQSZACIVSA-N 1 0 337.376 1.683 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CCCCCC1 ZINC000548384251 449037239 /nfs/dbraw/zinc/03/72/39/449037239.db2.gz HICNMFDQCDALMU-UHFFFAOYSA-N 1 0 335.408 1.956 20 5 EDBDRO Cc1cc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000592899386 449044022 /nfs/dbraw/zinc/04/40/22/449044022.db2.gz QIFOWXIUQNZKRS-UHFFFAOYSA-N 1 0 333.388 1.840 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000589930481 449085025 /nfs/dbraw/zinc/08/50/25/449085025.db2.gz YCIPFMGRPDYPTR-JSGCOSHPSA-N 1 0 339.417 1.482 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590334571 449133353 /nfs/dbraw/zinc/13/33/53/449133353.db2.gz LJOKOIWJMRJWAM-HUUCEWRRSA-N 1 0 348.403 1.314 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]2CN(C)C[C@H]21 ZINC000590010597 449095385 /nfs/dbraw/zinc/09/53/85/449095385.db2.gz BAXMEMDWKCSUEH-CZUORRHYSA-N 1 0 332.404 1.868 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000599889466 449101311 /nfs/dbraw/zinc/10/13/11/449101311.db2.gz ORDFMMPJANWBRN-AWEZNQCLSA-N 1 0 334.376 1.298 20 5 EDBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595678626 449115368 /nfs/dbraw/zinc/11/53/68/449115368.db2.gz RPRVKEVLVQPMSK-XJKSGUPXSA-N 1 0 347.415 1.967 20 5 EDBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595680332 449116495 /nfs/dbraw/zinc/11/64/95/449116495.db2.gz ZLUPGURSDWEQEZ-XJKSGUPXSA-N 1 0 347.415 1.967 20 5 EDBDRO C[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1CCO ZINC000595701170 449124696 /nfs/dbraw/zinc/12/46/96/449124696.db2.gz QXBWHTBATKIDCX-FRFSOERESA-N 1 0 338.404 1.817 20 5 EDBDRO CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](C)C1 ZINC000597946354 449154469 /nfs/dbraw/zinc/15/44/69/449154469.db2.gz OYFPDKPGXGYXOM-SNVBAGLBSA-N 1 0 327.331 1.968 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000600034336 449155451 /nfs/dbraw/zinc/15/54/51/449155451.db2.gz GFTTVWOKKWIJGW-ZDUSSCGKSA-N 1 0 348.403 1.690 20 5 EDBDRO Cc1cc(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)ccc1[N+](=O)[O-] ZINC000593177674 449158992 /nfs/dbraw/zinc/15/89/92/449158992.db2.gz RHCVORCFRAFTDP-UHFFFAOYSA-N 1 0 349.391 1.141 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)[C@H]2C1 ZINC000590443565 449165899 /nfs/dbraw/zinc/16/58/99/449165899.db2.gz KTASRHILBUWXHM-WBMJQRKESA-N 1 0 341.371 1.557 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000593732418 449167871 /nfs/dbraw/zinc/16/78/71/449167871.db2.gz LMSDQECFNWZGCF-UHFFFAOYSA-N 1 0 327.406 1.571 20 5 EDBDRO CCN1C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000593689139 449149127 /nfs/dbraw/zinc/14/91/27/449149127.db2.gz JJWHHOQKDWUZEF-QWHCGFSZSA-N 1 0 348.403 1.770 20 5 EDBDRO COc1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000590403014 449149679 /nfs/dbraw/zinc/14/96/79/449149679.db2.gz WFTLWXTUJBDBRX-HIFRSBDPSA-N 1 0 349.387 1.539 20 5 EDBDRO CN(CCC[NH+](C)C)CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000597990231 449174581 /nfs/dbraw/zinc/17/45/81/449174581.db2.gz SKJPWBZHZLDZTN-UHFFFAOYSA-N 1 0 326.372 1.347 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000590590196 449205303 /nfs/dbraw/zinc/20/53/03/449205303.db2.gz VPCNBEKYMIDGQS-JQWIXIFHSA-N 1 0 343.405 1.317 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cc([N+](=O)[O-])c1C ZINC000590548912 449184218 /nfs/dbraw/zinc/18/42/18/449184218.db2.gz HYXRXRGZXKXZMV-UONOGXRCSA-N 1 0 349.387 1.193 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC3CC2(C[NH3+])C3)cc([N+](=O)[O-])c1 ZINC000595946045 449272080 /nfs/dbraw/zinc/27/20/80/449272080.db2.gz QHJUEXWYCAPZSR-UHFFFAOYSA-N 1 0 333.344 1.335 20 5 EDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CCNc1ccccc1[N+](=O)[O-])C2 ZINC000601976957 449257985 /nfs/dbraw/zinc/25/79/85/449257985.db2.gz RKQVVGFSNXFDEP-CALCHBBNSA-N 1 0 332.404 1.855 20 5 EDBDRO Cn1cc(C(=O)NCC2([NH3+])CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595940506 449268489 /nfs/dbraw/zinc/26/84/89/449268489.db2.gz FETYPHVQSORIGJ-UHFFFAOYSA-N 1 0 343.387 1.997 20 5 EDBDRO CC1(C)CC[NH2+][C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000595943373 449270940 /nfs/dbraw/zinc/27/09/40/449270940.db2.gz NWVWHRCEVKUHTQ-OAHLLOKOSA-N 1 0 332.404 1.632 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000593918094 449286298 /nfs/dbraw/zinc/28/62/98/449286298.db2.gz AMZXWLHRVZYZBN-NJZAAPMLSA-N 1 0 336.392 1.434 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000595992977 449301954 /nfs/dbraw/zinc/30/19/54/449301954.db2.gz ZBQDUVDECKXWES-UHFFFAOYSA-N 1 0 345.359 1.404 20 5 EDBDRO CC(C)(C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000595949641 449275380 /nfs/dbraw/zinc/27/53/80/449275380.db2.gz XVYYKMMGYQFDDD-UHFFFAOYSA-N 1 0 345.359 1.143 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000593907283 449276656 /nfs/dbraw/zinc/27/66/56/449276656.db2.gz KBNTYGITUCUBSC-WFASDCNBSA-N 1 0 343.387 1.710 20 5 EDBDRO CCOc1cc(C(=O)NCC23CC(C2)C[NH2+]3)c([N+](=O)[O-])cc1OC ZINC000595950775 449277388 /nfs/dbraw/zinc/27/73/88/449277388.db2.gz LVIIINOVYHWCGY-UHFFFAOYSA-N 1 0 335.360 1.484 20 5 EDBDRO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCCCC2)O1 ZINC000594057710 449342633 /nfs/dbraw/zinc/34/26/33/449342633.db2.gz LVBYWHWTHGORHH-UKRRQHHQSA-N 1 0 338.408 1.576 20 5 EDBDRO COc1cc(NCCN2CC[NH+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596061669 449342853 /nfs/dbraw/zinc/34/28/53/449342853.db2.gz CMMOYQMYSLCYLW-UHFFFAOYSA-N 1 0 328.800 1.916 20 5 EDBDRO COc1ccc(NC(=O)CC[N@H+](C[C@H](C)O)C2CC2)c([N+](=O)[O-])c1 ZINC000594061925 449343843 /nfs/dbraw/zinc/34/38/43/449343843.db2.gz DAJUXSZISSWZTP-NSHDSACASA-N 1 0 337.376 1.777 20 5 EDBDRO CC[NH+]1CCN(CCNc2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000596073066 449348033 /nfs/dbraw/zinc/34/80/33/449348033.db2.gz DLYHMAOAMMIWNY-UHFFFAOYSA-N 1 0 335.408 1.004 20 5 EDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)CC1 ZINC000611597674 449355671 /nfs/dbraw/zinc/35/56/71/449355671.db2.gz BBFKNFNMJAZEPC-UHFFFAOYSA-N 1 0 328.332 1.161 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000598343368 449358545 /nfs/dbraw/zinc/35/85/45/449358545.db2.gz WHFUPGLHQQTQMR-AWEZNQCLSA-N 1 0 348.403 1.315 20 5 EDBDRO CC1CC[NH+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593530187 449328265 /nfs/dbraw/zinc/32/82/65/449328265.db2.gz VRSOCSROOFFAJV-UHFFFAOYSA-N 1 0 342.421 1.390 20 5 EDBDRO CC(C)OC(=O)C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000594046377 449336389 /nfs/dbraw/zinc/33/63/89/449336389.db2.gz RENNYITVWULRLQ-CQSZACIVSA-N 1 0 339.392 1.712 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000598450650 449400972 /nfs/dbraw/zinc/40/09/72/449400972.db2.gz FBGUWYIXITYTOG-CQSZACIVSA-N 1 0 333.388 1.574 20 5 EDBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1(C)C ZINC000602170931 449402388 /nfs/dbraw/zinc/40/23/88/449402388.db2.gz KFHPSQVDBVVOSM-LSDHHAIUSA-N 1 0 349.387 1.825 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000596142865 449383838 /nfs/dbraw/zinc/38/38/38/449383838.db2.gz PTAIOIZTPVQGQQ-LBPRGKRZSA-N 1 0 342.421 1.163 20 5 EDBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000598540019 449453778 /nfs/dbraw/zinc/45/37/78/449453778.db2.gz LJFMPUMHAGHRKA-CYBMUJFWSA-N 1 0 339.367 1.917 20 5 EDBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000598540499 449455180 /nfs/dbraw/zinc/45/51/80/449455180.db2.gz OKOARASNXPXZOH-HNNXBMFYSA-N 1 0 339.367 1.917 20 5 EDBDRO CC(C)[C@@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 ZINC000598573869 449471419 /nfs/dbraw/zinc/47/14/19/449471419.db2.gz QIQLJVQBRBKIIP-INIZCTEOSA-N 1 0 343.387 1.851 20 5 EDBDRO C[C@@H](CN(C)CCC[NH+](C)C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000596363526 449483293 /nfs/dbraw/zinc/48/32/93/449483293.db2.gz IEKFWPZXBNMVRP-NSHDSACASA-N 1 0 340.453 1.988 20 5 EDBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393852 449490504 /nfs/dbraw/zinc/49/05/04/449490504.db2.gz RWHRVJMCCHBKDF-BHYGNILZSA-N 1 0 347.415 1.441 20 5 EDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000596487872 449525678 /nfs/dbraw/zinc/52/56/78/449525678.db2.gz GQTTXTHAIDSEFP-OAHLLOKOSA-N 1 0 334.376 1.658 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@H](C[NH3+])C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000594451114 449526668 /nfs/dbraw/zinc/52/66/68/449526668.db2.gz KJMCQJWWOWROIB-SECBINFHSA-N 1 0 335.238 1.001 20 5 EDBDRO Cc1ccc(C(C)(C)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)nc1 ZINC000600752853 449534563 /nfs/dbraw/zinc/53/45/63/449534563.db2.gz HNPFKHNSWAWRFP-CQSZACIVSA-N 1 0 333.392 1.423 20 5 EDBDRO Cc1ccc(CN2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000600768864 449540520 /nfs/dbraw/zinc/54/05/20/449540520.db2.gz HFQLFAXSTKGEKH-UHFFFAOYSA-N 1 0 347.419 1.046 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)nc1 ZINC000594484590 449548678 /nfs/dbraw/zinc/54/86/78/449548678.db2.gz VHYLLRPHRPWSNT-OLZOCXBDSA-N 1 0 340.405 1.285 20 5 EDBDRO Cn1[nH]c([C@@H]2CCC[NH2+]2)nc1=NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000596482947 449524064 /nfs/dbraw/zinc/52/40/64/449524064.db2.gz MZACYLTXBBKTBP-NSHDSACASA-N 1 0 331.336 1.214 20 5 EDBDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000602432205 449582485 /nfs/dbraw/zinc/58/24/85/449582485.db2.gz XLVTZFAZLMEIQG-SUMWQHHRSA-N 1 0 348.403 1.010 20 5 EDBDRO O=C1[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCN1C1CCOCC1 ZINC000594498966 449557456 /nfs/dbraw/zinc/55/74/56/449557456.db2.gz OHVPNQUPLXZQJL-CVEARBPZSA-N 1 0 345.399 1.952 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](CNc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000594592163 449586644 /nfs/dbraw/zinc/58/66/44/449586644.db2.gz NMAUNIVVFWNMIV-DTORHVGOSA-N 1 0 329.198 1.926 20 5 EDBDRO Cc1ccc(CC2C[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000594731981 449654717 /nfs/dbraw/zinc/65/47/17/449654717.db2.gz IFUPESDTHGXSRB-QGZVFWFLSA-N 1 0 330.388 1.635 20 5 EDBDRO C[N@H+](CCNS(=O)(=O)c1ncccc1[N+](=O)[O-])C1CCCCC1 ZINC000594751865 449667238 /nfs/dbraw/zinc/66/72/38/449667238.db2.gz FHBXOXQCSUGFNF-UHFFFAOYSA-N 1 0 342.421 1.533 20 5 EDBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753790 449667999 /nfs/dbraw/zinc/66/79/99/449667999.db2.gz NLJRQGZRTHUUSS-LBPRGKRZSA-N 1 0 342.421 1.533 20 5 EDBDRO CSC[C@@](C)(O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602551174 449669240 /nfs/dbraw/zinc/66/92/40/449669240.db2.gz NAPSLATXFVHIFM-HNNXBMFYSA-N 1 0 340.449 1.662 20 5 EDBDRO CCC(=O)N1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602570170 449679429 /nfs/dbraw/zinc/67/94/29/449679429.db2.gz WBNRMVQKRKZXJV-AWEZNQCLSA-N 1 0 347.419 1.559 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000598914099 449644667 /nfs/dbraw/zinc/64/46/67/449644667.db2.gz XLLKTTMCHSILJC-GFCCVEGCSA-N 1 0 334.376 1.814 20 5 EDBDRO Cn1cc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000602520047 449645089 /nfs/dbraw/zinc/64/50/89/449645089.db2.gz GLRHWCZFYZXXSI-UHFFFAOYSA-N 1 0 330.392 1.524 20 5 EDBDRO COC(=O)c1cc(C)nc(N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000601184821 449739596 /nfs/dbraw/zinc/73/95/96/449739596.db2.gz OQAPCPSPLBBMFQ-NWDGAFQWSA-N 1 0 334.376 1.473 20 5 EDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCOCC[NH+](C)C ZINC000601137304 449710490 /nfs/dbraw/zinc/71/04/90/449710490.db2.gz ANTKLVMNZXMNPH-UHFFFAOYSA-N 1 0 325.291 1.337 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000599066063 449715556 /nfs/dbraw/zinc/71/55/56/449715556.db2.gz OYLDSFKKAGNSQO-KCPJHIHWSA-N 1 0 337.376 1.441 20 5 EDBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(=O)N1CCCC1 ZINC000602646257 449725345 /nfs/dbraw/zinc/72/53/45/449725345.db2.gz BTZKPKHBECWSGR-ZDUSSCGKSA-N 1 0 347.419 1.559 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599105563 449736541 /nfs/dbraw/zinc/73/65/41/449736541.db2.gz DBMUCCVNNUJDBD-AWEZNQCLSA-N 1 0 339.417 1.720 20 5 EDBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602592510 449692194 /nfs/dbraw/zinc/69/21/94/449692194.db2.gz RQIILFOLULQOMS-PHIMTYICSA-N 1 0 340.177 1.934 20 5 EDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000602597058 449695004 /nfs/dbraw/zinc/69/50/04/449695004.db2.gz TWSDVZJPPIDYAH-WCBMZHEXSA-N 1 0 342.193 1.848 20 5 EDBDRO Cc1cc(S(=O)(=O)NCCC[NH+]2CCCC2)c([N+](=O)[O-])s1 ZINC000601292205 449803113 /nfs/dbraw/zinc/80/31/13/449803113.db2.gz LTNNCEVRXWTSEV-UHFFFAOYSA-N 1 0 333.435 1.729 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000602828817 449840204 /nfs/dbraw/zinc/84/02/04/449840204.db2.gz UZBIBFDWEWXONS-QGZVFWFLSA-N 1 0 343.431 1.958 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C1CC1 ZINC000601334194 449842384 /nfs/dbraw/zinc/84/23/84/449842384.db2.gz YQCVHWJGHUXBAP-UHFFFAOYSA-N 1 0 333.435 1.727 20 5 EDBDRO O=C(CN1CCC[C@H]2C[NH2+]CC[C@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000601335681 449844795 /nfs/dbraw/zinc/84/47/95/449844795.db2.gz WXCWWDWMBNYTPF-GOEBONIOSA-N 1 0 344.415 1.558 20 5 EDBDRO COC1CC[NH+](CCNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601291741 449802599 /nfs/dbraw/zinc/80/25/99/449802599.db2.gz MKUBFBKSZQANQN-UHFFFAOYSA-N 1 0 325.340 1.575 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000601351262 449863782 /nfs/dbraw/zinc/86/37/82/449863782.db2.gz BUUGJLFLLNIDFJ-FZMZJTMJSA-N 1 0 325.390 1.357 20 5 EDBDRO C[NH+](C)CCCS(=O)(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000601375530 449890047 /nfs/dbraw/zinc/89/00/47/449890047.db2.gz XBVSYSGJXRSUSG-UHFFFAOYSA-N 1 0 341.433 1.841 20 5 EDBDRO CCN1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])[C@@H](C)C1 ZINC000601413931 449929968 /nfs/dbraw/zinc/92/99/68/449929968.db2.gz LRBUXYKNSBLRCR-VIFPVBQESA-N 1 0 333.435 1.679 20 5 EDBDRO Cc1noc(CN2CC3(CCCC3)OC[C@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC000602909151 449913002 /nfs/dbraw/zinc/91/30/02/449913002.db2.gz ZLGZPXWIYJCOQI-CYBMUJFWSA-N 1 0 338.408 1.966 20 5 EDBDRO COc1ccc(CC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000609016220 449956686 /nfs/dbraw/zinc/95/66/86/449956686.db2.gz ISNYHSLDAUHZHP-KGLIPLIRSA-N 1 0 333.388 1.889 20 5 EDBDRO CC[C@]1(O)CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000602983385 449980441 /nfs/dbraw/zinc/98/04/41/449980441.db2.gz JHDDZLZJJQYTBC-RDJZCZTQSA-N 1 0 333.388 1.937 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000597437926 450020615 /nfs/dbraw/zinc/02/06/15/450020615.db2.gz ATBSQLFKNFPYLA-CQSZACIVSA-N 1 0 334.376 1.545 20 5 EDBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000597442877 450024357 /nfs/dbraw/zinc/02/43/57/450024357.db2.gz ZEQFYFJRAOETKC-ZDUSSCGKSA-N 1 0 348.407 1.280 20 5 EDBDRO CCCc1n[nH]c(C(=O)N[C@H]2CCC[N@H+](CCOC)C2)c1[N+](=O)[O-] ZINC000609478996 450033508 /nfs/dbraw/zinc/03/35/08/450033508.db2.gz DKOCJCHXROUHCZ-NSHDSACASA-N 1 0 339.396 1.111 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000609560677 450051362 /nfs/dbraw/zinc/05/13/62/450051362.db2.gz KCJYIGGWEDWRHZ-NSHDSACASA-N 1 0 342.421 1.384 20 5 EDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000599574888 450076607 /nfs/dbraw/zinc/07/66/07/450076607.db2.gz HARGNPOZFWRHIN-LLVKDONJSA-N 1 0 344.375 1.683 20 5 EDBDRO CNc1ccc(C(=O)N2CC[C@H](N3CCC3)[C@H](F)C2)cc1[N+](=O)[O-] ZINC000597576699 450120713 /nfs/dbraw/zinc/12/07/13/450120713.db2.gz XTEQELNYFAHQMP-OCCSQVGLSA-N 1 0 336.367 1.895 20 5 EDBDRO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000599671597 450143148 /nfs/dbraw/zinc/14/31/48/450143148.db2.gz IINDHKNDIRNZLG-JGZJWPJOSA-N 1 0 327.768 1.889 20 5 EDBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000610212372 450153780 /nfs/dbraw/zinc/15/37/80/450153780.db2.gz YQMVTPVVJFAZKH-NSHDSACASA-N 1 0 340.405 1.285 20 5 EDBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000597653163 450172935 /nfs/dbraw/zinc/17/29/35/450172935.db2.gz HLUWLICLBJKYTQ-LLVKDONJSA-N 1 0 341.433 1.749 20 5 EDBDRO COC(=O)CCN1CC[C@@H]([N@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000595485086 450176066 /nfs/dbraw/zinc/17/60/66/450176066.db2.gz RANOADCPLLGFCI-OAHLLOKOSA-N 1 0 349.387 1.233 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC(C[NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000597708895 450212528 /nfs/dbraw/zinc/21/25/28/450212528.db2.gz QQOBLAZJDGPFEQ-UHFFFAOYSA-N 1 0 335.360 1.405 20 5 EDBDRO Cc1cc(N2CC[C@@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)C2=O)n(C)n1 ZINC000610341432 450196934 /nfs/dbraw/zinc/19/69/34/450196934.db2.gz NUIJRLNURXKDTL-OAHLLOKOSA-N 1 0 343.387 1.574 20 5 EDBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599834699 450241136 /nfs/dbraw/zinc/24/11/36/450241136.db2.gz NBLROHCFZXCQJX-LLVKDONJSA-N 1 0 345.359 1.331 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000610656310 450286297 /nfs/dbraw/zinc/28/62/97/450286297.db2.gz QFZNDKIKFFOVLH-UHFFFAOYSA-N 1 0 331.376 1.628 20 5 EDBDRO COc1c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC000619424775 450471120 /nfs/dbraw/zinc/47/11/20/450471120.db2.gz YFRYXTSGTLQOFU-UHFFFAOYSA-N 1 0 342.355 1.961 20 5 EDBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000619567023 450507339 /nfs/dbraw/zinc/50/73/39/450507339.db2.gz ILCBZNZVHADVEQ-AWEZNQCLSA-N 1 0 348.403 1.267 20 5 EDBDRO O=C(NC[C@@H]1COCC[NH2+]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000232487674 486651655 /nfs/dbraw/zinc/65/16/55/486651655.db2.gz APKWIHQFEVPNCM-SNVBAGLBSA-N 1 0 344.165 1.076 20 5 EDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000368720437 491003557 /nfs/dbraw/zinc/00/35/57/491003557.db2.gz YJOFQXHQWBUGHL-CYBMUJFWSA-N 1 0 329.360 1.652 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000178004958 534337014 /nfs/dbraw/zinc/33/70/14/534337014.db2.gz IFKNFPKDWLBORM-QWHCGFSZSA-N 1 0 348.403 1.831 20 5 EDBDRO COc1ccc(CSCC(=O)N2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000188387290 524123853 /nfs/dbraw/zinc/12/38/53/524123853.db2.gz BKMUELQIHUZWHN-LLVKDONJSA-N 1 0 339.417 1.657 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000171865619 529057657 /nfs/dbraw/zinc/05/76/57/529057657.db2.gz XUGYDQCBBVDDSO-LLVKDONJSA-N 1 0 344.371 1.650 20 5 EDBDRO CC[NH+]1CCN(CCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000176487421 529146166 /nfs/dbraw/zinc/14/61/66/529146166.db2.gz SUDSOQKXOSZNIT-UHFFFAOYSA-N 1 0 340.811 1.616 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000332352283 535510200 /nfs/dbraw/zinc/51/02/00/535510200.db2.gz VRCLDROBIGTTGZ-UHFFFAOYSA-N 1 0 327.331 1.970 20 5 EDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000341696597 535573189 /nfs/dbraw/zinc/57/31/89/535573189.db2.gz JUFOUCJJSILTCB-GFCCVEGCSA-N 1 0 339.392 1.829 20 5 EDBDRO C[NH2+][C@@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000261821005 536361519 /nfs/dbraw/zinc/36/15/19/536361519.db2.gz UNHSXWIAHOEVEN-LLVKDONJSA-N 1 0 326.784 1.871 20 5 EDBDRO COc1cc(CN2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000261719887 536761018 /nfs/dbraw/zinc/76/10/18/536761018.db2.gz FQWMLYACIXQHLX-VIFPVBQESA-N 1 0 331.319 1.999 20 5 EDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000733166497 578745567 /nfs/dbraw/zinc/74/55/67/578745567.db2.gz QSVUMGPMJWNVOK-CYBMUJFWSA-N 1 0 337.376 1.489 20 5 EDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000746526010 579599521 /nfs/dbraw/zinc/59/95/21/579599521.db2.gz VTIZSESONCVQIE-CYBMUJFWSA-N 1 0 345.403 1.793 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000748843414 579703544 /nfs/dbraw/zinc/70/35/44/579703544.db2.gz BSCABEUMASAGGG-CYBMUJFWSA-N 1 0 345.403 1.791 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000749153406 579714449 /nfs/dbraw/zinc/71/44/49/579714449.db2.gz DHBGATJAVWUOAE-UHFFFAOYSA-N 1 0 335.339 1.939 20 5 EDBDRO COCCOC[C@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749962468 579745595 /nfs/dbraw/zinc/74/55/95/579745595.db2.gz WVNCGRVEQREQKR-ZDUSSCGKSA-N 1 0 349.391 1.590 20 5 EDBDRO COC[C@@](C)(CC(=O)OC)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750108848 579752276 /nfs/dbraw/zinc/75/22/76/579752276.db2.gz WVQCRNKAPCCVRB-UKRRQHHQSA-N 1 0 326.349 1.186 20 5 EDBDRO C/C(=C\C(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000752268580 579843659 /nfs/dbraw/zinc/84/36/59/579843659.db2.gz DWLMXOVHZLLHOQ-ISBHARSQSA-N 1 0 332.404 1.360 20 5 EDBDRO Cc1nn(C[N@H+]2CC[C@H](c3nccn3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000755792782 579935444 /nfs/dbraw/zinc/93/54/44/579935444.db2.gz WUNQKPTXXCQHNA-LBPRGKRZSA-N 1 0 341.375 1.828 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3csc([N+](=O)[O-])c3)CC[C@H]21 ZINC000768862236 580222862 /nfs/dbraw/zinc/22/28/62/580222862.db2.gz JKEBDMPKDXHSNY-CMPLNLGQSA-N 1 0 345.446 1.761 20 5 EDBDRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000770222501 580255944 /nfs/dbraw/zinc/25/59/44/580255944.db2.gz LPVZDBXWBITDCR-CYBMUJFWSA-N 1 0 332.408 1.680 20 5 EDBDRO Cc1ccc([C@H](O)C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000783908936 580608146 /nfs/dbraw/zinc/60/81/46/580608146.db2.gz DUZDOXNOYNZBBF-NVXWUHKLSA-N 1 0 346.383 1.966 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000785801230 580653727 /nfs/dbraw/zinc/65/37/27/580653727.db2.gz QJVMBZSIXKDDAW-QWHCGFSZSA-N 1 0 334.376 1.230 20 5 EDBDRO CC1(C)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000796559861 580956423 /nfs/dbraw/zinc/95/64/23/580956423.db2.gz DRGYBCPEIDFYEI-NVXWUHKLSA-N 1 0 336.388 1.898 20 5 EDBDRO C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000893075671 590649624 /nfs/dbraw/zinc/64/96/24/590649624.db2.gz DBWQKKRDEFCZHP-UWWQBHOKSA-N 1 0 348.399 1.734 20 5 EDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000893093606 590656978 /nfs/dbraw/zinc/65/69/78/590656978.db2.gz VEIADDZAOKVWKU-RYUDHWBXSA-N 1 0 330.388 1.976 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1C ZINC000895628916 591235384 /nfs/dbraw/zinc/23/53/84/591235384.db2.gz JKAPERBZAQBQON-UHFFFAOYSA-N 1 0 348.403 1.058 20 5 EDBDRO Cn1c2ccccc2c(N2CC([NH+]3CCCC3)C2)c([N+](=O)[O-])c1=O ZINC000894517158 591331679 /nfs/dbraw/zinc/33/16/79/591331679.db2.gz GMZPMEPQYNQQID-UHFFFAOYSA-N 1 0 328.372 1.731 20 5 EDBDRO Cc1ccc(CNC(=O)N2CCN(C)CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000896219258 591391980 /nfs/dbraw/zinc/39/19/80/591391980.db2.gz BUVUJEBAJGPIQB-UHFFFAOYSA-N 1 0 349.435 1.292 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)cc1F ZINC000866965561 591405244 /nfs/dbraw/zinc/40/52/44/591405244.db2.gz KEJWKTFHVQKNCZ-LLVKDONJSA-N 1 0 345.396 1.757 20 5 EDBDRO CN1CCOC[C@]1(CO)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000896458039 591472963 /nfs/dbraw/zinc/47/29/63/591472963.db2.gz LWMORIRWGVWETB-CQSZACIVSA-N 1 0 329.784 1.031 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CCC4(CCOCC4)O3)C2)c1 ZINC000896917787 591680303 /nfs/dbraw/zinc/68/03/03/591680303.db2.gz GITSNGYCVTYPDP-PIMMBPRGSA-N 1 0 336.392 1.813 20 5 EDBDRO C[C@H](CCNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)[NH+](C)C ZINC000899264323 591751316 /nfs/dbraw/zinc/75/13/16/591751316.db2.gz BMWVQKFMGQCCET-CYBMUJFWSA-N 1 0 345.403 1.910 20 5 EDBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000898068770 591775854 /nfs/dbraw/zinc/77/58/54/591775854.db2.gz RCPLSALNECUTKJ-UXLLHSPISA-N 1 0 335.404 1.517 20 5 EDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000900366347 591998015 /nfs/dbraw/zinc/99/80/15/591998015.db2.gz ZDYHNUKCBUXQTO-CMPLNLGQSA-N 1 0 325.390 1.187 20 5 EDBDRO C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC[C@@H]1C[NH3+] ZINC000900380179 592002033 /nfs/dbraw/zinc/00/20/33/592002033.db2.gz FZOKUMPGKJIJTA-GHMZBOCLSA-N 1 0 333.392 1.206 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[NH2+]CCC34CCOCC4)nc2c1 ZINC000900423231 592014675 /nfs/dbraw/zinc/01/46/75/592014675.db2.gz VJMTUXHWANEHCI-UHFFFAOYSA-N 1 0 331.376 1.820 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000902957569 592090463 /nfs/dbraw/zinc/09/04/63/592090463.db2.gz KVGLHZKZNDFYGK-CQSZACIVSA-N 1 0 331.376 1.751 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000903596399 592238107 /nfs/dbraw/zinc/23/81/07/592238107.db2.gz RDTRRALJHGOEOZ-ZDUSSCGKSA-N 1 0 345.808 1.765 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000903596727 592238708 /nfs/dbraw/zinc/23/87/08/592238708.db2.gz SGAHHNQMPQBLKH-ZDUSSCGKSA-N 1 0 345.808 1.765 20 5 EDBDRO C[C@@H]1CN(C)C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)O1 ZINC000904500616 592272857 /nfs/dbraw/zinc/27/28/57/592272857.db2.gz OIYBUMFXWPWHAD-YGRLFVJLSA-N 1 0 330.344 1.801 20 5 EDBDRO C[NH+](C)CCn1nccc1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000901232228 592295557 /nfs/dbraw/zinc/29/55/57/592295557.db2.gz BTTGIWKYCDULLZ-UHFFFAOYSA-N 1 0 331.376 1.325 20 5 EDBDRO COCC[C@@H]1C[NH2+]CCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000903830453 592336448 /nfs/dbraw/zinc/33/64/48/592336448.db2.gz BQWSQEHNVSFFPF-CYBMUJFWSA-N 1 0 336.392 1.152 20 5 EDBDRO O=C(CN1CCC[C@@]12CC[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000903863559 592349863 /nfs/dbraw/zinc/34/98/63/592349863.db2.gz BUYDLYHLNKLPKS-KRWDZBQOSA-N 1 0 330.388 1.312 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)Cc2ccccc2F)cc1 ZINC000905470934 592544714 /nfs/dbraw/zinc/54/47/14/592544714.db2.gz FIGORONATGEDCN-NVXWUHKLSA-N 1 0 334.347 1.961 20 5 EDBDRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000908593699 592547575 /nfs/dbraw/zinc/54/75/75/592547575.db2.gz FHJMBNIJBFXDNG-UHFFFAOYSA-N 1 0 339.367 1.699 20 5 EDBDRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000908592174 592556696 /nfs/dbraw/zinc/55/66/96/592556696.db2.gz CVYOKDNCKCQTTI-UHFFFAOYSA-N 1 0 327.406 1.621 20 5 EDBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000911499701 592932299 /nfs/dbraw/zinc/93/22/99/592932299.db2.gz GKKDPBZBSIQCRM-UHFFFAOYSA-N 1 0 349.435 1.991 20 5 EDBDRO C[NH+](C)CCN(C(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C1CC1 ZINC000807268192 593158054 /nfs/dbraw/zinc/15/80/54/593158054.db2.gz NEEPXVABUKIDFC-UHFFFAOYSA-N 1 0 335.389 1.766 20 5 EDBDRO COC(=O)[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000839629655 593355026 /nfs/dbraw/zinc/35/50/26/593355026.db2.gz BNFDSEVJOPUDTA-GFCCVEGCSA-N 1 0 341.795 1.785 20 5 EDBDRO CO[C@@H]1CN(CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000840055121 593429654 /nfs/dbraw/zinc/42/96/54/593429654.db2.gz UHLCZIVNKMBTHI-MJEQTWJJSA-N 1 0 349.387 1.846 20 5 EDBDRO CCN1CCC([N@@H+]2CCCN(Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000817374069 593598201 /nfs/dbraw/zinc/59/82/01/593598201.db2.gz VPKPDEIGHUDCME-UHFFFAOYSA-N 1 0 336.440 1.241 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000817490064 593607599 /nfs/dbraw/zinc/60/75/99/593607599.db2.gz LPSYSAOUVZHOSN-GFCCVEGCSA-N 1 0 336.348 1.978 20 5 EDBDRO Cc1c(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818010255 593656960 /nfs/dbraw/zinc/65/69/60/593656960.db2.gz KDLHCEBHRYPQON-ONGXEEELSA-N 1 0 336.348 1.868 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CSCCS1 ZINC000819143058 593741067 /nfs/dbraw/zinc/74/10/67/593741067.db2.gz ZAUSFWCVVIISQP-NEPJUHHUSA-N 1 0 344.458 1.773 20 5 EDBDRO COc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c(OC)n1 ZINC000819321534 593750612 /nfs/dbraw/zinc/75/06/12/593750612.db2.gz IJXRHAQLIXZMBY-AWEZNQCLSA-N 1 0 333.344 1.830 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)[C@H]2C1 ZINC000820263879 593804128 /nfs/dbraw/zinc/80/41/28/593804128.db2.gz INIDJEHADROSTE-XCBNKYQSSA-N 1 0 342.758 1.746 20 5 EDBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820752168 593880753 /nfs/dbraw/zinc/88/07/53/593880753.db2.gz KZSVMNCDPDZNOL-GXSJLCMTSA-N 1 0 332.368 1.311 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000820752792 593881058 /nfs/dbraw/zinc/88/10/58/593881058.db2.gz RTODZHQDJHRBRJ-ZANVPECISA-N 1 0 329.364 1.670 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC[C@H]21 ZINC000821625822 593886801 /nfs/dbraw/zinc/88/68/01/593886801.db2.gz WIZOXIONODADRH-ZYHUDNBSSA-N 1 0 344.379 1.090 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000823249955 594175883 /nfs/dbraw/zinc/17/58/83/594175883.db2.gz RQIRGYMQKFVGAB-AWEZNQCLSA-N 1 0 335.404 1.788 20 5 EDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCCCNc1ccccn1 ZINC000823624771 594222542 /nfs/dbraw/zinc/22/25/42/594222542.db2.gz IYEIFHXRVPZTTM-UHFFFAOYSA-N 1 0 341.335 1.479 20 5 EDBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000823630467 594223131 /nfs/dbraw/zinc/22/31/31/594223131.db2.gz XCMFSUZQBOJUAL-LBPRGKRZSA-N 1 0 327.348 1.225 20 5 EDBDRO C[NH+]1CCC([C@H]2CCN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000827714017 594263741 /nfs/dbraw/zinc/26/37/41/594263741.db2.gz RJUURUGTDBUHJS-DOTOQJQBSA-N 1 0 347.415 1.819 20 5 EDBDRO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000826552832 594523846 /nfs/dbraw/zinc/52/38/46/594523846.db2.gz BOGMIXABQYWHNE-RHSMWYFYSA-N 1 0 347.415 1.963 20 5 EDBDRO O=c1[n-]nc([C@@H]2CCC[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000829438059 594613172 /nfs/dbraw/zinc/61/31/72/594613172.db2.gz ACEHIPBMFZYYHD-DGCLKSJQSA-N 1 0 334.332 1.596 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000827079153 594636124 /nfs/dbraw/zinc/63/61/24/594636124.db2.gz WEURRDMSLLSEOD-AWEZNQCLSA-N 1 0 335.408 1.623 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000827244953 594655826 /nfs/dbraw/zinc/65/58/26/594655826.db2.gz GSSADUPGYPRFKT-ZWNOBZJWSA-N 1 0 337.351 1.909 20 5 EDBDRO CC(C)[C@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000827500006 594677620 /nfs/dbraw/zinc/67/76/20/594677620.db2.gz UWLMUSRPYYNXHG-MRXNPFEDSA-N 1 0 345.403 1.743 20 5 EDBDRO CCO[C@@H](CNC(=O)c1cc(OC)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000831756129 594699781 /nfs/dbraw/zinc/69/97/81/594699781.db2.gz BNMWCDWMSVOGHL-LBPRGKRZSA-N 1 0 325.365 1.300 20 5 EDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000832630694 594765406 /nfs/dbraw/zinc/76/54/06/594765406.db2.gz WJAFMMJDOSUJMB-CYBMUJFWSA-N 1 0 348.403 1.161 20 5 EDBDRO CC1(C)CCC[N@@H+]1CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000832755973 594774431 /nfs/dbraw/zinc/77/44/31/594774431.db2.gz HTBUZVVCOVLHCE-UHFFFAOYSA-N 1 0 345.396 1.887 20 5 EDBDRO Cc1cc(C(=O)Nc2cnn(CC[NH+](C)C)c2)c(N)c([N+](=O)[O-])c1 ZINC000104150083 594845017 /nfs/dbraw/zinc/84/50/17/594845017.db2.gz PLTYSWQXMMEUBP-UHFFFAOYSA-N 1 0 332.364 1.496 20 5 EDBDRO C[C@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1[NH3+] ZINC000841175781 594863488 /nfs/dbraw/zinc/86/34/88/594863488.db2.gz JADJCPVORUUHIQ-KWQFWETISA-N 1 0 340.767 1.382 20 5 EDBDRO COc1cc(Cc2noc(COCC[NH3+])n2)c([N+](=O)[O-])c(OC)c1 ZINC000843225531 595044390 /nfs/dbraw/zinc/04/43/90/595044390.db2.gz KHKPHQFQCDSXGQ-UHFFFAOYSA-N 1 0 338.320 1.061 20 5 EDBDRO COc1cc(-c2noc([C@@H]3CC3[N+](=O)[O-])n2)ccc1OCC[NH+](C)C ZINC000842492113 595122035 /nfs/dbraw/zinc/12/20/35/595122035.db2.gz ZOJJVEXGRCMVGO-VXGBXAGGSA-N 1 0 348.359 1.818 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC2(C1)CC[NH2+]CC2 ZINC000834442123 595124525 /nfs/dbraw/zinc/12/45/25/595124525.db2.gz OTPVAXYQWBGJLH-UHFFFAOYSA-N 1 0 347.371 1.582 20 5 EDBDRO C[NH2+]C[C@@H](C)c1noc(CN2C(=O)COc3ccc([N+](=O)[O-])cc32)n1 ZINC000842575508 595130602 /nfs/dbraw/zinc/13/06/02/595130602.db2.gz BNECYNNBLQQNNR-SECBINFHSA-N 1 0 347.331 1.226 20 5 EDBDRO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000843513507 595138594 /nfs/dbraw/zinc/13/85/94/595138594.db2.gz GOWMDWJROZNJCX-ZDUSSCGKSA-N 1 0 334.332 1.908 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](CO)Cc2cccnc2)cc1 ZINC000843110495 595288639 /nfs/dbraw/zinc/28/86/39/595288639.db2.gz MXXKKHNZIXTSTH-RHSMWYFYSA-N 1 0 331.372 1.464 20 5 EDBDRO COCC[NH2+]C1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000846686030 595301628 /nfs/dbraw/zinc/30/16/28/595301628.db2.gz CMKNTQJGJOGFKE-UHFFFAOYSA-N 1 0 336.392 1.326 20 5 EDBDRO COc1cc(Cc2noc(C[C@H]3C[NH2+]CCO3)n2)ccc1[N+](=O)[O-] ZINC000843192936 595302322 /nfs/dbraw/zinc/30/23/22/595302322.db2.gz ZQMSKMTZIAMVEG-NSHDSACASA-N 1 0 334.332 1.108 20 5 EDBDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1O ZINC000846961885 595342980 /nfs/dbraw/zinc/34/29/80/595342980.db2.gz PLRWFOWBFRAPGC-OLZOCXBDSA-N 1 0 325.340 1.812 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000844843257 595402341 /nfs/dbraw/zinc/40/23/41/595402341.db2.gz XOFCLSXMPAOXOZ-VQHPVUNQSA-N 1 0 345.399 1.154 20 5 EDBDRO [NH3+]C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C(F)(F)F ZINC000848597534 595414660 /nfs/dbraw/zinc/41/46/60/595414660.db2.gz PCSPRYYUTGFNLQ-SECBINFHSA-N 1 0 340.689 1.937 20 5 EDBDRO CC[N@H+](C)C[C@@H](O)Cn1cnc2cc(Cl)c([N+](=O)[O-])cc2c1=O ZINC000848674572 595426635 /nfs/dbraw/zinc/42/66/35/595426635.db2.gz GHNIWJGXTJJUII-SECBINFHSA-N 1 0 340.767 1.271 20 5 EDBDRO O=C(N[C@H]1CCCC[NH2+]C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764937 595599691 /nfs/dbraw/zinc/59/96/91/595599691.db2.gz FMKHNCCZIBNQSG-JTQLQIEISA-N 1 0 329.303 1.825 20 5 EDBDRO [NH3+]C1(CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000857764957 595600144 /nfs/dbraw/zinc/60/01/44/595600144.db2.gz GFTFAIQGRQGCGX-UHFFFAOYSA-N 1 0 329.303 1.954 20 5 EDBDRO CN(C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000857766170 595601023 /nfs/dbraw/zinc/60/10/23/595601023.db2.gz NBVXTYWEPAZAGR-LBPRGKRZSA-N 1 0 329.303 1.762 20 5 EDBDRO C[C@@]1(C[NH3+])CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000857768528 595601786 /nfs/dbraw/zinc/60/17/86/595601786.db2.gz SWVMWXKYKAJBJC-ZDUSSCGKSA-N 1 0 329.303 1.764 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000857768587 595602427 /nfs/dbraw/zinc/60/24/27/595602427.db2.gz RTAOCKLANOJNRY-GFCCVEGCSA-N 1 0 345.302 1.143 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1 ZINC000853115993 595669465 /nfs/dbraw/zinc/66/94/65/595669465.db2.gz OEURVDNWZKOICD-SJORKVTESA-N 1 0 335.404 1.471 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000853410824 595748450 /nfs/dbraw/zinc/74/84/50/595748450.db2.gz AAZDDFNDSWVVGE-PWSUYJOCSA-N 1 0 342.421 1.527 20 5 EDBDRO COc1cc(N2CCN(C(C)(C)C(N)=O)CC2)c([N+](=O)[O-])cc1C ZINC000853416320 595749662 /nfs/dbraw/zinc/74/96/62/595749662.db2.gz HRDYLFNXSIMRHF-UHFFFAOYSA-N 1 0 336.392 1.298 20 5 EDBDRO COc1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)ccc1[N+](=O)[O-] ZINC000858620648 595847618 /nfs/dbraw/zinc/84/76/18/595847618.db2.gz YFSPGERWECHJSP-CYBMUJFWSA-N 1 0 341.389 1.166 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000861035610 595872822 /nfs/dbraw/zinc/87/28/22/595872822.db2.gz CWXGNQBFXCWZGJ-LBPRGKRZSA-N 1 0 338.360 1.871 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000861037133 595873488 /nfs/dbraw/zinc/87/34/88/595873488.db2.gz YQUBQQCTKYHWDK-LBPRGKRZSA-N 1 0 338.360 1.871 20 5 EDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856253788 595935491 /nfs/dbraw/zinc/93/54/91/595935491.db2.gz FHVTYOOUVSMWCW-ZNNBYXKUSA-N 1 0 345.399 1.666 20 5 EDBDRO COc1cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c([N+](=O)[O-])cc1C ZINC000853966241 595936315 /nfs/dbraw/zinc/93/63/15/595936315.db2.gz QMFSNCONZAFHTF-AWEZNQCLSA-N 1 0 335.404 1.947 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)OC[C@]1(C)C[C@H](OC)C[N@@H+]1C ZINC000861350574 595956995 /nfs/dbraw/zinc/95/69/95/595956995.db2.gz DRIHIJGYDRZSPB-LRDDRELGSA-N 1 0 338.360 1.869 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000861516390 596011251 /nfs/dbraw/zinc/01/12/51/596011251.db2.gz GFDKZXHPPSAUAG-WDEREUQCSA-N 1 0 340.767 1.443 20 5 EDBDRO C[C@@H]1CC[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[NH2+]1 ZINC000861685858 596067823 /nfs/dbraw/zinc/06/78/23/596067823.db2.gz RPBOJRLXCQWHCY-KGLIPLIRSA-N 1 0 347.419 1.567 20 5 EDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]21 ZINC000861912009 596147251 /nfs/dbraw/zinc/14/72/51/596147251.db2.gz JYSACHKZQNHBPS-VIKVFOODSA-N 1 0 348.359 1.454 20 5 EDBDRO COC(=O)N(C)CC[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000852570190 596200751 /nfs/dbraw/zinc/20/07/51/596200751.db2.gz JFRBVWQSUNYETM-UHFFFAOYSA-N 1 0 341.364 1.612 20 5 EDBDRO O=C1CCCN1C[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852680718 596226164 /nfs/dbraw/zinc/22/61/64/596226164.db2.gz YFPZAVURCHCFPU-BBRMVZONSA-N 1 0 333.388 1.573 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000866555188 596249438 /nfs/dbraw/zinc/24/94/38/596249438.db2.gz KOGQBVZINGQQCM-GUYCJALGSA-N 1 0 349.387 1.182 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[NH2+]CCC2(C)C)c([N+](=O)[O-])c1 ZINC000866700107 596299283 /nfs/dbraw/zinc/29/92/83/596299283.db2.gz RYAOKYCGTKWEOI-UHFFFAOYSA-N 1 0 336.392 1.616 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000866768806 596332304 /nfs/dbraw/zinc/33/23/04/596332304.db2.gz XDXVFHAZUSWGBQ-SKDRFNHKSA-N 1 0 329.353 1.025 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)c(F)cc1[N+](=O)[O-] ZINC000866772490 596335239 /nfs/dbraw/zinc/33/52/39/596335239.db2.gz UZOASJDOVDMTBA-CQSZACIVSA-N 1 0 343.380 1.559 20 5 EDBDRO C[N@@H+]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CCC1(C)C ZINC000871153851 596481474 /nfs/dbraw/zinc/48/14/74/596481474.db2.gz NWGXPTHAHFPGLU-UHFFFAOYSA-N 1 0 349.387 1.729 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3csc([N+](=O)[O-])c3)CC[C@H]21 ZINC000867805482 596559092 /nfs/dbraw/zinc/55/90/92/596559092.db2.gz ADQRGVMNBQZMPM-GXSJLCMTSA-N 1 0 331.419 1.371 20 5 EDBDRO O=[N+]([O-])c1cc(CO)c(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1F ZINC000865484756 596588074 /nfs/dbraw/zinc/58/80/74/596588074.db2.gz IPUSCPLUPPKLCP-NEPJUHHUSA-N 1 0 325.340 1.501 20 5 EDBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000869770217 596624892 /nfs/dbraw/zinc/62/48/92/596624892.db2.gz MJNVZCKHWCDNJL-UHFFFAOYSA-N 1 0 349.431 1.954 20 5 EDBDRO O=[N+]([O-])c1cc(CO)c(NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1F ZINC000865623786 596629781 /nfs/dbraw/zinc/62/97/81/596629781.db2.gz FOKNTOYQNDJPNU-CYBMUJFWSA-N 1 0 339.367 1.891 20 5 EDBDRO C[NH+]1CCC2(CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC2)CC1 ZINC000866054916 596773408 /nfs/dbraw/zinc/77/34/08/596773408.db2.gz KTXTYGFDAANIES-UHFFFAOYSA-N 1 0 334.420 1.982 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC[C@@H]21 ZINC000872725588 597046878 /nfs/dbraw/zinc/04/68/78/597046878.db2.gz UTIHBHDDMLEOIW-YPMHNXCESA-N 1 0 344.371 1.174 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000874843565 597195958 /nfs/dbraw/zinc/19/59/58/597195958.db2.gz PWLNSYRKIFTWPJ-ZIAGYGMSSA-N 1 0 329.360 1.780 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CN1CC[NH2+]CC1 ZINC000876569475 597244564 /nfs/dbraw/zinc/24/45/64/597244564.db2.gz YQOAJAYGMPWJDF-UHFFFAOYSA-N 1 0 326.784 1.112 20 5 EDBDRO COc1cc(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000877370353 597503331 /nfs/dbraw/zinc/50/33/31/597503331.db2.gz UNAOFKNGSIWXIW-VHSXEESVSA-N 1 0 347.293 1.813 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000877370715 597503350 /nfs/dbraw/zinc/50/33/50/597503350.db2.gz GHWXLMRRDVFQMD-NXEZZACHSA-N 1 0 347.293 1.569 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000877451237 597517356 /nfs/dbraw/zinc/51/73/56/597517356.db2.gz KUDAIUSQMDXKCA-BFYDXBDKSA-N 1 0 332.404 1.464 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@]3(CCc4ccccc43)C2)c1 ZINC000879996329 597803012 /nfs/dbraw/zinc/80/30/12/597803012.db2.gz ANWFCRCZJHAYHB-SJLPKXTDSA-N 1 0 342.399 1.742 20 5 EDBDRO C[N@H+]1CC=C(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC000879389196 597906957 /nfs/dbraw/zinc/90/69/57/597906957.db2.gz SZEXNGUNJAGZFR-UHFFFAOYSA-N 1 0 347.371 1.748 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000153140951 695538599 /nfs/dbraw/zinc/53/85/99/695538599.db2.gz ORKWMANLJFYIGE-NSHDSACASA-N 1 0 332.360 1.032 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NC2CC([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000916919883 696815583 /nfs/dbraw/zinc/81/55/83/696815583.db2.gz LKTFROGQKYFXIA-UHFFFAOYSA-N 1 0 327.406 1.583 20 5 EDBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000917416068 697015204 /nfs/dbraw/zinc/01/52/04/697015204.db2.gz SNMVPJHWEHHWMG-GOEBONIOSA-N 1 0 337.420 1.799 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(C)CCN(C(=O)CCC2CC2)CC1 ZINC000940018917 700134212 /nfs/dbraw/zinc/13/42/12/700134212.db2.gz UJBWSXFIEIBKBE-UHFFFAOYSA-N 1 0 349.435 1.989 20 5 EDBDRO COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1C ZINC001031662654 697439514 /nfs/dbraw/zinc/43/95/14/697439514.db2.gz KBMYLOIGWQUHFX-HUUCEWRRSA-N 1 0 333.388 1.217 20 5 EDBDRO Cc1nonc1C(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997419639 703669926 /nfs/dbraw/zinc/66/99/26/703669926.db2.gz IQTAPXRBVNGLSR-UHFFFAOYSA-N 1 0 345.359 1.681 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](C/C=C\Cl)C[C@H]2CC1 ZINC000946589370 704158722 /nfs/dbraw/zinc/15/87/22/704158722.db2.gz VSQLQYKKNUIWRT-KLXSYKBTSA-N 1 0 327.812 1.575 20 5 EDBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CCc2ccns2)CC1 ZINC001005383155 708819499 /nfs/dbraw/zinc/81/94/99/708819499.db2.gz UNORDKKYZDXIBD-ZIAGYGMSSA-N 1 0 338.433 1.274 20 5 EDBDRO Cc1nc(CC[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001002788077 709393997 /nfs/dbraw/zinc/39/39/97/709393997.db2.gz MWTBRJDXGAUMBC-ZIAGYGMSSA-N 1 0 338.433 1.240 20 5 EDBDRO Cc1cc(C)n(CC[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001034644370 710320459 /nfs/dbraw/zinc/32/04/59/710320459.db2.gz FIULDVQEHWCNHO-KLHDSHLOSA-N 1 0 349.435 1.182 20 5 EDBDRO Cc1noc([C@H]2CCC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC000054676520 214250343 /nfs/dbraw/zinc/25/03/43/214250343.db2.gz DNCZIRJUUOAJLE-ZDUSSCGKSA-N 1 0 345.359 1.765 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174198250 231148341 /nfs/dbraw/zinc/14/83/41/231148341.db2.gz JFLKADFOXRNACO-AWEZNQCLSA-N 1 0 348.403 1.187 20 5 EDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc2c(c1)OCO2 ZINC000159731004 529939444 /nfs/dbraw/zinc/93/94/44/529939444.db2.gz LNYKLHRWPNQDMS-UHFFFAOYSA-N 1 0 331.328 1.617 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000178002269 232055739 /nfs/dbraw/zinc/05/57/39/232055739.db2.gz HTEJCDBYJGBLOO-QWHCGFSZSA-N 1 0 348.403 1.831 20 5 EDBDRO Cc1cccc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000065977949 215002077 /nfs/dbraw/zinc/00/20/77/215002077.db2.gz YEZYMRYDTSBEPF-UHFFFAOYSA-N 1 0 349.412 1.971 20 5 EDBDRO C[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[NH+]1CCC(C)CC1 ZINC000102340985 219196392 /nfs/dbraw/zinc/19/63/92/219196392.db2.gz MLTLQFLJPXPQJP-ZDUSSCGKSA-N 1 0 337.424 1.763 20 5 EDBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180840409 234007014 /nfs/dbraw/zinc/00/70/14/234007014.db2.gz WSFLRCHPSMXSRD-SNVBAGLBSA-N 1 0 333.344 1.538 20 5 EDBDRO CC[N@@H+]1CC[C@H](NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)C1 ZINC000412831009 304038512 /nfs/dbraw/zinc/03/85/12/304038512.db2.gz BTNLLESZRDQHKQ-LBPRGKRZSA-N 1 0 344.375 1.308 20 5 EDBDRO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000412835832 304039213 /nfs/dbraw/zinc/03/92/13/304039213.db2.gz GDDOTFAQQSNHIL-ZDUSSCGKSA-N 1 0 329.360 1.605 20 5 EDBDRO COC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000183451327 235085546 /nfs/dbraw/zinc/08/55/46/235085546.db2.gz VKBCCXIRLGPQHZ-AWEZNQCLSA-N 1 0 328.390 1.383 20 5 EDBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000041663395 138103435 /nfs/dbraw/zinc/10/34/35/138103435.db2.gz UHZABOONNHYYMQ-LBPRGKRZSA-N 1 0 334.376 1.524 20 5 EDBDRO C[NH+](C)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000079264363 138260947 /nfs/dbraw/zinc/26/09/47/138260947.db2.gz DADNGUVNRSSXAL-UHFFFAOYSA-N 1 0 347.824 1.963 20 5 EDBDRO CCOc1cc(N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000413496123 304063503 /nfs/dbraw/zinc/06/35/03/304063503.db2.gz KBPCMJWNTCHUGD-GFCCVEGCSA-N 1 0 337.376 1.535 20 5 EDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000186945640 236074308 /nfs/dbraw/zinc/07/43/08/236074308.db2.gz QYTLVMXHBVQGEW-ZDUSSCGKSA-N 1 0 335.404 1.441 20 5 EDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000186948448 236075349 /nfs/dbraw/zinc/07/53/49/236075349.db2.gz JGRIRWRRBWBFNC-VXGBXAGGSA-N 1 0 336.392 1.793 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCC[NH2+]C1CC1 ZINC000036267338 213080610 /nfs/dbraw/zinc/08/06/10/213080610.db2.gz SPDFCPJEUMQNFK-UHFFFAOYSA-N 1 0 333.797 1.669 20 5 EDBDRO NC(=O)c1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c([N+](=O)[O-])c1 ZINC000363256395 283376539 /nfs/dbraw/zinc/37/65/39/283376539.db2.gz KDGLABMFHDQVOH-PMPSAXMXSA-N 1 0 344.415 1.610 20 5 EDBDRO CC[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000413822758 304078062 /nfs/dbraw/zinc/07/80/62/304078062.db2.gz YLOMXHNVILGQJX-CQSZACIVSA-N 1 0 347.419 1.521 20 5 EDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000129613683 223074828 /nfs/dbraw/zinc/07/48/28/223074828.db2.gz XWYFEHHUQBNWBS-HNNXBMFYSA-N 1 0 335.404 1.628 20 5 EDBDRO COCCNC(=O)C1([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000414181984 304104728 /nfs/dbraw/zinc/10/47/28/304104728.db2.gz LNRJKKJCCTVUML-HNNXBMFYSA-N 1 0 333.388 1.857 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000072860948 216320915 /nfs/dbraw/zinc/32/09/15/216320915.db2.gz CVUNWRHYWBXBNL-CQSZACIVSA-N 1 0 346.431 1.758 20 5 EDBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](O)Cn2ccnn2)cc1[N+](=O)[O-] ZINC000414201245 304105728 /nfs/dbraw/zinc/10/57/28/304105728.db2.gz XWMLGHIAFFKXDZ-AAEUAGOBSA-N 1 0 335.364 1.297 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000565634449 306388030 /nfs/dbraw/zinc/38/80/30/306388030.db2.gz ODIGOHGRPKEEAF-NSHDSACASA-N 1 0 335.360 1.880 20 5 EDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000565779794 306391593 /nfs/dbraw/zinc/39/15/93/306391593.db2.gz ZJQJCYNIMDAGNE-MNOVXSKESA-N 1 0 331.376 1.851 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(CC[NH+](C)C)C2CC2)c1 ZINC000414459802 304116019 /nfs/dbraw/zinc/11/60/19/304116019.db2.gz IUTYTODEXDBTCY-UHFFFAOYSA-N 1 0 341.433 1.926 20 5 EDBDRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000566018848 306396916 /nfs/dbraw/zinc/39/69/16/306396916.db2.gz QOTDHSOTPUPSAN-QGZVFWFLSA-N 1 0 345.355 1.528 20 5 EDBDRO CC(C)[C@@H](CO)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000451593440 305355418 /nfs/dbraw/zinc/35/54/18/305355418.db2.gz IEGXXMYOPNUEBT-GDBMZVCRSA-N 1 0 325.409 1.635 20 5 EDBDRO COc1cc(CNC[C@H]2C[NH2+]CCCO2)c([N+](=O)[O-])cc1OC ZINC000415030940 304152514 /nfs/dbraw/zinc/15/25/14/304152514.db2.gz DETIHFKBHLKLEP-GFCCVEGCSA-N 1 0 325.365 1.080 20 5 EDBDRO C[C@]1(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000567222501 306442653 /nfs/dbraw/zinc/44/26/53/306442653.db2.gz ZKZJLECLFQNYQR-INIZCTEOSA-N 1 0 336.392 1.663 20 5 EDBDRO O=C(COC(=O)C1CC[NH+](C2CC2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000195452267 139016882 /nfs/dbraw/zinc/01/68/82/139016882.db2.gz OJEPEMOZUDMMFM-UHFFFAOYSA-N 1 0 347.371 1.951 20 5 EDBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000236678823 139028353 /nfs/dbraw/zinc/02/83/53/139028353.db2.gz BSICYVHAIFLVDY-JTQLQIEISA-N 1 0 331.394 1.399 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000236722640 139029538 /nfs/dbraw/zinc/02/95/38/139029538.db2.gz BFJJQESEIGEWCD-CQSZACIVSA-N 1 0 329.422 1.945 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[NH2+]C2)cc1SC ZINC000237121846 139041328 /nfs/dbraw/zinc/04/13/28/139041328.db2.gz NQKWBGYZQLNFPC-SECBINFHSA-N 1 0 325.390 1.807 20 5 EDBDRO COc1cc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000237229380 139045099 /nfs/dbraw/zinc/04/50/99/139045099.db2.gz HTWYOOLBNNZVHT-LLVKDONJSA-N 1 0 343.405 1.271 20 5 EDBDRO C[C@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000079638423 217245499 /nfs/dbraw/zinc/24/54/99/217245499.db2.gz FTFYHUNYVNBZEQ-CQSZACIVSA-N 1 0 334.420 1.879 20 5 EDBDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000111220984 220114136 /nfs/dbraw/zinc/11/41/36/220114136.db2.gz LQVOFTHIULUAKM-NWDGAFQWSA-N 1 0 334.376 1.143 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000237663475 139057476 /nfs/dbraw/zinc/05/74/76/139057476.db2.gz YMADQOFAVZCHPY-CYBMUJFWSA-N 1 0 341.433 1.880 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH+](C2CCOCC2)CC1 ZINC000081032234 217353928 /nfs/dbraw/zinc/35/39/28/217353928.db2.gz XBGXEPDIWODVDP-UHFFFAOYSA-N 1 0 337.351 1.671 20 5 EDBDRO [NH3+]C1(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCCCC1 ZINC000237827406 139061413 /nfs/dbraw/zinc/06/14/13/139061413.db2.gz PYWZGUCYMTUTIR-UHFFFAOYSA-N 1 0 325.340 1.891 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000246105566 139094994 /nfs/dbraw/zinc/09/49/94/139094994.db2.gz BLHPSSJVIXUARV-SWLSCSKDSA-N 1 0 348.403 1.123 20 5 EDBDRO O=C(C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000246690767 139117695 /nfs/dbraw/zinc/11/76/95/139117695.db2.gz MVSASHJGGNQYMZ-YOEHRIQHSA-N 1 0 345.399 1.985 20 5 EDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000247346022 139145565 /nfs/dbraw/zinc/14/55/65/139145565.db2.gz HVQVSFFPGDFAIB-QWRGUYRKSA-N 1 0 345.446 1.761 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000415389408 304211911 /nfs/dbraw/zinc/21/19/11/304211911.db2.gz SVDRTZSOUMYDDY-NSHDSACASA-N 1 0 348.403 1.682 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000248374180 139161124 /nfs/dbraw/zinc/16/11/24/139161124.db2.gz OJDGFSQQBSAEFW-ZIAGYGMSSA-N 1 0 346.387 1.937 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000248603893 139168626 /nfs/dbraw/zinc/16/86/26/139168626.db2.gz JNHAOKVWNIGMPA-NZVBXONLSA-N 1 0 347.371 1.581 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248568917 139167673 /nfs/dbraw/zinc/16/76/73/139167673.db2.gz CGYITIACMRWTOM-DRZSPHRISA-N 1 0 325.390 1.261 20 5 EDBDRO CN(CC[N@H+](C)CCn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000091763180 218061857 /nfs/dbraw/zinc/06/18/57/218061857.db2.gz MLUMBVAWKXYMED-UHFFFAOYSA-N 1 0 327.385 1.590 20 5 EDBDRO COc1cc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000093808809 218249956 /nfs/dbraw/zinc/24/99/56/218249956.db2.gz QXBPJSOUAUBYFN-NSHDSACASA-N 1 0 337.376 1.699 20 5 EDBDRO C[C@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@H](C[NH3+])C1 ZINC000261632346 139212935 /nfs/dbraw/zinc/21/29/35/139212935.db2.gz ABSUMBPOMRDMEZ-FZMZJTMJSA-N 1 0 344.375 1.375 20 5 EDBDRO COc1ccccc1[C@H]1C[NH2+]CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000261636023 139213230 /nfs/dbraw/zinc/21/32/30/139213230.db2.gz FIAZGBPBJXPYKB-CQSZACIVSA-N 1 0 331.376 1.446 20 5 EDBDRO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000261730397 139221301 /nfs/dbraw/zinc/22/13/01/139221301.db2.gz ROWUROXUQLENQK-SUYBPPKGSA-N 1 0 333.388 1.744 20 5 EDBDRO Cn1ccnc1[C@H]1C[NH2+]CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000261795888 139226731 /nfs/dbraw/zinc/22/67/31/139226731.db2.gz QWYRCCQACIMLIQ-OAHLLOKOSA-N 1 0 331.376 1.354 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000261926369 139237654 /nfs/dbraw/zinc/23/76/54/139237654.db2.gz ISJUHRNOWFDOLU-JTQLQIEISA-N 1 0 329.378 1.024 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000261916993 139236760 /nfs/dbraw/zinc/23/67/60/139236760.db2.gz HFFYNKXQADFUKD-SNVBAGLBSA-N 1 0 347.824 1.977 20 5 EDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000261922197 139237363 /nfs/dbraw/zinc/23/73/63/139237363.db2.gz ZOKVUARZTVVCJW-QWRGUYRKSA-N 1 0 335.360 1.104 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1F ZINC000413762242 250805146 /nfs/dbraw/zinc/80/51/46/250805146.db2.gz URTAGVMNBXXWEY-PHIMTYICSA-N 1 0 337.351 1.305 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262002326 139243044 /nfs/dbraw/zinc/24/30/44/139243044.db2.gz GHZQWMDNVHSWTD-GFCCVEGCSA-N 1 0 338.795 1.368 20 5 EDBDRO COC(=O)COc1ccc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000262014915 139243955 /nfs/dbraw/zinc/24/39/55/139243955.db2.gz VOFAEDDRLPDZBO-TXEJJXNPSA-N 1 0 337.376 1.329 20 5 EDBDRO COc1ccc(S(=O)(=O)N(C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000262139284 139254333 /nfs/dbraw/zinc/25/43/33/139254333.db2.gz MIRRIMDZSKOKKB-UHFFFAOYSA-N 1 0 331.394 1.209 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000417203847 251146200 /nfs/dbraw/zinc/14/62/00/251146200.db2.gz ZKJYQGCFQMAWIX-NEPJUHHUSA-N 1 0 336.392 1.791 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000415576074 304229927 /nfs/dbraw/zinc/22/99/27/304229927.db2.gz FTKPPMRTHJDPIG-LEWSCRJBSA-N 1 0 332.360 1.119 20 5 EDBDRO CNS(=O)(=O)c1ccc(N[C@@H]2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000262382409 139274858 /nfs/dbraw/zinc/27/48/58/139274858.db2.gz YXCZJVUTYAHNDU-MWLCHTKSSA-N 1 0 328.394 1.042 20 5 EDBDRO C[NH2+]C[C@@H](C)CNC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000417710556 251237896 /nfs/dbraw/zinc/23/78/96/251237896.db2.gz CLEVORACNQEBQM-CYBMUJFWSA-N 1 0 337.424 1.860 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000417990514 251318498 /nfs/dbraw/zinc/31/84/98/251318498.db2.gz MCYBDFFMHHIXAC-LBPRGKRZSA-N 1 0 342.783 1.160 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000417853358 251299056 /nfs/dbraw/zinc/29/90/56/251299056.db2.gz OXMKNSHVYCZCNU-JSGCOSHPSA-N 1 0 336.392 1.723 20 5 EDBDRO CC(C)NS(=O)(=O)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569504811 306509279 /nfs/dbraw/zinc/50/92/79/306509279.db2.gz XXIIWTLWRWRQMO-ZDUSSCGKSA-N 1 0 327.406 1.500 20 5 EDBDRO CS(=O)(=O)c1ccc(N[C@@H](C[NH3+])C2CCCC2)c([N+](=O)[O-])c1 ZINC000262571101 139287570 /nfs/dbraw/zinc/28/75/70/139287570.db2.gz XLJXWFWGLAXEIU-ZDUSSCGKSA-N 1 0 327.406 1.928 20 5 EDBDRO CCc1cc(N2CCO[C@H](C[NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420243471 251655221 /nfs/dbraw/zinc/65/52/21/251655221.db2.gz PZRWRCPZGYQJQZ-OAHLLOKOSA-N 1 0 343.387 1.778 20 5 EDBDRO CC[C@@H](C)NC(=O)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000569595746 306512578 /nfs/dbraw/zinc/51/25/78/306512578.db2.gz UFWSRGVXYKTALI-GFCCVEGCSA-N 1 0 336.392 1.818 20 5 EDBDRO C[NH2+][C@@H]1CCN(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)C1 ZINC000415595482 304235508 /nfs/dbraw/zinc/23/55/08/304235508.db2.gz HFJXJYHOEZYZLV-LLVKDONJSA-N 1 0 336.348 1.515 20 5 EDBDRO Cc1c(C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000262868715 139309244 /nfs/dbraw/zinc/30/92/44/139309244.db2.gz UUBGDTVSCCMGLO-WDEREUQCSA-N 1 0 344.375 1.306 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@@](C)(C[NH3+])CC(C)C)cc([N+](=O)[O-])c1 ZINC000422858026 252002219 /nfs/dbraw/zinc/00/22/19/252002219.db2.gz ZHJKYVBEHUPZHB-MRXNPFEDSA-N 1 0 337.376 1.875 20 5 EDBDRO CN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1C[NH2+]C1 ZINC000415699579 304258883 /nfs/dbraw/zinc/25/88/83/304258883.db2.gz JLULEHCEPTUHPF-UHFFFAOYSA-N 1 0 329.154 1.793 20 5 EDBDRO CCN1CCCC[C@@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000570201931 306533172 /nfs/dbraw/zinc/53/31/72/306533172.db2.gz NZIHKWJEJIEEEC-CVEARBPZSA-N 1 0 337.420 1.799 20 5 EDBDRO CN(CC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000458185245 254895723 /nfs/dbraw/zinc/89/57/23/254895723.db2.gz HAUDDTZEJKCZDN-CQSZACIVSA-N 1 0 334.420 1.879 20 5 EDBDRO Cn1nnc2cc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)ccc21 ZINC000488714036 255049968 /nfs/dbraw/zinc/04/99/68/255049968.db2.gz MQFMQKVMDMYYDN-UHFFFAOYSA-N 1 0 341.375 1.910 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491508306 255127690 /nfs/dbraw/zinc/12/76/90/255127690.db2.gz WYWQUWZVHSVHAC-KXPUMZMLSA-N 1 0 333.388 1.835 20 5 EDBDRO C[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000493367633 255207113 /nfs/dbraw/zinc/20/71/13/255207113.db2.gz KJWNMUGJWGUWSU-MYNJGTHASA-N 1 0 333.388 1.522 20 5 EDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[N@H+]1CCO ZINC000493767575 255221382 /nfs/dbraw/zinc/22/13/82/255221382.db2.gz BFVZHAVMEXDNIO-XITLMJRVSA-N 1 0 333.388 1.571 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000493107787 255191674 /nfs/dbraw/zinc/19/16/74/255191674.db2.gz QMEQTLLCZKHWNL-BYPUDFOVSA-N 1 0 345.399 1.822 20 5 EDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000493121937 255192680 /nfs/dbraw/zinc/19/26/80/255192680.db2.gz SHLLBOROSMWGDF-CHYADLBTSA-N 1 0 331.372 1.181 20 5 EDBDRO COc1cc(C[NH2+][C@@H]2CCn3ccnc3C2)c([N+](=O)[O-])cc1OC ZINC000494433738 255250741 /nfs/dbraw/zinc/25/07/41/255250741.db2.gz DXWVOOSYDPQITG-GFCCVEGCSA-N 1 0 332.360 1.913 20 5 EDBDRO COC(=O)N1CCC(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000496377777 255389234 /nfs/dbraw/zinc/38/92/34/255389234.db2.gz SSPZIFWLWXNVKY-OAHLLOKOSA-N 1 0 337.376 1.696 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000178094802 533213568 /nfs/dbraw/zinc/21/35/68/533213568.db2.gz SLBSKYJRFWYAJU-ZDUSSCGKSA-N 1 0 349.387 1.398 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178492017 533218728 /nfs/dbraw/zinc/21/87/28/533218728.db2.gz PAURCKXDWHGGLV-CQSZACIVSA-N 1 0 335.404 1.758 20 5 EDBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000118112259 221119264 /nfs/dbraw/zinc/11/92/64/221119264.db2.gz OAYXQETXAMDKIE-ZDUSSCGKSA-N 1 0 348.403 1.770 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000264234798 139389032 /nfs/dbraw/zinc/38/90/32/139389032.db2.gz YUMYFDUJNQKLES-UHFFFAOYSA-N 1 0 338.408 1.433 20 5 EDBDRO CC[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000570786968 306550710 /nfs/dbraw/zinc/55/07/10/306550710.db2.gz JFRRLHFXPJIWJV-JSGCOSHPSA-N 1 0 342.417 1.916 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2CC[NH+](C)CC2)c1C ZINC000248095212 291994754 /nfs/dbraw/zinc/99/47/54/291994754.db2.gz HYFGNYNSXSXVAI-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420263294 292017415 /nfs/dbraw/zinc/01/74/15/292017415.db2.gz BSXDFAAFPFAKOC-NEPJUHHUSA-N 1 0 334.376 1.602 20 5 EDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000267912705 139690381 /nfs/dbraw/zinc/69/03/81/139690381.db2.gz BLQKBEDNQUGNPB-OAHLLOKOSA-N 1 0 339.392 1.447 20 5 EDBDRO C[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000269215994 139896017 /nfs/dbraw/zinc/89/60/17/139896017.db2.gz QYAWTAHIWBBGGM-GXTWGEPZSA-N 1 0 348.403 1.219 20 5 EDBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c1 ZINC000270384183 140090185 /nfs/dbraw/zinc/09/01/85/140090185.db2.gz OZDQSXOZHWLGGS-UHFFFAOYSA-N 1 0 344.371 1.765 20 5 EDBDRO CC[C@H](CO)[NH+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000270470275 140106064 /nfs/dbraw/zinc/10/60/64/140106064.db2.gz HHAGTFBZTOXPFP-OAHLLOKOSA-N 1 0 335.404 1.443 20 5 EDBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000270765778 140164610 /nfs/dbraw/zinc/16/46/10/140164610.db2.gz GPSHMAKPROKEDG-LBPRGKRZSA-N 1 0 337.424 1.959 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000271028865 140223630 /nfs/dbraw/zinc/22/36/30/140223630.db2.gz PBXALGOZPMLMDD-GFCCVEGCSA-N 1 0 337.424 1.679 20 5 EDBDRO COc1cccc(C2([NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000271746068 140343464 /nfs/dbraw/zinc/34/34/64/140343464.db2.gz XNUKITIUBIZNDP-AWEZNQCLSA-N 1 0 332.360 1.440 20 5 EDBDRO Cn1cc([C@@H]2CCCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000331400487 141017370 /nfs/dbraw/zinc/01/73/70/141017370.db2.gz DCEIJTINXQDKET-CABCVRRESA-N 1 0 334.380 1.113 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000331888936 141094408 /nfs/dbraw/zinc/09/44/08/141094408.db2.gz GEZUVDILIACYIH-CVEARBPZSA-N 1 0 348.403 1.247 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2(CO)CCOCC2)n1 ZINC000332050907 141115284 /nfs/dbraw/zinc/11/52/84/141115284.db2.gz MWMYGXVFLKTFBR-UONOGXRCSA-N 1 0 338.408 1.654 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000332127076 141127589 /nfs/dbraw/zinc/12/75/89/141127589.db2.gz HEYCRLXFJJCDFT-GJZGRUSLSA-N 1 0 348.403 1.247 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC[N@@H+]1C ZINC000332657494 141224368 /nfs/dbraw/zinc/22/43/68/141224368.db2.gz JRZLOLFEPMEVRU-RYUDHWBXSA-N 1 0 344.375 1.388 20 5 EDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000344825539 143016544 /nfs/dbraw/zinc/01/65/44/143016544.db2.gz IQNZTBMTGYRLQN-GFCCVEGCSA-N 1 0 334.376 1.381 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCNS(C)(=O)=O ZINC000344864936 143021324 /nfs/dbraw/zinc/02/13/24/143021324.db2.gz SLNOVEHGMMIOSX-FMIVXFBMSA-N 1 0 327.406 1.527 20 5 EDBDRO C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000345031310 143041519 /nfs/dbraw/zinc/04/15/19/143041519.db2.gz AFFSWXGDOHNNFN-LLVKDONJSA-N 1 0 341.795 1.833 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000416494473 304324151 /nfs/dbraw/zinc/32/41/51/304324151.db2.gz IVJFMJIBEBIXPU-GFCCVEGCSA-N 1 0 327.406 1.442 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346259931 143184375 /nfs/dbraw/zinc/18/43/75/143184375.db2.gz KGHSPBUSCBNWEI-GZBFAFLISA-N 1 0 349.435 1.679 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](F)C[C@H]1CO ZINC000346430199 143203804 /nfs/dbraw/zinc/20/38/04/143203804.db2.gz WZRSIEIEYNLBKP-YPMHNXCESA-N 1 0 325.340 1.637 20 5 EDBDRO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000347050687 143276692 /nfs/dbraw/zinc/27/66/92/143276692.db2.gz RCGYNYHWZXYNAH-NJZAAPMLSA-N 1 0 338.360 1.218 20 5 EDBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000347127924 143285552 /nfs/dbraw/zinc/28/55/52/143285552.db2.gz HDXYMOXNXMBXME-LBPRGKRZSA-N 1 0 347.371 1.870 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([N@H+](C)CCO)[C@H]1C ZINC000347169179 143290377 /nfs/dbraw/zinc/29/03/77/143290377.db2.gz NIEWBGUMDMZXJR-RISCZKNCSA-N 1 0 337.376 1.131 20 5 EDBDRO Cc1sc(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000416561925 304331807 /nfs/dbraw/zinc/33/18/07/304331807.db2.gz VJMOQUOZIJOFQS-NSHDSACASA-N 1 0 347.462 1.975 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)[C@H](C)OC)cc1[N+](=O)[O-] ZINC000353132582 149298744 /nfs/dbraw/zinc/29/87/44/149298744.db2.gz WDFPZYGWDUUHRK-QWRGUYRKSA-N 1 0 326.349 1.660 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]C(C)(C)[C@H](C)O)cc1[N+](=O)[O-] ZINC000353242231 149336704 /nfs/dbraw/zinc/33/67/04/149336704.db2.gz YRZHSHBVCVIFIY-JTQLQIEISA-N 1 0 326.349 1.396 20 5 EDBDRO C[NH+](C)Cc1ccc(-c2noc(Cn3cnc([N+](=O)[O-])n3)n2)cc1 ZINC000355600176 150331784 /nfs/dbraw/zinc/33/17/84/150331784.db2.gz UUDCTNBWUIFFQF-UHFFFAOYSA-N 1 0 329.320 1.346 20 5 EDBDRO C[N@@H+]1CC[C@](O)(CNc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000355682825 150359257 /nfs/dbraw/zinc/35/92/57/150359257.db2.gz MKKJMVCPNVHNRR-LBPRGKRZSA-N 1 0 330.182 1.836 20 5 EDBDRO O=C(NC1CCCCC1)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000370026008 155287210 /nfs/dbraw/zinc/28/72/10/155287210.db2.gz HVMVLEMCEXTQAT-UHFFFAOYSA-N 1 0 349.435 1.952 20 5 EDBDRO NC(=O)c1ccnc(N[C@H]2CC[N@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000357508895 151051918 /nfs/dbraw/zinc/05/19/18/151051918.db2.gz IRHKMNBDXKWYFM-LBPRGKRZSA-N 1 0 333.392 1.765 20 5 EDBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCC[N@H+]1CC=CCC1 ZINC000357664872 151107961 /nfs/dbraw/zinc/10/79/61/151107961.db2.gz ZFTZENMKHXDAAL-UHFFFAOYSA-N 1 0 347.371 1.287 20 5 EDBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])cn1)[NH+](C)C ZINC000357853698 151173386 /nfs/dbraw/zinc/17/33/86/151173386.db2.gz CNJGDRARXXKJTR-CXAGYDPISA-N 1 0 345.403 1.907 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)NCC(F)F ZINC000360919253 152251685 /nfs/dbraw/zinc/25/16/85/152251685.db2.gz MFCGIHXWLIYUPB-SECBINFHSA-N 1 0 344.318 1.283 20 5 EDBDRO O=C1NCCN1[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000363636496 153018974 /nfs/dbraw/zinc/01/89/74/153018974.db2.gz BXJKRGXYDNYMCB-HNNXBMFYSA-N 1 0 348.403 1.853 20 5 EDBDRO C[NH+](C)C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)c2ccccc2O1 ZINC000363880733 153083375 /nfs/dbraw/zinc/08/33/75/153083375.db2.gz XVLRHWMPUDIDHL-AWEZNQCLSA-N 1 0 331.376 1.621 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000364264555 153190743 /nfs/dbraw/zinc/19/07/43/153190743.db2.gz NUFOFBUJESRVBB-HNNXBMFYSA-N 1 0 348.403 1.983 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000364648412 153293394 /nfs/dbraw/zinc/29/33/94/153293394.db2.gz ACSMREIHXDMFRW-OCCSQVGLSA-N 1 0 348.403 1.314 20 5 EDBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000364939693 153376673 /nfs/dbraw/zinc/37/66/73/153376673.db2.gz ZQLFSXAVWQOFEW-LLVKDONJSA-N 1 0 341.795 1.777 20 5 EDBDRO O=C([C@@H]1CCCCC[NH2+]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000372411099 156377032 /nfs/dbraw/zinc/37/70/32/156377032.db2.gz DSKBAWFKFHAROP-JSGCOSHPSA-N 1 0 333.392 1.535 20 5 EDBDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000373940112 157074065 /nfs/dbraw/zinc/07/40/65/157074065.db2.gz UATQDSFSJRQTCW-AWEZNQCLSA-N 1 0 341.433 1.841 20 5 EDBDRO COC(=O)[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1 ZINC000374070075 157130090 /nfs/dbraw/zinc/13/00/90/157130090.db2.gz RMXCIUKEVOKFEJ-JKSUJKDBSA-N 1 0 344.371 1.680 20 5 EDBDRO Cc1cc(C(=O)N2CC[C@H](c3nccn3C)C2)c(N)c([N+](=O)[O-])c1 ZINC000374332908 157248293 /nfs/dbraw/zinc/24/82/93/157248293.db2.gz PKZYHCACBHYPQB-NSHDSACASA-N 1 0 329.360 1.849 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000374433305 157289807 /nfs/dbraw/zinc/28/98/07/157289807.db2.gz AIPLYAYNPZZGOH-CQSZACIVSA-N 1 0 333.388 1.964 20 5 EDBDRO COc1cc(C[NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)c([N+](=O)[O-])cc1O ZINC000374590651 157338089 /nfs/dbraw/zinc/33/80/89/157338089.db2.gz FBUHQKUPXNFGNG-NEPJUHHUSA-N 1 0 335.360 1.552 20 5 EDBDRO Nc1c(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc(F)cc1[N+](=O)[O-] ZINC000375969612 157702864 /nfs/dbraw/zinc/70/28/64/157702864.db2.gz QDMITKPZKQNSKP-AWEZNQCLSA-N 1 0 344.346 1.933 20 5 EDBDRO Cc1cc(N2CCN(C[C@H]3CN(C)CCO3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000377918843 158029037 /nfs/dbraw/zinc/02/90/37/158029037.db2.gz SIKKQXSLGUENIC-HUUCEWRRSA-N 1 0 349.435 1.139 20 5 EDBDRO COC(=O)CC1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000352138762 162006286 /nfs/dbraw/zinc/00/62/86/162006286.db2.gz AALWFOOQGNFRJT-UHFFFAOYSA-N 1 0 338.360 1.676 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H]1C[NH+]1CCCCCC1 ZINC000364584803 162336317 /nfs/dbraw/zinc/33/63/17/162336317.db2.gz YKNOUULWJIEBFU-HNNXBMFYSA-N 1 0 349.435 1.967 20 5 EDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366205631 162372074 /nfs/dbraw/zinc/37/20/74/162372074.db2.gz YIKYQPLNFORDQP-LAQIPUCWSA-N 1 0 345.399 1.978 20 5 EDBDRO C[C@@H]1[NH2+]CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000418082728 304455984 /nfs/dbraw/zinc/45/59/84/304455984.db2.gz JRTMELLDFDJZCC-UWVGGRQHSA-N 1 0 332.364 1.363 20 5 EDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCN1CCCC1=O ZINC000112995386 287341943 /nfs/dbraw/zinc/34/19/43/287341943.db2.gz OHZSJHHYQLPPGB-LBPRGKRZSA-N 1 0 334.376 1.476 20 5 EDBDRO C[C@@H]1C[C@@H](N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000123334666 222258016 /nfs/dbraw/zinc/25/80/16/222258016.db2.gz HCHKIESEWCFPQD-CJNGLKHVSA-N 1 0 334.420 1.972 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CC[NH+](C)C)C(C)C ZINC000123476933 222283833 /nfs/dbraw/zinc/28/38/33/222283833.db2.gz OEUFMABYYZQUHS-UHFFFAOYSA-N 1 0 345.421 1.564 20 5 EDBDRO CC(C)c1ccc(C[NH2+]CC2CN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000189709139 272967943 /nfs/dbraw/zinc/96/79/43/272967943.db2.gz ZNIAEQYVQIFZNJ-UHFFFAOYSA-N 1 0 341.433 1.699 20 5 EDBDRO Cc1nn(Cc2ccc(C(=O)N3CC[C@@H]([NH3+])C3)cc2)c(C)c1[N+](=O)[O-] ZINC000237636709 273011480 /nfs/dbraw/zinc/01/14/80/273011480.db2.gz PJXKCGKFFRCGCU-OAHLLOKOSA-N 1 0 343.387 1.630 20 5 EDBDRO C[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@H]1C[NH3+] ZINC000237637400 273011515 /nfs/dbraw/zinc/01/15/15/273011515.db2.gz CJDIJDQXGAAKJS-BONVTDFDSA-N 1 0 344.371 1.636 20 5 EDBDRO C[C@H]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C[NH3+] ZINC000237658337 273011807 /nfs/dbraw/zinc/01/18/07/273011807.db2.gz IKAQWJKASRMJPP-LRDDRELGSA-N 1 0 343.387 1.980 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000030338401 267382777 /nfs/dbraw/zinc/38/27/77/267382777.db2.gz ZWXJRVBKMFVTEU-UHFFFAOYSA-N 1 0 327.406 1.749 20 5 EDBDRO C[C@]1([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000273001243 267958184 /nfs/dbraw/zinc/95/81/84/267958184.db2.gz AALWNFQCRHSRPN-XYPHTWIQSA-N 1 0 336.388 1.882 20 5 EDBDRO C[C@H](CCN1CC[NH+](C)CC1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000274470701 268145148 /nfs/dbraw/zinc/14/51/48/268145148.db2.gz MIHGPZSIQSRHCN-LLVKDONJSA-N 1 0 338.437 1.742 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000274612724 268169052 /nfs/dbraw/zinc/16/90/52/268169052.db2.gz ZQURJUYGQSYYGL-UHFFFAOYSA-N 1 0 331.319 1.117 20 5 EDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000274780580 268205003 /nfs/dbraw/zinc/20/50/03/268205003.db2.gz LHIOEBYFDPTJJU-CMPLNLGQSA-N 1 0 325.390 1.262 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1([NH+](C)C)CCC1 ZINC000275449848 268344470 /nfs/dbraw/zinc/34/44/70/268344470.db2.gz IGMDOIHQTKADLH-UHFFFAOYSA-N 1 0 327.406 1.666 20 5 EDBDRO CC[NH+](CC)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000044669942 272911133 /nfs/dbraw/zinc/91/11/33/272911133.db2.gz KWMJBOCDPKYGFE-MRXNPFEDSA-N 1 0 345.403 1.991 20 5 EDBDRO Cc1n[nH]c(C(=O)NCc2ccc(CC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000276222546 273154621 /nfs/dbraw/zinc/15/46/21/273154621.db2.gz JEWBLVPSDYWZJV-UHFFFAOYSA-N 1 0 331.376 1.660 20 5 EDBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C2)CC1 ZINC000276360057 273163477 /nfs/dbraw/zinc/16/34/77/273163477.db2.gz MCBTUBVJVCHXGZ-CYBMUJFWSA-N 1 0 332.404 1.981 20 5 EDBDRO C[NH+](C)C1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000277114092 273180053 /nfs/dbraw/zinc/18/00/53/273180053.db2.gz DSEDTLCSMUFVFM-UHFFFAOYSA-N 1 0 328.166 1.743 20 5 EDBDRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000277127906 273181705 /nfs/dbraw/zinc/18/17/05/273181705.db2.gz OEVATYYOFHAIEL-NSHDSACASA-N 1 0 330.410 1.078 20 5 EDBDRO COc1cc(C(=O)NCC[N@H+]2CC=CCC2)cc([N+](=O)[O-])c1OC ZINC000280301871 273354113 /nfs/dbraw/zinc/35/41/13/273354113.db2.gz SCAGBKSUMBEABM-UHFFFAOYSA-N 1 0 335.360 1.604 20 5 EDBDRO Cc1cc(OCC(=O)N2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000280669410 273383548 /nfs/dbraw/zinc/38/35/48/273383548.db2.gz XTQFFWXMXJXLFQ-UHFFFAOYSA-N 1 0 333.388 1.836 20 5 EDBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000281660220 273508588 /nfs/dbraw/zinc/50/85/88/273508588.db2.gz IXAPYQKQTIWASE-UHFFFAOYSA-N 1 0 335.360 1.881 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000282515930 273668084 /nfs/dbraw/zinc/66/80/84/273668084.db2.gz XTVHEBUHJYTGQG-AAEUAGOBSA-N 1 0 334.376 1.489 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000365231518 273816249 /nfs/dbraw/zinc/81/62/49/273816249.db2.gz NOQPOFLUCMZFOM-NSHDSACASA-N 1 0 342.421 1.163 20 5 EDBDRO COc1ccc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000283825841 273975313 /nfs/dbraw/zinc/97/53/13/273975313.db2.gz DPGPNMVHVIYEOV-WFASDCNBSA-N 1 0 326.393 1.851 20 5 EDBDRO COC(=O)c1cn(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)nn1 ZINC000284315256 274157600 /nfs/dbraw/zinc/15/76/00/274157600.db2.gz JSNDMUKCOLKGOQ-CQSZACIVSA-N 1 0 345.359 1.640 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000284533030 274235928 /nfs/dbraw/zinc/23/59/28/274235928.db2.gz ADBGBLQUHBOQST-UONOGXRCSA-N 1 0 345.359 1.016 20 5 EDBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@](O)(Cn3ccnn3)C2)cc1 ZINC000284633044 274272498 /nfs/dbraw/zinc/27/24/98/274272498.db2.gz SXYFNAVVRXSTFM-INIZCTEOSA-N 1 0 331.376 1.256 20 5 EDBDRO Cn1nccc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000284697512 274298323 /nfs/dbraw/zinc/29/83/23/274298323.db2.gz YLYSTMTWCSYCOF-CZUORRHYSA-N 1 0 329.360 1.438 20 5 EDBDRO CN1CCO[C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000284767342 274323999 /nfs/dbraw/zinc/32/39/99/274323999.db2.gz MLLICJZIDRCBBX-JKSUJKDBSA-N 1 0 348.403 1.328 20 5 EDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000285236825 274491055 /nfs/dbraw/zinc/49/10/55/274491055.db2.gz GKIWHOGWPVZKSV-OCCSQVGLSA-N 1 0 339.417 1.842 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000372918408 274666559 /nfs/dbraw/zinc/66/65/59/274666559.db2.gz MLBSJXSSRGBATH-PWSUYJOCSA-N 1 0 334.332 1.635 20 5 EDBDRO CC[NH+]1CCN([C@H](C)CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000255047594 287828243 /nfs/dbraw/zinc/82/82/43/287828243.db2.gz LFWKJSXTTYKTEO-ZPIQOJFGSA-N 1 0 346.431 1.750 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000267197063 276075289 /nfs/dbraw/zinc/07/52/89/276075289.db2.gz FBTVPOQLTGRPBT-LLVKDONJSA-N 1 0 342.421 1.020 20 5 EDBDRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000186725592 276366898 /nfs/dbraw/zinc/36/68/98/276366898.db2.gz ZTKJWFXYRJKFHZ-YOEHRIQHSA-N 1 0 335.404 1.786 20 5 EDBDRO CC(C)(C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000332110012 277122763 /nfs/dbraw/zinc/12/27/63/277122763.db2.gz FUHZMVYYDMOSBY-CYBMUJFWSA-N 1 0 335.408 1.613 20 5 EDBDRO CNS(=O)(=O)c1ccc(N2C[C@H](C)[NH+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000338793943 277291201 /nfs/dbraw/zinc/29/12/01/277291201.db2.gz KJWJUTKHRQSVPW-QWRGUYRKSA-N 1 0 342.421 1.032 20 5 EDBDRO CC(C)NC(=O)c1ccc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000420254331 277661430 /nfs/dbraw/zinc/66/14/30/277661430.db2.gz CYJUCFNNMWLSKF-KBPBESRZSA-N 1 0 332.404 1.921 20 5 EDBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000286614056 288046109 /nfs/dbraw/zinc/04/61/09/288046109.db2.gz LMCVLQMBQJIUTA-UHFFFAOYSA-N 1 0 335.364 1.365 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000366304276 278744660 /nfs/dbraw/zinc/74/46/60/278744660.db2.gz JDCVURAQPKNIDI-JSGCOSHPSA-N 1 0 339.417 1.584 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000261858244 278866356 /nfs/dbraw/zinc/86/63/56/278866356.db2.gz FONPUWQRATVMSO-NWDGAFQWSA-N 1 0 327.406 1.570 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[N@@H+]1CCCOCC1 ZINC000286835042 288100368 /nfs/dbraw/zinc/10/03/68/288100368.db2.gz ZOTTZRQVQNOVAV-UHFFFAOYSA-N 1 0 337.376 1.824 20 5 EDBDRO C[C@@H]1[C@H](C)N(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000357040399 279103656 /nfs/dbraw/zinc/10/36/56/279103656.db2.gz PEUGFZFJXRRYEB-OLZOCXBDSA-N 1 0 332.404 1.508 20 5 EDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000286842040 288101762 /nfs/dbraw/zinc/10/17/62/288101762.db2.gz WVJBSBKRXIBDPX-QWHCGFSZSA-N 1 0 339.417 1.842 20 5 EDBDRO CC[N@H+](CCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C1CC1 ZINC000263795782 279205527 /nfs/dbraw/zinc/20/55/27/279205527.db2.gz YDLPXBZVHDNOHU-UHFFFAOYSA-N 1 0 337.376 1.826 20 5 EDBDRO O=c1[nH]c(N2CC[C@@H]([NH+]3CC=CC3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000287133452 288163443 /nfs/dbraw/zinc/16/34/43/288163443.db2.gz DHUJFWNEWISSIG-GFCCVEGCSA-N 1 0 327.344 1.694 20 5 EDBDRO Cc1c(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000237849582 280218842 /nfs/dbraw/zinc/21/88/42/280218842.db2.gz LBBGCQIGDYFWOF-JQWIXIFHSA-N 1 0 336.348 1.977 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000193401091 280396739 /nfs/dbraw/zinc/39/67/39/280396739.db2.gz UWJCKUKXBDNCDX-SKDRFNHKSA-N 1 0 327.406 1.488 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000268269509 288238879 /nfs/dbraw/zinc/23/88/79/288238879.db2.gz SNAGULFLXSAMJW-SKDRFNHKSA-N 1 0 347.824 1.819 20 5 EDBDRO C[C@@H](C[NH+](C)C)NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000287980408 288372723 /nfs/dbraw/zinc/37/27/23/288372723.db2.gz JRUUHSKOCYKXIO-ZDUSSCGKSA-N 1 0 335.408 1.377 20 5 EDBDRO CN(CC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1[N+](=O)[O-] ZINC000289113282 288632061 /nfs/dbraw/zinc/63/20/61/288632061.db2.gz CXYLMIXMZJPOMF-HDJSIYSDSA-N 1 0 334.420 1.912 20 5 EDBDRO Cc1c(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000289826022 288786421 /nfs/dbraw/zinc/78/64/21/288786421.db2.gz AZJYJQMXASGCPD-NWDGAFQWSA-N 1 0 348.359 1.801 20 5 EDBDRO CC(C)NC(=O)c1ccc(NCCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000291531912 289096750 /nfs/dbraw/zinc/09/67/50/289096750.db2.gz ZVFZXNLYUKSUMU-UHFFFAOYSA-N 1 0 349.435 1.392 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000291992114 289234049 /nfs/dbraw/zinc/23/40/49/289234049.db2.gz BIFDGRWREKTQPT-NWDGAFQWSA-N 1 0 336.392 1.347 20 5 EDBDRO NC(=O)CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000090552889 295039003 /nfs/dbraw/zinc/03/90/03/295039003.db2.gz OLPGABUILIOQAT-UHFFFAOYSA-N 1 0 344.371 1.134 20 5 EDBDRO CS(=O)(=O)c1cccc(NCCC[C@@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000420273738 304741550 /nfs/dbraw/zinc/74/15/50/304741550.db2.gz MIJNSSROFWMIDU-NSHDSACASA-N 1 0 327.406 1.942 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](C[NH3+])CC(C)C ZINC000236623654 301428424 /nfs/dbraw/zinc/42/84/24/301428424.db2.gz WVVXOXDVUMRURU-GFCCVEGCSA-N 1 0 329.422 1.863 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000262797753 301552343 /nfs/dbraw/zinc/55/23/43/301552343.db2.gz UONJHCRHWIXXPO-NEPJUHHUSA-N 1 0 327.406 1.583 20 5 EDBDRO CC1(NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000420445642 304759070 /nfs/dbraw/zinc/75/90/70/304759070.db2.gz FMNOUCAXQDRGBX-UHFFFAOYSA-N 1 0 327.406 1.199 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000420474952 304763089 /nfs/dbraw/zinc/76/30/89/304763089.db2.gz WEPMCCFBMAJPHD-RYUDHWBXSA-N 1 0 327.406 1.699 20 5 EDBDRO CN(Cc1csc([N+](=O)[O-])c1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000295173978 303183761 /nfs/dbraw/zinc/18/37/61/303183761.db2.gz UQUSKTYJUHNESQ-LLVKDONJSA-N 1 0 345.421 1.974 20 5 EDBDRO Cc1cc(Cl)c(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000295442169 303219857 /nfs/dbraw/zinc/21/98/57/303219857.db2.gz NEIPKBYKQXIAPF-CQSZACIVSA-N 1 0 329.784 1.599 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000295586792 303238559 /nfs/dbraw/zinc/23/85/59/303238559.db2.gz WDFKSJFLPWLWSY-CYBMUJFWSA-N 1 0 337.376 1.180 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CCC[C@@H](O)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000296141949 303298457 /nfs/dbraw/zinc/29/84/57/303298457.db2.gz JRQGVJWLJVIDCS-XHDPSFHLSA-N 1 0 337.376 1.777 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000298708884 303547880 /nfs/dbraw/zinc/54/78/80/303547880.db2.gz AIBQRDHTKHACBP-SNVBAGLBSA-N 1 0 336.392 1.464 20 5 EDBDRO COc1cc(CN[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414885437 447344037 /nfs/dbraw/zinc/34/40/37/447344037.db2.gz PBXJLBTWFBHVKB-JTQLQIEISA-N 1 0 349.309 1.996 20 5 EDBDRO COCC(C)(C)[NH+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000425274475 304958391 /nfs/dbraw/zinc/95/83/91/304958391.db2.gz CWBXEORLELGNEL-UHFFFAOYSA-N 1 0 334.380 1.185 20 5 EDBDRO C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000428981747 305021519 /nfs/dbraw/zinc/02/15/19/305021519.db2.gz YKPTYNYHFKJCTP-GHMZBOCLSA-N 1 0 335.360 1.484 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2Cc3cccc(O)c3C2)c1 ZINC000429238162 305026339 /nfs/dbraw/zinc/02/63/39/305026339.db2.gz QWHXIPVQRKAVBG-HIFRSBDPSA-N 1 0 344.367 1.797 20 5 EDBDRO C[NH2+][C@H]1CCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000430628689 305060280 /nfs/dbraw/zinc/06/02/80/305060280.db2.gz PCPLFPZYXZNSEK-JTQLQIEISA-N 1 0 331.319 1.999 20 5 EDBDRO C[NH2+]C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430933421 305068989 /nfs/dbraw/zinc/06/89/89/305068989.db2.gz KPNFSEUFYVQIQA-UHFFFAOYSA-N 1 0 336.392 1.616 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430939427 305069363 /nfs/dbraw/zinc/06/93/63/305069363.db2.gz GGJJYFJEKGNZDG-AAEUAGOBSA-N 1 0 336.392 1.601 20 5 EDBDRO C[NH2+]C1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000430955065 305070577 /nfs/dbraw/zinc/07/05/77/305070577.db2.gz LGVVYRDODZTSEY-NSHDSACASA-N 1 0 336.392 1.614 20 5 EDBDRO C[C@H]1C[N@H+](CCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCO1 ZINC000432859299 305096332 /nfs/dbraw/zinc/09/63/32/305096332.db2.gz NMBCODFGPUMAKR-LBPRGKRZSA-N 1 0 336.392 1.607 20 5 EDBDRO CC1(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]CC1 ZINC000434677146 305127275 /nfs/dbraw/zinc/12/72/75/305127275.db2.gz WBQIIIQWSKYLCZ-UHFFFAOYSA-N 1 0 335.360 1.167 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000440743232 305212275 /nfs/dbraw/zinc/21/22/75/305212275.db2.gz XOHGIFLDRLWOOL-UHFFFAOYSA-N 1 0 347.368 1.102 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000442164179 305226547 /nfs/dbraw/zinc/22/65/47/305226547.db2.gz QXECWKQUCIAXQA-JQWIXIFHSA-N 1 0 334.376 1.441 20 5 EDBDRO C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000442327785 305228842 /nfs/dbraw/zinc/22/88/42/305228842.db2.gz BOGFAVROIYWDKF-NSHDSACASA-N 1 0 332.360 1.300 20 5 EDBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000443498297 305238754 /nfs/dbraw/zinc/23/87/54/305238754.db2.gz FVEUHJUHLFIUPJ-UHFFFAOYSA-N 1 0 327.410 1.406 20 5 EDBDRO O=[N+]([O-])c1c(NC[C@H]2CCCC[N@H+]2CCO)nc2sccn21 ZINC000450610156 305330928 /nfs/dbraw/zinc/33/09/28/305330928.db2.gz GPPDMNWOXVZDJS-SNVBAGLBSA-N 1 0 325.394 1.563 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000451339618 305340105 /nfs/dbraw/zinc/34/01/05/305340105.db2.gz ILCCVMAOGAJCSM-QXSJWSMHSA-N 1 0 338.408 1.168 20 5 EDBDRO CC(=O)N1CC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000516978269 305745879 /nfs/dbraw/zinc/74/58/79/305745879.db2.gz ALHBWANLPNTKKG-UHFFFAOYSA-N 1 0 329.360 1.316 20 5 EDBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000525128588 305822569 /nfs/dbraw/zinc/82/25/69/305822569.db2.gz XLPQZENDZJEQKD-UHFFFAOYSA-N 1 0 342.421 1.485 20 5 EDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000535835244 306018073 /nfs/dbraw/zinc/01/80/73/306018073.db2.gz ORSARLFOSZEFNE-OAHLLOKOSA-N 1 0 337.420 1.655 20 5 EDBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000545183991 306081479 /nfs/dbraw/zinc/08/14/79/306081479.db2.gz WZDILVVYTICHAP-UHFFFAOYSA-N 1 0 344.437 1.732 20 5 EDBDRO C[C@@H](C(=O)NCCN1CCC([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000555312979 306201188 /nfs/dbraw/zinc/20/11/88/306201188.db2.gz YBXNUEKGBWROFO-CQSZACIVSA-N 1 0 348.447 1.841 20 5 EDBDRO CSc1ccc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000556976578 306222480 /nfs/dbraw/zinc/22/24/80/306222480.db2.gz CEZMYBDVTVGWLM-RYUDHWBXSA-N 1 0 325.390 1.064 20 5 EDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000449693489 447387498 /nfs/dbraw/zinc/38/74/98/447387498.db2.gz DSLDACBKZAIQSU-DGCLKSJQSA-N 1 0 338.433 1.095 20 5 EDBDRO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000104748009 441203468 /nfs/dbraw/zinc/20/34/68/441203468.db2.gz IUDFTFPCKRWHFG-JTQLQIEISA-N 1 0 347.824 1.820 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000104748475 441203520 /nfs/dbraw/zinc/20/35/20/441203520.db2.gz NSXVRKUHZKBCQJ-NSHDSACASA-N 1 0 343.405 1.176 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000108334162 441445294 /nfs/dbraw/zinc/44/52/94/441445294.db2.gz BKUOMTNSTJNGEE-ZDUSSCGKSA-N 1 0 343.387 1.852 20 5 EDBDRO Cc1nn(C)c(C(=O)N(CC[NH+](C)C)Cc2ccccn2)c1[N+](=O)[O-] ZINC000107261422 441405467 /nfs/dbraw/zinc/40/54/67/441405467.db2.gz CNSHIQACMVCQGX-UHFFFAOYSA-N 1 0 346.391 1.236 20 5 EDBDRO C[N@H+](CCCNC(=O)CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000065770938 441483545 /nfs/dbraw/zinc/48/35/45/441483545.db2.gz NREOXYKXSBKTPQ-UHFFFAOYSA-N 1 0 345.403 1.820 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000108406058 441451546 /nfs/dbraw/zinc/45/15/46/441451546.db2.gz KQVAFFUBYJBSSE-JTQLQIEISA-N 1 0 331.369 1.354 20 5 EDBDRO CC[NH+]1CCN(CCC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000075158432 441504803 /nfs/dbraw/zinc/50/48/03/441504803.db2.gz SBNDEHJSUCWEDT-UHFFFAOYSA-N 1 0 334.420 1.281 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000109849501 441510715 /nfs/dbraw/zinc/51/07/15/441510715.db2.gz USLMAMIILSAQAC-NSHDSACASA-N 1 0 335.360 1.453 20 5 EDBDRO O=C(NCCC[NH+]1CCCC1)NCCNc1ccccc1[N+](=O)[O-] ZINC000054047389 441556595 /nfs/dbraw/zinc/55/65/95/441556595.db2.gz BWANVRPEVQPYKK-UHFFFAOYSA-N 1 0 335.408 1.792 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000038287724 441614480 /nfs/dbraw/zinc/61/44/80/441614480.db2.gz INFFCHJODFKSFI-AWEZNQCLSA-N 1 0 346.339 1.853 20 5 EDBDRO CN(C)CC[NH+]1CCC(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000114381879 441651207 /nfs/dbraw/zinc/65/12/07/441651207.db2.gz RSSWQEQCQPFCCL-UHFFFAOYSA-N 1 0 349.435 1.180 20 5 EDBDRO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000041604708 441662673 /nfs/dbraw/zinc/66/26/73/441662673.db2.gz WZKVSMANGJASED-NSHDSACASA-N 1 0 336.392 1.688 20 5 EDBDRO CC1CC[NH+](CCCCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000067797026 441680758 /nfs/dbraw/zinc/68/07/58/441680758.db2.gz YEMHPYBZNGPZRJ-UHFFFAOYSA-N 1 0 337.424 1.810 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000068340742 441778682 /nfs/dbraw/zinc/77/86/82/441778682.db2.gz UNPCWYXFDKZRFS-MRXNPFEDSA-N 1 0 343.387 1.947 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000077821615 441869818 /nfs/dbraw/zinc/86/98/18/441869818.db2.gz XQOUVVVWVLYJQT-UHFFFAOYSA-N 1 0 348.403 1.690 20 5 EDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000077667487 441825887 /nfs/dbraw/zinc/82/58/87/441825887.db2.gz ROQJPTJLDRPOAI-LLVKDONJSA-N 1 0 336.348 1.965 20 5 EDBDRO CC(C)(C)[NH2+]CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000174250812 441906593 /nfs/dbraw/zinc/90/65/93/441906593.db2.gz LIRGADQDJBASCW-UHFFFAOYSA-N 1 0 332.364 1.293 20 5 EDBDRO O=C(NCCC[NH+]1CCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000078772518 441969855 /nfs/dbraw/zinc/96/98/55/441969855.db2.gz FFYCKQWWUQTVMF-UHFFFAOYSA-N 1 0 343.387 1.996 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000150336826 441931919 /nfs/dbraw/zinc/93/19/19/441931919.db2.gz NIEDIVSQEOHDEH-HNNXBMFYSA-N 1 0 348.403 1.784 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000069499345 441953971 /nfs/dbraw/zinc/95/39/71/441953971.db2.gz FANGYZKOCGEXOY-LBPRGKRZSA-N 1 0 337.376 1.444 20 5 EDBDRO Cc1nc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)ncc1[N+](=O)[O-] ZINC000450292688 447445065 /nfs/dbraw/zinc/44/50/65/447445065.db2.gz IJEZAFZQRAMIAX-ZIAGYGMSSA-N 1 0 348.451 1.688 20 5 EDBDRO CC(C)[C@@H](CCO)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000161757469 442030483 /nfs/dbraw/zinc/03/04/83/442030483.db2.gz SFWKCVXDUCHKMQ-CYBMUJFWSA-N 1 0 337.376 1.889 20 5 EDBDRO C[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)C[NH+]1CCCCC1 ZINC000151281522 442037416 /nfs/dbraw/zinc/03/74/16/442037416.db2.gz JENVDRAERQNCCC-CYBMUJFWSA-N 1 0 338.412 1.213 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)n1 ZINC000127055543 442166048 /nfs/dbraw/zinc/16/60/48/442166048.db2.gz NHLQORMTPISHJD-OAHLLOKOSA-N 1 0 333.436 1.905 20 5 EDBDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176217496 442194023 /nfs/dbraw/zinc/19/40/23/442194023.db2.gz GQENTZHEMPHFDF-ZIAGYGMSSA-N 1 0 337.424 1.808 20 5 EDBDRO CCN(C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1)CC(F)(F)F ZINC000176395604 442217503 /nfs/dbraw/zinc/21/75/03/442217503.db2.gz OYICGHZEHVAVCV-GFCCVEGCSA-N 1 0 349.357 1.997 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(C3CCOCC3)CC2)c1 ZINC000153328282 442275758 /nfs/dbraw/zinc/27/57/58/442275758.db2.gz GOFYDTGLPBSOHG-MRXNPFEDSA-N 1 0 338.408 1.291 20 5 EDBDRO Cc1cc(NC(=O)NCC2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000153845580 442307000 /nfs/dbraw/zinc/30/70/00/442307000.db2.gz JOOBLQZIJWIXGA-UHFFFAOYSA-N 1 0 336.392 1.729 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000171129494 442317552 /nfs/dbraw/zinc/31/75/52/442317552.db2.gz YOWSKQPWLGDYJO-UHFFFAOYSA-N 1 0 340.336 1.119 20 5 EDBDRO CCOC(=O)c1ccnc(N(C)CCCn2ccnc2)c1[N+](=O)[O-] ZINC000133022241 442404856 /nfs/dbraw/zinc/40/48/56/442404856.db2.gz ALGOZEFFQWGSQZ-UHFFFAOYSA-N 1 0 333.348 1.890 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000172020229 442400243 /nfs/dbraw/zinc/40/02/43/442400243.db2.gz KXNGQGJEIMONNO-LLVKDONJSA-N 1 0 327.406 1.664 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000172029440 442401452 /nfs/dbraw/zinc/40/14/52/442401452.db2.gz XFJCUUITJVSKBB-LBPRGKRZSA-N 1 0 349.387 1.795 20 5 EDBDRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000130892523 442359445 /nfs/dbraw/zinc/35/94/45/442359445.db2.gz AINDDDDZERAJLI-ZIAGYGMSSA-N 1 0 334.376 1.557 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(OC[C@H]3CCCCO3)CC2)n1 ZINC000177584553 442359676 /nfs/dbraw/zinc/35/96/76/442359676.db2.gz BQHCDZAVZFCTBO-OAHLLOKOSA-N 1 0 338.408 1.841 20 5 EDBDRO C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000155669302 442417785 /nfs/dbraw/zinc/41/77/85/442417785.db2.gz HCBRJPXMHZNURN-CHWSQXEVSA-N 1 0 343.387 1.945 20 5 EDBDRO COc1cc(CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])c([N+](=O)[O-])cc1OC ZINC000178348462 442426408 /nfs/dbraw/zinc/42/64/08/442426408.db2.gz IEMLFYFZHDPHPV-NEPJUHHUSA-N 1 0 337.376 1.398 20 5 EDBDRO C[C@H]([NH3+])CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000178631394 442450269 /nfs/dbraw/zinc/45/02/69/442450269.db2.gz QPYUTTWHFZXWKV-VHSXEESVSA-N 1 0 340.405 1.114 20 5 EDBDRO Cc1c(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000134148869 442452939 /nfs/dbraw/zinc/45/29/39/442452939.db2.gz RGDPUBTUFBXOOU-CYBMUJFWSA-N 1 0 348.403 1.642 20 5 EDBDRO CC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000134509652 442488957 /nfs/dbraw/zinc/48/89/57/442488957.db2.gz NTYSJXMDYPJVND-IRXDYDNUSA-N 1 0 348.403 1.425 20 5 EDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000178723931 442464263 /nfs/dbraw/zinc/46/42/63/442464263.db2.gz ZCJSYJLOWWBCSC-SECBINFHSA-N 1 0 328.166 1.839 20 5 EDBDRO Cc1c(C(=O)NCC[C@@H]2CC[NH2+]C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000178953188 442536794 /nfs/dbraw/zinc/53/67/94/442536794.db2.gz CBNKIFSMZKIVQA-LBPRGKRZSA-N 1 0 344.375 1.213 20 5 EDBDRO CCCN(C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000178889280 442515498 /nfs/dbraw/zinc/51/54/98/442515498.db2.gz LQVPDXQZURKMAR-SWLSCSKDSA-N 1 0 348.403 1.314 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000173051079 442594992 /nfs/dbraw/zinc/59/49/92/442594992.db2.gz OZBQIEQFLSPPKJ-LLVKDONJSA-N 1 0 325.413 1.582 20 5 EDBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000135859083 442637221 /nfs/dbraw/zinc/63/72/21/442637221.db2.gz AKTANRPKWYAINP-UHFFFAOYSA-N 1 0 339.421 1.409 20 5 EDBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(C)(CO)CO ZINC000135933971 442642313 /nfs/dbraw/zinc/64/23/13/442642313.db2.gz ONKQMRFOIJKDSH-UHFFFAOYSA-N 1 0 349.387 1.715 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000192851136 442692580 /nfs/dbraw/zinc/69/25/80/442692580.db2.gz NRNDAUDHMOGTBM-LBPRGKRZSA-N 1 0 327.406 1.666 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000192922516 442698200 /nfs/dbraw/zinc/69/82/00/442698200.db2.gz CNTCHEJWLDJOCT-TXEJJXNPSA-N 1 0 325.390 1.085 20 5 EDBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000193430162 442742250 /nfs/dbraw/zinc/74/22/50/442742250.db2.gz NMUXYISJDSTYHN-BDJLRTHQSA-N 1 0 347.375 1.461 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000265514338 442803937 /nfs/dbraw/zinc/80/39/37/442803937.db2.gz GPUNKCQZHCAXMM-TZMCWYRMSA-N 1 0 336.392 1.676 20 5 EDBDRO C[N@H+]1C[C@H]2CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000193621810 442760225 /nfs/dbraw/zinc/76/02/25/442760225.db2.gz PZIKHCXFSWHZTM-PHIMTYICSA-N 1 0 338.795 1.680 20 5 EDBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000182434035 442766494 /nfs/dbraw/zinc/76/64/94/442766494.db2.gz AMNMDZUDFLVANW-LBPRGKRZSA-N 1 0 342.417 1.773 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000188636476 442776721 /nfs/dbraw/zinc/77/67/21/442776721.db2.gz IJJKWDKPLFQIHO-GFCCVEGCSA-N 1 0 346.387 1.020 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000183148023 442889179 /nfs/dbraw/zinc/88/91/79/442889179.db2.gz KYDYPXFIWVDBKZ-NWDGAFQWSA-N 1 0 337.376 1.635 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248691039 442918281 /nfs/dbraw/zinc/91/82/81/442918281.db2.gz XWGZTSJYIHUIDX-FPMFFAJLSA-N 1 0 339.417 1.569 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000268262698 442923377 /nfs/dbraw/zinc/92/33/77/442923377.db2.gz ZPWKZCSUDIKRPO-ZUZCIYMTSA-N 1 0 347.371 1.594 20 5 EDBDRO CCC[C@@]1(COC)CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248757897 442923955 /nfs/dbraw/zinc/92/39/55/442923955.db2.gz XCLKCRSSVDUFTP-CABCVRRESA-N 1 0 326.397 1.433 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000268303716 442939642 /nfs/dbraw/zinc/93/96/42/442939642.db2.gz XPRMJJHYIYOYOX-MWLCHTKSSA-N 1 0 331.369 1.305 20 5 EDBDRO COC(=O)[C@]1(C)CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000268340110 442954267 /nfs/dbraw/zinc/95/42/67/442954267.db2.gz KWCNKYGJBUXNKU-XJKSGUPXSA-N 1 0 338.360 1.220 20 5 EDBDRO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)[nH]1 ZINC000268421333 442983029 /nfs/dbraw/zinc/98/30/29/442983029.db2.gz CSIWJBSYUSQYIX-ZDUSSCGKSA-N 1 0 344.375 1.500 20 5 EDBDRO CC[NH+](CC)CCNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189782454 443009538 /nfs/dbraw/zinc/00/95/38/443009538.db2.gz CYVFUFRHEKHCFF-UHFFFAOYSA-N 1 0 329.422 1.832 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC1(CO)CC1 ZINC000190031947 443048735 /nfs/dbraw/zinc/04/87/35/443048735.db2.gz NJUGHHNVQAQSSN-UHFFFAOYSA-N 1 0 337.376 1.636 20 5 EDBDRO COC(=O)CC1([NH2+]CCOc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000268473610 443001216 /nfs/dbraw/zinc/00/12/16/443001216.db2.gz RMOGWSMAUQWANE-UHFFFAOYSA-N 1 0 338.360 1.676 20 5 EDBDRO Cc1nc(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000268476414 443003236 /nfs/dbraw/zinc/00/32/36/443003236.db2.gz KKEZIHDQJHERFN-OAHLLOKOSA-N 1 0 333.436 1.905 20 5 EDBDRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000184821950 443081601 /nfs/dbraw/zinc/08/16/01/443081601.db2.gz FJENLDNJSKFKCA-NEPJUHHUSA-N 1 0 334.376 1.557 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000268707829 443084119 /nfs/dbraw/zinc/08/41/19/443084119.db2.gz APPLHDWDXIGOFU-NSHDSACASA-N 1 0 343.405 1.318 20 5 EDBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC000266441753 443127068 /nfs/dbraw/zinc/12/70/68/443127068.db2.gz MUVHSFPRUOWNHG-SKDRFNHKSA-N 1 0 326.303 1.781 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)cc1C ZINC000237667008 443178435 /nfs/dbraw/zinc/17/84/35/443178435.db2.gz WWHYJWXMXSCQGA-GFCCVEGCSA-N 1 0 327.406 1.632 20 5 EDBDRO C[NH+](C)C1(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000269045109 443182249 /nfs/dbraw/zinc/18/22/49/443182249.db2.gz FEILFAHVYDPLCH-UHFFFAOYSA-N 1 0 338.412 1.355 20 5 EDBDRO COc1ccc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000266510138 443151444 /nfs/dbraw/zinc/15/14/44/443151444.db2.gz DDCOQRGMJMEENK-HNNXBMFYSA-N 1 0 334.376 1.601 20 5 EDBDRO COc1ccc(OCCN(C)[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000266538015 443161552 /nfs/dbraw/zinc/16/15/52/443161552.db2.gz OSRZQYKELJXTQC-NSHDSACASA-N 1 0 344.389 1.101 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(c3ncc[nH]3)CC2)c1 ZINC000266752226 443229452 /nfs/dbraw/zinc/22/94/52/443229452.db2.gz OHCNLPDNMDARRF-HNNXBMFYSA-N 1 0 346.387 1.937 20 5 EDBDRO C[NH2+][C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000269121215 443204846 /nfs/dbraw/zinc/20/48/46/443204846.db2.gz JTPYOFZAMCIMDL-LLVKDONJSA-N 1 0 327.768 1.837 20 5 EDBDRO COc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000262744578 443210365 /nfs/dbraw/zinc/21/03/65/443210365.db2.gz LBOHUIFQYOMWRA-CMPLNLGQSA-N 1 0 343.405 1.494 20 5 EDBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@H]1CC[NH2+]C1 ZINC000269144483 443212125 /nfs/dbraw/zinc/21/21/25/443212125.db2.gz BOMJQDLLDZWUTR-QMMMGPOBSA-N 1 0 346.156 1.930 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000384222695 319126471 /nfs/dbraw/zinc/12/64/71/319126471.db2.gz FJLMKRZHHDPPEU-BBRMVZONSA-N 1 0 332.404 1.632 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397429874 319134565 /nfs/dbraw/zinc/13/45/65/319134565.db2.gz ZPECOPGWXNDRAH-WZRBSPASSA-N 1 0 341.433 1.897 20 5 EDBDRO Nc1c(C(=O)NCC2CC[NH+](C3CC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000278405493 443320845 /nfs/dbraw/zinc/32/08/45/443320845.db2.gz RLMHGYXBECVOPZ-UHFFFAOYSA-N 1 0 336.367 1.920 20 5 EDBDRO COC(=O)c1cc(C(=O)NCC2(C)CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000272496027 443339630 /nfs/dbraw/zinc/33/96/30/443339630.db2.gz FWRILVOZUVSOLA-UHFFFAOYSA-N 1 0 349.387 1.843 20 5 EDBDRO CC[NH+](CC)[C@@H](C)CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000267164338 443363546 /nfs/dbraw/zinc/36/35/46/443363546.db2.gz AVCWSEKXHKKJIN-JTQLQIEISA-N 1 0 330.410 1.384 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272582585 443371000 /nfs/dbraw/zinc/37/10/00/443371000.db2.gz GXBKKCBWNBGZFJ-UKRRQHHQSA-N 1 0 333.388 1.916 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)[C@H]2C1 ZINC000272661948 443400660 /nfs/dbraw/zinc/40/06/60/443400660.db2.gz ROQJJSJKSDUKJI-MFKMUULPSA-N 1 0 333.344 1.490 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000272830323 443459550 /nfs/dbraw/zinc/45/95/50/443459550.db2.gz KWKJBNIDTUEBLQ-SECBINFHSA-N 1 0 333.435 1.448 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC2(CC1)OCCO2 ZINC000272975342 443508262 /nfs/dbraw/zinc/50/82/62/443508262.db2.gz CGCOHQGQEUQDCS-ZDUSSCGKSA-N 1 0 338.360 1.173 20 5 EDBDRO COc1cc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000273040028 443525945 /nfs/dbraw/zinc/52/59/45/443525945.db2.gz WACGUKQLRUMDCX-NSHDSACASA-N 1 0 349.387 1.992 20 5 EDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(CCC(N)=O)CC1 ZINC000271236735 443497306 /nfs/dbraw/zinc/49/73/06/443497306.db2.gz NGDHAAZENRLTPR-GFCCVEGCSA-N 1 0 348.403 1.899 20 5 EDBDRO CNC(=O)CC[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272379660 443608066 /nfs/dbraw/zinc/60/80/66/443608066.db2.gz HMIPASCHEBVDPH-UHFFFAOYSA-N 1 0 347.318 1.473 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C(N)=O ZINC000286166372 443660151 /nfs/dbraw/zinc/66/01/51/443660151.db2.gz MEWMKQIEDMPBTB-BXKDBHETSA-N 1 0 331.332 1.198 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000449183348 320177064 /nfs/dbraw/zinc/17/70/64/320177064.db2.gz CPMKUELMXRDRCH-UONOGXRCSA-N 1 0 333.388 1.822 20 5 EDBDRO [NH3+]CC[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(F)F ZINC000449614458 320194728 /nfs/dbraw/zinc/19/47/28/320194728.db2.gz VTLIILJUOYVKSG-LLVKDONJSA-N 1 0 328.319 1.881 20 5 EDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000449727286 320202539 /nfs/dbraw/zinc/20/25/39/320202539.db2.gz PDSRNRCQKNNPRU-WDEREUQCSA-N 1 0 330.348 1.033 20 5 EDBDRO CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000449744980 320204049 /nfs/dbraw/zinc/20/40/49/320204049.db2.gz KNFUQLIIWMGWOZ-UHFFFAOYSA-N 1 0 336.436 1.806 20 5 EDBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@@H](C)C1 ZINC000452121567 320243119 /nfs/dbraw/zinc/24/31/19/320243119.db2.gz KNHKYAQQTMJNED-COPLHBTASA-N 1 0 334.376 1.498 20 5 EDBDRO Cn1cncc1[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000276232417 443673010 /nfs/dbraw/zinc/67/30/10/443673010.db2.gz KBPPVEMZCVVXQG-SWLSCSKDSA-N 1 0 330.344 1.978 20 5 EDBDRO COCCOCCOCC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000276245249 443675935 /nfs/dbraw/zinc/67/59/35/443675935.db2.gz MRAVQJGKXRBBBP-UHFFFAOYSA-N 1 0 326.393 1.749 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)n1 ZINC000286363859 443698353 /nfs/dbraw/zinc/69/83/53/443698353.db2.gz NIYFTMASDFCJGM-NEPJUHHUSA-N 1 0 334.376 1.839 20 5 EDBDRO O=C1NC(=O)C2(CCC([NH2+]CCc3ccccc3[N+](=O)[O-])CC2)N1 ZINC000517146037 320446885 /nfs/dbraw/zinc/44/68/85/320446885.db2.gz WRGPAHMLNSPOGU-UHFFFAOYSA-N 1 0 332.360 1.248 20 5 EDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000521041531 320481781 /nfs/dbraw/zinc/48/17/81/320481781.db2.gz OROXCUNBPSMVBV-LLVKDONJSA-N 1 0 339.417 1.388 20 5 EDBDRO COC(=O)[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000280519724 443734246 /nfs/dbraw/zinc/73/42/46/443734246.db2.gz DSNXPYBARVHCSS-ZWNOBZJWSA-N 1 0 346.343 1.886 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000298274607 443736056 /nfs/dbraw/zinc/73/60/56/443736056.db2.gz WVIFUCWMFNFZFT-UHFFFAOYSA-N 1 0 348.403 1.784 20 5 EDBDRO CC(C)[N@H+](C)CCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000298366198 443754370 /nfs/dbraw/zinc/75/43/70/443754370.db2.gz CGMFAOOBSUMHPP-UHFFFAOYSA-N 1 0 346.391 1.636 20 5 EDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000281120883 443825240 /nfs/dbraw/zinc/82/52/40/443825240.db2.gz HLUYKMVKPOUJEQ-LBPRGKRZSA-N 1 0 336.392 1.945 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCCCC[NH+]1CCOCC1 ZINC000298808763 443873912 /nfs/dbraw/zinc/87/39/12/443873912.db2.gz NYKXHJZDJVHVOV-UHFFFAOYSA-N 1 0 337.376 1.202 20 5 EDBDRO C[NH+]1CCN(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000298809096 443874290 /nfs/dbraw/zinc/87/42/90/443874290.db2.gz ODKCAGYJJRMHIU-UHFFFAOYSA-N 1 0 332.360 1.318 20 5 EDBDRO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285154466 443876070 /nfs/dbraw/zinc/87/60/70/443876070.db2.gz MJQONQCNJNOHFJ-QWRGUYRKSA-N 1 0 342.421 1.109 20 5 EDBDRO C[C@H]1[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000288428335 443878056 /nfs/dbraw/zinc/87/80/56/443878056.db2.gz XTVPWSMCVOJHKM-BBRMVZONSA-N 1 0 343.387 1.571 20 5 EDBDRO O=C(C[N@H+]1CCC[C@@H](CO)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000293048847 443912150 /nfs/dbraw/zinc/91/21/50/443912150.db2.gz HQEOJHBAJQBGGK-CYBMUJFWSA-N 1 0 333.388 1.578 20 5 EDBDRO Cc1cc(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c(N)c([N+](=O)[O-])c1 ZINC000281727175 443990281 /nfs/dbraw/zinc/99/02/81/443990281.db2.gz IXSZGPNBNZOCHJ-UHFFFAOYSA-N 1 0 349.435 1.241 20 5 EDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289100434 444052966 /nfs/dbraw/zinc/05/29/66/444052966.db2.gz CEXDTZWOSYDABH-INIZCTEOSA-N 1 0 329.360 1.687 20 5 EDBDRO Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000553094003 320935722 /nfs/dbraw/zinc/93/57/22/320935722.db2.gz RPBQUTAVHCCRGA-RISCZKNCSA-N 1 0 334.376 1.727 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C)cccc1[N+](=O)[O-] ZINC000282044147 444070785 /nfs/dbraw/zinc/07/07/85/444070785.db2.gz ATTIOLGYCWGXRV-MDZLAQPJSA-N 1 0 334.376 1.487 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccsc1 ZINC000278006591 444081925 /nfs/dbraw/zinc/08/19/25/444081925.db2.gz YBMFEDVHLDTIHM-LBPRGKRZSA-N 1 0 336.373 1.790 20 5 EDBDRO C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000562986629 321084911 /nfs/dbraw/zinc/08/49/11/321084911.db2.gz QLIPGNYZJYYJAI-CTASWTNQSA-N 1 0 339.440 1.108 20 5 EDBDRO CC(=O)NC1CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000562988556 321085429 /nfs/dbraw/zinc/08/54/29/321085429.db2.gz YRGVRFLYADUFMO-UHFFFAOYSA-N 1 0 348.403 1.960 20 5 EDBDRO CC[C@@H]1C[N@H+](C)CCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000564881095 321153942 /nfs/dbraw/zinc/15/39/42/321153942.db2.gz NZBQAUVMUAXKMY-CYBMUJFWSA-N 1 0 348.403 1.919 20 5 EDBDRO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000565538286 321190275 /nfs/dbraw/zinc/19/02/75/321190275.db2.gz CVIGKGVURDRILH-MRXNPFEDSA-N 1 0 347.396 1.842 20 5 EDBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000566211738 321222563 /nfs/dbraw/zinc/22/25/63/321222563.db2.gz JNMQHUKKBWGLIJ-NSHDSACASA-N 1 0 343.286 1.093 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000566973892 321237865 /nfs/dbraw/zinc/23/78/65/321237865.db2.gz PHIWLNXFAQVIBS-UHFFFAOYSA-N 1 0 348.359 1.214 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000299635554 444102112 /nfs/dbraw/zinc/10/21/12/444102112.db2.gz KGSWJJJSAKDFIR-GFCCVEGCSA-N 1 0 346.387 1.608 20 5 EDBDRO COC(=O)Cc1ccc(NCC[N@@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000294899743 444156407 /nfs/dbraw/zinc/15/64/07/444156407.db2.gz GYACHCYSQRICRD-UHFFFAOYSA-N 1 0 337.376 1.445 20 5 EDBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])cc3OC(F)F)C[C@H]21 ZINC000302226851 444209782 /nfs/dbraw/zinc/20/97/82/444209782.db2.gz PYMKFAAKOFGOFO-YPMHNXCESA-N 1 0 329.303 1.715 20 5 EDBDRO C[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@H]1c1ccc(F)cc1 ZINC000301817405 444191967 /nfs/dbraw/zinc/19/19/67/444191967.db2.gz FDBVWELGJJLTOZ-DGCLKSJQSA-N 1 0 332.339 1.963 20 5 EDBDRO COc1cc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000301971430 444198756 /nfs/dbraw/zinc/19/87/56/444198756.db2.gz SIQRNFJBWZCLSG-HNNXBMFYSA-N 1 0 348.403 1.522 20 5 EDBDRO C[C@H](CO[C@H]1CCOC1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000577055479 321619141 /nfs/dbraw/zinc/61/91/41/321619141.db2.gz ODRXRBFMDXXKQS-XPKDYRNWSA-N 1 0 340.376 1.118 20 5 EDBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000303043298 444232974 /nfs/dbraw/zinc/23/29/74/444232974.db2.gz WTATWLGUUWPXGL-TUAOUCFPSA-N 1 0 336.392 1.792 20 5 EDBDRO CC1=CCN(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000577276164 321638789 /nfs/dbraw/zinc/63/87/89/321638789.db2.gz UQAIZODYEBSFQN-OAHLLOKOSA-N 1 0 335.404 1.576 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)c1[N+](=O)[O-] ZINC000577645823 321670598 /nfs/dbraw/zinc/67/05/98/321670598.db2.gz SDCOTNGTQMJNMJ-NEPJUHHUSA-N 1 0 327.406 1.712 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC[C@H]1[NH3+] ZINC000322366506 444339729 /nfs/dbraw/zinc/33/97/29/444339729.db2.gz COLROBVVBIDMOR-TZMCWYRMSA-N 1 0 341.433 1.960 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000297782676 444333992 /nfs/dbraw/zinc/33/39/92/444333992.db2.gz WHPHQEMAETXNFM-MRXNPFEDSA-N 1 0 336.392 1.721 20 5 EDBDRO CC1CC[NH+](CCN2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000298101432 444415952 /nfs/dbraw/zinc/41/59/52/444415952.db2.gz NMJRCHNJPHTPKT-UHFFFAOYSA-N 1 0 333.436 1.844 20 5 EDBDRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000579239091 321906175 /nfs/dbraw/zinc/90/61/75/321906175.db2.gz IXDQSYVWXHKBDX-IUODEOHRSA-N 1 0 339.417 1.596 20 5 EDBDRO C[C@@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000580808384 322096866 /nfs/dbraw/zinc/09/68/66/322096866.db2.gz FRQRLDJYDOQFLW-HUUCEWRRSA-N 1 0 347.415 1.879 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000581954627 322238301 /nfs/dbraw/zinc/23/83/01/322238301.db2.gz FIVPPAPADYYKSA-RYUDHWBXSA-N 1 0 327.406 1.488 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2C[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000342235303 444579800 /nfs/dbraw/zinc/57/98/00/444579800.db2.gz QJMYUFBAHQVKOZ-UWVGGRQHSA-N 1 0 330.287 1.890 20 5 EDBDRO COc1ccc(C[NH2+][C@@H](CCSC)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000342318619 444627424 /nfs/dbraw/zinc/62/74/24/444627424.db2.gz HMPFZDWUTKVROO-LBPRGKRZSA-N 1 0 341.433 1.903 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000344019336 444731856 /nfs/dbraw/zinc/73/18/56/444731856.db2.gz FRCGZOKXNKTPIY-GHJWDPDVSA-N 1 0 349.387 1.635 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000334004206 444744303 /nfs/dbraw/zinc/74/43/03/444744303.db2.gz NXOWDLNADRWCSY-AGIUHOORSA-N 1 0 348.403 1.264 20 5 EDBDRO C[C@@H]1[C@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCCN1C ZINC000342738859 444842378 /nfs/dbraw/zinc/84/23/78/444842378.db2.gz OGCMGLGXCVGFOP-WQVCFCJDSA-N 1 0 332.404 1.772 20 5 EDBDRO Cn1nccc1[C@@H]1[C@H](CNc2ccc([N+](=O)[O-])cn2)CCC[N@@H+]1C ZINC000344443424 444975412 /nfs/dbraw/zinc/97/54/12/444975412.db2.gz CDZKHQXIWGZAJV-LRDDRELGSA-N 1 0 330.392 2.218 20 5 EDBDRO COc1cc(C(=O)N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)ccc1[N+](=O)[O-] ZINC000344502953 445017248 /nfs/dbraw/zinc/01/72/48/445017248.db2.gz CJLQUOZWDRTINJ-STQMWFEESA-N 1 0 337.376 1.395 20 5 EDBDRO COc1ccc(C(=O)N(C)C[C@@H]2C[C@@H](OC)C[N@H+]2C)cc1[N+](=O)[O-] ZINC000344503576 445018897 /nfs/dbraw/zinc/01/88/97/445018897.db2.gz FJBPXTRXAIPERB-QWHCGFSZSA-N 1 0 337.376 1.395 20 5 EDBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000330611277 445060850 /nfs/dbraw/zinc/06/08/50/445060850.db2.gz PTEQVSCTNGVAHE-ZIAGYGMSSA-N 1 0 345.396 1.684 20 5 EDBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000330613449 445061886 /nfs/dbraw/zinc/06/18/86/445061886.db2.gz SCRKVCZIXJXVFF-WDEREUQCSA-N 1 0 333.435 1.606 20 5 EDBDRO C[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000330665323 445087104 /nfs/dbraw/zinc/08/71/04/445087104.db2.gz GXBNSFSWRKCKKF-SNVBAGLBSA-N 1 0 326.784 1.823 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)C(=O)NCCF ZINC000337482117 445099512 /nfs/dbraw/zinc/09/95/12/445099512.db2.gz RBXRFNXKYVVPOC-GHMZBOCLSA-N 1 0 340.355 1.376 20 5 EDBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000330871120 445174395 /nfs/dbraw/zinc/17/43/95/445174395.db2.gz QWZBTMFUBAIXKJ-GFCCVEGCSA-N 1 0 327.406 1.605 20 5 EDBDRO CN(CC[NH+]1CCCC1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000343430279 445221407 /nfs/dbraw/zinc/22/14/07/445221407.db2.gz AZOZIBAUHFWXRQ-UHFFFAOYSA-N 1 0 343.387 1.948 20 5 EDBDRO C[C@@H]1[C@@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343533285 445239709 /nfs/dbraw/zinc/23/97/09/445239709.db2.gz WPPJUAVMSVRUSZ-YPMHNXCESA-N 1 0 344.375 1.388 20 5 EDBDRO CO[C@@H]1C[C@H](CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)[N@H+](C)C1 ZINC000343579585 445249883 /nfs/dbraw/zinc/24/98/83/445249883.db2.gz KDNFLUGJDQBGRD-VXGBXAGGSA-N 1 0 340.355 1.917 20 5 EDBDRO CN(CC(=O)NCC1CCC(C[NH3+])CC1)c1ccccc1[N+](=O)[O-] ZINC000343598795 445257695 /nfs/dbraw/zinc/25/76/95/445257695.db2.gz CXYLMIXMZJPOMF-UHFFFAOYSA-N 1 0 334.420 1.912 20 5 EDBDRO COc1ccc(CNC(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343644877 445279352 /nfs/dbraw/zinc/27/93/52/445279352.db2.gz BHZZOQADOJJDKG-AAEUAGOBSA-N 1 0 336.392 1.885 20 5 EDBDRO [NH3+]CC1CCC(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000343645891 445280061 /nfs/dbraw/zinc/28/00/61/445280061.db2.gz RTAYSOIMARCRAS-UHFFFAOYSA-N 1 0 331.376 1.966 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351862454 445346549 /nfs/dbraw/zinc/34/65/49/445346549.db2.gz PAKQUUAPMIRBQJ-NWDGAFQWSA-N 1 0 336.392 1.601 20 5 EDBDRO O=C1[C@H](N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000357070328 445406053 /nfs/dbraw/zinc/40/60/53/445406053.db2.gz ATINOBDPSOFFNZ-XJKCOSOUSA-N 1 0 330.388 1.241 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCN(c2ccnn2C)C1=O ZINC000359795537 445431914 /nfs/dbraw/zinc/43/19/14/445431914.db2.gz IFIHNNFNPFEAAG-OAHLLOKOSA-N 1 0 343.387 1.922 20 5 EDBDRO C[C@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1[NH+](C)C ZINC000362627047 445469105 /nfs/dbraw/zinc/46/91/05/445469105.db2.gz IUXMYEVCJZCSJD-FZMZJTMJSA-N 1 0 349.387 1.317 20 5 EDBDRO CN1C(=O)N[C@@]2(CCN(Cc3c(Cl)cccc3[N+](=O)[O-])C2)C1=O ZINC000352886120 445562800 /nfs/dbraw/zinc/56/28/00/445562800.db2.gz FQEGFLIBYKVSRU-CQSZACIVSA-N 1 0 338.751 1.374 20 5 EDBDRO O=C1CNCCN1[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000362824721 445567228 /nfs/dbraw/zinc/56/72/28/445567228.db2.gz BKBFFDSZNPZAGP-MRXNPFEDSA-N 1 0 332.404 1.034 20 5 EDBDRO C[C@H](CCNc1ncc([N+](=O)[O-])c(N)n1)[N@H+](C)Cc1ccccc1 ZINC000353451612 445608091 /nfs/dbraw/zinc/60/80/91/445608091.db2.gz SZKKZEPOWBTBPF-GFCCVEGCSA-N 1 0 330.392 1.711 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000356097750 445619346 /nfs/dbraw/zinc/61/93/46/445619346.db2.gz PLNWBDQVCQCRBX-CYBMUJFWSA-N 1 0 335.339 1.500 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000356223526 445684590 /nfs/dbraw/zinc/68/45/90/445684590.db2.gz OCJZUNHXXSZKAZ-UHFFFAOYSA-N 1 0 335.339 1.459 20 5 EDBDRO C[NH+](C)CCN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000356274215 445712261 /nfs/dbraw/zinc/71/22/61/445712261.db2.gz FTMFCFNXIQTWLE-UHFFFAOYSA-N 1 0 348.403 1.267 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360547900 445712887 /nfs/dbraw/zinc/71/28/87/445712887.db2.gz SBURKFTYQPZBGP-CYBMUJFWSA-N 1 0 345.808 1.622 20 5 EDBDRO C[C@@H](CC[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000349952793 445732132 /nfs/dbraw/zinc/73/21/32/445732132.db2.gz RKTUYDURFYTMOB-QMMMGPOBSA-N 1 0 330.182 1.753 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2C=C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000353768205 445745730 /nfs/dbraw/zinc/74/57/30/445745730.db2.gz NMGAEENDKLITQY-QWHCGFSZSA-N 1 0 336.344 1.173 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000356473329 445809773 /nfs/dbraw/zinc/80/97/73/445809773.db2.gz DRIUHYAHDBKYTK-ZDUSSCGKSA-N 1 0 331.376 1.231 20 5 EDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)nc1 ZINC000363887234 445881763 /nfs/dbraw/zinc/88/17/63/445881763.db2.gz SYRZWKOAFWDOQB-AWEZNQCLSA-N 1 0 328.376 2.104 20 5 EDBDRO CCOCCN1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@H]1C ZINC000356573797 445865258 /nfs/dbraw/zinc/86/52/58/445865258.db2.gz HHAXCUJBHXUBNH-GFCCVEGCSA-N 1 0 337.376 1.483 20 5 EDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000372952082 445941091 /nfs/dbraw/zinc/94/10/91/445941091.db2.gz GWVIDWGFUNCEBB-CZUORRHYSA-N 1 0 332.404 1.997 20 5 EDBDRO CC[NH+](CC)C[C@H](C)Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000350737405 445892824 /nfs/dbraw/zinc/89/28/24/445892824.db2.gz PKXWKCVHEATEPK-JTQLQIEISA-N 1 0 330.410 1.384 20 5 EDBDRO O=[N+]([O-])c1ccc(OCCN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000369263276 446029514 /nfs/dbraw/zinc/02/95/14/446029514.db2.gz DMRHIANYIUHMDT-IRXDYDNUSA-N 1 0 335.404 1.505 20 5 EDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000359201861 446030148 /nfs/dbraw/zinc/03/01/48/446030148.db2.gz BCYNWRVPJJSQDJ-CQSZACIVSA-N 1 0 343.387 1.995 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000583871508 326157086 /nfs/dbraw/zinc/15/70/86/326157086.db2.gz LTPZNKGFDWBWJN-OCCSQVGLSA-N 1 0 341.433 1.953 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000583982652 326176894 /nfs/dbraw/zinc/17/68/94/326176894.db2.gz OSBYPIJESLLVDW-QGZVFWFLSA-N 1 0 346.387 1.444 20 5 EDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000362016955 446156215 /nfs/dbraw/zinc/15/62/15/446156215.db2.gz BCWLVZXNSHYSGX-BYCMXARLSA-N 1 0 337.376 1.705 20 5 EDBDRO C[NH+]1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)(C(F)(F)F)CC1 ZINC000373667440 446295365 /nfs/dbraw/zinc/29/53/65/446295365.db2.gz PPMIKBGZMMPRMX-UHFFFAOYSA-N 1 0 349.313 1.324 20 5 EDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC000370435666 446278928 /nfs/dbraw/zinc/27/89/28/446278928.db2.gz BRPXQLPWCNQITQ-SMDDNHRTSA-N 1 0 344.375 1.683 20 5 EDBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)c1ccco1 ZINC000359537008 446280485 /nfs/dbraw/zinc/28/04/85/446280485.db2.gz FVDHAODXJWYVTQ-WDEREUQCSA-N 1 0 335.364 1.781 20 5 EDBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000359542746 446282648 /nfs/dbraw/zinc/28/26/48/446282648.db2.gz AWEBMXTXUBIGHW-UHFFFAOYSA-N 1 0 338.412 1.347 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)c1n[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC000373623730 446284000 /nfs/dbraw/zinc/28/40/00/446284000.db2.gz GUEULPUYQKDBGZ-CJNGLKHVSA-N 1 0 329.360 1.815 20 5 EDBDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000366684429 446308500 /nfs/dbraw/zinc/30/85/00/446308500.db2.gz KXBYWDPCCXBJOS-BQYQJAHWSA-N 1 0 347.415 1.913 20 5 EDBDRO COc1ccc2c(c1)[C@@H]([NH3+])CCN2C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000365713572 446311189 /nfs/dbraw/zinc/31/11/89/446311189.db2.gz SDJJJZJIGMYVCD-LBPRGKRZSA-N 1 0 345.359 1.696 20 5 EDBDRO CCc1ccc([C@H](CO)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000359623754 446325052 /nfs/dbraw/zinc/32/50/52/446325052.db2.gz FKJXPWQAKLZEFH-INIZCTEOSA-N 1 0 331.372 1.642 20 5 EDBDRO O=C(CCN1CCN2C(=O)OC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000370549252 446327945 /nfs/dbraw/zinc/32/79/45/446327945.db2.gz YITDYEOFVHFOKI-LLVKDONJSA-N 1 0 334.332 1.060 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000373937941 446343662 /nfs/dbraw/zinc/34/36/62/446343662.db2.gz KOXTYDGIPFCTEG-UHFFFAOYSA-N 1 0 333.388 1.979 20 5 EDBDRO CC[C@H]([NH3+])CNc1ccc(C(=O)N[C@@H](C)C(=O)OC)cc1[N+](=O)[O-] ZINC000420256106 446434880 /nfs/dbraw/zinc/43/48/80/446434880.db2.gz CGZPHTJDXWAVCA-ONGXEEELSA-N 1 0 338.364 1.035 20 5 EDBDRO COC(=O)[C@H](C)NC(=O)c1ccc(N[C@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000420266433 446440278 /nfs/dbraw/zinc/44/02/78/446440278.db2.gz QPQDGNSEECCWPV-BBBLOLIVSA-N 1 0 338.364 1.034 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCN([C@H]3CC[NH2+]C3)CC2)cc1OC(F)F ZINC000420271163 446441285 /nfs/dbraw/zinc/44/12/85/446441285.db2.gz ZQIIKWADLPYYBS-LBPRGKRZSA-N 1 0 342.346 1.680 20 5 EDBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC2)C1 ZINC000374806497 446401885 /nfs/dbraw/zinc/40/18/85/446401885.db2.gz MGEFSZBWGNVZPT-ZDUSSCGKSA-N 1 0 347.419 1.029 20 5 EDBDRO O=C1NC[C@@H]2[C@H]1CCCN2Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000366913286 446409365 /nfs/dbraw/zinc/40/93/65/446409365.db2.gz NKTZHHIQCAHDJO-CHWSQXEVSA-N 1 0 343.343 1.355 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000411363824 446508093 /nfs/dbraw/zinc/50/80/93/446508093.db2.gz UQECBRQLDVEQLB-CHWSQXEVSA-N 1 0 348.403 1.749 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000411404973 446523060 /nfs/dbraw/zinc/52/30/60/446523060.db2.gz XYWCGSVOQFWULV-AWEZNQCLSA-N 1 0 346.387 1.537 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420435401 446610137 /nfs/dbraw/zinc/61/01/37/446610137.db2.gz SMUUMUUUXLVUDV-SMDDNHRTSA-N 1 0 327.406 1.197 20 5 EDBDRO [NH3+]C[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCCO1 ZINC000420398805 446573501 /nfs/dbraw/zinc/57/35/01/446573501.db2.gz ZCMIYTCHTJECOV-HNNXBMFYSA-N 1 0 346.387 1.842 20 5 EDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000423594805 446593831 /nfs/dbraw/zinc/59/38/31/446593831.db2.gz OSGLXMGNSHOJMO-QWHCGFSZSA-N 1 0 348.403 1.431 20 5 EDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000423691581 446643479 /nfs/dbraw/zinc/64/34/79/446643479.db2.gz FCAQCULXQNJUGW-LLVKDONJSA-N 1 0 329.303 1.721 20 5 EDBDRO C[C@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000420447834 446623996 /nfs/dbraw/zinc/62/39/96/446623996.db2.gz JBCFAIMXLFNQJE-AAEUAGOBSA-N 1 0 327.406 1.136 20 5 EDBDRO CN(C(=O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000375279007 446690400 /nfs/dbraw/zinc/69/04/00/446690400.db2.gz DPNMXMFUPBZXPE-RHSMWYFYSA-N 1 0 346.387 1.204 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000375320148 446718477 /nfs/dbraw/zinc/71/84/77/446718477.db2.gz QZPMEISEGGXKOM-CQSZACIVSA-N 1 0 344.375 1.770 20 5 EDBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000423830746 446719454 /nfs/dbraw/zinc/71/94/54/446719454.db2.gz UOYRVZUUBOEHQM-ZDUSSCGKSA-N 1 0 337.424 1.979 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1F ZINC000411978492 446771091 /nfs/dbraw/zinc/77/10/91/446771091.db2.gz LIZWMCDFEFUXCV-SNVBAGLBSA-N 1 0 339.367 1.884 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]32)c1[N+](=O)[O-] ZINC000368313598 446779816 /nfs/dbraw/zinc/77/98/16/446779816.db2.gz WMYPDRFYTALDSH-NWDGAFQWSA-N 1 0 325.390 1.194 20 5 EDBDRO O=C1[C@H]([N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000412031498 446792739 /nfs/dbraw/zinc/79/27/39/446792739.db2.gz ATOSAHQUFSEMCL-UWWPHRKUSA-N 1 0 345.399 1.793 20 5 EDBDRO Cc1ccc(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)cc1[N+](=O)[O-] ZINC000424071758 446840442 /nfs/dbraw/zinc/84/04/42/446840442.db2.gz CBTYXZDCOCKCCC-GFCCVEGCSA-N 1 0 330.348 1.672 20 5 EDBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000424076029 446841928 /nfs/dbraw/zinc/84/19/28/446841928.db2.gz PXJZQELJRXYXHE-GMTAPVOTSA-N 1 0 331.376 1.917 20 5 EDBDRO COc1cc(OCC(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000423982008 446805605 /nfs/dbraw/zinc/80/56/05/446805605.db2.gz HSRCZWGZGZMSOD-BDJLRTHQSA-N 1 0 337.376 1.426 20 5 EDBDRO C[C@@H]1CCC[N@H+](CCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000439094563 446806086 /nfs/dbraw/zinc/80/60/86/446806086.db2.gz BTCMWVXJUCUMBC-LLVKDONJSA-N 1 0 331.376 2.387 20 5 EDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000419002008 446859177 /nfs/dbraw/zinc/85/91/77/446859177.db2.gz LWIJABYPMDOFEA-VXGBXAGGSA-N 1 0 347.375 1.536 20 5 EDBDRO Cc1c(CC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000368570620 446950186 /nfs/dbraw/zinc/95/01/86/446950186.db2.gz XFSBLSPBXOSEDD-IRXDYDNUSA-N 1 0 347.415 1.503 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000420988897 446966344 /nfs/dbraw/zinc/96/63/44/446966344.db2.gz BDQFZRCFKAZXHQ-KBPBESRZSA-N 1 0 336.388 1.714 20 5 EDBDRO CC[C@@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000419162757 446980570 /nfs/dbraw/zinc/98/05/70/446980570.db2.gz KPUHALGQUWXUAG-TZMCWYRMSA-N 1 0 334.376 1.030 20 5 EDBDRO CON1CCC([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000421212055 447069199 /nfs/dbraw/zinc/06/91/99/447069199.db2.gz WLISDBWRPCQPFG-LBPRGKRZSA-N 1 0 336.392 1.846 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000419240193 447025325 /nfs/dbraw/zinc/02/53/25/447025325.db2.gz BDYZCNPSXJVYEO-SCRDCRAPSA-N 1 0 348.403 1.337 20 5 EDBDRO CS[C@@H]1CC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000425341034 447121230 /nfs/dbraw/zinc/12/12/30/447121230.db2.gz FMSBSUJKXWYHRI-QWHCGFSZSA-N 1 0 345.446 1.357 20 5 EDBDRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000375818127 447077616 /nfs/dbraw/zinc/07/76/16/447077616.db2.gz VVFJSSFYTBRLSU-LSDHHAIUSA-N 1 0 332.404 1.752 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000375818759 447079307 /nfs/dbraw/zinc/07/93/07/447079307.db2.gz WZNMXAZUBMPCNZ-KBAYOESNSA-N 1 0 349.431 1.893 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000444176123 447089190 /nfs/dbraw/zinc/08/91/90/447089190.db2.gz NPHLLBJIMNGRSQ-UHFFFAOYSA-N 1 0 329.422 1.912 20 5 EDBDRO CNc1nc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000455552886 447165863 /nfs/dbraw/zinc/16/58/63/447165863.db2.gz LKMDDQXPSKRBLV-NSHDSACASA-N 1 0 333.392 1.778 20 5 EDBDRO O=C(CN1CC[C@@H](c2nnc[nH]2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000425551241 447226392 /nfs/dbraw/zinc/22/63/92/447226392.db2.gz QCTHXWRQRRJZLU-GFCCVEGCSA-N 1 0 342.359 1.092 20 5 EDBDRO O=C(C[NH2+][C@H](CO)[C@@H]1CCCO1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000447913532 447296999 /nfs/dbraw/zinc/29/69/99/447296999.db2.gz MLTMENCZFYPSBO-YPMHNXCESA-N 1 0 343.767 1.316 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H](CO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000446832246 447259037 /nfs/dbraw/zinc/25/90/37/447259037.db2.gz NVGRMCREJJJBFA-AWEZNQCLSA-N 1 0 340.376 1.643 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H](CO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000446832247 447259067 /nfs/dbraw/zinc/25/90/67/447259067.db2.gz NVGRMCREJJJBFA-CQSZACIVSA-N 1 0 340.376 1.643 20 5 EDBDRO CNc1nc(C(=O)N(CC[NH+](C)C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000455930504 447260488 /nfs/dbraw/zinc/26/04/88/447260488.db2.gz ILGRHHMILPVUFP-UHFFFAOYSA-N 1 0 347.375 1.829 20 5 EDBDRO C[C@H](C[NH+]1CCN(C)CC1)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450316582 447452072 /nfs/dbraw/zinc/45/20/72/447452072.db2.gz HSMDWGPASHHANY-CYBMUJFWSA-N 1 0 329.404 2.191 20 5 EDBDRO C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N(C)Cc1ccccc1 ZINC000390633263 447497137 /nfs/dbraw/zinc/49/71/37/447497137.db2.gz AYCHVQDYEHIZAA-RHSMWYFYSA-N 1 0 347.419 1.262 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC([NH3+])(CC)CC ZINC000415485069 447473372 /nfs/dbraw/zinc/47/33/72/447473372.db2.gz IQGSVBHPATYDGZ-UHFFFAOYSA-N 1 0 336.392 1.729 20 5 EDBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000403986309 447589463 /nfs/dbraw/zinc/58/94/63/447589463.db2.gz HMQCCASCIOYKKT-DGCLKSJQSA-N 1 0 325.752 1.451 20 5 EDBDRO CNC(=O)c1ccc(NC[C@H]2CCCC[N@@H+]2CCO)c([N+](=O)[O-])c1 ZINC000450613251 447537607 /nfs/dbraw/zinc/53/76/07/447537607.db2.gz LGYGROKHELMNSR-CYBMUJFWSA-N 1 0 336.392 1.213 20 5 EDBDRO C[NH+](C)CCOCCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000450649624 447548110 /nfs/dbraw/zinc/54/81/10/447548110.db2.gz JNRKXUKGENTEMK-UHFFFAOYSA-N 1 0 347.375 1.293 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)c1C ZINC000416499103 447626658 /nfs/dbraw/zinc/62/66/58/447626658.db2.gz ZSPAWMJNTRDGCM-LBPRGKRZSA-N 1 0 327.406 1.442 20 5 EDBDRO C[N@H+](CCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000416503043 447629448 /nfs/dbraw/zinc/62/94/48/447629448.db2.gz UDBJPTPADJWJRQ-UHFFFAOYSA-N 1 0 327.406 1.748 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC1(COC)CC[NH2+]CC1 ZINC000420242501 447683378 /nfs/dbraw/zinc/68/33/78/447683378.db2.gz NWLRGNCJQMINKM-UHFFFAOYSA-N 1 0 336.392 1.383 20 5 EDBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCC[C@H]1CCC[NH2+]C1 ZINC000429216066 447736539 /nfs/dbraw/zinc/73/65/39/447736539.db2.gz NZPSPFDCZKOIRH-CYBMUJFWSA-N 1 0 348.403 1.221 20 5 EDBDRO C[C@H]1C[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000555345766 448073452 /nfs/dbraw/zinc/07/34/52/448073452.db2.gz WKGFUJMTGNTROU-STQMWFEESA-N 1 0 336.392 1.609 20 5 EDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1 ZINC000500409388 448087127 /nfs/dbraw/zinc/08/71/27/448087127.db2.gz JZFRTVSWBSNDQD-GLQYFDAESA-N 1 0 343.387 1.590 20 5 EDBDRO O=C(NCC(F)(F)F)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000531342907 448066241 /nfs/dbraw/zinc/06/62/41/448066241.db2.gz IEHVUMXJQKQVSS-UHFFFAOYSA-N 1 0 349.313 1.182 20 5 EDBDRO C[C@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)C[NH+]1CCCC1 ZINC000525960587 448066833 /nfs/dbraw/zinc/06/68/33/448066833.db2.gz IMHAXECLGXORJR-LLVKDONJSA-N 1 0 342.421 1.386 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000531821408 448153045 /nfs/dbraw/zinc/15/30/45/448153045.db2.gz KHUOTFVGOZEXPP-YGRLFVJLSA-N 1 0 347.371 1.579 20 5 EDBDRO C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000531823193 448153578 /nfs/dbraw/zinc/15/35/78/448153578.db2.gz DDFZHQPFGHDDGF-JTQLQIEISA-N 1 0 330.410 1.244 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C[C@@H]21 ZINC000571779800 448205059 /nfs/dbraw/zinc/20/50/59/448205059.db2.gz UTPSXUPRXKYMAX-TVYUQYBPSA-N 1 0 329.360 1.807 20 5 EDBDRO CN(CCN1CCCC1=O)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000532572341 448274899 /nfs/dbraw/zinc/27/48/99/448274899.db2.gz DFGFMNDFIRWQKH-UHFFFAOYSA-N 1 0 346.387 1.038 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000591303917 448314496 /nfs/dbraw/zinc/31/44/96/448314496.db2.gz GLIBUNBFSDUQJW-OCCSQVGLSA-N 1 0 348.403 1.682 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cnc2c(c1)C[NH2+]CC2 ZINC000591310961 448319031 /nfs/dbraw/zinc/31/90/31/448319031.db2.gz URKDYYKNFVSRQT-UHFFFAOYSA-N 1 0 341.371 2.000 20 5 EDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492764101 448283783 /nfs/dbraw/zinc/28/37/83/448283783.db2.gz PBKDAOJFZRKQLK-CKXPSTMWSA-N 1 0 347.415 1.912 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000577408982 448292236 /nfs/dbraw/zinc/29/22/36/448292236.db2.gz MLPICFMRAAVLNW-CUOATXAZSA-N 1 0 337.376 1.679 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC000591449349 448368094 /nfs/dbraw/zinc/36/80/94/448368094.db2.gz VYJXHUNYDIAIHP-HUBLWGQQSA-N 1 0 348.403 1.614 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[C@@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000577883968 448410949 /nfs/dbraw/zinc/41/09/49/448410949.db2.gz ZVCDQPFPPGHQJY-VXGBXAGGSA-N 1 0 336.392 1.744 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[C@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000577883967 448411707 /nfs/dbraw/zinc/41/17/07/448411707.db2.gz ZVCDQPFPPGHQJY-RYUDHWBXSA-N 1 0 336.392 1.744 20 5 EDBDRO C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@H]1C[NH3+] ZINC000591676567 448445332 /nfs/dbraw/zinc/44/53/32/448445332.db2.gz XVLSRFWYWNRRRN-GWCFXTLKSA-N 1 0 335.360 1.565 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+]CC2(C)C)cc1OC ZINC000591678349 448445886 /nfs/dbraw/zinc/44/58/86/448445886.db2.gz PZEOIPXBAUIOFR-UHFFFAOYSA-N 1 0 337.376 1.826 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@@H+](C2CC2)C1 ZINC000578114487 448463879 /nfs/dbraw/zinc/46/38/79/448463879.db2.gz HXOCJTRMYPHHBA-NSHDSACASA-N 1 0 347.371 1.880 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)C2CC[NH2+]CC2)c(C)cc1[N+](=O)[O-] ZINC000516787125 448475663 /nfs/dbraw/zinc/47/56/63/448475663.db2.gz MXPJFJMAKKHOMR-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000591749487 448479815 /nfs/dbraw/zinc/47/98/15/448479815.db2.gz ZNLHRAYWGSPWGA-XJKCOSOUSA-N 1 0 335.404 1.549 20 5 EDBDRO C[C@@H]1CN(C[C@@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000591744674 448480758 /nfs/dbraw/zinc/48/07/58/448480758.db2.gz WUMBVBPRROOEDF-FMKPAKJESA-N 1 0 337.420 1.197 20 5 EDBDRO NC(=O)c1coc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000584331018 448484743 /nfs/dbraw/zinc/48/47/43/448484743.db2.gz VTGYDBRFKCXDED-STQMWFEESA-N 1 0 333.348 1.757 20 5 EDBDRO COc1cc(C(=O)NC[C@@H](C)[NH+]2CCCC2)c([N+](=O)[O-])cc1F ZINC000573194640 448564979 /nfs/dbraw/zinc/56/49/79/448564979.db2.gz MYXYBODWJQZUGI-SNVBAGLBSA-N 1 0 325.340 1.957 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccnc(NC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000573385254 448614150 /nfs/dbraw/zinc/61/41/50/448614150.db2.gz SQGYLKADNIRZGS-AAEUAGOBSA-N 1 0 335.408 1.834 20 5 EDBDRO CC(C)Oc1nc(N[C@H]2CCC[N@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000584790897 448634634 /nfs/dbraw/zinc/63/46/34/448634634.db2.gz XAERCXRBMVCKSW-ZDUSSCGKSA-N 1 0 338.408 2.036 20 5 EDBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000567454271 448697122 /nfs/dbraw/zinc/69/71/22/448697122.db2.gz VLPWBBZUYUAUGR-WFASDCNBSA-N 1 0 336.392 1.790 20 5 EDBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000592246946 448761710 /nfs/dbraw/zinc/76/17/10/448761710.db2.gz MZABNXLSIZFKFE-JSGCOSHPSA-N 1 0 341.371 1.605 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000592382271 448814996 /nfs/dbraw/zinc/81/49/96/448814996.db2.gz MLTMQQKVYPAVCI-GXTWGEPZSA-N 1 0 341.433 1.905 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[NH2+][C@@H](C(C)C)C2)c1C ZINC000592378768 448811130 /nfs/dbraw/zinc/81/11/30/448811130.db2.gz BYUYZRQHCBEMGL-CQSZACIVSA-N 1 0 341.433 1.830 20 5 EDBDRO Cn1cc(C(=O)N[C@@H]2CCC[NH2+]CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592329881 448793423 /nfs/dbraw/zinc/79/34/23/448793423.db2.gz ATEYDXIQHQHNDI-CYBMUJFWSA-N 1 0 343.387 1.867 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592381894 448814658 /nfs/dbraw/zinc/81/46/58/448814658.db2.gz JGXXTUGEVTUYCI-OLZOCXBDSA-N 1 0 341.433 1.960 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)cc([N+](=O)[O-])c1 ZINC000592338163 448797247 /nfs/dbraw/zinc/79/72/47/448797247.db2.gz PURRHLKFMUNECL-CYBMUJFWSA-N 1 0 333.344 1.253 20 5 EDBDRO Cc1nn(C)c(C(=O)N[C@H](CCC[NH3+])c2ccccc2)c1[N+](=O)[O-] ZINC000592341152 448798711 /nfs/dbraw/zinc/79/87/11/448798711.db2.gz XWSXQBANPWWEME-CYBMUJFWSA-N 1 0 331.376 1.847 20 5 EDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)CCN1CC[NH2+]CC1 ZINC000592471993 448851660 /nfs/dbraw/zinc/85/16/60/448851660.db2.gz BUTZMCGURQHDPA-UHFFFAOYSA-N 1 0 336.436 1.719 20 5 EDBDRO C[C@@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC[N@@H+]1C ZINC000587985127 448850422 /nfs/dbraw/zinc/85/04/22/448850422.db2.gz WNLCQOIVXWROEG-MNOVXSKESA-N 1 0 333.392 1.680 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000574531416 448897178 /nfs/dbraw/zinc/89/71/78/448897178.db2.gz BWKCSEIAEDHWSX-TXEJJXNPSA-N 1 0 325.390 1.052 20 5 EDBDRO Cc1nn(CCC(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000592568217 448904555 /nfs/dbraw/zinc/90/45/55/448904555.db2.gz KGVZCSBEANTAIC-ZDUSSCGKSA-N 1 0 335.408 1.589 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc([N+](=O)[O-])c1 ZINC000592570834 448905564 /nfs/dbraw/zinc/90/55/64/448905564.db2.gz SIKMZNSEQYHRPW-CQSZACIVSA-N 1 0 347.371 1.786 20 5 EDBDRO CC(C)c1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000588830338 448936204 /nfs/dbraw/zinc/93/62/04/448936204.db2.gz XQJLHQQLORNTBW-OAHLLOKOSA-N 1 0 346.431 1.838 20 5 EDBDRO Cn1cc(CN(CCn2ccnc2)C(=O)c2ccc([N+](=O)[O-])o2)cn1 ZINC000568554507 448888529 /nfs/dbraw/zinc/88/85/29/448888529.db2.gz YGFZVNDBPRVZIO-UHFFFAOYSA-N 1 0 344.331 1.460 20 5 EDBDRO CNc1nccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1[N+](=O)[O-] ZINC000580568745 448952155 /nfs/dbraw/zinc/95/21/55/448952155.db2.gz OPJNCTFHHXLZON-OLZOCXBDSA-N 1 0 347.419 2.119 20 5 EDBDRO CCCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@H]1CC[N@H+](C)C1 ZINC000592832589 449008555 /nfs/dbraw/zinc/00/85/55/449008555.db2.gz UFXOZLYDTCZMFK-AWEZNQCLSA-N 1 0 337.424 1.741 20 5 EDBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000522037781 449045934 /nfs/dbraw/zinc/04/59/34/449045934.db2.gz PVCLPAFUKJFTHC-NSHDSACASA-N 1 0 330.410 1.389 20 5 EDBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000522188176 449061910 /nfs/dbraw/zinc/06/19/10/449061910.db2.gz FVNLQJXAZIWCCZ-CYBMUJFWSA-N 1 0 349.435 1.392 20 5 EDBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599939721 449118019 /nfs/dbraw/zinc/11/80/19/449118019.db2.gz YIFUAYLVDVPABM-RYUDHWBXSA-N 1 0 344.371 1.357 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000590282229 449124675 /nfs/dbraw/zinc/12/46/75/449124675.db2.gz ULTIIYWEPMGWTD-BXUZGUMPSA-N 1 0 332.360 1.004 20 5 EDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H](CO)C[NH+]1CCCCC1 ZINC000593701382 449152436 /nfs/dbraw/zinc/15/24/36/449152436.db2.gz HEUZVEZFFMRGBO-AWEZNQCLSA-N 1 0 339.367 1.239 20 5 EDBDRO C[C@]12COC[C@H]1C[N@@H+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000595759962 449152668 /nfs/dbraw/zinc/15/26/68/449152668.db2.gz RNAKLVGSPIGQGJ-VMGRFDJRSA-N 1 0 331.372 1.668 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2CCC(=O)N(C)CC2)cccc1[N+](=O)[O-] ZINC000595771810 449157641 /nfs/dbraw/zinc/15/76/41/449157641.db2.gz GDWJJFLPXFVWFI-UHFFFAOYSA-N 1 0 334.376 1.396 20 5 EDBDRO CCO[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C[NH3+] ZINC000593737324 449172256 /nfs/dbraw/zinc/17/22/56/449172256.db2.gz VQNGSEWGSZOZJM-IUODEOHRSA-N 1 0 336.392 1.137 20 5 EDBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000593187294 449162245 /nfs/dbraw/zinc/16/22/45/449162245.db2.gz HZIJDYPKIJKDHP-MXWKQRLJSA-N 1 0 335.360 1.877 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000590446438 449167089 /nfs/dbraw/zinc/16/70/89/449167089.db2.gz TZJDZZMEVKLMLZ-BBRMVZONSA-N 1 0 332.404 1.949 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593736931 449171970 /nfs/dbraw/zinc/17/19/70/449171970.db2.gz OHLGFFWZNVDJGI-GUYCJALGSA-N 1 0 332.404 1.903 20 5 EDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593736282 449170424 /nfs/dbraw/zinc/17/04/24/449170424.db2.gz LNNPHDXGZJUHTR-DCGLDWPTSA-N 1 0 332.404 1.983 20 5 EDBDRO CSc1ccc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000590371976 449138977 /nfs/dbraw/zinc/13/89/77/449138977.db2.gz RPRCBJJSGFMCTJ-GFCCVEGCSA-N 1 0 339.417 1.503 20 5 EDBDRO Nc1c(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000600007717 449146267 /nfs/dbraw/zinc/14/62/67/449146267.db2.gz YMVGKVPOOMXAKC-UHFFFAOYSA-N 1 0 348.403 1.504 20 5 EDBDRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000590398796 449147589 /nfs/dbraw/zinc/14/75/89/449147589.db2.gz ALQYRPYICSMIEH-HOTGVXAUSA-N 1 0 349.387 1.295 20 5 EDBDRO Cc1c(CC(=O)N2CC(C[NH+]3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000590398925 449147920 /nfs/dbraw/zinc/14/79/20/449147920.db2.gz BQLUZXZGVBWUEM-UHFFFAOYSA-N 1 0 346.431 1.152 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000590589072 449204812 /nfs/dbraw/zinc/20/48/12/449204812.db2.gz LKMLSBPPLDUOHI-PWSUYJOCSA-N 1 0 343.405 1.317 20 5 EDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000590550984 449184494 /nfs/dbraw/zinc/18/44/94/449184494.db2.gz URQCQZGPVKPKAX-QWHCGFSZSA-N 1 0 349.387 1.275 20 5 EDBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)Nc3ccncc3[N+](=O)[O-])C2)C1 ZINC000593762564 449185725 /nfs/dbraw/zinc/18/57/25/449185725.db2.gz BCPGIMPXSKZMPQ-YWPYICTPSA-N 1 0 349.391 1.162 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000590563914 449191947 /nfs/dbraw/zinc/19/19/47/449191947.db2.gz VSFONUWTLODSQX-OCCSQVGLSA-N 1 0 334.376 1.112 20 5 EDBDRO CNS(=O)(=O)c1ccc(N2C[C@H](C)[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000611256802 449240450 /nfs/dbraw/zinc/24/04/50/449240450.db2.gz GTHSINYBLCOHFW-WDEREUQCSA-N 1 0 342.421 1.032 20 5 EDBDRO COCC(=O)NC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000611261305 449241322 /nfs/dbraw/zinc/24/13/22/449241322.db2.gz LGMHNAGPLBBYTD-XQRVVYSFSA-N 1 0 333.388 1.835 20 5 EDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cc([N+](=O)[O-])cc3c1OCCO3)C2 ZINC000601974568 449256950 /nfs/dbraw/zinc/25/69/50/449256950.db2.gz KFDNLLSGQIIKIK-CALCHBBNSA-N 1 0 347.371 1.438 20 5 EDBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1nnnn1C ZINC000611327771 449263833 /nfs/dbraw/zinc/26/38/33/449263833.db2.gz SWBGFCFMFHMVBZ-NSHDSACASA-N 1 0 336.421 1.821 20 5 EDBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000595966473 449288137 /nfs/dbraw/zinc/28/81/37/449288137.db2.gz HAYIUSHWYFOWDZ-UKRRQHHQSA-N 1 0 332.335 1.938 20 5 EDBDRO C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000595982603 449297116 /nfs/dbraw/zinc/29/71/16/449297116.db2.gz JVSSIGGFBBGYJI-DOMZBBRYSA-N 1 0 348.403 1.232 20 5 EDBDRO C[N@@H+]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000611462233 449297792 /nfs/dbraw/zinc/29/77/92/449297792.db2.gz KOGYJNPLJYBRHV-ZDUSSCGKSA-N 1 0 348.403 1.255 20 5 EDBDRO [NH3+][C@@H]1CN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC[C@H]1F ZINC000596021829 449321367 /nfs/dbraw/zinc/32/13/67/449321367.db2.gz OCTCRZVEUUVHIR-GHMZBOCLSA-N 1 0 342.346 1.446 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@@H](C)CC[NH3+])c1 ZINC000593906790 449277374 /nfs/dbraw/zinc/27/73/74/449277374.db2.gz VDGNQDALGLXZJU-NSHDSACASA-N 1 0 331.376 1.615 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593910667 449280860 /nfs/dbraw/zinc/28/08/60/449280860.db2.gz ASLHSUZAJUGHBC-XEZPLFJOSA-N 1 0 348.403 1.657 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c1 ZINC000596067234 449345943 /nfs/dbraw/zinc/34/59/43/449345943.db2.gz WFOFGCACMDPLLI-SLBVQIDZSA-N 1 0 332.335 1.219 20 5 EDBDRO Nc1ccc(NCC2([NH+]3CCSCC3)CCCC2)nc1[N+](=O)[O-] ZINC000596074540 449349798 /nfs/dbraw/zinc/34/97/98/449349798.db2.gz ULDVIFZKUNDDET-UHFFFAOYSA-N 1 0 337.449 2.346 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000598343405 449358388 /nfs/dbraw/zinc/35/83/88/449358388.db2.gz UJTXBZOVFNAJRH-GFCCVEGCSA-N 1 0 344.375 1.390 20 5 EDBDRO CC1([NH+]2CCOCC2)CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000600408733 449360789 /nfs/dbraw/zinc/36/07/89/449360789.db2.gz AKKGQPRLSVFFGX-UHFFFAOYSA-N 1 0 333.388 1.922 20 5 EDBDRO Cn1cc(CN2CCOC3(C[NH2+]C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596104377 449363492 /nfs/dbraw/zinc/36/34/92/449363492.db2.gz DEIITBHKCIKBGF-UHFFFAOYSA-N 1 0 343.387 1.170 20 5 EDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596127625 449377403 /nfs/dbraw/zinc/37/74/03/449377403.db2.gz BNKYZBRZKAJYJO-LLVKDONJSA-N 1 0 342.421 1.020 20 5 EDBDRO COC[C@@](C)([NH3+])CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596129901 449378379 /nfs/dbraw/zinc/37/83/79/449378379.db2.gz ZWDQTALHCMDRLE-ZDUSSCGKSA-N 1 0 331.756 1.811 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C[NH+]1CCCCC1 ZINC000593533031 449328531 /nfs/dbraw/zinc/32/85/31/449328531.db2.gz ILJUDSJSJWCJEC-LBPRGKRZSA-N 1 0 342.421 1.390 20 5 EDBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000593535863 449332489 /nfs/dbraw/zinc/33/24/89/449332489.db2.gz GJECBDFTMMLKCV-UHFFFAOYSA-N 1 0 342.421 1.533 20 5 EDBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@H]1C ZINC000596178811 449399816 /nfs/dbraw/zinc/39/98/16/449399816.db2.gz SKZQCIKKFZZHAZ-GHMZBOCLSA-N 1 0 342.421 1.161 20 5 EDBDRO Nc1ccc(NCC2CCN(c3cc[nH+]cc3)CC2)nc1[N+](=O)[O-] ZINC000596184556 449401549 /nfs/dbraw/zinc/40/15/49/449401549.db2.gz MBYVWAJKHTWEDK-UHFFFAOYSA-N 1 0 328.376 2.296 20 5 EDBDRO C[NH+](C)C1(CNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CCC1 ZINC000596223135 449424459 /nfs/dbraw/zinc/42/44/59/449424459.db2.gz PZWUGRUHAAHBFX-UHFFFAOYSA-N 1 0 328.394 1.138 20 5 EDBDRO CC[C@@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@H](C)[NH2+]1 ZINC000598536579 449453110 /nfs/dbraw/zinc/45/31/10/449453110.db2.gz SSVKSGCXUHSHTN-GXTWGEPZSA-N 1 0 343.387 1.993 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000600669141 449483302 /nfs/dbraw/zinc/48/33/02/449483302.db2.gz HTCNYDFWEKXZBQ-IMRBUKKESA-N 1 0 325.390 1.084 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000600669433 449483407 /nfs/dbraw/zinc/48/34/07/449483407.db2.gz MEXLHUVYRHXNJX-YABSGUDNSA-N 1 0 325.390 1.084 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000598598928 449484494 /nfs/dbraw/zinc/48/44/94/449484494.db2.gz JTSYUVUWIRMKHH-GFCCVEGCSA-N 1 0 341.433 1.974 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598601682 449486020 /nfs/dbraw/zinc/48/60/20/449486020.db2.gz MNJCQMUENVPALP-CYBMUJFWSA-N 1 0 341.433 1.926 20 5 EDBDRO COC(=O)c1ccnc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000598606924 449489172 /nfs/dbraw/zinc/48/91/72/449489172.db2.gz GYBZRRIJWWFQCO-AAEUAGOBSA-N 1 0 334.376 1.697 20 5 EDBDRO CN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)C1(C[NH3+])CCC1 ZINC000598663944 449525922 /nfs/dbraw/zinc/52/59/22/449525922.db2.gz CGHVJTCOSIOIKA-UHFFFAOYSA-N 1 0 335.364 1.056 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCN2C2CCCC2)c1 ZINC000600755331 449535188 /nfs/dbraw/zinc/53/51/88/449535188.db2.gz JKRHCCZYBQVXND-IRXDYDNUSA-N 1 0 349.431 1.941 20 5 EDBDRO [NH3+][C@]12CCC[C@H]1CN(CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)C2 ZINC000598682150 449539134 /nfs/dbraw/zinc/53/91/34/449539134.db2.gz MEXIJSAEAIESBC-GUYCJALGSA-N 1 0 330.388 1.297 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594474061 449539161 /nfs/dbraw/zinc/53/91/61/449539161.db2.gz DBJYYVHTLKVABV-PHIMTYICSA-N 1 0 343.405 1.222 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598684982 449542982 /nfs/dbraw/zinc/54/29/82/449542982.db2.gz ZOWBYNDRXAEXCG-PXAZEXFGSA-N 1 0 348.403 1.745 20 5 EDBDRO CC(C)Oc1nc(NCCN2C[C@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596426489 449497107 /nfs/dbraw/zinc/49/71/07/449497107.db2.gz AQVWGYVUANRSBU-STQMWFEESA-N 1 0 338.408 2.298 20 5 EDBDRO O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000594438831 449518236 /nfs/dbraw/zinc/51/82/36/449518236.db2.gz MDHYYHAANSCJBW-RVSPLBMKSA-N 1 0 345.403 1.392 20 5 EDBDRO C[NH2+]CCOCCN(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000600724559 449519297 /nfs/dbraw/zinc/51/92/97/449519297.db2.gz BBBIPSBBZYYYKY-UHFFFAOYSA-N 1 0 335.364 1.313 20 5 EDBDRO CN(CCN1CC[NH2+]CC1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602430030 449580168 /nfs/dbraw/zinc/58/01/68/449580168.db2.gz UZQIYNRRGLBGJJ-UHFFFAOYSA-N 1 0 346.431 1.380 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000594502554 449558790 /nfs/dbraw/zinc/55/87/90/449558790.db2.gz KZWHKRTZYICUMA-MRXNPFEDSA-N 1 0 335.404 1.817 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598713940 449559251 /nfs/dbraw/zinc/55/92/51/449559251.db2.gz FCRFOHICRLQDHK-JQWIXIFHSA-N 1 0 327.406 1.488 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)c(C)c1[N+](=O)[O-] ZINC000598715686 449560194 /nfs/dbraw/zinc/56/01/94/449560194.db2.gz SCYNKWBMFRZAPO-LBPRGKRZSA-N 1 0 327.406 1.569 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598719709 449561880 /nfs/dbraw/zinc/56/18/80/449561880.db2.gz KGLWWSCZNXDMHD-SMDDNHRTSA-N 1 0 325.390 1.405 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600966159 449620009 /nfs/dbraw/zinc/62/00/09/449620009.db2.gz IQUTUYPJFYKNHE-CQSZACIVSA-N 1 0 336.392 1.164 20 5 EDBDRO COCC1(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000602492361 449630515 /nfs/dbraw/zinc/63/05/15/449630515.db2.gz QFTFTVIYBUNFGB-UHFFFAOYSA-N 1 0 325.340 1.480 20 5 EDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000602527840 449651934 /nfs/dbraw/zinc/65/19/34/449651934.db2.gz MKDLQYADNHNHNU-INIZCTEOSA-N 1 0 343.387 1.851 20 5 EDBDRO Cc1cncc(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000594731950 449655518 /nfs/dbraw/zinc/65/55/18/449655518.db2.gz HORXIPUWWVMNOA-AWEZNQCLSA-N 1 0 332.360 1.265 20 5 EDBDRO CN(CCOCC[NH3+])C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000602560360 449674899 /nfs/dbraw/zinc/67/48/99/449674899.db2.gz SUZVTZVJLMOGNO-UHFFFAOYSA-N 1 0 346.181 1.405 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598896202 449634134 /nfs/dbraw/zinc/63/41/34/449634134.db2.gz GKGPZMHNFFWMSC-CQSZACIVSA-N 1 0 349.391 1.269 20 5 EDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598895266 449634780 /nfs/dbraw/zinc/63/47/80/449634780.db2.gz XLDWZKJTSPIXBH-LBPRGKRZSA-N 1 0 349.391 1.174 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598905355 449641457 /nfs/dbraw/zinc/64/14/57/449641457.db2.gz SLTDLCDLJHUEOV-CQSZACIVSA-N 1 0 349.391 1.269 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000598916620 449645961 /nfs/dbraw/zinc/64/59/61/449645961.db2.gz GOQDHGGVQJZGIZ-WFASDCNBSA-N 1 0 346.387 1.524 20 5 EDBDRO CCOC1CC(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000602610571 449702942 /nfs/dbraw/zinc/70/29/42/449702942.db2.gz BTILIHMFRFQVBN-UHFFFAOYSA-N 1 0 342.417 1.773 20 5 EDBDRO O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602587835 449689535 /nfs/dbraw/zinc/68/95/35/449689535.db2.gz KBIAOGFBTOVOAY-IUCAKERBSA-N 1 0 345.277 1.722 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000599106270 449739703 /nfs/dbraw/zinc/73/97/03/449739703.db2.gz DIXQBJQJDJOSGJ-QWHCGFSZSA-N 1 0 327.406 1.197 20 5 EDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000599111734 449742511 /nfs/dbraw/zinc/74/25/11/449742511.db2.gz QYWPFEXVRWALAU-OKILXGFUSA-N 1 0 325.390 1.215 20 5 EDBDRO COC(=O)c1cc(C)nc(NC[C@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000599163655 449772163 /nfs/dbraw/zinc/77/21/63/449772163.db2.gz GKTXSNLEUIVEPC-CYBMUJFWSA-N 1 0 348.403 2.514 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000601337272 449845887 /nfs/dbraw/zinc/84/58/87/449845887.db2.gz AHPXIGOCPCMZNT-NSHDSACASA-N 1 0 343.380 1.557 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC3CC2(C[NH3+])C3)c1C ZINC000595118214 449879165 /nfs/dbraw/zinc/87/91/65/449879165.db2.gz LNDDTXMPUMMPES-UHFFFAOYSA-N 1 0 325.390 1.323 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC2([NH3+])CCCC2)cc1C ZINC000595120853 449880991 /nfs/dbraw/zinc/88/09/91/449880991.db2.gz ZAOKWUCQKZPZGH-UHFFFAOYSA-N 1 0 327.406 1.761 20 5 EDBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H](Cn3ccnn3)C1)OCCO2 ZINC000597173671 449853057 /nfs/dbraw/zinc/85/30/57/449853057.db2.gz GVWLWZKZQGIUGS-GFCCVEGCSA-N 1 0 345.359 1.480 20 5 EDBDRO C[C@]12C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000602935304 449937100 /nfs/dbraw/zinc/93/71/00/449937100.db2.gz KCNJXYQVEXEYCW-GASCZTMLSA-N 1 0 337.763 1.733 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000601423971 449943429 /nfs/dbraw/zinc/94/34/29/449943429.db2.gz SBENNKKLRBVYAX-UHFFFAOYSA-N 1 0 327.406 1.394 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2c(C)cncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602951915 449953758 /nfs/dbraw/zinc/95/37/58/449953758.db2.gz LZUSNBWZBOCJQP-OLZOCXBDSA-N 1 0 335.408 1.914 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)c([N+](=O)[O-])s1 ZINC000601394593 449910398 /nfs/dbraw/zinc/91/03/98/449910398.db2.gz VCCXVBZTDLEFKA-UHFFFAOYSA-N 1 0 333.435 1.679 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000595226601 449958649 /nfs/dbraw/zinc/95/86/49/449958649.db2.gz VRVFSKCDLQRXLW-HIFRSBDPSA-N 1 0 335.408 1.562 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@H]2CCCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000599416115 449962862 /nfs/dbraw/zinc/96/28/62/449962862.db2.gz SSLNJUJFRADAAK-CYBMUJFWSA-N 1 0 341.433 1.913 20 5 EDBDRO Cc1nn(CCC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000609135518 449964550 /nfs/dbraw/zinc/96/45/50/449964550.db2.gz OTOXDZOCGCSONU-CQSZACIVSA-N 1 0 337.424 1.787 20 5 EDBDRO CC(C)(C)c1ncc2c(n1)CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000599525637 450043484 /nfs/dbraw/zinc/04/34/84/450043484.db2.gz OEZCJYZQSSCMQV-UHFFFAOYSA-N 1 0 330.392 1.937 20 5 EDBDRO CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000609559188 450051841 /nfs/dbraw/zinc/05/18/41/450051841.db2.gz AJVFVBNKCXIPKM-AWEZNQCLSA-N 1 0 349.435 1.174 20 5 EDBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000615421783 450091915 /nfs/dbraw/zinc/09/19/15/450091915.db2.gz JHLDUYXQMLJXMB-ZDUSSCGKSA-N 1 0 334.376 1.522 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000595417018 450128786 /nfs/dbraw/zinc/12/87/86/450128786.db2.gz WZYBCCBDWDHYEZ-ZDUSSCGKSA-N 1 0 327.406 1.522 20 5 EDBDRO CCC(O)(CC)C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000599672245 450142584 /nfs/dbraw/zinc/14/25/84/450142584.db2.gz BFYNFEJHSFYNJU-CYBMUJFWSA-N 1 0 326.393 1.817 20 5 EDBDRO CCC(O)(CC)C[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000599672261 450142710 /nfs/dbraw/zinc/14/27/10/450142710.db2.gz BWTSRLYBFGXLES-UHFFFAOYSA-N 1 0 335.404 1.967 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000610177404 450150305 /nfs/dbraw/zinc/15/03/05/450150305.db2.gz KEXLRLVJSMZEKY-BXUZGUMPSA-N 1 0 349.387 1.778 20 5 EDBDRO O=[N+]([O-])c1ccc(Cn2cc(CN3CC[NH2+]CC3)nn2)c(Cl)c1 ZINC000603219069 450152462 /nfs/dbraw/zinc/15/24/62/450152462.db2.gz RODMUWQBVQZNPH-UHFFFAOYSA-N 1 0 336.783 1.293 20 5 EDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)C[NH+](C)C ZINC000597652680 450172126 /nfs/dbraw/zinc/17/21/26/450172126.db2.gz DSBFRLUICNPTGF-JTQLQIEISA-N 1 0 327.406 1.359 20 5 EDBDRO C[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1cnn(C)c1 ZINC000610272419 450177568 /nfs/dbraw/zinc/17/75/68/450177568.db2.gz RIQJEIOMDVTORG-XHDPSFHLSA-N 1 0 329.360 1.612 20 5 EDBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)COc1ccc([N+](=O)[O-])cc1)C2 ZINC000597717070 450217691 /nfs/dbraw/zinc/21/76/91/450217691.db2.gz XZCMDWABYPPSAH-QGZVFWFLSA-N 1 0 333.388 1.918 20 5 EDBDRO O=C(C[NH2+]C1(CCO)CCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595507917 450196704 /nfs/dbraw/zinc/19/67/04/450196704.db2.gz DMXLOPBQAKLCBH-UHFFFAOYSA-N 1 0 333.388 1.769 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC000603314141 450237956 /nfs/dbraw/zinc/23/79/56/450237956.db2.gz NHLHXQZYYGEMBM-ZIAGYGMSSA-N 1 0 341.433 1.918 20 5 EDBDRO COc1cc([N+](=O)[O-])cn(CCCN2CC[NH+](C(C)C)CC2)c1=O ZINC000603357549 450261241 /nfs/dbraw/zinc/26/12/41/450261241.db2.gz DWEGXVOHNRWNLX-UHFFFAOYSA-N 1 0 338.408 1.181 20 5 EDBDRO C[NH+](C)CCCOc1ccc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000619787394 450334501 /nfs/dbraw/zinc/33/45/01/450334501.db2.gz KHRANRYVBKGFHK-UHFFFAOYSA-N 1 0 347.375 1.578 20 5 EDBDRO Cc1cc(N(C)C)nc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)[nH+]1 ZINC000619735448 450323767 /nfs/dbraw/zinc/32/37/67/450323767.db2.gz UDUJJIGZSJHAQH-UHFFFAOYSA-N 1 0 345.359 2.143 20 5 EDBDRO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618869091 450325202 /nfs/dbraw/zinc/32/52/02/450325202.db2.gz QCORPMDURYBRGY-MRXNPFEDSA-N 1 0 347.419 1.829 20 5 EDBDRO COc1c(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000619439840 450473511 /nfs/dbraw/zinc/47/35/11/450473511.db2.gz PSCNZQCQZPKRJX-ZDUSSCGKSA-N 1 0 349.387 1.587 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000619491519 450489259 /nfs/dbraw/zinc/48/92/59/450489259.db2.gz SPILGGFCJVMCQN-NSHDSACASA-N 1 0 343.405 1.318 20 5 EDBDRO CC(C)([NH3+])c1nocc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000582855996 486231969 /nfs/dbraw/zinc/23/19/69/486231969.db2.gz INJIWYBOPVDLEH-UHFFFAOYSA-N 1 0 330.344 1.975 20 5 EDBDRO CO[C@@]1(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000359384385 518119614 /nfs/dbraw/zinc/11/96/14/518119614.db2.gz AXYRLWJINZSZFJ-MLGOLLRUSA-N 1 0 337.376 1.707 20 5 EDBDRO Cc1cccc(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000184311477 534614991 /nfs/dbraw/zinc/61/49/91/534614991.db2.gz WQKVTUIAEFEWEF-AWEZNQCLSA-N 1 0 334.420 1.659 20 5 EDBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000155136433 528259494 /nfs/dbraw/zinc/25/94/94/528259494.db2.gz RGGDGXOZDAMMIN-OAHLLOKOSA-N 1 0 341.433 1.841 20 5 EDBDRO CC[C@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000174630843 529280466 /nfs/dbraw/zinc/28/04/66/529280466.db2.gz QFPNZHSFBGXZIB-HIFRSBDPSA-N 1 0 335.404 1.820 20 5 EDBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000345353772 535128047 /nfs/dbraw/zinc/12/80/47/535128047.db2.gz WMIMDMZKIRUKHO-CYBMUJFWSA-N 1 0 336.392 1.462 20 5 EDBDRO CCS(=O)(=O)N1CC(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000190681385 535664512 /nfs/dbraw/zinc/66/45/12/535664512.db2.gz CAZYEXSNERXKIK-LBPRGKRZSA-N 1 0 341.433 1.835 20 5 EDBDRO CN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000353311578 535996307 /nfs/dbraw/zinc/99/63/07/535996307.db2.gz ATDUGTQVIVOZPH-HNNXBMFYSA-N 1 0 346.387 1.020 20 5 EDBDRO C[NH+](C)Cc1cccc(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000126143625 536029721 /nfs/dbraw/zinc/02/97/21/536029721.db2.gz DDZJYWDBVZVMBZ-UHFFFAOYSA-N 1 0 344.371 1.135 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000124614961 536759958 /nfs/dbraw/zinc/75/99/58/536759958.db2.gz NLJCIWHCRVXUDO-INIZCTEOSA-N 1 0 337.376 1.779 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000237319738 536867664 /nfs/dbraw/zinc/86/76/64/536867664.db2.gz ZQKIWRRFEIYJRI-MNOVXSKESA-N 1 0 343.405 1.351 20 5 EDBDRO C[C@H](C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741017961 579393779 /nfs/dbraw/zinc/39/37/79/579393779.db2.gz DOSRYCORDONCKQ-GRYCIOLGSA-N 1 0 349.387 1.998 20 5 EDBDRO O=[N+]([O-])c1ccc(OC2CCN(C[C@@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000743273306 579474933 /nfs/dbraw/zinc/47/49/33/579474933.db2.gz OYUXSXZXQZCSMI-INIZCTEOSA-N 1 0 349.431 1.895 20 5 EDBDRO CN(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732188508 578696187 /nfs/dbraw/zinc/69/61/87/578696187.db2.gz JYNAOWWRPYXEKZ-INIZCTEOSA-N 1 0 342.403 1.979 20 5 EDBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000733164693 578745441 /nfs/dbraw/zinc/74/54/41/578745441.db2.gz BQMYMPLGDJEOHI-CYBMUJFWSA-N 1 0 327.356 1.815 20 5 EDBDRO C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000761077210 580046838 /nfs/dbraw/zinc/04/68/38/580046838.db2.gz LESFKKIVUUEITN-SNVBAGLBSA-N 1 0 326.784 1.823 20 5 EDBDRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000735967894 578943671 /nfs/dbraw/zinc/94/36/71/578943671.db2.gz LUJLMJGTSBTFRY-UHFFFAOYSA-N 1 0 349.387 1.741 20 5 EDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000736100225 578951573 /nfs/dbraw/zinc/95/15/73/578951573.db2.gz CSMZXPIWVMWOFT-CQSZACIVSA-N 1 0 349.387 1.777 20 5 EDBDRO CS[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000776595883 580423342 /nfs/dbraw/zinc/42/33/42/580423342.db2.gz BUIHAHHTRLPIKF-RBSFLKMASA-N 1 0 325.434 1.606 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000780867531 580536028 /nfs/dbraw/zinc/53/60/28/580536028.db2.gz MPXXVFZHPMDGDK-LLVKDONJSA-N 1 0 343.405 1.366 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[N@H+]2CCC[C@@H]2C)c1C ZINC000780868258 580536162 /nfs/dbraw/zinc/53/61/62/580536162.db2.gz RSARVJGQUBLOEI-LBPRGKRZSA-N 1 0 341.433 1.974 20 5 EDBDRO CC[N@H+](CCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C(C)C ZINC000781970784 580562090 /nfs/dbraw/zinc/56/20/90/580562090.db2.gz RMEWQCZHPATYRB-MRXNPFEDSA-N 1 0 348.403 1.934 20 5 EDBDRO CN(CCCC[NH+](C)C)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781983862 580562421 /nfs/dbraw/zinc/56/24/21/580562421.db2.gz FQOSYGUUGKNNMQ-INIZCTEOSA-N 1 0 348.403 1.888 20 5 EDBDRO O=c1oc2cccc([N+](=O)[O-])c2n1CN1CC[C@@]2(C1)CCCOC2 ZINC000789538963 580748813 /nfs/dbraw/zinc/74/88/13/580748813.db2.gz CSHPUUPLSXBKFK-MRXNPFEDSA-N 1 0 333.344 1.963 20 5 EDBDRO C[C@]1(C(N)=O)CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000794708387 580903923 /nfs/dbraw/zinc/90/39/23/580903923.db2.gz AAHTUJZVGSUXAL-INIZCTEOSA-N 1 0 329.360 1.613 20 5 EDBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000797416246 580975158 /nfs/dbraw/zinc/97/51/58/580975158.db2.gz ZCEFDNSMQWUFNB-HNNXBMFYSA-N 1 0 332.364 1.063 20 5 EDBDRO Cc1ccc(NCCCNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000891590402 591138400 /nfs/dbraw/zinc/13/84/00/591138400.db2.gz YWXPMFZRUYWFAX-OKILXGFUSA-N 1 0 347.419 1.851 20 5 EDBDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000892713985 591144484 /nfs/dbraw/zinc/14/44/84/591144484.db2.gz KVHKRKSBKFCEOZ-ZYHUDNBSSA-N 1 0 328.390 1.516 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841170497 591241822 /nfs/dbraw/zinc/24/18/22/591241822.db2.gz FPCKTVVOERKPJF-VIFPVBQESA-N 1 0 340.767 1.255 20 5 EDBDRO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2COCCN2C)cc1C ZINC000894758210 591410062 /nfs/dbraw/zinc/41/00/62/591410062.db2.gz DMOPWOGGZIJMQJ-LBPRGKRZSA-N 1 0 337.376 1.822 20 5 EDBDRO C[C@H](C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000896541022 591504538 /nfs/dbraw/zinc/50/45/38/591504538.db2.gz BZJQMUFHUCFWGA-XEZPLFJOSA-N 1 0 334.420 1.449 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000897826791 591684733 /nfs/dbraw/zinc/68/47/33/591684733.db2.gz PTCDYEFBMIHLLP-UHFFFAOYSA-N 1 0 341.433 1.727 20 5 EDBDRO Cc1c(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000898122186 591789021 /nfs/dbraw/zinc/78/90/21/591789021.db2.gz GFZLBULBBUZGSN-UHFFFAOYSA-N 1 0 347.415 1.870 20 5 EDBDRO Cn1c2cc(NC[C@]34CCC[C@H]3[NH2+]CC4)c([N+](=O)[O-])cc2n(C)c1=O ZINC000900357174 591993587 /nfs/dbraw/zinc/99/35/87/591993587.db2.gz XVZRIVCTBNOUTG-NVXWUHKLSA-N 1 0 345.403 1.729 20 5 EDBDRO Cc1ccc(Cn2cc(CNC3CC[NH+](C)CC3)nn2)cc1[N+](=O)[O-] ZINC000900528190 592047967 /nfs/dbraw/zinc/04/79/67/592047967.db2.gz SMQFZTVZRBSHNF-UHFFFAOYSA-N 1 0 344.419 1.727 20 5 EDBDRO C[NH2+]Cc1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900641171 592070863 /nfs/dbraw/zinc/07/08/63/592070863.db2.gz MPFGCAKIABBVLC-UHFFFAOYSA-N 1 0 326.154 1.717 20 5 EDBDRO COc1cc([C@@H](C)[NH2+]CCC2CS(=O)(=O)C2)cc([N+](=O)[O-])c1 ZINC000903157226 592127419 /nfs/dbraw/zinc/12/74/19/592127419.db2.gz AXEAJLQNTLBAPI-SNVBAGLBSA-N 1 0 328.390 1.689 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000900801824 592143297 /nfs/dbraw/zinc/14/32/97/592143297.db2.gz DZDJDJZYLBEQSY-MFKMUULPSA-N 1 0 340.811 1.612 20 5 EDBDRO C[NH+](C)CCn1nccc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000900856712 592148202 /nfs/dbraw/zinc/14/82/02/592148202.db2.gz ANCNLJDUNLNVSL-UHFFFAOYSA-N 1 0 331.376 1.325 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1C ZINC000901132113 592250409 /nfs/dbraw/zinc/25/04/09/592250409.db2.gz CATXQONKHZITEU-CQSZACIVSA-N 1 0 335.404 1.788 20 5 EDBDRO COC[C@@H]1C[NH2+]CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000903876913 592358187 /nfs/dbraw/zinc/35/81/87/592358187.db2.gz PGWPGPKCNDTHQL-AWEZNQCLSA-N 1 0 336.392 1.152 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC000908500300 592511122 /nfs/dbraw/zinc/51/11/22/592511122.db2.gz ACXQHVLSXVPHEL-UHFFFAOYSA-N 1 0 349.435 1.871 20 5 EDBDRO Cc1ccc(C[C@@H](CO)C[NH2+]CC[N+](=O)[O-])cc1Br ZINC000905373847 592518826 /nfs/dbraw/zinc/51/88/26/592518826.db2.gz RAROUGZCTDIGRH-GFCCVEGCSA-N 1 0 331.210 1.775 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCCc3ccccc3C2)c1 ZINC000905655521 592597795 /nfs/dbraw/zinc/59/77/95/592597795.db2.gz NXABZAMJERXUQM-NVXWUHKLSA-N 1 0 330.388 1.689 20 5 EDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1cc3c(cc1[N+](=O)[O-])OCCCO3)C2 ZINC000907764551 592782929 /nfs/dbraw/zinc/78/29/29/592782929.db2.gz VNHHFKCOGLTJFY-UHFFFAOYSA-N 1 0 347.371 1.534 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906623106 592860071 /nfs/dbraw/zinc/86/00/71/592860071.db2.gz WATYTGXDAJQGNY-LBPRGKRZSA-N 1 0 349.387 1.828 20 5 EDBDRO O=C(NCCCN1CC[NH2+]CC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911628622 592968871 /nfs/dbraw/zinc/96/88/71/592968871.db2.gz BLBIPDLQFXHIAL-HZPDHXFCSA-N 1 0 332.404 1.110 20 5 EDBDRO CC1(C)C[NH2+]CCN1C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000911849144 593026047 /nfs/dbraw/zinc/02/60/47/593026047.db2.gz ZMPUOMRDZQPTOR-UHFFFAOYSA-N 1 0 343.387 1.664 20 5 EDBDRO C[C@@H]1CN(CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1C ZINC000840089553 593162828 /nfs/dbraw/zinc/16/28/28/593162828.db2.gz HIYIWONKZNCNCD-IIYDPXPESA-N 1 0 348.403 1.514 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000840152473 593304744 /nfs/dbraw/zinc/30/47/44/593304744.db2.gz NCZBVPJULJSGMZ-SNVBAGLBSA-N 1 0 346.229 1.926 20 5 EDBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)CN1CCOCC1 ZINC000839674339 593367859 /nfs/dbraw/zinc/36/78/59/593367859.db2.gz NJPHBIRFMGRKAD-INIZCTEOSA-N 1 0 337.420 1.671 20 5 EDBDRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3CC3[N+](=O)[O-])nc2)CC1 ZINC000839705752 593372035 /nfs/dbraw/zinc/37/20/35/593372035.db2.gz IWUKNHHRUWCGLE-ZIAGYGMSSA-N 1 0 333.392 1.216 20 5 EDBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813516445 593537886 /nfs/dbraw/zinc/53/78/86/593537886.db2.gz DHDNXNVENNLXOL-CYBMUJFWSA-N 1 0 348.186 1.698 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000813740044 593552478 /nfs/dbraw/zinc/55/24/78/593552478.db2.gz XNJOCEMCWJAAOU-JOYOIKCWSA-N 1 0 345.808 1.573 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000816950202 593562450 /nfs/dbraw/zinc/56/24/50/593562450.db2.gz NGVDDKSYVHEISG-IUODEOHRSA-N 1 0 329.360 1.107 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000817374243 593598129 /nfs/dbraw/zinc/59/81/29/593598129.db2.gz QTKVYAPQIBFCGU-LLVKDONJSA-N 1 0 332.360 1.174 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c1 ZINC000815290850 593625973 /nfs/dbraw/zinc/62/59/73/593625973.db2.gz OFJNGIVKFGOCOE-ZACQAIPSSA-N 1 0 336.388 1.538 20 5 EDBDRO C[C@@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625337 593644744 /nfs/dbraw/zinc/64/47/44/593644744.db2.gz AUVGZDZBLGNPLZ-NXEZZACHSA-N 1 0 327.406 1.793 20 5 EDBDRO Nc1ccc(C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000818010730 593657012 /nfs/dbraw/zinc/65/70/12/593657012.db2.gz OOYVYGMRYYAILM-HOCLYGCPSA-N 1 0 348.403 1.536 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCOc2ccccc2F)c1 ZINC000818944997 593729410 /nfs/dbraw/zinc/72/94/10/593729410.db2.gz SQBYTMIAFCGHOO-CYBMUJFWSA-N 1 0 338.339 1.350 20 5 EDBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000818947291 593729666 /nfs/dbraw/zinc/72/96/66/593729666.db2.gz BDWWOVSRQITXSS-RHSMWYFYSA-N 1 0 328.372 1.874 20 5 EDBDRO CS(=O)(=O)CC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819130773 593740565 /nfs/dbraw/zinc/74/05/65/593740565.db2.gz FLSQWIYYLYIWPS-CYBMUJFWSA-N 1 0 328.390 1.043 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2COC3(CCOCC3)O2)cc1 ZINC000819215455 593744692 /nfs/dbraw/zinc/74/46/92/593744692.db2.gz HRQQWYFKWGCCTQ-CABCVRRESA-N 1 0 338.360 1.140 20 5 EDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820426812 593818223 /nfs/dbraw/zinc/81/82/23/593818223.db2.gz NVJFMRUUKAXPHL-SNVBAGLBSA-N 1 0 328.336 1.322 20 5 EDBDRO CC1(C)CC(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000820589442 593839221 /nfs/dbraw/zinc/83/92/21/593839221.db2.gz FTDYDLGBBSTRSL-UHFFFAOYSA-N 1 0 346.395 1.891 20 5 EDBDRO C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC000820656574 593854682 /nfs/dbraw/zinc/85/46/82/593854682.db2.gz GPAKISBBVPGWHO-MNOVXSKESA-N 1 0 331.380 1.694 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821581646 593868060 /nfs/dbraw/zinc/86/80/60/593868060.db2.gz RKFNGNRIGPEDJI-NXEZZACHSA-N 1 0 332.368 1.455 20 5 EDBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821087534 593962561 /nfs/dbraw/zinc/96/25/61/593962561.db2.gz CSOAEKMTUFCWQD-GFCCVEGCSA-N 1 0 345.407 1.943 20 5 EDBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C1=CC[N@H+](C)CC1 ZINC000824658536 594052120 /nfs/dbraw/zinc/05/21/20/594052120.db2.gz XXDLDEKINKWHTC-JTQLQIEISA-N 1 0 329.364 1.837 20 5 EDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000825250065 594155217 /nfs/dbraw/zinc/15/52/17/594155217.db2.gz SJADQLWTDMRXFO-HNNXBMFYSA-N 1 0 348.403 1.302 20 5 EDBDRO C[C@H]([NH3+])CCc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000823114340 594155400 /nfs/dbraw/zinc/15/54/00/594155400.db2.gz AHYAHSXIWCNRHO-JTQLQIEISA-N 1 0 333.348 1.117 20 5 EDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@](C)(O)c1ccccc1 ZINC000823605130 594220920 /nfs/dbraw/zinc/22/09/20/594220920.db2.gz IBYNAIFHTKVYTH-QGZVFWFLSA-N 1 0 331.372 1.596 20 5 EDBDRO O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000825743448 594235808 /nfs/dbraw/zinc/23/58/08/594235808.db2.gz XJLZRMVJPXKCIC-NVXWUHKLSA-N 1 0 330.388 1.243 20 5 EDBDRO C[N@@H+]1CCCC12CCN(c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)CC2 ZINC000826034420 594311674 /nfs/dbraw/zinc/31/16/74/594311674.db2.gz QGLZLQVYZKNJTG-UHFFFAOYSA-N 1 0 344.379 1.235 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000826636384 594544520 /nfs/dbraw/zinc/54/45/20/594544520.db2.gz UHBIMGGKKMTHPX-HNNXBMFYSA-N 1 0 343.387 1.490 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000831711843 594695153 /nfs/dbraw/zinc/69/51/53/594695153.db2.gz YJFUWDQXZQSSMG-TZMCWYRMSA-N 1 0 329.360 1.155 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000831724077 594696553 /nfs/dbraw/zinc/69/65/53/594696553.db2.gz SUXQUKYVRBCASA-YGRLFVJLSA-N 1 0 338.795 1.823 20 5 EDBDRO [NH3+]C[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CCCO1 ZINC000841100447 594850669 /nfs/dbraw/zinc/85/06/69/594850669.db2.gz IFCGHNDGQZCMHE-SNVBAGLBSA-N 1 0 344.209 1.907 20 5 EDBDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841193929 594866490 /nfs/dbraw/zinc/86/64/90/594866490.db2.gz GBRIFTXUDFPOHI-SECBINFHSA-N 1 0 342.783 1.820 20 5 EDBDRO Cc1ccc(-c2noc(-c3cn(CCCC[NH3+])nn3)n2)cc1[N+](=O)[O-] ZINC000841823388 594958424 /nfs/dbraw/zinc/95/84/24/594958424.db2.gz AMQXVBCZRPJGRM-UHFFFAOYSA-N 1 0 343.347 1.951 20 5 EDBDRO C[C@@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+](C)C ZINC000836621766 594980914 /nfs/dbraw/zinc/98/09/14/594980914.db2.gz MMKIURRARGOKMW-ZDUSSCGKSA-N 1 0 335.408 1.377 20 5 EDBDRO CCC([NH3+])(CC)CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841950939 594988348 /nfs/dbraw/zinc/98/83/48/594988348.db2.gz FGLIWWKNWNPNMD-UHFFFAOYSA-N 1 0 349.435 1.944 20 5 EDBDRO [NH3+][C@@H](Cc1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1)C1CC1 ZINC000843237050 595046564 /nfs/dbraw/zinc/04/65/64/595046564.db2.gz KCEHHEVUPZTWJS-NSHDSACASA-N 1 0 341.331 1.505 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC(N3CC[C@@H](O)C3)C2)c(Br)c1 ZINC000845720523 595050444 /nfs/dbraw/zinc/05/04/44/595050444.db2.gz CVGBNDSSVBZRRZ-LLVKDONJSA-N 1 0 342.193 1.613 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843352676 595084450 /nfs/dbraw/zinc/08/44/50/595084450.db2.gz JOIFKWBLHJEIAJ-NSHDSACASA-N 1 0 326.784 1.871 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCO1 ZINC000843356888 595085933 /nfs/dbraw/zinc/08/59/33/595085933.db2.gz GMKKFWKJQSKJNU-AMIZOPFISA-N 1 0 345.758 1.504 20 5 EDBDRO O=C(CN1CC[C@H]2[NH2+]CC[C@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843387278 595096293 /nfs/dbraw/zinc/09/62/93/595096293.db2.gz PYFMAYKDHCPNGY-GXFFZTMASA-N 1 0 338.795 1.871 20 5 EDBDRO CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000843389116 595097626 /nfs/dbraw/zinc/09/76/26/595097626.db2.gz IBTGLNJOLHJPPW-UHFFFAOYSA-N 1 0 326.784 2.000 20 5 EDBDRO [NH3+]C[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCCO1 ZINC000842479436 595116276 /nfs/dbraw/zinc/11/62/76/595116276.db2.gz SJFQSNCUNKSHAU-GFCCVEGCSA-N 1 0 340.355 1.112 20 5 EDBDRO C[NH2+]C[C@@H](C)c1noc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000842576493 595131479 /nfs/dbraw/zinc/13/14/79/595131479.db2.gz IHUYOUHGTOMQBH-SNVBAGLBSA-N 1 0 333.348 1.273 20 5 EDBDRO O=[N+]([O-])c1cccc(-n2cc(-c3nc([C@H]4CCC[NH2+]C4)no3)nn2)c1 ZINC000842665835 595165042 /nfs/dbraw/zinc/16/50/42/595165042.db2.gz AZZPSCZWBHIPJD-JTQLQIEISA-N 1 0 341.331 1.693 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000842696679 595172932 /nfs/dbraw/zinc/17/29/32/595172932.db2.gz IJUPUVKYUUNAFH-JTQLQIEISA-N 1 0 347.824 1.977 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000842850828 595215754 /nfs/dbraw/zinc/21/57/54/595215754.db2.gz ZDCQKWFAGMLJRY-CQSZACIVSA-N 1 0 343.380 1.498 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000842850826 595215962 /nfs/dbraw/zinc/21/59/62/595215962.db2.gz ZDCQKWFAGMLJRY-AWEZNQCLSA-N 1 0 343.380 1.498 20 5 EDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000848022778 595305931 /nfs/dbraw/zinc/30/59/31/595305931.db2.gz APWFPBWGILIATH-LBPRGKRZSA-N 1 0 327.356 1.557 20 5 EDBDRO O=C1O[C@H](C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CN1C1CC1 ZINC000844306890 595320677 /nfs/dbraw/zinc/32/06/77/595320677.db2.gz LXLUEEYBNULUJO-SMDDNHRTSA-N 1 0 347.375 1.459 20 5 EDBDRO COc1cc(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000849428983 595525073 /nfs/dbraw/zinc/52/50/73/595525073.db2.gz HCWUEORXWMFXQG-SNVBAGLBSA-N 1 0 331.394 1.222 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCC12CC(C1)C[NH2+]2 ZINC000850591801 595542140 /nfs/dbraw/zinc/54/21/40/595542140.db2.gz AKADQCJSOZHWFK-UHFFFAOYSA-N 1 0 331.781 1.279 20 5 EDBDRO O=C(N(C1CC1)[C@H]1CC[NH2+]C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857767006 595600928 /nfs/dbraw/zinc/60/09/28/595600928.db2.gz VXKIXFGZVPCZCZ-LBPRGKRZSA-N 1 0 341.314 1.919 20 5 EDBDRO CCN(C(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000855360971 595685505 /nfs/dbraw/zinc/68/55/05/595685505.db2.gz PTLWLBWFSKCBOL-JTQLQIEISA-N 1 0 335.389 1.766 20 5 EDBDRO C[C@]12COC[C@@H]1C[N@H+](Cn1cnc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000853565377 595806213 /nfs/dbraw/zinc/80/62/13/595806213.db2.gz DYVFYQRKSXIWJF-BBRMVZONSA-N 1 0 329.360 1.779 20 5 EDBDRO O=C(Cn1cnc([N+](=O)[O-])n1)OC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000851465853 595816672 /nfs/dbraw/zinc/81/66/72/595816672.db2.gz DXTPPHBGWYZCAO-ZDUSSCGKSA-N 1 0 331.332 1.004 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@]1(OCCO)CCOC1 ZINC000850357913 595816913 /nfs/dbraw/zinc/81/69/13/595816913.db2.gz BAXFCNZGDGDDPP-CQSZACIVSA-N 1 0 330.768 1.506 20 5 EDBDRO C[C@@H]([NH3+])CN(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000858641478 595853378 /nfs/dbraw/zinc/85/33/78/595853378.db2.gz HRDVUZHFLZIBJO-ZCFIWIBFSA-N 1 0 342.204 1.869 20 5 EDBDRO C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[NH2+]1 ZINC000861525180 596014445 /nfs/dbraw/zinc/01/44/45/596014445.db2.gz QQIIDEJGDVYATQ-BDAKNGLRSA-N 1 0 340.767 1.443 20 5 EDBDRO O=C(NCC[NH+]1CCC(O)CC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861922662 596150614 /nfs/dbraw/zinc/15/06/14/596150614.db2.gz SCCSNLSOBUBIRA-UHFFFAOYSA-N 1 0 343.383 1.935 20 5 EDBDRO CC1(N2CCOCC2)CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000859777739 596194868 /nfs/dbraw/zinc/19/48/68/596194868.db2.gz XBVBHDAWGZRPKN-KRWDZBQOSA-N 1 0 349.431 1.815 20 5 EDBDRO Cc1ccc([C@H](C)[NH2+]C[C@@]23COCCN2C(=O)COC3)cc1[N+](=O)[O-] ZINC000866555043 596249541 /nfs/dbraw/zinc/24/95/41/596249541.db2.gz KIVKWMQCBIBOLS-GUYCJALGSA-N 1 0 349.387 1.182 20 5 EDBDRO CC[C@@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1cccc([N+](=O)[O-])c1 ZINC000866555818 596250235 /nfs/dbraw/zinc/25/02/35/596250235.db2.gz OLMSMQOYWWABFT-WBVHZDCISA-N 1 0 349.387 1.263 20 5 EDBDRO O=C(CCC12CC(C1)C[NH2+]2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000870866941 596383546 /nfs/dbraw/zinc/38/35/46/596383546.db2.gz WGAAWOYVASEMKD-UHFFFAOYSA-N 1 0 344.415 1.776 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000867812491 596564882 /nfs/dbraw/zinc/56/48/82/596564882.db2.gz KKBOZUWCTRSASP-GWCFXTLKSA-N 1 0 343.380 1.449 20 5 EDBDRO C[N@H+](CCN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000863503082 596602793 /nfs/dbraw/zinc/60/27/93/596602793.db2.gz XJWUDEFZJONKCG-MRXNPFEDSA-N 1 0 332.360 1.456 20 5 EDBDRO COC(=O)C1=CC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000863571880 596622234 /nfs/dbraw/zinc/62/22/34/596622234.db2.gz GHWWUDMHWOTOSD-GXTWGEPZSA-N 1 0 336.344 1.186 20 5 EDBDRO COCCC1(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000868039117 596664526 /nfs/dbraw/zinc/66/45/26/596664526.db2.gz MZXPEGOPBNQMKT-QPJJXVBHSA-N 1 0 333.388 1.883 20 5 EDBDRO COc1ccc(CSCC(=O)N2CC[C@@](C)([NH3+])C2)cc1[N+](=O)[O-] ZINC000868074430 596677268 /nfs/dbraw/zinc/67/72/68/596677268.db2.gz IKOCMTGXITVEFH-OAHLLOKOSA-N 1 0 339.417 1.786 20 5 EDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cs1 ZINC000119831343 596748153 /nfs/dbraw/zinc/74/81/53/596748153.db2.gz CEOZZVPGODWSQZ-NSHDSACASA-N 1 0 345.446 1.763 20 5 EDBDRO C[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872046828 596799407 /nfs/dbraw/zinc/79/94/07/596799407.db2.gz MOGKUAAPPJVKCD-NSHDSACASA-N 1 0 345.396 1.810 20 5 EDBDRO C[C@]12C[NH2+]C[C@H]1CN(CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000872153201 596814177 /nfs/dbraw/zinc/81/41/77/596814177.db2.gz BHOSJCGHMQBPHZ-YVEFUNNKSA-N 1 0 346.387 1.434 20 5 EDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(=O)N1CCOCC1 ZINC000866313847 596853176 /nfs/dbraw/zinc/85/31/76/596853176.db2.gz IJTLIKWQJLNBLO-NSHDSACASA-N 1 0 325.340 1.113 20 5 EDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000866387756 596873030 /nfs/dbraw/zinc/87/30/30/596873030.db2.gz WMUUVYOAQKGACV-GXFFZTMASA-N 1 0 333.367 1.941 20 5 EDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CN(c2ccncn2)C1 ZINC000866496731 596893466 /nfs/dbraw/zinc/89/34/66/596893466.db2.gz WHBTZMMCJCLJID-NSHDSACASA-N 1 0 331.351 1.933 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000874253605 596987990 /nfs/dbraw/zinc/98/79/90/596987990.db2.gz SXUKDTALYHHWQW-KBPBESRZSA-N 1 0 333.388 1.805 20 5 EDBDRO CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)S(C)(=O)=O ZINC000124336080 597148468 /nfs/dbraw/zinc/14/84/68/597148468.db2.gz RXNQHZLDCVKTGI-ZDUSSCGKSA-N 1 0 330.406 1.383 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000874836839 597192715 /nfs/dbraw/zinc/19/27/15/597192715.db2.gz FMVRHEOITCARLX-UONOGXRCSA-N 1 0 347.371 1.675 20 5 EDBDRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000876471254 597212374 /nfs/dbraw/zinc/21/23/74/597212374.db2.gz LSJAOEHKOXQKRR-CQSZACIVSA-N 1 0 343.405 1.076 20 5 EDBDRO COCC1(CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)CC[NH2+]CC1 ZINC000876843926 597356462 /nfs/dbraw/zinc/35/64/62/597356462.db2.gz UEFIXAMCXLWCFM-UHFFFAOYSA-N 1 0 335.404 1.958 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877347320 597498000 /nfs/dbraw/zinc/49/80/00/597498000.db2.gz UCBHGXSCEBWCPK-INIZCTEOSA-N 1 0 325.368 1.968 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877368343 597502791 /nfs/dbraw/zinc/50/27/91/597502791.db2.gz HQTRSPJSJUGNPV-GZMMTYOYSA-N 1 0 347.293 1.813 20 5 EDBDRO C[C@@H]1CN(CCC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCCO1 ZINC000877478047 597522526 /nfs/dbraw/zinc/52/25/26/597522526.db2.gz KTXITSIOJAGMLR-WLYUNCDWSA-N 1 0 337.424 1.585 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@H]21 ZINC000877744426 597552302 /nfs/dbraw/zinc/55/23/02/597552302.db2.gz STTFCSPIXVKYGP-MLGOLLRUSA-N 1 0 333.388 1.987 20 5 EDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879576074 597638981 /nfs/dbraw/zinc/63/89/81/597638981.db2.gz PQBIDVXMDMKPDL-WWGRRREGSA-N 1 0 332.404 1.948 20 5 EDBDRO NC(=O)[C@@H](F)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000879048000 597800191 /nfs/dbraw/zinc/80/01/91/597800191.db2.gz VUGZBTFKEAMZFN-AWEZNQCLSA-N 1 0 325.340 1.509 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880135481 597852032 /nfs/dbraw/zinc/85/20/32/597852032.db2.gz WCBVAQRCKXYIJN-LSDHHAIUSA-N 1 0 348.403 1.710 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880577862 597968917 /nfs/dbraw/zinc/96/89/17/597968917.db2.gz CKAABDRLRWXUMV-HNNXBMFYSA-N 1 0 336.388 1.967 20 5 EDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000882495658 597977632 /nfs/dbraw/zinc/97/76/32/597977632.db2.gz JLRVAAKCEDCJAW-GFCCVEGCSA-N 1 0 347.350 1.744 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H](O)COCC3CC3)CC2)cc1 ZINC000130049760 598048685 /nfs/dbraw/zinc/04/86/85/598048685.db2.gz RTMYTCFHOJFBQN-SFHVURJKSA-N 1 0 349.431 1.941 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1C ZINC000884285582 598054879 /nfs/dbraw/zinc/05/48/79/598054879.db2.gz NHRJMMRJFAGGJK-CQSZACIVSA-N 1 0 332.404 1.331 20 5 EDBDRO COCCN(C)Cc1cn(Cc2cc(Cl)ccc2[N+](=O)[O-])nn1 ZINC000881353336 598131868 /nfs/dbraw/zinc/13/18/68/598131868.db2.gz ZYMMFAKSMZALED-UHFFFAOYSA-N 1 0 339.783 1.966 20 5 EDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](CC3CC3)C2)c(-c2nn[nH]n2)c1 ZINC000738369231 598504379 /nfs/dbraw/zinc/50/43/79/598504379.db2.gz JLQGLMNVZBQKRJ-SNVBAGLBSA-N 1 0 330.352 1.066 20 5 EDBDRO Cc1c(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000153828406 696616690 /nfs/dbraw/zinc/61/66/90/696616690.db2.gz KKPDAPXYXLRFFA-RKDXNWHRSA-N 1 0 336.348 1.942 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000917223567 696975058 /nfs/dbraw/zinc/97/50/58/696975058.db2.gz KGRJTDLMTPESHT-ZIAGYGMSSA-N 1 0 349.435 1.591 20 5 EDBDRO Cc1ccc(NCCCNC(=O)NC[C@H]2CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000919875318 697356963 /nfs/dbraw/zinc/35/69/63/697356963.db2.gz RJDRXJPNFXHCQW-CYBMUJFWSA-N 1 0 335.408 1.709 20 5 EDBDRO Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC000940108004 700220121 /nfs/dbraw/zinc/22/01/21/700220121.db2.gz VFYPWZNSLJYLQM-VXGBXAGGSA-N 1 0 338.433 1.587 20 5 EDBDRO O=C(c1ccncn1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997098439 703337471 /nfs/dbraw/zinc/33/74/71/703337471.db2.gz HJJGLJUWEKDAQV-UHFFFAOYSA-N 1 0 341.371 1.779 20 5 EDBDRO O=C(Cn1ccnc1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997413866 703668690 /nfs/dbraw/zinc/66/86/90/703668690.db2.gz RPWXUNFRMUMSTB-UHFFFAOYSA-N 1 0 343.387 1.572 20 5 EDBDRO COc1ccnc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000997767544 704671023 /nfs/dbraw/zinc/67/10/23/704671023.db2.gz HIBDSAGAESNIEM-HZPDHXFCSA-N 1 0 348.403 1.084 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CC[C@H](NC(=O)c2ccoc2)CC1 ZINC001034593988 710273316 /nfs/dbraw/zinc/27/33/16/710273316.db2.gz XLIUQPCTXQRIFH-JOCQHMNTSA-N 1 0 347.375 1.752 20 5 EDBDRO COc1cc(C[NH2+]CC[C@@H]2CC(=O)N(C)C2)c([N+](=O)[O-])cc1OC ZINC000922488421 711607418 /nfs/dbraw/zinc/60/74/18/711607418.db2.gz JVVLASXYPOCUAK-LLVKDONJSA-N 1 0 337.376 1.570 20 5 EDBDRO Cc1cccc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000065978418 215002217 /nfs/dbraw/zinc/00/22/17/215002217.db2.gz WGXKPWMVNSWNSH-UHFFFAOYSA-N 1 0 349.412 1.971 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000066105836 215012509 /nfs/dbraw/zinc/01/25/09/215012509.db2.gz BHBOKZDPMUGUFJ-GFCCVEGCSA-N 1 0 343.380 1.593 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCN(C(N)=O)CC1 ZINC000102180549 219189499 /nfs/dbraw/zinc/18/94/99/219189499.db2.gz CLWMBXPJSKPMIL-UHFFFAOYSA-N 1 0 349.391 1.318 20 5 EDBDRO [NH3+][C@@H]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000563164929 306321327 /nfs/dbraw/zinc/32/13/27/306321327.db2.gz UNBVVBQHIJUZCL-CQSZACIVSA-N 1 0 332.404 1.761 20 5 EDBDRO C[NH+]1CCN(CCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000078239610 138256566 /nfs/dbraw/zinc/25/65/66/138256566.db2.gz FAHYSGLNZVGYLZ-UHFFFAOYSA-N 1 0 347.419 1.146 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000077851379 138255652 /nfs/dbraw/zinc/25/56/52/138255652.db2.gz SSFPSDVYGJHYSD-LBPRGKRZSA-N 1 0 348.403 1.832 20 5 EDBDRO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000086468650 138271110 /nfs/dbraw/zinc/27/11/10/138271110.db2.gz GGHLHSDMGZEDSO-IUCAKERBSA-N 1 0 333.797 1.619 20 5 EDBDRO CCOC[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000081519060 138266926 /nfs/dbraw/zinc/26/69/26/138266926.db2.gz LHHBJVILPSNURF-CYBMUJFWSA-N 1 0 333.388 1.842 20 5 EDBDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000090394468 138278205 /nfs/dbraw/zinc/27/82/05/138278205.db2.gz JXHVLRWUYKEAML-AAEUAGOBSA-N 1 0 331.376 1.998 20 5 EDBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)N1CCOCC1 ZINC000123957802 138322680 /nfs/dbraw/zinc/32/26/80/138322680.db2.gz FXEDZVMPOSRBOS-UHFFFAOYSA-N 1 0 337.376 1.154 20 5 EDBDRO Cc1c(CC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000186957265 236077949 /nfs/dbraw/zinc/07/79/49/236077949.db2.gz UQRRCBJTYQADPW-CYBMUJFWSA-N 1 0 349.431 1.749 20 5 EDBDRO C[C@H]1CC[C@@](CO)([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000187938168 236349403 /nfs/dbraw/zinc/34/94/03/236349403.db2.gz XAMVVULBTSDQGD-JLJPHGGASA-N 1 0 338.404 1.817 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC2(O)CCCC2)cc1 ZINC000564872789 306368151 /nfs/dbraw/zinc/36/81/51/306368151.db2.gz HYOMBWMQCFCKGY-UHFFFAOYSA-N 1 0 328.390 1.263 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564987083 306372264 /nfs/dbraw/zinc/37/22/64/306372264.db2.gz NRAZDOYNLSKDKM-QGZVFWFLSA-N 1 0 348.403 1.617 20 5 EDBDRO C[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000184660125 138796914 /nfs/dbraw/zinc/79/69/14/138796914.db2.gz RUPJQAGPCOWYKZ-LBPRGKRZSA-N 1 0 343.449 1.991 20 5 EDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072725281 216300609 /nfs/dbraw/zinc/30/06/09/216300609.db2.gz IZKOQLBXKUUMNF-HNNXBMFYSA-N 1 0 334.420 2.000 20 5 EDBDRO CC[NH+](CC)CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000073434682 216387109 /nfs/dbraw/zinc/38/71/09/216387109.db2.gz CMGYVAHZOCLJID-UHFFFAOYSA-N 1 0 331.394 1.224 20 5 EDBDRO Nc1nc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)ncc1[N+](=O)[O-] ZINC000132836360 223366392 /nfs/dbraw/zinc/36/63/92/223366392.db2.gz CRCXZTWNGVPBRB-AAEUAGOBSA-N 1 0 336.396 1.147 20 5 EDBDRO CCOc1cc(NC(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])cc1OCC ZINC000414761961 304138278 /nfs/dbraw/zinc/13/82/78/304138278.db2.gz VDUGHVLQJHBWSD-UHFFFAOYSA-N 1 0 338.364 1.829 20 5 EDBDRO Cc1n[nH]c(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000354325088 291469235 /nfs/dbraw/zinc/46/92/35/291469235.db2.gz SCVYBGBVZUHTBY-ZDUSSCGKSA-N 1 0 331.376 1.529 20 5 EDBDRO Cn1cc(C[NH2+]C[C@H]2CNCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415093163 304159241 /nfs/dbraw/zinc/15/92/41/304159241.db2.gz HOQWVAQYFRFTMU-OAHLLOKOSA-N 1 0 331.376 1.073 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)ccc1[N+](=O)[O-] ZINC000236723873 139029679 /nfs/dbraw/zinc/02/96/79/139029679.db2.gz HCQFPKVAUNIXHW-AWEZNQCLSA-N 1 0 329.422 1.945 20 5 EDBDRO C[C@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000237504565 139052857 /nfs/dbraw/zinc/05/28/57/139052857.db2.gz KUUTTYXKGIBBCN-SMDDNHRTSA-N 1 0 327.406 1.484 20 5 EDBDRO C[C@]1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC[NH2+]C1 ZINC000237530721 139053348 /nfs/dbraw/zinc/05/33/48/139053348.db2.gz HDGQPMAPXXIKHU-KRWDZBQOSA-N 1 0 332.404 1.633 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)cc1C ZINC000237666797 139057451 /nfs/dbraw/zinc/05/74/51/139057451.db2.gz OLCBMIGXHSJFRG-ZDUSSCGKSA-N 1 0 341.433 1.880 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])c1F ZINC000246347862 139105075 /nfs/dbraw/zinc/10/50/75/139105075.db2.gz VRSPYHFKMGQYPA-NSHDSACASA-N 1 0 343.380 1.511 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000247257258 139142741 /nfs/dbraw/zinc/14/27/41/139142741.db2.gz DWUKXPLNGWNKPR-QMTHXVAHSA-N 1 0 331.376 1.883 20 5 EDBDRO CCCO[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000247531735 139151469 /nfs/dbraw/zinc/15/14/69/139151469.db2.gz OGSBJRJJFZEBQC-CABCVRRESA-N 1 0 326.397 1.433 20 5 EDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000248458299 139164908 /nfs/dbraw/zinc/16/49/08/139164908.db2.gz MWKMAEDCSWITKA-IJEWVQPXSA-N 1 0 338.404 1.817 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000261671486 139216033 /nfs/dbraw/zinc/21/60/33/139216033.db2.gz HEWAERGZKXQJLJ-WDEREUQCSA-N 1 0 343.405 1.270 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261816595 139228464 /nfs/dbraw/zinc/22/84/64/139228464.db2.gz AHGWEKYTUZXJAN-VXGBXAGGSA-N 1 0 325.390 1.133 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000262031555 139245195 /nfs/dbraw/zinc/24/51/95/139245195.db2.gz YWTWMIXCAVSQJK-SNVBAGLBSA-N 1 0 329.378 1.024 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000262026155 139244825 /nfs/dbraw/zinc/24/48/25/139244825.db2.gz YHBHUXMHNYMBOW-NXEZZACHSA-N 1 0 347.824 1.996 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 ZINC000416308768 251061717 /nfs/dbraw/zinc/06/17/17/251061717.db2.gz RZRINMKGLTUTTL-UHFFFAOYSA-N 1 0 348.403 1.255 20 5 EDBDRO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000262271024 139265365 /nfs/dbraw/zinc/26/53/65/139265365.db2.gz MZBPGOGJFAPYBC-MFKMUULPSA-N 1 0 348.384 1.028 20 5 EDBDRO C[C@]1(F)C[NH2+]CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000420343950 251686686 /nfs/dbraw/zinc/68/66/86/251686686.db2.gz XHUUTMIHVNSTLB-HNNXBMFYSA-N 1 0 335.339 1.778 20 5 EDBDRO O=C(CN1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420351247 251694266 /nfs/dbraw/zinc/69/42/66/251694266.db2.gz WIAKFYMRQAPWCU-OKILXGFUSA-N 1 0 330.388 1.310 20 5 EDBDRO COc1cc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000423946268 252107198 /nfs/dbraw/zinc/10/71/98/252107198.db2.gz INHQELNSDOLBJJ-CBAPKCEASA-N 1 0 345.302 1.624 20 5 EDBDRO COC(=O)c1cc(NC(=O)N[C@H](C)CCC[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415604345 304237411 /nfs/dbraw/zinc/23/74/11/304237411.db2.gz VVMSNIMIYROQCY-SECBINFHSA-N 1 0 338.364 1.939 20 5 EDBDRO C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187186771 533067657 /nfs/dbraw/zinc/06/76/57/533067657.db2.gz GKZHOLYZFHVRRW-DYVFJYSZSA-N 1 0 345.403 1.989 20 5 EDBDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000112549519 220347547 /nfs/dbraw/zinc/34/75/47/220347547.db2.gz SPFHBPQEDHNHOS-ZYHUDNBSSA-N 1 0 344.375 1.426 20 5 EDBDRO Cc1nnc(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000570154931 306531707 /nfs/dbraw/zinc/53/17/07/306531707.db2.gz FVFKCSYRWMWPKF-GFCCVEGCSA-N 1 0 338.389 1.327 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C[NH3+])C2CC2)cc1SC ZINC000159072259 533132380 /nfs/dbraw/zinc/13/23/80/533132380.db2.gz KIPVIYZOBAPPOL-SNVBAGLBSA-N 1 0 325.390 1.792 20 5 EDBDRO CC[C@@H](CO)[NH+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000492203237 255162081 /nfs/dbraw/zinc/16/20/81/255162081.db2.gz PZHNSUUNKNLBPN-KKTNHOPESA-N 1 0 333.388 1.523 20 5 EDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000493550339 255214909 /nfs/dbraw/zinc/21/49/09/255214909.db2.gz HXZDQRQSZYLURJ-SVEBXFOSSA-N 1 0 331.372 1.181 20 5 EDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000493216955 255197413 /nfs/dbraw/zinc/19/74/13/255197413.db2.gz IVTTVSVRKOAZRD-WUKHSURWSA-N 1 0 333.388 1.571 20 5 EDBDRO C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000495041507 255266574 /nfs/dbraw/zinc/26/65/74/255266574.db2.gz FHSWXQBSEFEXEU-UTUOFQBUSA-N 1 0 327.406 1.507 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000495068081 255267788 /nfs/dbraw/zinc/26/77/88/255267788.db2.gz QIQHLECIDXZOHD-LLVKDONJSA-N 1 0 339.396 1.721 20 5 EDBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000264106942 139380886 /nfs/dbraw/zinc/38/08/86/139380886.db2.gz IMAJPZFZFMDIQP-LLVKDONJSA-N 1 0 345.421 1.612 20 5 EDBDRO Cn1cc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000155009438 224342472 /nfs/dbraw/zinc/34/24/72/224342472.db2.gz GUMQDDRLPGAREY-CYBMUJFWSA-N 1 0 343.387 1.693 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000264545681 139414250 /nfs/dbraw/zinc/41/42/50/139414250.db2.gz BQFUYPDLNJUFAI-CQSZACIVSA-N 1 0 339.417 1.844 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1(C[NH3+])CCCC1 ZINC000154305859 533299380 /nfs/dbraw/zinc/29/93/80/533299380.db2.gz WAOCGTXXQHTSCU-LLVKDONJSA-N 1 0 334.376 1.101 20 5 EDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000347363541 533380563 /nfs/dbraw/zinc/38/05/63/533380563.db2.gz RSFCRXXWOMRDCS-QWSHFYNQSA-N 1 0 349.431 1.623 20 5 EDBDRO Cc1ccc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000184305205 533590197 /nfs/dbraw/zinc/59/01/97/533590197.db2.gz MEXWQIQXPLBCOS-CQSZACIVSA-N 1 0 334.420 1.659 20 5 EDBDRO CS[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270386205 140090541 /nfs/dbraw/zinc/09/05/41/140090541.db2.gz RBXLVZWEBYVBAV-DTWKUNHWSA-N 1 0 327.435 1.786 20 5 EDBDRO CC[NH+](CC)[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccco1 ZINC000270771351 140165692 /nfs/dbraw/zinc/16/56/92/140165692.db2.gz HUWDWBRJKVRGQO-LLVKDONJSA-N 1 0 335.364 1.734 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)n1 ZINC000270779885 140167338 /nfs/dbraw/zinc/16/73/38/140167338.db2.gz SXQLPPNLRHXWOS-CQSZACIVSA-N 1 0 343.387 1.895 20 5 EDBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(F)cccc1F ZINC000271836051 140358506 /nfs/dbraw/zinc/35/85/06/140358506.db2.gz XRLQNELEIAERFU-GXSJLCMTSA-N 1 0 326.303 1.781 20 5 EDBDRO Cn1cc([C@H]2CCCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000331400489 141017398 /nfs/dbraw/zinc/01/73/98/141017398.db2.gz DCEIJTINXQDKET-HUUCEWRRSA-N 1 0 334.380 1.113 20 5 EDBDRO CS[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1[NH+]1CCCC1 ZINC000331485467 141037225 /nfs/dbraw/zinc/03/72/25/141037225.db2.gz BKQYBAHAXLLKAX-WCQYABFASA-N 1 0 325.438 1.340 20 5 EDBDRO CS[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1[NH+]1CCCC1 ZINC000331485464 141037233 /nfs/dbraw/zinc/03/72/33/141037233.db2.gz BKQYBAHAXLLKAX-AAEUAGOBSA-N 1 0 325.438 1.340 20 5 EDBDRO CS[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1[NH+](C)C ZINC000331527750 141043461 /nfs/dbraw/zinc/04/34/61/141043461.db2.gz QOARMHUYHUCDPC-ZIAGYGMSSA-N 1 0 335.433 1.949 20 5 EDBDRO COc1cc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)c([N+](=O)[O-])cc1O ZINC000337860566 141685880 /nfs/dbraw/zinc/68/58/80/141685880.db2.gz IUMAZRSCGOGRBA-UHFFFAOYSA-N 1 0 349.387 1.800 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(Cc3ccc(OC)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000339383658 142032577 /nfs/dbraw/zinc/03/25/77/142032577.db2.gz ATQPIIUDNSQDTC-RDJZCZTQSA-N 1 0 335.404 1.898 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1[N+](=O)[O-] ZINC000368639744 292086838 /nfs/dbraw/zinc/08/68/38/292086838.db2.gz XLHMBVGSDLDTQL-STQMWFEESA-N 1 0 339.417 1.584 20 5 EDBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC[N@@H+]1C ZINC000344960398 143031306 /nfs/dbraw/zinc/03/13/06/143031306.db2.gz AWUVZVUMAFDEDY-WDEREUQCSA-N 1 0 327.406 1.893 20 5 EDBDRO COCCN1C(=O)N[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000345686102 143121301 /nfs/dbraw/zinc/12/13/01/143121301.db2.gz OAXXRRFWWZBXIH-CVEARBPZSA-N 1 0 348.403 1.252 20 5 EDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000345922997 143147585 /nfs/dbraw/zinc/14/75/85/143147585.db2.gz PSYGWBDFDKMEIN-KBPBESRZSA-N 1 0 334.420 1.972 20 5 EDBDRO C[C@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000346148645 143172527 /nfs/dbraw/zinc/17/25/27/143172527.db2.gz XKRIUWIVRWGUQG-SNVBAGLBSA-N 1 0 327.406 1.359 20 5 EDBDRO CNc1c(C(=O)N(C)C[C@@H]2C[C@@H](OC)C[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000346700407 143234054 /nfs/dbraw/zinc/23/40/54/143234054.db2.gz PSEXBMJHURUGNB-NWDGAFQWSA-N 1 0 336.392 1.428 20 5 EDBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000346726683 143238459 /nfs/dbraw/zinc/23/84/59/143238459.db2.gz ISJCXNLWMGGLPU-NSHDSACASA-N 1 0 327.406 1.839 20 5 EDBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000346767392 143243530 /nfs/dbraw/zinc/24/35/30/143243530.db2.gz LVOWTOUTGOZNDN-ZIAGYGMSSA-N 1 0 349.435 1.554 20 5 EDBDRO C[C@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000347148813 143287916 /nfs/dbraw/zinc/28/79/16/143287916.db2.gz ARPPAXQSYFSJJB-XHDPSFHLSA-N 1 0 339.367 1.190 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347229100 143297779 /nfs/dbraw/zinc/29/77/79/143297779.db2.gz JZKJYHQELIXBPG-ZDUSSCGKSA-N 1 0 340.355 1.966 20 5 EDBDRO CCC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1nnc2ccccn21 ZINC000347652165 143345610 /nfs/dbraw/zinc/34/56/10/143345610.db2.gz QKYKTGUHOUTZKQ-ZDUSSCGKSA-N 1 0 329.364 1.965 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)c1 ZINC000572843127 306600741 /nfs/dbraw/zinc/60/07/41/306600741.db2.gz PTILCTZGGVWGIZ-ZFWWWQNUSA-N 1 0 335.360 1.196 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)C[C@H]12 ZINC000248621483 148979028 /nfs/dbraw/zinc/97/90/28/148979028.db2.gz NAZRCAIEFZDNJL-KNXALSJPSA-N 1 0 341.371 1.590 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@](C)(CO)C(C)C ZINC000352889465 149205401 /nfs/dbraw/zinc/20/54/01/149205401.db2.gz AFPAQNTVFKPGPM-OAHLLOKOSA-N 1 0 325.365 1.539 20 5 EDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@H]1C ZINC000354444143 149813911 /nfs/dbraw/zinc/81/39/11/149813911.db2.gz XOIHAJAQGLIEGE-TZMCWYRMSA-N 1 0 337.424 1.821 20 5 EDBDRO CCc1nn(C)c(N2CC[C@@H](OCC[NH+](CC)CC)C2)c1[N+](=O)[O-] ZINC000354541022 149860492 /nfs/dbraw/zinc/86/04/92/149860492.db2.gz OABQKUJHUKQEOF-CYBMUJFWSA-N 1 0 339.440 1.828 20 5 EDBDRO [NH3+]CCC1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000573620487 306626989 /nfs/dbraw/zinc/62/69/89/306626989.db2.gz JZCHDGXRKSPSHE-UHFFFAOYSA-N 1 0 344.375 1.377 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc([N+](=O)[O-])ccc3C)[C@@H]2C1 ZINC000355342219 150225687 /nfs/dbraw/zinc/22/56/87/150225687.db2.gz XXYNDOSSMKMVBL-CVEARBPZSA-N 1 0 333.388 1.838 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000355728155 150377248 /nfs/dbraw/zinc/37/72/48/150377248.db2.gz DOYXMWTUYLCKIT-PWSUYJOCSA-N 1 0 340.428 1.141 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000357569022 151070587 /nfs/dbraw/zinc/07/05/87/151070587.db2.gz KSSBFKQRBNIQAO-XHDPSFHLSA-N 1 0 337.376 1.635 20 5 EDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000370079631 155315156 /nfs/dbraw/zinc/31/51/56/155315156.db2.gz FPENMLCAZSYTFV-WWGRRREGSA-N 1 0 332.404 1.948 20 5 EDBDRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000361377840 152376717 /nfs/dbraw/zinc/37/67/17/152376717.db2.gz KUQJTZNGZSPGRM-LSDHHAIUSA-N 1 0 349.435 1.965 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363560691 153000184 /nfs/dbraw/zinc/00/01/84/153000184.db2.gz RNCNBNXBZPMBOY-RRQGHBQHSA-N 1 0 345.399 1.916 20 5 EDBDRO Nc1ccc(C(=O)N2C[C@@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000364183475 153165747 /nfs/dbraw/zinc/16/57/47/153165747.db2.gz PBPAGYDMDONQES-UKRRQHHQSA-N 1 0 344.346 1.883 20 5 EDBDRO O=C(CN1CCOC2(CCOCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000364257674 153188781 /nfs/dbraw/zinc/18/87/81/153188781.db2.gz CDSJJKPXRTVVAO-UHFFFAOYSA-N 1 0 349.387 1.805 20 5 EDBDRO Cc1csc(=O)n1CC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364327450 153206311 /nfs/dbraw/zinc/20/63/11/153206311.db2.gz JQSKSGIWWYBIRN-GFCCVEGCSA-N 1 0 337.405 1.660 20 5 EDBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000364959369 153383743 /nfs/dbraw/zinc/38/37/43/153383743.db2.gz ZGCXDCJGKDONTO-MAZHCROVSA-N 1 0 333.388 1.950 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1C ZINC000193414903 292292030 /nfs/dbraw/zinc/29/20/30/292292030.db2.gz VSEQGMXQEDURIG-CMPLNLGQSA-N 1 0 327.406 1.488 20 5 EDBDRO CC1=C(c2ccco2)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000367225349 154048173 /nfs/dbraw/zinc/04/81/73/154048173.db2.gz QXTHOCWNSOXAKH-CQSZACIVSA-N 1 0 332.360 1.925 20 5 EDBDRO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000367510002 154152267 /nfs/dbraw/zinc/15/22/67/154152267.db2.gz LBGKVEFEFPJGGW-NSHDSACASA-N 1 0 347.400 1.910 20 5 EDBDRO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000367916949 154324196 /nfs/dbraw/zinc/32/41/96/154324196.db2.gz KFIDRAQWPGYTFO-OLZOCXBDSA-N 1 0 333.392 1.892 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)[NH2+]C2CC(c3ccccn3)C2)cc1 ZINC000368020325 154371533 /nfs/dbraw/zinc/37/15/33/154371533.db2.gz VJWSEBMCHSDYTQ-GNNGFNCTSA-N 1 0 343.383 1.920 20 5 EDBDRO CCCc1n[nH]c(C(=O)NC[C@H]2CCn3ccnc3C2)c1[N+](=O)[O-] ZINC000369493063 155057150 /nfs/dbraw/zinc/05/71/50/155057150.db2.gz JRBKJHDSPYOQHI-JTQLQIEISA-N 1 0 332.364 1.459 20 5 EDBDRO COC(=O)[C@]12CCC[C@@H]1C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000371705160 156071025 /nfs/dbraw/zinc/07/10/25/156071025.db2.gz AHXSJSWHHGVKQI-UNEWFSDZSA-N 1 0 334.372 1.903 20 5 EDBDRO CO[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000371737629 156084148 /nfs/dbraw/zinc/08/41/48/156084148.db2.gz WAJDLKGTXWNAFB-OAHLLOKOSA-N 1 0 333.388 1.985 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)n1 ZINC000371979130 156192580 /nfs/dbraw/zinc/19/25/80/156192580.db2.gz PKLAXDVSUPXFGV-CQSZACIVSA-N 1 0 335.408 1.117 20 5 EDBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])s2)CCN1C1CC[NH+](C)CC1 ZINC000373873287 157042309 /nfs/dbraw/zinc/04/23/09/157042309.db2.gz VTJGGEDMEXSQNS-NSHDSACASA-N 1 0 325.438 1.656 20 5 EDBDRO O=C(NC1CCCCC1)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000374190926 157188142 /nfs/dbraw/zinc/18/81/42/157188142.db2.gz WCPOTSONXAEKSW-UHFFFAOYSA-N 1 0 349.435 1.952 20 5 EDBDRO COc1cc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c([N+](=O)[O-])cc1OC ZINC000374540086 157322625 /nfs/dbraw/zinc/32/26/25/157322625.db2.gz CANBUUAUTDFPRU-LBPRGKRZSA-N 1 0 332.360 1.982 20 5 EDBDRO COc1cc(CN2CC[NH+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000352540525 162240092 /nfs/dbraw/zinc/24/00/92/162240092.db2.gz MFNHOZRXPTZONR-UHFFFAOYSA-N 1 0 335.404 1.900 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000364615938 162337972 /nfs/dbraw/zinc/33/79/72/162337972.db2.gz YCNINALKXIQZQI-CXAGYDPISA-N 1 0 346.387 1.713 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000364615940 162339289 /nfs/dbraw/zinc/33/92/89/162339289.db2.gz YCNINALKXIQZQI-GUYCJALGSA-N 1 0 346.387 1.713 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000160162629 225351939 /nfs/dbraw/zinc/35/19/39/225351939.db2.gz GJBFKXODVMCIOW-CQSZACIVSA-N 1 0 329.422 1.945 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000122447336 222089412 /nfs/dbraw/zinc/08/94/12/222089412.db2.gz RULNKNFGVSMJAZ-LBPRGKRZSA-N 1 0 348.403 1.690 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000123178326 222230718 /nfs/dbraw/zinc/23/07/18/222230718.db2.gz PGPUTCOPEICGDT-AWEZNQCLSA-N 1 0 334.420 1.659 20 5 EDBDRO CNC(=O)CN1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000151988910 287604675 /nfs/dbraw/zinc/60/46/75/287604675.db2.gz IBAFEZHJCBNNAI-CYBMUJFWSA-N 1 0 334.420 1.764 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000237747191 273012623 /nfs/dbraw/zinc/01/26/23/273012623.db2.gz IHORXHNWPDAVGJ-GFCCVEGCSA-N 1 0 327.406 1.571 20 5 EDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000274016274 268098283 /nfs/dbraw/zinc/09/82/83/268098283.db2.gz VPLOJGHMAVKZDS-GFCCVEGCSA-N 1 0 341.433 1.946 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](CCO)C(C)C ZINC000274031134 268099506 /nfs/dbraw/zinc/09/95/06/268099506.db2.gz NSVUGFYAZQZKNK-DGCLKSJQSA-N 1 0 339.392 1.927 20 5 EDBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000274667771 268180124 /nfs/dbraw/zinc/18/01/24/268180124.db2.gz HOORVZUUVSWMSM-CQSZACIVSA-N 1 0 348.403 1.314 20 5 EDBDRO COc1cc(CCNC(=O)c2c[nH+]ccc2N)c([N+](=O)[O-])cc1OC ZINC000275796032 268373621 /nfs/dbraw/zinc/37/36/21/268373621.db2.gz OZNXEHYFTODAIS-UHFFFAOYSA-N 1 0 346.343 1.562 20 5 EDBDRO C[NH+](C)C1(CNC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CCC1 ZINC000276093116 268396057 /nfs/dbraw/zinc/39/60/57/268396057.db2.gz YCAYTIXEZOQDSJ-HNNXBMFYSA-N 1 0 346.387 1.688 20 5 EDBDRO O=[N+]([O-])c1cnc(NCc2ccccc2C[NH+]2CCC(O)CC2)nc1 ZINC000273563142 273044936 /nfs/dbraw/zinc/04/49/36/273044936.db2.gz BXSNHXSQMPNKKK-UHFFFAOYSA-N 1 0 343.387 1.954 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000273743576 273052003 /nfs/dbraw/zinc/05/20/03/273052003.db2.gz VXTXVILWWBMMRH-WFASDCNBSA-N 1 0 339.417 1.451 20 5 EDBDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000275234410 273107948 /nfs/dbraw/zinc/10/79/48/273107948.db2.gz DKVDPIMFTXCSPW-ZFWWWQNUSA-N 1 0 334.380 1.261 20 5 EDBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1(O)CCOCC1 ZINC000275622747 273114535 /nfs/dbraw/zinc/11/45/35/273114535.db2.gz UNURLJOHGVTRKO-UHFFFAOYSA-N 1 0 338.360 1.435 20 5 EDBDRO C[NH+](C)CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000155649436 272928583 /nfs/dbraw/zinc/92/85/83/272928583.db2.gz HHKZOCNQEBIILW-UHFFFAOYSA-N 1 0 348.403 1.866 20 5 EDBDRO CC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000276982775 273174188 /nfs/dbraw/zinc/17/41/88/273174188.db2.gz YQKAJAMHLCFDID-UHFFFAOYSA-N 1 0 341.433 1.974 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000277084954 273179648 /nfs/dbraw/zinc/17/96/48/273179648.db2.gz KYHCUKSFILRUMU-TZMCWYRMSA-N 1 0 339.417 1.721 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000277263812 273184618 /nfs/dbraw/zinc/18/46/18/273184618.db2.gz LUSNCIVQAZACAO-AWEZNQCLSA-N 1 0 349.387 1.729 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000277712857 273220177 /nfs/dbraw/zinc/22/01/77/273220177.db2.gz IPEPJOXHCSUQQS-ZWNOBZJWSA-N 1 0 349.309 1.392 20 5 EDBDRO CNS(=O)(=O)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279067783 273278061 /nfs/dbraw/zinc/27/80/61/273278061.db2.gz LJMJWWSBPWDFGH-ZDUSSCGKSA-N 1 0 327.406 1.456 20 5 EDBDRO O=[N+]([O-])c1ccn(CCN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000280301982 273354120 /nfs/dbraw/zinc/35/41/20/273354120.db2.gz FSJZGYOGPIYTOL-CALCHBBNSA-N 1 0 341.415 1.855 20 5 EDBDRO CC[C@@H](CO)[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000172784660 273719213 /nfs/dbraw/zinc/71/92/13/273719213.db2.gz KBSLVUUJRVXNDN-ZDUSSCGKSA-N 1 0 348.403 1.372 20 5 EDBDRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332476429 274486489 /nfs/dbraw/zinc/48/64/89/274486489.db2.gz UFZMZVZPMBKBFP-CYBMUJFWSA-N 1 0 333.388 1.448 20 5 EDBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000348535589 274515480 /nfs/dbraw/zinc/51/54/80/274515480.db2.gz ZKBCJACWTWTEMO-MYLCLEHYSA-N 1 0 346.387 1.695 20 5 EDBDRO CC[NH+]1CCN(CCNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255300451 287834994 /nfs/dbraw/zinc/83/49/94/287834994.db2.gz RFGDKFZDPKHEKM-FPLPWBNLSA-N 1 0 332.404 1.362 20 5 EDBDRO Cc1nn(C)c(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000377704917 447304755 /nfs/dbraw/zinc/30/47/55/447304755.db2.gz OCVRQMGBPKNTCA-DOMZBBRYSA-N 1 0 347.423 1.865 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420127069 277275944 /nfs/dbraw/zinc/27/59/44/277275944.db2.gz REAMMGTXZJPKKI-INIZCTEOSA-N 1 0 348.447 1.863 20 5 EDBDRO COCC[NH+](CCOC)C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000286310411 287979392 /nfs/dbraw/zinc/97/93/92/287979392.db2.gz IVRSVTIHZXHRJX-UHFFFAOYSA-N 1 0 338.408 1.553 20 5 EDBDRO C[C@H](C[NH+](C)C)Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000343804827 278178685 /nfs/dbraw/zinc/17/86/85/278178685.db2.gz JVGNYQLYSHQVTR-GFCCVEGCSA-N 1 0 336.392 1.429 20 5 EDBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000286528117 288027611 /nfs/dbraw/zinc/02/76/11/288027611.db2.gz VUOXBVRCNSWFCK-IRXDYDNUSA-N 1 0 347.415 1.849 20 5 EDBDRO C[C@H](C[NH3+])N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000178958019 279293631 /nfs/dbraw/zinc/29/36/31/279293631.db2.gz YPWNZEKSDJWBDP-SSDOTTSWSA-N 1 0 341.311 1.581 20 5 EDBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000420434644 280363479 /nfs/dbraw/zinc/36/34/79/280363479.db2.gz RMPYLXSUAIXTSB-CYBMUJFWSA-N 1 0 327.406 1.199 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290213415 288858925 /nfs/dbraw/zinc/85/89/25/288858925.db2.gz SITDDUZXPVOICE-LBPRGKRZSA-N 1 0 348.359 1.965 20 5 EDBDRO C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292081457 289256956 /nfs/dbraw/zinc/25/69/56/289256956.db2.gz DLUUACRKSSAPDP-ZDUSSCGKSA-N 1 0 346.431 2.000 20 5 EDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCN(CC[NH+]2CCCCC2)CC1 ZINC000293350209 289591480 /nfs/dbraw/zinc/59/14/80/289591480.db2.gz ZEURTDMNWWHZGL-UHFFFAOYSA-N 1 0 346.431 1.839 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000419159146 304572682 /nfs/dbraw/zinc/57/26/82/304572682.db2.gz FVMGKPBEABSAFV-JMSVASOKSA-N 1 0 348.403 1.358 20 5 EDBDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)nc2)C1 ZINC000448282486 447309466 /nfs/dbraw/zinc/30/94/66/447309466.db2.gz GHXRJROEZMXAFL-LBPRGKRZSA-N 1 0 344.375 1.711 20 5 EDBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000113248378 300317100 /nfs/dbraw/zinc/31/71/00/300317100.db2.gz OTCWXNLLSUISON-NWDGAFQWSA-N 1 0 339.417 1.671 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000422018328 447310291 /nfs/dbraw/zinc/31/02/91/447310291.db2.gz IWSISJMGDWHOHA-AWEZNQCLSA-N 1 0 348.403 1.186 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N(C)C[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000422018329 447310634 /nfs/dbraw/zinc/31/06/34/447310634.db2.gz IWSISJMGDWHOHA-CQSZACIVSA-N 1 0 348.403 1.186 20 5 EDBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000420008971 304725561 /nfs/dbraw/zinc/72/55/61/304725561.db2.gz FBHARVYQIGISPE-QGZVFWFLSA-N 1 0 337.420 1.691 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000342898224 301380864 /nfs/dbraw/zinc/38/08/64/301380864.db2.gz AAVJEMQCSVWDBV-GFCCVEGCSA-N 1 0 327.406 1.795 20 5 EDBDRO C[NH2+][C@H]1CCCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420300781 304746101 /nfs/dbraw/zinc/74/61/01/304746101.db2.gz VELBNVIBXUDDAM-LBPRGKRZSA-N 1 0 327.406 1.052 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1C ZINC000373056959 301858756 /nfs/dbraw/zinc/85/87/56/301858756.db2.gz MTRWYHBTOBQYJV-STQMWFEESA-N 1 0 339.417 1.584 20 5 EDBDRO C[C@@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000293778044 303017570 /nfs/dbraw/zinc/01/75/70/303017570.db2.gz VUZNYTGRMZNVEI-NSHDSACASA-N 1 0 334.376 1.642 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCCCC[NH+]1CCCC1 ZINC000293928159 303039791 /nfs/dbraw/zinc/03/97/91/303039791.db2.gz MQXIDIXFVUUWME-UHFFFAOYSA-N 1 0 336.392 1.139 20 5 EDBDRO COc1cc(C(=O)NCC[NH+]2CCCCC2)c([N+](=O)[O-])cc1F ZINC000294623842 303129965 /nfs/dbraw/zinc/12/99/65/303129965.db2.gz WPOMQGWUMPMTQC-UHFFFAOYSA-N 1 0 325.340 1.958 20 5 EDBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000295041463 303166353 /nfs/dbraw/zinc/16/63/53/303166353.db2.gz MRWJITVQJBFBBO-OCCSQVGLSA-N 1 0 343.449 1.833 20 5 EDBDRO CN(C)c1ncccc1O[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000295664369 303249249 /nfs/dbraw/zinc/24/92/49/303249249.db2.gz AQWXFPIRSYGEAF-ZDUSSCGKSA-N 1 0 346.391 1.406 20 5 EDBDRO C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000295778519 303265335 /nfs/dbraw/zinc/26/53/35/303265335.db2.gz XUCDNBWECGRYGJ-JSGCOSHPSA-N 1 0 348.403 1.182 20 5 EDBDRO O=C(NCC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000297174744 303368605 /nfs/dbraw/zinc/36/86/05/303368605.db2.gz KRAIXQGFLUFVOG-UHFFFAOYSA-N 1 0 348.403 1.161 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000299210181 303593184 /nfs/dbraw/zinc/59/31/84/303593184.db2.gz HIBQOINTPXKGQK-WFASDCNBSA-N 1 0 348.403 1.559 20 5 EDBDRO Cc1ccc(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000303976899 303746789 /nfs/dbraw/zinc/74/67/89/303746789.db2.gz CKFXNQDPTLIZNO-HNNXBMFYSA-N 1 0 335.404 1.726 20 5 EDBDRO O=C([C@H]1CCCCC[NH2+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000325605461 303769681 /nfs/dbraw/zinc/76/96/81/303769681.db2.gz YOSNDPRKBWYHJG-MRXNPFEDSA-N 1 0 332.404 1.776 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000367887290 304809710 /nfs/dbraw/zinc/80/97/10/304809710.db2.gz RKRNQICHYZGOGE-AWEZNQCLSA-N 1 0 325.390 1.359 20 5 EDBDRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000423114259 304887197 /nfs/dbraw/zinc/88/71/97/304887197.db2.gz ZDFWHNDAKLRNDV-LBPRGKRZSA-N 1 0 348.403 1.139 20 5 EDBDRO COC(=O)c1cc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423697262 304904701 /nfs/dbraw/zinc/90/47/01/304904701.db2.gz KPMVCZMQJGSEHN-ZWNOBZJWSA-N 1 0 335.360 1.629 20 5 EDBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000423949999 304920569 /nfs/dbraw/zinc/92/05/69/304920569.db2.gz HQSZAPZAOBKZSK-CYBMUJFWSA-N 1 0 332.364 1.279 20 5 EDBDRO COC(=O)c1cc(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423976736 304921992 /nfs/dbraw/zinc/92/19/92/304921992.db2.gz SEMRQNDOGACRPY-QLJPJBMISA-N 1 0 335.360 1.438 20 5 EDBDRO Cn1cc([C@@H]2OCC[C@H]2[NH2+]CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000425529311 304967752 /nfs/dbraw/zinc/96/77/52/304967752.db2.gz WFVVYIUPIZHTDD-CJNGLKHVSA-N 1 0 332.360 1.827 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000427585305 304993649 /nfs/dbraw/zinc/99/36/49/304993649.db2.gz FOXZLPVSRDUCRH-NHYWBVRUSA-N 1 0 343.387 1.723 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428027525 305004133 /nfs/dbraw/zinc/00/41/33/305004133.db2.gz AIGYKNIMCYLXDM-DZGCQCFKSA-N 1 0 332.404 1.916 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000428029890 305004299 /nfs/dbraw/zinc/00/42/99/305004299.db2.gz FYEMLAYWZRATFJ-OBJOEFQTSA-N 1 0 348.403 1.614 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428043422 305005330 /nfs/dbraw/zinc/00/53/30/305005330.db2.gz GJEOVWDNWCMTDW-JSGCOSHPSA-N 1 0 348.403 1.616 20 5 EDBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)C1 ZINC000428997573 305022084 /nfs/dbraw/zinc/02/20/84/305022084.db2.gz QKYLVHKRDODUAC-IIAWOOMASA-N 1 0 334.420 1.419 20 5 EDBDRO CC(C)([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000429263719 305027032 /nfs/dbraw/zinc/02/70/32/305027032.db2.gz YUKPGVIWMBZQEN-GFCCVEGCSA-N 1 0 341.433 1.701 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000430567726 305056237 /nfs/dbraw/zinc/05/62/37/305056237.db2.gz GDBSRAQHMSYCEJ-JSGCOSHPSA-N 1 0 332.404 1.543 20 5 EDBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000430834534 305065533 /nfs/dbraw/zinc/06/55/33/305065533.db2.gz XUTZECORIYBWQK-UONOGXRCSA-N 1 0 337.424 1.808 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000433837413 305113698 /nfs/dbraw/zinc/11/36/98/305113698.db2.gz TYVNGMYKUYFMMT-UHFFFAOYSA-N 1 0 327.385 1.139 20 5 EDBDRO CCOc1ccc(NC(=O)CN(C2CC2)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000435236279 305137522 /nfs/dbraw/zinc/13/75/22/305137522.db2.gz IILVEDKMKNAFGY-ZDUSSCGKSA-N 1 0 348.403 1.758 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435234699 305137601 /nfs/dbraw/zinc/13/76/01/305137601.db2.gz JJPVOQXJGWQPDH-IAQYHMDHSA-N 1 0 346.387 1.066 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441275956 305220106 /nfs/dbraw/zinc/22/01/06/305220106.db2.gz IWDSOBLJHRAXKH-DZGCQCFKSA-N 1 0 333.388 1.942 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000442175293 305226632 /nfs/dbraw/zinc/22/66/32/305226632.db2.gz QJYWTACRXLOXRY-NEPJUHHUSA-N 1 0 334.376 1.441 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446898411 305271670 /nfs/dbraw/zinc/27/16/70/305271670.db2.gz BLEKRJHRUOHEHV-LLVKDONJSA-N 1 0 346.391 1.564 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@]1(O)CC[N@H+](C)C1 ZINC000447817419 305286364 /nfs/dbraw/zinc/28/63/64/305286364.db2.gz OGRXKYGUEQXIHJ-AWEZNQCLSA-N 1 0 343.767 1.513 20 5 EDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000449119990 305307199 /nfs/dbraw/zinc/30/71/99/305307199.db2.gz BOZXIQZRJLFDCC-CJNGLKHVSA-N 1 0 334.420 1.455 20 5 EDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)N[C@H]1[C@H]1CCCO1 ZINC000449328953 305311751 /nfs/dbraw/zinc/31/17/51/305311751.db2.gz LXDMBYDLNGYWHS-YIBWGGGYSA-N 1 0 347.415 1.942 20 5 EDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449695188 305317265 /nfs/dbraw/zinc/31/72/65/305317265.db2.gz IAHJUTXKFYMPQH-NEPJUHHUSA-N 1 0 343.387 1.933 20 5 EDBDRO O=C1CNC(=O)N1CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546373 305352686 /nfs/dbraw/zinc/35/26/86/305352686.db2.gz JDPIIKOOWZGHCU-ZDUSSCGKSA-N 1 0 332.360 1.326 20 5 EDBDRO CC(C)[C@H](CO)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000451593842 305355536 /nfs/dbraw/zinc/35/55/36/305355536.db2.gz IEGXXMYOPNUEBT-HOCLYGCPSA-N 1 0 325.409 1.635 20 5 EDBDRO O=C(C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000451613401 305356348 /nfs/dbraw/zinc/35/63/48/305356348.db2.gz QQNHAMFEKMOUMO-CXAGYDPISA-N 1 0 333.388 1.920 20 5 EDBDRO COC[C@]1(CO)CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000451921953 305372711 /nfs/dbraw/zinc/37/27/11/305372711.db2.gz DGSSQYBYRRKQSQ-MRXNPFEDSA-N 1 0 340.376 1.313 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452385045 305396023 /nfs/dbraw/zinc/39/60/23/305396023.db2.gz STIRQWYCMFHUNM-CYBMUJFWSA-N 1 0 339.367 1.239 20 5 EDBDRO CNc1nc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000455554767 305443713 /nfs/dbraw/zinc/44/37/13/305443713.db2.gz NWGYULJGHWORNB-GFCCVEGCSA-N 1 0 333.392 1.732 20 5 EDBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000457359641 305487033 /nfs/dbraw/zinc/48/70/33/305487033.db2.gz SGTXIXCZQYKFIV-BXUZGUMPSA-N 1 0 329.360 1.732 20 5 EDBDRO C[C@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000516290743 305735980 /nfs/dbraw/zinc/73/59/80/305735980.db2.gz UTWKUFGHTQAKHI-GXFFZTMASA-N 1 0 328.394 1.176 20 5 EDBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000414957557 447374593 /nfs/dbraw/zinc/37/45/93/447374593.db2.gz WBCOKGDWWCVTKZ-VROVMSAKSA-N 1 0 328.275 1.536 20 5 EDBDRO COc1cc(C(=O)NC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000046272517 441097685 /nfs/dbraw/zinc/09/76/85/441097685.db2.gz HHCHEMKDHJXQON-MRVPVSSYSA-N 1 0 347.318 1.885 20 5 EDBDRO COC(=O)c1cc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000047142739 441159554 /nfs/dbraw/zinc/15/95/54/441159554.db2.gz PZJZWZHGZXGFJQ-GFCCVEGCSA-N 1 0 349.387 1.986 20 5 EDBDRO CNC(=O)c1ccc(N2CCC[N@H+](CCOC)CC2)c([N+](=O)[O-])c1 ZINC000080948102 441210906 /nfs/dbraw/zinc/21/09/06/441210906.db2.gz IXPJXLWVRAJVOY-UHFFFAOYSA-N 1 0 336.392 1.113 20 5 EDBDRO C[N@H+](CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCC1 ZINC000072721744 441254942 /nfs/dbraw/zinc/25/49/42/441254942.db2.gz JPMUKIAKOSVDIK-UHFFFAOYSA-N 1 0 332.404 1.728 20 5 EDBDRO C[NH+]1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cn3)cn2)CC1 ZINC000022874858 441287050 /nfs/dbraw/zinc/28/70/50/441287050.db2.gz BMEXLHUVPZDLRB-UHFFFAOYSA-N 1 0 328.376 1.749 20 5 EDBDRO C[C@H](CC[NH+](C)C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000073094181 441292741 /nfs/dbraw/zinc/29/27/41/441292741.db2.gz QYGVWYRKXQMVHI-LLVKDONJSA-N 1 0 337.376 1.365 20 5 EDBDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000048669097 441322519 /nfs/dbraw/zinc/32/25/19/441322519.db2.gz QBUAIALWNALXQD-UHFFFAOYSA-N 1 0 336.392 1.690 20 5 EDBDRO C[NH+](C)C1(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000073133124 441297022 /nfs/dbraw/zinc/29/70/22/441297022.db2.gz KGQRPFFXTGNKAM-UHFFFAOYSA-N 1 0 337.376 1.201 20 5 EDBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000026256852 441372079 /nfs/dbraw/zinc/37/20/79/441372079.db2.gz OQCXMILFDXTNBZ-UHFFFAOYSA-N 1 0 347.375 1.798 20 5 EDBDRO CCN1CC[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000074137555 441398175 /nfs/dbraw/zinc/39/81/75/441398175.db2.gz CXDDJYMJANWSHL-UHFFFAOYSA-N 1 0 334.420 1.742 20 5 EDBDRO O=C(CSc1ncccc1[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000065692332 441476950 /nfs/dbraw/zinc/47/69/50/441476950.db2.gz KCJDHVHEJOZHHQ-UHFFFAOYSA-N 1 0 336.417 1.825 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000030031217 441483644 /nfs/dbraw/zinc/48/36/44/441483644.db2.gz BQLZYFDNDHTZFQ-UHFFFAOYSA-N 1 0 344.375 1.332 20 5 EDBDRO C[NH+](C)CCOc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000065787698 441485288 /nfs/dbraw/zinc/48/52/88/441485288.db2.gz FTWHPQAOWWXXDO-UHFFFAOYSA-N 1 0 347.375 1.761 20 5 EDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000075718606 441551796 /nfs/dbraw/zinc/55/17/96/441551796.db2.gz IBDVSMZCMMSIQU-NWDGAFQWSA-N 1 0 342.421 1.161 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC3(C2)CCOCC3)c1 ZINC000076158426 441604574 /nfs/dbraw/zinc/60/45/74/441604574.db2.gz SKGAPTPJMGWMEH-OAHLLOKOSA-N 1 0 336.388 1.837 20 5 EDBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067190803 441615985 /nfs/dbraw/zinc/61/59/85/441615985.db2.gz NTFYGUFCVXXOKE-NSHDSACASA-N 1 0 347.371 1.580 20 5 EDBDRO C[NH+](C)CCOc1ccccc1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000076269374 441620283 /nfs/dbraw/zinc/62/02/83/441620283.db2.gz YZAZBBDOROANER-UHFFFAOYSA-N 1 0 332.364 1.520 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000114383181 441652313 /nfs/dbraw/zinc/65/23/13/441652313.db2.gz JIBWFQMHUNNYAR-UHFFFAOYSA-N 1 0 349.435 1.302 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000041423151 441653558 /nfs/dbraw/zinc/65/35/58/441653558.db2.gz NTYVUILATRLPIH-UHFFFAOYSA-N 1 0 325.365 1.302 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000121475484 441713179 /nfs/dbraw/zinc/71/31/79/441713179.db2.gz IMECKFZZCWSBJS-CYBMUJFWSA-N 1 0 348.403 1.751 20 5 EDBDRO CC1CC[NH+](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000041660152 441667304 /nfs/dbraw/zinc/66/73/04/441667304.db2.gz CUIJVPMXMGFTNK-UHFFFAOYSA-N 1 0 334.376 1.381 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000115585389 441762603 /nfs/dbraw/zinc/76/26/03/441762603.db2.gz AZUUPLHBKIYJAQ-ZDUSSCGKSA-N 1 0 341.433 1.866 20 5 EDBDRO CC(C)([NH3+])c1noc(Cn2cc(Br)c([N+](=O)[O-])n2)n1 ZINC000043403925 441837683 /nfs/dbraw/zinc/83/76/83/441837683.db2.gz BWUAGERMNJINST-UHFFFAOYSA-N 1 0 331.130 1.179 20 5 EDBDRO Cc1nn(CCC(=O)N2CCC[N@@H+](C(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000068776769 441850401 /nfs/dbraw/zinc/85/04/01/441850401.db2.gz YHRTYJOOBXIGIL-UHFFFAOYSA-N 1 0 337.424 1.741 20 5 EDBDRO COc1ccc(NC(=O)CC[N@H+](C)C[C@@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000160778602 441920372 /nfs/dbraw/zinc/92/03/72/441920372.db2.gz DHWZZCPNYKNHLU-OAHLLOKOSA-N 1 0 337.376 1.635 20 5 EDBDRO CC(C)C[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000069005710 441878480 /nfs/dbraw/zinc/87/84/80/441878480.db2.gz FSHPVOYHTZNUCD-UHFFFAOYSA-N 1 0 339.367 1.913 20 5 EDBDRO CC(C)[N@@H+]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000069081975 441886169 /nfs/dbraw/zinc/88/61/69/441886169.db2.gz KZTVKDMYKJBTNT-UHFFFAOYSA-N 1 0 346.431 1.900 20 5 EDBDRO CC[NH+](CC)[C@@H]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000078575162 441946046 /nfs/dbraw/zinc/94/60/46/441946046.db2.gz GNBTTZJTAYJYLX-LLVKDONJSA-N 1 0 331.376 1.752 20 5 EDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000161309654 441983369 /nfs/dbraw/zinc/98/33/69/441983369.db2.gz PXSGAKPIBKAIMH-RYUDHWBXSA-N 1 0 329.360 1.780 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000125132224 441988131 /nfs/dbraw/zinc/98/81/31/441988131.db2.gz LDLNKAWKIMLNOD-VXGBXAGGSA-N 1 0 327.406 1.760 20 5 EDBDRO C[C@@H]1C[C@@H](N(C)C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000175100731 442004302 /nfs/dbraw/zinc/00/43/02/442004302.db2.gz MISRNFOVFJBPPN-OCCSQVGLSA-N 1 0 348.403 1.266 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000151095281 442005055 /nfs/dbraw/zinc/00/50/55/442005055.db2.gz ONKLPJLLPMTJMY-QGZVFWFLSA-N 1 0 347.415 1.897 20 5 EDBDRO C[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000162084183 442062085 /nfs/dbraw/zinc/06/20/85/442062085.db2.gz VHWDHVHRIWAQGM-GFCCVEGCSA-N 1 0 341.433 1.539 20 5 EDBDRO COc1ccc(OCC[N@H+](C)[C@@H](C)C[S@](C)=O)c([N+](=O)[O-])c1 ZINC000126328280 442100565 /nfs/dbraw/zinc/10/05/65/442100565.db2.gz GCFPBHVZHHBYSB-KPWVOAKYSA-N 1 0 330.406 1.681 20 5 EDBDRO C[C@H](CCNC(=O)c1[nH]ncc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000126860141 442148810 /nfs/dbraw/zinc/14/88/10/442148810.db2.gz PRJQVAGREPLOHY-GFCCVEGCSA-N 1 0 331.376 1.958 20 5 EDBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1(O)CCCC1 ZINC000152161908 442173767 /nfs/dbraw/zinc/17/37/67/442173767.db2.gz PBLBXKCQCSBCRP-UHFFFAOYSA-N 1 0 333.388 1.721 20 5 EDBDRO Cc1ccc([C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[NH+]2CCCC2)o1 ZINC000170633778 442239140 /nfs/dbraw/zinc/23/91/40/442239140.db2.gz OXNKYURMKDLYGV-AWEZNQCLSA-N 1 0 347.375 1.646 20 5 EDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000176877391 442266009 /nfs/dbraw/zinc/26/60/09/442266009.db2.gz JCXBWXUDTNGKBC-ZDUSSCGKSA-N 1 0 339.392 1.690 20 5 EDBDRO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000170844988 442274167 /nfs/dbraw/zinc/27/41/67/442274167.db2.gz HWOVCFSWRJGCHS-SNVBAGLBSA-N 1 0 340.767 1.349 20 5 EDBDRO Cc1nn(C)c(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000128562096 442274834 /nfs/dbraw/zinc/27/48/34/442274834.db2.gz UQGJWRJPAXACPK-SDDRHHMPSA-N 1 0 337.424 1.733 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000171629337 442364317 /nfs/dbraw/zinc/36/43/17/442364317.db2.gz UXMMURBLUFSRBK-SNVBAGLBSA-N 1 0 343.405 1.351 20 5 EDBDRO C[NH+](C)C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000155203571 442381902 /nfs/dbraw/zinc/38/19/02/442381902.db2.gz VBJXWFAWWGBYTD-ZDUSSCGKSA-N 1 0 325.340 1.065 20 5 EDBDRO Cc1c(CC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000132121596 442387873 /nfs/dbraw/zinc/38/78/73/442387873.db2.gz FRZPLOVFPXBFMD-INIZCTEOSA-N 1 0 349.431 1.655 20 5 EDBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000132242263 442389475 /nfs/dbraw/zinc/38/94/75/442389475.db2.gz FJLJKPIWFYQFJM-CQSZACIVSA-N 1 0 331.376 1.080 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000172023269 442400825 /nfs/dbraw/zinc/40/08/25/442400825.db2.gz CDIPGYDANJTCSP-CYBMUJFWSA-N 1 0 341.433 1.866 20 5 EDBDRO CCCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178858526 442504850 /nfs/dbraw/zinc/50/48/50/442504850.db2.gz CPDRMPFAQILPMY-HOCLYGCPSA-N 1 0 335.404 1.866 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000191773657 442508893 /nfs/dbraw/zinc/50/88/93/442508893.db2.gz YVSHUHSCUXLFBF-STQMWFEESA-N 1 0 337.424 1.909 20 5 EDBDRO O=[N+]([O-])c1cnn(CCN2CCN(Cc3cccc(F)c3)CC2)c1 ZINC000178773615 442480583 /nfs/dbraw/zinc/48/05/83/442480583.db2.gz HAKXGSFRZYPGQP-UHFFFAOYSA-N 1 0 333.367 1.748 20 5 EDBDRO CCc1n[nH]c(C(=O)N2CC[N@H+](C)CC23CCCCC3)c1[N+](=O)[O-] ZINC000192664385 442674883 /nfs/dbraw/zinc/67/48/83/442674883.db2.gz BQQDCGSKDDUUAI-UHFFFAOYSA-N 1 0 335.408 1.971 20 5 EDBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000192941878 442700487 /nfs/dbraw/zinc/70/04/87/442700487.db2.gz KHEAVNCFJOLNQH-UHFFFAOYSA-N 1 0 345.421 1.566 20 5 EDBDRO Cc1c([C@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cnn1C ZINC000193141909 442717103 /nfs/dbraw/zinc/71/71/03/442717103.db2.gz RKTXYMDEVZXLQK-FZMZJTMJSA-N 1 0 334.376 1.727 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000182235040 442748778 /nfs/dbraw/zinc/74/87/78/442748778.db2.gz GZLHREDIFUHEBZ-LLVKDONJSA-N 1 0 335.360 1.737 20 5 EDBDRO C[N@H+](CCc1nccs1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182245745 442749828 /nfs/dbraw/zinc/74/98/28/442749828.db2.gz OEICIOJMBPVRBQ-LBPRGKRZSA-N 1 0 337.401 1.966 20 5 EDBDRO C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181677187 442709362 /nfs/dbraw/zinc/70/93/62/442709362.db2.gz NIMPOFPBISHRDK-UONOGXRCSA-N 1 0 349.435 1.951 20 5 EDBDRO C[C@@H]1CN(CCN(C)C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000193945270 442816330 /nfs/dbraw/zinc/81/63/30/442816330.db2.gz GKHDGAGPHXZLPD-TXEJJXNPSA-N 1 0 337.380 1.563 20 5 EDBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[NH+]2CCC1CC2 ZINC000188854113 442827978 /nfs/dbraw/zinc/82/79/78/442827978.db2.gz AELIBIWSGCJJGF-UHFFFAOYSA-N 1 0 341.371 1.701 20 5 EDBDRO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000189133435 442884211 /nfs/dbraw/zinc/88/42/11/442884211.db2.gz ZWNQJKOODMPTQT-AWEZNQCLSA-N 1 0 343.449 1.991 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000268193898 442893823 /nfs/dbraw/zinc/89/38/23/442893823.db2.gz WYHCUOQKUCYXPX-BXUZGUMPSA-N 1 0 339.417 1.664 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1[N+](=O)[O-] ZINC000189210926 442898489 /nfs/dbraw/zinc/89/84/89/442898489.db2.gz APKDUHCVNABJKW-UHFFFAOYSA-N 1 0 347.396 1.985 20 5 EDBDRO CC[C@H]1CN(c2c([N+](=O)[O-])c(C)nn2CC)CC[N@@H+]1C[C@H](C)O ZINC000248660925 442914362 /nfs/dbraw/zinc/91/43/62/442914362.db2.gz DUKAJBPRSPTCTA-AAEUAGOBSA-N 1 0 325.413 1.401 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC2=CC[NH2+]CC2)c1C ZINC000189298362 442915278 /nfs/dbraw/zinc/91/52/78/442915278.db2.gz KWPLTDGXFRJWBY-UHFFFAOYSA-N 1 0 325.390 1.410 20 5 EDBDRO C[C@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000268279836 442929709 /nfs/dbraw/zinc/92/97/09/442929709.db2.gz WCBTVJNBROMUAV-ZBEGNZNMSA-N 1 0 332.404 1.873 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc([N+](=O)[O-])c1OC ZINC000265910911 442966534 /nfs/dbraw/zinc/96/65/34/442966534.db2.gz TWDREHHRVAAUEW-CHWSQXEVSA-N 1 0 349.387 1.969 20 5 EDBDRO CN(c1ncc([N+](=O)[O-])c(N)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268461160 442996867 /nfs/dbraw/zinc/99/68/67/442996867.db2.gz DXUHBENPFTZUEM-CYBMUJFWSA-N 1 0 328.376 1.678 20 5 EDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC1(O)CCOCC1 ZINC000189753332 443003313 /nfs/dbraw/zinc/00/33/13/443003313.db2.gz DBKYHVSFNXKEFE-GFCCVEGCSA-N 1 0 337.376 1.395 20 5 EDBDRO CN(CC(=O)N1CC[NH+](C2CCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000266322811 443097373 /nfs/dbraw/zinc/09/73/73/443097373.db2.gz QCSWYZIJNZLXFM-UHFFFAOYSA-N 1 0 332.404 1.728 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000184915581 443098003 /nfs/dbraw/zinc/09/80/03/443098003.db2.gz YGAQBGAWGCWRFO-CCEZHUSRSA-N 1 0 346.431 1.752 20 5 EDBDRO C[NH+]1CCN(CCCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000209254385 443050450 /nfs/dbraw/zinc/05/04/50/443050450.db2.gz BBCFXKUTKASNSJ-SREVYHEPSA-N 1 0 332.404 1.362 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C[NH3+])CC(C)C)c1C ZINC000236624981 443140677 /nfs/dbraw/zinc/14/06/77/443140677.db2.gz ROUYCMGDAYGGSI-GFCCVEGCSA-N 1 0 329.422 1.863 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2ccccc2F)C2CC2)c1 ZINC000266400333 443117238 /nfs/dbraw/zinc/11/72/38/443117238.db2.gz DTZDGQUSOUAWDV-OAHLLOKOSA-N 1 0 334.351 1.956 20 5 EDBDRO C[C@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000261684824 443165028 /nfs/dbraw/zinc/16/50/28/443165028.db2.gz DNCGHOYFWBRIGL-AAEUAGOBSA-N 1 0 344.375 1.375 20 5 EDBDRO CC[C@@H]([NH2+]CC1CN(S(=O)(=O)CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000190687119 443165380 /nfs/dbraw/zinc/16/53/80/443165380.db2.gz FCJANZWXHCXQHG-OAHLLOKOSA-N 1 0 341.433 1.917 20 5 EDBDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000185237016 443167063 /nfs/dbraw/zinc/16/70/63/443167063.db2.gz FBXYCROZYGCPTK-UHFFFAOYSA-N 1 0 331.369 1.449 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000261743176 443167350 /nfs/dbraw/zinc/16/73/50/443167350.db2.gz OGPZWGXCZRRIQJ-NWDGAFQWSA-N 1 0 338.412 1.038 20 5 EDBDRO C[C@@H]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@@H]1C[NH3+] ZINC000237452685 443172785 /nfs/dbraw/zinc/17/27/85/443172785.db2.gz KGEFHWAPNQQMES-MLGOLLRUSA-N 1 0 343.387 1.980 20 5 EDBDRO C[C@@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000261995212 443178415 /nfs/dbraw/zinc/17/84/15/443178415.db2.gz UHXNIFVUHZIENB-YGRLFVJLSA-N 1 0 327.406 1.562 20 5 EDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000237799671 443182874 /nfs/dbraw/zinc/18/28/74/443182874.db2.gz RYZNRRDRDZTEOW-MFKMUULPSA-N 1 0 330.348 1.033 20 5 EDBDRO C[C@H](O)C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](C)CO ZINC000190836210 443192266 /nfs/dbraw/zinc/19/22/66/443192266.db2.gz MWMMKVVMDXVHLD-STQMWFEESA-N 1 0 349.387 1.856 20 5 EDBDRO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000324753349 318944191 /nfs/dbraw/zinc/94/41/91/318944191.db2.gz UODNAPGUFHTSOL-OLZOCXBDSA-N 1 0 333.392 1.156 20 5 EDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000266697489 443211715 /nfs/dbraw/zinc/21/17/15/443211715.db2.gz XERSMNHAKAAGRR-STQMWFEESA-N 1 0 341.433 1.917 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)c1 ZINC000262802173 443213293 /nfs/dbraw/zinc/21/32/93/443213293.db2.gz VVQAJWMXCVYGOY-NXEZZACHSA-N 1 0 347.824 1.928 20 5 EDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000185555929 443218891 /nfs/dbraw/zinc/21/88/91/443218891.db2.gz AWBDSWQGOFCONN-XHDPSFHLSA-N 1 0 345.403 1.661 20 5 EDBDRO CCc1[nH]nc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)c1[N+](=O)[O-] ZINC000351260617 319098831 /nfs/dbraw/zinc/09/88/31/319098831.db2.gz DMZHNVZNYGKWQT-SCZZXKLOSA-N 1 0 334.336 1.466 20 5 EDBDRO COC(=O)[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@H+](C)C1 ZINC000413493492 319270773 /nfs/dbraw/zinc/27/07/73/319270773.db2.gz FRAHGGUIONRIDL-ZDUSSCGKSA-N 1 0 344.371 1.684 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415893704 319382366 /nfs/dbraw/zinc/38/23/66/319382366.db2.gz NRKLYLUNWPOLFI-STQMWFEESA-N 1 0 346.387 1.218 20 5 EDBDRO CNC(=O)c1ccc(N[C@@H](C)CN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000264419958 443285295 /nfs/dbraw/zinc/28/52/95/443285295.db2.gz QXSBXPHICWNVEV-LBPRGKRZSA-N 1 0 335.408 1.002 20 5 EDBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185861052 443270727 /nfs/dbraw/zinc/27/07/27/443270727.db2.gz WRGQJCWIRZQHCH-ZDUSSCGKSA-N 1 0 341.433 1.947 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1 ZINC000264593811 443338977 /nfs/dbraw/zinc/33/89/77/443338977.db2.gz BLZYWINQBSQHNY-UHFFFAOYSA-N 1 0 335.360 1.549 20 5 EDBDRO Cn1cccc1[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266950294 443299657 /nfs/dbraw/zinc/29/96/57/443299657.db2.gz UCHGYYGVJQTFBR-GDBMZVCRSA-N 1 0 333.392 1.718 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000267233203 443387528 /nfs/dbraw/zinc/38/75/28/443387528.db2.gz WTUXPCRMXFRVAZ-CYBMUJFWSA-N 1 0 341.433 1.784 20 5 EDBDRO C[NH+](C)[C@]1(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000267234349 443387658 /nfs/dbraw/zinc/38/76/58/443387658.db2.gz WZWKUUNYSAKAAL-HNNXBMFYSA-N 1 0 338.433 1.831 20 5 EDBDRO CCCc1n[nH]c(C(=O)N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000264609276 443345383 /nfs/dbraw/zinc/34/53/83/443345383.db2.gz NOMNQFTUEWYNLF-UHFFFAOYSA-N 1 0 335.408 1.971 20 5 EDBDRO CCNC(=O)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278508230 443350394 /nfs/dbraw/zinc/35/03/94/443350394.db2.gz RENWKGYSDVTFPP-UHFFFAOYSA-N 1 0 346.391 1.119 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N1CCC(C[NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000419163935 319565285 /nfs/dbraw/zinc/56/52/85/319565285.db2.gz LZDMZVYRAPXSRH-HNNXBMFYSA-N 1 0 348.403 1.359 20 5 EDBDRO C[C@@]1(F)C[NH2+]CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000420325195 319609517 /nfs/dbraw/zinc/60/95/17/319609517.db2.gz CQTZNTWOXGARQO-OAHLLOKOSA-N 1 0 335.339 1.778 20 5 EDBDRO [NH3+][C@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000420438467 319619469 /nfs/dbraw/zinc/61/94/69/319619469.db2.gz RJSXRBMTAHTDOS-ZKCHVHJHSA-N 1 0 339.295 1.382 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)[C@H]2C1 ZINC000272661943 443400588 /nfs/dbraw/zinc/40/05/88/443400588.db2.gz ROQJJSJKSDUKJI-GWCFXTLKSA-N 1 0 333.344 1.490 20 5 EDBDRO C[NH+]1CCC(O)(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000267592743 443507603 /nfs/dbraw/zinc/50/76/03/443507603.db2.gz HRRQYHTWHBUZKK-UHFFFAOYSA-N 1 0 327.768 1.435 20 5 EDBDRO C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000273016270 443519095 /nfs/dbraw/zinc/51/90/95/443519095.db2.gz SCUCFPILXQYQCH-IAQYHMDHSA-N 1 0 332.360 1.156 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CO)c2ccc(Cl)cc2)c1 ZINC000272934723 443494309 /nfs/dbraw/zinc/49/43/09/443494309.db2.gz VZWLXSBAYHZIGZ-ZIAGYGMSSA-N 1 0 340.767 1.129 20 5 EDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000286029270 443629083 /nfs/dbraw/zinc/62/90/83/443629083.db2.gz KEFIUCCXAMLLIG-XIZWVBILSA-N 1 0 344.371 1.965 20 5 EDBDRO O=c1cc2c(n[nH]1)CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000274883293 443614219 /nfs/dbraw/zinc/61/42/19/443614219.db2.gz OARAAZBOKXTKEV-UHFFFAOYSA-N 1 0 330.344 1.505 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272401828 443614579 /nfs/dbraw/zinc/61/45/79/443614579.db2.gz ZNTILCKSAMUCGA-SWLSCSKDSA-N 1 0 346.387 1.394 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000440854875 320083897 /nfs/dbraw/zinc/08/38/97/320083897.db2.gz DERYBOZCLDAISV-RYUDHWBXSA-N 1 0 327.406 1.760 20 5 EDBDRO Cc1c(C(=O)NCC[C@H]2CCC[NH2+]2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000444261471 320123353 /nfs/dbraw/zinc/12/33/53/320123353.db2.gz YDWIRNWBTDUSAO-GFCCVEGCSA-N 1 0 344.375 1.356 20 5 EDBDRO [NH3+]CC[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(F)F ZINC000449612849 320194593 /nfs/dbraw/zinc/19/45/93/320194593.db2.gz OYORWQIFEGYHMV-NSHDSACASA-N 1 0 339.302 1.493 20 5 EDBDRO COc1cc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000449645600 320196443 /nfs/dbraw/zinc/19/64/43/320196443.db2.gz MCUGDCFLUNXPGC-CMPLNLGQSA-N 1 0 337.376 1.859 20 5 EDBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000449663390 320198394 /nfs/dbraw/zinc/19/83/94/320198394.db2.gz ABNMFVNESYNINF-WBVHZDCISA-N 1 0 349.387 1.328 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000452098018 320241156 /nfs/dbraw/zinc/24/11/56/320241156.db2.gz SLSKFOGUMQYSIN-LBPRGKRZSA-N 1 0 327.406 1.698 20 5 EDBDRO O=C(NCC[N@@H+]1CCCOCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000454994174 320298435 /nfs/dbraw/zinc/29/84/35/320298435.db2.gz DWWBXMALWPOYAD-UHFFFAOYSA-N 1 0 348.403 1.385 20 5 EDBDRO C[C@H]1NC(=O)N(CC[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000459519058 320348478 /nfs/dbraw/zinc/34/84/78/320348478.db2.gz SBAYHFJPHFKHGF-OCCSQVGLSA-N 1 0 346.387 1.715 20 5 EDBDRO CC[NH+]1CCN(CCCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000491200401 320366715 /nfs/dbraw/zinc/36/67/15/320366715.db2.gz PRIOIDXMDXAXIN-TWGQIWQCSA-N 1 0 346.431 1.752 20 5 EDBDRO C[C@H](O)C[N@H+](C)C1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000492742068 320384436 /nfs/dbraw/zinc/38/44/36/320384436.db2.gz WWJAZEKDBSSDIL-UZYOAWRESA-N 1 0 347.415 1.912 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000492783980 320386154 /nfs/dbraw/zinc/38/61/54/320386154.db2.gz RTBPRUORDYJWCB-OZXVRYSVSA-N 1 0 349.362 1.679 20 5 EDBDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)C1CC1 ZINC000286249614 443676743 /nfs/dbraw/zinc/67/67/43/443676743.db2.gz ZLOKVGZTLXLDGF-HNNXBMFYSA-N 1 0 343.387 1.958 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000298465889 443775364 /nfs/dbraw/zinc/77/53/64/443775364.db2.gz IKKVPSNLUHPZGT-JKSUJKDBSA-N 1 0 348.403 1.328 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000298465884 443775871 /nfs/dbraw/zinc/77/58/71/443775871.db2.gz IKKVPSNLUHPZGT-HZPDHXFCSA-N 1 0 348.403 1.328 20 5 EDBDRO C[C@@H](O)C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H](C)CO ZINC000276816422 443837783 /nfs/dbraw/zinc/83/77/83/443837783.db2.gz VPMVJRPVDJNYES-NXEZZACHSA-N 1 0 347.209 1.921 20 5 EDBDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000298759422 443860651 /nfs/dbraw/zinc/86/06/51/443860651.db2.gz ZBMZWHTYZULHCJ-GFCCVEGCSA-N 1 0 341.795 1.825 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000277064252 443899192 /nfs/dbraw/zinc/89/91/92/443899192.db2.gz KKRJXWYGOYLKPF-UHFFFAOYSA-N 1 0 349.387 1.540 20 5 EDBDRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000298807134 443873697 /nfs/dbraw/zinc/87/36/97/443873697.db2.gz QVDFGFJMCLBJGV-LBPRGKRZSA-N 1 0 335.360 1.727 20 5 EDBDRO CCN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000285308544 443936553 /nfs/dbraw/zinc/93/65/53/443936553.db2.gz LXISAOWMPDWDTJ-LBPRGKRZSA-N 1 0 327.406 1.618 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000285239992 443908746 /nfs/dbraw/zinc/90/87/46/443908746.db2.gz LEPIZRFDWLOOQJ-HZPDHXFCSA-N 1 0 347.415 1.804 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285246323 443911078 /nfs/dbraw/zinc/91/10/78/443911078.db2.gz LOYUHNVKIXZYRF-KORIGIIASA-N 1 0 345.399 1.930 20 5 EDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1 ZINC000285441899 443986032 /nfs/dbraw/zinc/98/60/32/443986032.db2.gz IEFJLYZNVIDJEU-CYBMUJFWSA-N 1 0 339.417 1.641 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCOC[C@H]1C ZINC000277524687 443999769 /nfs/dbraw/zinc/99/97/69/443999769.db2.gz RBBWYTMGBUCSRK-DGCLKSJQSA-N 1 0 337.376 1.947 20 5 EDBDRO CC[N@H+](CCOCCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000281900587 444035178 /nfs/dbraw/zinc/03/51/78/444035178.db2.gz BLDWQLFFODWKBD-UHFFFAOYSA-N 1 0 339.392 1.563 20 5 EDBDRO CN(CC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1[N+](=O)[O-] ZINC000289104994 444054636 /nfs/dbraw/zinc/05/46/36/444054636.db2.gz CKNXFNNBIWELJS-QGZVFWFLSA-N 1 0 332.404 1.633 20 5 EDBDRO Cc1ccc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)cc1[N+](=O)[O-] ZINC000285643580 444058819 /nfs/dbraw/zinc/05/88/19/444058819.db2.gz ZLCWCRWYRFQJGL-UHFFFAOYSA-N 1 0 332.360 1.514 20 5 EDBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)S(C)(=O)=O ZINC000564813405 321148346 /nfs/dbraw/zinc/14/83/46/321148346.db2.gz MRALHADLXASRFO-IJLUTSLNSA-N 1 0 330.410 1.298 20 5 EDBDRO Cc1nc(CC[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)no1 ZINC000299615881 444096120 /nfs/dbraw/zinc/09/61/20/444096120.db2.gz PDIFFHRBHAVNGJ-CYBMUJFWSA-N 1 0 336.348 1.200 20 5 EDBDRO O=C1[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]2CCCCN12 ZINC000565653545 321195217 /nfs/dbraw/zinc/19/52/17/321195217.db2.gz FLHCQMRHGVDYQK-MGPQQGTHSA-N 1 0 349.387 1.078 20 5 EDBDRO CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000565909082 321205958 /nfs/dbraw/zinc/20/59/58/321205958.db2.gz AZOBGKQDYLXVTH-UHFFFAOYSA-N 1 0 342.421 1.386 20 5 EDBDRO COCCC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000567605138 321247781 /nfs/dbraw/zinc/24/77/81/321247781.db2.gz DUPNVJWMEZOPNF-CQSZACIVSA-N 1 0 326.397 1.339 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2Cc3ccccc3O2)c1 ZINC000569023553 321315538 /nfs/dbraw/zinc/31/55/38/321315538.db2.gz REKIRYDYFXLLKP-RDJZCZTQSA-N 1 0 344.367 1.928 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2Cc3ccccc3O2)c1 ZINC000569023552 321315577 /nfs/dbraw/zinc/31/55/77/321315577.db2.gz REKIRYDYFXLLKP-NVXWUHKLSA-N 1 0 344.367 1.928 20 5 EDBDRO C[C@@H](CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000570513188 321343927 /nfs/dbraw/zinc/34/39/27/321343927.db2.gz FUURXSSSYQDGTI-UONOGXRCSA-N 1 0 349.435 1.981 20 5 EDBDRO CC[C@@H](C)[C@@H](O)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570515416 321344181 /nfs/dbraw/zinc/34/41/81/321344181.db2.gz HGLWWXVANJRHAW-RISCZKNCSA-N 1 0 330.406 1.365 20 5 EDBDRO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000285866220 444134379 /nfs/dbraw/zinc/13/43/79/444134379.db2.gz HRUVGKVAUZOZIK-CVEARBPZSA-N 1 0 348.403 1.850 20 5 EDBDRO CCN1CC[NH+](C[C@H](C)CNc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000302621252 444218303 /nfs/dbraw/zinc/21/83/03/444218303.db2.gz DOMQYJQHBVYXEO-CYBMUJFWSA-N 1 0 347.423 1.323 20 5 EDBDRO O=c1c2c(ncn1Cc1c(F)cc([N+](=O)[O-])cc1F)CC[NH2+]CC2 ZINC000575745785 321525443 /nfs/dbraw/zinc/52/54/43/321525443.db2.gz RSUOVKNCLZSOTG-UHFFFAOYSA-N 1 0 336.298 1.166 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCN1CCC([NH+](C)C)CC1 ZINC000301561715 444179950 /nfs/dbraw/zinc/17/99/50/444179950.db2.gz UMSBWXRIUDGXAY-UHFFFAOYSA-N 1 0 349.435 1.392 20 5 EDBDRO CC(C)[NH2+]CCCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000575987885 321539056 /nfs/dbraw/zinc/53/90/56/321539056.db2.gz PHVKLMPANHOFNJ-UHFFFAOYSA-N 1 0 329.422 1.445 20 5 EDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000295512000 444187535 /nfs/dbraw/zinc/18/75/35/444187535.db2.gz QASFQNVWOZSQFP-HNNXBMFYSA-N 1 0 335.404 1.490 20 5 EDBDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000289755825 444199543 /nfs/dbraw/zinc/19/95/43/444199543.db2.gz WQHCVRVREYUPFT-SJORKVTESA-N 1 0 346.431 1.878 20 5 EDBDRO COc1cc[nH+]c(N2CCN(c3cc(CO)ccc3[N+](=O)[O-])CC2)c1 ZINC000302026322 444201278 /nfs/dbraw/zinc/20/12/78/444201278.db2.gz IBLYLBQXJMUVLB-UHFFFAOYSA-N 1 0 344.371 1.817 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2cccc(CO)c2)c1 ZINC000576864319 321602767 /nfs/dbraw/zinc/60/27/67/321602767.db2.gz RUDCNKGYTWCKMG-MRXNPFEDSA-N 1 0 332.356 1.617 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000577179576 321630181 /nfs/dbraw/zinc/63/01/81/321630181.db2.gz XIBSYDBEZVGZFV-UHFFFAOYSA-N 1 0 332.404 1.817 20 5 EDBDRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000296550301 444238297 /nfs/dbraw/zinc/23/82/97/444238297.db2.gz YXGJBXCQAGJVOM-LBPRGKRZSA-N 1 0 341.795 1.825 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC[C@H]1[NH3+] ZINC000317204091 444314619 /nfs/dbraw/zinc/31/46/19/444314619.db2.gz IRUVZCXNYBNWFZ-WCQYABFASA-N 1 0 327.406 1.651 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000318886934 444321643 /nfs/dbraw/zinc/32/16/43/444321643.db2.gz GLELNKBRYUZEDT-JTQLQIEISA-N 1 0 329.378 1.024 20 5 EDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000577714308 321675578 /nfs/dbraw/zinc/67/55/78/321675578.db2.gz IVQIZIHGKPHQNP-AEJSXWLSSA-N 1 0 345.446 1.623 20 5 EDBDRO [NH3+]C1(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCCCC1 ZINC000324676927 444356608 /nfs/dbraw/zinc/35/66/08/444356608.db2.gz NFUQYUNCTZEBCM-UHFFFAOYSA-N 1 0 333.392 1.300 20 5 EDBDRO COc1cc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])cc1OC ZINC000325304578 444363872 /nfs/dbraw/zinc/36/38/72/444363872.db2.gz VGRVDCVVYYPLTR-VXGBXAGGSA-N 1 0 337.376 1.887 20 5 EDBDRO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000325986544 444371667 /nfs/dbraw/zinc/37/16/67/444371667.db2.gz BYJJIEDCEYZRNR-OCCSQVGLSA-N 1 0 333.392 1.027 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000319932889 444326947 /nfs/dbraw/zinc/32/69/47/444326947.db2.gz BERBUUKNGTZEGT-BXUZGUMPSA-N 1 0 327.406 1.509 20 5 EDBDRO CS(=O)(=O)c1ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000320058823 444327622 /nfs/dbraw/zinc/32/76/22/444327622.db2.gz UILYXKBAJSCSIM-LLVKDONJSA-N 1 0 339.417 1.895 20 5 EDBDRO CCC[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC ZINC000578741307 321822296 /nfs/dbraw/zinc/82/22/96/321822296.db2.gz PYGZANIPHIIPRF-ZDUSSCGKSA-N 1 0 330.406 1.773 20 5 EDBDRO Cc1cc(N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000327200409 444381543 /nfs/dbraw/zinc/38/15/43/444381543.db2.gz HSJOBXRJSWGXEG-ZBFHGGJFSA-N 1 0 346.431 1.988 20 5 EDBDRO Cc1c(C[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000331192480 444438217 /nfs/dbraw/zinc/43/82/17/444438217.db2.gz QKTDIVXOGCGESK-KBPBESRZSA-N 1 0 341.433 1.853 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000332654422 444524645 /nfs/dbraw/zinc/52/46/45/444524645.db2.gz YYPYKSJRXYYPKD-MNOVXSKESA-N 1 0 335.360 1.579 20 5 EDBDRO CC[C@@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000341026059 444639597 /nfs/dbraw/zinc/63/95/97/444639597.db2.gz ILMZKKKRXOFLNV-BXUZGUMPSA-N 1 0 335.360 1.596 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000341039415 444646924 /nfs/dbraw/zinc/64/69/24/444646924.db2.gz NDBHWHRKQRRTQU-UHFFFAOYSA-N 1 0 332.408 1.833 20 5 EDBDRO O=C1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2(CCC2)N1 ZINC000338632596 444783933 /nfs/dbraw/zinc/78/39/33/444783933.db2.gz IZSMYDUYHRFLQZ-ZDUSSCGKSA-N 1 0 329.360 1.762 20 5 EDBDRO C[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C[NH+](C)C ZINC000341273801 444756818 /nfs/dbraw/zinc/75/68/18/444756818.db2.gz XVFXLUSCDSSGCP-GFCCVEGCSA-N 1 0 331.376 1.708 20 5 EDBDRO CN(C(=O)C[NH2+][C@H]1CCC(=O)NC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000338592566 444762163 /nfs/dbraw/zinc/76/21/63/444762163.db2.gz NONSNAIBDWJBCS-ZDUSSCGKSA-N 1 0 334.376 1.204 20 5 EDBDRO COCC[NH+]1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344230122 444851578 /nfs/dbraw/zinc/85/15/78/444851578.db2.gz YGHSBYBOAZSRHQ-UHFFFAOYSA-N 1 0 325.340 1.575 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000344432163 444966883 /nfs/dbraw/zinc/96/68/83/444966883.db2.gz SRJQGJGWNDJYAW-AAEUAGOBSA-N 1 0 334.376 1.441 20 5 EDBDRO C[C@H]1[C@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC[N@@H+]1C ZINC000343450189 445225233 /nfs/dbraw/zinc/22/52/33/445225233.db2.gz QQBOKLQYISNZTN-WCQYABFASA-N 1 0 349.387 1.507 20 5 EDBDRO COCC[NH+](CCOC)C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000343521150 445237957 /nfs/dbraw/zinc/23/79/57/445237957.db2.gz PHZFUUOLNSDBLO-UHFFFAOYSA-N 1 0 338.408 1.553 20 5 EDBDRO COCC[NH+](CCOC)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000343524397 445238564 /nfs/dbraw/zinc/23/85/64/445238564.db2.gz MGNJLINSLFHKSQ-UHFFFAOYSA-N 1 0 338.408 1.553 20 5 EDBDRO COc1ccc(NC(=O)CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000348185867 445309899 /nfs/dbraw/zinc/30/98/99/445309899.db2.gz ABIGPAXMXCJNJB-CYBMUJFWSA-N 1 0 348.403 1.710 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357092363 445423297 /nfs/dbraw/zinc/42/32/97/445423297.db2.gz USUPJQTXVFCKGR-STQMWFEESA-N 1 0 348.403 1.473 20 5 EDBDRO CC(C)(C(=O)NCCCCC[NH+]1CCCC1)n1cc([N+](=O)[O-])cn1 ZINC000357093389 445423442 /nfs/dbraw/zinc/42/34/42/445423442.db2.gz ISFGPOQKBZTCCK-UHFFFAOYSA-N 1 0 337.424 1.909 20 5 EDBDRO C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000359810856 445440001 /nfs/dbraw/zinc/44/00/01/445440001.db2.gz PUBKRLPDXPIOPZ-TZMCWYRMSA-N 1 0 343.387 1.721 20 5 EDBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000360007321 445524797 /nfs/dbraw/zinc/52/47/97/445524797.db2.gz OYLHGUVMJQDXAM-JTQLQIEISA-N 1 0 333.385 1.743 20 5 EDBDRO CC(C)(C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)OCCO ZINC000352495728 445533631 /nfs/dbraw/zinc/53/36/31/445533631.db2.gz OEWYWQKGQAAMEI-QWHCGFSZSA-N 1 0 326.397 1.652 20 5 EDBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000362818853 445564431 /nfs/dbraw/zinc/56/44/31/445564431.db2.gz WNIBAQAVGOODDD-BZPMIXESSA-N 1 0 333.392 1.200 20 5 EDBDRO COC[C@](C)([NH3+])CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000360646123 445719719 /nfs/dbraw/zinc/71/97/19/445719719.db2.gz KFSZOAXHLMSZLI-QGZVFWFLSA-N 1 0 346.387 2.345 20 5 EDBDRO C[C@@H](NC(=O)NCCNc1cc[nH+]cc1)c1cccc([N+](=O)[O-])c1 ZINC000356190218 445668738 /nfs/dbraw/zinc/66/87/38/445668738.db2.gz OODMUKZIWBBONJ-GFCCVEGCSA-N 1 0 329.360 1.884 20 5 EDBDRO CC(C)(C)C1=CC[N@H+](CCNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000356419765 445781154 /nfs/dbraw/zinc/78/11/54/445781154.db2.gz NJWBNWKVAURNPT-UHFFFAOYSA-N 1 0 335.408 1.586 20 5 EDBDRO COc1cc(C(=O)N[C@@H](C[NH3+])CC(C)C)c([N+](=O)[O-])cc1OC ZINC000389915357 325729235 /nfs/dbraw/zinc/72/92/35/325729235.db2.gz CTBDTNKJBRVMEG-SNVBAGLBSA-N 1 0 325.365 1.715 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000361660579 445866246 /nfs/dbraw/zinc/86/62/46/445866246.db2.gz LCRGLBNSSJTVJZ-YPMHNXCESA-N 1 0 338.360 1.207 20 5 EDBDRO COCC[C@@]1([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCOC1 ZINC000582102128 325771946 /nfs/dbraw/zinc/77/19/46/325771946.db2.gz XOMJTDQVXLQVNW-XJKSGUPXSA-N 1 0 340.376 1.120 20 5 EDBDRO Cc1cc(OCC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000369066612 445908308 /nfs/dbraw/zinc/90/83/08/445908308.db2.gz SGSXAAFZMWEPSP-ZFWWWQNUSA-N 1 0 349.387 1.261 20 5 EDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])nn1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000356736044 445978492 /nfs/dbraw/zinc/97/84/92/445978492.db2.gz ACVVXHMLVVUQNP-NEPJUHHUSA-N 1 0 335.408 1.711 20 5 EDBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373060434 445999283 /nfs/dbraw/zinc/99/92/83/445999283.db2.gz WXYBVWHRUZFFGB-OCCSQVGLSA-N 1 0 341.371 1.605 20 5 EDBDRO CO[C@@H]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000359215803 446046224 /nfs/dbraw/zinc/04/62/24/446046224.db2.gz FUZDJJUOCCOZQD-VXGBXAGGSA-N 1 0 339.417 1.895 20 5 EDBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000583086957 325998098 /nfs/dbraw/zinc/99/80/98/325998098.db2.gz BOAQQPCYJSYCGB-IUODEOHRSA-N 1 0 335.404 1.871 20 5 EDBDRO C[C@H](CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000583139655 326010172 /nfs/dbraw/zinc/01/01/72/326010172.db2.gz AQCJXDPCAVTRMV-HIFRSBDPSA-N 1 0 325.413 1.006 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000583607248 326102935 /nfs/dbraw/zinc/10/29/35/326102935.db2.gz OUOAOZWASIEMKE-BBRMVZONSA-N 1 0 335.404 1.925 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000365190105 446071480 /nfs/dbraw/zinc/07/14/80/446071480.db2.gz AUIRKAXWNROZMK-GFCCVEGCSA-N 1 0 337.376 1.132 20 5 EDBDRO CO[C@@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C[NH3+])C1 ZINC000359240968 446072547 /nfs/dbraw/zinc/07/25/47/446072547.db2.gz ZFGPAJRIDSOBIT-GHMZBOCLSA-N 1 0 333.348 1.049 20 5 EDBDRO CCC[N@@H+]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000369338057 446083429 /nfs/dbraw/zinc/08/34/29/446083429.db2.gz MNWSXLGNAPZFGS-UHFFFAOYSA-N 1 0 349.387 1.924 20 5 EDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000362031156 446167405 /nfs/dbraw/zinc/16/74/05/446167405.db2.gz ZTQFJXGZGOBHHU-BYCMXARLSA-N 1 0 337.376 1.705 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1C ZINC000370176235 446188174 /nfs/dbraw/zinc/18/81/74/446188174.db2.gz WLESIRCEBGAMFF-TZMCWYRMSA-N 1 0 339.417 1.584 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366395461 446190624 /nfs/dbraw/zinc/19/06/24/446190624.db2.gz GSICJAUZRGOHJI-CHWSQXEVSA-N 1 0 333.344 1.088 20 5 EDBDRO Nc1ccc(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1[N+](=O)[O-] ZINC000365552044 446251236 /nfs/dbraw/zinc/25/12/36/446251236.db2.gz MYANNYRXQJCECK-YDHLFZDLSA-N 1 0 330.388 1.733 20 5 EDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000366709522 446317975 /nfs/dbraw/zinc/31/79/75/446317975.db2.gz KMSPQTZHUWNSKY-HNNXBMFYSA-N 1 0 339.417 1.595 20 5 EDBDRO O=C(CC[N@@H+]1CCC[C@]2(CNC(=O)O2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000373674405 446298260 /nfs/dbraw/zinc/29/82/60/446298260.db2.gz PQZCSPMTHLFWRR-INIZCTEOSA-N 1 0 348.359 1.498 20 5 EDBDRO Cc1nnc2n1C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000365808116 446351200 /nfs/dbraw/zinc/35/12/00/446351200.db2.gz YIFVMVSCPDMXBE-NSHDSACASA-N 1 0 332.320 1.508 20 5 EDBDRO COCC1(CNc2nc(C(=O)OC)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000420247421 446430398 /nfs/dbraw/zinc/43/03/98/446430398.db2.gz ULSMRVJYVRXPQW-UHFFFAOYSA-N 1 0 338.364 1.205 20 5 EDBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[NH2+]C[C@@H]2O)nc1-c1ccc(F)cc1 ZINC000420248297 446430835 /nfs/dbraw/zinc/43/08/35/446430835.db2.gz VXGKUXHEPFRIGX-RISCZKNCSA-N 1 0 332.335 1.788 20 5 EDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000418083975 446436601 /nfs/dbraw/zinc/43/66/01/446436601.db2.gz OEUZNCWOTMXHBS-VHSXEESVSA-N 1 0 332.364 1.398 20 5 EDBDRO CCOc1cccc(N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1[N+](=O)[O-] ZINC000420273140 446443753 /nfs/dbraw/zinc/44/37/53/446443753.db2.gz DBFJYRWQDRLFIO-CYBMUJFWSA-N 1 0 346.391 1.885 20 5 EDBDRO NS(=O)(=O)c1ccc(NC[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420286686 446451149 /nfs/dbraw/zinc/45/11/49/446451149.db2.gz QPXQTRAAXLEZSL-NXEZZACHSA-N 1 0 328.394 1.172 20 5 EDBDRO COc1ccc(NC(=O)CCN2CC[NH2+][C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000420308964 446471186 /nfs/dbraw/zinc/47/11/86/446471186.db2.gz KYLFWPOVELUIGI-NWDGAFQWSA-N 1 0 336.392 1.614 20 5 EDBDRO C[C@]1(F)C[NH2+]CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420342901 446515414 /nfs/dbraw/zinc/51/54/14/446515414.db2.gz VYQDDUWKWWTITC-AWEZNQCLSA-N 1 0 344.774 1.820 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423532885 446564366 /nfs/dbraw/zinc/56/43/66/446564366.db2.gz RWQLMAUTXRJVMM-QWRGUYRKSA-N 1 0 335.360 1.581 20 5 EDBDRO Cc1c(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000376493933 446534539 /nfs/dbraw/zinc/53/45/39/446534539.db2.gz CDLPHHKZFYUWQO-HOTGVXAUSA-N 1 0 348.403 1.966 20 5 EDBDRO O=C(NCC1=CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000423543045 446567923 /nfs/dbraw/zinc/56/79/23/446567923.db2.gz HBBQUKTUTHRRFJ-UHFFFAOYSA-N 1 0 346.387 1.081 20 5 EDBDRO COc1ccc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000420435993 446611039 /nfs/dbraw/zinc/61/10/39/446611039.db2.gz ADFRJSGCZUYUIL-LLVKDONJSA-N 1 0 343.405 1.414 20 5 EDBDRO CCN1CCN(C(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000411523557 446583021 /nfs/dbraw/zinc/58/30/21/446583021.db2.gz YSKDMMFNZVNNDD-CYBMUJFWSA-N 1 0 348.403 1.703 20 5 EDBDRO [NH3+]CC1(NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000420427468 446601838 /nfs/dbraw/zinc/60/18/38/446601838.db2.gz XOBQDTPTTMZECD-UHFFFAOYSA-N 1 0 327.406 1.328 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418596244 446607985 /nfs/dbraw/zinc/60/79/85/446607985.db2.gz OQMYMBASBNAYDY-ZIAGYGMSSA-N 1 0 347.419 1.424 20 5 EDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000420457794 446637008 /nfs/dbraw/zinc/63/70/08/446637008.db2.gz BQOFIZGWPZWHCC-QLHKPRNWSA-N 1 0 325.390 1.389 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420468928 446644243 /nfs/dbraw/zinc/64/42/43/446644243.db2.gz YJTBUVRGQCBCDG-KGLIPLIRSA-N 1 0 339.417 1.293 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423703018 446649106 /nfs/dbraw/zinc/64/91/06/446649106.db2.gz BDTJWQPDWUCIOM-LLVKDONJSA-N 1 0 338.412 1.038 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000418775201 446693938 /nfs/dbraw/zinc/69/39/38/446693938.db2.gz DMTZYQGQDOXHKU-CHWSQXEVSA-N 1 0 348.403 1.230 20 5 EDBDRO CN(C[C@@H]1CCCN1C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420628023 446708833 /nfs/dbraw/zinc/70/88/33/446708833.db2.gz AECUPAYDMFWGIB-VIFPVBQESA-N 1 0 333.435 1.590 20 5 EDBDRO O=C1[C@H]([NH2+][C@H]2CCO[C@@H]2C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000375439493 446800567 /nfs/dbraw/zinc/80/05/67/446800567.db2.gz VHTFSKXNAGYNSW-ARFHVFGLSA-N 1 0 331.372 1.857 20 5 EDBDRO C[NH+](C)C1CCC(NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420746898 446789347 /nfs/dbraw/zinc/78/93/47/446789347.db2.gz NRSWYHBWUPZXPU-UHFFFAOYSA-N 1 0 341.433 1.887 20 5 EDBDRO O=C(NC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1)C1CCC1 ZINC000371284979 446742828 /nfs/dbraw/zinc/74/28/28/446742828.db2.gz WMPPMFAOYLKXCD-UHFFFAOYSA-N 1 0 348.403 1.137 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2cnccn2)CC1 ZINC000376999719 446850135 /nfs/dbraw/zinc/85/01/35/446850135.db2.gz YVGRSZSYTGHMFB-UHFFFAOYSA-N 1 0 329.360 1.426 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000424073294 446839781 /nfs/dbraw/zinc/83/97/81/446839781.db2.gz HLOVDCQKWHJVIG-ZDUSSCGKSA-N 1 0 329.360 1.406 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000420764108 446802965 /nfs/dbraw/zinc/80/29/65/446802965.db2.gz JTUWZGLRCCEQHU-SNVBAGLBSA-N 1 0 347.824 1.963 20 5 EDBDRO NC(=O)[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000375514419 446864516 /nfs/dbraw/zinc/86/45/16/446864516.db2.gz XLVLCJOVOLNWJI-VXGBXAGGSA-N 1 0 331.294 1.733 20 5 EDBDRO C[N@@H+]1CCN(CCNc2ncc([N+](=O)[O-])s2)[C@H](c2ccccc2)C1 ZINC000375585828 446907201 /nfs/dbraw/zinc/90/72/01/446907201.db2.gz VJCGSQZHXWEOOQ-AWEZNQCLSA-N 1 0 347.444 2.452 20 5 EDBDRO C[C@H](NC(=O)C(=O)NCC1([NH3+])CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000419158788 446975186 /nfs/dbraw/zinc/97/51/86/446975186.db2.gz YGSWHQOWZXYAMJ-LBPRGKRZSA-N 1 0 348.403 1.550 20 5 EDBDRO CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000419172249 446988013 /nfs/dbraw/zinc/98/80/13/446988013.db2.gz UMQHDKRFLMZCMD-KGLIPLIRSA-N 1 0 336.392 1.262 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)cc([N+](=O)[O-])c1F ZINC000368637981 446997288 /nfs/dbraw/zinc/99/72/88/446997288.db2.gz ZRMUFLLTIOJONU-LBPRGKRZSA-N 1 0 343.380 1.463 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000419279974 447053924 /nfs/dbraw/zinc/05/39/24/447053924.db2.gz WMWDQAKJQYVRLP-SJCJKPOMSA-N 1 0 348.403 1.278 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000419281042 447054757 /nfs/dbraw/zinc/05/47/57/447054757.db2.gz XNNLQPGUUCKBHT-GFCCVEGCSA-N 1 0 348.403 1.291 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000419240194 447025525 /nfs/dbraw/zinc/02/55/25/447025525.db2.gz BDYZCNPSXJVYEO-SGMGOOAPSA-N 1 0 348.403 1.337 20 5 EDBDRO CCCCOC[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000375920376 447149635 /nfs/dbraw/zinc/14/96/35/447149635.db2.gz NJATYGVQCJPTER-CQSZACIVSA-N 1 0 326.397 1.606 20 5 EDBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455842800 447240783 /nfs/dbraw/zinc/24/07/83/447240783.db2.gz JZBWQCFDKZLIPR-VXGBXAGGSA-N 1 0 333.392 1.730 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C[C@H]21 ZINC000447248348 447271255 /nfs/dbraw/zinc/27/12/55/447271255.db2.gz SBSSDVHQIVCFGD-OPRDCNLKSA-N 1 0 331.419 1.404 20 5 EDBDRO CNc1nc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000455999716 447282061 /nfs/dbraw/zinc/28/20/61/447282061.db2.gz XXVZROFLNQEWAJ-YPMHNXCESA-N 1 0 333.392 1.588 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415505867 447485937 /nfs/dbraw/zinc/48/59/37/447485937.db2.gz QXYRUSCVSUMFAF-CQSZACIVSA-N 1 0 333.392 1.415 20 5 EDBDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000419943614 447505133 /nfs/dbraw/zinc/50/51/33/447505133.db2.gz HSFMYAIHTUDXOI-LBPRGKRZSA-N 1 0 348.403 1.058 20 5 EDBDRO COc1ccc(NC(=O)CN2CCC3(CC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC000422625996 447675581 /nfs/dbraw/zinc/67/55/81/447675581.db2.gz CYHZWVXXLZAUBH-UHFFFAOYSA-N 1 0 334.376 1.370 20 5 EDBDRO CN(CC(=O)N1c2ccccc2C[C@@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000422626607 447676865 /nfs/dbraw/zinc/67/68/65/447676865.db2.gz KHGRIZBCEDRTMN-CQSZACIVSA-N 1 0 340.383 1.948 20 5 EDBDRO CC1(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000420225925 447678083 /nfs/dbraw/zinc/67/80/83/447678083.db2.gz FRJVAGCAJVBXPG-UHFFFAOYSA-N 1 0 333.435 1.861 20 5 EDBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000420231452 447679821 /nfs/dbraw/zinc/67/98/21/447679821.db2.gz RTTRWNXRHGSTEK-SFHVURJKSA-N 1 0 346.431 1.617 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CCC3(C2)CC[NH2+]CC3)c1[N+](=O)[O-] ZINC000420231092 447680354 /nfs/dbraw/zinc/68/03/54/447680354.db2.gz ZQBBRAYGXGWYAT-UHFFFAOYSA-N 1 0 334.376 1.665 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CC3(CCC3)[C@H]3COC[C@H]32)c([N+](=O)[O-])c1 ZINC000459686912 447739767 /nfs/dbraw/zinc/73/97/67/447739767.db2.gz VPJKNCKUJDFQOE-DZGCQCFKSA-N 1 0 331.372 1.695 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000422775769 447747036 /nfs/dbraw/zinc/74/70/36/447747036.db2.gz CGJYDTIBKRNASI-UHFFFAOYSA-N 1 0 342.359 1.234 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000451877464 447771956 /nfs/dbraw/zinc/77/19/56/447771956.db2.gz ISBVSCHERIZTGR-HIFRSBDPSA-N 1 0 339.417 1.103 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000423036742 447796152 /nfs/dbraw/zinc/79/61/52/447796152.db2.gz LKWXHAKJNQORPI-GFCCVEGCSA-N 1 0 327.406 1.100 20 5 EDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000530491839 447898877 /nfs/dbraw/zinc/89/88/77/447898877.db2.gz CIZZEKFMOKCGGE-VXGBXAGGSA-N 1 0 342.421 1.389 20 5 EDBDRO CNc1ccc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000523697706 447902117 /nfs/dbraw/zinc/90/21/17/447902117.db2.gz LBSFBQQUVJZDCQ-LBPRGKRZSA-N 1 0 335.408 1.002 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC[C@H]2CCCCO2)cc1 ZINC000570676589 448047909 /nfs/dbraw/zinc/04/79/09/448047909.db2.gz XJAWCZPARJGOJN-CQSZACIVSA-N 1 0 342.417 1.917 20 5 EDBDRO CN1CCN(C(=O)CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000576478861 448066665 /nfs/dbraw/zinc/06/66/65/448066665.db2.gz FOMCOAQRJZJJHU-OAHLLOKOSA-N 1 0 332.404 1.336 20 5 EDBDRO C[C@H](c1nccc(N)n1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000514774919 448199960 /nfs/dbraw/zinc/19/99/60/448199960.db2.gz WSGIOGSJUZZHID-GFCCVEGCSA-N 1 0 328.376 1.850 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000591028678 448238649 /nfs/dbraw/zinc/23/86/49/448238649.db2.gz AQGFLFLQGXFBSJ-FZMZJTMJSA-N 1 0 332.360 1.004 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)CC[C@H]21 ZINC000532237961 448220035 /nfs/dbraw/zinc/22/00/35/448220035.db2.gz CLYCGBIMQWRUFF-WCQYABFASA-N 1 0 347.371 1.880 20 5 EDBDRO CN(C)C1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000515055183 448249253 /nfs/dbraw/zinc/24/92/53/448249253.db2.gz TVAZRVJUBHNAKV-CQSZACIVSA-N 1 0 337.420 1.799 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000591303335 448314852 /nfs/dbraw/zinc/31/48/52/448314852.db2.gz UMTLRZDCCXCZCN-UHFFFAOYSA-N 1 0 334.376 1.490 20 5 EDBDRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000591304166 448315234 /nfs/dbraw/zinc/31/52/34/448315234.db2.gz QWQAKDFWQGIFST-DGCLKSJQSA-N 1 0 334.376 1.428 20 5 EDBDRO Cc1cc([N+](=O)[O-])cn(C[C@H](O)C[N@@H+](C)Cc2ccccc2)c1=O ZINC000591241515 448297155 /nfs/dbraw/zinc/29/71/55/448297155.db2.gz VLJQRANIZQVWJI-MRXNPFEDSA-N 1 0 331.372 1.558 20 5 EDBDRO CN(C[C@@H](O)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000572150324 448301690 /nfs/dbraw/zinc/30/16/90/448301690.db2.gz UJRDNRZMCLYQBK-AWEZNQCLSA-N 1 0 327.812 1.835 20 5 EDBDRO CS(=O)(=O)c1ccc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])c1 ZINC000591436531 448362759 /nfs/dbraw/zinc/36/27/59/448362759.db2.gz BHLIMHGRMNUVKA-ZYHUDNBSSA-N 1 0 325.390 1.187 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000493379638 448389174 /nfs/dbraw/zinc/38/91/74/448389174.db2.gz CRBUCCZUEHEALE-HOCLYGCPSA-N 1 0 337.376 1.683 20 5 EDBDRO [NH3+]CCC1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000583091254 448422455 /nfs/dbraw/zinc/42/24/55/448422455.db2.gz OOGNJOCHOGIRCQ-UHFFFAOYSA-N 1 0 344.375 1.377 20 5 EDBDRO O=C(CC[NH2+][C@H]1CCN(CC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000591735084 448476337 /nfs/dbraw/zinc/47/63/37/448476337.db2.gz QATBGGHGQTZQAL-AWEZNQCLSA-N 1 0 332.404 1.997 20 5 EDBDRO O=C(CC[NH2+][C@H]1CCCS(=O)(=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000591737514 448477651 /nfs/dbraw/zinc/47/76/51/448477651.db2.gz KQVIEUZVSBEWMI-NSHDSACASA-N 1 0 341.389 1.090 20 5 EDBDRO O=c1[nH]cnc2cc(NC[C@H]3CCC[N@H+]3CCCO)c([N+](=O)[O-])cc12 ZINC000516848132 448478831 /nfs/dbraw/zinc/47/88/31/448478831.db2.gz HYBWZFNNMZJIAT-LLVKDONJSA-N 1 0 347.375 1.502 20 5 EDBDRO CCc1noc(C)c1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578186997 448478963 /nfs/dbraw/zinc/47/89/63/448478963.db2.gz ITTIWKDSBLULML-ZDUSSCGKSA-N 1 0 335.360 1.983 20 5 EDBDRO CC[C@H](CN1CCCC1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591742890 448479472 /nfs/dbraw/zinc/47/94/72/448479472.db2.gz QRZOMHOLNGLWMU-CABCVRRESA-N 1 0 337.420 1.799 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H](O)C2CCC2)cc1 ZINC000516927605 448499481 /nfs/dbraw/zinc/49/94/81/448499481.db2.gz RSWJXDIZIRAUOC-CQSZACIVSA-N 1 0 328.390 1.119 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000566623153 448524754 /nfs/dbraw/zinc/52/47/54/448524754.db2.gz ZGEZYYWZUYNQPK-ZDUSSCGKSA-N 1 0 329.360 1.335 20 5 EDBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000517224491 448555054 /nfs/dbraw/zinc/55/50/54/448555054.db2.gz JLNBLXPJTCAXJK-UHFFFAOYSA-N 1 0 333.348 1.901 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000573111356 448546142 /nfs/dbraw/zinc/54/61/42/448546142.db2.gz APMVSEQLHDYJRU-NWDGAFQWSA-N 1 0 332.360 1.205 20 5 EDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1c2ccccc2ncc1[N+](=O)[O-] ZINC000591985773 448610877 /nfs/dbraw/zinc/61/08/77/448610877.db2.gz RRZMJAPEWXOMNI-GFCCVEGCSA-N 1 0 343.387 1.699 20 5 EDBDRO C[N@H+]1CC=C(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000538373896 448584360 /nfs/dbraw/zinc/58/43/60/448584360.db2.gz FMVPNTJONLLZCH-UHFFFAOYSA-N 1 0 334.376 1.535 20 5 EDBDRO CCc1ccc(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000592026249 448633957 /nfs/dbraw/zinc/63/39/57/448633957.db2.gz OYCZJCSHSVWGDI-NSHDSACASA-N 1 0 341.433 1.918 20 5 EDBDRO Cc1ccc(C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC2CC2)cn1 ZINC000592144905 448706181 /nfs/dbraw/zinc/70/61/81/448706181.db2.gz JZELVXVWFKMYHY-QGZVFWFLSA-N 1 0 345.403 1.768 20 5 EDBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000567508493 448706892 /nfs/dbraw/zinc/70/68/92/448706892.db2.gz KKPCPOKUKUIPJJ-VXGBXAGGSA-N 1 0 327.406 1.588 20 5 EDBDRO [NH3+]C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000518769128 448708272 /nfs/dbraw/zinc/70/82/72/448708272.db2.gz DAXTYTYGNFYJSE-NSHDSACASA-N 1 0 328.394 1.176 20 5 EDBDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000518781644 448710785 /nfs/dbraw/zinc/71/07/85/448710785.db2.gz PMGJATODKTXVPZ-UHFFFAOYSA-N 1 0 346.391 1.317 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000585781909 448764059 /nfs/dbraw/zinc/76/40/59/448764059.db2.gz BSEILVYYEBSHPL-CABCVRRESA-N 1 0 335.360 1.291 20 5 EDBDRO Cn1c2cc([N+](=O)[O-])c(N3CC[NH+](CC4CC4)CC3)cc2n(C)c1=O ZINC000585703636 448742414 /nfs/dbraw/zinc/74/24/14/448742414.db2.gz PLVNURAIIVUVNP-UHFFFAOYSA-N 1 0 345.403 1.317 20 5 EDBDRO C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1ccccc1F ZINC000573913985 448743773 /nfs/dbraw/zinc/74/37/73/448743773.db2.gz QTBGWBXFWNIZCS-YPMHNXCESA-N 1 0 338.339 1.348 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2nc([C@@H]3CCC[NH2+]3)no2)c1N1CCOCC1 ZINC000592356838 448804195 /nfs/dbraw/zinc/80/41/95/448804195.db2.gz GMSXZJBBSCDPQY-LBPRGKRZSA-N 1 0 345.359 1.906 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCOc2ccc(F)cc2F)c1 ZINC000519536229 448779765 /nfs/dbraw/zinc/77/97/65/448779765.db2.gz CHTRJWRVBCERQY-LBPRGKRZSA-N 1 0 342.302 1.099 20 5 EDBDRO CC1([NH3+])CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000592331721 448794560 /nfs/dbraw/zinc/79/45/60/448794560.db2.gz YDJLXLCEKHYHNI-UHFFFAOYSA-N 1 0 330.348 1.129 20 5 EDBDRO CCc1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000592386826 448817873 /nfs/dbraw/zinc/81/78/73/448817873.db2.gz AVZBBLKESKKMSX-GFCCVEGCSA-N 1 0 327.406 1.578 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCO1 ZINC000592475548 448853161 /nfs/dbraw/zinc/85/31/61/448853161.db2.gz MVTSWSDWQOYJRP-GXFFZTMASA-N 1 0 333.348 1.193 20 5 EDBDRO C[C@@H]1CCC[N@H+](CCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000589107778 448969861 /nfs/dbraw/zinc/96/98/61/448969861.db2.gz YWFIRXGDMZJCBR-LLVKDONJSA-N 1 0 342.421 1.386 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1 ZINC000592874571 449030981 /nfs/dbraw/zinc/03/09/81/449030981.db2.gz TWGYSAMPZJOXQE-LBPRGKRZSA-N 1 0 334.376 1.095 20 5 EDBDRO CN(C(=O)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595606575 449074725 /nfs/dbraw/zinc/07/47/25/449074725.db2.gz IMTSHNRYEPZWKB-CYBMUJFWSA-N 1 0 344.375 1.171 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000589930185 449084836 /nfs/dbraw/zinc/08/48/36/449084836.db2.gz UBCRTMUSUQNXQY-JOYOIKCWSA-N 1 0 345.808 1.573 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000599889379 449101669 /nfs/dbraw/zinc/10/16/69/449101669.db2.gz NCBQXPTXJMQRJW-CQSZACIVSA-N 1 0 334.376 1.298 20 5 EDBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000593065955 449120983 /nfs/dbraw/zinc/12/09/83/449120983.db2.gz HLJXGDCXQTYRHA-ZIAGYGMSSA-N 1 0 337.376 1.313 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000590282231 449124894 /nfs/dbraw/zinc/12/48/94/449124894.db2.gz ULTIIYWEPMGWTD-RISCZKNCSA-N 1 0 332.360 1.004 20 5 EDBDRO C[C@@H](CO)C1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000593079921 449125326 /nfs/dbraw/zinc/12/53/26/449125326.db2.gz BBXMQYMDHJUYTR-ZFWWWQNUSA-N 1 0 338.404 1.675 20 5 EDBDRO CCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000597946607 449155488 /nfs/dbraw/zinc/15/54/88/449155488.db2.gz QMBIZAVZETXXOV-CQSZACIVSA-N 1 0 343.387 1.947 20 5 EDBDRO O=C(C[NH2+][C@H]1C[C@H](O)C12CCC2)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595777461 449159641 /nfs/dbraw/zinc/15/96/41/449159641.db2.gz HCUQSVWSHQMNLR-KBPBESRZSA-N 1 0 349.343 1.155 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000601807439 449164841 /nfs/dbraw/zinc/16/48/41/449164841.db2.gz SLAIGLXJWYWQRE-UHFFFAOYSA-N 1 0 344.375 1.332 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC([C@H]3CCCCO3)CC2)c1 ZINC000595788426 449166749 /nfs/dbraw/zinc/16/67/49/449166749.db2.gz NTLCPXXTTOXZAL-HZPDHXFCSA-N 1 0 338.408 1.433 20 5 EDBDRO COC(=O)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]2CCCC[C@H]12 ZINC000595738364 449140134 /nfs/dbraw/zinc/14/01/34/449140134.db2.gz RECXDVAUYYKSTP-RBSFLKMASA-N 1 0 336.392 1.845 20 5 EDBDRO Cc1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000590399903 449147301 /nfs/dbraw/zinc/14/73/01/449147301.db2.gz QBWXHJYWRQMMNP-GOEBONIOSA-N 1 0 333.388 1.838 20 5 EDBDRO Cc1c(CC(=O)NCCN(C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000597989874 449174773 /nfs/dbraw/zinc/17/47/73/449174773.db2.gz LHEOACDEYCPCTD-UHFFFAOYSA-N 1 0 336.436 1.445 20 5 EDBDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000601878916 449202482 /nfs/dbraw/zinc/20/24/82/449202482.db2.gz CVSIWHKSRNJMCA-HNNXBMFYSA-N 1 0 343.387 1.490 20 5 EDBDRO COc1cc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000595862397 449213873 /nfs/dbraw/zinc/21/38/73/449213873.db2.gz BJLOMNHJMKSKSG-OAHLLOKOSA-N 1 0 335.404 1.634 20 5 EDBDRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000590563907 449191992 /nfs/dbraw/zinc/19/19/92/449191992.db2.gz VSFONUWTLODSQX-GXTWGEPZSA-N 1 0 334.376 1.112 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000590561733 449192117 /nfs/dbraw/zinc/19/21/17/449192117.db2.gz FVFPAMVYPAUXLJ-HUUCEWRRSA-N 1 0 334.376 1.233 20 5 EDBDRO O=C1[C@H]([N@@H+]2CC[C@@H]3COC[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595829856 449193536 /nfs/dbraw/zinc/19/35/36/449193536.db2.gz IVULKKUWHVCMLJ-XJKCOSOUSA-N 1 0 331.372 1.668 20 5 EDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000590566698 449194584 /nfs/dbraw/zinc/19/45/84/449194584.db2.gz QKSVJVWSSQAOFV-OCCSQVGLSA-N 1 0 343.387 1.945 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000593900290 449272350 /nfs/dbraw/zinc/27/23/50/449272350.db2.gz NEPKIQZALCJCDP-HNNXBMFYSA-N 1 0 343.387 1.630 20 5 EDBDRO COc1cc(OCC(=O)NCC[C@@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000595946907 449272785 /nfs/dbraw/zinc/27/27/85/449272785.db2.gz CZLAZZBKIQCFBA-GFCCVEGCSA-N 1 0 325.365 1.472 20 5 EDBDRO CNS(=O)(=O)c1ccc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000611256800 449240715 /nfs/dbraw/zinc/24/07/15/449240715.db2.gz GTHSINYBLCOHFW-MNOVXSKESA-N 1 0 342.421 1.032 20 5 EDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000601975684 449257909 /nfs/dbraw/zinc/25/79/09/449257909.db2.gz MVRNGOKWBIKMAF-CALCHBBNSA-N 1 0 347.371 1.438 20 5 EDBDRO COc1cc(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c([N+](=O)[O-])cc1OC ZINC000601975612 449258057 /nfs/dbraw/zinc/25/80/57/449258057.db2.gz LOLVPDJNGDPTGX-CALCHBBNSA-N 1 0 349.387 1.684 20 5 EDBDRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595940705 449267855 /nfs/dbraw/zinc/26/78/55/449267855.db2.gz UKORKINYEDQTNF-CVEARBPZSA-N 1 0 349.387 1.328 20 5 EDBDRO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@]1(C)CO ZINC000595875531 449224785 /nfs/dbraw/zinc/22/47/85/449224785.db2.gz QLKSDISMDSDOIZ-VMGRFDJRSA-N 1 0 333.388 1.650 20 5 EDBDRO C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)CC(C)(C)C ZINC000602057742 449308352 /nfs/dbraw/zinc/30/83/52/449308352.db2.gz JSYXABHDKUDXDZ-UHFFFAOYSA-N 1 0 349.435 1.616 20 5 EDBDRO COc1cc(OCC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000593911232 449280612 /nfs/dbraw/zinc/28/06/12/449280612.db2.gz GDYCJOTUOAFLTH-SJCJKPOMSA-N 1 0 349.387 1.570 20 5 EDBDRO [NH3+]CC1(CCNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000593914420 449283527 /nfs/dbraw/zinc/28/35/27/449283527.db2.gz KQSZFXBUSPBWOT-UHFFFAOYSA-N 1 0 330.344 1.707 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC3(CCC3)[C@H]2c2ccncc2)c1 ZINC000596040765 449332876 /nfs/dbraw/zinc/33/28/76/449332876.db2.gz YUQUDLOCRMAKEU-HZPDHXFCSA-N 1 0 343.387 1.774 20 5 EDBDRO C[N@@H+]1CC[C@@](O)(CNc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596198849 449409040 /nfs/dbraw/zinc/40/90/40/449409040.db2.gz XIZZBNRRCBOXTQ-GFCCVEGCSA-N 1 0 330.182 1.836 20 5 EDBDRO CN1CC[NH+](CC2(C)CCN(c3ccc(N)c([N+](=O)[O-])n3)CC2)CC1 ZINC000596199609 449409783 /nfs/dbraw/zinc/40/97/83/449409783.db2.gz TYYOBEIHXGFYDF-UHFFFAOYSA-N 1 0 348.451 1.426 20 5 EDBDRO CC(C)[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000598574983 449471686 /nfs/dbraw/zinc/47/16/86/449471686.db2.gz NYVAMFBUYILQNB-HNNXBMFYSA-N 1 0 348.403 1.171 20 5 EDBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598665226 449526833 /nfs/dbraw/zinc/52/68/33/449526833.db2.gz MWKBGKOYQIGHAD-ZDUSSCGKSA-N 1 0 349.391 1.446 20 5 EDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598668405 449529731 /nfs/dbraw/zinc/52/97/31/449529731.db2.gz OEOJCMAGBWMVJM-QWRGUYRKSA-N 1 0 335.364 1.055 20 5 EDBDRO C[C@H]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000598667588 449529872 /nfs/dbraw/zinc/52/98/72/449529872.db2.gz GLJZANZJKCIEDW-RYUDHWBXSA-N 1 0 349.391 1.160 20 5 EDBDRO CC(=O)c1cc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000596540573 449545651 /nfs/dbraw/zinc/54/56/51/449545651.db2.gz URPBQAYQOUTVER-OAHLLOKOSA-N 1 0 333.388 1.833 20 5 EDBDRO C[C@H]1CN(CCNc2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](C)CO1 ZINC000596427294 449496966 /nfs/dbraw/zinc/49/69/66/449496966.db2.gz FIRWTGGDPNHEEW-RYUDHWBXSA-N 1 0 331.376 2.059 20 5 EDBDRO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000594428020 449510889 /nfs/dbraw/zinc/51/08/89/449510889.db2.gz KPKYSUPPHMQBRI-YOEHRIQHSA-N 1 0 345.403 1.028 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC2(CCOC2)CC1 ZINC000612110675 449567904 /nfs/dbraw/zinc/56/79/04/449567904.db2.gz SUEAEIMLXLSMBV-CQSZACIVSA-N 1 0 336.388 1.837 20 5 EDBDRO CO[C@@H]1CN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@](C)(C[NH3+])C1 ZINC000600882163 449585246 /nfs/dbraw/zinc/58/52/46/449585246.db2.gz BWIFYBGYNKRJAZ-NHYWBVRUSA-N 1 0 339.417 1.895 20 5 EDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000600809655 449557501 /nfs/dbraw/zinc/55/75/01/449557501.db2.gz WIFFQHBMBVKFST-YPMHNXCESA-N 1 0 339.417 1.258 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000598713883 449558785 /nfs/dbraw/zinc/55/87/85/449558785.db2.gz DUGIWBZSNFATHL-GFCCVEGCSA-N 1 0 327.406 1.632 20 5 EDBDRO C[N@H+](CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CCC1 ZINC000600817194 449562301 /nfs/dbraw/zinc/56/23/01/449562301.db2.gz LBDSGZIHJMBBBS-LBPRGKRZSA-N 1 0 333.392 1.487 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@H]1Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000600951461 449612835 /nfs/dbraw/zinc/61/28/35/449612835.db2.gz JEAXQIFPBNZFTK-LSDHHAIUSA-N 1 0 334.420 1.979 20 5 EDBDRO O=[N+]([O-])c1ccc(NC[C@H]2COCC[NH2+]2)nc1-c1ccc(F)cc1 ZINC000600953971 449613604 /nfs/dbraw/zinc/61/36/04/449613604.db2.gz IKHUDOCZUATWMB-ZDUSSCGKSA-N 1 0 332.335 2.196 20 5 EDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000602485751 449627398 /nfs/dbraw/zinc/62/73/98/449627398.db2.gz RHXJOEUWXYTANN-WDEREUQCSA-N 1 0 347.350 1.742 20 5 EDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)CCOCC[NH2+]C ZINC000602546985 449666978 /nfs/dbraw/zinc/66/69/78/449666978.db2.gz VUKZIVQWAYUBBU-UHFFFAOYSA-N 1 0 325.365 1.302 20 5 EDBDRO C[NH2+]CCOCCN(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000602549459 449668175 /nfs/dbraw/zinc/66/81/75/449668175.db2.gz WEBIRDKRGBBRHE-LBPRGKRZSA-N 1 0 341.433 1.770 20 5 EDBDRO C[NH+](C)C(C)(C)CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000598969996 449674535 /nfs/dbraw/zinc/67/45/35/449674535.db2.gz PJIDZCFUDAVVJQ-UHFFFAOYSA-N 1 0 349.366 1.990 20 5 EDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000602571382 449681323 /nfs/dbraw/zinc/68/13/23/449681323.db2.gz LJFXXBYVNWFASG-OIBJUYFYSA-N 1 0 328.166 1.838 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCO[C@H]1CC1(F)F ZINC000594716853 449645102 /nfs/dbraw/zinc/64/51/02/449645102.db2.gz XXLXQBBHYZNUBY-MFKMUULPSA-N 1 0 332.303 1.348 20 5 EDBDRO CN(CCN1CC[NH2+]CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598916267 449645442 /nfs/dbraw/zinc/64/54/42/449645442.db2.gz VLVHLZAOYCSEIO-UHFFFAOYSA-N 1 0 325.344 1.103 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000594793930 449705359 /nfs/dbraw/zinc/70/53/59/449705359.db2.gz WPJOYXPAIIRIMT-GFCCVEGCSA-N 1 0 341.433 1.994 20 5 EDBDRO CCN(C)C(=O)[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602645090 449725301 /nfs/dbraw/zinc/72/53/01/449725301.db2.gz OHOABKZVPJGJFX-GFCCVEGCSA-N 1 0 335.408 1.415 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000594821176 449730133 /nfs/dbraw/zinc/73/01/33/449730133.db2.gz JYTKXOIFYSGTNJ-GFCCVEGCSA-N 1 0 329.422 1.830 20 5 EDBDRO Cn1cc(CN2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602656872 449734141 /nfs/dbraw/zinc/73/41/41/449734141.db2.gz ZJJISNFXEBAAIQ-INIZCTEOSA-N 1 0 329.404 1.687 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCc1cccc2c1CC[NH2+]C2 ZINC000602584496 449687485 /nfs/dbraw/zinc/68/74/85/449687485.db2.gz CUNJRBFQRACRDI-UHFFFAOYSA-N 1 0 341.367 1.936 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602587826 449689277 /nfs/dbraw/zinc/68/92/77/449689277.db2.gz JWOHFGXMNNGEPV-CBAPKCEASA-N 1 0 326.150 1.544 20 5 EDBDRO C[C@H]1CCN(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602592357 449692107 /nfs/dbraw/zinc/69/21/07/449692107.db2.gz DHKANXYSOZCPAT-AWEZNQCLSA-N 1 0 333.436 1.890 20 5 EDBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000601109455 449694770 /nfs/dbraw/zinc/69/47/70/449694770.db2.gz UJYXGGPIFVKPJA-ZDUSSCGKSA-N 1 0 331.376 1.555 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000599107807 449740281 /nfs/dbraw/zinc/74/02/81/449740281.db2.gz VSDCVRMOEXUKOO-CYBMUJFWSA-N 1 0 341.433 1.830 20 5 EDBDRO CO[C@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CCOC1 ZINC000594951749 449817554 /nfs/dbraw/zinc/81/75/54/449817554.db2.gz NBPTUOFFCAPZLY-MEDUHNTESA-N 1 0 338.360 1.507 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)c([N+](=O)[O-])s1 ZINC000601337773 449846451 /nfs/dbraw/zinc/84/64/51/449846451.db2.gz GDHPEXQGAHHJKQ-UHFFFAOYSA-N 1 0 345.446 1.870 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601330023 449838289 /nfs/dbraw/zinc/83/82/89/449838289.db2.gz OXXLMIBNYGOQLQ-UTUOFQBUSA-N 1 0 334.376 1.367 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000601334576 449842194 /nfs/dbraw/zinc/84/21/94/449842194.db2.gz AXCKEQISTYXBAB-SNVBAGLBSA-N 1 0 331.369 1.367 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)c([N+](=O)[O-])s1 ZINC000601335272 449843671 /nfs/dbraw/zinc/84/36/71/449843671.db2.gz JUMCZMFJKHXKOU-QMMMGPOBSA-N 1 0 333.435 1.726 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000595109040 449872785 /nfs/dbraw/zinc/87/27/85/449872785.db2.gz XBBNZCKLTVISRF-NWDGAFQWSA-N 1 0 327.406 1.630 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c(C)cc1[N+](=O)[O-] ZINC000595108277 449873185 /nfs/dbraw/zinc/87/31/85/449873185.db2.gz MXEZKXPVMSOBOD-NEPJUHHUSA-N 1 0 327.406 1.760 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000595047279 449849065 /nfs/dbraw/zinc/84/90/65/449849065.db2.gz QKALTGUZIJLQOQ-WDEREUQCSA-N 1 0 331.376 1.940 20 5 EDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000601420668 449936914 /nfs/dbraw/zinc/93/69/14/449936914.db2.gz FCYXSVBEGOHFDD-FZMZJTMJSA-N 1 0 327.406 1.449 20 5 EDBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000601429006 449949220 /nfs/dbraw/zinc/94/92/20/449949220.db2.gz QPAHDYALUZWIRY-UHFFFAOYSA-N 1 0 341.433 1.841 20 5 EDBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000602922028 449922658 /nfs/dbraw/zinc/92/26/58/449922658.db2.gz KEFJBDILEXIYTR-TZMCWYRMSA-N 1 0 335.408 1.996 20 5 EDBDRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000599416199 449962674 /nfs/dbraw/zinc/96/26/74/449962674.db2.gz UVFGOXBJGFWDGM-LLVKDONJSA-N 1 0 328.394 1.000 20 5 EDBDRO COC(=O)c1cc(NC(=O)C2([NH3+])CC3(CCC3)C2)cc([N+](=O)[O-])c1 ZINC000595248382 449974558 /nfs/dbraw/zinc/97/45/58/449974558.db2.gz FKUPLLCZTIUUOX-UHFFFAOYSA-N 1 0 333.344 1.982 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000595260908 449983048 /nfs/dbraw/zinc/98/30/48/449983048.db2.gz MZQXZANKNGBJMW-NXEZZACHSA-N 1 0 327.312 1.123 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000601460628 449984040 /nfs/dbraw/zinc/98/40/40/449984040.db2.gz XCQQKUSFRIHBHF-AOOOYVTPSA-N 1 0 333.435 1.583 20 5 EDBDRO [NH3+]C1(CNC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCCC1 ZINC000595271591 449991640 /nfs/dbraw/zinc/99/16/40/449991640.db2.gz SQLBGMPTELKHQO-UHFFFAOYSA-N 1 0 347.419 1.698 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000601468913 449992011 /nfs/dbraw/zinc/99/20/11/449992011.db2.gz VYHNDABJHHALBN-LLVKDONJSA-N 1 0 345.396 1.805 20 5 EDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601541729 450063502 /nfs/dbraw/zinc/06/35/02/450063502.db2.gz KEJINOFHDRWKON-NSHDSACASA-N 1 0 327.356 1.557 20 5 EDBDRO Cc1cc(C(=O)NCCCN2CCC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000609619851 450072042 /nfs/dbraw/zinc/07/20/42/450072042.db2.gz NJYDOGANOJDZQY-UHFFFAOYSA-N 1 0 334.420 1.661 20 5 EDBDRO C[C@](CO)([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000609483835 450035096 /nfs/dbraw/zinc/03/50/96/450035096.db2.gz JVVKSUZJKCKXGE-SJLPKXTDSA-N 1 0 346.383 1.832 20 5 EDBDRO CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000609559653 450051893 /nfs/dbraw/zinc/05/18/93/450051893.db2.gz MBJAXDVNPISMQE-CYBMUJFWSA-N 1 0 335.408 1.163 20 5 EDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000615312756 450059014 /nfs/dbraw/zinc/05/90/14/450059014.db2.gz HWSJQPSEUFMOLF-CYBMUJFWSA-N 1 0 348.403 1.832 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@H](C)C2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000609583614 450059328 /nfs/dbraw/zinc/05/93/28/450059328.db2.gz SJRUUSISODQLLQ-LLVKDONJSA-N 1 0 349.387 1.842 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCO[C@@H]3CC3(F)F)C2)nc1 ZINC000595373224 450086504 /nfs/dbraw/zinc/08/65/04/450086504.db2.gz YQBNVXSOAJHACA-ZYHUDNBSSA-N 1 0 328.319 1.900 20 5 EDBDRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000595381409 450095545 /nfs/dbraw/zinc/09/55/45/450095545.db2.gz KFJAYCFVHVLRTK-UHFFFAOYSA-N 1 0 330.410 1.389 20 5 EDBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000599627156 450113709 /nfs/dbraw/zinc/11/37/09/450113709.db2.gz ZTCYBUUXIDLXBG-UHFFFAOYSA-N 1 0 346.347 1.095 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000610240549 450158261 /nfs/dbraw/zinc/15/82/61/450158261.db2.gz SBZOWWYEBFYPKP-OAHLLOKOSA-N 1 0 346.431 1.755 20 5 EDBDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000599695407 450158826 /nfs/dbraw/zinc/15/88/26/450158826.db2.gz YDEKGVCEQJFGBS-CHWSQXEVSA-N 1 0 341.433 1.917 20 5 EDBDRO C[NH+]1CCN(Cc2cn(CCc3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC000603193753 450132039 /nfs/dbraw/zinc/13/20/39/450132039.db2.gz CTTWJMPVIXQHOZ-UHFFFAOYSA-N 1 0 330.392 1.176 20 5 EDBDRO COCC[NH2+]CCc1cn([C@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603250929 450179434 /nfs/dbraw/zinc/17/94/34/450179434.db2.gz MPINBOONFFZSHT-CYBMUJFWSA-N 1 0 333.392 1.883 20 5 EDBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000599767475 450205900 /nfs/dbraw/zinc/20/59/00/450205900.db2.gz WZTUUGZNELQUDQ-CYBMUJFWSA-N 1 0 333.392 1.940 20 5 EDBDRO O=[N+]([O-])c1ccc2oc(CN3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)nc2c1 ZINC000610581361 450267422 /nfs/dbraw/zinc/26/74/22/450267422.db2.gz KFUQYHKMJXLREU-HUUCEWRRSA-N 1 0 346.387 1.767 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000615996166 450294752 /nfs/dbraw/zinc/29/47/52/450294752.db2.gz PLKVUNSJAMIMJC-INIZCTEOSA-N 1 0 348.447 1.957 20 5 EDBDRO CC(C)c1ccc(C[NH2+]C2CC(NS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000619747924 450325490 /nfs/dbraw/zinc/32/54/90/450325490.db2.gz BRJODFWPTAHLFE-UHFFFAOYSA-N 1 0 341.433 1.888 20 5 EDBDRO C[NH+](C)C1CC(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000619872696 450349299 /nfs/dbraw/zinc/34/92/99/450349299.db2.gz GZYCBHARQCLBTF-UHFFFAOYSA-N 1 0 348.403 1.254 20 5 EDBDRO CC(C)[NH+]1CCC(N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)CC1 ZINC000610915846 450380091 /nfs/dbraw/zinc/38/00/91/450380091.db2.gz SBPUZFUODABBJM-UHFFFAOYSA-N 1 0 336.440 1.323 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000230735261 486845736 /nfs/dbraw/zinc/84/57/36/486845736.db2.gz SWJSKGJJFNOFNC-LBPRGKRZSA-N 1 0 333.797 1.587 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000377200368 486443473 /nfs/dbraw/zinc/44/34/73/486443473.db2.gz XZJZWRZRNQFHHR-UHFFFAOYSA-N 1 0 334.332 1.732 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174529491 534618117 /nfs/dbraw/zinc/61/81/17/534618117.db2.gz KGXWOWFPCBCKEE-AWEZNQCLSA-N 1 0 335.408 1.434 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178087134 534628095 /nfs/dbraw/zinc/62/80/95/534628095.db2.gz SRANYWJGHVAAQL-AWEZNQCLSA-N 1 0 349.387 1.154 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000370770970 526671541 /nfs/dbraw/zinc/67/15/41/526671541.db2.gz HGPUNNPQBZIDBO-OAHLLOKOSA-N 1 0 349.435 1.906 20 5 EDBDRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000271685488 536537413 /nfs/dbraw/zinc/53/74/13/536537413.db2.gz QKRYIODBQQXLBE-GHMZBOCLSA-N 1 0 338.364 1.106 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181930966 528290572 /nfs/dbraw/zinc/29/05/72/528290572.db2.gz SWNQAVZNABAVLA-GJZGRUSLSA-N 1 0 337.420 1.751 20 5 EDBDRO CC(C)(C(=O)N1CCC([NH2+]CC2CC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000236695992 535012083 /nfs/dbraw/zinc/01/20/83/535012083.db2.gz IPBFCOVFNLLRRP-UHFFFAOYSA-N 1 0 335.408 1.517 20 5 EDBDRO CC(C)N1C(=O)N[C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000345564612 535140753 /nfs/dbraw/zinc/14/07/53/535140753.db2.gz ZMHAAALVAZTCOF-HOTGVXAUSA-N 1 0 348.403 1.850 20 5 EDBDRO CCNC(=O)[C@H](C)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000263813525 535404962 /nfs/dbraw/zinc/40/49/62/535404962.db2.gz NUSWVQSJVBCXJF-NSHDSACASA-N 1 0 331.376 1.610 20 5 EDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000270527499 535970665 /nfs/dbraw/zinc/97/06/65/535970665.db2.gz NUHNGKLNJPXGPC-MRXNPFEDSA-N 1 0 334.376 1.047 20 5 EDBDRO C[NH2+][C@@H](C)Cc1noc(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000261900230 536349301 /nfs/dbraw/zinc/34/93/01/536349301.db2.gz YLUHKKQVKCVUEN-VIFPVBQESA-N 1 0 334.332 1.490 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCCOCC2)cc1[N+](=O)[O-] ZINC000353238254 536476813 /nfs/dbraw/zinc/47/68/13/536476813.db2.gz PJOTZNWUTUPNAK-ZDUSSCGKSA-N 1 0 338.360 1.805 20 5 EDBDRO CC(C)(C)S(=O)(=O)CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000743252202 579474136 /nfs/dbraw/zinc/47/41/36/579474136.db2.gz QAGRVSATVGOQBB-CYBMUJFWSA-N 1 0 330.406 1.431 20 5 EDBDRO CN1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1=O ZINC000726797746 578361795 /nfs/dbraw/zinc/36/17/95/578361795.db2.gz VYEJEHOHZDOTNR-AWEZNQCLSA-N 1 0 332.404 1.905 20 5 EDBDRO CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732034413 578687916 /nfs/dbraw/zinc/68/79/16/578687916.db2.gz FHZOEDQCOLDNJA-OAHLLOKOSA-N 1 0 343.387 1.640 20 5 EDBDRO CN(Cn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732187979 578695936 /nfs/dbraw/zinc/69/59/36/578695936.db2.gz CJMZGCHYLNRRHT-ZDUSSCGKSA-N 1 0 332.360 1.629 20 5 EDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3nc4ccccn4c3[N+](=O)[O-])CC2)C1 ZINC000734484949 578816177 /nfs/dbraw/zinc/81/61/77/578816177.db2.gz NVHGWRDDMYPPTN-AWEZNQCLSA-N 1 0 344.419 1.459 20 5 EDBDRO O=C(NC1CC1)N[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000760907695 580041136 /nfs/dbraw/zinc/04/11/36/580041136.db2.gz ONBKKWRKCFNVBZ-HIFRSBDPSA-N 1 0 334.376 1.164 20 5 EDBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736292183 578974647 /nfs/dbraw/zinc/97/46/47/578974647.db2.gz IOBMGJIVYABFOU-YPMHNXCESA-N 1 0 343.391 1.838 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736481549 578993184 /nfs/dbraw/zinc/99/31/84/578993184.db2.gz WJALNRYMXDMUEH-JTQLQIEISA-N 1 0 332.368 1.314 20 5 EDBDRO Cc1nn(CCC(=O)O[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000788114213 579214003 /nfs/dbraw/zinc/21/40/03/579214003.db2.gz DNNCIDKQVHRZFC-ZIAGYGMSSA-N 1 0 336.392 1.968 20 5 EDBDRO COC1CC[NH+](CCNC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000751040603 579792618 /nfs/dbraw/zinc/79/26/18/579792618.db2.gz ZJSZANATNCTQRT-UHFFFAOYSA-N 1 0 338.433 1.992 20 5 EDBDRO C/C(=C\C(=O)N1CC[NH+](C(C)(C)CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752679475 579863602 /nfs/dbraw/zinc/86/36/02/579863602.db2.gz LEIREVLGVAXWOX-WYMLVPIESA-N 1 0 347.415 1.913 20 5 EDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[NH+](CCCCO)CC3)c21 ZINC000754044139 579894572 /nfs/dbraw/zinc/89/45/72/579894572.db2.gz TUPVZCXPIXQSFH-UHFFFAOYSA-N 1 0 331.376 1.433 20 5 EDBDRO Nc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000762592391 580078451 /nfs/dbraw/zinc/07/84/51/580078451.db2.gz VGSPGABFGWEPSQ-AWEZNQCLSA-N 1 0 348.403 1.504 20 5 EDBDRO COC(=O)C[C@]1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCCOC1 ZINC000770702577 580268412 /nfs/dbraw/zinc/26/84/12/580268412.db2.gz POUUDHPWGFZSPP-MRXNPFEDSA-N 1 0 338.360 1.676 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(Cn3ccnn3)CC2)cc1 ZINC000776276669 580413634 /nfs/dbraw/zinc/41/36/34/580413634.db2.gz ISKSORRCFLNDML-INIZCTEOSA-N 1 0 331.376 1.632 20 5 EDBDRO COC(=O)[C@@H]1CC12CC[NH+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776583395 580422218 /nfs/dbraw/zinc/42/22/18/580422218.db2.gz FJMKTZKWBSUQFX-GJZGRUSLSA-N 1 0 334.372 1.903 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CCC[C@H]1C ZINC000780864766 580535430 /nfs/dbraw/zinc/53/54/30/580535430.db2.gz GKTMCZVWIMZHHM-GFCCVEGCSA-N 1 0 327.406 1.666 20 5 EDBDRO C[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788594661 580725392 /nfs/dbraw/zinc/72/53/92/580725392.db2.gz OJMAFTYJEWAOJX-GXTWGEPZSA-N 1 0 349.435 1.415 20 5 EDBDRO C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788711462 580728404 /nfs/dbraw/zinc/72/84/04/580728404.db2.gz MNFKGSRLXCQCMX-AAEUAGOBSA-N 1 0 337.376 1.750 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](O)C[NH+](C)C ZINC000790268396 580765496 /nfs/dbraw/zinc/76/54/96/580765496.db2.gz OJSBSVIROSPTGM-VIFPVBQESA-N 1 0 331.756 1.369 20 5 EDBDRO NC(=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CCOCC1 ZINC000801539239 581079257 /nfs/dbraw/zinc/07/92/57/581079257.db2.gz DYIIDNJTEDEUSC-CYBMUJFWSA-N 1 0 325.340 1.494 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000892213052 590867480 /nfs/dbraw/zinc/86/74/80/590867480.db2.gz UYKBGWIRFKVSFA-UONOGXRCSA-N 1 0 348.403 1.982 20 5 EDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000892417680 591019570 /nfs/dbraw/zinc/01/95/70/591019570.db2.gz GFWDTPMKXPSPCM-HZPDHXFCSA-N 1 0 348.403 1.335 20 5 EDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2)C1 ZINC000892561021 591072833 /nfs/dbraw/zinc/07/28/33/591072833.db2.gz KYBYWUAYCALQAP-ZDUSSCGKSA-N 1 0 349.391 1.719 20 5 EDBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891758177 591214102 /nfs/dbraw/zinc/21/41/02/591214102.db2.gz NESUIUAGISLBIT-BETUJISGSA-N 1 0 338.795 1.937 20 5 EDBDRO [NH3+][C@@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841161945 591231103 /nfs/dbraw/zinc/23/11/03/591231103.db2.gz RESGILXZIHZLKA-SSDOTTSWSA-N 1 0 329.154 1.922 20 5 EDBDRO CCOC(=O)c1ccnc(N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000894796824 591420112 /nfs/dbraw/zinc/42/01/12/591420112.db2.gz FDKWXJWDLURCLL-IRXDYDNUSA-N 1 0 348.403 1.945 20 5 EDBDRO CC(C)(CCC(=O)NC1CC[NH+](C2CCOCC2)CC1)[N+](=O)[O-] ZINC000898637396 591451050 /nfs/dbraw/zinc/45/10/50/591451050.db2.gz SAVSAWBAFWRDMA-UHFFFAOYSA-N 1 0 327.425 1.582 20 5 EDBDRO C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC000896561406 591514888 /nfs/dbraw/zinc/51/48/88/591514888.db2.gz AHGNCZWJDXXGJH-QMTHXVAHSA-N 1 0 340.811 1.612 20 5 EDBDRO C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896557223 591522164 /nfs/dbraw/zinc/52/21/64/591522164.db2.gz SRGCJICJPCKEEQ-CJNGLKHVSA-N 1 0 334.420 1.278 20 5 EDBDRO CC[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(=O)OC ZINC000895128427 591604290 /nfs/dbraw/zinc/60/42/90/591604290.db2.gz YCDMCPSTEAMOSN-GFCCVEGCSA-N 1 0 336.392 1.747 20 5 EDBDRO C[C@H](Nc1c2ccccc2ncc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895245839 591678295 /nfs/dbraw/zinc/67/82/95/591678295.db2.gz IGXJLXPMBMLPQC-BLLLJJGKSA-N 1 0 329.404 1.611 20 5 EDBDRO CCOc1cc(NCCN2CCC3(C2)OCCO3)ccc1[N+](=O)[O-] ZINC000895253660 591683124 /nfs/dbraw/zinc/68/31/24/591683124.db2.gz ILKWVFLTRBDIKC-UHFFFAOYSA-N 1 0 337.376 1.854 20 5 EDBDRO Cn1cc(C[NH2+][C@@H]2CC23CC(O)C3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000897850391 591695470 /nfs/dbraw/zinc/69/54/70/591695470.db2.gz HNDJDDYGISBLOH-ISXOHVOVSA-N 1 0 328.372 1.998 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(N[C@H]3CCC[N@@H+]4CCSC[C@@H]34)nn21 ZINC000895566309 591807442 /nfs/dbraw/zinc/80/74/42/591807442.db2.gz JAWQEAKTYNVZCZ-QWRGUYRKSA-N 1 0 334.405 1.629 20 5 EDBDRO C[N@H+](CCO)CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000899737763 591926255 /nfs/dbraw/zinc/92/62/55/591926255.db2.gz PPTAGRFZPKLVNE-UHFFFAOYSA-N 1 0 339.395 1.335 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000902709151 592048578 /nfs/dbraw/zinc/04/85/78/592048578.db2.gz VCOIFYLVXGGQER-RISCZKNCSA-N 1 0 334.376 1.393 20 5 EDBDRO CCS(=O)(=O)NC1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000903006663 592100019 /nfs/dbraw/zinc/10/00/19/592100019.db2.gz PTYYAGWNNQSDFG-UHFFFAOYSA-N 1 0 345.396 1.638 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](Nc3ncccn3)C2)cc1 ZINC000903027659 592108372 /nfs/dbraw/zinc/10/83/72/592108372.db2.gz DUDGXJHJDBESPE-ZDUSSCGKSA-N 1 0 329.360 1.950 20 5 EDBDRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000903577096 592228269 /nfs/dbraw/zinc/22/82/69/592228269.db2.gz FAKKBPHCBWUZEH-LBPRGKRZSA-N 1 0 327.406 1.666 20 5 EDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)C2(O)CCC2)cc(C(F)(F)F)c1 ZINC000905238375 592484015 /nfs/dbraw/zinc/48/40/15/592484015.db2.gz PWSBELPJQSMHSE-LBPRGKRZSA-N 1 0 334.294 1.979 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1 ZINC000905447929 592528609 /nfs/dbraw/zinc/52/86/09/592528609.db2.gz VPALDYHFXHDUTE-NXEZZACHSA-N 1 0 344.236 1.776 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1C[NH2+]CCC1(F)F ZINC000905678868 592609521 /nfs/dbraw/zinc/60/95/21/592609521.db2.gz SMCIPJCBDOHJEM-VIFPVBQESA-N 1 0 328.319 1.611 20 5 EDBDRO C[NH2+]CCN(c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C(C)C ZINC000905730318 592630839 /nfs/dbraw/zinc/63/08/39/592630839.db2.gz MGLSYANINJEDDV-UHFFFAOYSA-N 1 0 345.403 1.994 20 5 EDBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000907548164 592702454 /nfs/dbraw/zinc/70/24/54/592702454.db2.gz OEQKOIDWHICTDN-YGRLFVJLSA-N 1 0 343.380 1.306 20 5 EDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc4c(c3[N+](=O)[O-])OCCCO4)C[C@H]21 ZINC000909144950 592747916 /nfs/dbraw/zinc/74/79/16/592747916.db2.gz BKIHWTSPYXDRFM-IMRBUKKESA-N 1 0 347.371 1.388 20 5 EDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906361731 592805039 /nfs/dbraw/zinc/80/50/39/592805039.db2.gz MBPPLYPMJZPEMV-GFCCVEGCSA-N 1 0 349.387 1.828 20 5 EDBDRO CN(CCC[NH+](C)C)C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000906552508 592849572 /nfs/dbraw/zinc/84/95/72/592849572.db2.gz LSJNEHREPRDPLN-UHFFFAOYSA-N 1 0 345.403 1.863 20 5 EDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906623105 592860043 /nfs/dbraw/zinc/86/00/43/592860043.db2.gz WATYTGXDAJQGNY-GFCCVEGCSA-N 1 0 349.387 1.828 20 5 EDBDRO C[NH+]1CCC(N(CCO)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000911933580 593038739 /nfs/dbraw/zinc/03/87/39/593038739.db2.gz LQOUWZVBRXXGRU-QPJJXVBHSA-N 1 0 333.388 1.523 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000912151040 593066010 /nfs/dbraw/zinc/06/60/10/593066010.db2.gz QDKVIRVURFDTCT-HNNXBMFYSA-N 1 0 341.795 1.711 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000838140245 593132865 /nfs/dbraw/zinc/13/28/65/593132865.db2.gz FCRNFWIHSSMZHF-ZDUSSCGKSA-N 1 0 345.403 1.793 20 5 EDBDRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000839522542 593310191 /nfs/dbraw/zinc/31/01/91/593310191.db2.gz WUWGIZXVMORMQO-UHFFFAOYSA-N 1 0 342.783 1.597 20 5 EDBDRO CC[NH+](CC)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000810059262 593378341 /nfs/dbraw/zinc/37/83/41/593378341.db2.gz IGYAIINCCSKKAN-UHFFFAOYSA-N 1 0 344.389 1.848 20 5 EDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000761753440 593421565 /nfs/dbraw/zinc/42/15/65/593421565.db2.gz IKVVXXSKWBEWDC-GPCFVJJQSA-N 1 0 345.399 1.978 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])[C@@H]2C1 ZINC000813741563 593552770 /nfs/dbraw/zinc/55/27/70/593552770.db2.gz RFDRTSUAAQKXBX-GXSJLCMTSA-N 1 0 329.353 1.059 20 5 EDBDRO CN(C)c1cc(F)c(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000817493245 593608032 /nfs/dbraw/zinc/60/80/32/593608032.db2.gz CVGIJYWJHOCXPG-LLVKDONJSA-N 1 0 338.383 1.966 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000817526246 593609452 /nfs/dbraw/zinc/60/94/52/593609452.db2.gz ASAIZKPCXDSOOD-KBPBESRZSA-N 1 0 333.388 1.805 20 5 EDBDRO C[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[NH2+]C1 ZINC000818533231 593703663 /nfs/dbraw/zinc/70/36/63/593703663.db2.gz HEVTYWLTTOUXKW-RYUDHWBXSA-N 1 0 331.376 1.449 20 5 EDBDRO CCCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CC[NH2+]C1 ZINC000818544640 593704242 /nfs/dbraw/zinc/70/42/42/593704242.db2.gz KYMHQXQOXQIJQM-AWEZNQCLSA-N 1 0 331.376 1.545 20 5 EDBDRO C[C@@]1(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCC[NH2+]C1 ZINC000818573132 593705259 /nfs/dbraw/zinc/70/52/59/593705259.db2.gz PACGDPYMBNSQHH-MRXNPFEDSA-N 1 0 331.376 1.450 20 5 EDBDRO CNC(=O)c1cccc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819095971 593738633 /nfs/dbraw/zinc/73/86/33/593738633.db2.gz WHXTXZRVQXLJNC-KRWDZBQOSA-N 1 0 343.383 1.820 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCOC3(CCOCC3)C2)cc1 ZINC000819176180 593742989 /nfs/dbraw/zinc/74/29/89/593742989.db2.gz HRDKPECUVMGNLC-GOEBONIOSA-N 1 0 336.388 1.946 20 5 EDBDRO CC(C)[NH+](CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])C(C)C ZINC000820116584 593792645 /nfs/dbraw/zinc/79/26/45/593792645.db2.gz KJUFWTVJEZQCAW-UHFFFAOYSA-N 1 0 334.384 1.701 20 5 EDBDRO CC(C)[N@H+]1C[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000820751998 593880874 /nfs/dbraw/zinc/88/08/74/593880874.db2.gz JOURGSRNQUYGSP-GWCFXTLKSA-N 1 0 331.380 1.916 20 5 EDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821623813 593884488 /nfs/dbraw/zinc/88/44/88/593884488.db2.gz SYPUBDFESSYCIW-STQMWFEESA-N 1 0 343.391 1.695 20 5 EDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823927470 593889356 /nfs/dbraw/zinc/88/93/56/593889356.db2.gz YVEVKJQKOHBZAX-GHMZBOCLSA-N 1 0 337.380 1.096 20 5 EDBDRO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000824242190 593964648 /nfs/dbraw/zinc/96/46/48/593964648.db2.gz JRKIDDJDHGZKLI-INIZCTEOSA-N 1 0 335.404 1.959 20 5 EDBDRO [NH3+]CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(F)(F)F ZINC000825207031 594147885 /nfs/dbraw/zinc/14/78/85/594147885.db2.gz BRMTYIRBTVOYNI-SNVBAGLBSA-N 1 0 339.245 1.509 20 5 EDBDRO [NH3+]CCCCCc1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000823258442 594177107 /nfs/dbraw/zinc/17/71/07/594177107.db2.gz DCMYUPJGVQCRMH-UHFFFAOYSA-N 1 0 343.347 1.897 20 5 EDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000823619760 594221925 /nfs/dbraw/zinc/22/19/25/594221925.db2.gz APZOCEREYPFMJY-SECBINFHSA-N 1 0 330.352 1.066 20 5 EDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000826678147 594553231 /nfs/dbraw/zinc/55/32/31/594553231.db2.gz XLRYOMCSUNCFRX-VIFPVBQESA-N 1 0 328.319 1.429 20 5 EDBDRO CC(C)(CCC(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1)[N+](=O)[O-] ZINC000826982708 594616266 /nfs/dbraw/zinc/61/62/66/594616266.db2.gz ONFDDMVWXHIXAW-KBPBESRZSA-N 1 0 327.425 1.582 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000831683308 594692343 /nfs/dbraw/zinc/69/23/43/594692343.db2.gz RPRFIZFDNGBDHS-LBPRGKRZSA-N 1 0 338.795 1.368 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000832297083 594740985 /nfs/dbraw/zinc/74/09/85/594740985.db2.gz CDAWBHBPVJTFPP-RTXFEEFZSA-N 1 0 334.294 1.873 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N(C)C2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000832832551 594779783 /nfs/dbraw/zinc/77/97/83/594779783.db2.gz IDWBIIZCDDLLKU-UHFFFAOYSA-N 1 0 348.403 1.361 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000841189042 594865709 /nfs/dbraw/zinc/86/57/09/594865709.db2.gz GEBQQKQXMSGLRP-JTQLQIEISA-N 1 0 338.339 1.191 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000841207999 594868417 /nfs/dbraw/zinc/86/84/17/594868417.db2.gz JZZGVQJUVWAVPY-IUCAKERBSA-N 1 0 338.339 1.190 20 5 EDBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233135 594873919 /nfs/dbraw/zinc/87/39/19/594873919.db2.gz MEIISBLENJLBPN-VIFPVBQESA-N 1 0 328.756 1.748 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000841247837 594875564 /nfs/dbraw/zinc/87/55/64/594875564.db2.gz CPCZBDFDEZBPKS-VIFPVBQESA-N 1 0 340.355 1.615 20 5 EDBDRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841291846 594882473 /nfs/dbraw/zinc/88/24/73/594882473.db2.gz KBDPNKLKJFQRJJ-UHFFFAOYSA-N 1 0 340.767 1.445 20 5 EDBDRO O=C(NCC[NH2+]C1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841929265 594984026 /nfs/dbraw/zinc/98/40/26/594984026.db2.gz IKGUUTBHHQXWQP-UHFFFAOYSA-N 1 0 333.392 1.178 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CN(C)CCN2C)cc1Cl ZINC000836685186 594987782 /nfs/dbraw/zinc/98/77/82/594987782.db2.gz KIIYNXUCHQWYQA-NSHDSACASA-N 1 0 340.811 1.532 20 5 EDBDRO Cc1cc(F)cc(C(=O)N2CCN(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000121459785 594990689 /nfs/dbraw/zinc/99/06/89/594990689.db2.gz SFFIQQYWNKOXJU-UHFFFAOYSA-N 1 0 338.383 1.362 20 5 EDBDRO CC[C@@H](C)[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000104687785 595057783 /nfs/dbraw/zinc/05/77/83/595057783.db2.gz UFTDWHKBTCIHAA-CQSZACIVSA-N 1 0 334.420 1.974 20 5 EDBDRO C[C@@H]1[C@H](COC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000845815294 595071843 /nfs/dbraw/zinc/07/18/43/595071843.db2.gz XBTXYZRRQSNKLI-YPMHNXCESA-N 1 0 332.360 1.828 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000843324715 595074221 /nfs/dbraw/zinc/07/42/21/595074221.db2.gz QZRQRRFKNJGINN-GHMZBOCLSA-N 1 0 336.348 1.929 20 5 EDBDRO Nc1ccc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC000843455551 595116683 /nfs/dbraw/zinc/11/66/83/595116683.db2.gz QVKYGSZTYZVQPZ-LLVKDONJSA-N 1 0 327.344 1.640 20 5 EDBDRO Cc1cc(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)c(N)c([N+](=O)[O-])c1 ZINC000843458232 595117609 /nfs/dbraw/zinc/11/76/09/595117609.db2.gz VJHOGMHSNSQKTM-UHFFFAOYSA-N 1 0 344.375 1.859 20 5 EDBDRO Nc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000834845534 595228667 /nfs/dbraw/zinc/22/86/67/595228667.db2.gz BWUBEOJRLFTHEM-HIFRSBDPSA-N 1 0 334.376 1.145 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)NCCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000842915953 595234271 /nfs/dbraw/zinc/23/42/71/595234271.db2.gz ODKCFUWDDVRFNF-UHFFFAOYSA-N 1 0 349.384 1.540 20 5 EDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000844040482 595254497 /nfs/dbraw/zinc/25/44/97/595254497.db2.gz NFMQEAKRDRMKAL-XURPKSDJSA-N 1 0 346.387 1.186 20 5 EDBDRO Cc1ccc([C@@H](O)C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000843084956 595283312 /nfs/dbraw/zinc/28/33/12/595283312.db2.gz DYDAWMVMNRMGFC-HIFRSBDPSA-N 1 0 336.344 1.559 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000843103476 595287733 /nfs/dbraw/zinc/28/77/33/595287733.db2.gz BRWQBMFFRUIEKZ-BPQIPLTHSA-N 1 0 346.383 1.702 20 5 EDBDRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843122470 595292474 /nfs/dbraw/zinc/29/24/74/595292474.db2.gz DAOIRSOYHHBKCX-ZDUSSCGKSA-N 1 0 327.768 1.585 20 5 EDBDRO O=C([C@H]1C[C@]12CCC[NH2+]C2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000848397182 595373746 /nfs/dbraw/zinc/37/37/46/595373746.db2.gz VOQDDTCPIQNGLY-AEFFLSMTSA-N 1 0 344.415 1.633 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848478090 595389467 /nfs/dbraw/zinc/38/94/67/595389467.db2.gz BNQSONNTYHOSHG-IAGOWNOFSA-N 1 0 346.431 1.894 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1 ZINC000848529761 595403093 /nfs/dbraw/zinc/40/30/93/595403093.db2.gz ZSNIDNJZDMIONE-IRXDYDNUSA-N 1 0 335.404 1.471 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H](N)CC[NH+](C)C)n2)c1 ZINC000844917612 595414152 /nfs/dbraw/zinc/41/41/52/595414152.db2.gz UCVPYEVIUSIPLK-LBPRGKRZSA-N 1 0 335.364 1.529 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c(C)cc1[N+](=O)[O-] ZINC000850588537 595539919 /nfs/dbraw/zinc/53/99/19/595539919.db2.gz KAMRUSCVGWFUPA-HNNXBMFYSA-N 1 0 339.417 1.728 20 5 EDBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000112916837 595562614 /nfs/dbraw/zinc/56/26/14/595562614.db2.gz WCHXYGSNSUPWLR-GFCCVEGCSA-N 1 0 338.383 1.490 20 5 EDBDRO Cc1c(C[NH3+])c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)nn1C ZINC000852899429 595604391 /nfs/dbraw/zinc/60/43/91/595604391.db2.gz HNGMDFXUKDLICG-UHFFFAOYSA-N 1 0 348.319 1.564 20 5 EDBDRO [NH3+]CC12CC(C1)CN2C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000852908256 595610054 /nfs/dbraw/zinc/61/00/54/595610054.db2.gz GQOBJPBYMVHMPB-UHFFFAOYSA-N 1 0 327.743 1.880 20 5 EDBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NCC[C@H](C)[NH+](C)C ZINC000855416798 595705405 /nfs/dbraw/zinc/70/54/05/595705405.db2.gz BBTIFTKJCBGIQH-VIFPVBQESA-N 1 0 340.355 1.762 20 5 EDBDRO C[C@@]1(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]C1 ZINC000853337728 595738390 /nfs/dbraw/zinc/73/83/90/595738390.db2.gz QVOWBXHZRCRSEH-CYBMUJFWSA-N 1 0 326.740 1.055 20 5 EDBDRO Cc1noc(CONC(=[NH2+])[C@@H]2COc3ccccc3O2)c1[N+](=O)[O-] ZINC000853676458 595852544 /nfs/dbraw/zinc/85/25/44/595852544.db2.gz CIHPZXDDHSRCIA-LBPRGKRZSA-N 1 0 334.288 1.730 20 5 EDBDRO C[NH+](C)CC1CN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000854724604 596176490 /nfs/dbraw/zinc/17/64/90/596176490.db2.gz RVJOKWRVDJGXRX-HNNXBMFYSA-N 1 0 332.360 1.108 20 5 EDBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)C2 ZINC000854735463 596180931 /nfs/dbraw/zinc/18/09/31/596180931.db2.gz PXVUWRXPXHZEFN-INIZCTEOSA-N 1 0 336.367 1.874 20 5 EDBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859962379 596234881 /nfs/dbraw/zinc/23/48/81/596234881.db2.gz QMASUGHZLPEFQG-JGZJWPJOSA-N 1 0 338.339 1.258 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866827313 596368019 /nfs/dbraw/zinc/36/80/19/596368019.db2.gz KYFYEOURMXYUPY-KBPBESRZSA-N 1 0 339.417 1.727 20 5 EDBDRO CN1CCC[N@H+](CCCNc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865485448 596588080 /nfs/dbraw/zinc/58/80/80/596588080.db2.gz RKIAVPZWSNAENA-UHFFFAOYSA-N 1 0 340.399 1.666 20 5 EDBDRO O=[N+]([O-])c1cc(CO)c(N2CC[NH+](CCCCO)CC2)cc1F ZINC000865554672 596609720 /nfs/dbraw/zinc/60/97/20/596609720.db2.gz LCPZYYKDWXJGSZ-UHFFFAOYSA-N 1 0 327.356 1.121 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000865584613 596618066 /nfs/dbraw/zinc/61/80/66/596618066.db2.gz YEUGGVZPGHASRT-GFCCVEGCSA-N 1 0 325.340 1.113 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868310510 596783448 /nfs/dbraw/zinc/78/34/48/596783448.db2.gz UWEFFAXBZZZZGU-UHFFFAOYSA-N 1 0 338.408 1.671 20 5 EDBDRO Cc1c(NC(=O)[C@@H](C)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000872151289 596813368 /nfs/dbraw/zinc/81/33/68/596813368.db2.gz CYDCHVHBCPLNMJ-IIYDPXPESA-N 1 0 332.404 1.772 20 5 EDBDRO Cn1c2cc([N+](=O)[O-])c(N3CC[C@H]4[C@@H](CC[N@@H+]4C)C3)cc2n(C)c1=O ZINC000866208532 596827557 /nfs/dbraw/zinc/82/75/57/596827557.db2.gz NEMNXIROBDUCPE-RYUDHWBXSA-N 1 0 345.403 1.316 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC[C@@H]21 ZINC000872725585 597046940 /nfs/dbraw/zinc/04/69/40/597046940.db2.gz UTIHBHDDMLEOIW-AAEUAGOBSA-N 1 0 344.371 1.174 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CCN1c1cc[nH+]cc1 ZINC000881635434 597667371 /nfs/dbraw/zinc/66/73/71/597667371.db2.gz FTDORGBDKLIHAP-LBPRGKRZSA-N 1 0 329.360 1.679 20 5 EDBDRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000883473616 597764118 /nfs/dbraw/zinc/76/41/18/597764118.db2.gz FZXWOXBNFUOLGQ-CYBMUJFWSA-N 1 0 341.433 1.974 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(C)CCN(C(=O)CC2CC2)CC1 ZINC000939905696 700021387 /nfs/dbraw/zinc/02/13/87/700021387.db2.gz DWRJTHPEWVOIEJ-UHFFFAOYSA-N 1 0 335.408 1.599 20 5 EDBDRO COc1ccc(CNC(=S)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000917598128 697044746 /nfs/dbraw/zinc/04/47/46/697044746.db2.gz ZVQBVVVQZYHYPX-UHFFFAOYSA-N 1 0 326.422 1.519 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000917770000 697075821 /nfs/dbraw/zinc/07/58/21/697075821.db2.gz CJBAMCLVKKSFIH-OAHLLOKOSA-N 1 0 331.376 1.401 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(C)CCN(C(=O)C2CC=CC2)CC1 ZINC000940023045 700138054 /nfs/dbraw/zinc/13/80/54/700138054.db2.gz OEKWMSMABOIDSV-UHFFFAOYSA-N 1 0 347.419 1.765 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000068447867 698599801 /nfs/dbraw/zinc/59/98/01/698599801.db2.gz BXMVDIRBIXZWAK-ZDUSSCGKSA-N 1 0 335.360 1.244 20 5 EDBDRO O=C(c1cccnn1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997114178 703366416 /nfs/dbraw/zinc/36/64/16/703366416.db2.gz NFZMPAUQHBKIJE-UHFFFAOYSA-N 1 0 347.400 1.841 20 5 EDBDRO COc1cc(C[NH2+][C@H](C)CN2CCOCC2)c([N+](=O)[O-])cc1O ZINC000921535213 703402466 /nfs/dbraw/zinc/40/24/66/703402466.db2.gz XIAXWCYSJMQFQV-LLVKDONJSA-N 1 0 325.365 1.119 20 5 EDBDRO Cc1ccccc1OCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002788025 709394074 /nfs/dbraw/zinc/39/40/74/709394074.db2.gz LNXMBOIAJCMMOV-HZPDHXFCSA-N 1 0 347.415 1.620 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCN3CCOCC3)CC2)cc1 ZINC000097727291 219051053 /nfs/dbraw/zinc/05/10/53/219051053.db2.gz QJNCXBKSIFPHAH-UHFFFAOYSA-N 1 0 334.420 1.439 20 5 EDBDRO COC(=O)[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000351572262 536710526 /nfs/dbraw/zinc/71/05/26/536710526.db2.gz DFJOSHSVAASEHZ-XHDPSFHLSA-N 1 0 337.376 1.559 20 5 EDBDRO CC[C@@]1(CO)CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000187555181 529551492 /nfs/dbraw/zinc/55/14/92/529551492.db2.gz JYDWSRZHROOIQH-DOTOQJQBSA-N 1 0 338.404 1.819 20 5 EDBDRO Cc1nn(C)c(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000179719324 282255672 /nfs/dbraw/zinc/25/56/72/282255672.db2.gz BZACHHMWEYDRTK-GFCCVEGCSA-N 1 0 345.403 1.887 20 5 EDBDRO Cc1nn(C)c(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000371348755 282272047 /nfs/dbraw/zinc/27/20/47/282272047.db2.gz CTOFWEIJWFCMFS-GXTWGEPZSA-N 1 0 336.440 1.099 20 5 EDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171447152 529785955 /nfs/dbraw/zinc/78/59/55/529785955.db2.gz RCSNCNWUSNLXES-CQSZACIVSA-N 1 0 332.404 1.971 20 5 EDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000182219840 529943235 /nfs/dbraw/zinc/94/32/35/529943235.db2.gz VZKCNLNLSKQAHX-YMAMQOFZSA-N 1 0 338.404 1.817 20 5 EDBDRO [NH3+]C[C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000178553557 232251614 /nfs/dbraw/zinc/25/16/14/232251614.db2.gz ZVWYKBFHDZKWCT-JTQLQIEISA-N 1 0 327.768 1.824 20 5 EDBDRO COC(=O)[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000560823755 306279903 /nfs/dbraw/zinc/27/99/03/306279903.db2.gz OPUGLHUFPZFVER-GFCCVEGCSA-N 1 0 344.371 1.684 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1OC ZINC000104189142 219358895 /nfs/dbraw/zinc/35/88/95/219358895.db2.gz FNUQCAWBXVIICH-NSHDSACASA-N 1 0 337.376 1.684 20 5 EDBDRO CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000412836968 304039843 /nfs/dbraw/zinc/03/98/43/304039843.db2.gz JIRHOTDGVLPDKB-GFCCVEGCSA-N 1 0 329.360 1.605 20 5 EDBDRO O=C1NCCN1C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055904853 138149057 /nfs/dbraw/zinc/14/90/57/138149057.db2.gz KVYJVOYXWHYQGP-UHFFFAOYSA-N 1 0 348.403 1.853 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2ccncc2)c1 ZINC000065978379 138175558 /nfs/dbraw/zinc/17/55/58/138175558.db2.gz VTFRIENEPHSZNR-UHFFFAOYSA-N 1 0 336.373 1.058 20 5 EDBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000104067459 138299607 /nfs/dbraw/zinc/29/96/07/138299607.db2.gz OBKZROTVGQHMHZ-INIZCTEOSA-N 1 0 332.404 1.509 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000130940981 138349952 /nfs/dbraw/zinc/34/99/52/138349952.db2.gz SGSYLUUDLFIFOB-UHFFFAOYSA-N 1 0 327.356 1.361 20 5 EDBDRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000178927815 138747915 /nfs/dbraw/zinc/74/79/15/138747915.db2.gz OYXWZZGGYXDXCG-VIFPVBQESA-N 1 0 347.824 1.996 20 5 EDBDRO [NH3+]C1(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000342590240 283406391 /nfs/dbraw/zinc/40/63/91/283406391.db2.gz OLTVONHFVVNERF-UHFFFAOYSA-N 1 0 328.166 1.969 20 5 EDBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000129980768 223109331 /nfs/dbraw/zinc/10/93/31/223109331.db2.gz MJGGPEDFHPVQEN-MRXNPFEDSA-N 1 0 343.387 1.572 20 5 EDBDRO CCc1ccc(S(=O)(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000565889935 306394104 /nfs/dbraw/zinc/39/41/04/306394104.db2.gz XLEADEWJVLXPHY-LBPRGKRZSA-N 1 0 341.433 1.777 20 5 EDBDRO Cc1occc1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000414390038 304114046 /nfs/dbraw/zinc/11/40/46/304114046.db2.gz HTUBEVMSKSQNCX-UHFFFAOYSA-N 1 0 339.373 1.564 20 5 EDBDRO COc1cc(CN2CCCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000415115101 304160908 /nfs/dbraw/zinc/16/09/08/304160908.db2.gz UCLYZOQWCHERQR-LBPRGKRZSA-N 1 0 325.365 1.162 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCCCCC[NH+]1CCCCC1 ZINC000110436161 220036202 /nfs/dbraw/zinc/03/62/02/220036202.db2.gz ACAHBFSOEVQXSE-UHFFFAOYSA-N 1 0 337.424 1.954 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000078279325 217037791 /nfs/dbraw/zinc/03/77/91/217037791.db2.gz AMMYDFADJZIBNT-LBPRGKRZSA-N 1 0 339.417 1.666 20 5 EDBDRO C[NH2+]CC1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000237091732 139040416 /nfs/dbraw/zinc/04/04/16/139040416.db2.gz VMEDLEFZGLOLON-UHFFFAOYSA-N 1 0 343.387 1.852 20 5 EDBDRO COc1ccc(CSCC(=O)NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000237248323 139045681 /nfs/dbraw/zinc/04/56/81/139045681.db2.gz OFIFREFPTJZCBE-UHFFFAOYSA-N 1 0 327.406 1.690 20 5 EDBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000111372529 220146982 /nfs/dbraw/zinc/14/69/82/220146982.db2.gz OITQNQMLHAGIFV-IAQYHMDHSA-N 1 0 329.360 1.784 20 5 EDBDRO Cc1c(C(=O)N2CCC[C@@H]2C[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000237750837 139059552 /nfs/dbraw/zinc/05/95/52/139059552.db2.gz QZALZYCTLKLYSP-CYBMUJFWSA-N 1 0 330.348 1.047 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000415283359 304185348 /nfs/dbraw/zinc/18/53/48/304185348.db2.gz OHQLHVNPQDCRIK-GFCCVEGCSA-N 1 0 348.403 1.554 20 5 EDBDRO O=C(CC[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000246802542 139122265 /nfs/dbraw/zinc/12/22/65/139122265.db2.gz DBGIOQGFJXFFCH-CVEARBPZSA-N 1 0 349.387 1.803 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000415364886 304204876 /nfs/dbraw/zinc/20/48/76/304204876.db2.gz YOCDOFRHXAMASL-UHFFFAOYSA-N 1 0 334.376 1.536 20 5 EDBDRO CCCN(C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000415390095 304211921 /nfs/dbraw/zinc/21/19/21/304211921.db2.gz GOTLUYXZHYCFCO-LBPRGKRZSA-N 1 0 338.339 1.273 20 5 EDBDRO CCCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CC[NH2+]C1 ZINC000415392453 304212824 /nfs/dbraw/zinc/21/28/24/304212824.db2.gz NSZXWBBGSQSXIS-CYBMUJFWSA-N 1 0 334.376 1.442 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000415398731 304213619 /nfs/dbraw/zinc/21/36/19/304213619.db2.gz SZYNMMQVRUSHBF-VIFPVBQESA-N 1 0 340.767 1.255 20 5 EDBDRO CC(C)C[N@H+](CC(N)=O)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000092011012 218103424 /nfs/dbraw/zinc/10/34/24/218103424.db2.gz GHTZPYOUHGLMCP-UHFFFAOYSA-N 1 0 345.403 1.939 20 5 EDBDRO CCOCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000093314989 218214718 /nfs/dbraw/zinc/21/47/18/218214718.db2.gz PXRYGVBQIDISSM-UHFFFAOYSA-N 1 0 325.365 1.900 20 5 EDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415413464 304217314 /nfs/dbraw/zinc/21/73/14/304217314.db2.gz YTIUWQIIEQROMK-VIFPVBQESA-N 1 0 340.767 1.303 20 5 EDBDRO CNS(=O)(=O)c1ccc(N[C@@H]2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000261625367 139212344 /nfs/dbraw/zinc/21/23/44/139212344.db2.gz BISGETWYTAFYMR-CMPLNLGQSA-N 1 0 342.421 1.432 20 5 EDBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000261793263 139226611 /nfs/dbraw/zinc/22/66/11/139226611.db2.gz ZFCWDKCDQHVFBZ-GFCCVEGCSA-N 1 0 343.387 1.434 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1C ZINC000261816823 139228569 /nfs/dbraw/zinc/22/85/69/139228569.db2.gz GYFXFRAPVLOLPR-HNNXBMFYSA-N 1 0 341.433 1.880 20 5 EDBDRO C[NH2+]CCC1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000261981600 139241632 /nfs/dbraw/zinc/24/16/32/139241632.db2.gz IEFHIEJRNLABFQ-UHFFFAOYSA-N 1 0 346.431 1.805 20 5 EDBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000262034447 139245425 /nfs/dbraw/zinc/24/54/25/139245425.db2.gz OKDIIOFTTQPNIC-AWEZNQCLSA-N 1 0 338.383 1.553 20 5 EDBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1csc([N+](=O)[O-])c1 ZINC000262074186 139248777 /nfs/dbraw/zinc/24/87/77/139248777.db2.gz SICXLMRGDKNWHE-LBPRGKRZSA-N 1 0 326.422 1.476 20 5 EDBDRO CO[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000262088688 139250043 /nfs/dbraw/zinc/25/00/43/139250043.db2.gz HSYWXZNMGUHEOL-STQMWFEESA-N 1 0 327.768 1.827 20 5 EDBDRO [NH3+]Cc1cc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)ccn1 ZINC000262127937 139253264 /nfs/dbraw/zinc/25/32/64/139253264.db2.gz CRBPNRYLDGNJFB-UHFFFAOYSA-N 1 0 341.371 1.411 20 5 EDBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000262142845 139254645 /nfs/dbraw/zinc/25/46/45/139254645.db2.gz ZFXWVNRWEBJMEY-YERXGYGTSA-N 1 0 346.431 1.928 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000415558257 251011501 /nfs/dbraw/zinc/01/15/01/251011501.db2.gz JPGYJHDYFZJMPK-WDEREUQCSA-N 1 0 334.376 1.359 20 5 EDBDRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000262275014 139265712 /nfs/dbraw/zinc/26/57/12/139265712.db2.gz TVCUFELUFMWSIB-RKVPGOIHSA-N 1 0 347.415 1.786 20 5 EDBDRO NS(=O)(=O)c1ccc(N[C@H](C[NH3+])C2CCCC2)c([N+](=O)[O-])c1 ZINC000262548651 139285818 /nfs/dbraw/zinc/28/58/18/139285818.db2.gz SBEQGADWMFXJFE-GFCCVEGCSA-N 1 0 328.394 1.172 20 5 EDBDRO C[C@H](CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CC[NH2+]CC1 ZINC000569573630 306511430 /nfs/dbraw/zinc/51/14/30/306511430.db2.gz XVUJWDKEERDWAZ-CYBMUJFWSA-N 1 0 349.435 1.981 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420414789 251710384 /nfs/dbraw/zinc/71/03/84/251710384.db2.gz HRTSYJBJOHPPBY-PBWFPOADSA-N 1 0 339.417 1.340 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000262753915 139301365 /nfs/dbraw/zinc/30/13/65/139301365.db2.gz HDLJSMGKOZXJMQ-KCJUWKMLSA-N 1 0 347.368 1.019 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000262885741 139310549 /nfs/dbraw/zinc/31/05/49/139310549.db2.gz NYIFVMWCXGJQAL-QWRGUYRKSA-N 1 0 337.376 1.872 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000423995339 252110614 /nfs/dbraw/zinc/11/06/14/252110614.db2.gz JIZBNXSAHXAKHG-HNNXBMFYSA-N 1 0 343.387 1.663 20 5 EDBDRO Cc1c(CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)cccc1[N+](=O)[O-] ZINC000424164052 252151118 /nfs/dbraw/zinc/15/11/18/252151118.db2.gz BNKLCVBNXKNGDP-CYBMUJFWSA-N 1 0 344.375 1.349 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000424361966 252199497 /nfs/dbraw/zinc/19/94/97/252199497.db2.gz YFGPKJMYDYIVJO-MFKMUULPSA-N 1 0 348.359 1.049 20 5 EDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000569695475 306516563 /nfs/dbraw/zinc/51/65/63/306516563.db2.gz AJPKXXATFBRFBU-DTWKUNHWSA-N 1 0 340.405 1.028 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415651843 304248005 /nfs/dbraw/zinc/24/80/05/304248005.db2.gz CQSBCMGDJHMTSY-JQWIXIFHSA-N 1 0 334.376 1.407 20 5 EDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000133750438 533025214 /nfs/dbraw/zinc/02/52/14/533025214.db2.gz NDDRBOGUHWJVCC-ZDUSSCGKSA-N 1 0 329.360 1.605 20 5 EDBDRO COc1cc(OCC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000153411560 533089207 /nfs/dbraw/zinc/08/92/07/533089207.db2.gz BILDUSNFSWWLAF-GFCCVEGCSA-N 1 0 337.376 1.535 20 5 EDBDRO COC[C@H](O)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000153750152 533111688 /nfs/dbraw/zinc/11/16/88/533111688.db2.gz ZKKIBHSGDCSOHK-OAHLLOKOSA-N 1 0 334.376 1.482 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449191183 254640766 /nfs/dbraw/zinc/64/07/66/254640766.db2.gz OGUWDDLULHUNKE-KGLIPLIRSA-N 1 0 333.388 1.822 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000449639217 254643187 /nfs/dbraw/zinc/64/31/87/254643187.db2.gz OGSSHPGARJFGJT-DGCLKSJQSA-N 1 0 344.375 1.423 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000494673382 255257131 /nfs/dbraw/zinc/25/71/31/255257131.db2.gz LEINOGAVYLECEQ-CMPLNLGQSA-N 1 0 340.428 1.461 20 5 EDBDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000495564251 255301722 /nfs/dbraw/zinc/30/17/22/255301722.db2.gz IWFTYSATARSYFQ-STQMWFEESA-N 1 0 339.396 1.638 20 5 EDBDRO COc1ncccc1CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570446810 306542719 /nfs/dbraw/zinc/54/27/19/306542719.db2.gz FGIKXGZHMADSOW-AWEZNQCLSA-N 1 0 347.371 1.570 20 5 EDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000117241581 221038219 /nfs/dbraw/zinc/03/82/19/221038219.db2.gz BHPXVXLEVSZHEN-LLVKDONJSA-N 1 0 344.371 1.508 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000266306882 139528634 /nfs/dbraw/zinc/52/86/34/139528634.db2.gz ZOIIAAIQPPKLQD-LBPRGKRZSA-N 1 0 333.392 1.401 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1C ZINC000193407457 291992729 /nfs/dbraw/zinc/99/27/29/291992729.db2.gz HYHRQXXSXHVLFB-CABZTGNLSA-N 1 0 327.406 1.488 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420263301 292017356 /nfs/dbraw/zinc/01/73/56/292017356.db2.gz BSXDFAAFPFAKOC-VXGBXAGGSA-N 1 0 334.376 1.602 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000268124155 139721981 /nfs/dbraw/zinc/72/19/81/139721981.db2.gz AKFTUQDKYVLLLO-FZMZJTMJSA-N 1 0 334.376 1.250 20 5 EDBDRO CS[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@H]1[NH+](C)C ZINC000270540972 140119939 /nfs/dbraw/zinc/11/99/39/140119939.db2.gz XNIXQQPTBIDNEH-NEPJUHHUSA-N 1 0 342.396 1.434 20 5 EDBDRO COc1ccc(NC(=O)CN2C[C@@H](C)[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000270637625 140139022 /nfs/dbraw/zinc/13/90/22/140139022.db2.gz IEGOCNUWFVENRG-IAQYHMDHSA-N 1 0 336.392 1.424 20 5 EDBDRO O=C1CCCN1[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000270824001 140176612 /nfs/dbraw/zinc/17/66/12/140176612.db2.gz BRHVTPDDPLTYGG-CABCVRRESA-N 1 0 349.387 1.031 20 5 EDBDRO CN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000270909171 140196197 /nfs/dbraw/zinc/19/61/97/140196197.db2.gz UNDXTMKITONGPM-CYBMUJFWSA-N 1 0 329.360 1.664 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)[C@@H](C)CO ZINC000295749346 140626716 /nfs/dbraw/zinc/62/67/16/140626716.db2.gz NOHLBLJGXFCDNV-WDEREUQCSA-N 1 0 325.365 1.539 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c1 ZINC000572159389 306582468 /nfs/dbraw/zinc/58/24/68/306582468.db2.gz KDOWVNLELAZEAJ-FHLIZLRMSA-N 1 0 344.367 1.582 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000332259279 141148493 /nfs/dbraw/zinc/14/84/93/141148493.db2.gz DHGJOBFJXRDXOR-ZUZCIYMTSA-N 1 0 339.342 1.968 20 5 EDBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)c1 ZINC000339759974 142147683 /nfs/dbraw/zinc/14/76/83/142147683.db2.gz KPMLTTQAYNAQTC-DLBZAZTESA-N 1 0 336.388 1.883 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1[N+](=O)[O-] ZINC000193419229 292087384 /nfs/dbraw/zinc/08/73/84/292087384.db2.gz FMWWYPLAAKSSNW-JOYOIKCWSA-N 1 0 327.406 1.488 20 5 EDBDRO CO[C@@H]1C[C@H](CN(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[N@H+](C)C1 ZINC000346697283 143233335 /nfs/dbraw/zinc/23/33/35/143233335.db2.gz BTQBUPBMTZLPHE-CHWSQXEVSA-N 1 0 346.387 1.867 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000347497106 143328966 /nfs/dbraw/zinc/32/89/66/143328966.db2.gz LZHCXEAVNOORDR-LLVKDONJSA-N 1 0 335.360 1.453 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000348060659 143396569 /nfs/dbraw/zinc/39/65/69/143396569.db2.gz UZSQJPFLGXKGLP-LSDHHAIUSA-N 1 0 339.417 1.651 20 5 EDBDRO C[N@@H+]1CCC[C@H](CC[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000416559829 304331497 /nfs/dbraw/zinc/33/14/97/304331497.db2.gz KLQJEMPUYGHJGK-LLVKDONJSA-N 1 0 345.396 1.744 20 5 EDBDRO CCCN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@@H]1CC[NH2+]C1 ZINC000573235613 306616300 /nfs/dbraw/zinc/61/63/00/306616300.db2.gz HPUWQVWEMHXPKF-LLVKDONJSA-N 1 0 335.360 1.580 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)c1 ZINC000573238961 306616490 /nfs/dbraw/zinc/61/64/90/306616490.db2.gz GKJDVUXJDCDAPB-UNEWFSDZSA-N 1 0 336.388 1.882 20 5 EDBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000352664037 149107403 /nfs/dbraw/zinc/10/74/03/149107403.db2.gz AQJYPNDRCLUZEC-DZGCQCFKSA-N 1 0 337.376 1.777 20 5 EDBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000352664774 149107852 /nfs/dbraw/zinc/10/78/52/149107852.db2.gz CPSRXOOWJXSZQT-HIFRSBDPSA-N 1 0 337.376 1.777 20 5 EDBDRO CN1CC[C@H]([N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000352668605 149110642 /nfs/dbraw/zinc/11/06/42/149110642.db2.gz TXJXYGZQKTUKBV-AWEZNQCLSA-N 1 0 344.371 1.955 20 5 EDBDRO C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000352998441 149246546 /nfs/dbraw/zinc/24/65/46/149246546.db2.gz ROJZZHISEVHADR-TZMCWYRMSA-N 1 0 348.403 1.375 20 5 EDBDRO CCC[N@H+](CC)C[C@H](C)Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000357772838 151146866 /nfs/dbraw/zinc/14/68/66/151146866.db2.gz DEDMNALZNHMYRM-NSHDSACASA-N 1 0 344.437 1.775 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000357839401 151168628 /nfs/dbraw/zinc/16/86/28/151168628.db2.gz YAQIWGHMLBJFEA-OCCSQVGLSA-N 1 0 343.387 1.579 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000357858006 151174222 /nfs/dbraw/zinc/17/42/22/151174222.db2.gz MKIMORSQTUTWSC-UHFFFAOYSA-N 1 0 333.388 1.966 20 5 EDBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000357967945 151214516 /nfs/dbraw/zinc/21/45/16/151214516.db2.gz ZZJOIDWLNJMCHO-GXTWGEPZSA-N 1 0 343.387 1.894 20 5 EDBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000362625855 152763073 /nfs/dbraw/zinc/76/30/73/152763073.db2.gz YZRUGJOAWFASPP-LBPRGKRZSA-N 1 0 325.413 1.619 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417183126 304381810 /nfs/dbraw/zinc/38/18/10/304381810.db2.gz PLJSAPARIIEQJI-AWEZNQCLSA-N 1 0 336.392 1.920 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417181042 304381351 /nfs/dbraw/zinc/38/13/51/304381351.db2.gz NTQPMQJBNGYMRK-YRGRVCCFSA-N 1 0 348.403 1.791 20 5 EDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000364037056 153129373 /nfs/dbraw/zinc/12/93/73/153129373.db2.gz UYOIWTLNTPSELU-LJFOUZCWSA-N 1 0 345.399 1.666 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000364199992 153170951 /nfs/dbraw/zinc/17/09/51/153170951.db2.gz FVEMQNXOVLNDHW-HIFRSBDPSA-N 1 0 339.417 1.795 20 5 EDBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000370215658 155380999 /nfs/dbraw/zinc/38/09/99/155380999.db2.gz NDVDFSLPOQBHCA-MRXNPFEDSA-N 1 0 329.404 1.998 20 5 EDBDRO COc1ccc(CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000417201619 304384122 /nfs/dbraw/zinc/38/41/22/304384122.db2.gz WSZQKFBISKFLPQ-GFCCVEGCSA-N 1 0 344.318 1.400 20 5 EDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417226554 304385949 /nfs/dbraw/zinc/38/59/49/304385949.db2.gz KVJWLIYDXPQGLL-KKNUOHPOSA-N 1 0 332.404 1.952 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000366280292 153768588 /nfs/dbraw/zinc/76/85/88/153768588.db2.gz AWRSENFHPNVBDH-TZMCWYRMSA-N 1 0 339.417 1.530 20 5 EDBDRO COc1cc(C[NH2+][C@H]2CCN(c3ccn(C)n3)C2)c([N+](=O)[O-])cc1O ZINC000367701828 154234879 /nfs/dbraw/zinc/23/48/79/154234879.db2.gz UEHSQHSFVNSYCW-LBPRGKRZSA-N 1 0 347.375 1.411 20 5 EDBDRO Cn1ccnc(N2CCC([NH2+]Cc3csc([N+](=O)[O-])c3)CC2)c1=O ZINC000369512008 155063881 /nfs/dbraw/zinc/06/38/81/155063881.db2.gz VRRWLXVHCJZFEK-UHFFFAOYSA-N 1 0 349.416 1.509 20 5 EDBDRO Cc1ccc(NCCCNC(=O)[C@H]2C[C@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000372431750 156386480 /nfs/dbraw/zinc/38/64/80/156386480.db2.gz OYEURIVOLRMAPY-DYVFJYSZSA-N 1 0 332.404 1.821 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000374420179 157285507 /nfs/dbraw/zinc/28/55/07/157285507.db2.gz KDLHYZJDWBFGQB-PVAVHDDUSA-N 1 0 347.415 1.847 20 5 EDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000374437105 157291307 /nfs/dbraw/zinc/29/13/07/157291307.db2.gz LYAXZBNWHFQTMR-FGWVZKOKSA-N 1 0 329.360 1.956 20 5 EDBDRO CN(C(=O)CN1CCC[C@H](c2nnc[nH]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000374544372 157324180 /nfs/dbraw/zinc/32/41/80/157324180.db2.gz FTKHBPNNJQGFCJ-LBPRGKRZSA-N 1 0 344.375 1.555 20 5 EDBDRO COc1cc(C[NH2+][C@H]2CC(=O)N3CCCC[C@H]23)c([N+](=O)[O-])cc1O ZINC000374590654 157337620 /nfs/dbraw/zinc/33/76/20/157337620.db2.gz FBUHQKUPXNFGNG-NWDGAFQWSA-N 1 0 335.360 1.552 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccc([N+](=O)[O-])s1 ZINC000378228797 158116002 /nfs/dbraw/zinc/11/60/02/158116002.db2.gz YBJUEPCRDFBHCN-IJLUTSLNSA-N 1 0 339.417 1.980 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378237009 158118343 /nfs/dbraw/zinc/11/83/43/158118343.db2.gz ZFUGQMZUNOWLEY-KGLIPLIRSA-N 1 0 335.408 1.480 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000078572491 287294450 /nfs/dbraw/zinc/29/44/50/287294450.db2.gz HAZPVTOXDKZSKT-LBPRGKRZSA-N 1 0 327.406 1.523 20 5 EDBDRO O=C(NCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccn[nH]1 ZINC000193275013 272990057 /nfs/dbraw/zinc/99/00/57/272990057.db2.gz UGWCGKAOSVCZIW-AWEZNQCLSA-N 1 0 329.360 1.715 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc1C ZINC000262752886 273017859 /nfs/dbraw/zinc/01/78/59/273017859.db2.gz GXGPRVLZFVJLEP-VXGBXAGGSA-N 1 0 327.406 1.583 20 5 EDBDRO C[C@@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000273461513 268044842 /nfs/dbraw/zinc/04/48/42/268044842.db2.gz IGZSQESAHLCUDM-VIFPVBQESA-N 1 0 328.394 1.137 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NCCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000273065885 273027060 /nfs/dbraw/zinc/02/70/60/273027060.db2.gz MGDCLORRJFVVJD-UHFFFAOYSA-N 1 0 336.392 1.091 20 5 EDBDRO C[NH+](C)C1(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CCC1 ZINC000275492869 268351276 /nfs/dbraw/zinc/35/12/76/268351276.db2.gz RIVQMVFNBYBSJF-UHFFFAOYSA-N 1 0 328.394 1.138 20 5 EDBDRO CN1CC[C@@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1=O ZINC000275524986 268354712 /nfs/dbraw/zinc/35/47/12/268354712.db2.gz WGQRFOYWLGYFJK-CYBMUJFWSA-N 1 0 338.339 1.225 20 5 EDBDRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000274731655 273098309 /nfs/dbraw/zinc/09/83/09/273098309.db2.gz ULMCTLIYKFZKCO-GFCCVEGCSA-N 1 0 327.406 1.746 20 5 EDBDRO C[NH+](C)CCOc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000046721453 272912658 /nfs/dbraw/zinc/91/26/58/272912658.db2.gz VIIZCWNDCFUDFF-UHFFFAOYSA-N 1 0 333.348 1.370 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000277084943 273179643 /nfs/dbraw/zinc/17/96/43/273179643.db2.gz KYHCUKSFILRUMU-JSGCOSHPSA-N 1 0 339.417 1.721 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000277135280 273182690 /nfs/dbraw/zinc/18/26/90/273182690.db2.gz ZEUJAALYDKNANT-TZMCWYRMSA-N 1 0 341.433 1.782 20 5 EDBDRO C[C@H](CC[NH+](C)C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277646543 273214234 /nfs/dbraw/zinc/21/42/34/273214234.db2.gz DJXPJCGGCKYYQJ-SNVBAGLBSA-N 1 0 334.380 1.611 20 5 EDBDRO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000282449631 273653661 /nfs/dbraw/zinc/65/36/61/273653661.db2.gz SIYVKIMZJJDOMI-KWQFWETISA-N 1 0 340.767 1.443 20 5 EDBDRO CC[C@H](CO)[NH+]1CCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000360129933 273747341 /nfs/dbraw/zinc/74/73/41/273747341.db2.gz WFVWEITWZCNADE-CYBMUJFWSA-N 1 0 337.376 1.274 20 5 EDBDRO C[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284146971 274096170 /nfs/dbraw/zinc/09/61/70/274096170.db2.gz PBQDBOPVCYZOHM-FZMZJTMJSA-N 1 0 335.408 1.167 20 5 EDBDRO Cn1cc([C@@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@H]2[NH3+])cn1 ZINC000424413814 274894040 /nfs/dbraw/zinc/89/40/40/274894040.db2.gz PRRALBUGTLVELX-UONOGXRCSA-N 1 0 338.371 1.808 20 5 EDBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000368229083 274983501 /nfs/dbraw/zinc/98/35/01/274983501.db2.gz QZELHJJKXWBDFU-CQSZACIVSA-N 1 0 342.355 1.721 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1 ZINC000075889402 275037240 /nfs/dbraw/zinc/03/72/40/275037240.db2.gz KZWYKCNBSAUAAW-INIZCTEOSA-N 1 0 335.404 1.770 20 5 EDBDRO CC(C)[C@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000487064800 276032902 /nfs/dbraw/zinc/03/29/02/276032902.db2.gz PSYQBFJBDUZPBH-GFCCVEGCSA-N 1 0 342.421 1.019 20 5 EDBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285853268 287873542 /nfs/dbraw/zinc/87/35/42/287873542.db2.gz UNBRCOVURVQCCS-NSHDSACASA-N 1 0 344.375 1.668 20 5 EDBDRO CC[NH+]1CCN([C@@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000122979152 276199276 /nfs/dbraw/zinc/19/92/76/276199276.db2.gz UMJYYVSDJCELAI-GFCCVEGCSA-N 1 0 339.827 1.859 20 5 EDBDRO C[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]21 ZINC000153122084 277124877 /nfs/dbraw/zinc/12/48/77/277124877.db2.gz SQLZQLZURVOSTN-QWHCGFSZSA-N 1 0 331.332 1.164 20 5 EDBDRO C[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]21 ZINC000357631350 277124900 /nfs/dbraw/zinc/12/49/00/277124900.db2.gz SQLZQLZURVOSTN-CHWSQXEVSA-N 1 0 331.332 1.164 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000262710100 278453581 /nfs/dbraw/zinc/45/35/81/278453581.db2.gz CIYJLYQIZLVRFN-JSGCOSHPSA-N 1 0 332.404 1.923 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[NH+](C[C@H](C)O)CC1 ZINC000286784828 288086633 /nfs/dbraw/zinc/08/66/33/288086633.db2.gz JHFJNSKAYQUAGD-LBPRGKRZSA-N 1 0 337.376 1.193 20 5 EDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1 ZINC000286877838 288110490 /nfs/dbraw/zinc/11/04/90/288110490.db2.gz XLXXETPHDGBPAO-XZJROXQQSA-N 1 0 343.387 1.590 20 5 EDBDRO C[C@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000371878242 279514062 /nfs/dbraw/zinc/51/40/62/279514062.db2.gz JJKYHEPRKWUQDF-SMDDNHRTSA-N 1 0 329.360 1.784 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]([NH3+])C1CC1 ZINC000137499066 279588741 /nfs/dbraw/zinc/58/87/41/279588741.db2.gz OTSPEUCQOWLGEX-KWQFWETISA-N 1 0 327.768 1.869 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000237893341 279673758 /nfs/dbraw/zinc/67/37/58/279673758.db2.gz NNJPEMFUWCCOFD-UONOGXRCSA-N 1 0 332.404 1.761 20 5 EDBDRO C[C@H]1C[C@@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000262307778 279940424 /nfs/dbraw/zinc/94/04/24/279940424.db2.gz AZJXRFWOGGUMFO-KBPBESRZSA-N 1 0 332.404 1.632 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420769786 280259658 /nfs/dbraw/zinc/25/96/58/280259658.db2.gz PQZNXBDEFKQOKS-LBPRGKRZSA-N 1 0 327.406 1.618 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000291933738 289219396 /nfs/dbraw/zinc/21/93/96/289219396.db2.gz CHUJBMOVAGBXGQ-FZMZJTMJSA-N 1 0 326.356 1.967 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292067374 289253733 /nfs/dbraw/zinc/25/37/33/289253733.db2.gz WXPQFIVADGUEMT-QGZVFWFLSA-N 1 0 348.403 1.841 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]21 ZINC000408471887 290164257 /nfs/dbraw/zinc/16/42/57/290164257.db2.gz YDIFECCTPZIYMY-MFKMUULPSA-N 1 0 333.344 1.142 20 5 EDBDRO O=C1CCCN1CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000351490921 304625819 /nfs/dbraw/zinc/62/58/19/304625819.db2.gz GEAXVQUEKVCOFH-ZIAGYGMSSA-N 1 0 335.408 1.877 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000419758213 304680952 /nfs/dbraw/zinc/68/09/52/304680952.db2.gz JLMQEKJGWBPLHJ-TZMCWYRMSA-N 1 0 348.403 1.153 20 5 EDBDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000419809604 304687969 /nfs/dbraw/zinc/68/79/69/304687969.db2.gz KUAQSJHWTHUFKF-UHFFFAOYSA-N 1 0 340.767 1.397 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000420456059 301199763 /nfs/dbraw/zinc/19/97/63/301199763.db2.gz GLGGSJWUEORTDC-AWEZNQCLSA-N 1 0 341.433 1.878 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC000261880992 301426431 /nfs/dbraw/zinc/42/64/31/301426431.db2.gz MMUZJUUYVBESEA-OLZOCXBDSA-N 1 0 339.417 1.584 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420299742 304745742 /nfs/dbraw/zinc/74/57/42/304745742.db2.gz BPIMXLPYRUZPAT-OAHLLOKOSA-N 1 0 339.417 1.054 20 5 EDBDRO O=C(CN1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420314900 304750101 /nfs/dbraw/zinc/75/01/01/304750101.db2.gz LPKWSJBPXJXXOZ-MNOVXSKESA-N 1 0 338.795 1.728 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000375042365 302045266 /nfs/dbraw/zinc/04/52/66/302045266.db2.gz SHQCEVZKVLLZLB-GXTWGEPZSA-N 1 0 339.417 1.618 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294691470 303136602 /nfs/dbraw/zinc/13/66/02/303136602.db2.gz SLCAMJLMNQIMRF-CQSZACIVSA-N 1 0 349.387 1.395 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000295120731 303175766 /nfs/dbraw/zinc/17/57/66/303175766.db2.gz MIVGVKWSDFPCDZ-TVQRCGJNSA-N 1 0 337.351 1.955 20 5 EDBDRO COC[C@@]1(C(=O)OC)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295142933 303178982 /nfs/dbraw/zinc/17/89/82/303178982.db2.gz LFXIZBSPHUPCJE-GOEBONIOSA-N 1 0 338.360 1.140 20 5 EDBDRO O=[N+]([O-])c1cc(Br)cnc1NCC[NH+]1CCC(O)CC1 ZINC000295904749 303281964 /nfs/dbraw/zinc/28/19/64/303281964.db2.gz FIWZXQVWEGEYGH-UHFFFAOYSA-N 1 0 345.197 1.621 20 5 EDBDRO [NH3+]C[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCCC1 ZINC000192028573 303393581 /nfs/dbraw/zinc/39/35/81/303393581.db2.gz YISWIFJHKSXOJB-LLVKDONJSA-N 1 0 331.369 1.530 20 5 EDBDRO CCn1c(CC[NH3+])nnc1Sc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000297399713 303394914 /nfs/dbraw/zinc/39/49/14/303394914.db2.gz FPCREIUWLBNZMA-UHFFFAOYSA-N 1 0 333.377 1.735 20 5 EDBDRO Nc1nc(N2CC[NH+](CCc3cccs3)CC2)ncc1[N+](=O)[O-] ZINC000299174244 303591551 /nfs/dbraw/zinc/59/15/51/303591551.db2.gz ZUTQTWWLACEXMI-UHFFFAOYSA-N 1 0 334.405 1.393 20 5 EDBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000366462777 303660328 /nfs/dbraw/zinc/66/03/28/303660328.db2.gz PLQPGHOVJJVYFZ-IFXJQAMLSA-N 1 0 347.418 1.975 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301200263 303665853 /nfs/dbraw/zinc/66/58/53/303665853.db2.gz PYFPANHVZZAIEV-LLVKDONJSA-N 1 0 346.391 1.291 20 5 EDBDRO Cc1nn(C)c(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1[N+](=O)[O-] ZINC000301228155 303667488 /nfs/dbraw/zinc/66/74/88/303667488.db2.gz HIPTWTOTAUUZIB-LLVKDONJSA-N 1 0 325.413 1.166 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000357239416 303822159 /nfs/dbraw/zinc/82/21/59/303822159.db2.gz JRGYUQDGQCXRCJ-NEPJUHHUSA-N 1 0 329.360 1.780 20 5 EDBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CC[NH2+]C1 ZINC000420418359 304799136 /nfs/dbraw/zinc/79/91/36/304799136.db2.gz LTBFXPWEQNLKEG-MRVPVSSYSA-N 1 0 339.295 1.254 20 5 EDBDRO COC(=O)c1cc(C(=O)NCCC[C@@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000423711698 304905186 /nfs/dbraw/zinc/90/51/86/304905186.db2.gz ZYTJVFHMQBOKJD-ZDUSSCGKSA-N 1 0 335.360 1.643 20 5 EDBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000423989139 304922902 /nfs/dbraw/zinc/92/29/02/304922902.db2.gz YGOJWSCKYAYFLB-CQSZACIVSA-N 1 0 331.376 1.478 20 5 EDBDRO C[C@H]1C[C@@H](O)CC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000429141760 305024514 /nfs/dbraw/zinc/02/45/14/305024514.db2.gz MBDPEBAHLJYWDE-AAEUAGOBSA-N 1 0 335.360 1.738 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@@H](C[NH3+])C1 ZINC000430610698 305058771 /nfs/dbraw/zinc/05/87/71/305058771.db2.gz LKJYYLBNCBZVOI-NEPJUHHUSA-N 1 0 336.392 1.601 20 5 EDBDRO C[C@H]1CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H](C)[NH2+]1 ZINC000430927376 305068614 /nfs/dbraw/zinc/06/86/14/305068614.db2.gz IQKOJYHETMWYLJ-RYUDHWBXSA-N 1 0 334.376 1.575 20 5 EDBDRO COC[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCCO1 ZINC000432622531 305095213 /nfs/dbraw/zinc/09/52/13/305095213.db2.gz NQTWOPSREMDEEJ-JYJNAYRXSA-N 1 0 349.387 1.484 20 5 EDBDRO O=[N+]([O-])c1cnn(CCN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435617130 305143455 /nfs/dbraw/zinc/14/34/55/305143455.db2.gz MQAAOBKDQQUINN-INIZCTEOSA-N 1 0 344.419 1.831 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1CN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435629923 305144143 /nfs/dbraw/zinc/14/41/43/305144143.db2.gz VPEFNAZJFJFYDX-OAHLLOKOSA-N 1 0 344.419 1.868 20 5 EDBDRO COCC(C)(C)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000436100374 305152490 /nfs/dbraw/zinc/15/24/90/305152490.db2.gz NHRZTHGGXZEDTA-UHFFFAOYSA-N 1 0 325.321 1.277 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000439602332 305200944 /nfs/dbraw/zinc/20/09/44/305200944.db2.gz FTWKTGRUBXLFSZ-CQSZACIVSA-N 1 0 346.387 1.537 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000440429712 305206580 /nfs/dbraw/zinc/20/65/80/305206580.db2.gz CSBRNHLOTQAKDC-ZDUSSCGKSA-N 1 0 339.417 1.727 20 5 EDBDRO C[C@H](CC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447250836 305276206 /nfs/dbraw/zinc/27/62/06/305276206.db2.gz RXUVMBYAMCHOIB-SSDOTTSWSA-N 1 0 341.311 1.629 20 5 EDBDRO CC[C@@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H](C)O ZINC000449533628 305313062 /nfs/dbraw/zinc/31/30/62/305313062.db2.gz BJURRYCUBWZCJH-ZYHUDNBSSA-N 1 0 326.349 1.396 20 5 EDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000449601740 305315183 /nfs/dbraw/zinc/31/51/83/305315183.db2.gz NTPZPVDYWMJCTE-SFYZADRCSA-N 1 0 330.182 1.752 20 5 EDBDRO O=C1CNC(=O)N1CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546372 305352592 /nfs/dbraw/zinc/35/25/92/305352592.db2.gz JDPIIKOOWZGHCU-CYBMUJFWSA-N 1 0 332.360 1.326 20 5 EDBDRO CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451552649 305353095 /nfs/dbraw/zinc/35/30/95/305353095.db2.gz WWISWOYLYYXTHR-CQSZACIVSA-N 1 0 341.433 1.714 20 5 EDBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2COCC2(C)C)c([N+](=O)[O-])c1 ZINC000451808802 305370447 /nfs/dbraw/zinc/37/04/47/305370447.db2.gz KKCGPCRRZWRADE-AWEZNQCLSA-N 1 0 337.376 1.947 20 5 EDBDRO COc1c(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)cccc1[N+](=O)[O-] ZINC000452348773 305391061 /nfs/dbraw/zinc/39/10/61/305391061.db2.gz ANZJGVXROGITQY-GFCCVEGCSA-N 1 0 337.376 1.180 20 5 EDBDRO CC(C)(C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1ccccc1[N+](=O)[O-] ZINC000452376631 305395163 /nfs/dbraw/zinc/39/51/63/305395163.db2.gz LJXVGCLRIXYNBI-AWEZNQCLSA-N 1 0 349.431 1.835 20 5 EDBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])nn2C)ccc1OCC[NH+](C)C ZINC000458214501 305501747 /nfs/dbraw/zinc/50/17/47/305501747.db2.gz PAUNSZFCJLLHJZ-UHFFFAOYSA-N 1 0 347.375 1.829 20 5 EDBDRO C[C@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H]1[NH3+] ZINC000516970723 305745574 /nfs/dbraw/zinc/74/55/74/305745574.db2.gz BEDDRTDEXWIIHO-GXTWGEPZSA-N 1 0 332.404 1.617 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cncn1C ZINC000530354804 305938704 /nfs/dbraw/zinc/93/87/04/305938704.db2.gz DTUALFHOJNXWEC-LBPRGKRZSA-N 1 0 331.376 1.878 20 5 EDBDRO CCc1ccc([C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000548735648 306136334 /nfs/dbraw/zinc/13/63/34/306136334.db2.gz FMVHSIAKAYNQCJ-AWEZNQCLSA-N 1 0 331.376 1.913 20 5 EDBDRO C[C@H](C(=O)NCCN1CCC([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000555312975 306201184 /nfs/dbraw/zinc/20/11/84/306201184.db2.gz YBXNUEKGBWROFO-AWEZNQCLSA-N 1 0 348.447 1.841 20 5 EDBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000414950565 447371143 /nfs/dbraw/zinc/37/11/43/447371143.db2.gz OXCFKUUSTNMKTF-DTORHVGOSA-N 1 0 342.302 1.879 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](CO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000425987979 447373076 /nfs/dbraw/zinc/37/30/76/447373076.db2.gz DGFZPPAFZQYXJM-AAEUAGOBSA-N 1 0 338.360 1.349 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000044670125 440869820 /nfs/dbraw/zinc/86/98/20/440869820.db2.gz CBSVUSSXKIWWJL-AWEZNQCLSA-N 1 0 329.360 1.182 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000044685228 440871144 /nfs/dbraw/zinc/87/11/44/440871144.db2.gz MLFWYTPBBXAEOG-UHFFFAOYSA-N 1 0 343.387 1.526 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000046035165 441071616 /nfs/dbraw/zinc/07/16/16/441071616.db2.gz XZIYLJPWFHSFAF-GFCCVEGCSA-N 1 0 341.433 1.913 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000057554588 441122265 /nfs/dbraw/zinc/12/22/65/441122265.db2.gz MMVZBXSLENXLAR-GFCCVEGCSA-N 1 0 341.371 1.747 20 5 EDBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000060453437 441244032 /nfs/dbraw/zinc/24/40/32/441244032.db2.gz MEGADNUNECOVHO-CYBMUJFWSA-N 1 0 325.413 1.808 20 5 EDBDRO CC(C)[NH+](CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000048693179 441324975 /nfs/dbraw/zinc/32/49/75/441324975.db2.gz SHIMGMCRZCOGGN-UHFFFAOYSA-N 1 0 336.392 1.768 20 5 EDBDRO C[NH+](C)C1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000063734878 441348417 /nfs/dbraw/zinc/34/84/17/441348417.db2.gz BKSHMNXDUADURP-UHFFFAOYSA-N 1 0 343.387 1.947 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000073842147 441359253 /nfs/dbraw/zinc/35/92/53/441359253.db2.gz ZERPHXSZEJOJDE-LLVKDONJSA-N 1 0 325.390 1.357 20 5 EDBDRO C[C@H]1CN(C)c2ccccc2C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000083248694 441359947 /nfs/dbraw/zinc/35/99/47/441359947.db2.gz LTFLQNNGFNEERG-BBRMVZONSA-N 1 0 345.403 1.493 20 5 EDBDRO CCS(=O)(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000074337487 441423603 /nfs/dbraw/zinc/42/36/03/441423603.db2.gz VYNLUHSFLURZSN-UHFFFAOYSA-N 1 0 327.406 1.499 20 5 EDBDRO C[NH+](C)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1 ZINC000028813818 441438401 /nfs/dbraw/zinc/43/84/01/441438401.db2.gz AHOLCBNCIBOEKP-UHFFFAOYSA-N 1 0 330.344 1.275 20 5 EDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108297108 441441557 /nfs/dbraw/zinc/44/15/57/441441557.db2.gz SPMRYYNMONGWCL-AWEZNQCLSA-N 1 0 333.388 1.964 20 5 EDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000108329721 441446160 /nfs/dbraw/zinc/44/61/60/441446160.db2.gz ZBYANYDIBIEJCE-GFCCVEGCSA-N 1 0 344.375 1.247 20 5 EDBDRO C[NH+](C)Cc1cccc(CNC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000065777602 441484013 /nfs/dbraw/zinc/48/40/13/441484013.db2.gz BGCSNZURUKUHLD-UHFFFAOYSA-N 1 0 331.376 1.559 20 5 EDBDRO C[C@@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000088726317 441518203 /nfs/dbraw/zinc/51/82/03/441518203.db2.gz VQKLRGQXAUJEQC-VXGBXAGGSA-N 1 0 327.406 1.651 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)s1 ZINC000066333495 441520978 /nfs/dbraw/zinc/52/09/78/441520978.db2.gz VGZTVVINNMRGQY-NXEZZACHSA-N 1 0 331.419 1.561 20 5 EDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000066136891 441506101 /nfs/dbraw/zinc/50/61/01/441506101.db2.gz FRIKMYHXXKHDEJ-GFCCVEGCSA-N 1 0 336.392 1.171 20 5 EDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000109849348 441510327 /nfs/dbraw/zinc/51/03/27/441510327.db2.gz XMYKYGCERZREOY-LBPRGKRZSA-N 1 0 329.360 1.462 20 5 EDBDRO C[NH+]1CCN(c2ccc(CNc3ccncc3[N+](=O)[O-])cn2)CC1 ZINC000066797600 441569961 /nfs/dbraw/zinc/56/99/61/441569961.db2.gz OHYXHPYDXMOUDG-UHFFFAOYSA-N 1 0 328.376 1.749 20 5 EDBDRO Cc1c(C(=O)NCC[N@@H+](C)C2CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000066924339 441588499 /nfs/dbraw/zinc/58/84/99/441588499.db2.gz FDEDAAOVJHPYDG-UHFFFAOYSA-N 1 0 344.375 1.308 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000041597170 441661541 /nfs/dbraw/zinc/66/15/41/441661541.db2.gz UOQKFSJOLBHSLL-LBPRGKRZSA-N 1 0 334.376 1.442 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000067782225 441678945 /nfs/dbraw/zinc/67/89/45/441678945.db2.gz JGHLQKJGJKNZTI-LBPRGKRZSA-N 1 0 334.376 1.380 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000041890032 441682068 /nfs/dbraw/zinc/68/20/68/441682068.db2.gz GVYUOCHZSWDPSV-GFCCVEGCSA-N 1 0 346.387 1.442 20 5 EDBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000056168336 441693979 /nfs/dbraw/zinc/69/39/79/441693979.db2.gz WMIAXZTVWICULI-OCCSQVGLSA-N 1 0 344.375 1.138 20 5 EDBDRO COCCCNC(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000056307628 441701053 /nfs/dbraw/zinc/70/10/53/441701053.db2.gz ZAOIHFQCYNGQAH-UHFFFAOYSA-N 1 0 335.404 1.960 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000067703147 441668995 /nfs/dbraw/zinc/66/89/95/441668995.db2.gz CRZVHMCEUZNZCR-GFCCVEGCSA-N 1 0 342.359 1.142 20 5 EDBDRO O=C(CN1CC[NH+](CC2CC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000077196151 441731383 /nfs/dbraw/zinc/73/13/83/441731383.db2.gz GJDKGQLBVRQGPM-UHFFFAOYSA-N 1 0 344.415 1.512 20 5 EDBDRO CC(C)[N@H+](C)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000077125572 441719865 /nfs/dbraw/zinc/71/98/65/441719865.db2.gz LGBVTMAUUJDVEM-UHFFFAOYSA-N 1 0 348.403 1.219 20 5 EDBDRO C[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000068913292 441867214 /nfs/dbraw/zinc/86/72/14/441867214.db2.gz DFLHBUHIRHGXAH-SNVBAGLBSA-N 1 0 327.406 1.893 20 5 EDBDRO C[NH+]1CCC(O)(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000077660323 441825269 /nfs/dbraw/zinc/82/52/69/441825269.db2.gz SEOCFEFILLXYDP-UHFFFAOYSA-N 1 0 342.783 1.826 20 5 EDBDRO C[NH+]1CCC(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000043179877 441825518 /nfs/dbraw/zinc/82/55/18/441825518.db2.gz MFKQEWJTXSEJEO-UHFFFAOYSA-N 1 0 347.419 1.521 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159759268 441834848 /nfs/dbraw/zinc/83/48/48/441834848.db2.gz RNQOWFWYQMGXPZ-UHFFFAOYSA-N 1 0 335.408 1.480 20 5 EDBDRO CCc1ccc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000174232585 441905498 /nfs/dbraw/zinc/90/54/98/441905498.db2.gz HRVJQEPDVQWALK-ZDUSSCGKSA-N 1 0 334.420 1.523 20 5 EDBDRO CC[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000069126774 441895712 /nfs/dbraw/zinc/89/57/12/441895712.db2.gz CGHRXBDHRNUYBF-UHFFFAOYSA-N 1 0 337.376 1.583 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174183976 441899146 /nfs/dbraw/zinc/89/91/46/441899146.db2.gz HHWFZODNORRPOH-HNNXBMFYSA-N 1 0 346.387 1.759 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(C)C[C@H]1c1ccccc1 ZINC000160896904 441933436 /nfs/dbraw/zinc/93/34/36/441933436.db2.gz XKMVMQDJMUXTDZ-AWEZNQCLSA-N 1 0 329.360 1.457 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000161076466 441954146 /nfs/dbraw/zinc/95/41/46/441954146.db2.gz NNXACTXHAZUFAU-OLZOCXBDSA-N 1 0 329.360 1.780 20 5 EDBDRO C[N@H+](CCCN1CC[NH+](C)CC1)CCOc1cccc([N+](=O)[O-])c1 ZINC000174717476 441956780 /nfs/dbraw/zinc/95/67/80/441956780.db2.gz JLPYDAWTNRMTJB-UHFFFAOYSA-N 1 0 336.436 1.543 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000125169846 441992153 /nfs/dbraw/zinc/99/21/53/441992153.db2.gz OFMLARADHISNGA-JQWIXIFHSA-N 1 0 327.406 1.658 20 5 EDBDRO C[C@@H]1C[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000126257407 442093706 /nfs/dbraw/zinc/09/37/06/442093706.db2.gz XPYUMLFKJLWMLN-YPMHNXCESA-N 1 0 339.417 1.639 20 5 EDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000151725307 442111293 /nfs/dbraw/zinc/11/12/93/442111293.db2.gz VYBPKKHFBLIRGU-CYBMUJFWSA-N 1 0 339.417 1.499 20 5 EDBDRO O=C(N[C@H]1CC[NH2+]C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000126502364 442117844 /nfs/dbraw/zinc/11/78/44/442117844.db2.gz FBPOSHXLPFPYCJ-QMMMGPOBSA-N 1 0 333.266 1.628 20 5 EDBDRO CC(C)N(CC[NH+](C)C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000151775009 442118817 /nfs/dbraw/zinc/11/88/17/442118817.db2.gz ZAASFLDOGVMZQA-UHFFFAOYSA-N 1 0 327.356 1.911 20 5 EDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000120617915 442105969 /nfs/dbraw/zinc/10/59/69/442105969.db2.gz UXZRFJMRGOVHSJ-HNNXBMFYSA-N 1 0 341.433 1.749 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000080011708 442107369 /nfs/dbraw/zinc/10/73/69/442107369.db2.gz ZRLSDTZYNSQWHR-CYBMUJFWSA-N 1 0 338.408 1.923 20 5 EDBDRO CC(C)(C)OC(=O)NC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176210380 442191036 /nfs/dbraw/zinc/19/10/36/442191036.db2.gz WHIFBQBPTALAQD-UHFFFAOYSA-N 1 0 339.396 1.780 20 5 EDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H](O)COCc1ccccc1 ZINC000176240785 442198023 /nfs/dbraw/zinc/19/80/23/442198023.db2.gz FBHHTKORGZHSMM-HNNXBMFYSA-N 1 0 334.376 1.301 20 5 EDBDRO C[NH+](C)CC(=O)N1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163310015 442157574 /nfs/dbraw/zinc/15/75/74/442157574.db2.gz FZOZODCTHDPXJM-UHFFFAOYSA-N 1 0 340.811 1.454 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC1CC[NH+](C)CC1 ZINC000120956958 442157660 /nfs/dbraw/zinc/15/76/60/442157660.db2.gz IWYFHBQAKGRZFD-UHFFFAOYSA-N 1 0 341.433 1.913 20 5 EDBDRO C[NH+](C)C1CCN(CCNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000177136236 442303323 /nfs/dbraw/zinc/30/33/23/442303323.db2.gz LUJYRMHHOCIDAD-UHFFFAOYSA-N 1 0 349.435 1.149 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000171453210 442349586 /nfs/dbraw/zinc/34/95/86/442349586.db2.gz QVFGYIYRRDRJMK-ZDUSSCGKSA-N 1 0 349.387 1.679 20 5 EDBDRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000171752071 442377226 /nfs/dbraw/zinc/37/72/26/442377226.db2.gz NGMFMRNCOTWMQG-ZDUSSCGKSA-N 1 0 329.360 1.311 20 5 EDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000155419377 442397155 /nfs/dbraw/zinc/39/71/55/442397155.db2.gz XSCGBLDUTYBLJK-YPMHNXCESA-N 1 0 336.392 1.203 20 5 EDBDRO COCC[C@](C)(O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000172069820 442405967 /nfs/dbraw/zinc/40/59/67/442405967.db2.gz LOKHSTAPIDKLII-KRWDZBQOSA-N 1 0 348.403 1.872 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178087720 442406887 /nfs/dbraw/zinc/40/68/87/442406887.db2.gz AVOGUYAVAADIJA-ZDUSSCGKSA-N 1 0 349.387 1.398 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000156081578 442446032 /nfs/dbraw/zinc/44/60/32/442446032.db2.gz XMWPVOHEXJMVRA-CYBMUJFWSA-N 1 0 349.435 1.908 20 5 EDBDRO COc1ccc(CSCC(=O)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000178719412 442462388 /nfs/dbraw/zinc/46/23/88/442462388.db2.gz VCYSKADZQGTRSO-GFCCVEGCSA-N 1 0 339.417 1.705 20 5 EDBDRO CCOC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])cc2C)CC[NH+](C)CC1 ZINC000134329315 442470054 /nfs/dbraw/zinc/47/00/54/442470054.db2.gz IHNBCXXFPTVMAE-UHFFFAOYSA-N 1 0 349.387 1.661 20 5 EDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1Br ZINC000178753403 442475655 /nfs/dbraw/zinc/47/56/55/442475655.db2.gz CYPRVUQLUZYGIX-QMMMGPOBSA-N 1 0 328.166 1.839 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000134408634 442478890 /nfs/dbraw/zinc/47/88/90/442478890.db2.gz CMZFRKGEOUAFRC-AWEZNQCLSA-N 1 0 339.392 1.881 20 5 EDBDRO C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@H](c1ccccc1)[NH+](C)C ZINC000186473842 442541531 /nfs/dbraw/zinc/54/15/31/442541531.db2.gz VKKUJBVMHPBAHT-BXUZGUMPSA-N 1 0 331.376 1.750 20 5 EDBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000156710168 442511933 /nfs/dbraw/zinc/51/19/33/442511933.db2.gz RDILJSLMHLKRRI-OCCSQVGLSA-N 1 0 348.403 1.722 20 5 EDBDRO COc1cc(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000178924319 442526809 /nfs/dbraw/zinc/52/68/09/442526809.db2.gz AWJXYVGUUDPVMU-SNVBAGLBSA-N 1 0 343.405 1.351 20 5 EDBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135537250 442609086 /nfs/dbraw/zinc/60/90/86/442609086.db2.gz WUDLSJMMHVOSDS-DZGCQCFKSA-N 1 0 347.419 1.877 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173271154 442637703 /nfs/dbraw/zinc/63/77/03/442637703.db2.gz RKADPCRHNFXHJJ-AWEZNQCLSA-N 1 0 335.408 1.562 20 5 EDBDRO NC(=O)C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000182021284 442729071 /nfs/dbraw/zinc/72/90/71/442729071.db2.gz UIYXLRVFIHHGEE-AWEZNQCLSA-N 1 0 348.403 1.947 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC2(C)CC[NH2+]CC2)c1C ZINC000193376853 442737381 /nfs/dbraw/zinc/73/73/81/442737381.db2.gz PUKLZKFEYUCSIA-UHFFFAOYSA-N 1 0 341.433 1.880 20 5 EDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000193496561 442748830 /nfs/dbraw/zinc/74/88/30/442748830.db2.gz QPLQTLYRLVHXTR-DGCLKSJQSA-N 1 0 329.360 1.651 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000193505552 442749065 /nfs/dbraw/zinc/74/90/65/442749065.db2.gz SKHJQCGMQGCKNH-ZANVPECISA-N 1 0 330.344 1.307 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000265514329 442804182 /nfs/dbraw/zinc/80/41/82/442804182.db2.gz GPUNKCQZHCAXMM-GXTWGEPZSA-N 1 0 336.392 1.676 20 5 EDBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000193606511 442758824 /nfs/dbraw/zinc/75/88/24/442758824.db2.gz HGAGICKFEPXMDH-ZDUSSCGKSA-N 1 0 334.376 1.786 20 5 EDBDRO C[N@H+](CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000193672542 442766194 /nfs/dbraw/zinc/76/61/94/442766194.db2.gz KFTPXZSODVRJAQ-UHFFFAOYSA-N 1 0 348.334 1.696 20 5 EDBDRO COc1cc(C(=O)N2CC[NH+]3CCC2CC3)c([N+](=O)[O-])cc1OC ZINC000188828066 442822402 /nfs/dbraw/zinc/82/24/02/442822402.db2.gz MWDLQJRHUPEPJZ-UHFFFAOYSA-N 1 0 335.360 1.532 20 5 EDBDRO O=C(CCN1CC[NH+](C2CC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000188888020 442836555 /nfs/dbraw/zinc/83/65/55/442836555.db2.gz XQFBMBXKQLJZQH-UHFFFAOYSA-N 1 0 336.367 1.843 20 5 EDBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000268086906 442841617 /nfs/dbraw/zinc/84/16/17/442841617.db2.gz AVZRMVDIGGZMDA-WCQYABFASA-N 1 0 349.387 1.825 20 5 EDBDRO COc1cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000268143553 442867810 /nfs/dbraw/zinc/86/78/10/442867810.db2.gz DREXWJNKQSZFNG-GWCFXTLKSA-N 1 0 349.387 1.825 20 5 EDBDRO CC[C@H](CO)[NH+]1CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000183378613 442925991 /nfs/dbraw/zinc/92/59/91/442925991.db2.gz IPVHLRINGALKNY-WCRPCQDQSA-N 1 0 347.415 1.913 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCCC[C@H]1CCC[NH2+]1 ZINC000294829280 318624005 /nfs/dbraw/zinc/62/40/05/318624005.db2.gz LJEBOKYVYSZDBR-LLVKDONJSA-N 1 0 325.340 1.761 20 5 EDBDRO CN([C@H]1CCCN(C)C1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000266150463 443035661 /nfs/dbraw/zinc/03/56/61/443035661.db2.gz FNBPHZUVRYNRTP-JTQLQIEISA-N 1 0 331.369 1.449 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000266158697 443038896 /nfs/dbraw/zinc/03/88/96/443038896.db2.gz IJSOIKHPVMNKEP-IAQYHMDHSA-N 1 0 349.387 1.794 20 5 EDBDRO O=C1CC[C@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CCN1 ZINC000296521155 318704650 /nfs/dbraw/zinc/70/46/50/318704650.db2.gz MQMPXYAYQUWAMB-AWEZNQCLSA-N 1 0 332.404 1.633 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCOCC3)C2)c2nonc21 ZINC000266308089 443092732 /nfs/dbraw/zinc/09/27/32/443092732.db2.gz ZPTNHIQSXHUBQT-LLVKDONJSA-N 1 0 333.348 1.290 20 5 EDBDRO CC[NH+]1CCN([C@H](C)CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000255440376 443098940 /nfs/dbraw/zinc/09/89/40/443098940.db2.gz KRKXXQKAUKNKFM-WUKHSURWSA-N 1 0 346.431 1.750 20 5 EDBDRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000184821913 443081427 /nfs/dbraw/zinc/08/14/27/443081427.db2.gz FJENLDNJSKFKCA-RYUDHWBXSA-N 1 0 334.376 1.557 20 5 EDBDRO COC(=O)C1=NOC2(C1)CC[NH+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000185093140 443134418 /nfs/dbraw/zinc/13/44/18/443134418.db2.gz BZVVRTUSIOFLLH-UHFFFAOYSA-N 1 0 333.344 1.879 20 5 EDBDRO CCCC[C@H](COC)[NH2+][C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000268878645 443135245 /nfs/dbraw/zinc/13/52/45/443135245.db2.gz HSBJJDRNZYPNCY-KBMXLJTQSA-N 1 0 326.393 1.784 20 5 EDBDRO CC(=O)N1CCN(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000268831010 443120779 /nfs/dbraw/zinc/12/07/79/443120779.db2.gz QWTJRLWRPCMUIN-CQSZACIVSA-N 1 0 334.420 1.718 20 5 EDBDRO CS(=O)(=O)CCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268835240 443123155 /nfs/dbraw/zinc/12/31/55/443123155.db2.gz DDSGRBVOTURYOB-AWEZNQCLSA-N 1 0 326.418 1.940 20 5 EDBDRO [NH3+][C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000261945438 443175789 /nfs/dbraw/zinc/17/57/89/443175789.db2.gz OHUSHXAVPBJWSL-GFCCVEGCSA-N 1 0 342.193 1.753 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000266538140 443161507 /nfs/dbraw/zinc/16/15/07/443161507.db2.gz OXVJACBGBGBUQT-NVXWUHKLSA-N 1 0 330.388 1.717 20 5 EDBDRO CN1CCO[C@@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)C1 ZINC000351220524 319096857 /nfs/dbraw/zinc/09/68/57/319096857.db2.gz MJUCCCSZGRZWMZ-CYBMUJFWSA-N 1 0 333.348 1.636 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1C ZINC000382485788 319123930 /nfs/dbraw/zinc/12/39/30/319123930.db2.gz GPCVJWONYMUOQT-VXGBXAGGSA-N 1 0 327.406 1.617 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1C ZINC000382485786 319123984 /nfs/dbraw/zinc/12/39/84/319123984.db2.gz GPCVJWONYMUOQT-NWDGAFQWSA-N 1 0 327.406 1.617 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([NH+]3CCCC3)CC2)n1 ZINC000384481230 319127251 /nfs/dbraw/zinc/12/72/51/319127251.db2.gz PYUTUDYMWJFPMJ-UHFFFAOYSA-N 1 0 334.376 1.841 20 5 EDBDRO COC(=O)[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000411922863 319214333 /nfs/dbraw/zinc/21/43/33/319214333.db2.gz VJCJHLQGYZEEMI-NSHDSACASA-N 1 0 341.795 1.785 20 5 EDBDRO C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000411984873 319217903 /nfs/dbraw/zinc/21/79/03/319217903.db2.gz NVLYLNKNHSTLOC-OAHLLOKOSA-N 1 0 329.404 1.998 20 5 EDBDRO CC[NH+]1CCN(C[C@@H](C)CNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413078518 319263618 /nfs/dbraw/zinc/26/36/18/319263618.db2.gz NFGAFAXURTZTPH-LBPRGKRZSA-N 1 0 325.388 1.814 20 5 EDBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C ZINC000414062936 319314708 /nfs/dbraw/zinc/31/47/08/319314708.db2.gz CGJILHWOUOYFDQ-UHIISALHSA-N 1 0 327.406 1.507 20 5 EDBDRO CC(C)(C)c1ccc(NC(=O)C(=O)NC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000415381301 319362864 /nfs/dbraw/zinc/36/28/64/319362864.db2.gz NLCDONARXQPIGD-UHFFFAOYSA-N 1 0 336.392 1.684 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CCCC[NH3+] ZINC000415740159 319368860 /nfs/dbraw/zinc/36/88/60/319368860.db2.gz IKDCDOAOMVFFDF-LLVKDONJSA-N 1 0 336.392 1.729 20 5 EDBDRO C[C@@]1(C(N)=O)CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000185880499 443275599 /nfs/dbraw/zinc/27/55/99/443275599.db2.gz QWNJAMZAVUORTA-BBRMVZONSA-N 1 0 337.376 1.064 20 5 EDBDRO CC(C)[C@@H]([NH3+])CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000269284205 443266591 /nfs/dbraw/zinc/26/65/91/443266591.db2.gz RQKLXJXSVVTEKQ-JTQLQIEISA-N 1 0 342.783 1.078 20 5 EDBDRO O=[N+]([O-])c1cccc(OCCN2CC[NH+](C3CCOCC3)CC2)c1 ZINC000267013941 443313729 /nfs/dbraw/zinc/31/37/29/443313729.db2.gz IMXCNWKBNNHROS-UHFFFAOYSA-N 1 0 335.404 1.770 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272447522 443320611 /nfs/dbraw/zinc/32/06/11/443320611.db2.gz MBWSUMJEPNDUCX-UKRRQHHQSA-N 1 0 348.403 1.839 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000264545678 443321266 /nfs/dbraw/zinc/32/12/66/443321266.db2.gz BQFUYPDLNJUFAI-AWEZNQCLSA-N 1 0 339.417 1.844 20 5 EDBDRO CCCCC[N@@H+](CC(N)=O)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000272479094 443333210 /nfs/dbraw/zinc/33/32/10/443333210.db2.gz AWCBEFGKUOUUMH-CQSZACIVSA-N 1 0 339.392 1.312 20 5 EDBDRO Cc1cc(C(=O)NC[C@]2([NH+](C)C)CCSC2)c(N)c([N+](=O)[O-])c1 ZINC000267100320 443341451 /nfs/dbraw/zinc/34/14/51/443341451.db2.gz KPONRJYJBRRWJQ-OAHLLOKOSA-N 1 0 338.433 1.653 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000278520287 443350831 /nfs/dbraw/zinc/35/08/31/443350831.db2.gz PZUKEKDPIWDOMV-LLVKDONJSA-N 1 0 339.417 1.982 20 5 EDBDRO C[N@H+]1C[C@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000278738462 443420270 /nfs/dbraw/zinc/42/02/70/443420270.db2.gz LOJHJINNYRRHKJ-BETUJISGSA-N 1 0 330.388 1.485 20 5 EDBDRO C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000420428965 319617251 /nfs/dbraw/zinc/61/72/51/319617251.db2.gz ZAKQNFOGKYDFNB-NXEZZACHSA-N 1 0 347.824 1.996 20 5 EDBDRO C[C@@H](Cn1cccn1)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000265075426 443525074 /nfs/dbraw/zinc/52/50/74/443525074.db2.gz OUNYIQVZCPBVRP-JTQLQIEISA-N 1 0 347.331 1.137 20 5 EDBDRO CC[C@@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000273450530 443574484 /nfs/dbraw/zinc/57/44/84/443574484.db2.gz FWDLDWFNVKIGCG-NSHDSACASA-N 1 0 342.421 1.529 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC([NH2+]C)CC1 ZINC000429405935 319928137 /nfs/dbraw/zinc/92/81/37/319928137.db2.gz OEEOBGIEUDXNIM-GFCCVEGCSA-N 1 0 338.412 1.038 20 5 EDBDRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000276175647 443662381 /nfs/dbraw/zinc/66/23/81/443662381.db2.gz IBBNJAWPUFSUSN-ZDUSSCGKSA-N 1 0 349.387 1.153 20 5 EDBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000441352998 320094189 /nfs/dbraw/zinc/09/41/89/320094189.db2.gz FZYVXURNIDDSCD-QMTHXVAHSA-N 1 0 348.359 1.007 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000442001845 320105085 /nfs/dbraw/zinc/10/50/85/320105085.db2.gz LPMIHTHTBRMDSD-LBPRGKRZSA-N 1 0 332.360 1.195 20 5 EDBDRO C[C@H]1CC[N@H+](C)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443768409 320112977 /nfs/dbraw/zinc/11/29/77/320112977.db2.gz FJWQFWRKLMWNEG-LBPRGKRZSA-N 1 0 327.406 1.451 20 5 EDBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCC[C@H]1CCC[NH2+]1 ZINC000444260147 320122945 /nfs/dbraw/zinc/12/29/45/320122945.db2.gz QBRLBQYJPZKBOI-GFCCVEGCSA-N 1 0 335.360 1.167 20 5 EDBDRO Cc1sc(C(=O)N2CCC([N@@H+](C)C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000444366879 320127943 /nfs/dbraw/zinc/12/79/43/320127943.db2.gz PYNQKJDFIWNMIN-JTQLQIEISA-N 1 0 341.433 1.882 20 5 EDBDRO CC(C)[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000449193304 320177799 /nfs/dbraw/zinc/17/77/99/320177799.db2.gz ZZMOSNVHBCIVOU-WMLDXEAASA-N 1 0 349.431 1.999 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H](O)[C@H]2C)cc1[N+](=O)[O-] ZINC000449472351 320192060 /nfs/dbraw/zinc/19/20/60/320192060.db2.gz PKTZDLGZAPOVKP-RISCZKNCSA-N 1 0 338.360 1.492 20 5 EDBDRO COc1cc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000449645603 320196730 /nfs/dbraw/zinc/19/67/30/320196730.db2.gz MCUGDCFLUNXPGC-ZYHUDNBSSA-N 1 0 337.376 1.859 20 5 EDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449740720 320203503 /nfs/dbraw/zinc/20/35/03/320203503.db2.gz HHMLVAJIIVMIEA-BREBYQMCSA-N 1 0 339.779 1.836 20 5 EDBDRO CO[C@H]1C[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000488553270 320358561 /nfs/dbraw/zinc/35/85/61/320358561.db2.gz DLVOTRPWKVTIML-HOTGVXAUSA-N 1 0 346.387 1.841 20 5 EDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492742567 320384524 /nfs/dbraw/zinc/38/45/24/320384524.db2.gz XJYHKWHKOHFISD-DANTVBBOSA-N 1 0 347.415 1.912 20 5 EDBDRO COC(=O)c1cc(C(=O)N(C)C2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000298201748 443719131 /nfs/dbraw/zinc/71/91/31/443719131.db2.gz HZJJOTQJYGIKMM-UHFFFAOYSA-N 1 0 335.360 1.548 20 5 EDBDRO CN1CCO[C@@H]2CC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000284956978 443798142 /nfs/dbraw/zinc/79/81/42/443798142.db2.gz XEBZTTAQRTXZND-DLBZAZTESA-N 1 0 335.404 1.769 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000285310891 443937277 /nfs/dbraw/zinc/93/72/77/443937277.db2.gz QMFNQTBZPCUTGK-BUWFCSEKSA-N 1 0 331.372 1.540 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1CCN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293084607 443921085 /nfs/dbraw/zinc/92/10/85/443921085.db2.gz JYMLSKAXYAYSKK-OAHLLOKOSA-N 1 0 346.431 1.837 20 5 EDBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCn1cc([N+](=O)[O-])ccc1=O ZINC000285428359 443981142 /nfs/dbraw/zinc/98/11/42/443981142.db2.gz WJSBJLDBKQRONI-UHFFFAOYSA-N 1 0 346.343 1.839 20 5 EDBDRO COc1cc(C(=O)N2CCC[C@@H](CC[NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000281895893 444034445 /nfs/dbraw/zinc/03/44/45/444034445.db2.gz HMOAWSZBSCYCFG-NSHDSACASA-N 1 0 337.376 1.813 20 5 EDBDRO C[C@@H](C(=O)NCCC[NH+]1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000562400430 321055656 /nfs/dbraw/zinc/05/56/56/321055656.db2.gz XLVNPQPAHRDLBC-CYBMUJFWSA-N 1 0 335.404 1.661 20 5 EDBDRO CCOc1cc(C(=O)N[C@@H](C)CCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000565539225 321190232 /nfs/dbraw/zinc/19/02/32/321190232.db2.gz SAYMTAJZRULKJR-JTQLQIEISA-N 1 0 325.365 1.859 20 5 EDBDRO O=C1[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]2CCCCN12 ZINC000565653544 321195148 /nfs/dbraw/zinc/19/51/48/321195148.db2.gz FLHCQMRHGVDYQK-MELADBBJSA-N 1 0 349.387 1.078 20 5 EDBDRO COc1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)nc1 ZINC000566123580 321218495 /nfs/dbraw/zinc/21/84/95/321218495.db2.gz MGIGMJONYLZQRU-AWEZNQCLSA-N 1 0 333.344 1.528 20 5 EDBDRO CC(C)N1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000567581855 321246711 /nfs/dbraw/zinc/24/67/11/321246711.db2.gz SCUKJQNTSFMRJI-ZDUSSCGKSA-N 1 0 334.376 1.522 20 5 EDBDRO COCC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000567888208 321265715 /nfs/dbraw/zinc/26/57/15/321265715.db2.gz GNKSJRXAOBUFIE-NFAWXSAZSA-N 1 0 326.397 1.652 20 5 EDBDRO O=C(CCN1CC[NH2+]C[C@@H]1C(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000567889290 321265969 /nfs/dbraw/zinc/26/59/69/321265969.db2.gz IYIXQVAYOSODKG-GFCCVEGCSA-N 1 0 328.319 1.462 20 5 EDBDRO CC(C)Oc1nc(N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000568781994 321306839 /nfs/dbraw/zinc/30/68/39/321306839.db2.gz DGSYWNJFBLOXIM-OLZOCXBDSA-N 1 0 338.408 1.668 20 5 EDBDRO COC(=O)[C@@H]1CN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000568970621 321312545 /nfs/dbraw/zinc/31/25/45/321312545.db2.gz PLAYAILQZOWDOF-JSGCOSHPSA-N 1 0 349.387 1.262 20 5 EDBDRO COc1ccc(CC(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000571550877 321391602 /nfs/dbraw/zinc/39/16/02/321391602.db2.gz IWCCMKHUTIZGLA-OLZOCXBDSA-N 1 0 337.376 1.111 20 5 EDBDRO O=C(CCC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000294684956 444136369 /nfs/dbraw/zinc/13/63/69/444136369.db2.gz SCJHJBSXYKHCRW-HNNXBMFYSA-N 1 0 331.372 1.864 20 5 EDBDRO Cn1cc(C[N@@H+]2CCCN(c3cc(CO)ccc3[N+](=O)[O-])CC2)cn1 ZINC000302041470 444201649 /nfs/dbraw/zinc/20/16/49/444201649.db2.gz NTJVKQGEGOGHNE-UHFFFAOYSA-N 1 0 345.403 1.533 20 5 EDBDRO C[C@H]([NH2+]CC(=O)N1CCC2(CC1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000296840509 444258145 /nfs/dbraw/zinc/25/81/45/444258145.db2.gz XEBMZXRXZGFECT-ZDUSSCGKSA-N 1 0 349.387 1.611 20 5 EDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCSCCCO)n1 ZINC000576784751 321595947 /nfs/dbraw/zinc/59/59/47/321595947.db2.gz QVGIVONXKTYGID-OLZOCXBDSA-N 1 0 328.438 1.980 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000577492660 321657528 /nfs/dbraw/zinc/65/75/28/321657528.db2.gz MYFXGIRTWCQCOC-GWCFXTLKSA-N 1 0 327.406 1.434 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000317565394 444316474 /nfs/dbraw/zinc/31/64/74/444316474.db2.gz KWTMZVUVEJYWFV-VXGBXAGGSA-N 1 0 327.406 1.651 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)[C@@H](C)OC ZINC000290481905 444286569 /nfs/dbraw/zinc/28/65/69/444286569.db2.gz HHKGCJQFKMNSQG-GMTAPVOTSA-N 1 0 325.365 1.943 20 5 EDBDRO [NH3+]C1CCC(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000325079133 444361581 /nfs/dbraw/zinc/36/15/81/444361581.db2.gz HYTTYBFVWNGPPC-UHFFFAOYSA-N 1 0 332.404 1.761 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1CO ZINC000297766414 444331067 /nfs/dbraw/zinc/33/10/67/444331067.db2.gz FVRBPOAYYDZCEV-ZDUSSCGKSA-N 1 0 337.376 1.779 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000321585259 444336342 /nfs/dbraw/zinc/33/63/42/444336342.db2.gz IOYLFZMBJKHVPV-CABCVRRESA-N 1 0 339.417 1.890 20 5 EDBDRO CC(C)[NH+]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000331159958 444424312 /nfs/dbraw/zinc/42/43/12/444424312.db2.gz WSRHEQYLUGSJGV-UHFFFAOYSA-N 1 0 327.331 1.968 20 5 EDBDRO Cc1c(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000331192483 444437864 /nfs/dbraw/zinc/43/78/64/444437864.db2.gz QKTDIVXOGCGESK-ZIAGYGMSSA-N 1 0 341.433 1.853 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCCN2C2CC2)c1 ZINC000580315648 322036014 /nfs/dbraw/zinc/03/60/14/322036014.db2.gz GQRSWAUYMQNINF-SJORKVTESA-N 1 0 349.431 1.941 20 5 EDBDRO COC[C@@H](C)C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000580549044 322065414 /nfs/dbraw/zinc/06/54/14/322065414.db2.gz JWAKZYJLRIOCSN-LBPRGKRZSA-N 1 0 345.421 1.087 20 5 EDBDRO C[C@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000580808383 322096882 /nfs/dbraw/zinc/09/68/82/322096882.db2.gz FRQRLDJYDOQFLW-GJZGRUSLSA-N 1 0 347.415 1.879 20 5 EDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342153937 444538011 /nfs/dbraw/zinc/53/80/11/444538011.db2.gz ISAMWGACZCAKCZ-XJFOESAGSA-N 1 0 332.404 1.981 20 5 EDBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1O ZINC000341046533 444651832 /nfs/dbraw/zinc/65/18/32/444651832.db2.gz MIKKSNOUOMQQBR-NHYWBVRUSA-N 1 0 337.376 1.635 20 5 EDBDRO CC1(C)NC(=O)CC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000338600386 444769037 /nfs/dbraw/zinc/76/90/37/444769037.db2.gz UGWUHUCDCXHYOV-CYBMUJFWSA-N 1 0 334.376 1.570 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000341316303 444776294 /nfs/dbraw/zinc/77/62/94/444776294.db2.gz JBOQJENZCSFBFL-BLLLJJGKSA-N 1 0 332.404 1.919 20 5 EDBDRO CNS(=O)(=O)c1ccc(N2C[C@@H](C)[NH+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000338793939 444854547 /nfs/dbraw/zinc/85/45/47/444854547.db2.gz KJWJUTKHRQSVPW-GHMZBOCLSA-N 1 0 342.421 1.032 20 5 EDBDRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000344441008 444973640 /nfs/dbraw/zinc/97/36/40/444973640.db2.gz PMTLACSAQFCHMP-MRXNPFEDSA-N 1 0 349.435 1.221 20 5 EDBDRO CC[NH+](CC)CC1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000330703899 445104040 /nfs/dbraw/zinc/10/40/40/445104040.db2.gz QNSJEWFZDLVLJG-UHFFFAOYSA-N 1 0 337.424 1.831 20 5 EDBDRO C[C@H]1[C@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCC[N@@H+]1C ZINC000343425563 445220374 /nfs/dbraw/zinc/22/03/74/445220374.db2.gz DWSMOGSXOKQGST-SMDDNHRTSA-N 1 0 344.375 1.388 20 5 EDBDRO Cc1nn(C)c(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC000343454172 445225839 /nfs/dbraw/zinc/22/58/39/445225839.db2.gz ICYRWJAMMDEXQI-ZETCQYMHSA-N 1 0 336.377 1.162 20 5 EDBDRO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CCC[N@@H+]1C ZINC000343488952 445232912 /nfs/dbraw/zinc/23/29/12/445232912.db2.gz ZMMAHJLRSTWWQU-ONGXEEELSA-N 1 0 328.394 1.137 20 5 EDBDRO C[C@@H]1CC[N@H+](C)CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000354499650 445265165 /nfs/dbraw/zinc/26/51/65/445265165.db2.gz RPVPRWXKHBMSHP-GFCCVEGCSA-N 1 0 327.406 1.451 20 5 EDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1C[C@@H](F)CN1c1ccncn1 ZINC000348183654 445308662 /nfs/dbraw/zinc/30/86/62/445308662.db2.gz SXWGWRXBPQSHLB-CHWSQXEVSA-N 1 0 349.370 1.130 20 5 EDBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000351730274 445297179 /nfs/dbraw/zinc/29/71/79/445297179.db2.gz KRMCGPRMOOPPSR-LBPRGKRZSA-N 1 0 335.408 1.812 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](O)CC2)cc1[N+](=O)[O-] ZINC000354747176 445363015 /nfs/dbraw/zinc/36/30/15/445363015.db2.gz NGVZECLWJARCEY-CYBMUJFWSA-N 1 0 338.360 1.493 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C[C@@H]1[NH+](C)C ZINC000359770415 445417868 /nfs/dbraw/zinc/41/78/68/445417868.db2.gz ARWRVJJDWMAGKM-ABAIWWIYSA-N 1 0 344.375 1.198 20 5 EDBDRO Cn1nccc1N1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000359809915 445440211 /nfs/dbraw/zinc/44/02/11/445440211.db2.gz UHJSNMDBPLHYTP-AWEZNQCLSA-N 1 0 329.360 1.614 20 5 EDBDRO Cc1c(Br)c(N2C[C@H](O)[C@@H]([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000359980982 445513096 /nfs/dbraw/zinc/51/30/96/445513096.db2.gz JDMJXLMSTMBTCV-UWVGGRQHSA-N 1 0 345.197 1.172 20 5 EDBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)C(C)C ZINC000357238191 445499846 /nfs/dbraw/zinc/49/98/46/445499846.db2.gz MPGYXYQDMIMQRY-UHFFFAOYSA-N 1 0 330.410 1.384 20 5 EDBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000362818855 445564392 /nfs/dbraw/zinc/56/43/92/445564392.db2.gz WNIBAQAVGOODDD-MBNYWOFBSA-N 1 0 333.392 1.200 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000363165273 445704796 /nfs/dbraw/zinc/70/47/96/445704796.db2.gz BHFPKAQGIHATRK-PVAVHDDUSA-N 1 0 347.415 1.847 20 5 EDBDRO C[NH+](C)CCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC1 ZINC000356292610 445721578 /nfs/dbraw/zinc/72/15/78/445721578.db2.gz QTEWSDHFPZDJRB-UHFFFAOYSA-N 1 0 343.387 1.947 20 5 EDBDRO COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CC[NH3+])cc1OC ZINC000349933909 445725840 /nfs/dbraw/zinc/72/58/40/445725840.db2.gz FXPZGNYHKAMBOQ-SNVBAGLBSA-N 1 0 341.364 1.096 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000353741723 445734769 /nfs/dbraw/zinc/73/47/69/445734769.db2.gz VAWXAUBILKLOJZ-CYBMUJFWSA-N 1 0 338.360 1.805 20 5 EDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000354006237 445851139 /nfs/dbraw/zinc/85/11/39/445851139.db2.gz LIAJZEPKIUUDOH-CYBMUJFWSA-N 1 0 343.387 1.947 20 5 EDBDRO O=C1[C@H]([N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)CCN1c1cccc([N+](=O)[O-])c1 ZINC000361754380 445918109 /nfs/dbraw/zinc/91/81/09/445918109.db2.gz GATFNLVMBIRMDW-RIRPEUGRSA-N 1 0 345.399 1.793 20 5 EDBDRO Cc1ccncc1C1=CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000372923182 445923341 /nfs/dbraw/zinc/92/33/41/445923341.db2.gz CSESACHRVOGPNO-MRXNPFEDSA-N 1 0 343.387 1.645 20 5 EDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])nn1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000356736052 445978428 /nfs/dbraw/zinc/97/84/28/445978428.db2.gz ACVVXHMLVVUQNP-VXGBXAGGSA-N 1 0 335.408 1.711 20 5 EDBDRO CN(CC(=O)N1CCC(C[NH+](C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000361793772 445951243 /nfs/dbraw/zinc/95/12/43/445951243.db2.gz CRZZCMQUPPODBE-UHFFFAOYSA-N 1 0 334.420 1.831 20 5 EDBDRO CC(C)C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000583495674 326083670 /nfs/dbraw/zinc/08/36/70/326083670.db2.gz PGIDRUCQOJYVEP-BPLDGKMQSA-N 1 0 326.397 1.336 20 5 EDBDRO Cc1cc(S(=O)(=O)NCCc2cncn2C)c(C)cc1[N+](=O)[O-] ZINC000584278990 326233466 /nfs/dbraw/zinc/23/34/66/326233466.db2.gz ATHUGOZCHGLISE-UHFFFAOYSA-N 1 0 338.389 1.466 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000361941231 446091062 /nfs/dbraw/zinc/09/10/62/446091062.db2.gz ROONSPFQIXAPFC-JKSUJKDBSA-N 1 0 335.404 1.634 20 5 EDBDRO C[C@H]1CCOCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000373281392 446140278 /nfs/dbraw/zinc/14/02/78/446140278.db2.gz RDNZRPLYGYBRQU-LBPRGKRZSA-N 1 0 328.390 1.479 20 5 EDBDRO C[NH+]1CCC(n2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])n2)CC1 ZINC000373232707 446108689 /nfs/dbraw/zinc/10/86/89/446108689.db2.gz CUBUXWOMPGCUTP-UHFFFAOYSA-N 1 0 343.387 2.239 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000370093682 446181604 /nfs/dbraw/zinc/18/16/04/446181604.db2.gz UAMIZNPQTGPGFV-JGPRNRPPSA-N 1 0 341.389 1.246 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000365314841 446142834 /nfs/dbraw/zinc/14/28/34/446142834.db2.gz DCVPFXYIERYUAF-ZYHUDNBSSA-N 1 0 335.360 1.436 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359420682 446214244 /nfs/dbraw/zinc/21/42/44/446214244.db2.gz UQOUBOUFBCCXNA-GARJFASQSA-N 1 0 339.779 1.693 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366502091 446240399 /nfs/dbraw/zinc/24/03/99/446240399.db2.gz WSEOCGCYXCOCEL-IWIIMEHWSA-N 1 0 340.177 1.234 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](CS(C)(=O)=O)C1 ZINC000366518232 446246879 /nfs/dbraw/zinc/24/68/79/446246879.db2.gz HYNBORHDWRNWLG-NSHDSACASA-N 1 0 328.390 1.470 20 5 EDBDRO C[C@@H](CO)[N@@H+]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000373740103 446319569 /nfs/dbraw/zinc/31/95/69/446319569.db2.gz DTHCETJSPYEZJC-LBPRGKRZSA-N 1 0 334.376 1.625 20 5 EDBDRO C[C@H](CO)[N@@H+]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000373740102 446319956 /nfs/dbraw/zinc/31/99/56/446319956.db2.gz DTHCETJSPYEZJC-GFCCVEGCSA-N 1 0 334.376 1.625 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000366854379 446383375 /nfs/dbraw/zinc/38/33/75/446383375.db2.gz DHYZEZNXAFDHLT-CJNGLKHVSA-N 1 0 333.388 1.964 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000417941191 446393531 /nfs/dbraw/zinc/39/35/31/446393531.db2.gz MMLNXUPXFAGSRV-FVQBIDKESA-N 1 0 332.404 1.906 20 5 EDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417950570 446396814 /nfs/dbraw/zinc/39/68/14/446396814.db2.gz WIYCHJGIINNVKY-QGZVFWFLSA-N 1 0 332.404 1.922 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000418083973 446436590 /nfs/dbraw/zinc/43/65/90/446436590.db2.gz OEUZNCWOTMXHBS-NXEZZACHSA-N 1 0 332.364 1.398 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000374831164 446410567 /nfs/dbraw/zinc/41/05/67/446410567.db2.gz WXTOVCFWYLSIED-GXTWGEPZSA-N 1 0 349.387 1.587 20 5 EDBDRO O=C(CN1CC[C@]2(CC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420315619 446482268 /nfs/dbraw/zinc/48/22/68/446482268.db2.gz XACOFMDTXITYTP-HNNXBMFYSA-N 1 0 338.795 1.872 20 5 EDBDRO [NH3+]Cc1cn([C@@H]2CCCN(Cc3c(F)cccc3[N+](=O)[O-])C2)nn1 ZINC000420390233 446564808 /nfs/dbraw/zinc/56/48/08/446564808.db2.gz ZBOYCOMQIGJKHV-GFCCVEGCSA-N 1 0 334.355 1.621 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)c1[N+](=O)[O-] ZINC000367194956 446521055 /nfs/dbraw/zinc/52/10/55/446521055.db2.gz LIQQDCRSOKWBEK-LBPRGKRZSA-N 1 0 327.406 1.632 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000420417472 446590988 /nfs/dbraw/zinc/59/09/88/446590988.db2.gz HIRWXBLCRRWXDP-AWEZNQCLSA-N 1 0 339.417 1.293 20 5 EDBDRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000420419548 446594129 /nfs/dbraw/zinc/59/41/29/446594129.db2.gz IWWSYQWFQALKHJ-QWHCGFSZSA-N 1 0 327.406 1.327 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000423593899 446594222 /nfs/dbraw/zinc/59/42/22/446594222.db2.gz NKNXHPNZWOYFFL-CHWSQXEVSA-N 1 0 334.376 1.019 20 5 EDBDRO [NH3+]C1CCC(NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420421647 446596233 /nfs/dbraw/zinc/59/62/33/446596233.db2.gz PCAFDKCQJXFATA-UHFFFAOYSA-N 1 0 327.406 1.327 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000423682989 446639796 /nfs/dbraw/zinc/63/97/96/446639796.db2.gz OZRXTSKDOXQCLU-XHDPSFHLSA-N 1 0 349.387 1.971 20 5 EDBDRO C[C@@H]1CCCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000420469367 446645890 /nfs/dbraw/zinc/64/58/90/446645890.db2.gz ZAGCKPAPRIIFNA-DOMZBBRYSA-N 1 0 341.433 1.526 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000420447582 446624225 /nfs/dbraw/zinc/62/42/25/446624225.db2.gz QHUFKLMCDXJSLR-SNVBAGLBSA-N 1 0 335.332 1.179 20 5 EDBDRO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000418784099 446701238 /nfs/dbraw/zinc/70/12/38/446701238.db2.gz PESDWBZTBUMTND-OBJOEFQTSA-N 1 0 348.403 1.276 20 5 EDBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000411908665 446719602 /nfs/dbraw/zinc/71/96/02/446719602.db2.gz ILULCIKZJOXTSE-GJZGRUSLSA-N 1 0 347.371 1.874 20 5 EDBDRO Cn1ccnc1[C@H]1CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000368428894 446857225 /nfs/dbraw/zinc/85/72/25/446857225.db2.gz JNWSROGMAGZKLY-GDBMZVCRSA-N 1 0 346.387 1.905 20 5 EDBDRO COCCCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420979790 446953166 /nfs/dbraw/zinc/95/31/66/446953166.db2.gz ZYBPOPZCUOPTPD-UHFFFAOYSA-N 1 0 345.421 1.232 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000419281780 447054493 /nfs/dbraw/zinc/05/44/93/447054493.db2.gz XXMYYGHQDFXEFB-AAEUAGOBSA-N 1 0 336.392 1.180 20 5 EDBDRO COc1cc[nH+]c(N2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)c1 ZINC000413130434 447024419 /nfs/dbraw/zinc/02/44/19/447024419.db2.gz YUYUQMORHJJXCI-UHFFFAOYSA-N 1 0 333.323 1.859 20 5 EDBDRO Cc1c(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000421294338 447107997 /nfs/dbraw/zinc/10/79/97/447107997.db2.gz GLXQVLSMOLCKFE-LBPRGKRZSA-N 1 0 334.376 1.394 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421297261 447111443 /nfs/dbraw/zinc/11/14/43/447111443.db2.gz LDSYXCATHDRSJI-AWEZNQCLSA-N 1 0 348.403 1.648 20 5 EDBDRO CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000419381430 447140844 /nfs/dbraw/zinc/14/08/44/447140844.db2.gz VZGCIEQIAWGUHE-UHFFFAOYSA-N 1 0 334.420 2.000 20 5 EDBDRO Cc1cnccc1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444947399 447148088 /nfs/dbraw/zinc/14/80/88/447148088.db2.gz DCKQCALGSRVPOM-UHFFFAOYSA-N 1 0 326.316 1.918 20 5 EDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455891128 447251626 /nfs/dbraw/zinc/25/16/26/447251626.db2.gz YVBXWJLLJNTHGK-LLVKDONJSA-N 1 0 339.396 1.118 20 5 EDBDRO CC1(C)C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[C@H]1O ZINC000446060127 447222672 /nfs/dbraw/zinc/22/26/72/447222672.db2.gz LRHFYISDGIMLQJ-OAHLLOKOSA-N 1 0 349.387 1.986 20 5 EDBDRO CNc1nc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000456025210 447286597 /nfs/dbraw/zinc/28/65/97/447286597.db2.gz CEQVLNSXEXCCAO-INIZCTEOSA-N 1 0 333.392 1.589 20 5 EDBDRO COC(=O)[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+](C)C1 ZINC000414394422 447295847 /nfs/dbraw/zinc/29/58/47/447295847.db2.gz BFJPVVZKXUKUQU-NSHDSACASA-N 1 0 336.348 1.163 20 5 EDBDRO O=C(C[NH2+][C@H](CO)[C@H]1CCCO1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000447913530 447295923 /nfs/dbraw/zinc/29/59/23/447295923.db2.gz MLTMENCZFYPSBO-DGCLKSJQSA-N 1 0 343.767 1.316 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000421866074 447264880 /nfs/dbraw/zinc/26/48/80/447264880.db2.gz DEYNFCUJHOQYKV-AWEZNQCLSA-N 1 0 335.404 1.740 20 5 EDBDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(N)c([N+](=O)[O-])c1 ZINC000369020708 447268627 /nfs/dbraw/zinc/26/86/27/447268627.db2.gz ANZDQNPNRGSWQT-NWDGAFQWSA-N 1 0 334.376 1.078 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[N@@H+](C)CCN(C)C ZINC000421906031 447273896 /nfs/dbraw/zinc/27/38/96/447273896.db2.gz KLMLDPWPCPQVAS-UHFFFAOYSA-N 1 0 336.436 1.825 20 5 EDBDRO CC[N@H+](CCNC(=O)c1c([N+](=O)[O-])cnn1C)CCC(F)(F)F ZINC000427292487 447575698 /nfs/dbraw/zinc/57/56/98/447575698.db2.gz QSLPVTZJSMZKGJ-UHFFFAOYSA-N 1 0 337.302 1.332 20 5 EDBDRO O=[N+]([O-])c1cccc2ncnc(NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)c21 ZINC000450787348 447576768 /nfs/dbraw/zinc/57/67/68/447576768.db2.gz FMQKPNDPQCEEMF-TXEJJXNPSA-N 1 0 329.360 1.813 20 5 EDBDRO [NH3+][C@H]1CCCN(c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)C1 ZINC000420130619 447622360 /nfs/dbraw/zinc/62/23/60/447622360.db2.gz XWIWIJJTGBHDBC-JTQLQIEISA-N 1 0 349.778 1.722 20 5 EDBDRO CC(C)([NH3+])CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000420199511 447666683 /nfs/dbraw/zinc/66/66/83/447666683.db2.gz LZWGBGBOUTVJLQ-UHFFFAOYSA-N 1 0 337.767 1.943 20 5 EDBDRO COC(=O)c1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc([N+](=O)[O-])c1 ZINC000422750769 447738316 /nfs/dbraw/zinc/73/83/16/447738316.db2.gz BLROIMTVNMJOPJ-FUNVUKJBSA-N 1 0 333.344 1.394 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000451900007 447777383 /nfs/dbraw/zinc/77/73/83/447777383.db2.gz JOOCYQNFHPPSFH-DOTOQJQBSA-N 1 0 336.388 1.837 20 5 EDBDRO CC(C)[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000487964618 447839390 /nfs/dbraw/zinc/83/93/90/447839390.db2.gz PTVFERDRNWMNDJ-INIZCTEOSA-N 1 0 334.420 1.830 20 5 EDBDRO CCC1CCC([N@H+](CCO)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000488231142 447844052 /nfs/dbraw/zinc/84/40/52/447844052.db2.gz JSBVWKHVKARWHD-XUJLQICISA-N 1 0 340.424 1.415 20 5 EDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000549204756 447867347 /nfs/dbraw/zinc/86/73/47/447867347.db2.gz QLJXEWABPAUAIV-UHFFFAOYSA-N 1 0 337.380 1.035 20 5 EDBDRO COc1ccc(CC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000523741092 447905971 /nfs/dbraw/zinc/90/59/71/447905971.db2.gz XJTJAOLNBDAQRN-AWEZNQCLSA-N 1 0 335.404 1.946 20 5 EDBDRO CCOc1cc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000570154722 447954682 /nfs/dbraw/zinc/95/46/82/447954682.db2.gz IKIQMAQBQRLUJS-GFCCVEGCSA-N 1 0 349.387 1.969 20 5 EDBDRO COc1ccc(CC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000571163083 448114447 /nfs/dbraw/zinc/11/44/47/448114447.db2.gz QWBIGQCMNMRUBP-GJZGRUSLSA-N 1 0 347.415 1.994 20 5 EDBDRO CCc1nccn1C[C@@H]1CCCN1C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000576924291 448170726 /nfs/dbraw/zinc/17/07/26/448170726.db2.gz RANCWNVHBRMHJS-LBPRGKRZSA-N 1 0 346.391 1.875 20 5 EDBDRO CNc1nccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000561114731 448230236 /nfs/dbraw/zinc/23/02/36/448230236.db2.gz SVXVBOUBXWRADU-GFCCVEGCSA-N 1 0 349.416 2.126 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000591304842 448315822 /nfs/dbraw/zinc/31/58/22/448315822.db2.gz QYLCENSHQUZSBG-DGCLKSJQSA-N 1 0 332.360 1.052 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000591304843 448316037 /nfs/dbraw/zinc/31/60/37/448316037.db2.gz QYLCENSHQUZSBG-WCQYABFASA-N 1 0 332.360 1.052 20 5 EDBDRO CC[C@H]1CN(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000591304438 448316341 /nfs/dbraw/zinc/31/63/41/448316341.db2.gz ZJFLPQJZZXUSTI-QWHCGFSZSA-N 1 0 348.403 1.736 20 5 EDBDRO [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C2=O ZINC000577629866 448347816 /nfs/dbraw/zinc/34/78/16/448347816.db2.gz SHBZKQZZRBROLL-WBMJQRKESA-N 1 0 332.360 1.534 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000572413727 448372248 /nfs/dbraw/zinc/37/22/48/448372248.db2.gz QPRQBCMCYLSLDB-UHFFFAOYSA-N 1 0 336.392 1.874 20 5 EDBDRO CC[C@H]1CN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000591346339 448334484 /nfs/dbraw/zinc/33/44/84/448334484.db2.gz KSRPOWKUABCAMX-QWHCGFSZSA-N 1 0 336.392 1.872 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000591560825 448391174 /nfs/dbraw/zinc/39/11/74/448391174.db2.gz BBYMHMVSOFEMPT-UHFFFAOYSA-N 1 0 325.390 1.420 20 5 EDBDRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000572735431 448453744 /nfs/dbraw/zinc/45/37/44/448453744.db2.gz VQDIPHMQQFLJOX-UHFFFAOYSA-N 1 0 325.390 1.487 20 5 EDBDRO O=c1[nH]cnc2cc(NC[C@@H]3CCC[N@H+]3CCCO)c([N+](=O)[O-])cc12 ZINC000516848133 448479696 /nfs/dbraw/zinc/47/96/96/448479696.db2.gz HYBWZFNNMZJIAT-NSHDSACASA-N 1 0 347.375 1.502 20 5 EDBDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591744207 448480671 /nfs/dbraw/zinc/48/06/71/448480671.db2.gz CRPURRFBZJVAQD-WFASDCNBSA-N 1 0 348.359 1.274 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000572869847 448485388 /nfs/dbraw/zinc/48/53/88/448485388.db2.gz TVLFGSKKDRWCAD-CZUORRHYSA-N 1 0 335.404 1.408 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2cccc3[nH]ccc32)c1 ZINC000591766343 448485770 /nfs/dbraw/zinc/48/57/70/448485770.db2.gz ZIWWMHCJCFWLSU-CQSZACIVSA-N 1 0 329.360 1.466 20 5 EDBDRO O=C(CC[NH2+][C@@H]1C[C@H](O)[C@H]1n1cccn1)Nc1ccccc1[N+](=O)[O-] ZINC000517372148 448578287 /nfs/dbraw/zinc/57/82/87/448578287.db2.gz VVTCEEAKOZFJSB-INWMFGNUSA-N 1 0 345.359 1.084 20 5 EDBDRO C[C@@H](CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[C@H]1CCC[NH2+]C1 ZINC000517148128 448544112 /nfs/dbraw/zinc/54/41/12/448544112.db2.gz CQBFDSLLNCEPAL-STQMWFEESA-N 1 0 332.404 1.900 20 5 EDBDRO C[NH+]1CCC2(CC1)CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000592252044 448762829 /nfs/dbraw/zinc/76/28/29/448762829.db2.gz QHXVBSKGFRCJSJ-UHFFFAOYSA-N 1 0 334.376 1.923 20 5 EDBDRO C[C@@H]1CCC[N@H+](CCNc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1 ZINC000585703489 448742011 /nfs/dbraw/zinc/74/20/11/448742011.db2.gz ZVZRXVBTLDDRTD-GFCCVEGCSA-N 1 0 347.419 1.929 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592381833 448814965 /nfs/dbraw/zinc/81/49/65/448814965.db2.gz HERNEKPXMDBQDR-OLZOCXBDSA-N 1 0 341.433 1.960 20 5 EDBDRO O=[N+]([O-])c1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)ccc1-n1cncn1 ZINC000592356915 448804547 /nfs/dbraw/zinc/80/45/47/448804547.db2.gz KRXAMUJKSRTPNZ-JTQLQIEISA-N 1 0 327.304 1.650 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000592367811 448808269 /nfs/dbraw/zinc/80/82/69/448808269.db2.gz WUMSHKMOIIXYEH-CYBMUJFWSA-N 1 0 327.406 1.199 20 5 EDBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2C[C@@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000519640474 448808764 /nfs/dbraw/zinc/80/87/64/448808764.db2.gz DCLGELWDWFYLAX-UONOGXRCSA-N 1 0 337.376 1.681 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000579494615 448810135 /nfs/dbraw/zinc/81/01/35/448810135.db2.gz UHMLCLFBKNTRBZ-ZDUSSCGKSA-N 1 0 338.408 2.300 20 5 EDBDRO C[C@@H](CCN(C)C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000519502042 448773787 /nfs/dbraw/zinc/77/37/87/448773787.db2.gz KNMMJRSENALQSC-LBPRGKRZSA-N 1 0 329.422 1.298 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC[C@@H]1[NH3+] ZINC000592382021 448814316 /nfs/dbraw/zinc/81/43/16/448814316.db2.gz FPRMEPMNXMHBDX-JSGCOSHPSA-N 1 0 341.433 1.960 20 5 EDBDRO CC[C@@H]1CN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592332043 448795397 /nfs/dbraw/zinc/79/53/97/448795397.db2.gz SLZFDUJEOMPYJL-YGRLFVJLSA-N 1 0 335.360 1.581 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592387349 448817806 /nfs/dbraw/zinc/81/78/06/448817806.db2.gz NQPPNAFPRUPCCM-GFCCVEGCSA-N 1 0 327.406 1.578 20 5 EDBDRO C/C=C/C[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000519779202 448842199 /nfs/dbraw/zinc/84/21/99/448842199.db2.gz UWZBOZOKPYFJHS-QAVQXKDTSA-N 1 0 328.390 1.285 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1 ZINC000587988174 448850534 /nfs/dbraw/zinc/85/05/34/448850534.db2.gz OSZZPAFYHCXTCO-LBPRGKRZSA-N 1 0 347.419 1.706 20 5 EDBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc2ccccc2[nH]1 ZINC000574445188 448874649 /nfs/dbraw/zinc/87/46/49/448874649.db2.gz SSUSTBRBVWGXHI-JQWIXIFHSA-N 1 0 330.348 1.379 20 5 EDBDRO C[C@@H](CCC[NH3+])NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000592555293 448898148 /nfs/dbraw/zinc/89/81/48/448898148.db2.gz VDJNMLNTAHYWGV-WDEREUQCSA-N 1 0 338.364 1.036 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCN2CCc3ccccc32)c1 ZINC000568750787 448914256 /nfs/dbraw/zinc/91/42/56/448914256.db2.gz JGMPIAXCEOWLGJ-INIZCTEOSA-N 1 0 345.403 1.195 20 5 EDBDRO CCc1nn(C)c(N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1[N+](=O)[O-] ZINC000574624120 448918041 /nfs/dbraw/zinc/91/80/41/448918041.db2.gz ILCQPYFMVBELKO-IUODEOHRSA-N 1 0 337.424 1.613 20 5 EDBDRO Cc1ccc(NCCCNC(=O)COC2(C)C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000592535693 448887130 /nfs/dbraw/zinc/88/71/30/448887130.db2.gz ZWYWSRKFCRYUDI-UHFFFAOYSA-N 1 0 336.392 1.200 20 5 EDBDRO CNc1nccc(C(=O)Nc2ccccc2C[NH+](C)C)c1[N+](=O)[O-] ZINC000580445990 448948584 /nfs/dbraw/zinc/94/85/84/448948584.db2.gz AFWVMQOTCJZJRQ-UHFFFAOYSA-N 1 0 329.360 2.345 20 5 EDBDRO C[C@H]1C[NH+](CCCNc2c(Cl)cncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000589103483 448969510 /nfs/dbraw/zinc/96/95/10/448969510.db2.gz SIPZBZSZAPESIX-QWRGUYRKSA-N 1 0 328.800 1.976 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000521273670 448969897 /nfs/dbraw/zinc/96/98/97/448969897.db2.gz ZJVKWBQWJZFXNE-CHWSQXEVSA-N 1 0 339.417 1.584 20 5 EDBDRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000588830153 448936599 /nfs/dbraw/zinc/93/65/99/448936599.db2.gz GSKSVXZWPWYNAO-CQSZACIVSA-N 1 0 338.795 1.368 20 5 EDBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588859981 448941167 /nfs/dbraw/zinc/94/11/67/448941167.db2.gz AGNLWQXZWRDTJP-NEPJUHHUSA-N 1 0 339.779 1.529 20 5 EDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000522383615 449078859 /nfs/dbraw/zinc/07/88/59/449078859.db2.gz GZWRJKBVXKWMEB-NSHDSACASA-N 1 0 335.360 1.737 20 5 EDBDRO C[C@H](CO)C1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000593081326 449125877 /nfs/dbraw/zinc/12/58/77/449125877.db2.gz CHRTWHJXZJNYAC-CZUORRHYSA-N 1 0 338.404 1.675 20 5 EDBDRO COC(=O)c1cc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000597858568 449126640 /nfs/dbraw/zinc/12/66/40/449126640.db2.gz NFAGSYLAPMVHGA-ZDUSSCGKSA-N 1 0 349.387 1.984 20 5 EDBDRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000597878159 449131268 /nfs/dbraw/zinc/13/12/68/449131268.db2.gz MPISSQWKCQPCOD-UHFFFAOYSA-N 1 0 337.376 1.809 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000590140627 449111650 /nfs/dbraw/zinc/11/16/50/449111650.db2.gz OLKVEHYTODWMRL-MRXNPFEDSA-N 1 0 348.447 1.815 20 5 EDBDRO C[NH2+]CCOCCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000599936996 449116321 /nfs/dbraw/zinc/11/63/21/449116321.db2.gz SNFJLUABXAGXIY-UHFFFAOYSA-N 1 0 336.392 1.505 20 5 EDBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595680324 449116793 /nfs/dbraw/zinc/11/67/93/449116793.db2.gz ZLUPGURSDWEQEZ-BBRMVZONSA-N 1 0 347.415 1.967 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599940822 449118694 /nfs/dbraw/zinc/11/86/94/449118694.db2.gz RLYVPLRCOIYVAR-KBPBESRZSA-N 1 0 333.388 1.493 20 5 EDBDRO C[C@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1CCO ZINC000595692967 449121800 /nfs/dbraw/zinc/12/18/00/449121800.db2.gz CIPSCNSFZWXVER-BBRMVZONSA-N 1 0 347.415 1.967 20 5 EDBDRO C[C@@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1CC[NH3+] ZINC000593735724 449170443 /nfs/dbraw/zinc/17/04/43/449170443.db2.gz ZKGSYOZAWFBZFB-CJNGLKHVSA-N 1 0 346.431 1.933 20 5 EDBDRO Cc1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000590399901 449146977 /nfs/dbraw/zinc/14/69/77/449146977.db2.gz QBWXHJYWRQMMNP-GDBMZVCRSA-N 1 0 333.388 1.838 20 5 EDBDRO Cc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000590399160 449148135 /nfs/dbraw/zinc/14/81/35/449148135.db2.gz CGYZGIHLOPCVNM-JKSUJKDBSA-N 1 0 333.388 1.838 20 5 EDBDRO COCCOCC[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000593695553 449150190 /nfs/dbraw/zinc/15/01/90/449150190.db2.gz QPJNIDMOGIMAQE-GQCTYLIASA-N 1 0 349.431 1.889 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC2(COC2)C1 ZINC000595832001 449196599 /nfs/dbraw/zinc/19/65/99/449196599.db2.gz AUCQBXLYHLLJFV-UHFFFAOYSA-N 1 0 333.344 1.615 20 5 EDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000595908638 449246539 /nfs/dbraw/zinc/24/65/39/449246539.db2.gz ODOICICUBOLXCX-KWQFWETISA-N 1 0 334.298 1.743 20 5 EDBDRO CCc1ccc(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cc1[N+](=O)[O-] ZINC000595947372 449273392 /nfs/dbraw/zinc/27/33/92/449273392.db2.gz KPUHZMUCONKYLC-UHFFFAOYSA-N 1 0 331.332 1.042 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595937952 449266313 /nfs/dbraw/zinc/26/63/13/449266313.db2.gz ZZMMWBCOUBPQQH-HNNXBMFYSA-N 1 0 349.435 1.728 20 5 EDBDRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000598062671 449224438 /nfs/dbraw/zinc/22/44/38/449224438.db2.gz UCZPVFLLJSUAME-UHFFFAOYSA-N 1 0 344.375 1.355 20 5 EDBDRO COc1cccc([N+](=O)[O-])c1N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000596014932 449316809 /nfs/dbraw/zinc/31/68/09/449316809.db2.gz WYDLLKJAMIIHDR-LBPRGKRZSA-N 1 0 332.364 1.495 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CNc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000611525606 449321953 /nfs/dbraw/zinc/32/19/53/449321953.db2.gz ODABDNLGWSRYFR-LBPRGKRZSA-N 1 0 337.424 1.107 20 5 EDBDRO O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000593907513 449277422 /nfs/dbraw/zinc/27/74/22/449277422.db2.gz REEPTKJZLUKMQN-KBPBESRZSA-N 1 0 333.392 1.485 20 5 EDBDRO CCO[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593916720 449284569 /nfs/dbraw/zinc/28/45/69/449284569.db2.gz OBNQWAWIZKFLSM-IUODEOHRSA-N 1 0 337.376 1.186 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000598342093 449356568 /nfs/dbraw/zinc/35/65/68/449356568.db2.gz DYGMSRYACVJXLB-TZMCWYRMSA-N 1 0 348.403 1.314 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC3(CCC3)[C@@H]2c2ccncc2)c1 ZINC000596040764 449332729 /nfs/dbraw/zinc/33/27/29/449332729.db2.gz YUQUDLOCRMAKEU-HOTGVXAUSA-N 1 0 343.387 1.774 20 5 EDBDRO CN(CC(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000602168178 449399267 /nfs/dbraw/zinc/39/92/67/449399267.db2.gz VPFPLNLNBPPDSB-OKILXGFUSA-N 1 0 332.404 1.774 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000598453659 449403448 /nfs/dbraw/zinc/40/34/48/449403448.db2.gz SPJGXAZBAISSEC-ZDUSSCGKSA-N 1 0 337.351 1.405 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594236619 449404020 /nfs/dbraw/zinc/40/40/20/449404020.db2.gz XTTOEFIDXWKRER-AEGPPILISA-N 1 0 348.403 1.425 20 5 EDBDRO O=c1[nH]ccc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596142124 449382759 /nfs/dbraw/zinc/38/27/59/449382759.db2.gz DLPUWMJZTLBISO-QGZVFWFLSA-N 1 0 344.371 1.744 20 5 EDBDRO NC(=O)c1cc(N2CCC([N@@H+]3CCCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000596267977 449446386 /nfs/dbraw/zinc/44/63/86/449446386.db2.gz DXTXGNXIJYSYIR-UHFFFAOYSA-N 1 0 348.403 1.385 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598560901 449466108 /nfs/dbraw/zinc/46/61/08/449466108.db2.gz ORGQSMQZNFUVFM-AWEZNQCLSA-N 1 0 335.408 1.338 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598589697 449480153 /nfs/dbraw/zinc/48/01/53/449480153.db2.gz IDQZKOFZGIFSLB-GFCCVEGCSA-N 1 0 338.412 1.364 20 5 EDBDRO O=C1[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1C1CCC1 ZINC000600759469 449537311 /nfs/dbraw/zinc/53/73/11/449537311.db2.gz GPNKJGNFOHHECA-UONOGXRCSA-N 1 0 349.387 1.078 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c1C ZINC000598726320 449565144 /nfs/dbraw/zinc/56/51/44/449565144.db2.gz RVNAMMDTKQDJLM-DOMZBBRYSA-N 1 0 339.417 1.714 20 5 EDBDRO O=C1[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCN1C1CCOCC1 ZINC000594498968 449557330 /nfs/dbraw/zinc/55/73/30/449557330.db2.gz OHVPNQUPLXZQJL-HZPDHXFCSA-N 1 0 345.399 1.952 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598716102 449559599 /nfs/dbraw/zinc/55/95/99/449559599.db2.gz XKGZHQVNILRONZ-JQWIXIFHSA-N 1 0 327.406 1.630 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598716229 449559669 /nfs/dbraw/zinc/55/96/69/449559669.db2.gz BYYFUYYSMMZXIE-RYUDHWBXSA-N 1 0 327.406 1.760 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598716879 449560765 /nfs/dbraw/zinc/56/07/65/449560765.db2.gz UKMYTOVHZIYNKV-STQMWFEESA-N 1 0 341.433 1.960 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H](C)N[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598716891 449560979 /nfs/dbraw/zinc/56/09/79/449560979.db2.gz UWVKEFNRAKWEKC-PHIMTYICSA-N 1 0 327.406 1.583 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)ccc1[N+](=O)[O-] ZINC000598722934 449564456 /nfs/dbraw/zinc/56/44/56/449564456.db2.gz DYACVESYCSLSEO-SMDDNHRTSA-N 1 0 325.390 1.405 20 5 EDBDRO C[NH+](C)CCCn1cc(CNC(=O)Nc2ccccc2[N+](=O)[O-])nn1 ZINC000594642997 449602756 /nfs/dbraw/zinc/60/27/56/449602756.db2.gz DGCLWUSSJXZFPY-UHFFFAOYSA-N 1 0 347.379 1.460 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCO[C@@H]2CC2(F)F)c1 ZINC000594715784 449643642 /nfs/dbraw/zinc/64/36/42/449643642.db2.gz CNIKDXGSKURGTE-WCQYABFASA-N 1 0 332.303 1.348 20 5 EDBDRO C[C@@H]1CCN(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602592359 449692445 /nfs/dbraw/zinc/69/24/45/449692445.db2.gz DHKANXYSOZCPAT-CQSZACIVSA-N 1 0 333.436 1.890 20 5 EDBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H](O)C(F)(F)F ZINC000602741332 449777058 /nfs/dbraw/zinc/77/70/58/449777058.db2.gz ARPABSOBXOTSGK-NOZJJQNGSA-N 1 0 348.325 1.860 20 5 EDBDRO Cc1cc(N2CCO[C@@H](CC(N)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599187951 449786442 /nfs/dbraw/zinc/78/64/42/449786442.db2.gz SFRUHJCHQNXBFQ-LBPRGKRZSA-N 1 0 330.344 1.532 20 5 EDBDRO C[C@]1(CO)CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@]1(C)CO ZINC000599162859 449772815 /nfs/dbraw/zinc/77/28/15/449772815.db2.gz APWIRELVVQJFGP-CALCHBBNSA-N 1 0 331.372 1.960 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000601351426 449864968 /nfs/dbraw/zinc/86/49/68/449864968.db2.gz GVNRZRRTGCZUFC-TZMCWYRMSA-N 1 0 339.417 1.666 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1([NH3+])CCCC1 ZINC000595120229 449880718 /nfs/dbraw/zinc/88/07/18/449880718.db2.gz SSQOYZFOSBWOKN-UHFFFAOYSA-N 1 0 329.378 1.153 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NCC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000595121265 449882498 /nfs/dbraw/zinc/88/24/98/449882498.db2.gz MICAJBQFICKZKR-GFCCVEGCSA-N 1 0 329.422 1.863 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000595122637 449884014 /nfs/dbraw/zinc/88/40/14/449884014.db2.gz PPEQYHFRFGRVCG-GHMZBOCLSA-N 1 0 331.369 1.271 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])s1 ZINC000601343457 449853213 /nfs/dbraw/zinc/85/32/13/449853213.db2.gz NYZNKDLTEGNJLH-SNVBAGLBSA-N 1 0 333.435 1.727 20 5 EDBDRO CC1([NH+]2CCCC2)CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000602923287 449924046 /nfs/dbraw/zinc/92/40/46/449924046.db2.gz ULPGFWHWKLWQPQ-UHFFFAOYSA-N 1 0 333.392 1.894 20 5 EDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000602957734 449957884 /nfs/dbraw/zinc/95/78/84/449957884.db2.gz PKDYMIKGEOSCSI-ZDUSSCGKSA-N 1 0 333.392 1.812 20 5 EDBDRO C[C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000595228722 449959974 /nfs/dbraw/zinc/95/99/74/449959974.db2.gz ISIYMFFEZNQKIS-YPMHNXCESA-N 1 0 329.360 1.590 20 5 EDBDRO C[C@](CO)([NH2+]CCC(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602962915 449963371 /nfs/dbraw/zinc/96/33/71/449963371.db2.gz QKWQXZIPUQDHSQ-QGZVFWFLSA-N 1 0 335.404 1.795 20 5 EDBDRO Cc1csc(=O)n1CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962769 449964016 /nfs/dbraw/zinc/96/40/16/449964016.db2.gz OULNZEMOGDUBDT-HNNXBMFYSA-N 1 0 337.401 1.624 20 5 EDBDRO [NH3+]C1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC2(CCC2)C1 ZINC000595247852 449973906 /nfs/dbraw/zinc/97/39/06/449973906.db2.gz ARVJGXKXYISVNY-UHFFFAOYSA-N 1 0 344.415 1.905 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000595257184 449980586 /nfs/dbraw/zinc/98/05/86/449980586.db2.gz IDJKLDLHOKARPX-CYBMUJFWSA-N 1 0 331.332 1.091 20 5 EDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609383122 450021295 /nfs/dbraw/zinc/02/12/95/450021295.db2.gz JLSYPNNLHAJESR-AWEZNQCLSA-N 1 0 332.404 1.997 20 5 EDBDRO O=C(C[NH2+][C@@H]1CCCn2nccc21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000603026525 450020527 /nfs/dbraw/zinc/02/05/27/450020527.db2.gz AEIORWWNBQMXMY-CQSZACIVSA-N 1 0 341.371 1.805 20 5 EDBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000609383421 450020626 /nfs/dbraw/zinc/02/06/26/450020626.db2.gz ZQWHBMZTMCIAQF-NSHDSACASA-N 1 0 337.376 1.684 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000595354035 450069428 /nfs/dbraw/zinc/06/94/28/450069428.db2.gz LIZRHSRSQKTSDT-LBPRGKRZSA-N 1 0 327.406 1.666 20 5 EDBDRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595344887 450058917 /nfs/dbraw/zinc/05/89/17/450058917.db2.gz KEJGZINPHGJPPP-GFCCVEGCSA-N 1 0 327.406 1.700 20 5 EDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000615312757 450059641 /nfs/dbraw/zinc/05/96/41/450059641.db2.gz HWSJQPSEUFMOLF-ZDUSSCGKSA-N 1 0 348.403 1.832 20 5 EDBDRO COCC[C@@](C)(O)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609708069 450087616 /nfs/dbraw/zinc/08/76/16/450087616.db2.gz BTUWGJHSJPUPRI-OAHLLOKOSA-N 1 0 326.349 1.243 20 5 EDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C2 ZINC000597572339 450117310 /nfs/dbraw/zinc/11/73/10/450117310.db2.gz QPRSTPAOVDJYBK-UHFFFAOYSA-N 1 0 341.314 1.974 20 5 EDBDRO CC(C)(C)n1nnc(CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)n1 ZINC000595423298 450132350 /nfs/dbraw/zinc/13/23/50/450132350.db2.gz LSRHXVUIPQBFBO-UHFFFAOYSA-N 1 0 331.380 1.332 20 5 EDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000597701406 450206513 /nfs/dbraw/zinc/20/65/13/450206513.db2.gz SNQSPCWHMJLGBR-JSGCOSHPSA-N 1 0 343.387 1.945 20 5 EDBDRO C[N@@H+]1CCCN(CCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000610712849 450308844 /nfs/dbraw/zinc/30/88/44/450308844.db2.gz AWHFZBPQFPHWJL-UHFFFAOYSA-N 1 0 338.383 1.491 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000616089255 450318316 /nfs/dbraw/zinc/31/83/16/450318316.db2.gz QGTRENULHHZIJM-SNVBAGLBSA-N 1 0 326.349 1.396 20 5 EDBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000618924579 450342400 /nfs/dbraw/zinc/34/24/00/450342400.db2.gz ZKTJJVWEFORKAR-QGZVFWFLSA-N 1 0 335.404 1.443 20 5 EDBDRO Cc1c([C@@H](C)[NH2+]CCCN(C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000610799148 485890933 /nfs/dbraw/zinc/89/09/33/485890933.db2.gz AABAMIVNBFLMBB-GFCCVEGCSA-N 1 0 329.422 1.835 20 5 EDBDRO Cc1cc(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000153649942 533976000 /nfs/dbraw/zinc/97/60/00/533976000.db2.gz NJJCAUWFFLDCED-CYBMUJFWSA-N 1 0 335.408 1.661 20 5 EDBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000177378560 534709337 /nfs/dbraw/zinc/70/93/37/534709337.db2.gz CCSWRIFCOHKRGH-LBPRGKRZSA-N 1 0 337.351 1.528 20 5 EDBDRO CC(=O)N1CCN(CC[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000344871485 534790061 /nfs/dbraw/zinc/79/00/61/534790061.db2.gz YRRUXIAQENIKTJ-QINSGFPZSA-N 1 0 346.431 1.752 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237121070 536457491 /nfs/dbraw/zinc/45/74/91/536457491.db2.gz RCHKSCBZPJXZIR-NSHDSACASA-N 1 0 330.344 1.260 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000174025397 527837903 /nfs/dbraw/zinc/83/79/03/527837903.db2.gz CYWYDWIHNRXNBL-LLVKDONJSA-N 1 0 345.396 1.696 20 5 EDBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000173917099 528176702 /nfs/dbraw/zinc/17/67/02/528176702.db2.gz MPGWRKCOFLYBJL-ZDUSSCGKSA-N 1 0 341.433 1.947 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000183987807 528545808 /nfs/dbraw/zinc/54/58/08/528545808.db2.gz XCGSZZUVNUZYOF-UHFFFAOYSA-N 1 0 327.406 1.361 20 5 EDBDRO CCOC(=O)CN(C)C(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181832751 528785580 /nfs/dbraw/zinc/78/55/80/528785580.db2.gz LSAKUFBAHRYXBU-GFCCVEGCSA-N 1 0 337.376 1.575 20 5 EDBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000160144166 528949081 /nfs/dbraw/zinc/94/90/81/528949081.db2.gz OVXBVEDBXCCRSS-UHFFFAOYSA-N 1 0 331.394 1.399 20 5 EDBDRO CNS(=O)(=O)c1ccc(N[C@H]2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000262382412 536320715 /nfs/dbraw/zinc/32/07/15/536320715.db2.gz YXCZJVUTYAHNDU-ONGXEEELSA-N 1 0 328.394 1.042 20 5 EDBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 ZINC000261878194 536346277 /nfs/dbraw/zinc/34/62/77/536346277.db2.gz VZSCFIHDWAZUFS-JTQLQIEISA-N 1 0 328.332 1.981 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000353210591 536476509 /nfs/dbraw/zinc/47/65/09/536476509.db2.gz QDFHTIBNFFVYGV-AAEUAGOBSA-N 1 0 338.360 1.804 20 5 EDBDRO CO[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[C@H](C[NH3+])C1 ZINC000261624406 536754751 /nfs/dbraw/zinc/75/47/51/536754751.db2.gz CLYGQLWDPKVLNL-STQMWFEESA-N 1 0 343.405 1.030 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000741725724 579426260 /nfs/dbraw/zinc/42/62/60/579426260.db2.gz SIWRMNAWNGYFIG-AAEUAGOBSA-N 1 0 335.360 1.385 20 5 EDBDRO C[NH+](C)CC(C)(C)CNC(=S)NNc1ccc([N+](=O)[O-])cc1 ZINC000727064618 578512706 /nfs/dbraw/zinc/51/27/06/578512706.db2.gz BOOXFEDCTOTKBF-UHFFFAOYSA-N 1 0 325.438 1.974 20 5 EDBDRO CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)C[NH+](C)C ZINC000727297023 578525958 /nfs/dbraw/zinc/52/59/58/578525958.db2.gz XFMPGXLQCDGJSD-UHFFFAOYSA-N 1 0 347.375 1.943 20 5 EDBDRO CC[NH+](CC)C[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000746235899 579577866 /nfs/dbraw/zinc/57/78/66/579577866.db2.gz MEPSADWGCLHLQQ-NSHDSACASA-N 1 0 327.356 1.959 20 5 EDBDRO C[N@@H+]1CCCN(CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000748534729 579691862 /nfs/dbraw/zinc/69/18/62/579691862.db2.gz GIXCOVOJQLKIJB-UHFFFAOYSA-N 1 0 337.380 1.943 20 5 EDBDRO COc1ccc([C@H](O)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749672207 579734291 /nfs/dbraw/zinc/73/42/91/579734291.db2.gz QDBLEDODNAVANB-SJORKVTESA-N 1 0 332.356 1.960 20 5 EDBDRO CCOCC[NH+]1CCN(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1 ZINC000749953583 579744973 /nfs/dbraw/zinc/74/49/73/579744973.db2.gz OSKHJUHMZYAORG-UHFFFAOYSA-N 1 0 348.407 1.260 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[N@H+](C[C@H]3CCCO3)CC2)c1 ZINC000750036262 579749313 /nfs/dbraw/zinc/74/93/13/579749313.db2.gz KHKMIHQKOCWHGC-MSOLQXFVSA-N 1 0 349.431 1.815 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000758331011 579980048 /nfs/dbraw/zinc/98/00/48/579980048.db2.gz LWCVVIGZOMLIDC-IAQYHMDHSA-N 1 0 343.387 1.543 20 5 EDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000765930636 580153899 /nfs/dbraw/zinc/15/38/99/580153899.db2.gz QFYYKMHREUUFQH-OLZOCXBDSA-N 1 0 345.403 1.886 20 5 EDBDRO COC(=O)C[C@@]1([NH2+]CCOc2ccccc2[N+](=O)[O-])CCCOC1 ZINC000770699096 580268254 /nfs/dbraw/zinc/26/82/54/580268254.db2.gz HTNCXZUTCHPJCS-INIZCTEOSA-N 1 0 338.360 1.676 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1 ZINC000776589476 580422812 /nfs/dbraw/zinc/42/28/12/580422812.db2.gz SLQINZMTYBAREK-IRXDYDNUSA-N 1 0 335.404 1.425 20 5 EDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781968211 580562011 /nfs/dbraw/zinc/56/20/11/580562011.db2.gz ANAYMYMCJVMUSP-WBMJQRKESA-N 1 0 348.403 1.934 20 5 EDBDRO C[C@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CC(C)(C)O ZINC000782004159 580563594 /nfs/dbraw/zinc/56/35/94/580563594.db2.gz HZIUIOPEELNTIY-BBRMVZONSA-N 1 0 337.420 1.405 20 5 EDBDRO O=C(Cn1cnc([N+](=O)[O-])n1)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000783442581 580600117 /nfs/dbraw/zinc/60/01/17/580600117.db2.gz XMLVQDMAKHELLX-AWEZNQCLSA-N 1 0 345.359 1.394 20 5 EDBDRO O=C1CCCN1[C@@H]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000790461401 580770906 /nfs/dbraw/zinc/77/09/06/580770906.db2.gz SODVCPHDQVJYHE-CQSZACIVSA-N 1 0 329.360 1.599 20 5 EDBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000792878937 580829986 /nfs/dbraw/zinc/82/99/86/580829986.db2.gz CIJIXPHGIUANIA-UHFFFAOYSA-N 1 0 325.321 1.476 20 5 EDBDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C[C@@H]21 ZINC000794992396 580910392 /nfs/dbraw/zinc/91/03/92/580910392.db2.gz VCYODJLLSCIWDT-VIKVFOODSA-N 1 0 347.371 1.583 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000804808903 590776608 /nfs/dbraw/zinc/77/66/08/590776608.db2.gz MPHBBDFMIOOZPI-JSGCOSHPSA-N 1 0 348.403 1.254 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000892203731 590863074 /nfs/dbraw/zinc/86/30/74/590863074.db2.gz UQMLEUNIIKFYFE-GFCCVEGCSA-N 1 0 336.392 1.744 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000892687633 591130630 /nfs/dbraw/zinc/13/06/30/591130630.db2.gz NGRHBFWFWCNSBV-ZDUSSCGKSA-N 1 0 338.408 1.576 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000891769675 591218322 /nfs/dbraw/zinc/21/83/22/591218322.db2.gz CISLSZLQFVLXOS-UHFFFAOYSA-N 1 0 344.419 1.953 20 5 EDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841159775 591230657 /nfs/dbraw/zinc/23/06/57/591230657.db2.gz MDKBGFWZIIHSHK-VIFPVBQESA-N 1 0 340.767 1.445 20 5 EDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000895681224 591251977 /nfs/dbraw/zinc/25/19/77/591251977.db2.gz NRLIOVNJOBILKT-CYBMUJFWSA-N 1 0 345.403 1.910 20 5 EDBDRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000893024475 591259040 /nfs/dbraw/zinc/25/90/40/591259040.db2.gz IBWWIDGQRPWAGQ-ZIAGYGMSSA-N 1 0 337.424 1.903 20 5 EDBDRO COc1cc(N2CC[C@@](O)(C[NH+](C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000895009527 591520335 /nfs/dbraw/zinc/52/03/35/591520335.db2.gz BNUMOOSULYPPMH-CQSZACIVSA-N 1 0 329.784 1.760 20 5 EDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841241388 591571883 /nfs/dbraw/zinc/57/18/83/591571883.db2.gz MFTNJKCCEPTTMI-XVKPBYJWSA-N 1 0 326.740 1.135 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)cn1 ZINC000897814702 591664184 /nfs/dbraw/zinc/66/41/84/591664184.db2.gz ZCBHISFEALRTNE-NMNMXBMNSA-N 1 0 330.388 1.724 20 5 EDBDRO C[C@@H](Nc1c2cc(F)ccc2ncc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895249987 591678801 /nfs/dbraw/zinc/67/88/01/591678801.db2.gz YYQWGFFEAAKFMF-BDJLRTHQSA-N 1 0 347.394 1.750 20 5 EDBDRO C[C@H](Nc1c2cc(F)ccc2ncc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895249989 591678851 /nfs/dbraw/zinc/67/88/51/591678851.db2.gz YYQWGFFEAAKFMF-MEDUHNTESA-N 1 0 347.394 1.750 20 5 EDBDRO Cc1cccc(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)c1[N+](=O)[O-] ZINC000898124348 591790375 /nfs/dbraw/zinc/79/03/75/591790375.db2.gz LGBIERYBUSOSRU-UHFFFAOYSA-N 1 0 347.415 1.870 20 5 EDBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000909612546 591854386 /nfs/dbraw/zinc/85/43/86/591854386.db2.gz MZNCWUQHGSQGKA-UHFFFAOYSA-N 1 0 344.371 1.765 20 5 EDBDRO C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC[C@H]1C[NH3+] ZINC000900380180 592002084 /nfs/dbraw/zinc/00/20/84/592002084.db2.gz FZOKUMPGKJIJTA-MNOVXSKESA-N 1 0 333.392 1.206 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000902709500 592048754 /nfs/dbraw/zinc/04/87/54/592048754.db2.gz SDDHABVCDNDTHO-OLZOCXBDSA-N 1 0 346.387 1.252 20 5 EDBDRO C[C@H]([NH2+]C[C@@]1(CO)COCCN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903276742 592149712 /nfs/dbraw/zinc/14/97/12/592149712.db2.gz BOWIFOAKKSBEQA-XHDPSFHLSA-N 1 0 327.356 1.078 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)cc([N+](=O)[O-])c1F ZINC000903593870 592237508 /nfs/dbraw/zinc/23/75/08/592237508.db2.gz YBXOLWKABAQURJ-CQSZACIVSA-N 1 0 343.380 1.559 20 5 EDBDRO CC[C@H](NC(=O)C1CN(C)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000906916212 592424663 /nfs/dbraw/zinc/42/46/63/592424663.db2.gz WZCCWSWEOHJOAG-INIZCTEOSA-N 1 0 334.420 1.656 20 5 EDBDRO CN1CC[N@H+](C)CC(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000907062526 592500927 /nfs/dbraw/zinc/50/09/27/592500927.db2.gz SGRMXVMFOWXWQW-UHFFFAOYSA-N 1 0 346.431 1.579 20 5 EDBDRO CC[NH+]1CCC(NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC1 ZINC000905380874 592513196 /nfs/dbraw/zinc/51/31/96/592513196.db2.gz MVLGAVMZRSFIQW-UHFFFAOYSA-N 1 0 349.387 1.970 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCSC3(CCC3)C2)c1 ZINC000905599735 592587468 /nfs/dbraw/zinc/58/74/68/592587468.db2.gz AXLPNYNPMLETMC-DGCLKSJQSA-N 1 0 326.422 1.560 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000906637037 592864209 /nfs/dbraw/zinc/86/42/09/592864209.db2.gz XEOGFBQCWRDDTJ-AWEZNQCLSA-N 1 0 335.408 1.338 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000731019905 592920286 /nfs/dbraw/zinc/92/02/86/592920286.db2.gz LWFQZKRNJPHWRP-CQSZACIVSA-N 1 0 343.387 1.545 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC000912151567 593066177 /nfs/dbraw/zinc/06/61/77/593066177.db2.gz YTJOHQQYVNJZNW-BXUZGUMPSA-N 1 0 327.768 1.320 20 5 EDBDRO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CC([NH+]2CCCC2)C1 ZINC000912321413 593086659 /nfs/dbraw/zinc/08/66/59/593086659.db2.gz HLERABGVMKAYKJ-UHFFFAOYSA-N 1 0 341.371 1.905 20 5 EDBDRO COC(=O)[C@H]1CSCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839672538 593367561 /nfs/dbraw/zinc/36/75/61/593367561.db2.gz VYTUDVZCRROASH-TZMCWYRMSA-N 1 0 340.401 1.466 20 5 EDBDRO CS[C@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000804579560 593425855 /nfs/dbraw/zinc/42/58/55/593425855.db2.gz XUOOTPKUKIGBTP-RYUDHWBXSA-N 1 0 326.378 1.985 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000812343882 593499478 /nfs/dbraw/zinc/49/94/78/593499478.db2.gz RJYCXSKZAQILNM-KGLIPLIRSA-N 1 0 332.404 1.807 20 5 EDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000818474317 593698911 /nfs/dbraw/zinc/69/89/11/593698911.db2.gz BAILHHDYPLCNLS-YOGCLGLASA-N 1 0 347.371 1.850 20 5 EDBDRO C[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000820280319 593805750 /nfs/dbraw/zinc/80/57/50/593805750.db2.gz DJLVFOFTQHFJSE-LLVKDONJSA-N 1 0 346.395 1.704 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000820459447 593820026 /nfs/dbraw/zinc/82/00/26/593820026.db2.gz SACZXFXPOWSPES-HUUCEWRRSA-N 1 0 334.376 1.112 20 5 EDBDRO COC[C@@](C)(O)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000824559236 594038294 /nfs/dbraw/zinc/03/82/94/594038294.db2.gz LVVPFTAGLQRVSX-KRWDZBQOSA-N 1 0 337.420 1.941 20 5 EDBDRO CN1CCN(c2cc[nH+]cc2NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000822721625 594091512 /nfs/dbraw/zinc/09/15/12/594091512.db2.gz WUPCEBRISBKRSR-UHFFFAOYSA-N 1 0 335.408 1.607 20 5 EDBDRO O=C(NC[C@H]1C[NH2+]CCCO1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000825183872 594143504 /nfs/dbraw/zinc/14/35/04/594143504.db2.gz RMUQNHCFMIXRMS-CQSZACIVSA-N 1 0 348.403 1.303 20 5 EDBDRO O=C(NC1CC[NH+](CC2CC2)CC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825359656 594172969 /nfs/dbraw/zinc/17/29/69/594172969.db2.gz ONWNBDOBHWZFEY-MRXNPFEDSA-N 1 0 333.388 1.619 20 5 EDBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCC[N@H+]1CC[C@H](O)C1 ZINC000827750083 594271533 /nfs/dbraw/zinc/27/15/33/594271533.db2.gz YZFPYBQRYOUIFM-NSHDSACASA-N 1 0 341.795 1.364 20 5 EDBDRO COc1c[nH+]ccc1N1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000831024203 594540560 /nfs/dbraw/zinc/54/05/60/594540560.db2.gz KGAQVJZRPYVYAB-UHFFFAOYSA-N 1 0 336.392 1.574 20 5 EDBDRO Nc1c(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC000826948708 594608103 /nfs/dbraw/zinc/60/81/03/594608103.db2.gz BGTPURFJZTYSPZ-MRVPVSSYSA-N 1 0 342.758 1.890 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827340346 594662677 /nfs/dbraw/zinc/66/26/77/594662677.db2.gz ZGMHXGPZBMDIOZ-KGLIPLIRSA-N 1 0 333.388 1.916 20 5 EDBDRO CCO[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1OC)C[NH+](C)C ZINC000831717516 594695639 /nfs/dbraw/zinc/69/56/39/594695639.db2.gz CRLOKKCZXRHMHF-LLVKDONJSA-N 1 0 325.365 1.300 20 5 EDBDRO CCO[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1)C[NH+](C)C ZINC000831718566 594695813 /nfs/dbraw/zinc/69/58/13/594695813.db2.gz NBKYXHXKGMNAJX-CQSZACIVSA-N 1 0 339.392 1.365 20 5 EDBDRO CCO[C@@H](CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000831751699 594699552 /nfs/dbraw/zinc/69/95/52/594699552.db2.gz PSWBKAFFKBNJHR-ZDUSSCGKSA-N 1 0 339.392 1.229 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[NH+](C)C ZINC000832399914 594747509 /nfs/dbraw/zinc/74/75/09/594747509.db2.gz HKQJCDFUEQLTJN-ZETCQYMHSA-N 1 0 339.776 1.616 20 5 EDBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000841150315 594858848 /nfs/dbraw/zinc/85/88/48/594858848.db2.gz CFZVIYRCCGZBKK-SECBINFHSA-N 1 0 326.740 1.055 20 5 EDBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000841150316 594859059 /nfs/dbraw/zinc/85/90/59/594859059.db2.gz CFZVIYRCCGZBKK-VIFPVBQESA-N 1 0 326.740 1.055 20 5 EDBDRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841192709 594866243 /nfs/dbraw/zinc/86/62/43/594866243.db2.gz WJYZLQCPUOOILR-UHFFFAOYSA-N 1 0 342.783 1.630 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000841201131 594867322 /nfs/dbraw/zinc/86/73/22/594867322.db2.gz QZBBSFHPHCKPNG-PSASIEDQSA-N 1 0 338.339 1.177 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841231399 594873381 /nfs/dbraw/zinc/87/33/81/594873381.db2.gz QOVCCGFYSJVYAG-KWQFWETISA-N 1 0 340.767 1.443 20 5 EDBDRO O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000841261651 594877672 /nfs/dbraw/zinc/87/76/72/594877672.db2.gz IOVWDTITIVHPKZ-PELKAZGASA-N 1 0 338.751 1.007 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C(C)C ZINC000867146675 594888684 /nfs/dbraw/zinc/88/86/84/594888684.db2.gz WYYLXVCEZWATLT-UHFFFAOYSA-N 1 0 335.451 1.973 20 5 EDBDRO [NH3+]CCNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841919926 594981984 /nfs/dbraw/zinc/98/19/84/594981984.db2.gz CDRQCNFBHCAINO-UHFFFAOYSA-N 1 0 343.181 1.384 20 5 EDBDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000842224203 595044422 /nfs/dbraw/zinc/04/44/22/595044422.db2.gz DCDAODKZFAHDKM-UHFFFAOYSA-N 1 0 340.767 1.397 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000843454240 595116703 /nfs/dbraw/zinc/11/67/03/595116703.db2.gz OVVHRIVPHNRSIU-HNNXBMFYSA-N 1 0 336.348 1.931 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000842481432 595117519 /nfs/dbraw/zinc/11/75/19/595117519.db2.gz IWQJIKODJNZFHU-SNVBAGLBSA-N 1 0 347.824 1.977 20 5 EDBDRO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000842625537 595147638 /nfs/dbraw/zinc/14/76/38/595147638.db2.gz KZTBEBLWKHPTLK-RISCZKNCSA-N 1 0 346.343 1.480 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000842720617 595179931 /nfs/dbraw/zinc/17/99/31/595179931.db2.gz YEVFKHPRQSNPQY-GXSJLCMTSA-N 1 0 347.824 1.914 20 5 EDBDRO CC(C)[NH+]1CCC(NC(=O)COC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000837922238 595227809 /nfs/dbraw/zinc/22/78/09/595227809.db2.gz CXABRFKXGCSECY-UHFFFAOYSA-N 1 0 343.424 1.354 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843050143 595274479 /nfs/dbraw/zinc/27/44/79/595274479.db2.gz DWMVTPADJWMHPB-UHFFFAOYSA-N 1 0 338.364 1.177 20 5 EDBDRO CC(C)[C@@H]([NH3+])c1noc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)n1 ZINC000843152831 595296614 /nfs/dbraw/zinc/29/66/14/595296614.db2.gz SSUXEXFIKZDOCP-CYBMUJFWSA-N 1 0 348.363 1.633 20 5 EDBDRO CC(C)[C@H]([NH3+])c1noc(-c2cn(-c3cccc([N+](=O)[O-])c3)nn2)n1 ZINC000843153566 595296775 /nfs/dbraw/zinc/29/67/75/595296775.db2.gz WOGIRFRNFBVVCQ-LBPRGKRZSA-N 1 0 329.320 1.881 20 5 EDBDRO CNc1nccc(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000848032337 595307732 /nfs/dbraw/zinc/30/77/32/595307732.db2.gz GSMMVZLUUYQYQP-UHFFFAOYSA-N 1 0 347.419 1.980 20 5 EDBDRO CCN1C[C@@H](C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)OC1=O ZINC000846826342 595321962 /nfs/dbraw/zinc/32/19/62/595321962.db2.gz OFTPSDDSAGYIHP-WCQYABFASA-N 1 0 335.364 1.317 20 5 EDBDRO COC(=O)[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C1CC1 ZINC000844478866 595348976 /nfs/dbraw/zinc/34/89/76/595348976.db2.gz TZWHOWTVSZDZFO-XHSDSOJGSA-N 1 0 334.372 1.759 20 5 EDBDRO C[C@@H]1[C@H](C)N(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H](C)C[N@@H+]1C ZINC000844643242 595366815 /nfs/dbraw/zinc/36/68/15/595366815.db2.gz HYPRYUUOROLRBT-XQQFMLRXSA-N 1 0 345.403 1.884 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000844843258 595402231 /nfs/dbraw/zinc/40/22/31/595402231.db2.gz XOFCLSXMPAOXOZ-WCXIOVBPSA-N 1 0 345.399 1.154 20 5 EDBDRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000848601687 595416343 /nfs/dbraw/zinc/41/63/43/595416343.db2.gz GQVMSGGLNDPADE-UHFFFAOYSA-N 1 0 343.380 1.626 20 5 EDBDRO C[NH2+]C[C@H]1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857765399 595600199 /nfs/dbraw/zinc/60/01/99/595600199.db2.gz QBYURLMIGPDETG-SNVBAGLBSA-N 1 0 329.303 1.634 20 5 EDBDRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000850855470 595655429 /nfs/dbraw/zinc/65/54/29/595655429.db2.gz ZNDTYVZEAKEZNW-UHFFFAOYSA-N 1 0 338.751 1.055 20 5 EDBDRO Cc1cc(F)cc(C(=O)NCCN(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000855414404 595704493 /nfs/dbraw/zinc/70/44/93/595704493.db2.gz CTNRNRAESYNKQN-UHFFFAOYSA-N 1 0 340.399 1.656 20 5 EDBDRO CCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@H+](CC)C1 ZINC000855490600 595726938 /nfs/dbraw/zinc/72/69/38/595726938.db2.gz MKNLDWCLEYZURZ-HNNXBMFYSA-N 1 0 345.403 1.887 20 5 EDBDRO CN(CC1C[NH+](C)C1)C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000855638385 595775384 /nfs/dbraw/zinc/77/53/84/595775384.db2.gz DUXXKQCFDCEFRJ-UHFFFAOYSA-N 1 0 336.348 1.456 20 5 EDBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000853561320 595805157 /nfs/dbraw/zinc/80/51/57/595805157.db2.gz ZBAIZTZKJHSXAR-MRXNPFEDSA-N 1 0 329.404 1.998 20 5 EDBDRO Cc1noc(CONC(=[NH2+])CN(C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000853719209 595862809 /nfs/dbraw/zinc/86/28/09/595862809.db2.gz JRVMRGZGAFPYGX-UHFFFAOYSA-N 1 0 343.340 1.757 20 5 EDBDRO C[NH+](C)CCC[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CCO1 ZINC000853989865 595943991 /nfs/dbraw/zinc/94/39/91/595943991.db2.gz GTAXOSZHIZYCCR-CYBMUJFWSA-N 1 0 333.392 1.790 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)OC[C@]1(C)C[C@@H](OC)C[N@@H+]1C ZINC000861344421 595951740 /nfs/dbraw/zinc/95/17/40/595951740.db2.gz PAIZBOWFZFFZGG-WBMJQRKESA-N 1 0 338.360 1.869 20 5 EDBDRO CO[C@H]1CC[C@H]([NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000852094291 596042149 /nfs/dbraw/zinc/04/21/49/596042149.db2.gz XKQXHFSZEOHCAE-KBPBESRZSA-N 1 0 333.388 1.920 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)c1 ZINC000859585803 596139417 /nfs/dbraw/zinc/13/94/17/596139417.db2.gz CTUKAYKTXFSCIR-SJORKVTESA-N 1 0 346.387 1.136 20 5 EDBDRO O=C1OC[C@@]2(C[NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)COCCN12 ZINC000866522571 596240313 /nfs/dbraw/zinc/24/03/13/596240313.db2.gz WPJLPBMVBPULOT-NVXWUHKLSA-N 1 0 347.371 1.783 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[NH2+]CCC1(C)C ZINC000866803388 596355220 /nfs/dbraw/zinc/35/52/20/596355220.db2.gz FJFOIBAEGWKUED-UHFFFAOYSA-N 1 0 341.433 1.974 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c1[N+](=O)[O-] ZINC000866824481 596366582 /nfs/dbraw/zinc/36/65/82/596366582.db2.gz MKBQQRXBJOTCQI-OLZOCXBDSA-N 1 0 339.417 1.727 20 5 EDBDRO COCC[N@H+]1[C@H](C)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000121929934 596627680 /nfs/dbraw/zinc/62/76/80/596627680.db2.gz UMTOIXDRQIIVFE-OKILXGFUSA-N 1 0 335.404 1.705 20 5 EDBDRO CCOC1CC2(C[C@H]2[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000872250835 596854038 /nfs/dbraw/zinc/85/40/38/596854038.db2.gz LEOGKVLGAQFKIZ-MHABSNSOSA-N 1 0 336.388 1.882 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000872261694 596858992 /nfs/dbraw/zinc/85/89/92/596858992.db2.gz VIJDBSSGAKNIKM-MRXNPFEDSA-N 1 0 335.360 1.522 20 5 EDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000866351832 596863842 /nfs/dbraw/zinc/86/38/42/596863842.db2.gz RTTWDXZXMZSUIS-KWCYVHTRSA-N 1 0 326.368 1.900 20 5 EDBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)COC)cc([N+](=O)[O-])c2)CC1 ZINC000876231327 597146553 /nfs/dbraw/zinc/14/65/53/597146553.db2.gz TVHNLEYHAYUWBY-UHFFFAOYSA-N 1 0 336.392 1.346 20 5 EDBDRO O=C([C@@H](F)[C@@H]1CC[NH2+]C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000876732205 597311618 /nfs/dbraw/zinc/31/16/18/597311618.db2.gz ZHLUJJJXTPRGIX-DOMZBBRYSA-N 1 0 336.367 1.191 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000876854276 597359732 /nfs/dbraw/zinc/35/97/32/597359732.db2.gz SZWAZGJTCGSEDO-CQSZACIVSA-N 1 0 332.404 1.331 20 5 EDBDRO CCO[C@@H]1C[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)[C@@]12CCCO2 ZINC000877345504 597497181 /nfs/dbraw/zinc/49/71/81/597497181.db2.gz FFVGUILLECHOML-IYKNYXLFSA-N 1 0 336.392 1.811 20 5 EDBDRO COc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000877366210 597502176 /nfs/dbraw/zinc/50/21/76/597502176.db2.gz JMJFEHYPIUPRSO-NXEZZACHSA-N 1 0 347.293 1.813 20 5 EDBDRO C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)[NH+]1CCCC1 ZINC000878202617 597586656 /nfs/dbraw/zinc/58/66/56/597586656.db2.gz DNBGECCIPLJLKQ-GFCCVEGCSA-N 1 0 349.387 1.970 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC[N@@H+]1C ZINC000878960580 597767527 /nfs/dbraw/zinc/76/75/27/597767527.db2.gz NLAZYVJGQBMAFJ-VXGBXAGGSA-N 1 0 349.387 1.969 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+]CCC12CCC2 ZINC000883478537 597767553 /nfs/dbraw/zinc/76/75/53/597767553.db2.gz MWHWRQJAMBXERI-UHFFFAOYSA-N 1 0 339.417 1.810 20 5 EDBDRO CO[C@@H]1COCC[C@H]1[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000880431848 597932687 /nfs/dbraw/zinc/93/26/87/597932687.db2.gz HLXPAPDWNFUMMQ-WOSRLPQWSA-N 1 0 340.376 1.070 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H]2CCOC[C@@H]2OC)c1 ZINC000880436459 597934271 /nfs/dbraw/zinc/93/42/71/597934271.db2.gz WKSHHARYQVENGU-GJZGRUSLSA-N 1 0 338.360 1.617 20 5 EDBDRO O=C(CC[NH+]1CCC2(CC1)COCCO2)Nc1ccc([N+](=O)[O-])cc1 ZINC000880545174 597960235 /nfs/dbraw/zinc/96/02/35/597960235.db2.gz TUDCVGRPPPSMKG-UHFFFAOYSA-N 1 0 349.387 1.805 20 5 EDBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ccc([N+](=O)[O-])cc3C(=O)NC3CC3)C[C@H]21 ZINC000882424745 597961239 /nfs/dbraw/zinc/96/12/39/597961239.db2.gz LZJAUAVPQXAAMW-FOLVSLTJSA-N 1 0 330.388 1.483 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000920044675 697385999 /nfs/dbraw/zinc/38/59/99/697385999.db2.gz PVVICZZMNZDJAX-UWVGGRQHSA-N 1 0 331.419 1.561 20 5 EDBDRO Cc1ccc(C)c(OCC[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001031660340 697434624 /nfs/dbraw/zinc/43/46/24/697434624.db2.gz GHPYIXXOSAUXRF-HZPDHXFCSA-N 1 0 347.415 1.395 20 5 EDBDRO Cc1cccc(CCC[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001031662533 697439356 /nfs/dbraw/zinc/43/93/56/697439356.db2.gz GPWCUOUZGNJWIY-IAGOWNOFSA-N 1 0 331.416 1.641 20 5 EDBDRO O=C(NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)c1cnon1 ZINC001001960263 708475449 /nfs/dbraw/zinc/47/54/49/708475449.db2.gz XZDWZCMVPZKCGS-UHFFFAOYSA-N 1 0 345.359 1.620 20 5 EDBDRO Cc1ncccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001034642353 710318163 /nfs/dbraw/zinc/31/81/63/710318163.db2.gz BTGSBVBRAAWACS-KLHDSHLOSA-N 1 0 332.404 1.572 20 5 EDBDRO CCO[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1C)C[NH+](C)C ZINC000922168033 710324847 /nfs/dbraw/zinc/32/48/47/710324847.db2.gz JOWMVAJGZREUBD-AWEZNQCLSA-N 1 0 338.408 1.669 20 5 EDBDRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000052134305 214119318 /nfs/dbraw/zinc/11/93/18/214119318.db2.gz CHIVVXOINGKVRS-CQSZACIVSA-N 1 0 341.433 1.889 20 5 EDBDRO O=C(CC[NH2+]Cc1nnc2ccccn21)Nc1ccccc1[N+](=O)[O-] ZINC000558573442 306240077 /nfs/dbraw/zinc/24/00/77/306240077.db2.gz VTPGJJLQTUCNNJ-UHFFFAOYSA-N 1 0 340.343 1.756 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000175104017 231385301 /nfs/dbraw/zinc/38/53/01/231385301.db2.gz HYYNVLCUMHVMKP-GFCCVEGCSA-N 1 0 327.406 1.536 20 5 EDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000180838381 529804391 /nfs/dbraw/zinc/80/43/91/529804391.db2.gz CNHNJVKHOJJJLG-SECBINFHSA-N 1 0 329.303 1.878 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178574983 232266028 /nfs/dbraw/zinc/26/60/28/232266028.db2.gz USXOITJVZPJRJQ-WFASDCNBSA-N 1 0 333.392 1.267 20 5 EDBDRO CC(C)[NH+]1CCC(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000068233528 215293226 /nfs/dbraw/zinc/29/32/26/215293226.db2.gz LVKQMIBRJGCIGU-UHFFFAOYSA-N 1 0 349.387 1.775 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000104076117 219345353 /nfs/dbraw/zinc/34/53/53/219345353.db2.gz BLCJHAHFSWQBRS-STQMWFEESA-N 1 0 348.403 1.818 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC1(C)CC[NH2+]CC1 ZINC000181225424 234123709 /nfs/dbraw/zinc/12/37/09/234123709.db2.gz SIUXMSMEPVEWQK-UHFFFAOYSA-N 1 0 327.406 1.571 20 5 EDBDRO Cc1csc([C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)n1 ZINC000181619367 234253926 /nfs/dbraw/zinc/25/39/26/234253926.db2.gz LTILYORHLHCDMC-QWHCGFSZSA-N 1 0 337.405 1.658 20 5 EDBDRO C[S@@](=O)C1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000563003266 306315682 /nfs/dbraw/zinc/31/56/82/306315682.db2.gz QBEVQXYCRZVLDZ-SFDCACGMSA-N 1 0 342.417 1.225 20 5 EDBDRO C[NH+]1CCN(CCNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000039956589 213245649 /nfs/dbraw/zinc/24/56/49/213245649.db2.gz KUSMFRBHCWCNJJ-UHFFFAOYSA-N 1 0 344.213 1.412 20 5 EDBDRO CCOc1cc(C(=O)N[C@H]2CC[N@H+](CC)C2)c([N+](=O)[O-])cc1OC ZINC000412853311 304042160 /nfs/dbraw/zinc/04/21/60/304042160.db2.gz SZUNLSVLMAALHC-NSHDSACASA-N 1 0 337.376 1.826 20 5 EDBDRO CC[NH+]1CCN([C@H](C)CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000046946169 138118511 /nfs/dbraw/zinc/11/85/11/138118511.db2.gz PQCZIQIKCVXBMO-CQSZACIVSA-N 1 0 334.420 1.280 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2ccccc2)cc1 ZINC000065977925 138175735 /nfs/dbraw/zinc/17/57/35/138175735.db2.gz CQSZOIZVXPMFPW-UHFFFAOYSA-N 1 0 335.385 1.663 20 5 EDBDRO Cc1c(CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000104070287 138299519 /nfs/dbraw/zinc/29/95/19/138299519.db2.gz KSNDFRAKFXYSLX-KRWDZBQOSA-N 1 0 346.431 1.817 20 5 EDBDRO O=C([C@H]1CCn2ccnc2C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000119449131 138314264 /nfs/dbraw/zinc/31/42/64/138314264.db2.gz RACDSUYPYIRXRB-ZDUSSCGKSA-N 1 0 326.356 1.939 20 5 EDBDRO Cc1nc(Sc2nnnn2C[C@@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000131979336 138369050 /nfs/dbraw/zinc/36/90/50/138369050.db2.gz PMFGVBFZNQSWCO-SNVBAGLBSA-N 1 0 335.393 1.388 20 5 EDBDRO Cc1cc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000186922073 236064971 /nfs/dbraw/zinc/06/49/71/236064971.db2.gz WGYPSMDFXRHCNP-ZDUSSCGKSA-N 1 0 335.404 1.820 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)C[C@@H]12 ZINC000186942544 236072660 /nfs/dbraw/zinc/07/26/60/236072660.db2.gz CJZKBWGTDUXSLT-YNEHKIRRSA-N 1 0 341.371 1.590 20 5 EDBDRO Cc1c(CC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000186957248 236078600 /nfs/dbraw/zinc/07/86/00/236078600.db2.gz UQRRCBJTYQADPW-ZDUSSCGKSA-N 1 0 349.431 1.749 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000564838434 306366332 /nfs/dbraw/zinc/36/63/32/306366332.db2.gz SZDGPGPYYUWKRT-CHWSQXEVSA-N 1 0 348.403 1.241 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000072858410 216318703 /nfs/dbraw/zinc/31/87/03/216318703.db2.gz NTMIGDUHGWHIHO-CQSZACIVSA-N 1 0 334.420 1.831 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000565715630 306389766 /nfs/dbraw/zinc/38/97/66/306389766.db2.gz IHEKAXATDQISMG-GWCFXTLKSA-N 1 0 327.406 1.515 20 5 EDBDRO C[C@H]1CCCN(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000565853191 306393488 /nfs/dbraw/zinc/39/34/88/306393488.db2.gz BBLNFVORPZDYJN-GJZGRUSLSA-N 1 0 337.420 1.656 20 5 EDBDRO CC(C)NS(=O)(=O)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192977748 138958179 /nfs/dbraw/zinc/95/81/79/138958179.db2.gz LNHJBYGEXBWNOO-OAHLLOKOSA-N 1 0 341.433 1.890 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000567147077 306439568 /nfs/dbraw/zinc/43/95/68/306439568.db2.gz MNNGSYIJQNHSNQ-DOMZBBRYSA-N 1 0 336.392 1.885 20 5 EDBDRO CC(C)NC(=O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236642612 139027568 /nfs/dbraw/zinc/02/75/68/139027568.db2.gz ODQXZFGLHOUDIY-UHFFFAOYSA-N 1 0 331.376 1.610 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245420711 139073566 /nfs/dbraw/zinc/07/35/66/139073566.db2.gz HRFDXRXKYBCXBJ-WFASDCNBSA-N 1 0 334.420 1.856 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000415289163 304186465 /nfs/dbraw/zinc/18/64/65/304186465.db2.gz AZZUKHYJDXZVOR-UHFFFAOYSA-N 1 0 348.403 1.928 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000246283197 139102292 /nfs/dbraw/zinc/10/22/92/139102292.db2.gz VSLCCXIRZASYBI-BXUZGUMPSA-N 1 0 327.406 1.556 20 5 EDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000246452495 139109088 /nfs/dbraw/zinc/10/90/88/139109088.db2.gz ONUBCDGPFMNRJV-GXTWGEPZSA-N 1 0 338.412 1.163 20 5 EDBDRO COc1cccc([C@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000246735539 139119508 /nfs/dbraw/zinc/11/95/08/139119508.db2.gz NNJLGDKIPJMWAA-NVXWUHKLSA-N 1 0 346.387 1.998 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246744396 139119902 /nfs/dbraw/zinc/11/99/02/139119902.db2.gz PSRKGZIVTAJYTA-SWLSCSKDSA-N 1 0 341.433 1.697 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000248649605 139170148 /nfs/dbraw/zinc/17/01/48/139170148.db2.gz UNDKXPLELPTYJV-DRZSPHRISA-N 1 0 325.390 1.261 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc([N+](=O)[O-])c1OC ZINC000261815559 139228454 /nfs/dbraw/zinc/22/84/54/139228454.db2.gz NSSVYCKYHYOYQM-TXEJJXNPSA-N 1 0 349.387 1.684 20 5 EDBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261849774 139231359 /nfs/dbraw/zinc/23/13/59/139231359.db2.gz JJSXTLGHGFRYAG-GFCCVEGCSA-N 1 0 338.795 1.368 20 5 EDBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261921969 139237208 /nfs/dbraw/zinc/23/72/08/139237208.db2.gz RRXKBEKGHVBNMD-NSHDSACASA-N 1 0 338.795 1.368 20 5 EDBDRO COC[C@@]1(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261949456 139239303 /nfs/dbraw/zinc/23/93/03/139239303.db2.gz WCSDDQUZONFAMA-AWEZNQCLSA-N 1 0 343.405 1.179 20 5 EDBDRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000261964714 139240325 /nfs/dbraw/zinc/24/03/25/139240325.db2.gz AXGGEAWMHLYXJJ-AWEZNQCLSA-N 1 0 336.392 1.046 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000262005553 139243380 /nfs/dbraw/zinc/24/33/80/139243380.db2.gz VSNAYOVVFMEZGB-VXGBXAGGSA-N 1 0 327.406 1.651 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000262051217 139246742 /nfs/dbraw/zinc/24/67/42/139246742.db2.gz CVVLDZIYCTTXCR-DDTOSNHZSA-N 1 0 325.390 1.343 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C1(n2cccn2)CC[NH2+]CC1 ZINC000262325334 139270216 /nfs/dbraw/zinc/27/02/16/139270216.db2.gz RUIMNIKKHQSZHA-UHFFFAOYSA-N 1 0 343.387 1.229 20 5 EDBDRO Cc1ccc(NCCCNC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000417715672 251239315 /nfs/dbraw/zinc/23/93/15/251239315.db2.gz KOFBACQCBVBNRB-OLZOCXBDSA-N 1 0 335.408 1.694 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)cc1C ZINC000262546745 139285683 /nfs/dbraw/zinc/28/56/83/139285683.db2.gz RVBVMXMVCRKCFX-GFCCVEGCSA-N 1 0 327.406 1.632 20 5 EDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000262745127 139300632 /nfs/dbraw/zinc/30/06/32/139300632.db2.gz DMVQURSHWXXPDV-MRVPVSSYSA-N 1 0 335.357 1.019 20 5 EDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000152895266 224028747 /nfs/dbraw/zinc/02/87/47/224028747.db2.gz FPFSMQYJAQILBI-INIZCTEOSA-N 1 0 338.408 1.216 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CCC[NH2+]C)cc1OC ZINC000424033905 252121370 /nfs/dbraw/zinc/12/13/70/252121370.db2.gz PPSJQXLIDOTANB-UHFFFAOYSA-N 1 0 325.365 1.684 20 5 EDBDRO O=C(NCCCN1CC[NH2+]CC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415628094 304242447 /nfs/dbraw/zinc/24/24/47/304242447.db2.gz DLDVWCVXBLNTAC-UHFFFAOYSA-N 1 0 325.344 1.151 20 5 EDBDRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415680772 304255092 /nfs/dbraw/zinc/25/50/92/304255092.db2.gz SBUGHOWUZQRQHH-SNVBAGLBSA-N 1 0 338.339 1.260 20 5 EDBDRO CC[N@@H+]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000487759329 255034730 /nfs/dbraw/zinc/03/47/30/255034730.db2.gz XZECCCZPSSMNCT-SNVBAGLBSA-N 1 0 327.331 1.968 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)CCCC[NH3+] ZINC000494673425 255257220 /nfs/dbraw/zinc/25/72/20/255257220.db2.gz LEINOGAVYLECEQ-ZYHUDNBSSA-N 1 0 340.428 1.461 20 5 EDBDRO CC(C)[NH+]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000117335093 221055123 /nfs/dbraw/zinc/05/51/23/221055123.db2.gz IJKXELVGZQRFGY-UHFFFAOYSA-N 1 0 348.403 1.919 20 5 EDBDRO Cc1nn(CCC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000119352802 221301166 /nfs/dbraw/zinc/30/11/66/221301166.db2.gz QADIDHVJGLTRMW-HUUCEWRRSA-N 1 0 349.435 1.741 20 5 EDBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000347378611 533406652 /nfs/dbraw/zinc/40/66/52/533406652.db2.gz POONFWBYEPBTJO-FMIVXFBMSA-N 1 0 344.371 1.672 20 5 EDBDRO C[NH+]1CCN(c2cc(CNC(=O)c3ccc([N+](=O)[O-])o3)ccn2)CC1 ZINC000048336198 132429066 /nfs/dbraw/zinc/42/90/66/132429066.db2.gz NWCGMYJXNWSXSO-UHFFFAOYSA-N 1 0 345.359 1.265 20 5 EDBDRO Nc1c(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)cccc1[N+](=O)[O-] ZINC000269164294 139886517 /nfs/dbraw/zinc/88/65/17/139886517.db2.gz OUZVZLHWOHYQGL-UHFFFAOYSA-N 1 0 342.359 1.234 20 5 EDBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1[N+](=O)[O-] ZINC000270681073 140147015 /nfs/dbraw/zinc/14/70/15/140147015.db2.gz QBFMFVHCJLXEQU-CYBMUJFWSA-N 1 0 339.367 1.701 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000270721672 140155601 /nfs/dbraw/zinc/15/56/01/140155601.db2.gz ACCAIOPRJYMLKA-UHFFFAOYSA-N 1 0 333.348 1.521 20 5 EDBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000271334111 140280210 /nfs/dbraw/zinc/28/02/10/140280210.db2.gz RWTUDTMRYGDSHI-ONGXEEELSA-N 1 0 347.400 1.908 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000318962290 140658161 /nfs/dbraw/zinc/65/81/61/140658161.db2.gz WTSHJGVWBXNGLK-JTQLQIEISA-N 1 0 329.378 1.024 20 5 EDBDRO C[NH+](C)C1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000331149488 140988085 /nfs/dbraw/zinc/98/80/85/140988085.db2.gz TYRNMFLLLJIZKX-UHFFFAOYSA-N 1 0 327.331 1.968 20 5 EDBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000331834117 141086566 /nfs/dbraw/zinc/08/65/66/141086566.db2.gz BPVWTQYAGIPWBU-FMKPAKJESA-N 1 0 336.388 1.965 20 5 EDBDRO CC[NH+]1C[C@H](C)N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000332247452 141146675 /nfs/dbraw/zinc/14/66/75/141146675.db2.gz KWTYTWKUDZUZEZ-KBPBESRZSA-N 1 0 346.431 1.898 20 5 EDBDRO CCOc1cc(C(=O)N[C@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000346177672 143175558 /nfs/dbraw/zinc/17/55/58/143175558.db2.gz GJVRKHCEGVHLEB-SNVBAGLBSA-N 1 0 325.365 1.682 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([N@H+](C)CCO)[C@@H]1C ZINC000347169184 143290367 /nfs/dbraw/zinc/29/03/67/143290367.db2.gz NIEWBGUMDMZXJR-SMDDNHRTSA-N 1 0 337.376 1.131 20 5 EDBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000347242749 143299298 /nfs/dbraw/zinc/29/92/98/143299298.db2.gz TYHLMRMRYHEFAD-NSHDSACASA-N 1 0 325.340 1.263 20 5 EDBDRO CC[NH+]1C[C@H](C)N(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000347695844 143350788 /nfs/dbraw/zinc/35/07/88/143350788.db2.gz ALSHNXSPHWUGPT-SOUVJXGZSA-N 1 0 337.420 1.749 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000408127493 292175369 /nfs/dbraw/zinc/17/53/69/292175369.db2.gz DSKAXNCNWGPGRY-LBPRGKRZSA-N 1 0 325.390 1.372 20 5 EDBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[C@H]1O ZINC000352658164 149105106 /nfs/dbraw/zinc/10/51/06/149105106.db2.gz DFCRZJZUDVOJCX-TZMCWYRMSA-N 1 0 335.360 1.738 20 5 EDBDRO C[C@H]1CSC[C@@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000352802124 149173045 /nfs/dbraw/zinc/17/30/45/149173045.db2.gz LONMQNKSNJLNFX-WPRPVWTQSA-N 1 0 339.373 1.603 20 5 EDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000353323466 149365407 /nfs/dbraw/zinc/36/54/07/149365407.db2.gz YWGANIDRWCCARX-AWEZNQCLSA-N 1 0 334.376 1.524 20 5 EDBDRO Cc1[nH]nc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1[N+](=O)[O-] ZINC000355344493 150225561 /nfs/dbraw/zinc/22/55/61/150225561.db2.gz RKAOGSNZTWFYKR-ZDUSSCGKSA-N 1 0 345.359 1.445 20 5 EDBDRO COC(=O)COc1ccc(C[NH+]2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000355586148 150325854 /nfs/dbraw/zinc/32/58/54/150325854.db2.gz SKVOHVGCHYHHAN-UHFFFAOYSA-N 1 0 338.360 1.757 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H](O)C1 ZINC000357567710 151069670 /nfs/dbraw/zinc/06/96/70/151069670.db2.gz IVFSTEIVPGONKV-SMDDNHRTSA-N 1 0 337.376 1.635 20 5 EDBDRO CO[C@H]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C[NH3+])C1 ZINC000359049804 151578410 /nfs/dbraw/zinc/57/84/10/151578410.db2.gz CIWDCDHWDJDCRX-KGLIPLIRSA-N 1 0 336.392 1.280 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000370090798 155320747 /nfs/dbraw/zinc/32/07/47/155320747.db2.gz HYTSKVZOCBDGFV-ZSBIGDGJSA-N 1 0 325.390 1.546 20 5 EDBDRO C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(C)(C)C[NH+](C)C ZINC000359826071 151835261 /nfs/dbraw/zinc/83/52/61/151835261.db2.gz HUAZLBIQVYXCPY-LLVKDONJSA-N 1 0 325.413 1.619 20 5 EDBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000361209577 152335907 /nfs/dbraw/zinc/33/59/07/152335907.db2.gz GTBHHPLAUWMMSU-HNNXBMFYSA-N 1 0 349.431 1.736 20 5 EDBDRO O=C(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cn1 ZINC000361257122 152346909 /nfs/dbraw/zinc/34/69/09/152346909.db2.gz HGLPDMLZLRTSIO-SWLSCSKDSA-N 1 0 334.376 1.221 20 5 EDBDRO CC[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C[C@@H](C)O ZINC000361265923 152349331 /nfs/dbraw/zinc/34/93/31/152349331.db2.gz LOHGHZHZLPBNRC-OLZOCXBDSA-N 1 0 347.419 1.748 20 5 EDBDRO COc1cc(Cl)ccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000574151150 306643516 /nfs/dbraw/zinc/64/35/16/306643516.db2.gz JESHEXPWSCPKQQ-ZDUSSCGKSA-N 1 0 340.767 1.604 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000417179648 304380960 /nfs/dbraw/zinc/38/09/60/304380960.db2.gz MKIXKVCKGXJQTG-LSDHHAIUSA-N 1 0 348.403 1.791 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000417211469 304384550 /nfs/dbraw/zinc/38/45/50/304384550.db2.gz AGMQMMOWHNXQCR-JKSUJKDBSA-N 1 0 332.404 1.825 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)cc1[N+](=O)[O-] ZINC000365708778 153596182 /nfs/dbraw/zinc/59/61/82/153596182.db2.gz BBRYMEVGTAABPQ-CNDDSTCGSA-N 1 0 325.390 1.546 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000367404371 154108696 /nfs/dbraw/zinc/10/86/96/154108696.db2.gz HKDNBPWGSHFOFG-JQWIXIFHSA-N 1 0 331.369 1.224 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000367883163 154311757 /nfs/dbraw/zinc/31/17/57/154311757.db2.gz AWVUFJGNFFRJRH-DOMZBBRYSA-N 1 0 339.417 1.748 20 5 EDBDRO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000371711882 156074252 /nfs/dbraw/zinc/07/42/52/156074252.db2.gz WUBTZEXDYYBECT-UUAJXVIYSA-N 1 0 329.400 1.678 20 5 EDBDRO CC1CCN(C(=O)CN2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000372288886 156315064 /nfs/dbraw/zinc/31/50/64/156315064.db2.gz MZAHOCWPHIPEKY-CQSZACIVSA-N 1 0 335.408 1.687 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373053098 156657589 /nfs/dbraw/zinc/65/75/89/156657589.db2.gz FBDCPZBAAMFLKQ-BXUZGUMPSA-N 1 0 326.356 1.967 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1c2ccccc2CC[C@@H]1CO ZINC000373810990 157014569 /nfs/dbraw/zinc/01/45/69/157014569.db2.gz CXSRMLDAMLLAFB-RDTXWAMCSA-N 1 0 343.383 1.642 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC([C@@H]3CCCOC3)CC2)c1 ZINC000378592375 158215690 /nfs/dbraw/zinc/21/56/90/158215690.db2.gz JSUYUVISQQHBII-ZBFHGGJFSA-N 1 0 338.408 1.291 20 5 EDBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000352534940 162237737 /nfs/dbraw/zinc/23/77/37/162237737.db2.gz ZJTQXURANCAFGV-HNNXBMFYSA-N 1 0 341.433 1.889 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366482503 162387197 /nfs/dbraw/zinc/38/71/97/162387197.db2.gz NHAWTSKKEWJMPR-KRWDZBQOSA-N 1 0 332.404 1.869 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)C2)c1C ZINC000120467420 287361458 /nfs/dbraw/zinc/36/14/58/287361458.db2.gz QMGFPCBNKNENHF-CYBMUJFWSA-N 1 0 341.433 1.832 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000160162512 225351691 /nfs/dbraw/zinc/35/16/91/225351691.db2.gz GJBFKXODVMCIOW-AWEZNQCLSA-N 1 0 329.422 1.945 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000123315856 222255791 /nfs/dbraw/zinc/25/57/91/222255791.db2.gz JKKPNXNSJHBYGD-ULKQDVFKSA-N 1 0 329.353 1.295 20 5 EDBDRO CCS(=O)(=O)N1CC(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000190156228 267789134 /nfs/dbraw/zinc/78/91/34/267789134.db2.gz DTWCPRBLMUXVIX-LLVKDONJSA-N 1 0 327.406 1.527 20 5 EDBDRO CCCCC[N@H+](CCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273283251 268013438 /nfs/dbraw/zinc/01/34/38/268013438.db2.gz DNTYAZREQDCQRK-AWEZNQCLSA-N 1 0 326.393 1.819 20 5 EDBDRO C[NH+]1CCC(O)(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273482873 268049687 /nfs/dbraw/zinc/04/96/87/268049687.db2.gz QVEDLNFIWDTYRU-UHFFFAOYSA-N 1 0 326.328 1.312 20 5 EDBDRO CC[NH+](CC)[C@@H]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000273487064 268050808 /nfs/dbraw/zinc/05/08/08/268050808.db2.gz OAWHANIPGWXFPZ-LLVKDONJSA-N 1 0 342.421 1.163 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc([N+](=O)[O-])c1 ZINC000274226238 268113899 /nfs/dbraw/zinc/11/38/99/268113899.db2.gz KEZRMFOUJYIVTB-KRWDZBQOSA-N 1 0 347.371 1.597 20 5 EDBDRO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCOC1 ZINC000274603764 268166483 /nfs/dbraw/zinc/16/64/83/268166483.db2.gz LUCAWMBHVCCXHQ-UWVGGRQHSA-N 1 0 337.332 1.277 20 5 EDBDRO COCCO[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000275553553 268359751 /nfs/dbraw/zinc/35/97/51/268359751.db2.gz NBQPUSTUXITXGD-GOEBONIOSA-N 1 0 340.376 1.072 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000277244544 268534227 /nfs/dbraw/zinc/53/42/27/268534227.db2.gz JODCXJMNPCMHRC-LBPRGKRZSA-N 1 0 335.360 1.880 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000276215775 273153625 /nfs/dbraw/zinc/15/36/25/273153625.db2.gz WPLIDPFHJLCKTL-LBPRGKRZSA-N 1 0 346.387 1.608 20 5 EDBDRO CC(C)NS(=O)(=O)NCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000276996408 273174996 /nfs/dbraw/zinc/17/49/96/273174996.db2.gz JCKHEAWJEQMRSG-FNORWQNLSA-N 1 0 342.421 1.030 20 5 EDBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C2)CC1 ZINC000278178677 273252449 /nfs/dbraw/zinc/25/24/49/273252449.db2.gz ZMVHOZQTURDFHE-LBPRGKRZSA-N 1 0 334.376 1.499 20 5 EDBDRO CCOc1cc(N2CC[NH+](C[C@H](O)COC)CC2)ccc1[N+](=O)[O-] ZINC000280324235 273357090 /nfs/dbraw/zinc/35/70/90/273357090.db2.gz YSCNHYXPATXBRB-AWEZNQCLSA-N 1 0 339.392 1.123 20 5 EDBDRO CCOc1cc(N2CC[NH+](C[C@@H](O)COC)CC2)ccc1[N+](=O)[O-] ZINC000280324237 273357102 /nfs/dbraw/zinc/35/71/02/273357102.db2.gz YSCNHYXPATXBRB-CQSZACIVSA-N 1 0 339.392 1.123 20 5 EDBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@H]1[NH+](C)C ZINC000282599445 273685670 /nfs/dbraw/zinc/68/56/70/273685670.db2.gz ABJCTJJCNMAHJE-CHWSQXEVSA-N 1 0 342.396 1.434 20 5 EDBDRO C[NH+](C)C1(CNC(=O)NCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000172221843 273790895 /nfs/dbraw/zinc/79/08/95/273790895.db2.gz QFVPIUUBOJNFFA-UHFFFAOYSA-N 1 0 336.392 1.505 20 5 EDBDRO CN(CC[NH+]1CCCC1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000103116916 273838119 /nfs/dbraw/zinc/83/81/19/273838119.db2.gz AXQRRFUBBGFJKP-UHFFFAOYSA-N 1 0 343.387 1.948 20 5 EDBDRO COC(=O)c1cc(N2CCN([C@@H]3CC[NH2+]C3)CC2)cc(C)c1[N+](=O)[O-] ZINC000420269728 274000066 /nfs/dbraw/zinc/00/00/66/274000066.db2.gz YEQOYMIYGQYSFC-CYBMUJFWSA-N 1 0 348.403 1.174 20 5 EDBDRO C[NH+](C)[C@@]1(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCSC1 ZINC000284458626 274209214 /nfs/dbraw/zinc/20/92/14/274209214.db2.gz RSHVLSSJFKJMRC-CQSZACIVSA-N 1 0 342.396 1.483 20 5 EDBDRO CN1CCO[C@H]2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C[C@H]21 ZINC000284828965 274349134 /nfs/dbraw/zinc/34/91/34/274349134.db2.gz VNNHWBJSHBGQTH-CVEARBPZSA-N 1 0 344.371 1.621 20 5 EDBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000284833996 274351113 /nfs/dbraw/zinc/35/11/13/274351113.db2.gz BJROFYKLJBBWRV-AWEZNQCLSA-N 1 0 329.360 1.885 20 5 EDBDRO Cc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000371348987 274709729 /nfs/dbraw/zinc/70/97/29/274709729.db2.gz DWKCJPBHRHKNDM-HUUCEWRRSA-N 1 0 333.436 1.760 20 5 EDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[NH+](C[C@H]4CCOC4)CC3)c21 ZINC000347427827 275039694 /nfs/dbraw/zinc/03/96/94/275039694.db2.gz YBLRHPQMKQJXNI-CYBMUJFWSA-N 1 0 343.387 1.697 20 5 EDBDRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000253158887 287822777 /nfs/dbraw/zinc/82/27/77/287822777.db2.gz QVPDPVRZMHCDOC-ILXRZTDVSA-N 1 0 346.387 1.334 20 5 EDBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000285872340 287878390 /nfs/dbraw/zinc/87/83/90/287878390.db2.gz BNCNRDCPMJVJEP-TXEJJXNPSA-N 1 0 327.344 1.072 20 5 EDBDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000236794089 276268106 /nfs/dbraw/zinc/26/81/06/276268106.db2.gz CKBPXWJWWSJEKK-UHFFFAOYSA-N 1 0 341.433 1.889 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000420417176 276692026 /nfs/dbraw/zinc/69/20/26/276692026.db2.gz DMGOGONGSWWQCR-BXUZGUMPSA-N 1 0 341.433 1.905 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]21 ZINC000368590596 277143634 /nfs/dbraw/zinc/14/36/34/277143634.db2.gz KYQGJWRSRSUKKQ-RISCZKNCSA-N 1 0 347.371 1.532 20 5 EDBDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000426189947 277289896 /nfs/dbraw/zinc/28/98/96/277289896.db2.gz CVYKWRRDDZNIPL-CQSZACIVSA-N 1 0 327.406 1.151 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000420219931 277436727 /nfs/dbraw/zinc/43/67/27/277436727.db2.gz RKTIDHROVAEAAN-GFCCVEGCSA-N 1 0 334.376 1.745 20 5 EDBDRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000052133769 278113155 /nfs/dbraw/zinc/11/31/55/278113155.db2.gz OTNIGSMIWSVZIK-AWEZNQCLSA-N 1 0 341.433 1.889 20 5 EDBDRO C[C@H]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000261882812 278357773 /nfs/dbraw/zinc/35/77/73/278357773.db2.gz UHSKTLHAKHKILK-SWLSCSKDSA-N 1 0 348.403 1.301 20 5 EDBDRO CC[C@H](C)[N@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000286724212 288070625 /nfs/dbraw/zinc/07/06/25/288070625.db2.gz BHLALFLXJZGDTA-NSHDSACASA-N 1 0 325.365 1.635 20 5 EDBDRO COC(=O)c1cc(C)nc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000287169370 288171962 /nfs/dbraw/zinc/17/19/62/288171962.db2.gz GWRGXMBVTBQFKG-NEPJUHHUSA-N 1 0 334.376 1.758 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(CO)CCSCC1 ZINC000459710738 281018257 /nfs/dbraw/zinc/01/82/57/281018257.db2.gz LIOJELZIOBHIQY-UHFFFAOYSA-N 1 0 339.417 1.689 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc([N+](=O)[O-])c1OC ZINC000290182349 288853740 /nfs/dbraw/zinc/85/37/40/288853740.db2.gz PQVDTNMIHLKHPR-PWSUYJOCSA-N 1 0 335.360 1.294 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000291262038 289027306 /nfs/dbraw/zinc/02/73/06/289027306.db2.gz KPQDFMYMMLZQBV-BETUJISGSA-N 1 0 346.387 1.116 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000117923690 289195603 /nfs/dbraw/zinc/19/56/03/289195603.db2.gz ZGPMTFHMLGFAFQ-JTQLQIEISA-N 1 0 347.824 1.820 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000292564599 289382713 /nfs/dbraw/zinc/38/27/13/289382713.db2.gz UFDYLNJFDJMHBP-QMTHXVAHSA-N 1 0 333.344 1.205 20 5 EDBDRO C[NH+]1CCC(CC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000293043489 289506798 /nfs/dbraw/zinc/50/67/98/289506798.db2.gz WHROGWODDJKLEN-UHFFFAOYSA-N 1 0 331.376 1.819 20 5 EDBDRO CCOCC(C)(C)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000293254455 289562973 /nfs/dbraw/zinc/56/29/73/289562973.db2.gz MHCBDPIJHHWAFG-UHFFFAOYSA-N 1 0 339.348 1.667 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000419272033 304585220 /nfs/dbraw/zinc/58/52/20/304585220.db2.gz PDSWCINYQNIEGX-TZMCWYRMSA-N 1 0 348.403 1.339 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000193406967 300001446 /nfs/dbraw/zinc/00/14/46/300001446.db2.gz IWNYSWKYAIWACD-KWQFWETISA-N 1 0 333.797 1.525 20 5 EDBDRO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000216056456 300491134 /nfs/dbraw/zinc/49/11/34/300491134.db2.gz QEDMMFWXEXDAGD-DTWKUNHWSA-N 1 0 333.797 1.606 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)c1C ZINC000261794117 301429979 /nfs/dbraw/zinc/42/99/79/301429979.db2.gz VFZHYNAFPIOCDI-AWEZNQCLSA-N 1 0 341.433 1.878 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000420440369 304758127 /nfs/dbraw/zinc/75/81/27/304758127.db2.gz CAIDPBLPGQSCEU-PWSUYJOCSA-N 1 0 327.406 1.569 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000420450760 304760477 /nfs/dbraw/zinc/76/04/77/304760477.db2.gz HMAFBYCOKNLXBA-RYUDHWBXSA-N 1 0 327.406 1.617 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000420476549 304763599 /nfs/dbraw/zinc/76/35/99/304763599.db2.gz IMCCFBUFVQAHPT-GWCFXTLKSA-N 1 0 341.433 1.817 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(C[NH+](C)C)CC1 ZINC000347226951 302042683 /nfs/dbraw/zinc/04/26/83/302042683.db2.gz PMBCSJXFSKMCTM-UHFFFAOYSA-N 1 0 341.433 1.866 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000154392893 302045680 /nfs/dbraw/zinc/04/56/80/302045680.db2.gz ORCONXIMYBCMGQ-CQSZACIVSA-N 1 0 325.390 1.277 20 5 EDBDRO CC(C)C[C@@H]1C(=O)NCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293710121 303007035 /nfs/dbraw/zinc/00/70/35/303007035.db2.gz XSBIWRIXCAHQES-CVEARBPZSA-N 1 0 335.404 1.865 20 5 EDBDRO C[NH+](C)CCn1nccc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000293909139 303036936 /nfs/dbraw/zinc/03/69/36/303036936.db2.gz AFGNUZWXDXKSMR-UHFFFAOYSA-N 1 0 347.331 1.334 20 5 EDBDRO C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000294400344 303102417 /nfs/dbraw/zinc/10/24/17/303102417.db2.gz XADMXROKVVCMIA-JTQLQIEISA-N 1 0 332.360 1.776 20 5 EDBDRO CCC[NH2+][C@@H](C)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000294743126 303141719 /nfs/dbraw/zinc/14/17/19/303141719.db2.gz JZXUMPNYKWOQTN-NSHDSACASA-N 1 0 339.392 1.659 20 5 EDBDRO COc1cc(C[NH2+]CCN2CCC(O)CC2)c([N+](=O)[O-])cc1OC ZINC000294835956 303149375 /nfs/dbraw/zinc/14/93/75/303149375.db2.gz LZUFTCYRXDDLKE-UHFFFAOYSA-N 1 0 339.392 1.158 20 5 EDBDRO COc1c(C)cnc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000295184935 303185336 /nfs/dbraw/zinc/18/53/36/303185336.db2.gz QGJWNKYSPZRPPK-AWEZNQCLSA-N 1 0 349.391 1.305 20 5 EDBDRO CC(C)(CCC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[N+](=O)[O-] ZINC000295678768 303251289 /nfs/dbraw/zinc/25/12/89/303251289.db2.gz LQFYNHKOIGTGGL-INIZCTEOSA-N 1 0 349.431 1.705 20 5 EDBDRO NC(=O)c1ccnc(N2CCC[C@@H]2C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000290908401 303349704 /nfs/dbraw/zinc/34/97/04/303349704.db2.gz GMAJHCXZFKXQSM-GFCCVEGCSA-N 1 0 333.392 1.543 20 5 EDBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000297079077 303359408 /nfs/dbraw/zinc/35/94/08/303359408.db2.gz XJJUSBAQFKOGCI-ZDUSSCGKSA-N 1 0 349.435 1.805 20 5 EDBDRO Cc1cc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000377743340 447332140 /nfs/dbraw/zinc/33/21/40/447332140.db2.gz IZCLMBZCFNDCOH-CYBMUJFWSA-N 1 0 332.404 1.947 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301915733 303703359 /nfs/dbraw/zinc/70/33/59/303703359.db2.gz GPUDPEVHOCMQAY-WDEREUQCSA-N 1 0 327.406 1.893 20 5 EDBDRO C[C@H](NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000424098691 304928840 /nfs/dbraw/zinc/92/88/40/304928840.db2.gz LFBJQERXCBYZAF-FZMZJTMJSA-N 1 0 344.375 1.602 20 5 EDBDRO CCCN(CCN1CC[NH+](CC)CC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000426150349 304979513 /nfs/dbraw/zinc/97/95/13/304979513.db2.gz RBYKPTSBSMKVCW-UHFFFAOYSA-N 1 0 337.424 1.413 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)n1 ZINC000427701549 304995126 /nfs/dbraw/zinc/99/51/26/304995126.db2.gz LFYAVWJGSDRYGR-UHFFFAOYSA-N 1 0 349.366 1.942 20 5 EDBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@H]1CCC[NH2+]C1 ZINC000428635857 305013580 /nfs/dbraw/zinc/01/35/80/305013580.db2.gz HRLBGFVZGIHZAM-NSHDSACASA-N 1 0 335.360 1.024 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000429396675 305029891 /nfs/dbraw/zinc/02/98/91/305029891.db2.gz GNINFTTZQDTLGO-FOGDFJRCSA-N 1 0 338.412 1.036 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CC(N)=O)C1CCOCC1 ZINC000430216807 305047753 /nfs/dbraw/zinc/04/77/53/305047753.db2.gz IBZHMDNYLVWQMC-CQSZACIVSA-N 1 0 337.376 1.364 20 5 EDBDRO COc1ccc(NC(=O)[C@@H](C)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000430586308 305057190 /nfs/dbraw/zinc/05/71/90/305057190.db2.gz VSZYBTSCWGHLAG-UPJWGTAASA-N 1 0 348.403 1.757 20 5 EDBDRO C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000430964886 305071414 /nfs/dbraw/zinc/07/14/14/305071414.db2.gz JKHARBGERXLKBY-GXSJLCMTSA-N 1 0 326.784 1.856 20 5 EDBDRO C[C@@H]([NH3+])CCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000434674024 305127224 /nfs/dbraw/zinc/12/72/24/305127224.db2.gz SYGRTONCSQXIHE-SNVBAGLBSA-N 1 0 340.405 1.068 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000438127463 305181772 /nfs/dbraw/zinc/18/17/72/305181772.db2.gz MVZXDZAIGDTJJJ-CQSZACIVSA-N 1 0 333.388 1.779 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000440758377 305212418 /nfs/dbraw/zinc/21/24/18/305212418.db2.gz VLHLLGIVOVPKJV-KCJUWKMLSA-N 1 0 347.368 1.100 20 5 EDBDRO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000444360360 305246962 /nfs/dbraw/zinc/24/69/62/305246962.db2.gz CYOUXMMYBLRNRO-CYBMUJFWSA-N 1 0 335.404 1.441 20 5 EDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000449567535 305313855 /nfs/dbraw/zinc/31/38/55/305313855.db2.gz WSUSZRSKXJNPRV-IAZYJMLFSA-N 1 0 345.277 1.484 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000449699239 305317359 /nfs/dbraw/zinc/31/73/59/305317359.db2.gz PNMZLWRRSJLLSU-SMDDNHRTSA-N 1 0 348.403 1.217 20 5 EDBDRO CN(CC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000449725526 305318064 /nfs/dbraw/zinc/31/80/64/305318064.db2.gz IXFVOROGWLHPDN-LLVKDONJSA-N 1 0 334.298 1.427 20 5 EDBDRO O=[N+]([O-])c1c(NC[C@H]2CCC[N@H+]2CCCO)nc2sccn21 ZINC000450595655 305330363 /nfs/dbraw/zinc/33/03/63/305330363.db2.gz MGVNRWLADPUOHO-SNVBAGLBSA-N 1 0 325.394 1.563 20 5 EDBDRO NC(=O)NC(=O)CCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549689 305352887 /nfs/dbraw/zinc/35/28/87/305352887.db2.gz QEBPOCGQWRCCNN-ZDUSSCGKSA-N 1 0 334.376 1.749 20 5 EDBDRO CCOc1cccc(C[N@H+](CCO)CCn2ccc([N+](=O)[O-])n2)c1 ZINC000452044330 305379737 /nfs/dbraw/zinc/37/97/37/305379737.db2.gz GTSOITLHTWINKM-UHFFFAOYSA-N 1 0 334.376 1.685 20 5 EDBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1ccc([N+](=O)[O-])cc1F ZINC000452388181 305397132 /nfs/dbraw/zinc/39/71/32/305397132.db2.gz JDGVJBLVVHEPKC-LBPRGKRZSA-N 1 0 325.340 1.311 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452396161 305397734 /nfs/dbraw/zinc/39/77/34/305397734.db2.gz XVWHTDMDYDSTCT-AWEZNQCLSA-N 1 0 339.367 1.239 20 5 EDBDRO COc1ccc(OCC[NH+]2C[C@H](OC)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000488058687 305555693 /nfs/dbraw/zinc/55/56/93/305555693.db2.gz AGPNPKSIPHWFBP-GJZGRUSLSA-N 1 0 326.349 1.328 20 5 EDBDRO CS(=O)(=O)N1CC[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000519551689 305770282 /nfs/dbraw/zinc/77/02/82/305770282.db2.gz VFLMMFSAAQINIK-BPJJOFIESA-N 1 0 325.390 1.232 20 5 EDBDRO C[C@@H]1C[C@H]([NH3+])CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000521640610 305791434 /nfs/dbraw/zinc/79/14/34/305791434.db2.gz ZFGKFEGWQSWYHW-NXEZZACHSA-N 1 0 326.784 1.998 20 5 EDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@H]1C ZINC000535747808 306016311 /nfs/dbraw/zinc/01/63/11/306016311.db2.gz PHHWQJYGVHDOAA-VXGBXAGGSA-N 1 0 349.387 1.921 20 5 EDBDRO C[NH+](C)CCOCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000539747140 306036123 /nfs/dbraw/zinc/03/61/23/306036123.db2.gz RWVVWTWGCFWSEU-UHFFFAOYSA-N 1 0 348.359 1.157 20 5 EDBDRO Cn1cc(C(C)(C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000547413039 306100074 /nfs/dbraw/zinc/10/00/74/306100074.db2.gz IBISGBHMCXCDGU-CQSZACIVSA-N 1 0 334.376 1.593 20 5 EDBDRO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000449592915 447378302 /nfs/dbraw/zinc/37/83/02/447378302.db2.gz TWVDECDNNHKZTE-TYNCELHUSA-N 1 0 348.403 1.360 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000415423099 447421863 /nfs/dbraw/zinc/42/18/63/447421863.db2.gz FYPYUYWSUBBYGH-AWEZNQCLSA-N 1 0 348.403 1.866 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000415428523 447429080 /nfs/dbraw/zinc/42/90/80/447429080.db2.gz AAOJZQGRZINFQF-NSHDSACASA-N 1 0 338.364 1.032 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000044492581 440849401 /nfs/dbraw/zinc/84/94/01/440849401.db2.gz QLRHCGSOFFDJFR-SECBINFHSA-N 1 0 333.797 1.669 20 5 EDBDRO CNS(=O)(=O)c1ccc(NCC(C)(C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000046230758 441093373 /nfs/dbraw/zinc/09/33/73/441093373.db2.gz TVQKQZBRGCCCKO-UHFFFAOYSA-N 1 0 330.410 1.255 20 5 EDBDRO COCc1cc([N+](=O)[O-])ccc1N1CCCN(CC[NH+](C)C)CC1 ZINC000080611821 441183424 /nfs/dbraw/zinc/18/34/24/441183424.db2.gz VAPHXRRMVVNUAW-UHFFFAOYSA-N 1 0 336.436 1.815 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000072500953 441233101 /nfs/dbraw/zinc/23/31/01/441233101.db2.gz UQFAZRGRUZYEOK-LLVKDONJSA-N 1 0 337.376 1.826 20 5 EDBDRO C[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000104755224 441205115 /nfs/dbraw/zinc/20/51/15/441205115.db2.gz MQBXBNMOJRNIIP-UHFFFAOYSA-N 1 0 327.406 1.748 20 5 EDBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCC[NH+]1CCCCCC1 ZINC000059403110 441228594 /nfs/dbraw/zinc/22/85/94/441228594.db2.gz PQPDKKDFQTUEHA-UHFFFAOYSA-N 1 0 348.403 1.317 20 5 EDBDRO O=C1CCCN1CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665049 441248112 /nfs/dbraw/zinc/24/81/12/441248112.db2.gz ANBQVJYPDXDXKT-ZDUSSCGKSA-N 1 0 333.392 1.489 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000048744347 441329816 /nfs/dbraw/zinc/32/98/16/441329816.db2.gz ZOOCPPDOYBRDBV-UHFFFAOYSA-N 1 0 348.403 1.832 20 5 EDBDRO C[C@H]1C[NH+](CCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000025151616 441331552 /nfs/dbraw/zinc/33/15/52/441331552.db2.gz VVQJJIFMBXQNKP-RYUDHWBXSA-N 1 0 336.392 1.605 20 5 EDBDRO C[C@@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000074137673 441398472 /nfs/dbraw/zinc/39/84/72/441398472.db2.gz NXNUJJUBUIFMRM-KIUWMYQTSA-N 1 0 346.431 1.608 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000074165639 441402029 /nfs/dbraw/zinc/40/20/29/441402029.db2.gz RBOUJRBLXNIGNK-CQSZACIVSA-N 1 0 336.392 1.757 20 5 EDBDRO C[C@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000088694773 441517527 /nfs/dbraw/zinc/51/75/27/441517527.db2.gz OIFUXLPVLZNNNM-SMDDNHRTSA-N 1 0 327.406 1.651 20 5 EDBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067148092 441610988 /nfs/dbraw/zinc/61/09/88/441610988.db2.gz TVIQMPPRFNKTEU-NSHDSACASA-N 1 0 342.359 1.142 20 5 EDBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CC1 ZINC000067159274 441612701 /nfs/dbraw/zinc/61/27/01/441612701.db2.gz UNSQGTRBILNTOF-UHFFFAOYSA-N 1 0 335.360 1.580 20 5 EDBDRO CCOC(=O)CC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090516963 441631979 /nfs/dbraw/zinc/63/19/79/441631979.db2.gz WQBQBPAONVEQNR-UHFFFAOYSA-N 1 0 337.376 1.422 20 5 EDBDRO C[C@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C[NH+]1CCN(C)CC1 ZINC000114379239 441651289 /nfs/dbraw/zinc/65/12/89/441651289.db2.gz SLXVNXVNVRVLAW-SBJJXXPASA-N 1 0 346.431 1.608 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000067864852 441690481 /nfs/dbraw/zinc/69/04/81/441690481.db2.gz DPGKOOVHCBDLID-YPMHNXCESA-N 1 0 346.387 1.066 20 5 EDBDRO 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EDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1COc2ccccc2O1 ZINC000172719136 442526158 /nfs/dbraw/zinc/52/61/58/442526158.db2.gz ODHAXANYJQHGFW-AWEZNQCLSA-N 1 0 332.360 1.953 20 5 EDBDRO CC(C)C(=O)NCC[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000157520694 442590180 /nfs/dbraw/zinc/59/01/80/442590180.db2.gz HUJXZFRYWWOSQU-CQSZACIVSA-N 1 0 339.392 1.039 20 5 EDBDRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135542174 442609293 /nfs/dbraw/zinc/60/92/93/442609293.db2.gz JQGMJJHGTDMHIU-ZFWWWQNUSA-N 1 0 347.419 1.877 20 5 EDBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180476257 442607920 /nfs/dbraw/zinc/60/79/20/442607920.db2.gz ASQANUIGCCBMEA-NSHDSACASA-N 1 0 335.360 1.928 20 5 EDBDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000173273940 442638337 /nfs/dbraw/zinc/63/83/37/442638337.db2.gz PIMXZOIHTNDJAJ-MNOVXSKESA-N 1 0 345.396 1.837 20 5 EDBDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C 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Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000268371914 442965983 /nfs/dbraw/zinc/96/59/83/442965983.db2.gz YXBMCYUYUQRNSA-SMDDNHRTSA-N 1 0 334.376 1.250 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000183940131 442976615 /nfs/dbraw/zinc/97/66/15/442976615.db2.gz WZVOGJOKXFASHI-NSHDSACASA-N 1 0 327.356 1.268 20 5 EDBDRO COc1cc(C(=O)NC2CC[NH+](C3CC3)CC2)cc([N+](=O)[O-])c1OC ZINC000266111823 443021044 /nfs/dbraw/zinc/02/10/44/443021044.db2.gz WCRRQTPOQLZJDT-UHFFFAOYSA-N 1 0 349.387 1.969 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000266164894 443041829 /nfs/dbraw/zinc/04/18/29/443041829.db2.gz IEBAYLLQOIBYQA-CMPLNLGQSA-N 1 0 345.396 1.695 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH+](C)C ZINC000266203004 443056470 /nfs/dbraw/zinc/05/64/70/443056470.db2.gz OTNWSWSKTLHEAB-BMIGLBTASA-N 1 0 344.371 1.871 20 5 EDBDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000268802017 443112965 /nfs/dbraw/zinc/11/29/65/443112965.db2.gz PKAFQMHSEJSZAE-CQSZACIVSA-N 1 0 327.406 1.451 20 5 EDBDRO COc1cc(OCC(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000237225282 443165540 /nfs/dbraw/zinc/16/55/40/443165540.db2.gz ILTZIMMXEAHTMS-RISCZKNCSA-N 1 0 337.376 1.568 20 5 EDBDRO COc1ccc([C@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000266555248 443167183 /nfs/dbraw/zinc/16/71/83/443167183.db2.gz VLZWRFOTLJVDDE-GOEBONIOSA-N 1 0 346.387 1.650 20 5 EDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000261907712 443173227 /nfs/dbraw/zinc/17/32/27/443173227.db2.gz XOTBWLWSRNFFGT-ZJUUUORDSA-N 1 0 330.344 1.658 20 5 EDBDRO C[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000237505436 443174306 /nfs/dbraw/zinc/17/43/06/443174306.db2.gz NDQFWZHWMDQVEG-JOYOIKCWSA-N 1 0 347.824 1.996 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])C[C@H]21 ZINC000261971194 443177451 /nfs/dbraw/zinc/17/74/51/443177451.db2.gz ZCLWHVBADUUQEI-CKYFFXLPSA-N 1 0 343.380 1.482 20 5 EDBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000190856795 443196928 /nfs/dbraw/zinc/19/69/28/443196928.db2.gz NBDZWZHSVDDQNB-UHFFFAOYSA-N 1 0 329.422 1.866 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000269095767 443196973 /nfs/dbraw/zinc/19/69/73/443196973.db2.gz NWKZZTYQBYIXHG-GJZGRUSLSA-N 1 0 345.403 1.623 20 5 EDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000237923617 443188898 /nfs/dbraw/zinc/18/88/98/443188898.db2.gz IXVIARSEBDIYND-NSHDSACASA-N 1 0 330.348 1.047 20 5 EDBDRO CCCN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000269185773 443225388 /nfs/dbraw/zinc/22/53/88/443225388.db2.gz SJCAJFVQJCUFMZ-HNNXBMFYSA-N 1 0 348.403 1.315 20 5 EDBDRO O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000269209983 443233818 /nfs/dbraw/zinc/23/38/18/443233818.db2.gz PCCUMVASRCOQOZ-SECBINFHSA-N 1 0 346.309 1.751 20 5 EDBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000262523128 443198545 /nfs/dbraw/zinc/19/85/45/443198545.db2.gz OMBICZYLKHWMCM-GXSJLCMTSA-N 1 0 329.353 1.106 20 5 EDBDRO CC1(C)CCC[NH2+][C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262583837 443201581 /nfs/dbraw/zinc/20/15/81/443201581.db2.gz ZLIXNBOSHNVFDI-ZDUSSCGKSA-N 1 0 327.406 1.651 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000262770471 443211804 /nfs/dbraw/zinc/21/18/04/443211804.db2.gz VKDBIVFLVGYTGS-FZMZJTMJSA-N 1 0 327.406 1.794 20 5 EDBDRO Cc1c(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000269251959 443251172 /nfs/dbraw/zinc/25/11/72/443251172.db2.gz ZZEFPCXKJCHGGP-QWRGUYRKSA-N 1 0 336.348 1.929 20 5 EDBDRO COC(=O)[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2F)CC[N@H+](C)C1 ZINC000413494168 319271349 /nfs/dbraw/zinc/27/13/49/319271349.db2.gz GWFQPPQQICLOSY-NSHDSACASA-N 1 0 325.340 1.583 20 5 EDBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C ZINC000414062929 319314727 /nfs/dbraw/zinc/31/47/27/319314727.db2.gz CGJILHWOUOYFDQ-JTNHKYCSSA-N 1 0 327.406 1.507 20 5 EDBDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C ZINC000414062379 319314854 /nfs/dbraw/zinc/31/48/54/319314854.db2.gz BQSUERHOYBQRQI-DFBGVHRSSA-N 1 0 341.433 1.897 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(CC[NH+](C)C)C2CC2)cc1C ZINC000414455806 319327467 /nfs/dbraw/zinc/32/74/67/319327467.db2.gz CVQCMBBFQVGRQV-UHFFFAOYSA-N 1 0 341.433 1.926 20 5 EDBDRO CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000415380598 319362447 /nfs/dbraw/zinc/36/24/47/319362447.db2.gz PNUKVIZPFRQHKR-GFCCVEGCSA-N 1 0 348.403 1.699 20 5 EDBDRO CNC(=O)c1ccc(N[C@H](C)CN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000264419956 443285384 /nfs/dbraw/zinc/28/53/84/443285384.db2.gz QXSBXPHICWNVEV-GFCCVEGCSA-N 1 0 335.408 1.002 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000264424032 443287112 /nfs/dbraw/zinc/28/71/12/443287112.db2.gz KTBHPESVHWOEPD-AWEZNQCLSA-N 1 0 349.435 1.149 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+]([C@@H](CC)CO)CC1 ZINC000267070327 443331835 /nfs/dbraw/zinc/33/18/35/443331835.db2.gz VPKYVQUULOTJJH-HNNXBMFYSA-N 1 0 337.420 1.882 20 5 EDBDRO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000272488607 443336012 /nfs/dbraw/zinc/33/60/12/443336012.db2.gz HLVHGMXXWPWTGV-JTQLQIEISA-N 1 0 333.373 1.520 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c(C)c1[N+](=O)[O-] ZINC000272493319 443338209 /nfs/dbraw/zinc/33/82/09/443338209.db2.gz NEASOYZIEYZUHJ-ZIAGYGMSSA-N 1 0 335.408 1.351 20 5 EDBDRO Cc1n[nH]c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000269669581 443387628 /nfs/dbraw/zinc/38/76/28/443387628.db2.gz JZQXJZXXMXPACP-DGCLKSJQSA-N 1 0 333.392 1.715 20 5 EDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000264611966 443346807 /nfs/dbraw/zinc/34/68/07/443346807.db2.gz NYEDHKSJYRRTMM-GFCCVEGCSA-N 1 0 335.408 1.971 20 5 EDBDRO C[C@@H](NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000419132752 319559983 /nfs/dbraw/zinc/55/99/83/319559983.db2.gz FFERICCVEJVNOC-NEPJUHHUSA-N 1 0 334.376 1.030 20 5 EDBDRO C[C@]1(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000420430750 319618234 /nfs/dbraw/zinc/61/82/34/319618234.db2.gz DOUQXFGZQDZZJY-HNNXBMFYSA-N 1 0 341.433 1.446 20 5 EDBDRO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000278785277 443438623 /nfs/dbraw/zinc/43/86/23/443438623.db2.gz WBXYMRJNMOTBQT-CVEARBPZSA-N 1 0 338.404 1.749 20 5 EDBDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000278699997 443405603 /nfs/dbraw/zinc/40/56/03/443405603.db2.gz QUDDJNYUIGLCDZ-LKFCYVNXSA-N 1 0 332.303 1.826 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCN(C)CC2(C)C)cc1[N+](=O)[O-] ZINC000270909600 443484337 /nfs/dbraw/zinc/48/43/37/443484337.db2.gz LKZUPOINIFKMKZ-UHFFFAOYSA-N 1 0 336.348 1.978 20 5 EDBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000272906202 443485452 /nfs/dbraw/zinc/48/54/52/443485452.db2.gz NAXPPFIMZOIZRH-ZWNOBZJWSA-N 1 0 342.421 1.383 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000265064377 443521802 /nfs/dbraw/zinc/52/18/02/443521802.db2.gz ZSKCCYCOVCYDQD-CYBMUJFWSA-N 1 0 330.388 1.960 20 5 EDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1C[C@H](F)CN1c1ccncn1 ZINC000279382964 443571703 /nfs/dbraw/zinc/57/17/03/443571703.db2.gz SXWGWRXBPQSHLB-STQMWFEESA-N 1 0 349.370 1.130 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000272316839 443590002 /nfs/dbraw/zinc/59/00/02/443590002.db2.gz JZGAOBOMLGRJOQ-SWLSCSKDSA-N 1 0 346.387 1.394 20 5 EDBDRO C[C@@H]1C[N@@H+](CC2CCN(c3ncc([N+](=O)[O-])cn3)CC2)C[C@H](C)O1 ZINC000273144414 443550332 /nfs/dbraw/zinc/55/03/32/443550332.db2.gz FWVIQRIXPZZVNA-BETUJISGSA-N 1 0 335.408 1.710 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCC[C@@H]1[NH+](C)C ZINC000429337400 319926040 /nfs/dbraw/zinc/92/60/40/319926040.db2.gz UFBSFNCQGQHFNX-AAEUAGOBSA-N 1 0 327.406 1.664 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000440748584 320078747 /nfs/dbraw/zinc/07/87/47/320078747.db2.gz PAXLKOLDEIHZII-IUCAKERBSA-N 1 0 347.368 1.113 20 5 EDBDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000441352994 320094071 /nfs/dbraw/zinc/09/40/71/320094071.db2.gz FZYVXURNIDDSCD-IINYFYTJSA-N 1 0 348.359 1.007 20 5 EDBDRO COc1ccc(OCC[N@@H+]2CCCC[C@H]2CC(N)=O)c([N+](=O)[O-])c1 ZINC000441505182 320097074 /nfs/dbraw/zinc/09/70/74/320097074.db2.gz GSXSINUSUPSXNG-LBPRGKRZSA-N 1 0 337.376 1.712 20 5 EDBDRO C[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[N@@H+]1CC(C)(C)O ZINC000443983131 320118016 /nfs/dbraw/zinc/11/80/16/320118016.db2.gz QWHSRHYMCGZYCH-LBPRGKRZSA-N 1 0 345.403 1.819 20 5 EDBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000452390052 320249013 /nfs/dbraw/zinc/24/90/13/320249013.db2.gz NMCIKVVNWVLNRD-AWEZNQCLSA-N 1 0 347.371 1.918 20 5 EDBDRO CO[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459758180 320349559 /nfs/dbraw/zinc/34/95/59/320349559.db2.gz LGKMCYRSYHVHFC-UHOFOFEASA-N 1 0 336.388 1.882 20 5 EDBDRO CC1(C)CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@]2(CCOC2)O1 ZINC000280326836 443694557 /nfs/dbraw/zinc/69/45/57/443694557.db2.gz HKCRPOVMIXQQJT-MRXNPFEDSA-N 1 0 337.376 1.026 20 5 EDBDRO C/C=C\C[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000519779209 320473503 /nfs/dbraw/zinc/47/35/03/320473503.db2.gz UWZBOZOKPYFJHS-ZZKXABKFSA-N 1 0 328.390 1.285 20 5 EDBDRO COC(=O)c1cnc(NC[C@@H](O)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000276527872 443735335 /nfs/dbraw/zinc/73/53/35/443735335.db2.gz HCDKTYMVXRUXNG-GFCCVEGCSA-N 1 0 338.364 1.035 20 5 EDBDRO CCCC[N@H+](C)C[C@@H](C)Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000291048659 443739960 /nfs/dbraw/zinc/73/99/60/443739960.db2.gz DJDARPKYMQWGEI-LLVKDONJSA-N 1 0 344.437 1.775 20 5 EDBDRO COC(=O)c1cnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000276710276 443799442 /nfs/dbraw/zinc/79/94/42/443799442.db2.gz JGKPBECEJKJTTM-WCQYABFASA-N 1 0 334.376 1.697 20 5 EDBDRO COc1cccc([C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)[NH+](C)C)c1 ZINC000298693704 443840947 /nfs/dbraw/zinc/84/09/47/443840947.db2.gz BYITUJOROSFQCU-GFCCVEGCSA-N 1 0 332.364 1.690 20 5 EDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000298771638 443863782 /nfs/dbraw/zinc/86/37/82/443863782.db2.gz TVTAKMOXTXVBGN-STQMWFEESA-N 1 0 341.433 1.917 20 5 EDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[N@H+](C)C1 ZINC000285301612 443933566 /nfs/dbraw/zinc/93/35/66/443933566.db2.gz SCINGKCUIHQIMI-STQMWFEESA-N 1 0 346.387 1.867 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000299305720 444012037 /nfs/dbraw/zinc/01/20/37/444012037.db2.gz DJTIXJBHXVLNHC-UHFFFAOYSA-N 1 0 347.419 1.791 20 5 EDBDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000293556807 444054057 /nfs/dbraw/zinc/05/40/57/444054057.db2.gz HQBYMVKELYYKDI-OCBCSQNSSA-N 1 0 346.383 1.916 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000285707471 444079656 /nfs/dbraw/zinc/07/96/56/444079656.db2.gz JDHVQYGPIDIRMZ-JKSUJKDBSA-N 1 0 333.388 1.459 20 5 EDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@H+]1CCCO ZINC000562660926 321066764 /nfs/dbraw/zinc/06/67/64/321066764.db2.gz FYXYDOYHIRRLMG-OAHLLOKOSA-N 1 0 336.392 1.241 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000566118790 321217732 /nfs/dbraw/zinc/21/77/32/321217732.db2.gz GVBVDWPIXKBGSB-NEPJUHHUSA-N 1 0 345.346 1.264 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000567900773 321267606 /nfs/dbraw/zinc/26/76/06/321267606.db2.gz OFQZCUZOZMHAKX-UHFFFAOYSA-N 1 0 325.365 1.254 20 5 EDBDRO C[C@H]1C[NH2+]CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000567907150 321268268 /nfs/dbraw/zinc/26/82/68/321268268.db2.gz FPYWWUVTAREPSA-ZDUSSCGKSA-N 1 0 332.404 1.632 20 5 EDBDRO Nc1c([N+](=O)[O-])cnn1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000289302771 444101547 /nfs/dbraw/zinc/10/15/47/444101547.db2.gz AENYMYKHHSEAIK-CQSZACIVSA-N 1 0 331.376 1.665 20 5 EDBDRO CC[NH+](CC)CCCCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000299645132 444104701 /nfs/dbraw/zinc/10/47/01/444104701.db2.gz KZXMHJPPNPUCLE-UHFFFAOYSA-N 1 0 325.413 1.728 20 5 EDBDRO O=c1nc([C@H]2CCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)[nH][nH]1 ZINC000289437454 444143959 /nfs/dbraw/zinc/14/39/59/444143959.db2.gz OENBSQIKAWYWEE-NSHDSACASA-N 1 0 333.348 1.265 20 5 EDBDRO COC(=O)c1cc(NC[C@H](C)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000301241376 444157253 /nfs/dbraw/zinc/15/72/53/444157253.db2.gz OKPPJCXGIYSXDD-LBPRGKRZSA-N 1 0 336.392 1.429 20 5 EDBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1C(N)=O)[NH+]1CCN(C)CC1 ZINC000301343088 444165334 /nfs/dbraw/zinc/16/53/34/444165334.db2.gz GEKAXCKYZGZVDU-INIZCTEOSA-N 1 0 349.435 1.378 20 5 EDBDRO Cc1c(CC(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000285989922 444169993 /nfs/dbraw/zinc/16/99/93/444169993.db2.gz YIFIHLKXJBZYAB-HZPDHXFCSA-N 1 0 333.388 1.377 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000574517905 321487728 /nfs/dbraw/zinc/48/77/28/321487728.db2.gz OKFANJKWRHYOSM-AWEZNQCLSA-N 1 0 344.375 1.431 20 5 EDBDRO CCOc1ccc([C@H](C)[NH2+]CCCn2cc(CO)nn2)cc1[N+](=O)[O-] ZINC000289693540 444191895 /nfs/dbraw/zinc/19/18/95/444191895.db2.gz IGSCSXATEHBLGT-LBPRGKRZSA-N 1 0 349.391 1.818 20 5 EDBDRO Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c2cccc([N+](=O)[O-])c2n1 ZINC000302040364 444201784 /nfs/dbraw/zinc/20/17/84/444201784.db2.gz WEFNGADLJYNRIP-CVEARBPZSA-N 1 0 328.372 1.971 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000305161404 444261705 /nfs/dbraw/zinc/26/17/05/444261705.db2.gz FOWYOENXELMLLX-RDTXWAMCSA-N 1 0 349.431 1.813 20 5 EDBDRO CCN1CCC([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000303997992 444239196 /nfs/dbraw/zinc/23/91/96/444239196.db2.gz PWKPLJVZSXJJNQ-INIZCTEOSA-N 1 0 337.420 1.751 20 5 EDBDRO C[C@H](NC(=O)NCc1cnc(N(C)C)n1C)c1ccc([N+](=O)[O-])cc1 ZINC000296585973 444240806 /nfs/dbraw/zinc/24/08/06/444240806.db2.gz WOJKPYXAJREFAT-NSHDSACASA-N 1 0 346.391 1.955 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000318930888 444321799 /nfs/dbraw/zinc/32/17/99/444321799.db2.gz PRHZXSAFUJJGQB-SNVBAGLBSA-N 1 0 329.378 1.024 20 5 EDBDRO C[C@@H](c1cnn(C)c1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000305838499 444282999 /nfs/dbraw/zinc/28/29/99/444282999.db2.gz QPEWOSFSMHVJOY-SWLSCSKDSA-N 1 0 334.376 1.761 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+](C)CCN(C)C)c1 ZINC000290613194 444301446 /nfs/dbraw/zinc/30/14/46/444301446.db2.gz KKDKFRURLDHPRA-UHFFFAOYSA-N 1 0 338.408 1.217 20 5 EDBDRO C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[NH+](C)C ZINC000297832994 444339693 /nfs/dbraw/zinc/33/96/93/444339693.db2.gz JZFQYPFTJXCWHB-QMMMGPOBSA-N 1 0 328.756 1.253 20 5 EDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000326295365 444373651 /nfs/dbraw/zinc/37/36/51/444373651.db2.gz HJVMKMLXIWDFHE-IYKSTZQJSA-N 1 0 330.388 1.114 20 5 EDBDRO CN(C)[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000580397138 322044413 /nfs/dbraw/zinc/04/44/13/322044413.db2.gz WBGKRTQQHLXCRZ-CVEARBPZSA-N 1 0 333.392 1.045 20 5 EDBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000340807261 444517963 /nfs/dbraw/zinc/51/79/63/444517963.db2.gz DAUPPYYUPZFJDK-ZDUSSCGKSA-N 1 0 341.795 1.825 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000332610648 444522108 /nfs/dbraw/zinc/52/21/08/444522108.db2.gz UJQMEDYEHMYLFT-ZDUSSCGKSA-N 1 0 339.417 1.680 20 5 EDBDRO CC[N@@H+]1CCC[C@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000342244751 444585373 /nfs/dbraw/zinc/58/53/73/444585373.db2.gz GMSZIYAKAOHJDG-AWEZNQCLSA-N 1 0 348.403 1.315 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000344051472 444751373 /nfs/dbraw/zinc/75/13/73/444751373.db2.gz HYPCOJNKBZTIDH-XEZPLFJOSA-N 1 0 333.388 1.935 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(O)CCSC1 ZINC000341275121 444758159 /nfs/dbraw/zinc/75/81/59/444758159.db2.gz JKLZVUYYZMXBFX-IAQYHMDHSA-N 1 0 339.417 1.770 20 5 EDBDRO C[C@@H]([NH2+][C@@H]1CCC(=O)NC1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000338589685 444760599 /nfs/dbraw/zinc/76/05/99/444760599.db2.gz BECFGHRQXSLCKB-ZWNOBZJWSA-N 1 0 334.376 1.569 20 5 EDBDRO NC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000342704436 444824000 /nfs/dbraw/zinc/82/40/00/444824000.db2.gz FBABKBWGCCQIMH-MRXNPFEDSA-N 1 0 331.347 1.963 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(c3ncnc4sc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000338735476 444828774 /nfs/dbraw/zinc/82/87/74/444828774.db2.gz YOWJJMXCTNGQNO-NEPJUHHUSA-N 1 0 349.416 1.899 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000344435492 444969425 /nfs/dbraw/zinc/96/94/25/444969425.db2.gz WLYAMNRZXPCMOT-DGCLKSJQSA-N 1 0 334.376 1.441 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000341756322 444987550 /nfs/dbraw/zinc/98/75/50/444987550.db2.gz SEYGEXPKJBAKBA-JKSUJKDBSA-N 1 0 347.346 1.704 20 5 EDBDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000339027886 444995800 /nfs/dbraw/zinc/99/58/00/444995800.db2.gz RNFBGHCARJGBPF-LBPRGKRZSA-N 1 0 349.391 1.304 20 5 EDBDRO Cn1nccc1[C@@H]1[C@H](CNc2ncc([N+](=O)[O-])cn2)CCC[N@@H+]1C ZINC000344486301 445004527 /nfs/dbraw/zinc/00/45/27/445004527.db2.gz ZDRRZZXDQWWANW-FZMZJTMJSA-N 1 0 331.380 1.613 20 5 EDBDRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000337274332 445011763 /nfs/dbraw/zinc/01/17/63/445011763.db2.gz FJTIONLVCKEDDO-YPMHNXCESA-N 1 0 327.406 1.402 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCCC[C@@H]1OC(F)F ZINC000337403931 445064915 /nfs/dbraw/zinc/06/49/15/445064915.db2.gz KZDHACNCAGCDCA-NEPJUHHUSA-N 1 0 331.319 1.897 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000342113987 445178387 /nfs/dbraw/zinc/17/83/87/445178387.db2.gz WOFOKYVGBUEDBA-FVQBIDKESA-N 1 0 344.415 1.543 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000330817031 445152538 /nfs/dbraw/zinc/15/25/38/445152538.db2.gz RFFMTJWSQNMNPO-QWHCGFSZSA-N 1 0 348.403 1.184 20 5 EDBDRO Cc1cnc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000343421765 445219670 /nfs/dbraw/zinc/21/96/70/445219670.db2.gz DMVWOXFUVCLSHA-LSDHHAIUSA-N 1 0 333.436 1.760 20 5 EDBDRO Cc1nc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000348362422 445267537 /nfs/dbraw/zinc/26/75/37/445267537.db2.gz IHWSONAYJRDWJU-SFHVURJKSA-N 1 0 342.399 2.347 20 5 EDBDRO CCOC(=O)[C@@H](C)N(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000343625187 445268399 /nfs/dbraw/zinc/26/83/99/445268399.db2.gz YEHCDQZYQHRZJA-DGCLKSJQSA-N 1 0 326.349 1.218 20 5 EDBDRO C[C@@H]1[C@H](Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CCC[N@@H+]1C ZINC000343597229 445256984 /nfs/dbraw/zinc/25/69/84/445256984.db2.gz MSIMROXWKUUKPT-NOZJJQNGSA-N 1 0 328.394 1.137 20 5 EDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348545622 445321964 /nfs/dbraw/zinc/32/19/64/445321964.db2.gz VYVCEADRWPNQOB-WBVHZDCISA-N 1 0 337.420 1.607 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000348119662 445278909 /nfs/dbraw/zinc/27/89/09/445278909.db2.gz PYBZEDKJGZECMO-UHFFFAOYSA-N 1 0 337.424 1.823 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000348149952 445289268 /nfs/dbraw/zinc/28/92/68/445289268.db2.gz XGCGHNMRDSRESC-RYUDHWBXSA-N 1 0 337.376 1.947 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000348158447 445293847 /nfs/dbraw/zinc/29/38/47/445293847.db2.gz HVWTUULKQFISGL-CHWSQXEVSA-N 1 0 337.376 1.487 20 5 EDBDRO COC(=O)COc1ccc(C[N@H+](C)[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000348548848 445323316 /nfs/dbraw/zinc/32/33/16/445323316.db2.gz HBIOKXNBBONQEL-JSGCOSHPSA-N 1 0 338.360 1.492 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000357072080 445407457 /nfs/dbraw/zinc/40/74/57/445407457.db2.gz DFWIKFQFYWEGOC-OLZOCXBDSA-N 1 0 348.403 1.473 20 5 EDBDRO COc1ccc(OCC[NH2+][C@@H](CO)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000359866987 445466756 /nfs/dbraw/zinc/46/67/56/445466756.db2.gz DCYWRPQHLDOLDA-AWEZNQCLSA-N 1 0 340.376 1.359 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000352540163 445535786 /nfs/dbraw/zinc/53/57/86/445535786.db2.gz HTPBDGSTGCOIBN-HNNXBMFYSA-N 1 0 339.417 1.667 20 5 EDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000362827597 445569369 /nfs/dbraw/zinc/56/93/69/445569369.db2.gz AHGWMWWDXAJXKV-KBPBESRZSA-N 1 0 332.404 1.552 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000360145782 445593886 /nfs/dbraw/zinc/59/38/86/445593886.db2.gz ZUNIDVAMXQPRQA-ZDUSSCGKSA-N 1 0 337.376 1.640 20 5 EDBDRO CN(c1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000363098679 445676649 /nfs/dbraw/zinc/67/66/49/445676649.db2.gz YNSMVDJUYNVTLO-CVEARBPZSA-N 1 0 332.404 1.821 20 5 EDBDRO COC(=O)COc1ccc(CN(C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000360315761 445691719 /nfs/dbraw/zinc/69/17/19/445691719.db2.gz IVVRFYQSXQJBLQ-UHFFFAOYSA-N 1 0 348.359 1.512 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000360651126 445720042 /nfs/dbraw/zinc/72/00/42/445720042.db2.gz FKLCQPXANJHRDF-YPMHNXCESA-N 1 0 341.433 1.973 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC2(CC[NH2+]CC2)CC1 ZINC000358888160 445833440 /nfs/dbraw/zinc/83/34/40/445833440.db2.gz RZZJLLMJXNTHQP-UHFFFAOYSA-N 1 0 332.404 1.999 20 5 EDBDRO C[NH+](C)CCOc1cnccc1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000356479720 445813194 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NS(=O)(=O)c1ccc(NC2[C@@H]3CC[C@H]2CC([NH3+])C3)c([N+](=O)[O-])c1 ZINC000420287904 446452706 /nfs/dbraw/zinc/45/27/06/446452706.db2.gz RTKDSVNREBEKPT-HZNSRWLBSA-N 1 0 340.405 1.170 20 5 EDBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[NH2+]CCCO2)nc1-c1ccccc1 ZINC000420271019 446441959 /nfs/dbraw/zinc/44/19/59/446441959.db2.gz JUSUNVRVPBYVCK-CQSZACIVSA-N 1 0 328.372 2.447 20 5 EDBDRO C[C@@H](NC(=O)NCCCN1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000417984246 446407958 /nfs/dbraw/zinc/40/79/58/446407958.db2.gz OTCLGFBQWRNWLU-CYBMUJFWSA-N 1 0 335.408 1.250 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@@H](C)C[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000420341879 446513827 /nfs/dbraw/zinc/51/38/27/446513827.db2.gz QNMXXIABHFVLFV-VXGBXAGGSA-N 1 0 336.392 1.601 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420346915 446522115 /nfs/dbraw/zinc/52/21/15/446522115.db2.gz DZDGXGKZLQXFOO-RWMBFGLXSA-N 1 0 348.403 1.757 20 5 EDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 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ZINC000447915551 447296614 /nfs/dbraw/zinc/29/66/14/447296614.db2.gz NBCQDAHXDHCKOU-GJZGRUSLSA-N 1 0 337.376 1.361 20 5 EDBDRO CCOCCOC[C@H](O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447598114 447280438 /nfs/dbraw/zinc/28/04/38/447280438.db2.gz GPGDMZYZXYZAQV-WBVHZDCISA-N 1 0 338.404 1.976 20 5 EDBDRO O=C(CC[C@@H]1CCC[NH2+]1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000494633328 447453029 /nfs/dbraw/zinc/45/30/29/447453029.db2.gz ADLSSQMHFPBJMX-QWHCGFSZSA-N 1 0 333.392 1.535 20 5 EDBDRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415477299 447467734 /nfs/dbraw/zinc/46/77/34/447467734.db2.gz WKSXJRAZDCIRHT-UHFFFAOYSA-N 1 0 336.392 1.784 20 5 EDBDRO O=[N+]([O-])c1ccc2nc(NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)ccc2c1 ZINC000450787807 447576536 /nfs/dbraw/zinc/57/65/36/447576536.db2.gz GFNNWDQXIIINBD-GASCZTMLSA-N 1 0 328.372 2.418 20 5 EDBDRO CNC(=O)c1ccc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC000450789765 447577298 /nfs/dbraw/zinc/57/72/98/447577298.db2.gz JSMKOJJXPBJJBT-BETUJISGSA-N 1 0 334.376 1.230 20 5 EDBDRO NC(=O)NC(=O)OCCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000495627740 447530484 /nfs/dbraw/zinc/53/04/84/447530484.db2.gz YCWKOOIYIPKLGV-UHFFFAOYSA-N 1 0 336.348 1.754 20 5 EDBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000420036624 447560671 /nfs/dbraw/zinc/56/06/71/447560671.db2.gz JCZNEDFIALZTPX-MRXNPFEDSA-N 1 0 335.360 1.774 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000416568414 447651131 /nfs/dbraw/zinc/65/11/31/447651131.db2.gz XCBZDBKZEGPFAK-ZDUSSCGKSA-N 1 0 341.433 1.913 20 5 EDBDRO C[NH2+][C@H]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000420174756 447654008 /nfs/dbraw/zinc/65/40/08/447654008.db2.gz XLRRFNWZXJJTSI-LBPRGKRZSA-N 1 0 329.360 1.357 20 5 EDBDRO C[C@H]1C[C@@H](C[NH3+])CN1c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000420223210 447677646 /nfs/dbraw/zinc/67/76/46/447677646.db2.gz ZPKPIVSHZBPBPN-ZFWWWQNUSA-N 1 0 334.420 1.601 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]CCc2cn(C)cn2)cc1[N+](=O)[O-] ZINC000459652009 447733321 /nfs/dbraw/zinc/73/33/21/447733321.db2.gz BOLGWSVWXWIVKD-UHFFFAOYSA-N 1 0 348.359 1.212 20 5 EDBDRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000452085941 447813881 /nfs/dbraw/zinc/81/38/81/447813881.db2.gz OOIGZPUIDBYVNF-UHFFFAOYSA-N 1 0 341.433 1.889 20 5 EDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423032318 447794454 /nfs/dbraw/zinc/79/44/54/447794454.db2.gz FHUGSGAHHCYPIW-FZMZJTMJSA-N 1 0 327.406 1.086 20 5 EDBDRO C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[NH2+]1 ZINC000423031051 447794744 /nfs/dbraw/zinc/79/47/44/447794744.db2.gz CTPAIEOZWZLIRZ-SWLSCSKDSA-N 1 0 341.433 1.489 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000486929464 447826584 /nfs/dbraw/zinc/82/65/84/447826584.db2.gz DABQWFKGXMXUEH-NEPJUHHUSA-N 1 0 347.375 1.536 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486947958 447826746 /nfs/dbraw/zinc/82/67/46/447826746.db2.gz SRYQZPOXJNOCSD-GFCCVEGCSA-N 1 0 346.391 1.693 20 5 EDBDRO C[C@H]1C[C@H](Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC[N@@H+]1C ZINC000524688767 447940523 /nfs/dbraw/zinc/94/05/23/447940523.db2.gz HTLPALCSSPNRLC-VHSXEESVSA-N 1 0 328.394 1.137 20 5 EDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000524720818 447942842 /nfs/dbraw/zinc/94/28/42/447942842.db2.gz AVSXNEAAHBSBPR-ZDUSSCGKSA-N 1 0 343.387 1.852 20 5 EDBDRO COc1ccc(CC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000525540229 448003738 /nfs/dbraw/zinc/00/37/38/448003738.db2.gz NCJWOUWIXGMGCI-JSGCOSHPSA-N 1 0 335.404 1.945 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000525536234 448003890 /nfs/dbraw/zinc/00/38/90/448003890.db2.gz MYKYSUHVJCCVNX-JQWIXIFHSA-N 1 0 335.360 1.736 20 5 EDBDRO [NH3+]CC[C@@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000570424501 448011574 /nfs/dbraw/zinc/01/15/74/448011574.db2.gz YAGGRRAGCFWERC-GFCCVEGCSA-N 1 0 346.309 1.942 20 5 EDBDRO C[N@@H+]1CC[C@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000525729346 448017824 /nfs/dbraw/zinc/01/78/24/448017824.db2.gz FIHMDODZAYCHQZ-ZDUSSCGKSA-N 1 0 333.388 1.916 20 5 EDBDRO CC[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000570786970 448064412 /nfs/dbraw/zinc/06/44/12/448064412.db2.gz JFRRLHFXPJIWJV-OCCSQVGLSA-N 1 0 342.417 1.916 20 5 EDBDRO CC[C@@H]1CN(C)CCN1C(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000571620430 448180218 /nfs/dbraw/zinc/18/02/18/448180218.db2.gz FBNWDTMZBSVZJE-CYBMUJFWSA-N 1 0 348.403 1.703 20 5 EDBDRO CNc1nccc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000557553390 448185811 /nfs/dbraw/zinc/18/58/11/448185811.db2.gz DXXVWKVLZVTWEL-LBPRGKRZSA-N 1 0 335.408 1.883 20 5 EDBDRO CNc1nccc(C(=O)N2CCC(CCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000582437257 448239255 /nfs/dbraw/zinc/23/92/55/448239255.db2.gz GCWJPYXFXNWAKV-UHFFFAOYSA-N 1 0 349.435 2.226 20 5 EDBDRO O=C(Nc1ccn([C@H]2CC[NH2+]C2)n1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000562762140 448268988 /nfs/dbraw/zinc/26/89/88/448268988.db2.gz YHAQNXNAWFETIY-NSHDSACASA-N 1 0 334.311 2.109 20 5 EDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492764102 448283756 /nfs/dbraw/zinc/28/37/56/448283756.db2.gz PBKDAOJFZRKQLK-QIAWRQBBSA-N 1 0 347.415 1.912 20 5 EDBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000591460933 448371277 /nfs/dbraw/zinc/37/12/77/448371277.db2.gz ZYNLFRBOSVUFEX-LBPRGKRZSA-N 1 0 334.376 1.359 20 5 EDBDRO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCC2CC[NH2+]CC2)C1=O ZINC000577621934 448343206 /nfs/dbraw/zinc/34/32/06/448343206.db2.gz MVMHVOPLRJEKDF-QGZVFWFLSA-N 1 0 346.387 1.752 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1nnc2n1CCCC2 ZINC000577654008 448353663 /nfs/dbraw/zinc/35/36/63/448353663.db2.gz CQJKWNKZGCGXIF-GFCCVEGCSA-N 1 0 347.375 1.052 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591351639 448336864 /nfs/dbraw/zinc/33/68/64/448336864.db2.gz DBXANALKKROVSV-WFASDCNBSA-N 1 0 334.376 1.367 20 5 EDBDRO COC(=O)c1cc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc([N+](=O)[O-])c1 ZINC000591672640 448441963 /nfs/dbraw/zinc/44/19/63/448441963.db2.gz RBYWKXSOPYBKLX-NSHDSACASA-N 1 0 343.286 1.565 20 5 EDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000591686175 448450543 /nfs/dbraw/zinc/45/05/43/448450543.db2.gz OCWFLYOVCQZPHV-UWVGGRQHSA-N 1 0 346.156 1.787 20 5 EDBDRO CNc1nccc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000584182186 448474204 /nfs/dbraw/zinc/47/42/04/448474204.db2.gz TVWLIWGFRMRPBZ-CYBMUJFWSA-N 1 0 347.419 1.835 20 5 EDBDRO O=C(CC[NH2+]CCOC[C@H]1CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000591734823 448476679 /nfs/dbraw/zinc/47/66/79/448476679.db2.gz GNILQYBIUVZTRD-ZDUSSCGKSA-N 1 0 337.376 1.566 20 5 EDBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@@H](O)CN2CCOCC2)cc1 ZINC000591741089 448479414 /nfs/dbraw/zinc/47/94/14/448479414.db2.gz VGVPBJOCFRMLAN-QGZVFWFLSA-N 1 0 337.420 1.200 20 5 EDBDRO COc1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000591759253 448483238 /nfs/dbraw/zinc/48/32/38/448483238.db2.gz IIGOCZAKKBFUGV-GDBMZVCRSA-N 1 0 346.387 1.308 20 5 EDBDRO CC1(C)CC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000591761734 448484690 /nfs/dbraw/zinc/48/46/90/448484690.db2.gz VNECFCBCJGQGJO-ZDUSSCGKSA-N 1 0 342.417 1.916 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CSc3ccccc32)c1 ZINC000572870659 448486756 /nfs/dbraw/zinc/48/67/56/448486756.db2.gz YISKPYCVZXWQGW-WCQYABFASA-N 1 0 334.401 1.631 20 5 EDBDRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000584585779 448578957 /nfs/dbraw/zinc/57/89/57/448578957.db2.gz WMQXZGALLQQBMN-CYBMUJFWSA-N 1 0 333.344 1.528 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000566748246 448552231 /nfs/dbraw/zinc/55/22/31/448552231.db2.gz NOQAFMMFSQUUAK-CQSZACIVSA-N 1 0 337.424 1.811 20 5 EDBDRO C[C@H](C(=O)NCCN1CCOCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000584814211 448638781 /nfs/dbraw/zinc/63/87/81/448638781.db2.gz OVCSTMPFIRGMJL-ZDUSSCGKSA-N 1 0 335.404 1.925 20 5 EDBDRO CNC(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130337 448700858 /nfs/dbraw/zinc/70/08/58/448700858.db2.gz CPWLQICANCKLRV-SHTZXODSSA-N 1 0 335.404 1.836 20 5 EDBDRO CC(C)[C@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 ZINC000592246988 448761933 /nfs/dbraw/zinc/76/19/33/448761933.db2.gz QIQLJVQBRBKIIP-MRXNPFEDSA-N 1 0 343.387 1.851 20 5 EDBDRO CC[C@H]1CN(C)CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000579152200 448728216 /nfs/dbraw/zinc/72/82/16/448728216.db2.gz OQXHVCNIQNTCBH-ZDUSSCGKSA-N 1 0 343.387 1.947 20 5 EDBDRO Cc1cc(C(=O)NCc2nc([C@@H]3CCC[NH2+]3)no2)ccc1[N+](=O)[O-] ZINC000592355975 448803629 /nfs/dbraw/zinc/80/36/29/448803629.db2.gz AWEPGYDPIFFRRP-NSHDSACASA-N 1 0 331.332 1.641 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000579494614 448810099 /nfs/dbraw/zinc/81/00/99/448810099.db2.gz UHMLCLFBKNTRBZ-CYBMUJFWSA-N 1 0 338.408 2.300 20 5 EDBDRO CC1(C)C[NH2+]CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000592373012 448810396 /nfs/dbraw/zinc/81/03/96/448810396.db2.gz NWYDWQXSTZNIFO-UHFFFAOYSA-N 1 0 333.797 1.621 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(C)([NH3+])CC1 ZINC000592379792 448812827 /nfs/dbraw/zinc/81/28/27/448812827.db2.gz OYWLGJKUJMQKNX-UHFFFAOYSA-N 1 0 329.378 1.105 20 5 EDBDRO C[NH+](C)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)c2ccccc2O1 ZINC000586797820 448813365 /nfs/dbraw/zinc/81/33/65/448813365.db2.gz OZKGGTJFDHQMCT-SNVBAGLBSA-N 1 0 331.332 1.287 20 5 EDBDRO CC[C@H]1CN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592332041 448795307 /nfs/dbraw/zinc/79/53/07/448795307.db2.gz SLZFDUJEOMPYJL-IINYFYTJSA-N 1 0 335.360 1.581 20 5 EDBDRO CC[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC[C@@H]1[NH3+] ZINC000592331883 448795554 /nfs/dbraw/zinc/79/55/54/448795554.db2.gz BOTAXZSHZAJODT-AAEUAGOBSA-N 1 0 337.376 1.568 20 5 EDBDRO Cn1c2cc(NC[C@H]3CC[N@@H+](C4CC4)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000587178314 448836289 /nfs/dbraw/zinc/83/62/89/448836289.db2.gz HDWYGJMFULFAEJ-LLVKDONJSA-N 1 0 345.403 1.681 20 5 EDBDRO Cn1c2cc(NC[C@H](C3CC3)[NH+](C)C)c([N+](=O)[O-])cc2n(C)c1=O ZINC000587881877 448847027 /nfs/dbraw/zinc/84/70/27/448847027.db2.gz DDAAKPCSNWVRFU-OAHLLOKOSA-N 1 0 333.392 1.537 20 5 EDBDRO C[C@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC[N@@H+]1C ZINC000587985128 448850317 /nfs/dbraw/zinc/85/03/17/448850317.db2.gz WNLCQOIVXWROEG-QWRGUYRKSA-N 1 0 333.392 1.680 20 5 EDBDRO CN(CCN1CC[NH2+]CC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000592469532 448850314 /nfs/dbraw/zinc/85/03/14/448850314.db2.gz UCSBRYJPLIUFEU-UHFFFAOYSA-N 1 0 332.360 1.318 20 5 EDBDRO CC(C)[C@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000592484974 448856697 /nfs/dbraw/zinc/85/66/97/448856697.db2.gz LLRGOHRWMDMBTC-OAHLLOKOSA-N 1 0 341.433 1.298 20 5 EDBDRO CC(C)Oc1nc(N[C@@H](CO)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000568782544 448919469 /nfs/dbraw/zinc/91/94/69/448919469.db2.gz TWWDFSNRNGFZIR-CYBMUJFWSA-N 1 0 338.408 2.036 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](CO)CC2CCCC2)c1 ZINC000574637454 448921699 /nfs/dbraw/zinc/92/16/99/448921699.db2.gz CIAFIURYWBYJPS-HOCLYGCPSA-N 1 0 338.404 1.865 20 5 EDBDRO NC(=O)C[C@H]1CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000588977225 448957332 /nfs/dbraw/zinc/95/73/32/448957332.db2.gz KAHXJOVXWPOOBI-LLVKDONJSA-N 1 0 348.359 1.090 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000521231786 448966519 /nfs/dbraw/zinc/96/65/19/448966519.db2.gz YFLXVTCRJBWZTO-UHFFFAOYSA-N 1 0 337.424 1.829 20 5 EDBDRO Cc1cc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000592880161 449034592 /nfs/dbraw/zinc/03/45/92/449034592.db2.gz ONVIRFFWWKAYDA-GFCCVEGCSA-N 1 0 334.376 1.095 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000592870401 449028232 /nfs/dbraw/zinc/02/82/32/449028232.db2.gz CPTVSYAPEMMYRI-CYBMUJFWSA-N 1 0 348.403 1.404 20 5 EDBDRO Cc1ccc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000592880125 449034077 /nfs/dbraw/zinc/03/40/77/449034077.db2.gz NJQUXTZOILXRMI-GFCCVEGCSA-N 1 0 334.376 1.095 20 5 EDBDRO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000592952281 449074090 /nfs/dbraw/zinc/07/40/90/449074090.db2.gz CMJSHTVGQNCJHG-CQSZACIVSA-N 1 0 347.371 1.771 20 5 EDBDRO O=C(C[NH2+][C@H](CO)C1CCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595616951 449082212 /nfs/dbraw/zinc/08/22/12/449082212.db2.gz PTDIQVHFPHDIHZ-LLVKDONJSA-N 1 0 337.332 1.013 20 5 EDBDRO C[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1CCO ZINC000595706086 449126133 /nfs/dbraw/zinc/12/61/33/449126133.db2.gz XJRHGBFZEDGQBT-BBRMVZONSA-N 1 0 347.415 1.967 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)c1 ZINC000593024989 449105689 /nfs/dbraw/zinc/10/56/89/449105689.db2.gz QJGYJCROUZGUMW-QWHCGFSZSA-N 1 0 335.360 1.515 20 5 EDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1COCC[NH2+]1 ZINC000599916617 449107550 /nfs/dbraw/zinc/10/75/50/449107550.db2.gz KPHBTDPJZWZMNK-CQSZACIVSA-N 1 0 336.392 1.205 20 5 EDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599916790 449107630 /nfs/dbraw/zinc/10/76/30/449107630.db2.gz DNQZIGYBPZZTEE-JOYOIKCWSA-N 1 0 326.784 1.840 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)c1 ZINC000593034104 449109429 /nfs/dbraw/zinc/10/94/29/449109429.db2.gz HUUTTZHZOYMTFF-OCCSQVGLSA-N 1 0 338.360 1.259 20 5 EDBDRO Cn1c2cc([N+](=O)[O-])c(N3CC[C@H](C[NH+](C)C)C3)cc2n(C)c1=O ZINC000590140368 449111895 /nfs/dbraw/zinc/11/18/95/449111895.db2.gz CSYVQLNOGRVLNQ-LLVKDONJSA-N 1 0 333.392 1.173 20 5 EDBDRO C[C@@]1(c2cccc(F)c2)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000593046602 449112702 /nfs/dbraw/zinc/11/27/02/449112702.db2.gz PPFZWJDYTLSWBU-IAGOWNOFSA-N 1 0 348.378 1.955 20 5 EDBDRO C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1CCO ZINC000595691515 449120781 /nfs/dbraw/zinc/12/07/81/449120781.db2.gz BXGOSMFXOODHFM-KFWWJZLASA-N 1 0 338.404 1.817 20 5 EDBDRO CCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H]1CC[N@H+](C)C1 ZINC000597945011 449154399 /nfs/dbraw/zinc/15/43/99/449154399.db2.gz GKBDSDKARMXSBI-INIZCTEOSA-N 1 0 343.387 1.947 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000600036698 449155891 /nfs/dbraw/zinc/15/58/91/449155891.db2.gz VZOBPXWKCRDXBQ-ZDUSSCGKSA-N 1 0 348.403 1.690 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC000590443326 449164710 /nfs/dbraw/zinc/16/47/10/449164710.db2.gz IFLQTXDFEMDOIC-HIFRSBDPSA-N 1 0 333.388 1.835 20 5 EDBDRO CC[N@@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000611092308 449167050 /nfs/dbraw/zinc/16/70/50/449167050.db2.gz OVEYYMUKKVIKFQ-LBPRGKRZSA-N 1 0 336.392 1.568 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595758999 449151904 /nfs/dbraw/zinc/15/19/04/449151904.db2.gz OKISOHPXZLEQMF-SJCJKPOMSA-N 1 0 349.387 1.900 20 5 EDBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[NH+](C)C ZINC000597992399 449177167 /nfs/dbraw/zinc/17/71/67/449177167.db2.gz JVRMTCQJBYHEAU-JTQLQIEISA-N 1 0 343.405 1.068 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000604239847 449197136 /nfs/dbraw/zinc/19/71/36/449197136.db2.gz PKAQBPIGMQDJMG-ZIAGYGMSSA-N 1 0 329.360 1.828 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000590590189 449205649 /nfs/dbraw/zinc/20/56/49/449205649.db2.gz VKGVXLSMMGBDEG-AAEUAGOBSA-N 1 0 327.406 1.616 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000590590149 449205727 /nfs/dbraw/zinc/20/57/27/449205727.db2.gz TZPFXOLFSXQXCO-UHFFFAOYSA-N 1 0 345.396 1.757 20 5 EDBDRO O=C(CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595864939 449216012 /nfs/dbraw/zinc/21/60/12/449216012.db2.gz XSPKMSBXKBAKIG-CQSZACIVSA-N 1 0 348.403 1.064 20 5 EDBDRO CN(c1ccccc1)[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595829139 449192459 /nfs/dbraw/zinc/19/24/59/449192459.db2.gz WWANDUPMLVFZCQ-DOTOQJQBSA-N 1 0 345.403 1.363 20 5 EDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000590566693 449195043 /nfs/dbraw/zinc/19/50/43/449195043.db2.gz QEYGGDXOTCGJKT-LRDDRELGSA-N 1 0 343.387 1.945 20 5 EDBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000604531896 449247468 /nfs/dbraw/zinc/24/74/68/449247468.db2.gz FGZFWWQFLSBTQH-GJZGRUSLSA-N 1 0 333.436 1.985 20 5 EDBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000593883542 449261491 /nfs/dbraw/zinc/26/14/91/449261491.db2.gz OKAPOGWBPFMNND-UHFFFAOYSA-N 1 0 349.387 1.924 20 5 EDBDRO Cc1ccc([C@H](C)[NH2+]CCCN2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000611335567 449265807 /nfs/dbraw/zinc/26/58/07/449265807.db2.gz JKXGAUNMFUHJPF-ZDUSSCGKSA-N 1 0 341.433 1.979 20 5 EDBDRO CN(CC1C[NH+](C)C1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000598161215 449266401 /nfs/dbraw/zinc/26/64/01/449266401.db2.gz CQWAZSHRDWNGKO-UHFFFAOYSA-N 1 0 342.193 1.991 20 5 EDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611223179 449224673 /nfs/dbraw/zinc/22/46/73/449224673.db2.gz BNRDKPSSGWRTFH-RYUDHWBXSA-N 1 0 335.360 1.370 20 5 EDBDRO C[NH2+]C[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000595982661 449297107 /nfs/dbraw/zinc/29/71/07/449297107.db2.gz LAVAEXOAWXBDKF-QMMMGPOBSA-N 1 0 330.182 1.624 20 5 EDBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593911190 449280866 /nfs/dbraw/zinc/28/08/66/449280866.db2.gz FMUZIASQQCGYAM-INMHGKMJSA-N 1 0 347.415 1.882 20 5 EDBDRO O=c1[nH]ccc(NCC[NH+]2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596079037 449352074 /nfs/dbraw/zinc/35/20/74/449352074.db2.gz ZSQPCQNWPPWJMM-UHFFFAOYSA-N 1 0 343.387 1.930 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000594105412 449356981 /nfs/dbraw/zinc/35/69/81/449356981.db2.gz BXODLXVBADPOFT-VDISTLRHSA-N 1 0 349.387 1.842 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)nc1 ZINC000593537115 449332117 /nfs/dbraw/zinc/33/21/17/449332117.db2.gz FRFYAADWPAQXMO-CYBMUJFWSA-N 1 0 340.405 1.239 20 5 EDBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593542041 449336408 /nfs/dbraw/zinc/33/64/08/449336408.db2.gz DNDOCDUUWFHQDN-VXGBXAGGSA-N 1 0 342.421 1.531 20 5 EDBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593545788 449338530 /nfs/dbraw/zinc/33/85/30/449338530.db2.gz VVUAJPJMFOYPKA-GFCCVEGCSA-N 1 0 342.421 1.533 20 5 EDBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1(C)C ZINC000602168281 449399829 /nfs/dbraw/zinc/39/98/29/449399829.db2.gz BWXBJMVJOIRMIO-CHWSQXEVSA-N 1 0 335.360 1.782 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000598449527 449399890 /nfs/dbraw/zinc/39/98/90/449399890.db2.gz SFRTZJAYAAOVDH-SJKOYZFVSA-N 1 0 344.371 1.871 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000598453082 449402538 /nfs/dbraw/zinc/40/25/38/449402538.db2.gz OETSOXGLUWCPGW-LLVKDONJSA-N 1 0 325.390 1.328 20 5 EDBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)c2c1 ZINC000611711122 449390570 /nfs/dbraw/zinc/39/05/70/449390570.db2.gz RTXKFPCDKVXKDO-JKSUJKDBSA-N 1 0 343.387 1.573 20 5 EDBDRO CC[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000598536808 449452946 /nfs/dbraw/zinc/45/29/46/449452946.db2.gz XVVCYZGCJWCRRI-GXTWGEPZSA-N 1 0 348.403 1.314 20 5 EDBDRO COc1cc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000598572092 449470641 /nfs/dbraw/zinc/47/06/41/449470641.db2.gz KYRUDXLPLKTPTR-GFCCVEGCSA-N 1 0 325.340 1.813 20 5 EDBDRO C[C@@H](CN(C)CCC[NH+](C)C)N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000596360354 449482169 /nfs/dbraw/zinc/48/21/69/449482169.db2.gz JTDJJSYAXRPJGI-LBPRGKRZSA-N 1 0 334.424 1.577 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000600669279 449482755 /nfs/dbraw/zinc/48/27/55/449482755.db2.gz LDLAFDHYHXILSB-WDNDVIMCSA-N 1 0 339.417 1.392 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1C ZINC000600669963 449483439 /nfs/dbraw/zinc/48/34/39/449483439.db2.gz YEPLGVOCTUDPAR-NHAGDIPZSA-N 1 0 339.417 1.392 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC2=CC[N@H+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000598606845 449489774 /nfs/dbraw/zinc/48/97/74/449489774.db2.gz KGWBCEZJGRIGFD-UHFFFAOYSA-N 1 0 339.417 1.752 20 5 EDBDRO Cn1ccnc1C(=O)c1ccc(N2CC(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000596247457 449437498 /nfs/dbraw/zinc/43/74/98/449437498.db2.gz OVVWMFUWOJFLQZ-UHFFFAOYSA-N 1 0 343.387 1.557 20 5 EDBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000598666176 449529122 /nfs/dbraw/zinc/52/91/22/449529122.db2.gz UUUANSKENLPWPS-AWEZNQCLSA-N 1 0 347.375 1.069 20 5 EDBDRO COc1cc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000598668088 449529437 /nfs/dbraw/zinc/52/94/37/449529437.db2.gz PPSQFNBUOVAFSI-HWPZZCPQSA-N 1 0 335.360 1.565 20 5 EDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000598668323 449529697 /nfs/dbraw/zinc/52/96/97/449529697.db2.gz SUQRRZZTRKEVNE-DYVFJYSZSA-N 1 0 346.387 1.055 20 5 EDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cc(=O)[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC000598668239 449529910 /nfs/dbraw/zinc/52/99/10/449529910.db2.gz QXZVLBPGUWAUFV-QGHHPUGFSA-N 1 0 342.355 1.802 20 5 EDBDRO Cc1ccc(C(C)(C)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)nc1 ZINC000600752847 449534552 /nfs/dbraw/zinc/53/45/52/449534552.db2.gz HNPFKHNSWAWRFP-AWEZNQCLSA-N 1 0 333.392 1.423 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594482713 449547122 /nfs/dbraw/zinc/54/71/22/449547122.db2.gz CTFRSEYAWDSGIN-STQMWFEESA-N 1 0 339.417 1.890 20 5 EDBDRO Cn1ccnc1[C@H](NCCOCCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000600710545 449509120 /nfs/dbraw/zinc/50/91/20/449509120.db2.gz OMLULZNBOWXIRY-OAHLLOKOSA-N 1 0 333.392 1.373 20 5 EDBDRO C[NH2+]CC1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CC1 ZINC000598716231 449559780 /nfs/dbraw/zinc/55/97/80/449559780.db2.gz BZYRQTVBBLPNKZ-UHFFFAOYSA-N 1 0 341.433 1.832 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598720318 449561391 /nfs/dbraw/zinc/56/13/91/449561391.db2.gz OGGKNZQQCNGQKJ-RISCZKNCSA-N 1 0 325.390 1.405 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598722603 449563009 /nfs/dbraw/zinc/56/30/09/449563009.db2.gz BUILYJFDZJQTHR-IUODEOHRSA-N 1 0 339.417 1.659 20 5 EDBDRO COc1cc2c(cc1OC)CC[NH+](Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000602453947 449600429 /nfs/dbraw/zinc/60/04/29/449600429.db2.gz LFUIQKTXRVMELF-UHFFFAOYSA-N 1 0 346.387 1.946 20 5 EDBDRO C[C@@H]1CC[C@@H](Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])C[NH2+]1 ZINC000600955048 449615320 /nfs/dbraw/zinc/61/53/20/449615320.db2.gz IXYPAVMQPTZENV-TZMCWYRMSA-N 1 0 348.403 1.620 20 5 EDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCc3c2cnn3CCO)cc1 ZINC000602527588 449651646 /nfs/dbraw/zinc/65/16/46/449651646.db2.gz QVJVNFXUUYVAGX-MRXNPFEDSA-N 1 0 330.388 1.993 20 5 EDBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594750708 449666814 /nfs/dbraw/zinc/66/68/14/449666814.db2.gz NKEJXCCRDQIJHU-UHFFFAOYSA-N 1 0 342.421 1.485 20 5 EDBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594756820 449671784 /nfs/dbraw/zinc/67/17/84/449671784.db2.gz JXTDBSLLTLDNES-GFCCVEGCSA-N 1 0 342.421 1.342 20 5 EDBDRO C[C@H](CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000598895905 449634043 /nfs/dbraw/zinc/63/40/43/449634043.db2.gz ARVXHMWWEBFVGD-LLVKDONJSA-N 1 0 349.391 1.315 20 5 EDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598904061 449640386 /nfs/dbraw/zinc/64/03/86/449640386.db2.gz VJJXQVIMNMAIMC-SMDDNHRTSA-N 1 0 349.391 1.267 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000598914076 449644200 /nfs/dbraw/zinc/64/42/00/449644200.db2.gz WYRJWJUSTXECHV-NTZNESFSSA-N 1 0 332.360 1.038 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000598914073 449644709 /nfs/dbraw/zinc/64/47/09/449644709.db2.gz WYRJWJUSTXECHV-DMDPSCGWSA-N 1 0 332.360 1.038 20 5 EDBDRO COCCC[N@H+](C)CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601119800 449701394 /nfs/dbraw/zinc/70/13/94/449701394.db2.gz WFVXPXUWQGUAJE-UHFFFAOYSA-N 1 0 339.318 1.727 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+]C[C@H]2C(C)C)c1C ZINC000599100249 449732072 /nfs/dbraw/zinc/73/20/72/449732072.db2.gz HDDIQLIDPABBSN-AWEZNQCLSA-N 1 0 341.433 1.830 20 5 EDBDRO CN1CCOC[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000599004653 449692239 /nfs/dbraw/zinc/69/22/39/449692239.db2.gz WBKOOWBSYNGZJP-GFCCVEGCSA-N 1 0 331.319 1.616 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3C[C@@H](O)C34CCC4)CC2)cn1 ZINC000602718662 449766263 /nfs/dbraw/zinc/76/62/63/449766263.db2.gz SLMGYZMFUAYBGU-LSDHHAIUSA-N 1 0 332.404 1.852 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000614712585 449766993 /nfs/dbraw/zinc/76/69/93/449766993.db2.gz KOKFLQXGVPAOQO-VXGBXAGGSA-N 1 0 337.376 1.825 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@H](O)C(F)F)CC2)cn1 ZINC000602736123 449774151 /nfs/dbraw/zinc/77/41/51/449774151.db2.gz MLKYCHIETNPOKY-LBPRGKRZSA-N 1 0 330.335 1.564 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCN(Cc2cccc(O)c2)CC1 ZINC000602793750 449813526 /nfs/dbraw/zinc/81/35/26/449813526.db2.gz KLYFPNQZVUFWHJ-UHFFFAOYSA-N 1 0 345.403 1.623 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C[S@@](C)=O)c1ccccc1 ZINC000602804502 449822712 /nfs/dbraw/zinc/82/27/12/449822712.db2.gz HLWRXPZKBVOMEV-QKFKETGDSA-N 1 0 336.417 1.809 20 5 EDBDRO COc1ccc(OCCN2CCC([NH2+]CCO)CC2)c([N+](=O)[O-])c1 ZINC000601328624 449836473 /nfs/dbraw/zinc/83/64/73/449836473.db2.gz UVOYYOFEHUKAEC-UHFFFAOYSA-N 1 0 339.392 1.029 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601351382 449863693 /nfs/dbraw/zinc/86/36/93/449863693.db2.gz GDKIODQUCXYVEE-GXTWGEPZSA-N 1 0 339.417 1.666 20 5 EDBDRO CC1(C)CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)CCN1CCO ZINC000614895409 449863895 /nfs/dbraw/zinc/86/38/95/449863895.db2.gz SHIZYDCHKJWUHS-UHFFFAOYSA-N 1 0 346.387 1.605 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000595089827 449865165 /nfs/dbraw/zinc/86/51/65/449865165.db2.gz MVEYCHYVOCKYCH-LBPRGKRZSA-N 1 0 348.403 1.831 20 5 EDBDRO COC(=O)[C@]12C[N@H+](CCn3c(C)ncc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC000602873290 449881210 /nfs/dbraw/zinc/88/12/10/449881210.db2.gz IQTFZAGGUZISHE-CZUORRHYSA-N 1 0 336.392 1.765 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@H](C)[NH+](C)C ZINC000595123895 449883539 /nfs/dbraw/zinc/88/35/39/449883539.db2.gz AARLOVPIWJUKQO-LBPRGKRZSA-N 1 0 336.392 1.607 20 5 EDBDRO Cc1sc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000601420699 449937068 /nfs/dbraw/zinc/93/70/68/449937068.db2.gz FKUHXQPGXOMLEI-PSASIEDQSA-N 1 0 333.435 1.678 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000601422812 449941887 /nfs/dbraw/zinc/94/18/87/449941887.db2.gz ZVWGDJCMAYCLTF-STQMWFEESA-N 1 0 341.433 1.925 20 5 EDBDRO CC1([NH+]2CCCC2)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000602950810 449952904 /nfs/dbraw/zinc/95/29/04/449952904.db2.gz NOEWOGYOQLXITN-OAHLLOKOSA-N 1 0 337.424 1.103 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000595153511 449905749 /nfs/dbraw/zinc/90/57/49/449905749.db2.gz WEEVPVCZRDKSGN-UHFFFAOYSA-N 1 0 334.376 1.116 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC[N@@H+](C)C(C)C)c(F)cc1[N+](=O)[O-] ZINC000601400015 449916096 /nfs/dbraw/zinc/91/60/96/449916096.db2.gz WFFIRYPVHQADQS-UHFFFAOYSA-N 1 0 333.385 1.661 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000595226208 449958940 /nfs/dbraw/zinc/95/89/40/449958940.db2.gz RHTDNSFBBATRSK-UKRRQHHQSA-N 1 0 348.403 1.137 20 5 EDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595260787 449983498 /nfs/dbraw/zinc/98/34/98/449983498.db2.gz KYEWBMZYSUZLGK-OASPWFOLSA-N 1 0 327.381 1.973 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@H]2CCCC[N@@H+](C)C2)c([N+](=O)[O-])s1 ZINC000601474761 449998191 /nfs/dbraw/zinc/99/81/91/449998191.db2.gz SRHWOTFKDWNPEC-LLVKDONJSA-N 1 0 347.462 1.975 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000609268795 449996191 /nfs/dbraw/zinc/99/61/91/449996191.db2.gz BWPYPYKZUSFVCD-GFCCVEGCSA-N 1 0 346.387 1.917 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000609467502 450032858 /nfs/dbraw/zinc/03/28/58/450032858.db2.gz QTOXWSZSJLUWSS-UKRRQHHQSA-N 1 0 348.403 1.900 20 5 EDBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000603051823 450035944 /nfs/dbraw/zinc/03/59/44/450035944.db2.gz FJYWAZRHUUSSJU-JKSUJKDBSA-N 1 0 349.431 1.736 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC000615297098 450052471 /nfs/dbraw/zinc/05/24/71/450052471.db2.gz PCWJLSKVERLIAY-VXGBXAGGSA-N 1 0 343.405 1.364 20 5 EDBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(=O)N(C)C ZINC000609845773 450104067 /nfs/dbraw/zinc/10/40/67/450104067.db2.gz OLDCWBAQUIYJMJ-UHFFFAOYSA-N 1 0 336.392 1.642 20 5 EDBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000613390132 450161574 /nfs/dbraw/zinc/16/15/74/450161574.db2.gz XTLBJHHKCXZGDB-CJNGLKHVSA-N 1 0 331.372 1.511 20 5 EDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000597699327 450206181 /nfs/dbraw/zinc/20/61/81/450206181.db2.gz JQCINZRWCFEFHJ-GWCFXTLKSA-N 1 0 335.360 1.531 20 5 EDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000597701411 450207410 /nfs/dbraw/zinc/20/74/10/450207410.db2.gz SSBAVKVZNHZQHW-LKFCYVNXSA-N 1 0 327.331 1.967 20 5 EDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CCN1CCCS1(=O)=O ZINC000610615069 450273363 /nfs/dbraw/zinc/27/33/63/450273363.db2.gz NLAPWXJQLHGADN-GFCCVEGCSA-N 1 0 327.406 1.623 20 5 EDBDRO C[NH+](C)CCn1cc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000610477977 450235117 /nfs/dbraw/zinc/23/51/17/450235117.db2.gz AHDXIQAZJFDIRF-UHFFFAOYSA-N 1 0 346.391 1.717 20 5 EDBDRO C[NH+](C)CCOCCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832614 450240442 /nfs/dbraw/zinc/24/04/42/450240442.db2.gz GJSMZZHQMFDMPQ-UHFFFAOYSA-N 1 0 347.375 1.843 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CCCC[NH+](C)C ZINC000610519149 450252077 /nfs/dbraw/zinc/25/20/77/450252077.db2.gz UYZRVEZCQGUYDT-UHFFFAOYSA-N 1 0 329.422 1.866 20 5 EDBDRO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)c2ccccc2O1 ZINC000610764805 450327030 /nfs/dbraw/zinc/32/70/30/450327030.db2.gz UZTUAVDHJZTTBZ-LLVKDONJSA-N 1 0 330.344 1.892 20 5 EDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165856797 534568704 /nfs/dbraw/zinc/56/87/04/534568704.db2.gz DCWPMFWMZHEGFM-JTQLQIEISA-N 1 0 328.166 1.839 20 5 EDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000176890640 527717532 /nfs/dbraw/zinc/71/75/32/527717532.db2.gz ZZBNNRFGCTXJGP-ZDUSSCGKSA-N 1 0 339.392 1.690 20 5 EDBDRO CC(C)NC(=O)c1ccc(NC[C@@](C)(O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000133073021 527725947 /nfs/dbraw/zinc/72/59/47/527725947.db2.gz BZKIGKOYTHGZQY-MRXNPFEDSA-N 1 0 338.408 1.458 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000173922657 527836863 /nfs/dbraw/zinc/83/68/63/527836863.db2.gz TYDJZDZSJOEPAX-ZBFHGGJFSA-N 1 0 337.420 1.608 20 5 EDBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000160047163 528669133 /nfs/dbraw/zinc/66/91/33/528669133.db2.gz ZVLIKFFECLECSK-NEPJUHHUSA-N 1 0 339.396 1.185 20 5 EDBDRO CCC[NH2+]CCNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000236858330 535172501 /nfs/dbraw/zinc/17/25/01/535172501.db2.gz IULOYPYZBPBRLK-UHFFFAOYSA-N 1 0 332.364 1.213 20 5 EDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000249191620 535765857 /nfs/dbraw/zinc/76/58/57/535765857.db2.gz PIJCEABCCCGGDY-SWLSCSKDSA-N 1 0 348.403 1.722 20 5 EDBDRO C[NH+](C)C[C@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000340425023 535967719 /nfs/dbraw/zinc/96/77/19/535967719.db2.gz CEZFHSINAXTGLU-ZDUSSCGKSA-N 1 0 335.404 1.661 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCC[NH+]1CCOCC1 ZINC000339951593 536406959 /nfs/dbraw/zinc/40/69/59/536406959.db2.gz PQIFQTNQAKLAKX-UHFFFAOYSA-N 1 0 336.392 1.479 20 5 EDBDRO COc1cc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc([N+](=O)[O-])c1OC ZINC000269300216 536519076 /nfs/dbraw/zinc/51/90/76/536519076.db2.gz XEXXHSYXWONPTK-PWSUYJOCSA-N 1 0 337.376 1.859 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000726602241 578351169 /nfs/dbraw/zinc/35/11/69/578351169.db2.gz CQLZFDVPMFGWDW-NSHDSACASA-N 1 0 345.396 1.744 20 5 EDBDRO Cc1c(CO)cc([N+](=O)[O-])c(N2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000732043865 578688239 /nfs/dbraw/zinc/68/82/39/578688239.db2.gz TZRODLUCJFVNEI-GFCCVEGCSA-N 1 0 336.348 1.588 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc([N+](=O)[O-])c1 ZINC000733165195 578745459 /nfs/dbraw/zinc/74/54/59/578745459.db2.gz IGCGRKNMSSPFCW-CQSZACIVSA-N 1 0 337.376 1.697 20 5 EDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000734446699 578814657 /nfs/dbraw/zinc/81/46/57/578814657.db2.gz BKWOYNJXFKBJJE-GFCCVEGCSA-N 1 0 339.367 1.913 20 5 EDBDRO Cc1nn(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000746644331 579604646 /nfs/dbraw/zinc/60/46/46/579604646.db2.gz BHVSJGAWKSTNKP-RBSFLKMASA-N 1 0 337.424 1.549 20 5 EDBDRO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000747216121 579633730 /nfs/dbraw/zinc/63/37/30/579633730.db2.gz JTEVISXHGZSLJI-DZGCQCFKSA-N 1 0 339.367 1.778 20 5 EDBDRO CC[N@@H+]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000754222767 579898792 /nfs/dbraw/zinc/89/87/92/579898792.db2.gz CVGBKYMWACZKEM-GFCCVEGCSA-N 1 0 331.376 1.497 20 5 EDBDRO COc1ccc(NC(=O)CC[NH2+][C@H](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000763070087 580091981 /nfs/dbraw/zinc/09/19/81/580091981.db2.gz WEGJGGJGVIXYSA-CYBMUJFWSA-N 1 0 337.376 1.683 20 5 EDBDRO O=C(C1CC1)N1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765850246 580152636 /nfs/dbraw/zinc/15/26/36/580152636.db2.gz VZOBWSAMHRNWGP-MRXNPFEDSA-N 1 0 333.388 1.619 20 5 EDBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000771793374 580294147 /nfs/dbraw/zinc/29/41/47/580294147.db2.gz BBLFNPGDQFCDIW-ZWNOBZJWSA-N 1 0 337.376 1.681 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(O[C@@H]3CCOC3)CC2)cc1 ZINC000776276000 580413667 /nfs/dbraw/zinc/41/36/67/580413667.db2.gz FPOGPKFBAOAIRH-IAGOWNOFSA-N 1 0 336.388 1.898 20 5 EDBDRO COC[C@@](C)(CC(=O)OC)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591521 580423023 /nfs/dbraw/zinc/42/30/23/580423023.db2.gz OEZKDDPFVRUCGA-UKRRQHHQSA-N 1 0 326.349 1.186 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[N@H+]1CCC[C@H]1C ZINC000780868845 580536232 /nfs/dbraw/zinc/53/62/32/580536232.db2.gz ZVOMIHSMHFLGPM-CYBMUJFWSA-N 1 0 341.433 1.974 20 5 EDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000783921071 580608435 /nfs/dbraw/zinc/60/84/35/580608435.db2.gz QTXPGSAWAAMXEH-CYBMUJFWSA-N 1 0 343.387 1.995 20 5 EDBDRO O=C1C[C@@]2(CC[N@@H+](Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C2)CN1 ZINC000788380637 580719961 /nfs/dbraw/zinc/71/99/61/580719961.db2.gz DYYOFYZZGCOKMW-INIZCTEOSA-N 1 0 342.359 1.023 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](O)C(F)(F)F ZINC000788989416 580734292 /nfs/dbraw/zinc/73/42/92/580734292.db2.gz YNSGEIXHZQQNBS-KCJUWKMLSA-N 1 0 335.282 1.825 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000790267416 580765420 /nfs/dbraw/zinc/76/54/20/580765420.db2.gz PYPZUAFCNPHFCO-IUCAKERBSA-N 1 0 325.752 1.690 20 5 EDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000792876015 580829941 /nfs/dbraw/zinc/82/99/41/580829941.db2.gz KDYPCCHGSFAAEV-CYBMUJFWSA-N 1 0 325.321 1.380 20 5 EDBDRO C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801544868 581079442 /nfs/dbraw/zinc/07/94/42/581079442.db2.gz VOKYTRFMOWIBRZ-MFKMUULPSA-N 1 0 345.396 1.494 20 5 EDBDRO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC000893282737 590752558 /nfs/dbraw/zinc/75/25/58/590752558.db2.gz GPPCRYGMYKVKIE-GXTWGEPZSA-N 1 0 341.795 1.974 20 5 EDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000804775284 590765532 /nfs/dbraw/zinc/76/55/32/590765532.db2.gz BRUVJVVJZXPJCD-AWEZNQCLSA-N 1 0 349.387 1.777 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000892203218 590862977 /nfs/dbraw/zinc/86/29/77/590862977.db2.gz SDSZSHAQWWOCTL-GFCCVEGCSA-N 1 0 336.392 1.887 20 5 EDBDRO Cn1c2ccccc2c(N2CC[C@H]3C[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1=O ZINC000893938788 591143772 /nfs/dbraw/zinc/14/37/72/591143772.db2.gz GDGXTGIEFPMSDK-FZMZJTMJSA-N 1 0 328.372 1.587 20 5 EDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000893982571 591153305 /nfs/dbraw/zinc/15/33/05/591153305.db2.gz WOFVJCTUEYTIKN-YPMHNXCESA-N 1 0 330.388 1.976 20 5 EDBDRO COC(=O)[C@H]1[C@@H](CN(CC[NH3+])c2ccccc2[N+](=O)[O-])C1(F)F ZINC000894762304 591413318 /nfs/dbraw/zinc/41/33/18/591413318.db2.gz VKQINOCVBBABGF-BXKDBHETSA-N 1 0 329.303 1.414 20 5 EDBDRO CCOC(=O)c1ccnc(N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000894796823 591420000 /nfs/dbraw/zinc/42/00/00/591420000.db2.gz FDKWXJWDLURCLL-IAGOWNOFSA-N 1 0 348.403 1.945 20 5 EDBDRO C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896541025 591504621 /nfs/dbraw/zinc/50/46/21/591504621.db2.gz BZJQMUFHUCFWGA-ZENOOKHLSA-N 1 0 334.420 1.449 20 5 EDBDRO C[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000896581662 591542174 /nfs/dbraw/zinc/54/21/74/591542174.db2.gz NAEWTCQVQNWGCV-QMTHXVAHSA-N 1 0 340.811 1.612 20 5 EDBDRO C[C@H](Nc1nc2c(cc1[N+](=O)[O-])CCCC2)[C@@H]1C[N@H+](C)CCN1C ZINC000895247889 591681074 /nfs/dbraw/zinc/68/10/74/591681074.db2.gz JOHKOEBSRJQTBY-LRDDRELGSA-N 1 0 333.436 1.915 20 5 EDBDRO COc1nn(C)cc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000898024971 591760272 /nfs/dbraw/zinc/76/02/72/591760272.db2.gz BDLCKJCORIZSLU-UHFFFAOYSA-N 1 0 346.391 1.491 20 5 EDBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000898067642 591772089 /nfs/dbraw/zinc/77/20/89/591772089.db2.gz HZHMKXRFELACFH-MRXNPFEDSA-N 1 0 341.383 1.485 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897221865 591776658 /nfs/dbraw/zinc/77/66/58/591776658.db2.gz PPUNBKKTXPHKJM-NEPJUHHUSA-N 1 0 326.784 1.679 20 5 EDBDRO O=C(COc1cc(F)ccc1[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000023209753 591899333 /nfs/dbraw/zinc/89/93/33/591899333.db2.gz IYBUQPUDAGJATK-UHFFFAOYSA-N 1 0 337.351 1.856 20 5 EDBDRO [NH3+][C@@H]1CC[C@H](CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000900403746 592008960 /nfs/dbraw/zinc/00/89/60/592008960.db2.gz WTPXNYKUFMJFJB-DZGCQCFKSA-N 1 0 334.420 1.966 20 5 EDBDRO COC[C@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])cc1Br ZINC000900451682 592021105 /nfs/dbraw/zinc/02/11/05/592021105.db2.gz VSGPFPGSSKBXDL-SNVBAGLBSA-N 1 0 330.182 1.782 20 5 EDBDRO Cn1nnnc1CCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000903348554 592157091 /nfs/dbraw/zinc/15/70/91/592157091.db2.gz GBSSVPGPMFNQNS-AWEZNQCLSA-N 1 0 330.392 1.662 20 5 EDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000900911891 592169694 /nfs/dbraw/zinc/16/96/94/592169694.db2.gz GJUQQYRHJLGVBJ-LBPRGKRZSA-N 1 0 349.387 1.828 20 5 EDBDRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000903577910 592228584 /nfs/dbraw/zinc/22/85/84/592228584.db2.gz YFMKQMBNFUHARJ-ZDUSSCGKSA-N 1 0 341.433 1.974 20 5 EDBDRO C[N@@H+]1C[C@@H]2CN(Cn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@]2(C)C1 ZINC000904436930 592257227 /nfs/dbraw/zinc/25/72/27/592257227.db2.gz PBTNLTIQKZMHEL-BZNIZROVSA-N 1 0 332.360 1.344 20 5 EDBDRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000904471387 592268624 /nfs/dbraw/zinc/26/86/24/592268624.db2.gz ALHIIBVQAKFXDA-VIFPVBQESA-N 1 0 328.756 1.700 20 5 EDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@@]1(O)CCC[N@@H+](C)C1)CC2 ZINC000901316509 592338948 /nfs/dbraw/zinc/33/89/48/592338948.db2.gz DFDJPDCOGYKBKP-KRWDZBQOSA-N 1 0 333.388 1.639 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@]12CC[NH2+]C2 ZINC000903865968 592341445 /nfs/dbraw/zinc/34/14/45/592341445.db2.gz FVLMHIFLSMCKGC-QGZVFWFLSA-N 1 0 346.387 1.721 20 5 EDBDRO COC[C@H]1C[NH2+]CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000903876572 592357178 /nfs/dbraw/zinc/35/71/78/592357178.db2.gz YYIOUMGSIHZQDX-LLVKDONJSA-N 1 0 342.783 1.107 20 5 EDBDRO C[NH+](C)C[C@H](CO)NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000908199429 592377008 /nfs/dbraw/zinc/37/70/08/592377008.db2.gz DYRAQILPZSWIJV-LLVKDONJSA-N 1 0 329.784 1.220 20 5 EDBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000908200838 592378579 /nfs/dbraw/zinc/37/85/79/592378579.db2.gz APNWFJIGRXYSOX-LBPRGKRZSA-N 1 0 341.795 1.743 20 5 EDBDRO C/C(=C/C(=O)N[C@H](CO)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000908204656 592381503 /nfs/dbraw/zinc/38/15/03/592381503.db2.gz SGLWUBWCNGCRRT-WVUXNXBLSA-N 1 0 333.388 1.571 20 5 EDBDRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000908206437 592384075 /nfs/dbraw/zinc/38/40/75/592384075.db2.gz RWQONISXYQUFKI-JTQLQIEISA-N 1 0 345.758 1.574 20 5 EDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000907113992 592517063 /nfs/dbraw/zinc/51/70/63/592517063.db2.gz GCBRHQJHTOFTEY-OAHLLOKOSA-N 1 0 343.811 1.610 20 5 EDBDRO CC(C)(O)C[C@@H](O)C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000905425773 592531549 /nfs/dbraw/zinc/53/15/49/592531549.db2.gz AUWQDJZTHSSGAT-LLVKDONJSA-N 1 0 347.209 1.969 20 5 EDBDRO CO[C@@]1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCSC1 ZINC000905546988 592558089 /nfs/dbraw/zinc/55/80/89/592558089.db2.gz QTFRFGIINCFOSV-SWLSCSKDSA-N 1 0 342.417 1.446 20 5 EDBDRO COC[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000905616131 592594702 /nfs/dbraw/zinc/59/47/02/592594702.db2.gz GXOSYKLZZOSPLA-ZDUSSCGKSA-N 1 0 344.433 1.877 20 5 EDBDRO CC1(C)CCN(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000905679774 592609978 /nfs/dbraw/zinc/60/99/78/592609978.db2.gz TVYCZTBPINXLEU-AWEZNQCLSA-N 1 0 337.420 1.656 20 5 EDBDRO COC(=O)Cc1ccc(N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000905710310 592619604 /nfs/dbraw/zinc/61/96/04/592619604.db2.gz IMVXVOYXGMVJMO-NXEZZACHSA-N 1 0 347.293 1.636 20 5 EDBDRO Cc1nn(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000905694538 592624887 /nfs/dbraw/zinc/62/48/87/592624887.db2.gz BYODDHJLWFOSPY-GFCCVEGCSA-N 1 0 332.360 1.905 20 5 EDBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C[C@]1(O)CCOC1 ZINC000905926991 592685405 /nfs/dbraw/zinc/68/54/05/592685405.db2.gz XUOWETHHMROVGY-IAGOWNOFSA-N 1 0 338.404 1.708 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000910206255 592801389 /nfs/dbraw/zinc/80/13/89/592801389.db2.gz URMBBKJLSKONBA-OAHLLOKOSA-N 1 0 344.371 1.917 20 5 EDBDRO Cc1c(CC(=O)N(CCO)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000911940351 593040060 /nfs/dbraw/zinc/04/00/60/593040060.db2.gz LTZHYJUGJVVXKG-UHFFFAOYSA-N 1 0 335.404 1.361 20 5 EDBDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000805825907 593150259 /nfs/dbraw/zinc/15/02/59/593150259.db2.gz KELLZJJEZYEKIU-HUUCEWRRSA-N 1 0 337.376 1.839 20 5 EDBDRO CC[C@H]1C[N@H+](C)CCN1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000840092964 593167919 /nfs/dbraw/zinc/16/79/19/593167919.db2.gz CYSSRYUOZVZISF-AWEZNQCLSA-N 1 0 330.392 1.837 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](C[C@H](O)C4CC4)CC3)nc2c1 ZINC000838934503 593241543 /nfs/dbraw/zinc/24/15/43/593241543.db2.gz XMTOOXUENHDHHW-INIZCTEOSA-N 1 0 345.403 1.754 20 5 EDBDRO O=C(CCN1CCN(c2ncccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000839032773 593255819 /nfs/dbraw/zinc/25/58/19/593255819.db2.gz STQVWDRUGVSULZ-UHFFFAOYSA-N 1 0 333.392 1.124 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000839549459 593338812 /nfs/dbraw/zinc/33/88/12/593338812.db2.gz ZGDZLQPEXLCOPU-IAGOWNOFSA-N 1 0 329.400 1.701 20 5 EDBDRO C[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000761665943 593420279 /nfs/dbraw/zinc/42/02/79/593420279.db2.gz VYSGBYMLYPTPIO-VBNZEHGJSA-N 1 0 333.388 1.678 20 5 EDBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813516450 593537817 /nfs/dbraw/zinc/53/78/17/593537817.db2.gz DHDNXNVENNLXOL-ZDUSSCGKSA-N 1 0 348.186 1.698 20 5 EDBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCCO1 ZINC000817994710 593654755 /nfs/dbraw/zinc/65/47/55/593654755.db2.gz HPBGORWVHZLILP-JTQLQIEISA-N 1 0 345.758 1.425 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818015734 593657400 /nfs/dbraw/zinc/65/74/00/593657400.db2.gz COFDAFZFJAGHKR-INIZCTEOSA-N 1 0 333.344 1.334 20 5 EDBDRO C[C@@H]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H]1C[NH3+] ZINC000818518735 593702064 /nfs/dbraw/zinc/70/20/64/593702064.db2.gz OQVGOPWFIZADCK-ABAIWWIYSA-N 1 0 331.376 1.530 20 5 EDBDRO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)[N@H+]1C ZINC000818621022 593708428 /nfs/dbraw/zinc/70/84/28/593708428.db2.gz JIGXHUIESMNVGM-PHIMTYICSA-N 1 0 325.340 1.664 20 5 EDBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000818947290 593729568 /nfs/dbraw/zinc/72/95/68/593729568.db2.gz BDWWOVSRQITXSS-PBHICJAKSA-N 1 0 328.372 1.874 20 5 EDBDRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819076264 593737471 /nfs/dbraw/zinc/73/74/71/593737471.db2.gz WWJRMMJUHGNILG-FMKPAKJESA-N 1 0 335.404 1.865 20 5 EDBDRO CC1(C)OC[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000819155670 593741922 /nfs/dbraw/zinc/74/19/22/593741922.db2.gz OYPGVQGELYBDTK-OCCSQVGLSA-N 1 0 326.349 1.076 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2COC3(CCOCC3)O2)cc1 ZINC000819215456 593744662 /nfs/dbraw/zinc/74/46/62/593744662.db2.gz HRQQWYFKWGCCTQ-GJZGRUSLSA-N 1 0 338.360 1.140 20 5 EDBDRO C[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC000820656575 593854762 /nfs/dbraw/zinc/85/47/62/593854762.db2.gz GPAKISBBVPGWHO-QWRGUYRKSA-N 1 0 331.380 1.694 20 5 EDBDRO C[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000820711284 593868701 /nfs/dbraw/zinc/86/87/01/593868701.db2.gz VUIKBQUNPURDNU-WDEREUQCSA-N 1 0 346.395 1.702 20 5 EDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821623811 593884499 /nfs/dbraw/zinc/88/44/99/593884499.db2.gz SYPUBDFESSYCIW-OLZOCXBDSA-N 1 0 343.391 1.695 20 5 EDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821623199 593884895 /nfs/dbraw/zinc/88/48/95/593884895.db2.gz GASYWEXKLBFHAY-SMDDNHRTSA-N 1 0 343.391 1.695 20 5 EDBDRO O=C(NCC[NH+]1CCC(O)CC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000821870001 593957718 /nfs/dbraw/zinc/95/77/18/593957718.db2.gz FPUJHXUJBGUDBU-HZPDHXFCSA-N 1 0 333.388 1.271 20 5 EDBDRO CC(C)(CCc1noc(-c2cn([C@@H]3CCC[NH2+]C3)nn2)n1)[N+](=O)[O-] ZINC000823234980 594173398 /nfs/dbraw/zinc/17/33/98/594173398.db2.gz ODQVXGNKJNKFIC-SNVBAGLBSA-N 1 0 335.368 1.241 20 5 EDBDRO CCC1([NH+]2CCC2)CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000829691254 594241242 /nfs/dbraw/zinc/24/12/42/594241242.db2.gz ZTZSWLPUEYGWEK-UHFFFAOYSA-N 1 0 335.408 1.577 20 5 EDBDRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000827157412 594648960 /nfs/dbraw/zinc/64/89/60/594648960.db2.gz BGKMWCKIPQYKIU-UHFFFAOYSA-N 1 0 342.827 1.700 20 5 EDBDRO CCO[C@@H](CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000831724078 594696525 /nfs/dbraw/zinc/69/65/25/594696525.db2.gz LWXNYSPZTFFFRN-ZDUSSCGKSA-N 1 0 339.392 1.608 20 5 EDBDRO CC1([NH+]2CCCCC2)CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000832249115 594738000 /nfs/dbraw/zinc/73/80/00/594738000.db2.gz RIOGGBZFTFRXSB-UHFFFAOYSA-N 1 0 335.408 1.658 20 5 EDBDRO C/C(=C\C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000841457143 594903744 /nfs/dbraw/zinc/90/37/44/594903744.db2.gz ORIOAEZLBSHELF-XEZFYOOLSA-N 1 0 347.415 1.912 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843370992 595091177 /nfs/dbraw/zinc/09/11/77/595091177.db2.gz ADMBBMNZXGOKJM-CYBMUJFWSA-N 1 0 341.795 1.975 20 5 EDBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000834382348 595107373 /nfs/dbraw/zinc/10/73/73/595107373.db2.gz LIWIVZOXGAJCNI-LBPRGKRZSA-N 1 0 335.320 1.192 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1F ZINC000842480346 595116953 /nfs/dbraw/zinc/11/69/53/595116953.db2.gz VDDKVXHFIMGVMC-UWVGGRQHSA-N 1 0 331.369 1.448 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)cc([N+](=O)[O-])c1F ZINC000842482568 595118768 /nfs/dbraw/zinc/11/87/68/595118768.db2.gz BFWLDYXFXBGWMW-LLVKDONJSA-N 1 0 333.385 1.694 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NOCC[NH+](C)C)c1 ZINC000846232230 595180806 /nfs/dbraw/zinc/18/08/06/595180806.db2.gz NXYPPADJIYIALS-UHFFFAOYSA-N 1 0 347.375 1.371 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 ZINC000843792771 595187851 /nfs/dbraw/zinc/18/78/51/595187851.db2.gz WEJHBOZMLMEAMR-UHFFFAOYSA-N 1 0 336.348 1.979 20 5 EDBDRO Cc1ccccc1[C@@H](O)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000843072939 595281348 /nfs/dbraw/zinc/28/13/48/595281348.db2.gz FILDBTXZRWUTIG-YJBOKZPZSA-N 1 0 346.383 1.966 20 5 EDBDRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843103478 595287587 /nfs/dbraw/zinc/28/75/87/595287587.db2.gz ADQFFYRBKIMZBH-AEGPPILISA-N 1 0 326.393 1.376 20 5 EDBDRO O=[N+]([O-])c1ccc2cnn(Cc3nc(C4CC[NH2+]CC4)no3)c2c1 ZINC000843137877 595294409 /nfs/dbraw/zinc/29/44/09/595294409.db2.gz HLEPMDXZNXGMLR-UHFFFAOYSA-N 1 0 328.332 1.843 20 5 EDBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000848351725 595366675 /nfs/dbraw/zinc/36/66/75/595366675.db2.gz GKAHDDDVBCIQAD-PMPSAXMXSA-N 1 0 333.388 1.761 20 5 EDBDRO C[N@H+](C[C@H]1CCOC1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848479762 595390186 /nfs/dbraw/zinc/39/01/86/595390186.db2.gz BDHFKESULBHPCZ-CJNGLKHVSA-N 1 0 333.388 1.837 20 5 EDBDRO C[C@H](CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000850595924 595544457 /nfs/dbraw/zinc/54/44/57/595544457.db2.gz IHKSAHFRKVLQMZ-SECBINFHSA-N 1 0 342.783 1.643 20 5 EDBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857763342 595599282 /nfs/dbraw/zinc/59/92/82/595599282.db2.gz YFJLKJHGOGWIAB-GFCCVEGCSA-N 1 0 341.314 1.825 20 5 EDBDRO O=C(N1CC[C@@H]2[NH2+]CC[C@H]2C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766056 595600625 /nfs/dbraw/zinc/60/06/25/595600625.db2.gz YHHBFEGIEFJLCO-GWCFXTLKSA-N 1 0 341.314 1.777 20 5 EDBDRO C[C@@H]1CN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000857765941 595600820 /nfs/dbraw/zinc/60/08/20/595600820.db2.gz VIFGVLYTLTUENF-BXKDBHETSA-N 1 0 329.303 1.762 20 5 EDBDRO C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000857930020 595656743 /nfs/dbraw/zinc/65/67/43/595656743.db2.gz NROFIMNFESGGIQ-AWEZNQCLSA-N 1 0 343.387 1.701 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(C)C)cc([N+](=O)[O-])c1F ZINC000858616941 595846043 /nfs/dbraw/zinc/84/60/43/595846043.db2.gz WGWWCRJQOVYYPZ-ZDUSSCGKSA-N 1 0 345.396 1.661 20 5 EDBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000853966988 595936378 /nfs/dbraw/zinc/93/63/78/595936378.db2.gz ZOUURESTQVUNHE-HNNXBMFYSA-N 1 0 333.388 1.833 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(C[C@H]2[NH2+]Cc3ccccc32)n1 ZINC000854153037 595991874 /nfs/dbraw/zinc/99/18/74/595991874.db2.gz CSWVETCKDCBQFW-LLVKDONJSA-N 1 0 326.316 1.765 20 5 EDBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1F ZINC000854412496 596069797 /nfs/dbraw/zinc/06/97/97/596069797.db2.gz IWQJJDCKPQXFIV-NSHDSACASA-N 1 0 325.340 1.311 20 5 EDBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c([N+](=O)[O-])c1 ZINC000852315287 596122650 /nfs/dbraw/zinc/12/26/50/596122650.db2.gz XUJGBEYEXZRGKW-NSHDSACASA-N 1 0 332.320 1.617 20 5 EDBDRO [NH3+][C@@]12CCC[C@H]1CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000857086030 596154321 /nfs/dbraw/zinc/15/43/21/596154321.db2.gz ILLMRBKGZHFUTD-ZUZCIYMTSA-N 1 0 338.795 2.000 20 5 EDBDRO Cc1c([C@@H](C)[NH2+]C[C@]23COC(=O)N2CCOC3)cccc1[N+](=O)[O-] ZINC000866523552 596240831 /nfs/dbraw/zinc/24/08/31/596240831.db2.gz FGUNOVNBORRFOT-WBMJQRKESA-N 1 0 335.360 1.775 20 5 EDBDRO Cc1c([C@H](C)[NH2+]C[C@@]23COC(=O)N2CCOC3)cccc1[N+](=O)[O-] ZINC000866523549 596241176 /nfs/dbraw/zinc/24/11/76/596241176.db2.gz FGUNOVNBORRFOT-BLLLJJGKSA-N 1 0 335.360 1.775 20 5 EDBDRO Cc1ccc(CNC(=O)NCC[N@@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000868647264 596258971 /nfs/dbraw/zinc/25/89/71/596258971.db2.gz GANVQIYCXNSKOX-UHFFFAOYSA-N 1 0 336.392 1.425 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[NH2+]CCC2(C)C)cc1[N+](=O)[O-] ZINC000866802684 596354585 /nfs/dbraw/zinc/35/45/85/596354585.db2.gz IVZKNVQXODTUJV-UHFFFAOYSA-N 1 0 341.433 1.920 20 5 EDBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC000866823927 596366386 /nfs/dbraw/zinc/36/63/86/596366386.db2.gz JVPYIKNTNGKJKW-LSDHHAIUSA-N 1 0 339.417 1.293 20 5 EDBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000862791045 596412970 /nfs/dbraw/zinc/41/29/70/596412970.db2.gz BNLMIMIFWBJPFK-AWEZNQCLSA-N 1 0 349.387 1.634 20 5 EDBDRO CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000119462029 596586217 /nfs/dbraw/zinc/58/62/17/596586217.db2.gz FYEICUAKDAEPGD-UHFFFAOYSA-N 1 0 336.392 1.065 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)NCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000123684150 596644361 /nfs/dbraw/zinc/64/43/61/596644361.db2.gz VFFKRUXYEUZOCM-UHFFFAOYSA-N 1 0 333.797 1.587 20 5 EDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C2 ZINC000871673288 596666751 /nfs/dbraw/zinc/66/67/51/596666751.db2.gz FTHHLNZKMLGMIX-IINYFYTJSA-N 1 0 341.314 1.634 20 5 EDBDRO C[C@]12C[NH2+]C[C@H]1CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000872148289 596812213 /nfs/dbraw/zinc/81/22/13/596812213.db2.gz AUJRKZBDLYXXJS-ZUZCIYMTSA-N 1 0 338.795 1.728 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CC3(CO2)CCOCC3)cc1 ZINC000872232413 596846789 /nfs/dbraw/zinc/84/67/89/596846789.db2.gz YWMRXLBEPNIFQM-CVEARBPZSA-N 1 0 336.388 1.804 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000872664679 597019791 /nfs/dbraw/zinc/01/97/91/597019791.db2.gz NVSZEAOGAJGWPS-HUUCEWRRSA-N 1 0 339.417 1.593 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC[C@H]21 ZINC000872725587 597047407 /nfs/dbraw/zinc/04/74/07/597047407.db2.gz UTIHBHDDMLEOIW-WCQYABFASA-N 1 0 344.371 1.174 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)CC[C@@H]21 ZINC000872725947 597047930 /nfs/dbraw/zinc/04/79/30/597047930.db2.gz KGELCFVRFLODKV-GJZGRUSLSA-N 1 0 342.403 1.837 20 5 EDBDRO Cc1nn(C[NH+]2CCC3(CCNC3=O)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000872789310 597069553 /nfs/dbraw/zinc/06/95/53/597069553.db2.gz ORGCVUCTEUJRQK-UHFFFAOYSA-N 1 0 343.387 1.813 20 5 EDBDRO Cc1c(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)cccc1[N+](=O)[O-] ZINC000873141862 597209158 /nfs/dbraw/zinc/20/91/58/597209158.db2.gz LLZUJHXWAVBGGD-SFHVURJKSA-N 1 0 349.431 1.609 20 5 EDBDRO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000876551840 597237544 /nfs/dbraw/zinc/23/75/44/597237544.db2.gz YPUAZWCYGPFDLP-HUUCEWRRSA-N 1 0 332.404 1.617 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC000877019037 597413388 /nfs/dbraw/zinc/41/33/88/597413388.db2.gz FGKPJXGADMTSBZ-UHFFFAOYSA-N 1 0 328.390 1.518 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H](CO)Cc3ccc(F)cc3)C2)c1 ZINC000877117757 597437258 /nfs/dbraw/zinc/43/72/58/597437258.db2.gz UIBHMECYMLHNMX-SHARSMKWSA-N 1 0 334.351 1.827 20 5 EDBDRO COCCC1(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC[NH2+]CC1 ZINC000877266859 597483637 /nfs/dbraw/zinc/48/36/37/597483637.db2.gz LGRNNGNMYBBJLT-UHFFFAOYSA-N 1 0 325.340 1.622 20 5 EDBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877281258 597485838 /nfs/dbraw/zinc/48/58/38/597485838.db2.gz GQCOGLDVYUXMHA-TZMCWYRMSA-N 1 0 341.371 1.747 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000877668592 597546394 /nfs/dbraw/zinc/54/63/94/597546394.db2.gz RYNGRLXPMMBMGW-IRXDYDNUSA-N 1 0 331.372 1.696 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000879580270 597642205 /nfs/dbraw/zinc/64/22/05/597642205.db2.gz GNANREPEAALKPB-QLFBSQMISA-N 1 0 335.404 1.361 20 5 EDBDRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000879998457 597804172 /nfs/dbraw/zinc/80/41/72/597804172.db2.gz SDLQRCUKINDYDC-SNVBAGLBSA-N 1 0 327.768 1.435 20 5 EDBDRO CNC(=O)NC[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000879334809 597889796 /nfs/dbraw/zinc/88/97/96/597889796.db2.gz NGFQJSHRWTVBMZ-CQSZACIVSA-N 1 0 336.392 1.757 20 5 EDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000883893606 597933206 /nfs/dbraw/zinc/93/32/06/597933206.db2.gz OCJCKIAABCSEOT-INIZCTEOSA-N 1 0 347.419 1.521 20 5 EDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000882483460 597972324 /nfs/dbraw/zinc/97/23/24/597972324.db2.gz ATLKASGNTJUFDG-CQSZACIVSA-N 1 0 329.360 1.605 20 5 EDBDRO CC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCN(C(=O)CC(N)=O)CC1 ZINC000940014635 700116015 /nfs/dbraw/zinc/11/60/15/700116015.db2.gz MLVOZZXFMGTUHG-UHFFFAOYSA-N 1 0 340.405 1.002 20 5 EDBDRO CC1CC[NH+](CCNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000917514835 697032604 /nfs/dbraw/zinc/03/26/04/697032604.db2.gz LOSKMFCHHOHFOH-UHFFFAOYSA-N 1 0 345.403 1.793 20 5 EDBDRO C[NH+]1C[C@@]2(C)CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000918351904 697156523 /nfs/dbraw/zinc/15/65/23/697156523.db2.gz PCUVQUICQQDVMJ-GJZGRUSLSA-N 1 0 339.417 1.557 20 5 EDBDRO O=C1C[C@H](CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CN1 ZINC000922783127 704336400 /nfs/dbraw/zinc/33/64/00/704336400.db2.gz ZUNYODLAXDCGAW-VIFPVBQESA-N 1 0 329.303 1.812 20 5 EDBDRO COc1ccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001005379761 708842210 /nfs/dbraw/zinc/84/22/10/708842210.db2.gz VOXWCAIZZYFCBL-IAGOWNOFSA-N 1 0 347.415 1.783 20 5 EDBDRO O=C(NC1CC[NH+](CCC2CCOCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002789248 709383753 /nfs/dbraw/zinc/38/37/53/709383753.db2.gz SVAYGDWUXINYJE-HUUCEWRRSA-N 1 0 325.409 1.049 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CC[C@H](NC(=O)c2cocn2)CC1 ZINC001034605192 710268250 /nfs/dbraw/zinc/26/82/50/710268250.db2.gz FBZMCZFOZBWKLP-XYPYZODXSA-N 1 0 348.363 1.147 20 5 EDBDRO O=C(N[C@H]1CC[C@H]([NH2+]CCc2cccs2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034645814 710322176 /nfs/dbraw/zinc/32/21/76/710322176.db2.gz WPQTWZROLIQYSN-QHSBEEBCSA-N 1 0 337.445 1.973 20 5 EDBDRO Cc1nn(C)c(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000371348761 282272487 /nfs/dbraw/zinc/27/24/87/282272487.db2.gz CTOFWEIJWFCMFS-JSGCOSHPSA-N 1 0 336.440 1.099 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000178940077 290701499 /nfs/dbraw/zinc/70/14/99/290701499.db2.gz CWMFQNPVOTWXIZ-VIFPVBQESA-N 1 0 333.797 1.478 20 5 EDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCC[C@@H]1O ZINC000181473849 529961144 /nfs/dbraw/zinc/96/11/44/529961144.db2.gz GCIJHZHTEMIRNX-QRTARXTBSA-N 1 0 338.404 1.817 20 5 EDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000066140540 215015906 /nfs/dbraw/zinc/01/59/06/215015906.db2.gz PNNJJXRSSHZYLF-GFCCVEGCSA-N 1 0 339.392 1.829 20 5 EDBDRO Cc1nn(CCC(=O)NC2CC[NH+](C3CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000102325818 219194353 /nfs/dbraw/zinc/19/43/53/219194353.db2.gz SIZHPMZLSAYDFC-UHFFFAOYSA-N 1 0 335.408 1.541 20 5 EDBDRO CC1(C)CC[N@H+](CC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000561155476 306283002 /nfs/dbraw/zinc/28/30/02/306283002.db2.gz KYQQPIPKDBGOEY-UHFFFAOYSA-N 1 0 346.431 1.975 20 5 EDBDRO CN(CC[NH+]1CCCC1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000103117664 219257910 /nfs/dbraw/zinc/25/79/10/219257910.db2.gz RXJWPPWUWKAIAV-UHFFFAOYSA-N 1 0 343.387 1.948 20 5 EDBDRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000104515267 219392352 /nfs/dbraw/zinc/39/23/52/219392352.db2.gz SPWCUIRLMSAZIA-UHFFFAOYSA-N 1 0 342.355 1.961 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000181688677 234286773 /nfs/dbraw/zinc/28/67/73/234286773.db2.gz WOSWMSGNBGDSBF-CVEARBPZSA-N 1 0 349.431 1.895 20 5 EDBDRO CO[C@@](C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000562998468 306315146 /nfs/dbraw/zinc/31/51/46/306315146.db2.gz JFHMGWHWOXNVSD-CVEARBPZSA-N 1 0 334.376 1.304 20 5 EDBDRO CC[C@H]([NH3+])CNC(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-] ZINC000563161387 306321172 /nfs/dbraw/zinc/32/11/72/306321172.db2.gz VHSLXEUDKDNFDI-JTQLQIEISA-N 1 0 341.364 1.096 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000183459894 235089668 /nfs/dbraw/zinc/08/96/68/235089668.db2.gz BHRPMNSOYPEYHW-UHFFFAOYSA-N 1 0 348.403 1.186 20 5 EDBDRO NC(=O)[C@@]1(NCc2ccc(Br)cc2[N+](=O)[O-])CCOC1 ZINC000563357356 306329759 /nfs/dbraw/zinc/32/97/59/306329759.db2.gz JFFKXZBRVDLLGY-GFCCVEGCSA-N 1 0 344.165 1.091 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000043271891 138110284 /nfs/dbraw/zinc/11/02/84/138110284.db2.gz QJUNEWRYHXBEQJ-UHFFFAOYSA-N 1 0 343.387 1.572 20 5 EDBDRO Cc1c(NC(=O)C(=O)NCCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000077815701 138255169 /nfs/dbraw/zinc/25/51/69/138255169.db2.gz JXOCJZXNDGEQEY-UHFFFAOYSA-N 1 0 348.403 1.834 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000090553945 138279536 /nfs/dbraw/zinc/27/95/36/138279536.db2.gz RCQINCUOVKSFKA-OAHLLOKOSA-N 1 0 328.372 1.943 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000107620114 138304354 /nfs/dbraw/zinc/30/43/54/138304354.db2.gz LAFRMNYHWBOVFK-AWEZNQCLSA-N 1 0 335.408 1.658 20 5 EDBDRO C[NH+](C)C[C@@](C)(O)CNc1ncc([N+](=O)[O-])cc1Br ZINC000132924157 138385150 /nfs/dbraw/zinc/38/51/50/138385150.db2.gz MEHNZCMTKQBCLQ-NSHDSACASA-N 1 0 333.186 1.477 20 5 EDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000186945569 236073831 /nfs/dbraw/zinc/07/38/31/236073831.db2.gz FFCHTCSTRCWTFH-LLVKDONJSA-N 1 0 336.392 1.094 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000131133554 223208233 /nfs/dbraw/zinc/20/82/33/223208233.db2.gz WOKRBMJPPSCNHK-TZMCWYRMSA-N 1 0 334.376 1.475 20 5 EDBDRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000072875631 216322297 /nfs/dbraw/zinc/32/22/97/216322297.db2.gz SZWHWWNZXCAIQT-CQSZACIVSA-N 1 0 332.404 1.728 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C1 ZINC000565711841 306389392 /nfs/dbraw/zinc/38/93/92/306389392.db2.gz ILWIJIHYLQDWSY-GXFFZTMASA-N 1 0 333.344 1.490 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000567147078 306439540 /nfs/dbraw/zinc/43/95/40/306439540.db2.gz MNNGSYIJQNHSNQ-IUODEOHRSA-N 1 0 336.392 1.885 20 5 EDBDRO [NH3+]Cc1cn([C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3F)C2)nn1 ZINC000415139560 304163656 /nfs/dbraw/zinc/16/36/56/304163656.db2.gz ZXBJDTFHEAWSKO-AWEZNQCLSA-N 1 0 334.355 1.621 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000195246396 139011397 /nfs/dbraw/zinc/01/13/97/139011397.db2.gz YRYKFBBJZXFNDJ-PHIMTYICSA-N 1 0 335.360 1.294 20 5 EDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236687603 139028841 /nfs/dbraw/zinc/02/88/41/139028841.db2.gz XAPFEJJVYCQTLX-INIZCTEOSA-N 1 0 331.376 1.884 20 5 EDBDRO Cc1sc(C(=O)N(C)CCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000110866508 220072990 /nfs/dbraw/zinc/07/29/90/220072990.db2.gz VBHZPBRZDSTPPO-UHFFFAOYSA-N 1 0 340.449 1.674 20 5 EDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[NH2+]CC1 ZINC000237477180 139052075 /nfs/dbraw/zinc/05/20/75/139052075.db2.gz XATQWYNLIOFORX-SNVBAGLBSA-N 1 0 327.768 1.837 20 5 EDBDRO C[C@]1(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCC[NH2+]1 ZINC000237535507 139053441 /nfs/dbraw/zinc/05/34/41/139053441.db2.gz HUVGVNWYUJTMKU-MLGOLLRUSA-N 1 0 333.392 1.535 20 5 EDBDRO C[C@@]1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC[NH2+]C1 ZINC000237562681 139054031 /nfs/dbraw/zinc/05/40/31/139054031.db2.gz HDGQPMAPXXIKHU-QGZVFWFLSA-N 1 0 332.404 1.633 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1([NH3+])CCCCC1 ZINC000237667964 139057587 /nfs/dbraw/zinc/05/75/87/139057587.db2.gz DEWKWVHQCPANNT-UHFFFAOYSA-N 1 0 327.406 1.843 20 5 EDBDRO [NH3+]CCCOC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000237828761 139061402 /nfs/dbraw/zinc/06/14/02/139061402.db2.gz GXPHAFSBDVPANM-UHFFFAOYSA-N 1 0 343.405 1.113 20 5 EDBDRO O=C(C[NH2+]C[C@H]1CCCO1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237924357 139063896 /nfs/dbraw/zinc/06/38/96/139063896.db2.gz XYOOTOZJTRPJHS-CQSZACIVSA-N 1 0 348.403 1.012 20 5 EDBDRO [NH3+]CCCCCCC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237977746 139065554 /nfs/dbraw/zinc/06/55/54/139065554.db2.gz FMWJPPBEAOJRTO-CYBMUJFWSA-N 1 0 335.408 1.912 20 5 EDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C1CC([NH3+])C1 ZINC000449635570 296208493 /nfs/dbraw/zinc/20/84/93/296208493.db2.gz UKGJAYKJXNSBCK-MFAVDMRSSA-N 1 0 327.768 1.964 20 5 EDBDRO C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000247072155 139134243 /nfs/dbraw/zinc/13/42/43/139134243.db2.gz WQBGAQPDRCKBMD-IIAWOOMASA-N 1 0 337.420 1.749 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000247107634 139135897 /nfs/dbraw/zinc/13/58/97/139135897.db2.gz OZAPJLOPPFMYJF-SWLSCSKDSA-N 1 0 346.387 1.476 20 5 EDBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415377846 304208485 /nfs/dbraw/zinc/20/84/85/304208485.db2.gz BOXJRITUJGPJLZ-UHFFFAOYSA-N 1 0 329.360 1.795 20 5 EDBDRO C[C@H](C[S@](C)=O)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000248489734 139166024 /nfs/dbraw/zinc/16/60/24/139166024.db2.gz NCOIETUKSPPLLL-GHIWOLQHSA-N 1 0 330.406 1.033 20 5 EDBDRO CCCN(C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[C@H]1CC[NH2+]C1 ZINC000415410858 304216341 /nfs/dbraw/zinc/21/63/41/304216341.db2.gz VZLCWZUSVOGQFL-ZDUSSCGKSA-N 1 0 348.403 1.751 20 5 EDBDRO C[C@@H]1C[NH+](CCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000253602718 139207352 /nfs/dbraw/zinc/20/73/52/139207352.db2.gz DWGANWANTTYVCW-VXGBXAGGSA-N 1 0 336.392 1.406 20 5 EDBDRO C[C@H]1CC[NH2+][C@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000261659609 139215339 /nfs/dbraw/zinc/21/53/39/139215339.db2.gz KMEYAWZZTAFCEE-BBRMVZONSA-N 1 0 332.404 1.632 20 5 EDBDRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415451011 304222018 /nfs/dbraw/zinc/22/20/18/304222018.db2.gz XAZMKUGEUNXBHJ-QMMMGPOBSA-N 1 0 336.270 1.397 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261727495 139221023 /nfs/dbraw/zinc/22/10/23/139221023.db2.gz HLQSYOAMWXOVKL-TXEJJXNPSA-N 1 0 337.351 1.571 20 5 EDBDRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000261785014 139225776 /nfs/dbraw/zinc/22/57/76/139225776.db2.gz HTZZJZNRZIFCPB-GFCCVEGCSA-N 1 0 346.309 1.161 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)c1 ZINC000261803489 139227280 /nfs/dbraw/zinc/22/72/80/139227280.db2.gz AJBNBUPNSIPFNP-UHFFFAOYSA-N 1 0 341.371 1.960 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261820098 139228785 /nfs/dbraw/zinc/22/87/85/139228785.db2.gz XUTYGEPFVHUYCO-UHFFFAOYSA-N 1 0 346.318 1.180 20 5 EDBDRO COc1cc(CN2C[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000261926705 139237667 /nfs/dbraw/zinc/23/76/67/139237667.db2.gz CHWVOBNSTKLRLB-WPRPVWTQSA-N 1 0 331.319 1.984 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 ZINC000261975049 139241076 /nfs/dbraw/zinc/24/10/76/139241076.db2.gz ZMFMDFBZUXUWMX-GHMZBOCLSA-N 1 0 342.421 1.019 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1C ZINC000261987663 139241976 /nfs/dbraw/zinc/24/19/76/139241976.db2.gz BBWPKXIMHARFST-ZDUSSCGKSA-N 1 0 327.406 1.569 20 5 EDBDRO C[C@@]1(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCC[NH2+]C1 ZINC000262126027 139253102 /nfs/dbraw/zinc/25/31/02/139253102.db2.gz LBIRGVONAUVVSW-CYBMUJFWSA-N 1 0 331.369 1.402 20 5 EDBDRO Cc1ccc(NCCCNC(=O)N2CC[C@@H]([NH3+])[C@H]2C)c([N+](=O)[O-])c1 ZINC000417711322 251236965 /nfs/dbraw/zinc/23/69/65/251236965.db2.gz DHBNSLPQWSWZBR-CHWSQXEVSA-N 1 0 335.408 1.836 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000415577332 304230587 /nfs/dbraw/zinc/23/05/87/304230587.db2.gz XVNDKEDIXWGIBE-UHFFFAOYSA-N 1 0 348.403 1.602 20 5 EDBDRO CC[NH2+][C@H](C)CNC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000262444991 139279492 /nfs/dbraw/zinc/27/94/92/139279492.db2.gz INKOEPPQVKRZRR-LLVKDONJSA-N 1 0 341.433 1.951 20 5 EDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000262579160 139287952 /nfs/dbraw/zinc/28/79/52/139287952.db2.gz LHAVFGYAQFAFCR-LBPRGKRZSA-N 1 0 329.360 1.510 20 5 EDBDRO CCOc1cc(C(=O)NCC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000262563132 139286898 /nfs/dbraw/zinc/28/68/98/139286898.db2.gz ATFAKMZSCZHGMS-LLVKDONJSA-N 1 0 337.376 1.732 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000415585099 304232893 /nfs/dbraw/zinc/23/28/93/304232893.db2.gz UKNNEZQXAKJMGN-YUTCNCBUSA-N 1 0 346.387 1.428 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000262755868 139301453 /nfs/dbraw/zinc/30/14/53/139301453.db2.gz OWXAGYKCGRJOKH-TYNCELHUSA-N 1 0 348.403 1.441 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000262770297 139302330 /nfs/dbraw/zinc/30/23/30/139302330.db2.gz MCTFINLCJRPNJQ-DTWKUNHWSA-N 1 0 347.368 1.161 20 5 EDBDRO Cc1c(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000262834911 139306893 /nfs/dbraw/zinc/30/68/93/139306893.db2.gz QRZKLEZLAXDYJB-IINYFYTJSA-N 1 0 344.375 1.212 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CCC([C@H](C)[NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000422787463 251976920 /nfs/dbraw/zinc/97/69/20/251976920.db2.gz MCUHAJHUDYPBCF-JTQLQIEISA-N 1 0 335.360 1.581 20 5 EDBDRO C[C@@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C[NH3+] ZINC000424024149 252117918 /nfs/dbraw/zinc/11/79/18/252117918.db2.gz WAISMDNSJKFUEG-CHWSQXEVSA-N 1 0 343.387 1.837 20 5 EDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415629802 304242713 /nfs/dbraw/zinc/24/27/13/304242713.db2.gz JCCGMSCBRQMIML-CYBMUJFWSA-N 1 0 337.355 1.245 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000415667182 304252459 /nfs/dbraw/zinc/25/24/59/304252459.db2.gz XRANDTJXGXTYAI-PWSUYJOCSA-N 1 0 334.376 1.352 20 5 EDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415680771 304255208 /nfs/dbraw/zinc/25/52/08/304255208.db2.gz SBUGHOWUZQRQHH-JTQLQIEISA-N 1 0 338.339 1.260 20 5 EDBDRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415780531 304269233 /nfs/dbraw/zinc/26/92/33/304269233.db2.gz IOPLAUROAHVRAN-JTQLQIEISA-N 1 0 336.392 1.684 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)cc([N+](=O)[O-])c1F ZINC000154235601 224223604 /nfs/dbraw/zinc/22/36/04/224223604.db2.gz PJRGMZBJNFMIFF-UHFFFAOYSA-N 1 0 347.412 1.908 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000493350476 255205987 /nfs/dbraw/zinc/20/59/87/255205987.db2.gz JHLDYSGPYHNBGX-XVWMLYKFSA-N 1 0 345.399 1.822 20 5 EDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000493216954 255197451 /nfs/dbraw/zinc/19/74/51/255197451.db2.gz IVTTVSVRKOAZRD-AJHXJQRKSA-N 1 0 333.388 1.571 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000494682197 255257865 /nfs/dbraw/zinc/25/78/65/255257865.db2.gz OWKKXDYQRMULBP-CQSZACIVSA-N 1 0 333.344 1.350 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000183431437 533223306 /nfs/dbraw/zinc/22/33/06/533223306.db2.gz OPTSXDCFNNWEJR-UHFFFAOYSA-N 1 0 330.344 1.994 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1C ZINC000261730800 291992036 /nfs/dbraw/zinc/99/20/36/291992036.db2.gz MWHDTALESCKMML-QMTHXVAHSA-N 1 0 341.433 1.960 20 5 EDBDRO Cc1c(CC(=O)N2CCC([N@H+](C)CCCO)CC2)cccc1[N+](=O)[O-] ZINC000270380688 140089498 /nfs/dbraw/zinc/08/94/98/140089498.db2.gz OZGUDOYXYZSXOT-UHFFFAOYSA-N 1 0 349.431 1.751 20 5 EDBDRO COc1cc(OCC(=O)N2CC[N@H+](C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000270902159 140194596 /nfs/dbraw/zinc/19/45/96/140194596.db2.gz JTGJKSXBSKZVFO-UHFFFAOYSA-N 1 0 337.376 1.535 20 5 EDBDRO C[C@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000271358498 140284444 /nfs/dbraw/zinc/28/44/44/140284444.db2.gz IHPINDLLXSZBAW-WPRPVWTQSA-N 1 0 333.435 1.446 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NCC2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000271808170 140354217 /nfs/dbraw/zinc/35/42/17/140354217.db2.gz BOIYRBWWCCWINV-UHFFFAOYSA-N 1 0 332.360 1.220 20 5 EDBDRO COc1ccc(CNC(=O)NCC2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272070363 140395911 /nfs/dbraw/zinc/39/59/11/140395911.db2.gz JJKRTARHTHPDNH-UHFFFAOYSA-N 1 0 334.376 1.665 20 5 EDBDRO COc1c(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000331047692 140975182 /nfs/dbraw/zinc/97/51/82/140975182.db2.gz HALURTCQVBDNNP-QWHCGFSZSA-N 1 0 339.417 1.721 20 5 EDBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000331753663 141076861 /nfs/dbraw/zinc/07/68/61/141076861.db2.gz LEOUMCRQKDYAQM-MCIONIFRSA-N 1 0 335.408 1.655 20 5 EDBDRO CO[C@H]1C[C@@H](CN(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[N@H+](C)C1 ZINC000345133250 143055214 /nfs/dbraw/zinc/05/52/14/143055214.db2.gz OVEFVCWXDJSMQE-STQMWFEESA-N 1 0 333.392 1.622 20 5 EDBDRO Cc1noc([C@@H]2CC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000346242479 143182786 /nfs/dbraw/zinc/18/27/86/143182786.db2.gz OGXNFYYJOAWMHA-OCCSQVGLSA-N 1 0 348.359 1.515 20 5 EDBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000346260171 143184532 /nfs/dbraw/zinc/18/45/32/143184532.db2.gz RVQHCRNHMZFAOL-UHFFFAOYSA-N 1 0 338.412 1.301 20 5 EDBDRO C[N@@H+]1CC[C@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000416494637 304324332 /nfs/dbraw/zinc/32/43/32/304324332.db2.gz JAALKFIRCBHEIB-GFCCVEGCSA-N 1 0 327.406 1.008 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C(N)=O)[C@H](C)C1 ZINC000346660573 143227944 /nfs/dbraw/zinc/22/79/44/143227944.db2.gz MJWVSZISWTXFPN-YPMHNXCESA-N 1 0 334.376 1.285 20 5 EDBDRO CC(C)c1ccc(CN(C)CC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000347037007 143274646 /nfs/dbraw/zinc/27/46/46/143274646.db2.gz FLFQYWQEWRJFHL-UHFFFAOYSA-N 1 0 334.420 1.582 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)n1 ZINC000347331605 143309631 /nfs/dbraw/zinc/30/96/31/143309631.db2.gz GVRSLIFJYKQZRL-IINYFYTJSA-N 1 0 334.336 1.304 20 5 EDBDRO COC(=O)COc1ccc(CN2CC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000349011019 143473494 /nfs/dbraw/zinc/47/34/94/143473494.db2.gz RFEURGIIWWTBPC-ZDUSSCGKSA-N 1 0 337.376 1.283 20 5 EDBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000350735191 143551031 /nfs/dbraw/zinc/55/10/31/143551031.db2.gz DQDYGGFLBQUNMX-SNVBAGLBSA-N 1 0 330.410 1.384 20 5 EDBDRO C[N@H+](CCO)C1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)CC1 ZINC000351487017 143571207 /nfs/dbraw/zinc/57/12/07/143571207.db2.gz GAHLPSTYPYULCR-UHFFFAOYSA-N 1 0 346.387 1.605 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000340573920 149054814 /nfs/dbraw/zinc/05/48/14/149054814.db2.gz PLAAGIDISPCQGN-KGLIPLIRSA-N 1 0 331.376 1.376 20 5 EDBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000352664773 149107369 /nfs/dbraw/zinc/10/73/69/149107369.db2.gz CPSRXOOWJXSZQT-DZGCQCFKSA-N 1 0 337.376 1.777 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]CCc2cnccn2)cc1[N+](=O)[O-] ZINC000353194790 149319675 /nfs/dbraw/zinc/31/96/75/149319675.db2.gz SWMFDCLCPZOCHB-UHFFFAOYSA-N 1 0 346.343 1.269 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H](C)SC)cc1[N+](=O)[O-] ZINC000353212494 149326398 /nfs/dbraw/zinc/32/63/98/149326398.db2.gz XQMGVPCCNYIOJJ-SNVBAGLBSA-N 1 0 328.390 1.988 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H]2C[NH+](C)C[C@H]2C1 ZINC000354365632 149776543 /nfs/dbraw/zinc/77/65/43/149776543.db2.gz KPQDFMYMMLZQBV-STQMWFEESA-N 1 0 346.387 1.116 20 5 EDBDRO CC(C)(C)C1=CC[N@H+](CCNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000354876496 150007295 /nfs/dbraw/zinc/00/72/95/150007295.db2.gz DMNIDGRRXWPKEC-UHFFFAOYSA-N 1 0 335.408 1.586 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)[C@@H]2C1 ZINC000355358562 150232170 /nfs/dbraw/zinc/23/21/70/150232170.db2.gz BMKIWUSWPKVFEG-CVEARBPZSA-N 1 0 333.388 1.838 20 5 EDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000355439167 150267860 /nfs/dbraw/zinc/26/78/60/150267860.db2.gz FIYIXMXQCSEWSU-CYBMUJFWSA-N 1 0 339.417 1.983 20 5 EDBDRO O=C(NC1CCCCC1)[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000370028615 155288888 /nfs/dbraw/zinc/28/88/88/155288888.db2.gz QRKFYAAVGVGFNV-CQSZACIVSA-N 1 0 349.435 1.952 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000357415646 151024820 /nfs/dbraw/zinc/02/48/20/151024820.db2.gz NPYPSTMFBJIKJV-CMPLNLGQSA-N 1 0 337.376 1.825 20 5 EDBDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000357661378 151106867 /nfs/dbraw/zinc/10/68/67/151106867.db2.gz FVHOGNHPZYJUFH-SECBINFHSA-N 1 0 335.813 1.867 20 5 EDBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000357839400 151168539 /nfs/dbraw/zinc/16/85/39/151168539.db2.gz YAQIWGHMLBJFEA-JSGCOSHPSA-N 1 0 343.387 1.579 20 5 EDBDRO COC[C@](C)([NH3+])CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000357903177 151189641 /nfs/dbraw/zinc/18/96/41/151189641.db2.gz AZJQVHZETXGVNT-MRXNPFEDSA-N 1 0 347.375 1.335 20 5 EDBDRO C[N@@H+]1CC[C@](O)(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000358128752 151282023 /nfs/dbraw/zinc/28/20/23/151282023.db2.gz COXIZBOBWIXQCI-INIZCTEOSA-N 1 0 348.428 1.875 20 5 EDBDRO CC1=CC[N@H+](CCNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000358195406 151300869 /nfs/dbraw/zinc/30/08/69/151300869.db2.gz MIAKMANTBLODEG-UHFFFAOYSA-N 1 0 347.419 1.958 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000360619426 152126138 /nfs/dbraw/zinc/12/61/38/152126138.db2.gz ZDJLOCWZEYHOGV-CHWSQXEVSA-N 1 0 348.403 1.184 20 5 EDBDRO O=C(N[C@H]1C[C@H]1C1CC[NH2+]CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000361102625 152305815 /nfs/dbraw/zinc/30/58/15/152305815.db2.gz ABQSJCQBVLINDO-FZMZJTMJSA-N 1 0 329.360 1.589 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363738065 153043187 /nfs/dbraw/zinc/04/31/87/153043187.db2.gz YBYDDVJCIQOHPL-CYBMUJFWSA-N 1 0 334.376 1.281 20 5 EDBDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000363919227 153096715 /nfs/dbraw/zinc/09/67/15/153096715.db2.gz JAJVMDAHLITEOP-OAHLLOKOSA-N 1 0 346.431 1.835 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000364032048 153127324 /nfs/dbraw/zinc/12/73/24/153127324.db2.gz HJIWRTVFPUHLRK-KBPBESRZSA-N 1 0 335.408 1.575 20 5 EDBDRO CCN1C(=O)[C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000364042735 153130928 /nfs/dbraw/zinc/13/09/28/153130928.db2.gz RDXMBKVAIBAMIE-CQSZACIVSA-N 1 0 332.360 1.106 20 5 EDBDRO C[C@@H]([NH3+])CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000364118726 153149735 /nfs/dbraw/zinc/14/97/35/153149735.db2.gz GYRVDBFZHSHFFV-ISTRZQFTSA-N 1 0 346.431 1.980 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@]12CCN(S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C2 ZINC000364260962 153189820 /nfs/dbraw/zinc/18/98/20/153189820.db2.gz SEKAHTHULRDVJU-CABCVRRESA-N 1 0 339.417 1.628 20 5 EDBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCc2cccnc21 ZINC000365003485 153395727 /nfs/dbraw/zinc/39/57/27/153395727.db2.gz QUENTSZQTWXJEJ-CVEARBPZSA-N 1 0 345.403 1.947 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000574432256 306650807 /nfs/dbraw/zinc/65/08/07/306650807.db2.gz LQMHAZMRLCHQTK-LSDHHAIUSA-N 1 0 344.367 1.928 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000367385667 154100314 /nfs/dbraw/zinc/10/03/14/154100314.db2.gz ZGRSXURKIDUBCK-UHFFFAOYSA-N 1 0 330.348 1.169 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)n1 ZINC000367402808 154106807 /nfs/dbraw/zinc/10/68/07/154106807.db2.gz LSKUJOPPZRUUNK-WFASDCNBSA-N 1 0 329.360 1.504 20 5 EDBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000368213361 154460955 /nfs/dbraw/zinc/46/09/55/154460955.db2.gz KPLZSLQVPJDXAG-CQSZACIVSA-N 1 0 342.359 1.047 20 5 EDBDRO C[N@@H+]1CCCC12CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000369384601 155007210 /nfs/dbraw/zinc/00/72/10/155007210.db2.gz SNUGLYUWDQVMIT-MRXNPFEDSA-N 1 0 349.431 1.895 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000371689228 156063668 /nfs/dbraw/zinc/06/36/68/156063668.db2.gz NQVCJHSLUGHKOO-BZUAXINKSA-N 1 0 349.431 1.893 20 5 EDBDRO O=C(CC[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000374172593 157176957 /nfs/dbraw/zinc/17/69/57/157176957.db2.gz NXYFTDLHMGGPHN-RISCZKNCSA-N 1 0 348.359 1.354 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H](CO)c1ccsc1 ZINC000352032101 161926753 /nfs/dbraw/zinc/92/67/53/161926753.db2.gz JIQBPNUXIWUTQG-STQMWFEESA-N 1 0 338.385 1.719 20 5 EDBDRO COc1cc(CN2CCC([N@H+](C)C[C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000352404024 162166403 /nfs/dbraw/zinc/16/64/03/162166403.db2.gz BBLFSGFDTJPXDS-CYBMUJFWSA-N 1 0 337.420 1.880 20 5 EDBDRO COc1ccc(NC(=O)CC[N@H+](CCO)CC2CC2)c([N+](=O)[O-])c1 ZINC000352464375 162195953 /nfs/dbraw/zinc/19/59/53/162195953.db2.gz SICLOXBAIZZJRS-UHFFFAOYSA-N 1 0 337.376 1.636 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000360667711 162296765 /nfs/dbraw/zinc/29/67/65/162296765.db2.gz ZLBGYRJRYXETHN-NWDGAFQWSA-N 1 0 327.406 1.664 20 5 EDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418081768 304455716 /nfs/dbraw/zinc/45/57/16/304455716.db2.gz HEFVXQQEVDLDOH-LBPRGKRZSA-N 1 0 348.407 1.986 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC(C)(CO)CO ZINC000159530488 225234675 /nfs/dbraw/zinc/23/46/75/225234675.db2.gz DTEJABLHQOLBMI-UHFFFAOYSA-N 1 0 339.392 1.155 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2cncs2)c1 ZINC000135972564 287576905 /nfs/dbraw/zinc/57/69/05/287576905.db2.gz IAIGYWMBPFTSBK-UHFFFAOYSA-N 1 0 342.402 1.119 20 5 EDBDRO Cc1nn(C)c(C(=O)NCc2ccccc2C[NH+](C)C)c1[N+](=O)[O-] ZINC000193916656 273000099 /nfs/dbraw/zinc/00/00/99/273000099.db2.gz DTPBZMKECMSIQD-UHFFFAOYSA-N 1 0 331.376 1.628 20 5 EDBDRO [NH3+]C[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000194776568 273006133 /nfs/dbraw/zinc/00/61/33/273006133.db2.gz OSGNONSGKYQWRK-CQSZACIVSA-N 1 0 327.406 1.532 20 5 EDBDRO Cc1nn(Cc2ccc(C(=O)NC[C@H](C)C[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000237578370 273010870 /nfs/dbraw/zinc/01/08/70/273010870.db2.gz QAAIATSKXJEAOL-LLVKDONJSA-N 1 0 345.403 1.781 20 5 EDBDRO C[NH+](C)C1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)Cc2ccccc2C1 ZINC000265900571 273019240 /nfs/dbraw/zinc/01/92/40/273019240.db2.gz CDBZSEKTEAKUGL-UHFFFAOYSA-N 1 0 343.387 1.007 20 5 EDBDRO COCC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C)o1 ZINC000273327250 268025842 /nfs/dbraw/zinc/02/58/42/268025842.db2.gz TUVDUSVDLQAONZ-KGLIPLIRSA-N 1 0 338.364 1.421 20 5 EDBDRO O=[N+]([O-])c1cnc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)nc1 ZINC000273609842 268064427 /nfs/dbraw/zinc/06/44/27/268064427.db2.gz LQLKAOAPDBZRRP-OAHLLOKOSA-N 1 0 329.360 1.216 20 5 EDBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC1([NH+](C)C)CCC1 ZINC000275420043 268339910 /nfs/dbraw/zinc/33/99/10/268339910.db2.gz CHOMFQZJHZSZBZ-UHFFFAOYSA-N 1 0 345.396 1.805 20 5 EDBDRO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000275472107 268347611 /nfs/dbraw/zinc/34/76/11/268347611.db2.gz AOQQSSVQWZNNJE-CQSZACIVSA-N 1 0 328.376 1.738 20 5 EDBDRO COCCO[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000275500139 268352097 /nfs/dbraw/zinc/35/20/97/268352097.db2.gz GVGKZXRKBXIWAY-OAHLLOKOSA-N 1 0 338.360 1.699 20 5 EDBDRO NS(=O)(=O)c1cccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000273438864 273039776 /nfs/dbraw/zinc/03/97/76/273039776.db2.gz CJWDNFBGOQSOJH-CMPLNLGQSA-N 1 0 340.405 1.281 20 5 EDBDRO C[C@@H]1C[C@@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000273465467 273041607 /nfs/dbraw/zinc/04/16/07/273041607.db2.gz JDMNONCGNBIJPF-NXEZZACHSA-N 1 0 340.405 1.279 20 5 EDBDRO C[NH+](C)CCc1ccccc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000275633628 273115592 /nfs/dbraw/zinc/11/55/92/273115592.db2.gz KZGNNXSNFGPFJO-UHFFFAOYSA-N 1 0 331.376 1.924 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000276932164 273169865 /nfs/dbraw/zinc/16/98/65/273169865.db2.gz AGFMLPSEALZORB-LLVKDONJSA-N 1 0 345.396 1.839 20 5 EDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279079352 273278700 /nfs/dbraw/zinc/27/87/00/273278700.db2.gz UXPZBIMWVUYJCF-SECBINFHSA-N 1 0 349.778 1.978 20 5 EDBDRO COC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCO1 ZINC000279110725 273280381 /nfs/dbraw/zinc/28/03/81/273280381.db2.gz SKLMRXJBAQIKGY-HUUCEWRRSA-N 1 0 337.376 1.625 20 5 EDBDRO O=C(C[NH2+][C@H]1CCC[C@H]1CCO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000279238209 273287185 /nfs/dbraw/zinc/28/71/85/273287185.db2.gz JTQLMFZYHXRQMW-WFASDCNBSA-N 1 0 333.388 1.625 20 5 EDBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000280615659 273378117 /nfs/dbraw/zinc/37/81/17/273378117.db2.gz WFMJHCIEQWNPGM-GUYCJALGSA-N 1 0 349.387 1.803 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NC2(C[NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000281564315 273492829 /nfs/dbraw/zinc/49/28/29/273492829.db2.gz AFTLTDXTDZWOFI-UHFFFAOYSA-N 1 0 348.403 1.234 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@]1(O)CCSC1 ZINC000158197543 533689004 /nfs/dbraw/zinc/68/90/04/533689004.db2.gz CAENPKMOKSOALL-ABAIWWIYSA-N 1 0 339.417 1.770 20 5 EDBDRO C[NH2+]C1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000193273257 273958253 /nfs/dbraw/zinc/95/82/53/273958253.db2.gz ZQWMLMSHDILGNQ-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000262268622 273963830 /nfs/dbraw/zinc/96/38/30/273963830.db2.gz VJUYHWATDQTYSY-ZDUSSCGKSA-N 1 0 343.387 1.852 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)CCCOC)c1 ZINC000283922043 274012145 /nfs/dbraw/zinc/01/21/45/274012145.db2.gz KAKRQCXVFZSNSW-UHFFFAOYSA-N 1 0 339.392 1.692 20 5 EDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1nnc2ccccn21 ZINC000182743532 274248212 /nfs/dbraw/zinc/24/82/12/274248212.db2.gz YYLZGXJXVNFHPY-LLVKDONJSA-N 1 0 328.332 1.150 20 5 EDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc([N+](=O)[O-])cc2F)[N@H+](C)C1 ZINC000284626304 274269514 /nfs/dbraw/zinc/26/95/14/274269514.db2.gz LKQILWLXPWOXPB-RYUDHWBXSA-N 1 0 325.340 1.525 20 5 EDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000354017849 274300882 /nfs/dbraw/zinc/30/08/82/274300882.db2.gz CBOJFAIZEZZULY-CYBMUJFWSA-N 1 0 343.387 1.947 20 5 EDBDRO [NH3+]C[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000159100283 274947156 /nfs/dbraw/zinc/94/71/56/274947156.db2.gz SJYOTKGIZZQOHK-GFCCVEGCSA-N 1 0 348.359 1.136 20 5 EDBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262093329 275011533 /nfs/dbraw/zinc/01/15/33/275011533.db2.gz SAWBMVSQAIZUFV-AWEZNQCLSA-N 1 0 344.371 1.461 20 5 EDBDRO O=C1CNC(=O)N1CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130854207 275018731 /nfs/dbraw/zinc/01/87/31/275018731.db2.gz BTGWNIPUBKYAIJ-UHFFFAOYSA-N 1 0 332.360 1.501 20 5 EDBDRO O=[N+]([O-])c1cnc(N2CC[C@@]3(CC[NH2+]C3)C2)c(Br)c1 ZINC000261585058 275041272 /nfs/dbraw/zinc/04/12/72/275041272.db2.gz IFTJZTUWBFURCI-GFCCVEGCSA-N 1 0 327.182 1.942 20 5 EDBDRO CC[C@H](CO)[NH+]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255871684 287851620 /nfs/dbraw/zinc/85/16/20/287851620.db2.gz FFMJJKNOVRFHEZ-ZPIQOJFGSA-N 1 0 333.388 1.523 20 5 EDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000245526388 277155635 /nfs/dbraw/zinc/15/56/35/277155635.db2.gz PDAWGDYEESLESZ-WCQYABFASA-N 1 0 347.371 1.880 20 5 EDBDRO CN1CC[C@](O)(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000358248229 277184482 /nfs/dbraw/zinc/18/44/82/277184482.db2.gz GDQPMOGWVFSDCW-ZVZYQTTQSA-N 1 0 333.432 1.962 20 5 EDBDRO Cc1cc([N+](=O)[O-])cnc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000286496231 288020091 /nfs/dbraw/zinc/02/00/91/288020091.db2.gz WCFZBHVIBRJFPR-AGUYFDCRSA-N 1 0 347.419 1.794 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000186807669 278372988 /nfs/dbraw/zinc/37/29/88/278372988.db2.gz AYGZPBRSUAFEPP-JSGCOSHPSA-N 1 0 332.404 1.923 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N(C)CC(C)(C)C[NH3+])c1[N+](=O)[O-] ZINC000262751682 278798345 /nfs/dbraw/zinc/79/83/45/278798345.db2.gz GOAQBUNCALICMQ-UHFFFAOYSA-N 1 0 329.422 1.817 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262266692 278932018 /nfs/dbraw/zinc/93/20/18/278932018.db2.gz RYKCSBJSDKECID-HUUCEWRRSA-N 1 0 346.431 1.988 20 5 EDBDRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000193096204 279303335 /nfs/dbraw/zinc/30/33/35/279303335.db2.gz XKVRMXFQRUFVKY-GFCCVEGCSA-N 1 0 327.406 1.748 20 5 EDBDRO C[C@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[C@H](C[NH3+])C1 ZINC000261648889 279712710 /nfs/dbraw/zinc/71/27/10/279712710.db2.gz BENUZSKKWVLFQR-STQMWFEESA-N 1 0 343.387 1.980 20 5 EDBDRO CC[C@H](C)[N@H+](CCO)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000287593089 288273219 /nfs/dbraw/zinc/27/32/19/288273219.db2.gz YJALVXZTULOAND-NSHDSACASA-N 1 0 325.365 1.635 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000178338664 281011763 /nfs/dbraw/zinc/01/17/63/281011763.db2.gz RTRXRRCEIFRNHG-CQSZACIVSA-N 1 0 333.392 1.041 20 5 EDBDRO COC(=O)c1cc(C)nc(N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288061815 288394427 /nfs/dbraw/zinc/39/44/27/288394427.db2.gz YIVYXZMKMWJQBU-TVQRCGJNSA-N 1 0 334.376 1.979 20 5 EDBDRO C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272969903 289035175 /nfs/dbraw/zinc/03/51/75/289035175.db2.gz IZCLJEOZSOISLH-AWEZNQCLSA-N 1 0 334.376 1.544 20 5 EDBDRO C[C@H]1[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000291702873 289155640 /nfs/dbraw/zinc/15/56/40/289155640.db2.gz FNWIFVZVHSNUGA-WCQYABFASA-N 1 0 329.360 1.711 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC000291785983 289180165 /nfs/dbraw/zinc/18/01/65/289180165.db2.gz MNTBODRLBBJLRQ-AAEUAGOBSA-N 1 0 346.330 1.284 20 5 EDBDRO C[NH+](C)C[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCO1 ZINC000332054715 289201137 /nfs/dbraw/zinc/20/11/37/289201137.db2.gz YWMJQGIKUFQSIA-LLVKDONJSA-N 1 0 332.360 1.479 20 5 EDBDRO C[C@H](NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC000419147714 304571480 /nfs/dbraw/zinc/57/14/80/304571480.db2.gz JLRRTMIWCWFWRT-RWMBFGLXSA-N 1 0 346.387 1.125 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000419152090 304572211 /nfs/dbraw/zinc/57/22/11/304572211.db2.gz NZPONYSETBNLGY-STQMWFEESA-N 1 0 348.403 1.230 20 5 EDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000420281765 304743073 /nfs/dbraw/zinc/74/30/73/304743073.db2.gz MPNKGCUMYSBMPI-QWRGUYRKSA-N 1 0 327.406 1.928 20 5 EDBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420425460 304756973 /nfs/dbraw/zinc/75/69/73/304756973.db2.gz ULKMCBKWLISOJV-CYBMUJFWSA-N 1 0 327.406 1.056 20 5 EDBDRO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420462483 304760903 /nfs/dbraw/zinc/76/09/03/304760903.db2.gz HTXWQFUZJKYJKL-MNOVXSKESA-N 1 0 343.405 1.399 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000351480917 301684297 /nfs/dbraw/zinc/68/42/97/301684297.db2.gz WHVVAVOMGQJPHZ-TUAOUCFPSA-N 1 0 325.390 1.261 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3csc([N+](=O)[O-])c3)[C@H]2C1 ZINC000293884564 303033379 /nfs/dbraw/zinc/03/33/79/303033379.db2.gz LHENSTVHGCVKAZ-NWDGAFQWSA-N 1 0 325.390 1.592 20 5 EDBDRO Cn1nccc1[C@@H]1OCC[C@H]1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348920143 303082081 /nfs/dbraw/zinc/08/20/81/303082081.db2.gz ILOYECRPKLQPAE-SUMWQHHRSA-N 1 0 345.403 1.871 20 5 EDBDRO C[NH+]1CCN(c2cc(CNC(=O)CCC(C)(C)[N+](=O)[O-])ccn2)CC1 ZINC000294410741 303103874 /nfs/dbraw/zinc/10/38/74/303103874.db2.gz IZKCVBNCEBCJCW-UHFFFAOYSA-N 1 0 349.435 1.285 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C ZINC000294696825 303137118 /nfs/dbraw/zinc/13/71/18/303137118.db2.gz QQKBWZWGZCJWPP-BRMMKFBUSA-N 1 0 347.415 1.912 20 5 EDBDRO CC1(C)OCC[C@@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000295150318 303180262 /nfs/dbraw/zinc/18/02/62/303180262.db2.gz DDHXOOSLYZDJHU-ZDUSSCGKSA-N 1 0 337.332 1.419 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000295344984 303207519 /nfs/dbraw/zinc/20/75/19/303207519.db2.gz NRENRTSWTPDPKW-MRXNPFEDSA-N 1 0 348.359 1.979 20 5 EDBDRO CC1(C)C[C@@H](O)CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000295420345 303216520 /nfs/dbraw/zinc/21/65/20/303216520.db2.gz IKLZEJWWYAAACW-GJZGRUSLSA-N 1 0 338.404 1.817 20 5 EDBDRO C[C@@H]1[C@H](O)CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000296242088 303304061 /nfs/dbraw/zinc/30/40/61/303304061.db2.gz NMQGVGHRSZSOBA-QMTHXVAHSA-N 1 0 325.340 1.908 20 5 EDBDRO CN(CC[NH+](C)C)C(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000298505205 303530589 /nfs/dbraw/zinc/53/05/89/303530589.db2.gz YPMSBHUMGTZICI-UHFFFAOYSA-N 1 0 348.403 1.106 20 5 EDBDRO Cc1cc(NCCCc2nc(=O)[nH][nH]2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302063089 303710995 /nfs/dbraw/zinc/71/09/95/303710995.db2.gz ABWXAQVSHIWRQV-UHFFFAOYSA-N 1 0 328.332 1.908 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000420417476 304807198 /nfs/dbraw/zinc/80/71/98/304807198.db2.gz HIRWXBLCRRWXDP-CQSZACIVSA-N 1 0 339.417 1.293 20 5 EDBDRO C[C@@]([NH3+])(C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000423824879 304910536 /nfs/dbraw/zinc/91/05/36/304910536.db2.gz KBQPWSHQIGNJEV-KRWDZBQOSA-N 1 0 326.356 1.749 20 5 EDBDRO C[C@@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C[NH3+] ZINC000424008676 304924867 /nfs/dbraw/zinc/92/48/67/304924867.db2.gz HJXBHNGYHKAGEG-OLZOCXBDSA-N 1 0 343.387 1.837 20 5 EDBDRO C[C@@H]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C[NH3+] ZINC000424017102 304925396 /nfs/dbraw/zinc/92/53/96/304925396.db2.gz ORISKECJHXDREO-YPMHNXCESA-N 1 0 349.387 1.352 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CCCC[NH3+] ZINC000427932471 305001510 /nfs/dbraw/zinc/00/15/10/305001510.db2.gz GJPDDHGOFITLEO-NSHDSACASA-N 1 0 329.422 1.953 20 5 EDBDRO O=C1[C@H](N2CC[C@H]3[NH2+]CC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000428038362 305004805 /nfs/dbraw/zinc/00/48/05/305004805.db2.gz YAJZARKHHLCOOO-DAXOMENPSA-N 1 0 330.388 1.384 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000428127852 305007777 /nfs/dbraw/zinc/00/77/77/305007777.db2.gz HVNVYLRAVKYKPB-DGCLKSJQSA-N 1 0 349.387 1.637 20 5 EDBDRO CCCC[C@@H](C[NH3+])NC(=O)[C@@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000429611593 305033078 /nfs/dbraw/zinc/03/30/78/305033078.db2.gz OHPZMLOQDRYBMU-NWDGAFQWSA-N 1 0 340.428 1.461 20 5 EDBDRO CN1CCN(C(=O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000429701771 305035543 /nfs/dbraw/zinc/03/55/43/305035543.db2.gz XCRAASUPTHSEBV-UHFFFAOYSA-N 1 0 346.431 1.723 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CCC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430630477 305060225 /nfs/dbraw/zinc/06/02/25/305060225.db2.gz SERQKKRAHPSFII-GFCCVEGCSA-N 1 0 336.392 1.603 20 5 EDBDRO NC(=O)c1ccc(C[N@H+](CCO)[C@H]2CCCSC2)c([N+](=O)[O-])c1 ZINC000439007943 305192780 /nfs/dbraw/zinc/19/27/80/305192780.db2.gz MJVZUONLFZKJAJ-ZDUSSCGKSA-N 1 0 339.417 1.384 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000440435397 305206691 /nfs/dbraw/zinc/20/66/91/305206691.db2.gz CBOXTQCTPOFDFH-CQSZACIVSA-N 1 0 339.417 1.672 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000440758376 305212366 /nfs/dbraw/zinc/21/23/66/305212366.db2.gz VLHLLGIVOVPKJV-GZMMTYOYSA-N 1 0 347.368 1.100 20 5 EDBDRO COCC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447526176 305281309 /nfs/dbraw/zinc/28/13/09/305281309.db2.gz BUFVXWXIYQPLNR-CABCVRRESA-N 1 0 339.440 1.833 20 5 EDBDRO CC[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000449173711 305308658 /nfs/dbraw/zinc/30/86/58/305308658.db2.gz GLWBNLHVEWMXQP-UKRRQHHQSA-N 1 0 335.404 1.753 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451625948 305356911 /nfs/dbraw/zinc/35/69/11/305356911.db2.gz DSEIGMCZEUNVIO-SWLSCSKDSA-N 1 0 348.403 1.568 20 5 EDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])Nc1ccn([C@H]2CC[NH2+]C2)n1 ZINC000493635211 447357215 /nfs/dbraw/zinc/35/72/15/447357215.db2.gz VACSCKZZSKLUHH-OHVSUOQFSA-N 1 0 345.334 2.117 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000516635229 305739556 /nfs/dbraw/zinc/73/95/56/305739556.db2.gz UVXMTNPARWEKFX-STQMWFEESA-N 1 0 348.403 1.278 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000518273649 305760281 /nfs/dbraw/zinc/76/02/81/305760281.db2.gz GYFAMRQMBRBBBK-UHFFFAOYSA-N 1 0 336.392 1.118 20 5 EDBDRO CSc1ccc(C(=O)NCCOCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000540844927 306040716 /nfs/dbraw/zinc/04/07/16/306040716.db2.gz ZHXMPQPTSFZIEH-UHFFFAOYSA-N 1 0 327.406 1.625 20 5 EDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000554013332 306188688 /nfs/dbraw/zinc/18/86/88/306188688.db2.gz UCKBQKXADZAJNT-DZGCQCFKSA-N 1 0 340.401 1.421 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C2CC2)CC1 ZINC000555246458 306200642 /nfs/dbraw/zinc/20/06/42/306200642.db2.gz HYRNTXJMDMMASI-UHFFFAOYSA-N 1 0 333.388 1.964 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000419757912 447397476 /nfs/dbraw/zinc/39/74/76/447397476.db2.gz JLMQEKJGWBPLHJ-OCCSQVGLSA-N 1 0 348.403 1.153 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)c1C ZINC000070825423 441122730 /nfs/dbraw/zinc/12/27/30/441122730.db2.gz YWNUPIHOWWLPTJ-UHFFFAOYSA-N 1 0 341.433 1.926 20 5 EDBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000080650595 441186694 /nfs/dbraw/zinc/18/66/94/441186694.db2.gz FBFXGZRMBPCDFO-AWEZNQCLSA-N 1 0 335.404 1.900 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000104747834 441204323 /nfs/dbraw/zinc/20/43/23/441204323.db2.gz RTAANHNUJAEVLQ-GFCCVEGCSA-N 1 0 341.433 1.729 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1cnccn1 ZINC000080966269 441213987 /nfs/dbraw/zinc/21/39/87/441213987.db2.gz AXDHPIDUJDWPLN-UHFFFAOYSA-N 1 0 345.359 1.854 20 5 EDBDRO CC[NH+]1CCC(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1 ZINC000060793193 441257977 /nfs/dbraw/zinc/25/79/77/441257977.db2.gz RLTRHQFOKKDTCH-UHFFFAOYSA-N 1 0 335.360 1.596 20 5 EDBDRO O=C1C[C@@]2(CN1)CCC[N@@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000072829161 441263971 /nfs/dbraw/zinc/26/39/71/441263971.db2.gz FBTNGXXMQAECSJ-QGZVFWFLSA-N 1 0 347.371 1.563 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1CCOCC1 ZINC000048284615 441284869 /nfs/dbraw/zinc/28/48/69/441284869.db2.gz BPZAOKACCHTYDE-UHFFFAOYSA-N 1 0 337.376 1.446 20 5 EDBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000048313204 441291592 /nfs/dbraw/zinc/29/15/92/441291592.db2.gz ZLUFMRFHUWTTNR-CQSZACIVSA-N 1 0 344.375 1.140 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000073534698 441322772 /nfs/dbraw/zinc/32/27/72/441322772.db2.gz GEBIZUOJXZDWPE-CYBMUJFWSA-N 1 0 335.408 1.790 20 5 EDBDRO C[NH+](C)C1(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000073205274 441301293 /nfs/dbraw/zinc/30/12/93/441301293.db2.gz SXODXPMJHKUPBB-UHFFFAOYSA-N 1 0 336.392 1.505 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000050203991 441377732 /nfs/dbraw/zinc/37/77/32/441377732.db2.gz PVZGHACQLQKQSO-CYBMUJFWSA-N 1 0 346.387 1.538 20 5 EDBDRO O=C(CC[NH+]1CCC2(CC1)OCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000026936730 441390459 /nfs/dbraw/zinc/39/04/59/441390459.db2.gz WRZKRRPEPNZGDY-UHFFFAOYSA-N 1 0 335.360 1.762 20 5 EDBDRO CC[C@H](CO)[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083214156 441355885 /nfs/dbraw/zinc/35/58/85/441355885.db2.gz QPPCKQVBFXJSIK-GFCCVEGCSA-N 1 0 334.376 1.625 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CCC[N@@H+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000064305534 441370881 /nfs/dbraw/zinc/37/08/81/441370881.db2.gz MEAULQCSEPYNGV-UHFFFAOYSA-N 1 0 346.387 1.538 20 5 EDBDRO CCC[N@@H+]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000074355055 441425559 /nfs/dbraw/zinc/42/55/59/441425559.db2.gz MZKPKSQXMLFKOE-UHFFFAOYSA-N 1 0 341.433 1.842 20 5 EDBDRO CC(C)(C)C(=O)NCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000028755066 441437483 /nfs/dbraw/zinc/43/74/83/441437483.db2.gz IHHPMVSFCSHBFJ-GFCCVEGCSA-N 1 0 339.392 1.086 20 5 EDBDRO NS(=O)(=O)c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000052279667 441445005 /nfs/dbraw/zinc/44/50/05/441445005.db2.gz NFKAGRWHKMXCNV-QWHCGFSZSA-N 1 0 340.405 1.281 20 5 EDBDRO COc1cc(OCC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000108784599 441474573 /nfs/dbraw/zinc/47/45/73/441474573.db2.gz NMRCKABKZRQRHN-GFCCVEGCSA-N 1 0 349.387 1.583 20 5 EDBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000074971142 441483773 /nfs/dbraw/zinc/48/37/73/441483773.db2.gz YXZRAUFJWDUMGF-CMPLNLGQSA-N 1 0 343.380 1.591 20 5 EDBDRO CC[NH+]1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000030530252 441495312 /nfs/dbraw/zinc/49/53/12/441495312.db2.gz LDXQGTSECGHUFW-UHFFFAOYSA-N 1 0 327.406 1.666 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000108406313 441452373 /nfs/dbraw/zinc/45/23/73/441452373.db2.gz UDFZMOCWERVCEZ-GFCCVEGCSA-N 1 0 327.406 1.523 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108406697 441452890 /nfs/dbraw/zinc/45/28/90/441452890.db2.gz OBWWTDYRWOYFBH-LBPRGKRZSA-N 1 0 341.433 1.777 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108561085 441465004 /nfs/dbraw/zinc/46/50/04/441465004.db2.gz VNHXSFVGGDILJZ-AWEZNQCLSA-N 1 0 348.403 1.887 20 5 EDBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCC(CO)CC1 ZINC000089924641 441595199 /nfs/dbraw/zinc/59/51/99/441595199.db2.gz FOYFBEOTIAWUJA-UHFFFAOYSA-N 1 0 347.415 1.967 20 5 EDBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067105069 441605900 /nfs/dbraw/zinc/60/59/00/441605900.db2.gz HFPKUKWPUADSBU-UHFFFAOYSA-N 1 0 337.376 1.684 20 5 EDBDRO CC[NH+](CC)[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000067274098 441623088 /nfs/dbraw/zinc/62/30/88/441623088.db2.gz FXAPIXQVOATTSP-CQSZACIVSA-N 1 0 349.391 1.974 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000067703277 441668877 /nfs/dbraw/zinc/66/88/77/441668877.db2.gz NVYLQKWZMIKADY-CYBMUJFWSA-N 1 0 347.371 1.738 20 5 EDBDRO CC[NH+]1CCN(CCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000068117109 441736194 /nfs/dbraw/zinc/73/61/94/441736194.db2.gz PRIOIDXMDXAXIN-RMKNXTFCSA-N 1 0 346.431 1.752 20 5 EDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000115585466 441762737 /nfs/dbraw/zinc/76/27/37/441762737.db2.gz ARHAYMPMUVOCDH-GFCCVEGCSA-N 1 0 327.406 1.557 20 5 EDBDRO COc1ccc(OCCN2CCC[C@H]2C(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000173505715 441772077 /nfs/dbraw/zinc/77/20/77/441772077.db2.gz YDABGLGVEXKACB-ZDUSSCGKSA-N 1 0 337.376 1.535 20 5 EDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000137574889 441774367 /nfs/dbraw/zinc/77/43/67/441774367.db2.gz ZJNBFVRHBSLYHW-LBPRGKRZSA-N 1 0 329.360 1.462 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159272985 441800123 /nfs/dbraw/zinc/80/01/23/441800123.db2.gz VTIMRHFEVQCDEA-FPMFFAJLSA-N 1 0 346.387 1.066 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C2)c(C(F)(F)F)c1 ZINC000123178337 441879460 /nfs/dbraw/zinc/87/94/60/441879460.db2.gz KBYJYJJIVSSNDL-ZETCQYMHSA-N 1 0 339.295 1.254 20 5 EDBDRO COc1cc(CCNC(=O)C[N@H+](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000144317337 441881216 /nfs/dbraw/zinc/88/12/16/441881216.db2.gz ZXNHHGRHNKGVHC-UHFFFAOYSA-N 1 0 339.392 1.611 20 5 EDBDRO CC(C)[N@@H+]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000069082404 441886569 /nfs/dbraw/zinc/88/65/69/441886569.db2.gz BAHSSUHHHGHIRJ-UHFFFAOYSA-N 1 0 334.420 1.974 20 5 EDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000160532893 441893654 /nfs/dbraw/zinc/89/36/54/441893654.db2.gz LTLWQBADYLLPCL-VIFPVBQESA-N 1 0 325.390 1.759 20 5 EDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000119759180 441950483 /nfs/dbraw/zinc/95/04/83/441950483.db2.gz WALMWBFVNIFRGA-OAHLLOKOSA-N 1 0 332.404 1.921 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000120154044 442017366 /nfs/dbraw/zinc/01/73/66/442017366.db2.gz KGDAEGGNTIPIOW-UHFFFAOYSA-N 1 0 348.403 1.962 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)c1C ZINC000120309475 442046975 /nfs/dbraw/zinc/04/69/75/442046975.db2.gz DAEAVLZAFUHDTI-LBPRGKRZSA-N 1 0 327.406 1.536 20 5 EDBDRO Cc1nn(CCC(=O)N(CC[NH+](C)C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000151941812 442144072 /nfs/dbraw/zinc/14/40/72/442144072.db2.gz AEYFJIICAHRVJD-UHFFFAOYSA-N 1 0 325.413 1.597 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000163106898 442144673 /nfs/dbraw/zinc/14/46/73/442144673.db2.gz QPHZEZVPSYROLI-UHFFFAOYSA-N 1 0 336.392 1.729 20 5 EDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000127951258 442236135 /nfs/dbraw/zinc/23/61/35/442236135.db2.gz XXNMPQUOGUDJPM-LBPRGKRZSA-N 1 0 335.408 1.828 20 5 EDBDRO O=C1CCc2cc([N+](=O)[O-])c(NC[C@H](O)C[NH+]3CCCCC3)cc2N1 ZINC000170639622 442239851 /nfs/dbraw/zinc/23/98/51/442239851.db2.gz CYMSFDQFNZBARP-ZDUSSCGKSA-N 1 0 348.403 1.738 20 5 EDBDRO Cc1nn(CCC(=O)NC2CC[NH+](CC3CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000170668564 442245808 /nfs/dbraw/zinc/24/58/08/442245808.db2.gz CMKUSFOEQOPPFH-UHFFFAOYSA-N 1 0 349.435 1.789 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171127772 442316800 /nfs/dbraw/zinc/31/68/00/442316800.db2.gz JYBDCHZMJCCDNT-UHFFFAOYSA-N 1 0 347.375 1.089 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000133591805 442425617 /nfs/dbraw/zinc/42/56/17/442425617.db2.gz GCUNWXJZUSOPEO-WCQYABFASA-N 1 0 346.387 1.066 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000133591609 442425781 /nfs/dbraw/zinc/42/57/81/442425781.db2.gz GCUNWXJZUSOPEO-DGCLKSJQSA-N 1 0 346.387 1.066 20 5 EDBDRO O=C(CN1CC[NH+](C[C@@H]2CCOC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000178826167 442495042 /nfs/dbraw/zinc/49/50/42/442495042.db2.gz VKSYAPJAWLHAKY-AWEZNQCLSA-N 1 0 348.403 1.187 20 5 EDBDRO Cc1n[nH]c(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000156667640 442507278 /nfs/dbraw/zinc/50/72/78/442507278.db2.gz PFAFWSVGJAFPAU-FZMZJTMJSA-N 1 0 343.387 1.877 20 5 EDBDRO CC(=O)N1CC[C@H](C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000156419307 442478704 /nfs/dbraw/zinc/47/87/04/442478704.db2.gz NDTUQCBXBJKCGX-CQSZACIVSA-N 1 0 348.403 1.724 20 5 EDBDRO CCOc1cc(C(=O)NC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OC ZINC000157048839 442544708 /nfs/dbraw/zinc/54/47/08/442544708.db2.gz DWVMLHJEFACLCB-LLVKDONJSA-N 1 0 325.365 1.715 20 5 EDBDRO C[C@@H]([NH3+])CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000178912473 442522654 /nfs/dbraw/zinc/52/26/54/442522654.db2.gz FUQLEUUMRFMHMA-SSDOTTSWSA-N 1 0 341.311 1.629 20 5 EDBDRO COC(=O)N1CCC([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000186421212 442531643 /nfs/dbraw/zinc/53/16/43/442531643.db2.gz ITDAYJAYFQHXFF-NSHDSACASA-N 1 0 325.369 1.248 20 5 EDBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180532412 442617076 /nfs/dbraw/zinc/61/70/76/442617076.db2.gz IBDBATJLHJWWLC-GFCCVEGCSA-N 1 0 335.408 1.956 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186868090 442623379 /nfs/dbraw/zinc/62/33/79/442623379.db2.gz XGVPARRIUVHVPK-RISCZKNCSA-N 1 0 337.376 1.635 20 5 EDBDRO C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000193036419 442706978 /nfs/dbraw/zinc/70/69/78/442706978.db2.gz RHGIQALEBZEGLV-SKDRFNHKSA-N 1 0 333.435 1.842 20 5 EDBDRO CC[C@@H]([NH2+]C1CCN(CC(=O)NC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000192753336 442683220 /nfs/dbraw/zinc/68/32/20/442683220.db2.gz CDYVNOYDDQMTQZ-MRXNPFEDSA-N 1 0 334.420 1.846 20 5 EDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000187712160 442687893 /nfs/dbraw/zinc/68/78/93/442687893.db2.gz NXOIUTYXIJLXMW-AWEZNQCLSA-N 1 0 337.420 1.880 20 5 EDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000181345316 442691630 /nfs/dbraw/zinc/69/16/30/442691630.db2.gz WTXMLGALIXMYGG-ZDUSSCGKSA-N 1 0 348.403 1.255 20 5 EDBDRO Cc1sc(C(=O)N2CCN(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000193001403 442704479 /nfs/dbraw/zinc/70/44/79/442704479.db2.gz FBWZYKBJXBDIFZ-UHFFFAOYSA-N 1 0 326.422 1.284 20 5 EDBDRO NC(=O)C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000181959287 442723712 /nfs/dbraw/zinc/72/37/12/442723712.db2.gz QZUIVLFPQQNDDO-OAHLLOKOSA-N 1 0 337.376 1.234 20 5 EDBDRO CN(CC1([NH+](C)C)CCC1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000188081170 442709043 /nfs/dbraw/zinc/70/90/43/442709043.db2.gz BZAKBZMFFVYHJZ-UHFFFAOYSA-N 1 0 348.403 1.267 20 5 EDBDRO C[NH+](C)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000193871567 442802282 /nfs/dbraw/zinc/80/22/82/442802282.db2.gz QRLYDQVSWSTLGC-UHFFFAOYSA-N 1 0 331.369 1.449 20 5 EDBDRO CCOc1cc(C(=O)N2CC[NH+]3CCC2CC3)c([N+](=O)[O-])cc1OC ZINC000188603592 442767348 /nfs/dbraw/zinc/76/73/48/442767348.db2.gz QZTGLPWSAVEPBK-UHFFFAOYSA-N 1 0 349.387 1.922 20 5 EDBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[NH+]2CCC1CC2 ZINC000188830119 442822730 /nfs/dbraw/zinc/82/27/30/442822730.db2.gz AIHGMRYKSJGSJO-UHFFFAOYSA-N 1 0 341.371 1.701 20 5 EDBDRO C[C@H](CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[N@H+](C)C1CC1 ZINC000183010045 442864736 /nfs/dbraw/zinc/86/47/36/442864736.db2.gz VCKYWOHIARJGEE-BZNIZROVSA-N 1 0 346.387 1.687 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000268193903 442893798 /nfs/dbraw/zinc/89/37/98/442893798.db2.gz WYHCUOQKUCYXPX-RISCZKNCSA-N 1 0 339.417 1.664 20 5 EDBDRO CCC[C@H](C)C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181039087 318478682 /nfs/dbraw/zinc/47/86/82/318478682.db2.gz OTMBYCLAIILMHT-LBPRGKRZSA-N 1 0 329.422 1.899 20 5 EDBDRO COc1cc(OCC(=O)N2CCC[C@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000268212387 442901966 /nfs/dbraw/zinc/90/19/66/442901966.db2.gz VPIBTXLMFHGAHM-LBPRGKRZSA-N 1 0 337.376 1.535 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000268237105 442912772 /nfs/dbraw/zinc/91/27/72/442912772.db2.gz MJIDZPXMHUFHSC-ZYHUDNBSSA-N 1 0 343.405 1.174 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)NCC2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000189296515 442915467 /nfs/dbraw/zinc/91/54/67/442915467.db2.gz HKLZHRSUWFBLIE-UHFFFAOYSA-N 1 0 345.808 1.755 20 5 EDBDRO COc1cc(S(=O)(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000268299888 442937496 /nfs/dbraw/zinc/93/74/96/442937496.db2.gz XXHRNGYNJUIAHZ-GWCFXTLKSA-N 1 0 343.405 1.174 20 5 EDBDRO COc1cc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000268298678 442937834 /nfs/dbraw/zinc/93/78/34/442937834.db2.gz XKQRSJOBGSVEEY-JTQLQIEISA-N 1 0 331.394 1.222 20 5 EDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000194735537 442945131 /nfs/dbraw/zinc/94/51/31/442945131.db2.gz PNICBTJGALYJLN-GFCCVEGCSA-N 1 0 327.406 1.584 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000249212559 442960383 /nfs/dbraw/zinc/96/03/83/442960383.db2.gz SRCBIWLCUCVRAU-DOMZBBRYSA-N 1 0 348.403 1.640 20 5 EDBDRO C[C@H]1CCC[C@@](CNC(=O)c2cc([N+](=O)[O-])cnc2N)([NH+](C)C)C1 ZINC000183691710 442953396 /nfs/dbraw/zinc/95/33/96/442953396.db2.gz YSNBTIYLHAUSOM-MEDUHNTESA-N 1 0 335.408 1.812 20 5 EDBDRO COc1cc(C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1OC ZINC000266140658 443033549 /nfs/dbraw/zinc/03/35/49/443033549.db2.gz FNZJSQKKJAKAJC-GXFFZTMASA-N 1 0 337.376 1.634 20 5 EDBDRO COc1cc(OCC(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000266150200 443035496 /nfs/dbraw/zinc/03/54/96/443035496.db2.gz HAWGFBDXAKQNOZ-SMDDNHRTSA-N 1 0 337.376 1.391 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)C[C@@H]12 ZINC000185088439 443134022 /nfs/dbraw/zinc/13/40/22/443134022.db2.gz RHNDIZXGWGGUBL-BFHYXJOUSA-N 1 0 341.371 1.590 20 5 EDBDRO CCS(=O)(=O)N1CC(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000190686371 443163671 /nfs/dbraw/zinc/16/36/71/443163671.db2.gz IGCYUDDAGRDXFC-LLVKDONJSA-N 1 0 327.406 1.527 20 5 EDBDRO C[C@]1(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000261981994 443178518 /nfs/dbraw/zinc/17/85/18/443178518.db2.gz AMSPFDGANOTPAF-ZDUSSCGKSA-N 1 0 331.369 1.402 20 5 EDBDRO Cn1cc(C(=O)NC[C@@H]([NH3+])C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237885779 443187029 /nfs/dbraw/zinc/18/70/29/443187029.db2.gz HJUIWIQGHZNUNH-CQSZACIVSA-N 1 0 329.360 1.462 20 5 EDBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000266520106 443155085 /nfs/dbraw/zinc/15/50/85/443155085.db2.gz ZMOYYOZGFLFWGD-JOYOIKCWSA-N 1 0 326.303 1.781 20 5 EDBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000237051557 443156695 /nfs/dbraw/zinc/15/66/95/443156695.db2.gz BAIOTEVJFCYMLN-UHFFFAOYSA-N 1 0 341.433 1.913 20 5 EDBDRO COc1ccc(C[NH2+]CCCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000185206897 443161182 /nfs/dbraw/zinc/16/11/82/443161182.db2.gz PTONGTRQCNMYMI-UHFFFAOYSA-N 1 0 330.406 1.908 20 5 EDBDRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000327753224 318946305 /nfs/dbraw/zinc/94/63/05/318946305.db2.gz NACWXHGGVSTEEW-UKRRQHHQSA-N 1 0 347.419 1.546 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000411247707 319174541 /nfs/dbraw/zinc/17/45/41/319174541.db2.gz VSJRCYJEULBSBD-OAHLLOKOSA-N 1 0 348.403 1.607 20 5 EDBDRO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1F)N1CC[NH+](C)CC1 ZINC000413050247 319260371 /nfs/dbraw/zinc/26/03/71/319260371.db2.gz ZPIKIBZPIRQQFQ-CQSZACIVSA-N 1 0 325.388 1.813 20 5 EDBDRO CC[N@@H+]1CC[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000413849854 319293555 /nfs/dbraw/zinc/29/35/55/319293555.db2.gz YWTQUIWOBJFOEK-LBPRGKRZSA-N 1 0 334.376 1.462 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[C@@H]1[NH+](C)C ZINC000414465851 319327381 /nfs/dbraw/zinc/32/73/81/319327381.db2.gz UHZNPQNDNIOTGD-KBPBESRZSA-N 1 0 341.433 1.918 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCS(=O)(=O)CC ZINC000414538593 319329796 /nfs/dbraw/zinc/32/97/96/319329796.db2.gz BTUKSMGNQYVOGN-UHFFFAOYSA-N 1 0 330.406 1.908 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000415692187 319364272 /nfs/dbraw/zinc/36/42/72/319364272.db2.gz OHHHKHPVVVODDL-MRXNPFEDSA-N 1 0 334.376 1.293 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415893698 319382503 /nfs/dbraw/zinc/38/25/03/319382503.db2.gz NRKLYLUNWPOLFI-CHWSQXEVSA-N 1 0 346.387 1.218 20 5 EDBDRO [NH3+]CC[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000416001387 319389217 /nfs/dbraw/zinc/38/92/17/319389217.db2.gz AKBRJLAJBSOXCU-LLVKDONJSA-N 1 0 334.298 1.716 20 5 EDBDRO CC[C@H](CO)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000269471120 443316967 /nfs/dbraw/zinc/31/69/67/443316967.db2.gz JDVRRRKEJMPRQW-LLVKDONJSA-N 1 0 341.795 1.777 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000278397536 443318828 /nfs/dbraw/zinc/31/88/28/443318828.db2.gz FPQNEMZHEVCLEA-RDTXWAMCSA-N 1 0 349.431 1.813 20 5 EDBDRO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000282386072 443323340 /nfs/dbraw/zinc/32/33/40/443323340.db2.gz OQVGOIXTTPAVNT-SKDRFNHKSA-N 1 0 338.339 1.319 20 5 EDBDRO Cc1nnc([C@@H]2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000269638100 443374324 /nfs/dbraw/zinc/37/43/24/443374324.db2.gz ICSHEYDOFGURMV-HIFRSBDPSA-N 1 0 331.376 1.934 20 5 EDBDRO Cc1n[nH]c(C(=O)N2CCC(OCCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000267202148 443376312 /nfs/dbraw/zinc/37/63/12/443376312.db2.gz DIDNENSDDWUMGD-UHFFFAOYSA-N 1 0 339.396 1.199 20 5 EDBDRO COC(=O)[C@]1(C)C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000282731764 443418812 /nfs/dbraw/zinc/41/88/12/443418812.db2.gz MOZJCIFSUUYDES-SJKOYZFVSA-N 1 0 349.387 1.689 20 5 EDBDRO Cc1ccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000278757481 443427259 /nfs/dbraw/zinc/42/72/59/443427259.db2.gz XNCRZTOPUUUDJW-CHWSQXEVSA-N 1 0 336.392 1.822 20 5 EDBDRO C[N@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)C1CC1 ZINC000272042664 443522787 /nfs/dbraw/zinc/52/27/87/443522787.db2.gz RILZEAPUYFPQHH-UHFFFAOYSA-N 1 0 348.403 1.255 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000423593900 319788489 /nfs/dbraw/zinc/78/84/89/319788489.db2.gz NKNXHPNZWOYFFL-OLZOCXBDSA-N 1 0 334.376 1.019 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)n1 ZINC000427523690 319898199 /nfs/dbraw/zinc/89/81/99/319898199.db2.gz VLURWDIFROBXQP-NSHDSACASA-N 1 0 337.405 1.905 20 5 EDBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000440082517 320062252 /nfs/dbraw/zinc/06/22/52/320062252.db2.gz UZBWAWIDWPPRIM-LBPRGKRZSA-N 1 0 329.422 1.912 20 5 EDBDRO [NH3+]C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)CCC1 ZINC000440739516 320078480 /nfs/dbraw/zinc/07/84/80/320078480.db2.gz BGAQWRCRVXILSR-UHFFFAOYSA-N 1 0 336.373 1.303 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491560484 320372101 /nfs/dbraw/zinc/37/21/01/320372101.db2.gz FOTMJMNCEXGOQA-LYKUJDHUSA-N 1 0 337.351 1.584 20 5 EDBDRO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000492669269 320382338 /nfs/dbraw/zinc/38/23/38/320382338.db2.gz KZLADJKQAUKWFW-HSBSLETESA-N 1 0 347.415 1.912 20 5 EDBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000286251929 443677005 /nfs/dbraw/zinc/67/70/05/443677005.db2.gz AQJYPNDRCLUZEC-UKRRQHHQSA-N 1 0 337.376 1.777 20 5 EDBDRO CCc1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000517144992 320446753 /nfs/dbraw/zinc/44/67/53/320446753.db2.gz SAYXVNMLSDFOFY-CYBMUJFWSA-N 1 0 339.417 1.672 20 5 EDBDRO C[NH+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000523697321 320486780 /nfs/dbraw/zinc/48/67/80/320486780.db2.gz LVAHFJAHAJUXRU-UHFFFAOYSA-N 1 0 349.387 1.780 20 5 EDBDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[NH+](C)C ZINC000298604953 443814165 /nfs/dbraw/zinc/81/41/65/443814165.db2.gz PKJWEEFWVPWRQM-QMMMGPOBSA-N 1 0 328.756 1.253 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CCC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000298665343 443832805 /nfs/dbraw/zinc/83/28/05/443832805.db2.gz MAYOYTRLXFVBBL-UHFFFAOYSA-N 1 0 336.392 1.570 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000298685325 443838235 /nfs/dbraw/zinc/83/82/35/443838235.db2.gz SBZNHJABDDCTGS-UHFFFAOYSA-N 1 0 346.387 1.528 20 5 EDBDRO COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[NH+](C)C)c1 ZINC000298888232 443894027 /nfs/dbraw/zinc/89/40/27/443894027.db2.gz TYBXRXOFKNWKBY-AWEZNQCLSA-N 1 0 332.360 1.964 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000285096847 443855269 /nfs/dbraw/zinc/85/52/69/443855269.db2.gz DTSSHKKNPFCDBG-ZIAGYGMSSA-N 1 0 341.314 1.418 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000536883469 320732280 /nfs/dbraw/zinc/73/22/80/320732280.db2.gz WPHCUORNLPXVJJ-STQMWFEESA-N 1 0 341.433 1.978 20 5 EDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc([N+](=O)[O-])cc(C)c2F)[N@H+](C)C1 ZINC000285250002 443912313 /nfs/dbraw/zinc/91/23/13/443912313.db2.gz ZAUCZNHDKFXHPQ-STQMWFEESA-N 1 0 339.367 1.833 20 5 EDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[N@H+](C)C1 ZINC000285279321 443924126 /nfs/dbraw/zinc/92/41/26/443924126.db2.gz QKYDLCXKZYLOGI-RYUDHWBXSA-N 1 0 347.375 1.262 20 5 EDBDRO C[C@H](C[S@](C)=O)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299172483 443974777 /nfs/dbraw/zinc/97/47/77/443974777.db2.gz YGUGRPJQYDTMMJ-XFNZEKPQSA-N 1 0 327.406 1.622 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCOC[C@H]1C ZINC000277485152 443992061 /nfs/dbraw/zinc/99/20/61/443992061.db2.gz OLEPTHRLZGVYMU-DGCLKSJQSA-N 1 0 337.376 1.947 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000293353986 443992559 /nfs/dbraw/zinc/99/25/59/443992559.db2.gz DLFGWACMYXKICA-PHIMTYICSA-N 1 0 334.376 1.393 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000293407091 444009007 /nfs/dbraw/zinc/00/90/07/444009007.db2.gz MXSIQLXUMSDCGD-WCQYABFASA-N 1 0 349.387 1.826 20 5 EDBDRO Cc1n[nH]c(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c1[N+](=O)[O-] ZINC000299525953 444070598 /nfs/dbraw/zinc/07/05/98/444070598.db2.gz KMPNXXNEKLDCJP-ZDUSSCGKSA-N 1 0 331.376 1.529 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000299503147 444064937 /nfs/dbraw/zinc/06/49/37/444064937.db2.gz LFZUYOLLJPHNDI-UHFFFAOYSA-N 1 0 337.424 1.726 20 5 EDBDRO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000562986631 321084849 /nfs/dbraw/zinc/08/48/49/321084849.db2.gz QLIPGNYZJYYJAI-FQLMCAECSA-N 1 0 339.440 1.108 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000567841822 321261848 /nfs/dbraw/zinc/26/18/48/321261848.db2.gz RAQOSLBFOVZQGH-NWDGAFQWSA-N 1 0 333.323 1.034 20 5 EDBDRO CN(C)[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccsc1 ZINC000569065904 321316943 /nfs/dbraw/zinc/31/69/43/321316943.db2.gz YYNKTDJBVFPYCA-KBPBESRZSA-N 1 0 339.421 1.106 20 5 EDBDRO CC(C)[NH2+]CCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000570089736 321337294 /nfs/dbraw/zinc/33/72/94/321337294.db2.gz XLEVFICGYDWWSD-UHFFFAOYSA-N 1 0 332.364 1.293 20 5 EDBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC000570710858 321354928 /nfs/dbraw/zinc/35/49/28/321354928.db2.gz NFQSQXVRHQVTHJ-WCQYABFASA-N 1 0 333.344 1.786 20 5 EDBDRO O=c1c([N+](=O)[O-])c(N2CC[N@@H+]3CCCC[C@H]3C2)nc2ccccn12 ZINC000301066982 444142082 /nfs/dbraw/zinc/14/20/82/444142082.db2.gz DFCMNNJXPIAKCW-LBPRGKRZSA-N 1 0 329.360 1.277 20 5 EDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000285906653 444148669 /nfs/dbraw/zinc/14/86/69/444148669.db2.gz DEQOYHUZKVICBE-UEKVPHQBSA-N 1 0 344.375 1.292 20 5 EDBDRO C[NH+](C)C1CN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000302165990 444206577 /nfs/dbraw/zinc/20/65/77/444206577.db2.gz ZYDMVJKUWBPFQR-UHFFFAOYSA-N 1 0 347.156 1.950 20 5 EDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])cc3OC(F)F)C[C@H]21 ZINC000302226849 444209821 /nfs/dbraw/zinc/20/98/21/444209821.db2.gz PYMKFAAKOFGOFO-DGCLKSJQSA-N 1 0 329.303 1.715 20 5 EDBDRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302257933 444211113 /nfs/dbraw/zinc/21/11/13/444211113.db2.gz ORBUSQVCDHKWNR-LBPRGKRZSA-N 1 0 333.396 1.075 20 5 EDBDRO C[C@]1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCC[C@@H]1O ZINC000575748112 321525794 /nfs/dbraw/zinc/52/57/94/321525794.db2.gz BHHWKQZYPRGVHR-BHYGNILZSA-N 1 0 338.404 1.865 20 5 EDBDRO Cc1c(CO)cc([N+](=O)[O-])c(N2C[C@H]([NH+](C)C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301612619 444182046 /nfs/dbraw/zinc/18/20/46/444182046.db2.gz SNGOPONUNFHVJO-ZANVPECISA-N 1 0 338.364 1.690 20 5 EDBDRO COc1ccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000290139580 444247329 /nfs/dbraw/zinc/24/73/29/444247329.db2.gz NTYUXQQJTLUJIO-GFCCVEGCSA-N 1 0 328.390 1.518 20 5 EDBDRO C[C@@H](Cn1ccnc1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576696100 321587843 /nfs/dbraw/zinc/58/78/43/321587843.db2.gz CPTNJVXBJUWVTG-LBPRGKRZSA-N 1 0 338.389 1.243 20 5 EDBDRO CNS(=O)(=O)c1ccc(N[C@H](C[NH3+])CC(C)C)c([N+](=O)[O-])c1 ZINC000315716155 444306320 /nfs/dbraw/zinc/30/63/20/444306320.db2.gz RDRDUVMLVMBROF-JTQLQIEISA-N 1 0 330.410 1.288 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC[C@@H]1[NH3+] ZINC000317204094 444314574 /nfs/dbraw/zinc/31/45/74/444314574.db2.gz IRUVZCXNYBNWFZ-YPMHNXCESA-N 1 0 327.406 1.651 20 5 EDBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000290774279 444321403 /nfs/dbraw/zinc/32/14/03/444321403.db2.gz MKSRQPDNEWQQMN-LLVKDONJSA-N 1 0 344.437 1.775 20 5 EDBDRO NC(=O)c1ccnc(N2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000290525973 444291571 /nfs/dbraw/zinc/29/15/71/444291571.db2.gz CVHVRHGDRLRELQ-UHFFFAOYSA-N 1 0 333.392 1.543 20 5 EDBDRO CC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])c(C)c(Br)c1=O ZINC000312716602 444295032 /nfs/dbraw/zinc/29/50/32/444295032.db2.gz HZPDCZKLFSWVPQ-SECBINFHSA-N 1 0 348.197 1.140 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000314336333 444299679 /nfs/dbraw/zinc/29/96/79/444299679.db2.gz MCVATSDZMXVMAY-NSHDSACASA-N 1 0 325.390 1.548 20 5 EDBDRO CC[C@]1(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC[NH2+]1 ZINC000325296106 444364250 /nfs/dbraw/zinc/36/42/50/444364250.db2.gz SNMWJGAWEWUQCR-MRXNPFEDSA-N 1 0 333.392 1.171 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000578531387 321790925 /nfs/dbraw/zinc/79/09/25/321790925.db2.gz FBWKDHIBLGUEQW-OLZOCXBDSA-N 1 0 339.417 1.672 20 5 EDBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@]1(C)CCCO1 ZINC000340507676 444416130 /nfs/dbraw/zinc/41/61/30/444416130.db2.gz XODQAVYHMYRHBG-SWLSCSKDSA-N 1 0 342.417 1.916 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H](C)[NH+]2CCCC2)c1F ZINC000580533038 322062646 /nfs/dbraw/zinc/06/26/46/322062646.db2.gz POGKDUVRXPMNLT-NSHDSACASA-N 1 0 339.367 1.886 20 5 EDBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000581304423 322161319 /nfs/dbraw/zinc/16/13/19/322161319.db2.gz QLXBFWHYWIOWKP-UHFFFAOYSA-N 1 0 329.353 1.251 20 5 EDBDRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000581662616 322205528 /nfs/dbraw/zinc/20/55/28/322205528.db2.gz PIWONLQIUXTURQ-SWLSCSKDSA-N 1 0 332.404 1.996 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(O)CCSC1 ZINC000341275127 444757846 /nfs/dbraw/zinc/75/78/46/444757846.db2.gz JKLZVUYYZMXBFX-XHDPSFHLSA-N 1 0 339.417 1.770 20 5 EDBDRO COC(=O)c1cc(C)nc(NCC[N@H+]2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000342844644 444890454 /nfs/dbraw/zinc/89/04/54/444890454.db2.gz WIRRTWUNKJNEBI-UHFFFAOYSA-N 1 0 334.376 2.149 20 5 EDBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342953491 444963667 /nfs/dbraw/zinc/96/36/67/444963667.db2.gz PQKYJCRFFOQEIP-UHFFFAOYSA-N 1 0 346.387 1.653 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000344440838 444973829 /nfs/dbraw/zinc/97/38/29/444973829.db2.gz YITSPGIDKGYBGW-WCQYABFASA-N 1 0 334.376 1.441 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(=O)n(C[C@@H]2CCCC[N@@H+]2C(C)C)c1 ZINC000339118715 445039890 /nfs/dbraw/zinc/03/98/90/445039890.db2.gz CGVANRXUGYXGLP-ZDUSSCGKSA-N 1 0 337.376 1.806 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000339247519 445113376 /nfs/dbraw/zinc/11/33/76/445113376.db2.gz SPRASPVVEVIMKL-UHFFFAOYSA-N 1 0 347.375 1.089 20 5 EDBDRO CC(C)(C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000343174344 445115355 /nfs/dbraw/zinc/11/53/55/445115355.db2.gz JYGJVNMEBBEUJN-CQSZACIVSA-N 1 0 349.431 1.835 20 5 EDBDRO Cc1n[nH]c(C(=O)NCc2ccc(Cn3ccnc3)cc2)c1[N+](=O)[O-] ZINC000354606457 445311675 /nfs/dbraw/zinc/31/16/75/445311675.db2.gz WNURFNOISDATIQ-UHFFFAOYSA-N 1 0 340.343 1.801 20 5 EDBDRO CC[NH+](CC)CCOCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000348156799 445292531 /nfs/dbraw/zinc/29/25/31/445292531.db2.gz DYICPKBLEPTPTG-UHFFFAOYSA-N 1 0 327.356 1.822 20 5 EDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000348158450 445294092 /nfs/dbraw/zinc/29/40/92/445294092.db2.gz HVWTUULKQFISGL-QWHCGFSZSA-N 1 0 337.376 1.487 20 5 EDBDRO Cc1cnc(N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000354740308 445359690 /nfs/dbraw/zinc/35/96/90/445359690.db2.gz AGWFJOXRWSPKBZ-CQSZACIVSA-N 1 0 333.436 1.903 20 5 EDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000362435747 445380267 /nfs/dbraw/zinc/38/02/67/445380267.db2.gz XAQKDTOHYFRMDV-WDEREUQCSA-N 1 0 339.779 1.841 20 5 EDBDRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000362604075 445459377 /nfs/dbraw/zinc/45/93/77/445459377.db2.gz YTIQJZGUCWLFTI-GFCCVEGCSA-N 1 0 349.387 1.319 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000359987396 445515872 /nfs/dbraw/zinc/51/58/72/445515872.db2.gz VMKBIKIGZBXEIO-LBPRGKRZSA-N 1 0 347.368 1.100 20 5 EDBDRO COC[C@]1(CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000357268850 445517595 /nfs/dbraw/zinc/51/75/95/445517595.db2.gz MIVSBWVFLNCMPP-OAHLLOKOSA-N 1 0 339.417 1.815 20 5 EDBDRO CC[C@@H](CO)[NH+]1CCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000360129935 445584008 /nfs/dbraw/zinc/58/40/08/445584008.db2.gz WFVWEITWZCNADE-ZDUSSCGKSA-N 1 0 337.376 1.274 20 5 EDBDRO C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000349685089 445645115 /nfs/dbraw/zinc/64/51/15/445645115.db2.gz MWSIESBBRFJHKJ-NWDGAFQWSA-N 1 0 328.390 1.526 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000356160432 445654892 /nfs/dbraw/zinc/65/48/92/445654892.db2.gz BWKIBCIAOWPJPE-AWEZNQCLSA-N 1 0 343.387 1.895 20 5 EDBDRO O=C1C[C@H]([C@H]2CCCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])CN1 ZINC000363147422 445696594 /nfs/dbraw/zinc/69/65/94/445696594.db2.gz UCJFYWXUKPZTEJ-UONOGXRCSA-N 1 0 333.388 1.964 20 5 EDBDRO Cn1ccnc1[C@H](NC[C@@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000353676823 445704014 /nfs/dbraw/zinc/70/40/14/445704014.db2.gz WWUMHKUHMIORTB-WBVHZDCISA-N 1 0 345.403 1.074 20 5 EDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])nn1C)[C@H](c1ccccc1)[NH+](C)C ZINC000356258790 445704826 /nfs/dbraw/zinc/70/48/26/445704826.db2.gz SMDXMBMGSSZNNE-IAQYHMDHSA-N 1 0 331.376 1.750 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]C[C@@]2(C)CCCO2)cc1[N+](=O)[O-] ZINC000353756076 445740290 /nfs/dbraw/zinc/74/02/90/445740290.db2.gz FBWLSFFMKOUIDL-MRXNPFEDSA-N 1 0 338.360 1.805 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000353761872 445743449 /nfs/dbraw/zinc/74/34/49/445743449.db2.gz FGDLIFFOFAWVTI-CYBMUJFWSA-N 1 0 337.376 1.330 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000356513950 445833930 /nfs/dbraw/zinc/83/39/30/445833930.db2.gz ZWXDMRNUQYEUPK-UHFFFAOYSA-N 1 0 343.387 1.854 20 5 EDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000353996751 445845447 /nfs/dbraw/zinc/84/54/47/445845447.db2.gz IMBISFBCMPLXFM-ZDUSSCGKSA-N 1 0 343.387 1.947 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358969400 445867677 /nfs/dbraw/zinc/86/76/77/445867677.db2.gz ANWUDRMFXKXLNS-UHFFFAOYSA-N 1 0 347.318 1.504 20 5 EDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000365963434 445930883 /nfs/dbraw/zinc/93/08/83/445930883.db2.gz QTRMYNNHIUWHSX-IRXDYDNUSA-N 1 0 347.415 1.585 20 5 EDBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000359021783 445892960 /nfs/dbraw/zinc/89/29/60/445892960.db2.gz BEZZYDPBEWILPI-NSHDSACASA-N 1 0 348.407 1.999 20 5 EDBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000356765314 445995553 /nfs/dbraw/zinc/99/55/53/445995553.db2.gz KEZVELVFUSIPMD-LBPRGKRZSA-N 1 0 336.392 1.170 20 5 EDBDRO CO[C@H]1CCC[C@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583867137 326155388 /nfs/dbraw/zinc/15/53/88/326155388.db2.gz SXLOMENTFOCCPY-WFASDCNBSA-N 1 0 342.417 1.773 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000351480518 446081370 /nfs/dbraw/zinc/08/13/70/446081370.db2.gz VNTVXFXGUIZHEP-IGQOVBAYSA-N 1 0 332.404 1.899 20 5 EDBDRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)C1 ZINC000366227977 446094006 /nfs/dbraw/zinc/09/40/06/446094006.db2.gz VSTQYLMROOXGSC-GFCCVEGCSA-N 1 0 331.419 1.373 20 5 EDBDRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000366230641 446095622 /nfs/dbraw/zinc/09/56/22/446095622.db2.gz RTSYFZDCZVBVOD-AWEZNQCLSA-N 1 0 325.390 1.311 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]12 ZINC000351495953 446099928 /nfs/dbraw/zinc/09/99/28/446099928.db2.gz QIKAGCGYEGCNFV-FPMFFAJLSA-N 1 0 329.360 1.814 20 5 EDBDRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(C)C ZINC000351496999 446101368 /nfs/dbraw/zinc/10/13/68/446101368.db2.gz VFNBTRYYXYKLNY-UHFFFAOYSA-N 1 0 340.355 1.519 20 5 EDBDRO Cc1cc(N2CCN3CCOC[C@@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000369409060 446116555 /nfs/dbraw/zinc/11/65/55/446116555.db2.gz ORPLPOXIMRGCMW-ZDUSSCGKSA-N 1 0 328.372 1.972 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000351596499 446193194 /nfs/dbraw/zinc/19/31/94/446193194.db2.gz IOCHWUXTUBBGNR-UHFFFAOYSA-N 1 0 338.339 1.227 20 5 EDBDRO CNC(=O)c1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000373295314 446150677 /nfs/dbraw/zinc/15/06/77/446150677.db2.gz VIRLYRMDWZGKDL-UHFFFAOYSA-N 1 0 343.387 1.988 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362075187 446194973 /nfs/dbraw/zinc/19/49/73/446194973.db2.gz HVHVGOGCFFPPBV-VXGBXAGGSA-N 1 0 337.376 1.492 20 5 EDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])C2)C1 ZINC000366595437 446274755 /nfs/dbraw/zinc/27/47/55/446274755.db2.gz KQOGOJZZXMJYFR-KRWDZBQOSA-N 1 0 333.388 1.918 20 5 EDBDRO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000370613202 446358713 /nfs/dbraw/zinc/35/87/13/446358713.db2.gz XGVAIEMSPKHYHA-QGZVFWFLSA-N 1 0 344.415 1.585 20 5 EDBDRO O=C(C[N@H+]1CC[C@@](O)(C2CC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000365841091 446365666 /nfs/dbraw/zinc/36/56/66/446365666.db2.gz YABUBIQJBHVTKY-KRWDZBQOSA-N 1 0 331.372 1.331 20 5 EDBDRO CC(C)([NH3+])CNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000370793125 446446434 /nfs/dbraw/zinc/44/64/34/446446434.db2.gz IFSOMHCISPMZLW-GOEBONIOSA-N 1 0 346.431 1.980 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000374831166 446410937 /nfs/dbraw/zinc/41/09/37/446410937.db2.gz WXTOVCFWYLSIED-OCCSQVGLSA-N 1 0 349.387 1.587 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000376398527 446474336 /nfs/dbraw/zinc/47/43/36/446474336.db2.gz GYNPUBDQAOEWJZ-HZUKXOBISA-N 1 0 330.388 1.733 20 5 EDBDRO C[C@]1(F)C[NH2+]CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000420324751 446491957 /nfs/dbraw/zinc/49/19/57/446491957.db2.gz CKOFBNQYNHWRRV-ZBFHGGJFSA-N 1 0 336.367 1.334 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H]4C[NH2+]C[C@H]43)n2)cc1 ZINC000420333746 446503162 /nfs/dbraw/zinc/50/31/62/446503162.db2.gz FQKMIJGPAFNJBK-GXTWGEPZSA-N 1 0 329.360 1.829 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000411446158 446547109 /nfs/dbraw/zinc/54/71/09/446547109.db2.gz AIKAHUFBCMOGTQ-UHFFFAOYSA-N 1 0 332.360 1.148 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000420433026 446606757 /nfs/dbraw/zinc/60/67/57/446606757.db2.gz YQOSCEUKCJOMIC-WCQYABFASA-N 1 0 327.406 1.136 20 5 EDBDRO C[C@@H]1OCC[C@H]1[N@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411665964 446638962 /nfs/dbraw/zinc/63/89/62/446638962.db2.gz UIFYHPAEJZBSIY-SWLSCSKDSA-N 1 0 337.376 1.395 20 5 EDBDRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420467783 446644349 /nfs/dbraw/zinc/64/43/49/446644349.db2.gz XORWGLWTKFDWAB-CQSZACIVSA-N 1 0 343.449 1.772 20 5 EDBDRO O=C(N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C12CCC[NH+]1CCC2 ZINC000368123568 446654677 /nfs/dbraw/zinc/65/46/77/446654677.db2.gz MAZYIWNKEJWAFM-ZDUSSCGKSA-N 1 0 333.392 1.583 20 5 EDBDRO C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000418774641 446693058 /nfs/dbraw/zinc/69/30/58/446693058.db2.gz DHKBJTHJTGLWAB-WCQYABFASA-N 1 0 334.376 1.030 20 5 EDBDRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418778353 446695400 /nfs/dbraw/zinc/69/54/00/446695400.db2.gz IOUJYHYTXTTWSI-GFCCVEGCSA-N 1 0 348.403 1.230 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000418783752 446699710 /nfs/dbraw/zinc/69/97/10/446699710.db2.gz GIHDRZCJRKMVGT-ZIAGYGMSSA-N 1 0 347.419 1.554 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000376864416 446762745 /nfs/dbraw/zinc/76/27/45/446762745.db2.gz NIRUPWMPNPPDEH-FMKPAKJESA-N 1 0 336.388 1.978 20 5 EDBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000371352495 446799955 /nfs/dbraw/zinc/79/99/55/446799955.db2.gz XPWIBRCPRMGVQF-HOCLYGCPSA-N 1 0 333.436 1.760 20 5 EDBDRO CCOC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])s2)CC[NH+](C)CC1 ZINC000376871592 446767915 /nfs/dbraw/zinc/76/79/15/446767915.db2.gz RVFYZMLXRMHBKA-UHFFFAOYSA-N 1 0 341.389 1.414 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368312093 446778531 /nfs/dbraw/zinc/77/85/31/446778531.db2.gz IWBRBMRRRKHGQM-GZMMTYOYSA-N 1 0 331.781 1.231 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N[C@@H](C[NH3+])C(C)(C)C)ccc1[N+](=O)[O-] ZINC000423951165 446795101 /nfs/dbraw/zinc/79/51/01/446795101.db2.gz JGNFJXCOYZQXNP-ZDUSSCGKSA-N 1 0 336.392 1.123 20 5 EDBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1[NH3+] ZINC000423953228 446796770 /nfs/dbraw/zinc/79/67/70/446796770.db2.gz AXTXLMFAXAEPRA-PRHODGIISA-N 1 0 342.193 1.705 20 5 EDBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000375493265 446846410 /nfs/dbraw/zinc/84/64/10/446846410.db2.gz AXHLCCXWVWYZHB-NSHDSACASA-N 1 0 341.795 1.777 20 5 EDBDRO CN1CC[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)[C@@H]2C1 ZINC000371492868 446889756 /nfs/dbraw/zinc/88/97/56/446889756.db2.gz JYEFLYJHTAOWQJ-VHSXEESVSA-N 1 0 331.419 1.371 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](C[C@H]4C[C@@H](O)C4)CC3)nc2c1 ZINC000420924727 446894762 /nfs/dbraw/zinc/89/47/62/446894762.db2.gz UIGOFQJAJDDTIR-XBXGTLAGSA-N 1 0 345.403 1.754 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](O)CC23CCC3)c1 ZINC000420993681 446970795 /nfs/dbraw/zinc/97/07/95/446970795.db2.gz MCICOTZEJXXLKY-LSDHHAIUSA-N 1 0 336.388 1.714 20 5 EDBDRO C[C@@H](NC(=O)C(=O)NCCC[NH2+]C1CC1)c1ccccc1[N+](=O)[O-] ZINC000419144971 446959404 /nfs/dbraw/zinc/95/94/04/446959404.db2.gz HHTZQIMWMAYWMY-LLVKDONJSA-N 1 0 334.376 1.030 20 5 EDBDRO C[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000419150188 446965584 /nfs/dbraw/zinc/96/55/84/446965584.db2.gz MAAKOWZNOJUKEI-SCRDCRAPSA-N 1 0 348.403 1.406 20 5 EDBDRO CC[C@@H](NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000419161136 446977640 /nfs/dbraw/zinc/97/76/40/446977640.db2.gz IHNGGBLLWYGDSX-SWLSCSKDSA-N 1 0 348.403 1.278 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c2nonc21 ZINC000375772645 447036279 /nfs/dbraw/zinc/03/62/79/447036279.db2.gz KDNNWJKQVCHXHY-MFKMUULPSA-N 1 0 333.348 1.166 20 5 EDBDRO CNc1nc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000455160215 447066886 /nfs/dbraw/zinc/06/68/86/447066886.db2.gz IRMNXJPFQCPAST-LBPRGKRZSA-N 1 0 335.408 1.882 20 5 EDBDRO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000444389320 447100930 /nfs/dbraw/zinc/10/09/30/447100930.db2.gz AZEXGXQGOWQGJS-LLVKDONJSA-N 1 0 336.392 1.094 20 5 EDBDRO O=C1Nc2ccccc2[C@]12CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000368792176 447108693 /nfs/dbraw/zinc/10/86/93/447108693.db2.gz NXARSKDKBKARSQ-MRXNPFEDSA-N 1 0 327.344 1.387 20 5 EDBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444633825 447111591 /nfs/dbraw/zinc/11/15/91/447111591.db2.gz FCJNIMWIWPRHLW-GHMZBOCLSA-N 1 0 331.376 1.960 20 5 EDBDRO COc1cc(CN2CC[N@H+](CC(C)(C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000444675537 447118612 /nfs/dbraw/zinc/11/86/12/447118612.db2.gz RNXNZXHPESCKQB-CYBMUJFWSA-N 1 0 337.420 1.880 20 5 EDBDRO CCOc1cc(CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000419325741 447092380 /nfs/dbraw/zinc/09/23/80/447092380.db2.gz BGYVRYZHPUJHMQ-UONOGXRCSA-N 1 0 337.420 1.880 20 5 EDBDRO Cc1ccc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000421394832 447148687 /nfs/dbraw/zinc/14/86/87/447148687.db2.gz UBAAKPAIKUWLSA-QWRGUYRKSA-N 1 0 331.294 1.999 20 5 EDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000377482025 447153715 /nfs/dbraw/zinc/15/37/15/447153715.db2.gz RKAIGYCHEGEAQS-YCZSJOHXSA-N 1 0 331.372 1.587 20 5 EDBDRO C[C@H](O)C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000425446957 447167882 /nfs/dbraw/zinc/16/78/82/447167882.db2.gz PPZOLXFETCMMRF-UWVGGRQHSA-N 1 0 347.209 1.921 20 5 EDBDRO Nc1c(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000375981862 447189875 /nfs/dbraw/zinc/18/98/75/447189875.db2.gz YQBXUXJCHZOBOX-AWEZNQCLSA-N 1 0 326.356 1.794 20 5 EDBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](n3ccnn3)C2)c([N+](=O)[O-])c1 ZINC000425501032 447194634 /nfs/dbraw/zinc/19/46/34/447194634.db2.gz MYPWMEAVOMDDRO-CYBMUJFWSA-N 1 0 347.375 1.911 20 5 EDBDRO CCOc1cc(C[NH+]2CCC3(CNC(=O)N3C)CC2)ccc1[N+](=O)[O-] ZINC000425536831 447217065 /nfs/dbraw/zinc/21/70/65/447217065.db2.gz GHVZVKGSZGEBMB-UHFFFAOYSA-N 1 0 348.403 1.983 20 5 EDBDRO NC(=O)C[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000377603437 447237848 /nfs/dbraw/zinc/23/78/48/447237848.db2.gz FZCKHRHHHHABHG-JTQLQIEISA-N 1 0 338.339 1.260 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000372790542 447286643 /nfs/dbraw/zinc/28/66/43/447286643.db2.gz LYEXXFQOEQFKEJ-HUUCEWRRSA-N 1 0 339.417 1.795 20 5 EDBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000372733343 447257365 /nfs/dbraw/zinc/25/73/65/447257365.db2.gz WWEQZUVDAZVMQY-NSHDSACASA-N 1 0 341.795 1.777 20 5 EDBDRO CNC(=O)c1ccc(NC[C@H]2CCC[N@@H+]2CCCO)c([N+](=O)[O-])c1 ZINC000450589940 447532361 /nfs/dbraw/zinc/53/23/61/447532361.db2.gz DCNSMHPEXNLMHS-CYBMUJFWSA-N 1 0 336.392 1.213 20 5 EDBDRO COC(=O)CC1([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000459390224 447650042 /nfs/dbraw/zinc/65/00/42/447650042.db2.gz PFNIUCZKZFZMIN-UHFFFAOYSA-N 1 0 347.371 1.559 20 5 EDBDRO CCN(CC)S(=O)(=O)c1ccc(N(C)[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000420191544 447663038 /nfs/dbraw/zinc/66/30/38/447663038.db2.gz RRWLDQIQKJIQMX-LLVKDONJSA-N 1 0 344.437 1.409 20 5 EDBDRO C[C@]1(CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CCC[NH2+]C1 ZINC000420230414 447679510 /nfs/dbraw/zinc/67/95/10/447679510.db2.gz PZSYXPYJOTYRAX-ZDUSSCGKSA-N 1 0 328.394 1.044 20 5 EDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420235378 447681410 /nfs/dbraw/zinc/68/14/10/447681410.db2.gz DPDAAWXLOCZLFX-NSHDSACASA-N 1 0 333.314 1.546 20 5 EDBDRO C[C@@H](CCCc1cccnc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000459646200 447730969 /nfs/dbraw/zinc/73/09/69/447730969.db2.gz RRJXZWCLUCVWPV-BBRMVZONSA-N 1 0 333.392 1.548 20 5 EDBDRO COC[C@@]1(CO)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000451939504 447792560 /nfs/dbraw/zinc/79/25/60/447792560.db2.gz WQGWGWMTPWFRCA-INIZCTEOSA-N 1 0 337.376 1.254 20 5 EDBDRO CNc1nccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000569865994 447907882 /nfs/dbraw/zinc/90/78/82/447907882.db2.gz YWOUYXUPUCICKZ-MBNYWOFBSA-N 1 0 347.419 1.834 20 5 EDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000575989166 447945479 /nfs/dbraw/zinc/94/54/79/447945479.db2.gz SCPPOECBJMUUGO-DYVFJYSZSA-N 1 0 332.404 1.997 20 5 EDBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000530594344 447923264 /nfs/dbraw/zinc/92/32/64/447923264.db2.gz DFDZJQXZUDJRBD-AWEZNQCLSA-N 1 0 338.408 1.506 20 5 EDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000553163298 447976525 /nfs/dbraw/zinc/97/65/25/447976525.db2.gz MMAHQVGBVQXURB-NEPJUHHUSA-N 1 0 333.392 1.730 20 5 EDBDRO CCOc1cc(C(=O)N(C)C2(C[NH3+])CCC2)c([N+](=O)[O-])cc1OC ZINC000570835728 448072350 /nfs/dbraw/zinc/07/23/50/448072350.db2.gz VVYYPWARLMWDCC-UHFFFAOYSA-N 1 0 337.376 1.956 20 5 EDBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000527113903 448161663 /nfs/dbraw/zinc/16/16/63/448161663.db2.gz NXFAFCLJBORXJP-UHFFFAOYSA-N 1 0 349.387 1.922 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000576825112 448149332 /nfs/dbraw/zinc/14/93/32/448149332.db2.gz JWBGVKYFCRFRAY-KKZNHRDASA-N 1 0 326.401 1.069 20 5 EDBDRO CNc1nccc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000561156850 448232963 /nfs/dbraw/zinc/23/29/63/448232963.db2.gz VYRYEEANHDHHJT-CYBMUJFWSA-N 1 0 349.435 2.416 20 5 EDBDRO O=C(NCC1CC[NH2+]CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000591290400 448308981 /nfs/dbraw/zinc/30/89/81/448308981.db2.gz DFPMNIIRNFHXAO-UHFFFAOYSA-N 1 0 340.767 1.303 20 5 EDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000591291864 448308991 /nfs/dbraw/zinc/30/89/91/448308991.db2.gz CSLKEAWGKCRTPY-VIFPVBQESA-N 1 0 340.767 1.445 20 5 EDBDRO O=C(NC[C@H]1CCCC[NH2+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000591358798 448342281 /nfs/dbraw/zinc/34/22/81/448342281.db2.gz FUPMQSGHXZVXBZ-CQSZACIVSA-N 1 0 347.419 1.569 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591346274 448333427 /nfs/dbraw/zinc/33/34/27/448333427.db2.gz DUFHYTWKECFCIK-BXUZGUMPSA-N 1 0 334.376 1.497 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000591469631 448373676 /nfs/dbraw/zinc/37/36/76/448373676.db2.gz JQEIGDLJFYTUBC-LLVKDONJSA-N 1 0 343.405 1.318 20 5 EDBDRO [NH3+]C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC12CCOCC2 ZINC000516066027 448375750 /nfs/dbraw/zinc/37/57/50/448375750.db2.gz FRUUNMOGAZDOGX-LBPRGKRZSA-N 1 0 346.387 1.923 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000577952323 448424490 /nfs/dbraw/zinc/42/44/90/448424490.db2.gz DBQMDUKOSXAVQM-SFYZADRCSA-N 1 0 335.357 1.147 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000516554046 448436928 /nfs/dbraw/zinc/43/69/28/448436928.db2.gz MQBIYLQPDZPRGB-KCPJHIHWSA-N 1 0 334.376 1.352 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2ccc3ccccc3n2)c1 ZINC000591728964 448475147 /nfs/dbraw/zinc/47/51/47/448475147.db2.gz LCCMDMIEKUNPDF-INIZCTEOSA-N 1 0 341.371 1.533 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000591734445 448475915 /nfs/dbraw/zinc/47/59/15/448475915.db2.gz YMXQMAQOZCSYJE-ZACQAIPSSA-N 1 0 346.387 1.662 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CCC(OC(F)F)CC2)c1 ZINC000591770462 448486711 /nfs/dbraw/zinc/48/67/11/448486711.db2.gz KDXYEQZESYGQHG-ZYXZCXLHSA-N 1 0 334.323 1.292 20 5 EDBDRO CC[N@@H+]1CCCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000572946106 448501177 /nfs/dbraw/zinc/50/11/77/448501177.db2.gz CGVJYIVTKLMRRH-UHFFFAOYSA-N 1 0 348.447 1.959 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000537940613 448574562 /nfs/dbraw/zinc/57/45/62/448574562.db2.gz QJWIVUDVZDSXLV-GHMZBOCLSA-N 1 0 343.405 1.335 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000573372716 448611285 /nfs/dbraw/zinc/61/12/85/448611285.db2.gz WOTJJZSTKWHDQF-LBPRGKRZSA-N 1 0 347.371 1.785 20 5 EDBDRO C[NH+]1CCC2(CC1)CN(c1ncc(Cl)cc1[N+](=O)[O-])CCO2 ZINC000591992155 448613943 /nfs/dbraw/zinc/61/39/43/448613943.db2.gz PISMKCFYIQPRFD-UHFFFAOYSA-N 1 0 326.784 1.944 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000540901323 448650822 /nfs/dbraw/zinc/65/08/22/448650822.db2.gz PLYHHMXWOJQNTQ-CABCVRRESA-N 1 0 328.372 1.761 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000592053934 448650910 /nfs/dbraw/zinc/65/09/10/448650910.db2.gz LQCHXURAAKXRMI-DOMZBBRYSA-N 1 0 339.417 1.482 20 5 EDBDRO COc1cc(C(=O)NC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000573891167 448736286 /nfs/dbraw/zinc/73/62/86/448736286.db2.gz BJEWHIIEOAKFND-SNVBAGLBSA-N 1 0 325.340 1.814 20 5 EDBDRO [NH3+][C@@H]1C[C@H]2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CCN2C1=O ZINC000579252683 448754347 /nfs/dbraw/zinc/75/43/47/448754347.db2.gz AHMNVTQQINTNLN-VHSXEESVSA-N 1 0 344.293 1.362 20 5 EDBDRO CC1([NH3+])CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000592379014 448811156 /nfs/dbraw/zinc/81/11/56/448811156.db2.gz JXFOSQLUBKVIAR-UHFFFAOYSA-N 1 0 333.797 1.750 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000592382217 448814731 /nfs/dbraw/zinc/81/47/31/448814731.db2.gz MKSALTVTDSNARS-QWHCGFSZSA-N 1 0 341.433 1.960 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592428805 448831535 /nfs/dbraw/zinc/83/15/35/448831535.db2.gz VOJXPKBVVIKDIH-LRDDRELGSA-N 1 0 345.403 1.543 20 5 EDBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000592431292 448832764 /nfs/dbraw/zinc/83/27/64/448832764.db2.gz QHGHNNQARJRLHM-UFBFGSQYSA-N 1 0 335.282 1.825 20 5 EDBDRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000592434718 448835321 /nfs/dbraw/zinc/83/53/21/448835321.db2.gz NQGVMUNSDQZNEG-CYBMUJFWSA-N 1 0 327.768 1.585 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000592474804 448851249 /nfs/dbraw/zinc/85/12/49/448851249.db2.gz AHCJJMJDAQWXRK-RNCFNFMXSA-N 1 0 342.783 1.235 20 5 EDBDRO CC(C)[C@@H]([NH3+])CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592471083 448852091 /nfs/dbraw/zinc/85/20/91/448852091.db2.gz UCVFPUUIKZVZID-AWEZNQCLSA-N 1 0 334.420 1.911 20 5 EDBDRO CC(C)[C@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[NH2+]1 ZINC000592484583 448856215 /nfs/dbraw/zinc/85/62/15/448856215.db2.gz FKQBAHNDODIFQK-CVEARBPZSA-N 1 0 332.404 1.630 20 5 EDBDRO CCc1cc(N[C@H](CO)C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000589101780 448968699 /nfs/dbraw/zinc/96/86/99/448968699.db2.gz KTLUJIVXBDHJCE-AWEZNQCLSA-N 1 0 345.403 1.371 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000589296767 449004276 /nfs/dbraw/zinc/00/42/76/449004276.db2.gz LGJUNMBGEHJIGB-LLVKDONJSA-N 1 0 345.421 1.610 20 5 EDBDRO [NH3+][C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@H]1c1ccccc1 ZINC000521872930 449021716 /nfs/dbraw/zinc/02/17/16/449021716.db2.gz OXKMHNSYQVPJNG-UONOGXRCSA-N 1 0 328.328 1.262 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c1 ZINC000589503257 449026626 /nfs/dbraw/zinc/02/66/26/449026626.db2.gz LVLHHLTXEPDFSR-NSHDSACASA-N 1 0 335.360 1.469 20 5 EDBDRO CN(C(=O)C[N@@H+]1CC[C@H](Cn2ccnn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595606576 449075436 /nfs/dbraw/zinc/07/54/36/449075436.db2.gz IMTSHNRYEPZWKB-ZDUSSCGKSA-N 1 0 344.375 1.171 20 5 EDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595609277 449078352 /nfs/dbraw/zinc/07/83/52/449078352.db2.gz XQMAKJPKQIJKAX-CHWSQXEVSA-N 1 0 344.375 1.535 20 5 EDBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548387531 449037151 /nfs/dbraw/zinc/03/71/51/449037151.db2.gz KYUUKPDDGVZGHE-STQMWFEESA-N 1 0 349.435 2.060 20 5 EDBDRO Cc1ccc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000592899511 449043479 /nfs/dbraw/zinc/04/34/79/449043479.db2.gz UTZCIHSVKRNUKZ-UHFFFAOYSA-N 1 0 333.388 1.840 20 5 EDBDRO Nc1nccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000569588800 449051998 /nfs/dbraw/zinc/05/19/98/449051998.db2.gz FMJFWMBWPSGWOX-UHFFFAOYSA-N 1 0 333.392 1.709 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000597858513 449126782 /nfs/dbraw/zinc/12/67/82/449126782.db2.gz MHKDBQMRUPUNFY-JTQLQIEISA-N 1 0 335.360 1.926 20 5 EDBDRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000597878817 449132208 /nfs/dbraw/zinc/13/22/08/449132208.db2.gz WBDQWNPWRRKMGB-UHFFFAOYSA-N 1 0 336.392 1.544 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000590012333 449096683 /nfs/dbraw/zinc/09/66/83/449096683.db2.gz RDVYURBWYKIDIO-YGRLFVJLSA-N 1 0 338.795 1.823 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000599901290 449105402 /nfs/dbraw/zinc/10/54/02/449105402.db2.gz ZOYBHDVMSBKUAI-QWHCGFSZSA-N 1 0 334.376 1.352 20 5 EDBDRO [NH3+]CCCOCCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599916413 449107603 /nfs/dbraw/zinc/10/76/03/449107603.db2.gz BGANDLQAHWUXMA-UHFFFAOYSA-N 1 0 344.799 1.455 20 5 EDBDRO CC(C)C[N@H+](C)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000593617190 449111380 /nfs/dbraw/zinc/11/13/80/449111380.db2.gz YGFPEPOUAQDORD-UHFFFAOYSA-N 1 0 335.451 1.913 20 5 EDBDRO C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1CCO ZINC000595691516 449121154 /nfs/dbraw/zinc/12/11/54/449121154.db2.gz BXGOSMFXOODHFM-QLFBSQMISA-N 1 0 338.404 1.817 20 5 EDBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000595779265 449160337 /nfs/dbraw/zinc/16/03/37/449160337.db2.gz BNGZAQFOTQSIOT-CABCVRRESA-N 1 0 349.387 1.825 20 5 EDBDRO CC[N@@H+]1CCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611087831 449164849 /nfs/dbraw/zinc/16/48/49/449164849.db2.gz MYGKPLMKPGXQEX-OLZOCXBDSA-N 1 0 348.403 1.266 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000595785585 449164945 /nfs/dbraw/zinc/16/49/45/449164945.db2.gz XNNMSWUDQKBMKI-KGLIPLIRSA-N 1 0 335.360 1.435 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)NCCC2(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000593731082 449165728 /nfs/dbraw/zinc/16/57/28/449165728.db2.gz QPFOLSAKVYVNAE-UHFFFAOYSA-N 1 0 347.368 1.150 20 5 EDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CCCC[N@H+]1CCO ZINC000593732625 449167623 /nfs/dbraw/zinc/16/76/23/449167623.db2.gz PLYLXIIBSRFWLJ-CQSZACIVSA-N 1 0 339.367 1.239 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000593732982 449168028 /nfs/dbraw/zinc/16/80/28/449168028.db2.gz RZOKKHCIQNTPSV-UHFFFAOYSA-N 1 0 327.406 1.571 20 5 EDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@]1(O)CCOC1 ZINC000593671784 449142277 /nfs/dbraw/zinc/14/22/77/449142277.db2.gz TZTSMRRNHNLYNB-LRDDRELGSA-N 1 0 337.376 1.443 20 5 EDBDRO COc1cc(C[NH2+]CC[C@]2(O)CCCOC2)c([N+](=O)[O-])cc1OC ZINC000593690960 449149263 /nfs/dbraw/zinc/14/92/63/449149263.db2.gz DFXHYTSSLKSULT-MRXNPFEDSA-N 1 0 340.376 1.633 20 5 EDBDRO Cc1c(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000590402482 449149819 /nfs/dbraw/zinc/14/98/19/449149819.db2.gz UVVAYQJCOPDOKL-HZPDHXFCSA-N 1 0 333.388 1.838 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593736990 449172510 /nfs/dbraw/zinc/17/25/10/449172510.db2.gz PPAOYLFXAGBBPZ-GUYCJALGSA-N 1 0 332.404 1.903 20 5 EDBDRO CN(CCC[NH+](C)C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000597989853 449175017 /nfs/dbraw/zinc/17/50/17/449175017.db2.gz KQOFLVOGTQUQBH-UHFFFAOYSA-N 1 0 348.403 1.954 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c1C ZINC000590589870 449205106 /nfs/dbraw/zinc/20/51/06/449205106.db2.gz RUCBWKMKKGKVBA-CHWSQXEVSA-N 1 0 341.433 1.925 20 5 EDBDRO O=[N+]([O-])c1cccc(OCCN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595866840 449218870 /nfs/dbraw/zinc/21/88/70/449218870.db2.gz MJYBAVRWKWKPDF-INIZCTEOSA-N 1 0 335.404 1.505 20 5 EDBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)Nc3ccncc3[N+](=O)[O-])C2)C1 ZINC000593762563 449185569 /nfs/dbraw/zinc/18/55/69/449185569.db2.gz BCPGIMPXSKZMPQ-LALPHHSUSA-N 1 0 349.391 1.162 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([NH+]2CCOCC2)CC1 ZINC000600104964 449191810 /nfs/dbraw/zinc/19/18/10/449191810.db2.gz DLDOGOWCCULYSV-UHFFFAOYSA-N 1 0 333.388 1.461 20 5 EDBDRO CN(c1ccccc1)[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595829144 449192084 /nfs/dbraw/zinc/19/20/84/449192084.db2.gz WWANDUPMLVFZCQ-WBVHZDCISA-N 1 0 345.403 1.363 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CCC([NH3+])CC2)c1 ZINC000593899650 449272344 /nfs/dbraw/zinc/27/23/44/449272344.db2.gz GHQJWFLFLHEOJL-UHFFFAOYSA-N 1 0 343.387 1.711 20 5 EDBDRO COC[C@](C)(O)CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590654875 449232879 /nfs/dbraw/zinc/23/28/79/449232879.db2.gz SVSKPKOKUJPLPS-OAHLLOKOSA-N 1 0 326.349 1.243 20 5 EDBDRO O=C(NCC12CC(C1)C[NH2+]2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000595946598 449272759 /nfs/dbraw/zinc/27/27/59/449272759.db2.gz LLLYHPHCUIFYGT-UHFFFAOYSA-N 1 0 327.344 1.262 20 5 EDBDRO COc1ccc(NC(=O)[C@@H](C)N2CC3CC2(C[NH3+])C3)c([N+](=O)[O-])c1 ZINC000595907395 449246707 /nfs/dbraw/zinc/24/67/07/449246707.db2.gz BCPKBSXZFBLJOF-VHTNMKBUSA-N 1 0 334.376 1.354 20 5 EDBDRO COc1ccc(OCCN(C)[C@H](C[NH3+])C(F)(F)F)c([N+](=O)[O-])c1 ZINC000595909183 449247184 /nfs/dbraw/zinc/24/71/84/449247184.db2.gz QECAPIMHXSOXJY-GFCCVEGCSA-N 1 0 337.298 1.804 20 5 EDBDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611287582 449250483 /nfs/dbraw/zinc/25/04/83/449250483.db2.gz KBGWVEVCQILZES-CYBMUJFWSA-N 1 0 349.387 1.666 20 5 EDBDRO O=C(N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000601973918 449256336 /nfs/dbraw/zinc/25/63/36/449256336.db2.gz JMTPIFLUWXIUFP-LRDDRELGSA-N 1 0 333.392 1.345 20 5 EDBDRO C[C@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1CC[NH3+] ZINC000593933798 449295960 /nfs/dbraw/zinc/29/59/60/449295960.db2.gz DWQHCVMPELYXOD-CMPLNLGQSA-N 1 0 335.360 1.913 20 5 EDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000595991383 449300405 /nfs/dbraw/zinc/30/04/05/449300405.db2.gz HUWSXSKIWSCLGP-YMTOWFKASA-N 1 0 327.768 1.884 20 5 EDBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593911120 449280201 /nfs/dbraw/zinc/28/02/01/449280201.db2.gz DECLNYXCTXMPHC-SQWLQELKSA-N 1 0 333.388 1.953 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593910668 449280563 /nfs/dbraw/zinc/28/05/63/449280563.db2.gz ASLHSUZAJUGHBC-ZENOOKHLSA-N 1 0 348.403 1.657 20 5 EDBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593912843 449282066 /nfs/dbraw/zinc/28/20/66/449282066.db2.gz RLRQDEUPIDVQFB-BFYDXBDKSA-N 1 0 347.415 1.882 20 5 EDBDRO Cn1c(C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1[N+](=O)[O-] ZINC000593912813 449282110 /nfs/dbraw/zinc/28/21/10/449282110.db2.gz QUPOVUKWPDZWLJ-SCRDCRAPSA-N 1 0 336.392 1.292 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593551251 449341651 /nfs/dbraw/zinc/34/16/51/449341651.db2.gz AYGQQMLLNRYCDI-LBPRGKRZSA-N 1 0 328.394 1.095 20 5 EDBDRO CS[C@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000593562637 449351834 /nfs/dbraw/zinc/35/18/34/449351834.db2.gz WBMOBFSVSSCFDJ-KBPBESRZSA-N 1 0 341.408 1.780 20 5 EDBDRO CC(C)(NC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000602112451 449354774 /nfs/dbraw/zinc/35/47/74/449354774.db2.gz HULLVSNRSZKDLF-LSDHHAIUSA-N 1 0 333.388 1.809 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCC[NH+]1CCC(O)CC1 ZINC000596084572 449355048 /nfs/dbraw/zinc/35/50/48/449355048.db2.gz CAHAYLQFROUISP-UHFFFAOYSA-N 1 0 336.392 1.213 20 5 EDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000596099017 449360413 /nfs/dbraw/zinc/36/04/13/449360413.db2.gz WRUUQPMSGKKGAD-NSHDSACASA-N 1 0 337.401 1.276 20 5 EDBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593536673 449332279 /nfs/dbraw/zinc/33/22/79/449332279.db2.gz GKMGWNRMDTXROZ-UHFFFAOYSA-N 1 0 342.421 1.485 20 5 EDBDRO CC[C@@H](C(=O)N[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000600540242 449431317 /nfs/dbraw/zinc/43/13/17/449431317.db2.gz FYGHEVHXXUCQIP-BBRMVZONSA-N 1 0 337.376 1.439 20 5 EDBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596236987 449432190 /nfs/dbraw/zinc/43/21/90/449432190.db2.gz UPNMHYHUBWVBGK-LLVKDONJSA-N 1 0 344.437 1.775 20 5 EDBDRO COC1CC[NH+](CCNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611705656 449389043 /nfs/dbraw/zinc/38/90/43/449389043.db2.gz ALEKZVIJVHUVLS-UHFFFAOYSA-N 1 0 331.376 2.061 20 5 EDBDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000598536619 449453433 /nfs/dbraw/zinc/45/34/33/449453433.db2.gz UMZDRXBKZMGZMU-AWEZNQCLSA-N 1 0 348.403 1.705 20 5 EDBDRO CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000600662259 449478659 /nfs/dbraw/zinc/47/86/59/449478659.db2.gz IIAPZWWPCBPKBB-VHDGCEQUSA-N 1 0 336.392 1.637 20 5 EDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598665545 449527926 /nfs/dbraw/zinc/52/79/26/449527926.db2.gz QOLSTJPEZYTAFP-ZDUSSCGKSA-N 1 0 349.391 1.221 20 5 EDBDRO [NH3+][C@@]12CCC[C@H]1CN(Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C2 ZINC000598680737 449538164 /nfs/dbraw/zinc/53/81/64/449538164.db2.gz CKLHEEHAXYCXSS-BLLLJJGKSA-N 1 0 329.360 1.958 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598681628 449539159 /nfs/dbraw/zinc/53/91/59/449539159.db2.gz IKMOBQBZECBQNQ-PRXAMGSTSA-N 1 0 348.403 1.744 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(N[C@@H]3CC[N@@H+](C4CCCCC4)C3)nn21 ZINC000596480942 449523070 /nfs/dbraw/zinc/52/30/70/449523070.db2.gz VCHFZYDRKOKUJK-GFCCVEGCSA-N 1 0 330.392 2.456 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC1([NH2+]C)CCC1 ZINC000600826035 449567701 /nfs/dbraw/zinc/56/77/01/449567701.db2.gz WZCDNBJOZVJDKP-LLVKDONJSA-N 1 0 338.412 1.086 20 5 EDBDRO CC(C)[NH2+][C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000612098807 449561389 /nfs/dbraw/zinc/56/13/89/449561389.db2.gz ITVFLUOCQHXWNT-HUUCEWRRSA-N 1 0 337.420 1.797 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCCC2CC[NH2+]CC2)c(C)c1[N+](=O)[O-] ZINC000598721793 449562833 /nfs/dbraw/zinc/56/28/33/449562833.db2.gz ZSUIYNMNYZFINV-UHFFFAOYSA-N 1 0 341.433 1.880 20 5 EDBDRO CC(C)(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000602474804 449619187 /nfs/dbraw/zinc/61/91/87/449619187.db2.gz SHAHKDDHISWDCB-AWEZNQCLSA-N 1 0 349.435 1.587 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000600974073 449627702 /nfs/dbraw/zinc/62/77/02/449627702.db2.gz VBIZSOONQAHXEO-LBPRGKRZSA-N 1 0 331.376 1.785 20 5 EDBDRO O=C(N1CCOC2(C[NH2+]C2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602531461 449654579 /nfs/dbraw/zinc/65/45/79/449654579.db2.gz WALIHESSBDMSRZ-UHFFFAOYSA-N 1 0 331.372 1.217 20 5 EDBDRO Cc1cncc(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000594731951 449655544 /nfs/dbraw/zinc/65/55/44/449655544.db2.gz HORXIPUWWVMNOA-CQSZACIVSA-N 1 0 332.360 1.265 20 5 EDBDRO Cc1cncc(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000594733040 449656655 /nfs/dbraw/zinc/65/66/55/449656655.db2.gz PPIUXUAUUGUVNL-HNNXBMFYSA-N 1 0 332.360 1.265 20 5 EDBDRO CCC[NH+]1CCC(NS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594744482 449661716 /nfs/dbraw/zinc/66/17/16/449661716.db2.gz LWUUGQALGOBDAY-UHFFFAOYSA-N 1 0 328.394 1.143 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCN(C4CC4)C3)CC2)cn1 ZINC000602543632 449663674 /nfs/dbraw/zinc/66/36/74/449663674.db2.gz DQHKWLSEMPIQGX-AWEZNQCLSA-N 1 0 331.420 1.785 20 5 EDBDRO COCCC[NH+]1CCC(NC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601031282 449664086 /nfs/dbraw/zinc/66/40/86/449664086.db2.gz GWSDIRLYLWLIJL-UHFFFAOYSA-N 1 0 339.367 1.965 20 5 EDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000602549895 449667646 /nfs/dbraw/zinc/66/76/46/449667646.db2.gz FHBOVKCMUKBLTI-SNVBAGLBSA-N 1 0 325.390 1.425 20 5 EDBDRO C[C@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000594755083 449669539 /nfs/dbraw/zinc/66/95/39/449669539.db2.gz HYLMZCCPKDMKAF-GFCCVEGCSA-N 1 0 342.421 1.390 20 5 EDBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601114089 449696263 /nfs/dbraw/zinc/69/62/63/449696263.db2.gz VZCNHCGCLOAUIJ-CQSZACIVSA-N 1 0 337.399 1.735 20 5 EDBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601116063 449697898 /nfs/dbraw/zinc/69/78/98/449697898.db2.gz NKATXSSLNQMAON-UHFFFAOYSA-N 1 0 339.371 1.484 20 5 EDBDRO CC(C)(C)N1CC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000594791289 449701070 /nfs/dbraw/zinc/70/10/70/449701070.db2.gz NQVJWEVZWGMPDI-SECBINFHSA-N 1 0 333.435 1.807 20 5 EDBDRO CN(CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(F)F ZINC000599021912 449701243 /nfs/dbraw/zinc/70/12/43/449701243.db2.gz GGPFQKUFUBSXOP-UHFFFAOYSA-N 1 0 331.319 1.653 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c(C)cc1[N+](=O)[O-] ZINC000599106134 449737738 /nfs/dbraw/zinc/73/77/38/449737738.db2.gz SHDZSFYMNDAQRF-RYUDHWBXSA-N 1 0 327.406 1.630 20 5 EDBDRO C[C@@H]1CC[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[NH2+]1 ZINC000599102394 449733205 /nfs/dbraw/zinc/73/32/05/449733205.db2.gz FFEZEHCXWKMCSP-BDAKNGLRSA-N 1 0 333.797 1.667 20 5 EDBDRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602657544 449734366 /nfs/dbraw/zinc/73/43/66/449734366.db2.gz ZTVCLGCBURLWLA-OAHLLOKOSA-N 1 0 341.433 1.541 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599104829 449736479 /nfs/dbraw/zinc/73/64/79/449736479.db2.gz ONSCABHAISLLGP-PSASIEDQSA-N 1 0 347.824 1.975 20 5 EDBDRO CC[NH+]1CCN(C[C@@H](C)CNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601105838 449692166 /nfs/dbraw/zinc/69/21/66/449692166.db2.gz ODWPCFILGHSFIS-LBPRGKRZSA-N 1 0 325.388 1.814 20 5 EDBDRO C[NH+](C)C[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000601189077 449741100 /nfs/dbraw/zinc/74/11/00/449741100.db2.gz FICXPMIDEJOLLA-MRXNPFEDSA-N 1 0 347.415 1.806 20 5 EDBDRO COC(=O)[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000602712309 449763656 /nfs/dbraw/zinc/76/36/56/449763656.db2.gz MKQQMYCGLIUFSP-LSDHHAIUSA-N 1 0 344.371 1.717 20 5 EDBDRO CCN1CCC[C@@H](NS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601314101 449823708 /nfs/dbraw/zinc/82/37/08/449823708.db2.gz YRZKOTBXRMOJDE-SNVBAGLBSA-N 1 0 333.435 1.727 20 5 EDBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](C)S(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000594974468 449825449 /nfs/dbraw/zinc/82/54/49/449825449.db2.gz LUVHJKBSOXPBKO-JQWIXIFHSA-N 1 0 328.390 1.659 20 5 EDBDRO Cc1cccc(CC2C[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000612676859 449829337 /nfs/dbraw/zinc/82/93/37/449829337.db2.gz ILTICDWHGUCAQR-QGZVFWFLSA-N 1 0 330.388 1.635 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])s1 ZINC000601337579 449846310 /nfs/dbraw/zinc/84/63/10/449846310.db2.gz DIASVXXHDGAPPH-SNVBAGLBSA-N 1 0 331.419 1.480 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601328776 449837203 /nfs/dbraw/zinc/83/72/03/449837203.db2.gz YVMXRGFXXOUZNQ-NSHDSACASA-N 1 0 347.462 1.975 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000601345480 449856364 /nfs/dbraw/zinc/85/63/64/449856364.db2.gz UQQQPQGQQJYVMN-NSHDSACASA-N 1 0 345.396 1.615 20 5 EDBDRO COc1cc(C(=O)N2CCN(CCO)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000614895421 449863637 /nfs/dbraw/zinc/86/36/37/449863637.db2.gz SKQXQTCYHYDCDC-UHFFFAOYSA-N 1 0 337.376 1.132 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC[C@@H]1[NH3+] ZINC000595107199 449872092 /nfs/dbraw/zinc/87/20/92/449872092.db2.gz FFQJDIYLWWCYTP-STQMWFEESA-N 1 0 341.433 1.960 20 5 EDBDRO [NH3+]C1(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000595120135 449881124 /nfs/dbraw/zinc/88/11/24/449881124.db2.gz NXQZNNZLALAVLQ-UHFFFAOYSA-N 1 0 327.406 1.328 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC(C[NH+](C)C)C2)c1 ZINC000601423944 449942607 /nfs/dbraw/zinc/94/26/07/449942607.db2.gz RMEZKQNQGWXOAG-UHFFFAOYSA-N 1 0 327.406 1.394 20 5 EDBDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000602905689 449911184 /nfs/dbraw/zinc/91/11/84/449911184.db2.gz FYJYQQQKCHLENZ-HNNXBMFYSA-N 1 0 337.424 1.367 20 5 EDBDRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000599415441 449960908 /nfs/dbraw/zinc/96/09/08/449960908.db2.gz PAHSTAFJQWMOHV-NSHDSACASA-N 1 0 328.394 1.000 20 5 EDBDRO Cc1nn(CCC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000609135517 449964645 /nfs/dbraw/zinc/96/46/45/449964645.db2.gz OTOXDZOCGCSONU-AWEZNQCLSA-N 1 0 337.424 1.787 20 5 EDBDRO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NCCn3cc([N+](=O)[O-])cn3)cc21 ZINC000595251273 449975836 /nfs/dbraw/zinc/97/58/36/449975836.db2.gz SWDYCMSXAMMSJC-AWEZNQCLSA-N 1 0 343.387 1.600 20 5 EDBDRO O=C(C[NH2+][C@@H]1CCCn2nccc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000603030659 450024186 /nfs/dbraw/zinc/02/41/86/450024186.db2.gz UOOSZCSSRJGDNQ-CQSZACIVSA-N 1 0 341.371 1.805 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000610238334 450158272 /nfs/dbraw/zinc/15/82/72/450158272.db2.gz NXMURSSVLZQYLD-UHFFFAOYSA-N 1 0 326.356 1.881 20 5 EDBDRO O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595461885 450158690 /nfs/dbraw/zinc/15/86/90/450158690.db2.gz QKHSUJXOOVNXIA-BPLDGKMQSA-N 1 0 347.419 1.876 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000597694512 450202629 /nfs/dbraw/zinc/20/26/29/450202629.db2.gz KSPZWQPJNSQBDZ-LSDHHAIUSA-N 1 0 349.387 1.539 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000597694510 450203097 /nfs/dbraw/zinc/20/30/97/450203097.db2.gz KSPZWQPJNSQBDZ-GJZGRUSLSA-N 1 0 349.387 1.539 20 5 EDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)N1CCN(C)CC1 ZINC000615720663 450210718 /nfs/dbraw/zinc/21/07/18/450210718.db2.gz ISWKSBSQKJGWMN-UVTDQMKNSA-N 1 0 332.404 1.362 20 5 EDBDRO Cc1noc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c1[N+](=O)[O-] ZINC000595589380 450250439 /nfs/dbraw/zinc/25/04/39/450250439.db2.gz ZKRFAJRUJVOKLP-AWEZNQCLSA-N 1 0 325.365 1.549 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)nc2c1 ZINC000618584710 450252703 /nfs/dbraw/zinc/25/27/03/450252703.db2.gz HFPWOVDQBVEURB-CABCVRRESA-N 1 0 331.376 1.507 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2nnc3n2CCC3)n1 ZINC000616008107 450298212 /nfs/dbraw/zinc/29/82/12/450298212.db2.gz GSNWGFCUWPBUGK-VXGBXAGGSA-N 1 0 331.380 1.603 20 5 EDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000619846067 450345224 /nfs/dbraw/zinc/34/52/24/450345224.db2.gz HZNDCPJHKLYRCX-LMWSTFAQSA-N 1 0 341.433 1.586 20 5 EDBDRO CN1CCN(C(=O)C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000618983567 450361350 /nfs/dbraw/zinc/36/13/50/450361350.db2.gz XVYFPJSQYAURHZ-INIZCTEOSA-N 1 0 346.431 1.681 20 5 EDBDRO C[C@@H]1CCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000154953905 533719090 /nfs/dbraw/zinc/71/90/90/533719090.db2.gz XAOGFKZIRNDWBA-LLVKDONJSA-N 1 0 333.392 1.542 20 5 EDBDRO COc1cc(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184201764 533810464 /nfs/dbraw/zinc/81/04/64/533810464.db2.gz WMDZTVNIMGSJSS-VXGBXAGGSA-N 1 0 341.383 1.629 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000171708869 534058734 /nfs/dbraw/zinc/05/87/34/534058734.db2.gz JWSRMOPIEDDIGW-CYBMUJFWSA-N 1 0 335.408 1.030 20 5 EDBDRO CC(C)(C(=O)NCC1CC[NH+](CCO)CC1)c1ccccc1[N+](=O)[O-] ZINC000342972944 534325133 /nfs/dbraw/zinc/32/51/33/534325133.db2.gz AHBVGWNYJQODGW-UHFFFAOYSA-N 1 0 349.431 1.693 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc([N+](=O)[O-])c1OC ZINC000269300212 536504406 /nfs/dbraw/zinc/50/44/06/536504406.db2.gz XEXXHSYXWONPTK-CMPLNLGQSA-N 1 0 337.376 1.859 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000174019910 527821973 /nfs/dbraw/zinc/82/19/73/527821973.db2.gz ZKYSYOCVCZMCFB-LBPRGKRZSA-N 1 0 327.406 1.557 20 5 EDBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000173988839 528259638 /nfs/dbraw/zinc/25/96/38/528259638.db2.gz URMOPFVCPWKVOB-SNVBAGLBSA-N 1 0 333.435 1.761 20 5 EDBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000193276184 534938733 /nfs/dbraw/zinc/93/87/33/534938733.db2.gz QMHSSGIKGXFRJK-UHFFFAOYSA-N 1 0 349.384 1.538 20 5 EDBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000237052661 535461320 /nfs/dbraw/zinc/46/13/20/535461320.db2.gz SUQNWJPRGRZMND-UHFFFAOYSA-N 1 0 341.433 1.913 20 5 EDBDRO CC[NH+](CC)CCN(CCOC)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000192743952 535525988 /nfs/dbraw/zinc/52/59/88/535525988.db2.gz DTFVVMMNIRDPFK-UHFFFAOYSA-N 1 0 336.396 1.432 20 5 EDBDRO C[NH2+][C@H](C)CNC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000261822039 536392521 /nfs/dbraw/zinc/39/25/21/536392521.db2.gz ULSOFFCDTHIWID-SNVBAGLBSA-N 1 0 327.406 1.561 20 5 EDBDRO CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000347908505 536783017 /nfs/dbraw/zinc/78/30/17/536783017.db2.gz WMLIGLKZSQKLGZ-UONOGXRCSA-N 1 0 348.403 1.383 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000741725727 579426150 /nfs/dbraw/zinc/42/61/50/579426150.db2.gz SIWRMNAWNGYFIG-WCQYABFASA-N 1 0 335.360 1.385 20 5 EDBDRO C[NH+](C)CC1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000742393987 579450776 /nfs/dbraw/zinc/45/07/76/579450776.db2.gz YCBDZRXRLOXODX-UHFFFAOYSA-N 1 0 342.421 1.020 20 5 EDBDRO C[NH+](C)CC(C)(C)CNC(=S)NNc1ccccc1[N+](=O)[O-] ZINC000727066066 578512766 /nfs/dbraw/zinc/51/27/66/578512766.db2.gz SCTIZAFNFUIGBN-UHFFFAOYSA-N 1 0 325.438 1.974 20 5 EDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000730083890 578613052 /nfs/dbraw/zinc/61/30/52/578613052.db2.gz ACEYVHXBDXVMMW-REEAJDFCSA-N 1 0 345.399 1.666 20 5 EDBDRO CNC(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000731678774 578678493 /nfs/dbraw/zinc/67/84/93/578678493.db2.gz PJIVYKMEYOHKOK-INIZCTEOSA-N 1 0 329.356 1.778 20 5 EDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000733168090 578745742 /nfs/dbraw/zinc/74/57/42/578745742.db2.gz REWXUAKIKHAGII-ZDUSSCGKSA-N 1 0 346.391 1.492 20 5 EDBDRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000735962321 578943114 /nfs/dbraw/zinc/94/31/14/578943114.db2.gz HBNOXTVUZYDNMX-UHFFFAOYSA-N 1 0 339.348 1.334 20 5 EDBDRO CCOC(=O)c1ccnc(N2CCC[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000737399661 579085034 /nfs/dbraw/zinc/08/50/34/579085034.db2.gz QFIZBUCSAOOTPC-LBPRGKRZSA-N 1 0 336.392 1.945 20 5 EDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000744348267 579508032 /nfs/dbraw/zinc/50/80/32/579508032.db2.gz GENHALZTWGZLKF-GFCCVEGCSA-N 1 0 344.375 1.390 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000749446537 579727024 /nfs/dbraw/zinc/72/70/24/579727024.db2.gz NZCVIQOMHCFNAV-ZIAGYGMSSA-N 1 0 345.403 1.934 20 5 EDBDRO CC[N@@H+]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000754224644 579898806 /nfs/dbraw/zinc/89/88/06/579898806.db2.gz MQCVUNFPINPBGB-LBPRGKRZSA-N 1 0 335.360 1.339 20 5 EDBDRO CC(C)CN1CCO[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000754250431 579899358 /nfs/dbraw/zinc/89/93/58/579899358.db2.gz HPLUTTVNVIWLKO-IAGOWNOFSA-N 1 0 337.420 1.575 20 5 EDBDRO CN(C(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000778269587 580460335 /nfs/dbraw/zinc/46/03/35/580460335.db2.gz NVWZKWFFIXVZLK-CYBMUJFWSA-N 1 0 347.400 1.766 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1 ZINC000776589466 580422837 /nfs/dbraw/zinc/42/28/37/580422837.db2.gz SLQINZMTYBAREK-DLBZAZTESA-N 1 0 335.404 1.425 20 5 EDBDRO C[NH+](C)CCCOC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000787584823 580698578 /nfs/dbraw/zinc/69/85/78/580698578.db2.gz LHKMSSNOFMOECO-UHFFFAOYSA-N 1 0 343.767 1.473 20 5 EDBDRO C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000893075668 590649501 /nfs/dbraw/zinc/64/95/01/590649501.db2.gz DBWQKKRDEFCZHP-HFTRVMKXSA-N 1 0 348.399 1.734 20 5 EDBDRO COc1c(O)ccc(C[NH2+][C@@H](C)[C@@H]2CN(C)CCO2)c1[N+](=O)[O-] ZINC000893142403 590679967 /nfs/dbraw/zinc/67/99/67/590679967.db2.gz AONPVTNQTOGIOP-GWCFXTLKSA-N 1 0 325.365 1.118 20 5 EDBDRO COCCN1CCC[C@H]1C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892866573 591207970 /nfs/dbraw/zinc/20/79/70/591207970.db2.gz RUOGPPTYCJHLAJ-ZDUSSCGKSA-N 1 0 339.392 1.509 20 5 EDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(CCF)C1 ZINC000898485157 591372119 /nfs/dbraw/zinc/37/21/19/591372119.db2.gz BIUBRBAFGCCJCK-ZDUSSCGKSA-N 1 0 338.383 1.947 20 5 EDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CCOCC2)CC1 ZINC000898626802 591449196 /nfs/dbraw/zinc/44/91/96/591449196.db2.gz OVZYAPSKJJCQRQ-UHFFFAOYSA-N 1 0 347.415 1.897 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000898842558 591559696 /nfs/dbraw/zinc/55/96/96/591559696.db2.gz WCRKAMMTBTVQFG-STQMWFEESA-N 1 0 335.408 1.479 20 5 EDBDRO COc1cc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(F)cc1[N+](=O)[O-] ZINC000897221080 591775401 /nfs/dbraw/zinc/77/54/01/591775401.db2.gz GVRZZYXWOZUGPH-STQMWFEESA-N 1 0 339.367 1.778 20 5 EDBDRO CC1(C)C[NH2+]C[C@H]1Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000900424373 592014607 /nfs/dbraw/zinc/01/46/07/592014607.db2.gz JLWAFOBZLWBOMB-MRXNPFEDSA-N 1 0 334.420 1.837 20 5 EDBDRO COC[C@H]1C[NH2+]CCN1c1c2ccc(OC)cc2ncc1[N+](=O)[O-] ZINC000900451902 592021266 /nfs/dbraw/zinc/02/12/66/592021266.db2.gz ZWZBUKDGFAIMAA-LLVKDONJSA-N 1 0 332.360 1.576 20 5 EDBDRO C[N@@H+]1C[C@@H]2CN(Cn3cc([N+](=O)[O-])c(-c4ccccn4)n3)C[C@]2(C)C1 ZINC000902616445 592027021 /nfs/dbraw/zinc/02/70/21/592027021.db2.gz FMZQAHDDTXJEAY-DYVFJYSZSA-N 1 0 342.403 1.694 20 5 EDBDRO CO[C@@]1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CCS(=O)(=O)C1 ZINC000903369436 592161869 /nfs/dbraw/zinc/16/18/69/592161869.db2.gz XHNNJNDEVXJPMU-IUODEOHRSA-N 1 0 342.417 1.758 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1CCc1nc(N2CC[NH2+]CC2)no1 ZINC000904740559 592320383 /nfs/dbraw/zinc/32/03/83/592320383.db2.gz KOJAQQLQFZADPB-UHFFFAOYSA-N 1 0 337.767 1.826 20 5 EDBDRO O=C(NCCC[NH2+]CC[N+](=O)[O-])c1cccc(Br)c1 ZINC000905078010 592387162 /nfs/dbraw/zinc/38/71/62/592387162.db2.gz BFCRFHZAKDZNLT-UHFFFAOYSA-N 1 0 330.182 1.435 20 5 EDBDRO O=[N+]([O-])CC[NH2+]CCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 ZINC000905190110 592445650 /nfs/dbraw/zinc/44/56/50/592445650.db2.gz WQOIOCXEYYYTHJ-UHFFFAOYSA-N 1 0 345.396 1.235 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3[N+](=O)[O-])OCCCO4)[C@@H]2C1 ZINC000908346731 592455075 /nfs/dbraw/zinc/45/50/75/592455075.db2.gz HTYUNCMBMSSOML-WCQYABFASA-N 1 0 347.371 1.532 20 5 EDBDRO C[C@H]1[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000905541934 592557183 /nfs/dbraw/zinc/55/71/83/592557183.db2.gz SKKRYTXLZWFMNB-SMDDNHRTSA-N 1 0 327.406 1.051 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000905646762 592603965 /nfs/dbraw/zinc/60/39/65/592603965.db2.gz AHBWJJZEMTZQLK-IIAWOOMASA-N 1 0 336.388 1.882 20 5 EDBDRO CCN(c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000905674137 592608371 /nfs/dbraw/zinc/60/83/71/592608371.db2.gz JDFWBLQGBVBTDC-VIFPVBQESA-N 1 0 349.359 1.779 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000905702945 592616187 /nfs/dbraw/zinc/61/61/87/592616187.db2.gz FNZRAGBZKYQQMJ-UHFFFAOYSA-N 1 0 330.392 1.346 20 5 EDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc4ccccc4c([N+](=O)[O-])c3N)C[C@H]2C1 ZINC000907803931 592788563 /nfs/dbraw/zinc/78/85/63/592788563.db2.gz OLDWTCBAPMFWHP-BETUJISGSA-N 1 0 340.383 1.964 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000912149997 593066103 /nfs/dbraw/zinc/06/61/03/593066103.db2.gz HTPLLUFCSUUMAE-CMPLNLGQSA-N 1 0 327.768 1.570 20 5 EDBDRO CC(C)C[NH2+]C1(CO)CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000912588102 593106622 /nfs/dbraw/zinc/10/66/22/593106622.db2.gz IKGXEJHQGBIHAC-UHFFFAOYSA-N 1 0 349.431 1.736 20 5 EDBDRO COC[C@@H]1CCN1CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000840083146 593142485 /nfs/dbraw/zinc/14/24/85/593142485.db2.gz MZEWKSZYIUMXLJ-XJKSGUPXSA-N 1 0 348.359 1.040 20 5 EDBDRO CC(=O)NCC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000805821971 593148431 /nfs/dbraw/zinc/14/84/31/593148431.db2.gz HINDTUOYSFXABY-RHSMWYFYSA-N 1 0 335.404 1.866 20 5 EDBDRO CO[C@@H]1CCCN(CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000839988358 593298696 /nfs/dbraw/zinc/29/86/96/593298696.db2.gz NNJHTAAPGZIYQA-GDBMZVCRSA-N 1 0 335.360 1.600 20 5 EDBDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000839519480 593309920 /nfs/dbraw/zinc/30/99/20/593309920.db2.gz BUGULGLCQOYSAZ-BQGCOEIASA-N 1 0 347.415 1.577 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000839607262 593348881 /nfs/dbraw/zinc/34/88/81/593348881.db2.gz VKEFTHYONNPBLK-QMTHXVAHSA-N 1 0 338.795 1.823 20 5 EDBDRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000809916326 593372382 /nfs/dbraw/zinc/37/23/82/593372382.db2.gz ZHHVCEMNNMISIK-ZDUSSCGKSA-N 1 0 328.756 1.436 20 5 EDBDRO CS(=O)(=O)CC1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819130625 593740597 /nfs/dbraw/zinc/74/05/97/593740597.db2.gz CZEKJTDPSAYDDT-CYBMUJFWSA-N 1 0 328.390 1.043 20 5 EDBDRO C[C@@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000820666712 593857577 /nfs/dbraw/zinc/85/75/77/593857577.db2.gz JDTFTTXEPJYQLU-KOLCDFICSA-N 1 0 329.364 1.812 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820750315 593879191 /nfs/dbraw/zinc/87/91/91/593879191.db2.gz ATOLSXOJALAEEQ-XPTSAGLGSA-N 1 0 329.364 1.670 20 5 EDBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000820753567 593882225 /nfs/dbraw/zinc/88/22/25/593882225.db2.gz ZHSIVCHFSHWZGA-SKDRFNHKSA-N 1 0 332.368 1.311 20 5 EDBDRO C[NH+]1CCC(CCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821621851 593883968 /nfs/dbraw/zinc/88/39/68/593883968.db2.gz IPYLUFAFPAOXMQ-UHFFFAOYSA-N 1 0 332.368 1.314 20 5 EDBDRO Nc1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000823921534 593888472 /nfs/dbraw/zinc/88/84/72/593888472.db2.gz XGLDPZBIIFKKKC-CYBMUJFWSA-N 1 0 349.391 1.552 20 5 EDBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000821057155 593955498 /nfs/dbraw/zinc/95/54/98/593955498.db2.gz MVDNKFKVAPRJNV-HYVNUMGLSA-N 1 0 347.415 1.661 20 5 EDBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821088822 593963224 /nfs/dbraw/zinc/96/32/24/593963224.db2.gz XQFOLQXUVHCVJK-GFCCVEGCSA-N 1 0 345.407 1.943 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821268126 594003822 /nfs/dbraw/zinc/00/38/22/594003822.db2.gz UDFQYDIVDFBQOI-GFCCVEGCSA-N 1 0 331.380 1.695 20 5 EDBDRO COC[C@@]1(c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)CC[NH2+]C1 ZINC000822862044 594112805 /nfs/dbraw/zinc/11/28/05/594112805.db2.gz GZTFSCXADZFTPW-MRXNPFEDSA-N 1 0 348.359 1.455 20 5 EDBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000825279438 594160739 /nfs/dbraw/zinc/16/07/39/594160739.db2.gz QCWOOKPEJFJMPN-OCCSQVGLSA-N 1 0 332.404 1.807 20 5 EDBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000823309978 594183615 /nfs/dbraw/zinc/18/36/15/594183615.db2.gz FGRPJMOQUMNDTA-JTQLQIEISA-N 1 0 338.339 1.516 20 5 EDBDRO C[NH+](C)[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2F)CCSC1 ZINC000829626509 594227153 /nfs/dbraw/zinc/22/71/53/594227153.db2.gz OEOUXWNZEGZCEF-AWEZNQCLSA-N 1 0 327.381 1.901 20 5 EDBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1[NH+](C)C ZINC000826226568 594387066 /nfs/dbraw/zinc/38/70/66/594387066.db2.gz BRDGTIXFRJRTFJ-STQMWFEESA-N 1 0 349.420 1.257 20 5 EDBDRO COCC[N@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])c3nonc32)C[C@@H]1C ZINC000826629437 594543148 /nfs/dbraw/zinc/54/31/48/594543148.db2.gz RONJVDAOJFKNMG-PHIMTYICSA-N 1 0 335.364 1.676 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000826636385 594544531 /nfs/dbraw/zinc/54/45/31/594544531.db2.gz UHBIMGGKKMTHPX-OAHLLOKOSA-N 1 0 343.387 1.490 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000832125045 594728165 /nfs/dbraw/zinc/72/81/65/594728165.db2.gz YSCGBWKQLQZOTN-UHFFFAOYSA-N 1 0 342.827 1.862 20 5 EDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832400669 594747680 /nfs/dbraw/zinc/74/76/80/594747680.db2.gz MPMYTRKKUMGDQN-KCXAZCMYSA-N 1 0 333.388 1.713 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000841011327 594838730 /nfs/dbraw/zinc/83/87/30/594838730.db2.gz NGZGMLDTLFCAGC-SNVBAGLBSA-N 1 0 328.756 1.830 20 5 EDBDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841161826 594860937 /nfs/dbraw/zinc/86/09/37/594860937.db2.gz VHCSMVGBWOLSJF-QMMMGPOBSA-N 1 0 326.740 1.007 20 5 EDBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000845672310 595041456 /nfs/dbraw/zinc/04/14/56/595041456.db2.gz OSOJWVYTCXCTOI-ZDUSSCGKSA-N 1 0 349.387 1.742 20 5 EDBDRO C[C@@]1(c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)CC[NH2+]C1 ZINC000843224210 595043752 /nfs/dbraw/zinc/04/37/52/595043752.db2.gz LQTGMWBJWMXFDV-MRXNPFEDSA-N 1 0 345.359 1.088 20 5 EDBDRO C[C@@H]1[C@H](COC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000845811264 595070715 /nfs/dbraw/zinc/07/07/15/595070715.db2.gz SBHVEPWYNMANDA-OCCSQVGLSA-N 1 0 349.387 1.598 20 5 EDBDRO COc1ccc([C@@H]2[C@H](COC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[N@@H+]2C)cc1 ZINC000842305695 595072736 /nfs/dbraw/zinc/07/27/36/595072736.db2.gz AGVYEJNWVZPWQG-LCGIIJARSA-N 1 0 334.372 1.896 20 5 EDBDRO C[NH2+]C[C@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843349402 595082849 /nfs/dbraw/zinc/08/28/49/595082849.db2.gz YKVGVOXSCXMLOQ-SNVBAGLBSA-N 1 0 326.784 1.728 20 5 EDBDRO C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000843351991 595083441 /nfs/dbraw/zinc/08/34/41/595083441.db2.gz OGBNIRIRRZZJLW-NXEZZACHSA-N 1 0 326.784 1.869 20 5 EDBDRO C[NH2+]C[C@@H](C)c1noc(-c2cccc([N+](=O)[O-])c2N2CCOCC2)n1 ZINC000842580628 595131898 /nfs/dbraw/zinc/13/18/98/595131898.db2.gz HFXXMOGPBBALRF-LLVKDONJSA-N 1 0 347.375 1.804 20 5 EDBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000842683955 595169509 /nfs/dbraw/zinc/16/95/09/595169509.db2.gz ULQXDYLIZJRQES-SECBINFHSA-N 1 0 333.797 1.539 20 5 EDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000843755900 595179083 /nfs/dbraw/zinc/17/90/83/595179083.db2.gz SEJOPKCCECZJNY-UHFFFAOYSA-N 1 0 338.383 1.362 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000842788998 595199426 /nfs/dbraw/zinc/19/94/26/595199426.db2.gz NZCYCASATQCOMC-NXEZZACHSA-N 1 0 347.824 1.914 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000842794141 595201301 /nfs/dbraw/zinc/20/13/01/595201301.db2.gz OPMWWGFPGPZIFX-BDAKNGLRSA-N 1 0 333.797 1.606 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCCc3c2cnn3CCO)c1 ZINC000843066310 595279006 /nfs/dbraw/zinc/27/90/06/595279006.db2.gz UTCOUWUZAXVLFV-WBVHZDCISA-N 1 0 346.387 1.484 20 5 EDBDRO Cc1ccc([C@H](O)C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000843084957 595283349 /nfs/dbraw/zinc/28/33/49/595283349.db2.gz DYDAWMVMNRMGFC-UKRRQHHQSA-N 1 0 336.344 1.559 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000848293582 595355179 /nfs/dbraw/zinc/35/51/79/595355179.db2.gz RNZQSUVLGWBLIM-WAAGHKOSSA-N 1 0 335.389 1.670 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000848476251 595389063 /nfs/dbraw/zinc/38/90/63/595389063.db2.gz ZXELYEPGAJLGGD-JGZJWPJOSA-N 1 0 347.824 1.867 20 5 EDBDRO COC[C@@H]1CC[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848479460 595390229 /nfs/dbraw/zinc/39/02/29/595390229.db2.gz AWEUFFKMGPYLOK-CZUORRHYSA-N 1 0 333.388 1.837 20 5 EDBDRO C[C@@]1(C(N)=O)CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848487071 595393243 /nfs/dbraw/zinc/39/32/43/595393243.db2.gz OCHMVBSIOSUHSX-MRXNPFEDSA-N 1 0 329.360 1.613 20 5 EDBDRO O=C([C@H]1[NH2+]CC12CCCC2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852771300 595536819 /nfs/dbraw/zinc/53/68/19/595536819.db2.gz DOCBMRPEROLCDC-MRXNPFEDSA-N 1 0 344.415 1.776 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857765443 595599699 /nfs/dbraw/zinc/59/96/99/595599699.db2.gz GRMYRAYMJNOFPL-ZJUUUORDSA-N 1 0 329.303 1.810 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000855289377 595662839 /nfs/dbraw/zinc/66/28/39/595662839.db2.gz QGBBOKUOINQFEF-CYBMUJFWSA-N 1 0 349.387 1.775 20 5 EDBDRO C[NH+](C)C[C@@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000853215959 595707284 /nfs/dbraw/zinc/70/72/84/595707284.db2.gz VYBNZPZAVNPBDD-GGZOMVNGSA-N 1 0 332.278 1.915 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853497870 595769586 /nfs/dbraw/zinc/76/95/86/595769586.db2.gz BZLQOJZXJBORIX-ZDUSSCGKSA-N 1 0 330.392 1.837 20 5 EDBDRO C[C@]12COC[C@H]1C[N@H+](Cn1cnc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000853565378 595806431 /nfs/dbraw/zinc/80/64/31/595806431.db2.gz DYVFYQRKSXIWJF-CJNGLKHVSA-N 1 0 329.360 1.779 20 5 EDBDRO C[C@H]1CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[NH2+]1 ZINC000858631307 595850849 /nfs/dbraw/zinc/85/08/49/595850849.db2.gz CANJEVUTZCZPHS-WCBMZHEXSA-N 1 0 333.797 1.667 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c2nonc21 ZINC000853965155 595935631 /nfs/dbraw/zinc/93/56/31/595935631.db2.gz FRJGMPVXVLQHIZ-NSHDSACASA-N 1 0 333.348 1.166 20 5 EDBDRO COc1cc(C(=O)OC[C@@]2(C)C[C@@H](OC)C[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000861345943 595952878 /nfs/dbraw/zinc/95/28/78/595952878.db2.gz ZMAHTWZZBKFNNQ-MLGOLLRUSA-N 1 0 338.360 1.869 20 5 EDBDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852351037 596133852 /nfs/dbraw/zinc/13/38/52/596133852.db2.gz HFIOMHCQVRUBOM-WBQNTZJQSA-N 1 0 338.404 1.784 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000866524721 596241662 /nfs/dbraw/zinc/24/16/62/596241662.db2.gz LYGXUGOEQWLNJM-WBMJQRKESA-N 1 0 335.360 1.775 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC(N2CC[C@@H](O)C2)C1 ZINC000862133502 596248709 /nfs/dbraw/zinc/24/87/09/596248709.db2.gz RDGSUTMBZOBRRX-OAHLLOKOSA-N 1 0 341.367 1.639 20 5 EDBDRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000870854039 596377953 /nfs/dbraw/zinc/37/79/53/596377953.db2.gz PGXFIYITVOPGIH-OKILXGFUSA-N 1 0 332.404 1.761 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867813724 596565489 /nfs/dbraw/zinc/56/54/89/596565489.db2.gz YMTIXLLBFVGXQU-JSGCOSHPSA-N 1 0 339.417 1.618 20 5 EDBDRO C[NH+]1CCC(N2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000863499554 596600615 /nfs/dbraw/zinc/60/06/15/596600615.db2.gz CJTGXZLKZBDUDX-INIZCTEOSA-N 1 0 332.360 1.456 20 5 EDBDRO CCOC(=O)c1ccnc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000866205998 596826588 /nfs/dbraw/zinc/82/65/88/596826588.db2.gz PXHAXXKYABGXKW-AAEUAGOBSA-N 1 0 334.376 1.697 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CC3(CO2)CCOCC3)c1 ZINC000872231783 596846998 /nfs/dbraw/zinc/84/69/98/596846998.db2.gz RWXWERHZRNSFMZ-CVEARBPZSA-N 1 0 336.388 1.804 20 5 EDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCOCCS(C)(=O)=O ZINC000866301713 596851795 /nfs/dbraw/zinc/85/17/95/596851795.db2.gz RUOFLCNFSGNCAX-NSHDSACASA-N 1 0 348.396 1.316 20 5 EDBDRO CCOC1CC2(C[C@@H]2[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000872250836 596854150 /nfs/dbraw/zinc/85/41/50/596854150.db2.gz LEOGKVLGAQFKIZ-PXZKZTPFSA-N 1 0 336.388 1.882 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000874362554 597034326 /nfs/dbraw/zinc/03/43/26/597034326.db2.gz AWGJTHPJPAILJI-CABCVRRESA-N 1 0 346.387 1.537 20 5 EDBDRO [NH3+][C@H]1CCCCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000877126993 597438378 /nfs/dbraw/zinc/43/83/78/597438378.db2.gz XSEMXFNSUMOAAK-NSHDSACASA-N 1 0 325.340 1.843 20 5 EDBDRO CCO[C@@H]1C[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)[C@]12CCCO2 ZINC000877345505 597497329 /nfs/dbraw/zinc/49/73/29/597497329.db2.gz FFVGUILLECHOML-MVKYRMLYSA-N 1 0 336.392 1.811 20 5 EDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1ccc(N3CCCC3)c([N+](=O)[O-])c1)C2 ZINC000877379197 597505381 /nfs/dbraw/zinc/50/53/81/597505381.db2.gz FDNOFDXLJTZTRL-KBXCAEBGSA-N 1 0 344.415 1.877 20 5 EDBDRO COc1ccc(C[NH+]2CCC(c3nnnn3C)CC2)cc1[N+](=O)[O-] ZINC000877781412 597555808 /nfs/dbraw/zinc/55/58/08/597555808.db2.gz FTTAQEHTFPBGNB-UHFFFAOYSA-N 1 0 332.364 1.507 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](n3ccnn3)CC2)cc1 ZINC000878941018 597761669 /nfs/dbraw/zinc/76/16/69/597761669.db2.gz JLFMYKGXDQXUGW-ZBFHGGJFSA-N 1 0 331.376 1.947 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH2+]C)cc1[N+](=O)[O-] ZINC000883473688 597764088 /nfs/dbraw/zinc/76/40/88/597764088.db2.gz IXCFYXPGOFZRQM-CYBMUJFWSA-N 1 0 341.433 1.920 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H]([NH2+]C3CCOCC3)C2)c1 ZINC000880203482 597872477 /nfs/dbraw/zinc/87/24/77/597872477.db2.gz KERDJFIKGZGAHX-FUHWJXTLSA-N 1 0 349.431 1.861 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)c2ccccc2)c1 ZINC000916632968 696690967 /nfs/dbraw/zinc/69/09/67/696690967.db2.gz FLPMZXHGYUUGEA-NVXWUHKLSA-N 1 0 332.356 1.658 20 5 EDBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000917198449 696969539 /nfs/dbraw/zinc/96/95/39/696969539.db2.gz AWXBHFZJWXXRNK-VWYCJHECSA-N 1 0 338.795 1.726 20 5 EDBDRO O=C(CC1(O)CCC1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000996363794 702723899 /nfs/dbraw/zinc/72/38/99/702723899.db2.gz MMDIEDUQQUUXFC-UHFFFAOYSA-N 1 0 347.415 1.981 20 5 EDBDRO Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)n1 ZINC000996429929 702783716 /nfs/dbraw/zinc/78/37/16/702783716.db2.gz XBFPVTCHNFXOEE-HZPDHXFCSA-N 1 0 332.404 1.444 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)C2(C)CC=CC2)CC1 ZINC000996948538 703217953 /nfs/dbraw/zinc/21/79/53/703217953.db2.gz UZLFUVFGZORBLV-UHFFFAOYSA-N 1 0 347.419 1.765 20 5 EDBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1cncnc1 ZINC001002652676 709229108 /nfs/dbraw/zinc/22/91/08/709229108.db2.gz RBFCDELOCXBCHL-UHFFFAOYSA-N 1 0 341.371 1.779 20 5 EDBDRO CCc1n[nH]c(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000171399988 529467068 /nfs/dbraw/zinc/46/70/68/529467068.db2.gz GIWBKMUHJDXKNH-RYUDHWBXSA-N 1 0 337.424 1.978 20 5 EDBDRO O=[N+]([O-])c1cnn(CCN2CCN(CCOc3ccccc3)CC2)c1 ZINC000174810443 231317230 /nfs/dbraw/zinc/31/72/30/231317230.db2.gz DDDMXJPFRBGLGY-UHFFFAOYSA-N 1 0 345.403 1.488 20 5 EDBDRO Cc1nn(C)c(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)c1[N+](=O)[O-] ZINC000347339195 282254043 /nfs/dbraw/zinc/25/40/43/282254043.db2.gz NVAKENBWRFMDDO-MEBBXXQBSA-N 1 0 348.363 1.613 20 5 EDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000182476599 529961330 /nfs/dbraw/zinc/96/13/30/529961330.db2.gz MWKMAEDCSWITKA-YCPHGPKFSA-N 1 0 338.404 1.817 20 5 EDBDRO CNS(=O)(=O)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000187195934 530018605 /nfs/dbraw/zinc/01/86/05/530018605.db2.gz SLQVTEWTVJIOFA-CYBMUJFWSA-N 1 0 327.406 1.055 20 5 EDBDRO Nc1c(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000178167598 232099483 /nfs/dbraw/zinc/09/94/83/232099483.db2.gz ZJHMIRGAFZOFFW-UHFFFAOYSA-N 1 0 348.403 1.361 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066223915 215024565 /nfs/dbraw/zinc/02/45/65/215024565.db2.gz ZVOKLTAHEJNHRZ-CQSZACIVSA-N 1 0 332.360 1.230 20 5 EDBDRO C[N@H+](CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000102340389 219196663 /nfs/dbraw/zinc/19/66/63/219196663.db2.gz MEXWWRRNCKPFGZ-UHFFFAOYSA-N 1 0 337.424 1.907 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H](C)C[NH+](C)C)c1F ZINC000412362024 304001834 /nfs/dbraw/zinc/00/18/34/304001834.db2.gz UDOUTGFWMMVFAA-JTQLQIEISA-N 1 0 327.356 1.599 20 5 EDBDRO CC[NH+](CC)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])nc1C)CC(C)C ZINC000068467537 215310655 /nfs/dbraw/zinc/31/06/55/215310655.db2.gz FSMYXWXIYDOKGY-CQSZACIVSA-N 1 0 339.440 1.972 20 5 EDBDRO CC(C)Oc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000562449787 306299048 /nfs/dbraw/zinc/29/90/48/306299048.db2.gz GKLQDFKXIMZZAE-HNNXBMFYSA-N 1 0 334.376 1.729 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000069129064 215361594 /nfs/dbraw/zinc/36/15/94/215361594.db2.gz FLNOGAUGLFIQQC-LLVKDONJSA-N 1 0 341.433 1.918 20 5 EDBDRO C[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C[NH+]1CCCC1 ZINC000180778762 233984574 /nfs/dbraw/zinc/98/45/74/233984574.db2.gz LIJDMQZVRAGONB-NSHDSACASA-N 1 0 335.360 1.785 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181299192 234145552 /nfs/dbraw/zinc/14/55/52/234145552.db2.gz MADZYKMMGHCBJO-NEPJUHHUSA-N 1 0 335.360 1.926 20 5 EDBDRO CC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000412836898 304039704 /nfs/dbraw/zinc/03/97/04/304039704.db2.gz JDQUIKVXTDTWSN-LBPRGKRZSA-N 1 0 329.360 1.605 20 5 EDBDRO COC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000183451341 235085843 /nfs/dbraw/zinc/08/58/43/235085843.db2.gz VKBCCXIRLGPQHZ-CQSZACIVSA-N 1 0 328.390 1.383 20 5 EDBDRO CCOC(=O)c1ccnc(N2CC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000077963264 138256011 /nfs/dbraw/zinc/25/60/11/138256011.db2.gz YKMWZWBCIVBQJQ-LBPRGKRZSA-N 1 0 334.376 1.841 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000124847217 138330181 /nfs/dbraw/zinc/33/01/81/138330181.db2.gz SAHQZDPPLVYQFO-LLVKDONJSA-N 1 0 347.462 1.927 20 5 EDBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000125132509 138332341 /nfs/dbraw/zinc/33/23/41/138332341.db2.gz YZGGYRSJOLMKKD-LBPRGKRZSA-N 1 0 336.392 1.937 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000131912329 138367786 /nfs/dbraw/zinc/36/77/86/138367786.db2.gz WHLISXZJJANQHE-OAHLLOKOSA-N 1 0 334.420 1.707 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000171628714 138658932 /nfs/dbraw/zinc/65/89/32/138658932.db2.gz JWTWIHZCGSUZLP-SNVBAGLBSA-N 1 0 343.405 1.351 20 5 EDBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(C)c3[N+](=O)[O-])C2)CC1 ZINC000106805223 219697281 /nfs/dbraw/zinc/69/72/81/219697281.db2.gz OFEIFKMYJFPSEP-HNNXBMFYSA-N 1 0 346.431 1.755 20 5 EDBDRO C[C@@H]1CCC[C@@](CNC(=O)c2cc([N+](=O)[O-])cnc2N)([NH+](C)C)C1 ZINC000183691696 138786835 /nfs/dbraw/zinc/78/68/35/138786835.db2.gz YSNBTIYLHAUSOM-BDJLRTHQSA-N 1 0 335.408 1.812 20 5 EDBDRO Nc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000131346686 223225080 /nfs/dbraw/zinc/22/50/80/223225080.db2.gz TWICGMFZQFLADX-CYBMUJFWSA-N 1 0 336.392 1.144 20 5 EDBDRO CC(C)[C@@H]1[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCOCC2 ZINC000414183485 304104850 /nfs/dbraw/zinc/10/48/50/304104850.db2.gz NGLLZOAEAQITHY-CABCVRRESA-N 1 0 338.408 1.289 20 5 EDBDRO COc1cc(C(=O)NCC2([NH+](C)C)CCOCC2)ccc1[N+](=O)[O-] ZINC000073133475 216353226 /nfs/dbraw/zinc/35/32/26/216353226.db2.gz GNPZNQQUUJLUQI-UHFFFAOYSA-N 1 0 337.376 1.444 20 5 EDBDRO C[C@@H]1CCCN(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000565853185 306393545 /nfs/dbraw/zinc/39/35/45/306393545.db2.gz BBLNFVORPZDYJN-CABCVRRESA-N 1 0 337.420 1.656 20 5 EDBDRO C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000078713718 217106866 /nfs/dbraw/zinc/10/68/66/217106866.db2.gz HHIOXJWNUCAPBQ-LLVKDONJSA-N 1 0 340.811 1.614 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000236982227 139037159 /nfs/dbraw/zinc/03/71/59/139037159.db2.gz HRSSYECWZGPNBE-DGCLKSJQSA-N 1 0 341.433 1.905 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCC([NH3+])CC1 ZINC000237205342 139044012 /nfs/dbraw/zinc/04/40/12/139044012.db2.gz BQPXSKSCSRCAIL-UHFFFAOYSA-N 1 0 329.378 1.152 20 5 EDBDRO C[NH2+]CC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000237358062 139049058 /nfs/dbraw/zinc/04/90/58/139049058.db2.gz XLNQRKODDIZAEU-UHFFFAOYSA-N 1 0 327.406 1.523 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000237325210 139048028 /nfs/dbraw/zinc/04/80/28/139048028.db2.gz BKHWRXZAUZCEHU-ZYHUDNBSSA-N 1 0 343.405 1.399 20 5 EDBDRO [NH3+]C1CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 ZINC000237825665 139061424 /nfs/dbraw/zinc/06/14/24/139061424.db2.gz UJTTZVDSOGOHBM-UHFFFAOYSA-N 1 0 348.359 1.233 20 5 EDBDRO Cc1nn(CCC(=O)N[C@@H](C[NH3+])C2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000237873067 139062561 /nfs/dbraw/zinc/06/25/61/139062561.db2.gz NEKGAOWQJRJOAV-AWEZNQCLSA-N 1 0 337.424 1.822 20 5 EDBDRO C[C@H](O)CN1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000246824475 139123257 /nfs/dbraw/zinc/12/32/57/139123257.db2.gz SUGHCCJKNYXZCI-MNOVXSKESA-N 1 0 341.795 1.775 20 5 EDBDRO [NH3+]CCc1ccccc1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000568151946 306473416 /nfs/dbraw/zinc/47/34/16/306473416.db2.gz QOQZKZDWUZYNGF-UHFFFAOYSA-N 1 0 343.387 1.770 20 5 EDBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247474146 139149672 /nfs/dbraw/zinc/14/96/72/139149672.db2.gz RYYUQTPEMRGFQY-FVQBIDKESA-N 1 0 335.404 1.503 20 5 EDBDRO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000178681109 291694916 /nfs/dbraw/zinc/69/49/16/291694916.db2.gz FEVSSSREBGQPHO-IUODEOHRSA-N 1 0 348.403 1.361 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000248021246 139157367 /nfs/dbraw/zinc/15/73/67/139157367.db2.gz NVLFQOZZTSJNIK-WMLDXEAASA-N 1 0 333.388 1.821 20 5 EDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000250766601 139201286 /nfs/dbraw/zinc/20/12/86/139201286.db2.gz XEROLDVRVHFPRA-URLYPYJESA-N 1 0 326.150 1.305 20 5 EDBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000173988342 284783411 /nfs/dbraw/zinc/78/34/11/284783411.db2.gz HUZQUJPEZKOTOF-GFCCVEGCSA-N 1 0 327.406 1.700 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@H]12 ZINC000252977880 139205368 /nfs/dbraw/zinc/20/53/68/139205368.db2.gz WBKYVBCBZRQRKF-LEWSCRJBSA-N 1 0 326.356 1.952 20 5 EDBDRO CNS(=O)(=O)c1ccc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000261648302 139214182 /nfs/dbraw/zinc/21/41/82/139214182.db2.gz DZNOAGGZCTZGOJ-WDEREUQCSA-N 1 0 342.421 1.303 20 5 EDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000261684637 139217434 /nfs/dbraw/zinc/21/74/34/139217434.db2.gz RADRIPMIXQJCLF-JPZVUWATSA-N 1 0 333.388 1.996 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261784306 139225619 /nfs/dbraw/zinc/22/56/19/139225619.db2.gz SHPPFXICDSVRST-QWRGUYRKSA-N 1 0 343.405 1.351 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261784689 139225621 /nfs/dbraw/zinc/22/56/21/139225621.db2.gz NDFUXKVLCVDGPG-INIZCTEOSA-N 1 0 336.392 1.603 20 5 EDBDRO C[NH2+]CCC1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000261825131 139229359 /nfs/dbraw/zinc/22/93/59/139229359.db2.gz WZKHMKJHJGIFEW-UHFFFAOYSA-N 1 0 341.433 1.913 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261813519 139228205 /nfs/dbraw/zinc/22/82/05/139228205.db2.gz AAAWPWSRELIYGM-OCCSQVGLSA-N 1 0 325.390 1.108 20 5 EDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000261844646 139230997 /nfs/dbraw/zinc/23/09/97/139230997.db2.gz PNZBJKONTQMXHT-RYUDHWBXSA-N 1 0 343.387 1.805 20 5 EDBDRO COC(=O)COc1ccc(CN2[C@H](C)C[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000261971929 139240938 /nfs/dbraw/zinc/24/09/38/139240938.db2.gz QLNDFRZEGRGZSD-TXEJJXNPSA-N 1 0 337.376 1.329 20 5 EDBDRO COC(=O)COc1ccc(CNCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000414904824 250884159 /nfs/dbraw/zinc/88/41/59/250884159.db2.gz MAZZSPXYDUZXNS-CYBMUJFWSA-N 1 0 337.376 1.378 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000262151882 139255568 /nfs/dbraw/zinc/25/55/68/139255568.db2.gz GAXQFFBAPAWHQE-UHFFFAOYSA-N 1 0 338.433 1.414 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000415544629 251000123 /nfs/dbraw/zinc/00/01/23/251000123.db2.gz UOUXHDLPMRMLNV-QWRGUYRKSA-N 1 0 334.376 1.291 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000415821047 251030838 /nfs/dbraw/zinc/03/08/38/251030838.db2.gz FCVAOEZYZXHEAQ-CQSZACIVSA-N 1 0 334.376 1.475 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000415573384 304228912 /nfs/dbraw/zinc/22/89/12/304228912.db2.gz CCDFLPWSJSHMAT-YUTCNCBUSA-N 1 0 346.387 1.428 20 5 EDBDRO C[C@@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000262449744 139279817 /nfs/dbraw/zinc/27/98/17/139279817.db2.gz HPFDNKAMGMJRBZ-RISCZKNCSA-N 1 0 327.406 1.484 20 5 EDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]CCO1 ZINC000417731710 251246079 /nfs/dbraw/zinc/24/60/79/251246079.db2.gz SEGMZOYHKRZBFQ-HNNXBMFYSA-N 1 0 336.392 1.205 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cccc1[N+](=O)[O-] ZINC000415579430 304231130 /nfs/dbraw/zinc/23/11/30/304231130.db2.gz CRWBFDUPLSXQFV-SRVKXCTJSA-N 1 0 332.360 1.037 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000417850647 251297552 /nfs/dbraw/zinc/29/75/52/251297552.db2.gz MJENIOWRYUQKJU-JSGCOSHPSA-N 1 0 336.392 1.642 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000262546859 139285676 /nfs/dbraw/zinc/28/56/76/139285676.db2.gz RVTNYXBZHHLIQZ-GXSJLCMTSA-N 1 0 345.808 1.621 20 5 EDBDRO C[C@H](NC(=O)C(=O)NCC1(C)CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000419146292 251485465 /nfs/dbraw/zinc/48/54/65/251485465.db2.gz IGNZIYRJRYGWOT-LBPRGKRZSA-N 1 0 348.403 1.278 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000420351914 251693863 /nfs/dbraw/zinc/69/38/63/251693863.db2.gz YJBNQUJEMGVGFY-RWMBFGLXSA-N 1 0 348.403 1.757 20 5 EDBDRO COc1ccc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000420435994 251720595 /nfs/dbraw/zinc/72/05/95/251720595.db2.gz ADFRJSGCZUYUIL-NSHDSACASA-N 1 0 343.405 1.414 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000262737555 139300159 /nfs/dbraw/zinc/30/01/59/139300159.db2.gz IRNZIYOHJUQJOU-IAQYHMDHSA-N 1 0 329.360 1.508 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1C ZINC000262739928 139300219 /nfs/dbraw/zinc/30/02/19/139300219.db2.gz BQYUCZZWQJFHCD-MFKMUULPSA-N 1 0 327.406 1.488 20 5 EDBDRO COC(=O)c1cc(NC(=O)NC[C@H]2CC[NH2+]C2)c(C)c([N+](=O)[O-])c1 ZINC000415592778 304234866 /nfs/dbraw/zinc/23/48/66/304234866.db2.gz CNOUFKOTUWAITI-JTQLQIEISA-N 1 0 336.348 1.421 20 5 EDBDRO Cc1c(CNC(=O)C2(n3cccn3)CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000423793810 252077578 /nfs/dbraw/zinc/07/75/78/252077578.db2.gz CUWRUDRRJUTOQT-UHFFFAOYSA-N 1 0 343.387 1.495 20 5 EDBDRO CO[C@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000415631204 304243081 /nfs/dbraw/zinc/24/30/81/304243081.db2.gz MGUCQGABVQSHSN-STQMWFEESA-N 1 0 326.328 1.704 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000420457453 285138196 /nfs/dbraw/zinc/13/81/96/285138196.db2.gz OFAGAINXOSBVBG-QWRGUYRKSA-N 1 0 345.446 1.667 20 5 EDBDRO CC[NH+](CC)[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)CC(C)C ZINC000112915181 220421016 /nfs/dbraw/zinc/42/10/16/220421016.db2.gz SAQLUPXJQIJTHK-GFCCVEGCSA-N 1 0 326.401 1.059 20 5 EDBDRO C[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415704561 304259808 /nfs/dbraw/zinc/25/98/08/304259808.db2.gz SFASSNGCNJIUTN-SNVBAGLBSA-N 1 0 336.392 1.555 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000415774181 304268167 /nfs/dbraw/zinc/26/81/67/304268167.db2.gz XMOCOIXLEBLTSB-UHFFFAOYSA-N 1 0 346.387 1.444 20 5 EDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492208421 255162250 /nfs/dbraw/zinc/16/22/50/255162250.db2.gz OCJADJCMZBONCE-PKYBCLHXSA-N 1 0 325.340 1.176 20 5 EDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NCC1(N2CCOCC2)CC1 ZINC000493632137 255217247 /nfs/dbraw/zinc/21/72/47/255217247.db2.gz VHDIXUSKWJXELJ-RQOWECAXSA-N 1 0 349.362 1.728 20 5 EDBDRO Cn1cc([C@@H]2CN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000493828051 255223239 /nfs/dbraw/zinc/22/32/39/255223239.db2.gz UGYGDWZXIYWGLI-NHQLZKDQSA-N 1 0 341.371 1.295 20 5 EDBDRO CC[NH+]1CCC(n2nccc2NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000263867368 139365895 /nfs/dbraw/zinc/36/58/95/139365895.db2.gz GURWJSNKBKASCS-UHFFFAOYSA-N 1 0 347.379 1.283 20 5 EDBDRO C[C@H]1OCC[C@@]1(C)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000494269671 255243754 /nfs/dbraw/zinc/24/37/54/255243754.db2.gz AMFNMZGMEZVESM-RFAUZJTJSA-N 1 0 337.332 1.419 20 5 EDBDRO Cc1c(NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000118102547 221118016 /nfs/dbraw/zinc/11/80/16/221118016.db2.gz YVRDMTUKWTVAQJ-CQSZACIVSA-N 1 0 334.376 1.298 20 5 EDBDRO C[C@@](C[NH3+])(NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CC1 ZINC000154807119 224308897 /nfs/dbraw/zinc/30/88/97/224308897.db2.gz XRCPGEVGVFOIMA-HNNXBMFYSA-N 1 0 330.348 1.033 20 5 EDBDRO COc1cc(NCC2CC[NH+](CCO)CC2)c(F)cc1[N+](=O)[O-] ZINC000119686625 221378067 /nfs/dbraw/zinc/37/80/67/221378067.db2.gz XIFGDROUSKSPSO-UHFFFAOYSA-N 1 0 327.356 1.859 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000415852244 304282011 /nfs/dbraw/zinc/28/20/11/304282011.db2.gz JHDNLPJYSFMWHG-STQMWFEESA-N 1 0 346.387 1.381 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)c1 ZINC000420460239 291991495 /nfs/dbraw/zinc/99/14/95/291991495.db2.gz KRWGAYHKYCIKCI-AWEZNQCLSA-N 1 0 341.433 1.878 20 5 EDBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000270489164 140109841 /nfs/dbraw/zinc/10/98/41/140109841.db2.gz UFRVSNPBKHQMKC-GUYCJALGSA-N 1 0 349.387 1.905 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000270786644 140169031 /nfs/dbraw/zinc/16/90/31/140169031.db2.gz FMXBIODEOANAQU-LBPRGKRZSA-N 1 0 344.371 1.594 20 5 EDBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1O ZINC000270971690 140210831 /nfs/dbraw/zinc/21/08/31/140210831.db2.gz WGQRSNCNYUKGHV-BXUZGUMPSA-N 1 0 337.376 1.635 20 5 EDBDRO COC[C@H](C)NC(=O)NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000271685492 140333572 /nfs/dbraw/zinc/33/35/72/140333572.db2.gz QKRYIODBQQXLBE-QWRGUYRKSA-N 1 0 338.364 1.106 20 5 EDBDRO C[NH+](C)CC1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000331679867 141066624 /nfs/dbraw/zinc/06/66/24/141066624.db2.gz PQVBHCUGHQKSQV-QGZVFWFLSA-N 1 0 346.431 1.974 20 5 EDBDRO Cc1c(C[N@@H+]2CCC[C@](O)(C(=O)N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000331738508 141075342 /nfs/dbraw/zinc/07/53/42/141075342.db2.gz UZSCGAIQVKKOHZ-GOSISDBHSA-N 1 0 347.415 1.853 20 5 EDBDRO COCCn1cc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000337383109 141583793 /nfs/dbraw/zinc/58/37/93/141583793.db2.gz DUXCLNPSOLQKMX-HUUCEWRRSA-N 1 0 348.407 1.908 20 5 EDBDRO CCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)N(C)C1=O ZINC000338332328 141788246 /nfs/dbraw/zinc/78/82/46/141788246.db2.gz KLESISSOZNGEJL-AWEZNQCLSA-N 1 0 335.360 1.443 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)cc1 ZINC000339757160 142146580 /nfs/dbraw/zinc/14/65/80/142146580.db2.gz CPFUUQICXGRNDY-IAGOWNOFSA-N 1 0 336.388 1.883 20 5 EDBDRO CN(C)S(=O)(=O)c1ccc(NCC(C)(C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000339964180 142214428 /nfs/dbraw/zinc/21/44/28/142214428.db2.gz BKEFVPHVYXBLTA-UHFFFAOYSA-N 1 0 344.437 1.597 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CCC[C@@H]1C(N)=O ZINC000344790841 143012200 /nfs/dbraw/zinc/01/22/00/143012200.db2.gz JOGRFTAKDYGDSE-GWKQRERASA-N 1 0 346.431 1.928 20 5 EDBDRO CCCN(CC[NH+](C)C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000344818824 143015580 /nfs/dbraw/zinc/01/55/80/143015580.db2.gz AFYNSODMEILZGN-UHFFFAOYSA-N 1 0 339.392 1.782 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(=O)N1CCOCC1 ZINC000344834610 143017734 /nfs/dbraw/zinc/01/77/34/143017734.db2.gz FPKJAPAZEUDPPH-SDNWHVSQSA-N 1 0 333.388 1.837 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000345874593 143142077 /nfs/dbraw/zinc/14/20/77/143142077.db2.gz LVASULJVLATMMJ-ZLKJLUDKSA-N 1 0 334.376 1.426 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000345879013 143142532 /nfs/dbraw/zinc/14/25/32/143142532.db2.gz HBFYWMFKJRYKLK-IJLUTSLNSA-N 1 0 334.376 1.426 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000347785942 143363091 /nfs/dbraw/zinc/36/30/91/143363091.db2.gz GLESVKLGWIVOAF-UKRRQHHQSA-N 1 0 335.360 1.149 20 5 EDBDRO COc1cc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352873413 149198099 /nfs/dbraw/zinc/19/80/99/149198099.db2.gz GPHRWNHUCOKPRS-DZGCQCFKSA-N 1 0 335.404 1.898 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]CCc2cn[nH]c2)cc1[N+](=O)[O-] ZINC000353221722 149329181 /nfs/dbraw/zinc/32/91/81/149329181.db2.gz PPZAGHZZEPZBSP-UHFFFAOYSA-N 1 0 334.332 1.202 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]CCN2CCCC2)cc1[N+](=O)[O-] ZINC000353763728 149517690 /nfs/dbraw/zinc/51/76/90/149517690.db2.gz XHVBGSLMOMGRRV-UHFFFAOYSA-N 1 0 337.376 1.332 20 5 EDBDRO Cc1nc(CN2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)CC2)oc1C ZINC000370001740 155274328 /nfs/dbraw/zinc/27/43/28/155274328.db2.gz JYVAFDJBVRYUDP-UHFFFAOYSA-N 1 0 348.407 1.604 20 5 EDBDRO C[C@@H]1CCC[C@@](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)([NH+](C)C)C1 ZINC000357875703 151181135 /nfs/dbraw/zinc/18/11/35/151181135.db2.gz BVERUQUJFQUCNV-BDJLRTHQSA-N 1 0 336.392 1.936 20 5 EDBDRO C[C@H](CC[NH+](C)C)NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000357986025 151223023 /nfs/dbraw/zinc/22/30/23/151223023.db2.gz BONGFWQQKXDAQX-GFCCVEGCSA-N 1 0 336.392 1.839 20 5 EDBDRO CC[NH+]1CCC(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000357997360 151228104 /nfs/dbraw/zinc/22/81/04/151228104.db2.gz ZXHIXWOYXIHPTD-UHFFFAOYSA-N 1 0 348.403 1.983 20 5 EDBDRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000370104518 155325195 /nfs/dbraw/zinc/32/51/95/155325195.db2.gz JEJSWYWMMJUJRA-OAGGEKHMSA-N 1 0 333.388 1.059 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000360467662 152056917 /nfs/dbraw/zinc/05/69/17/152056917.db2.gz GCRBTVXMXGYYNA-QWHCGFSZSA-N 1 0 341.433 1.973 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000360560236 152095782 /nfs/dbraw/zinc/09/57/82/152095782.db2.gz FCZKNMVOALESGD-INIZCTEOSA-N 1 0 334.376 1.227 20 5 EDBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000364197700 153170164 /nfs/dbraw/zinc/17/01/64/153170164.db2.gz VNFRHFOVQCYHGX-QOBDMFJFSA-N 1 0 325.315 1.192 20 5 EDBDRO CN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000364651378 153294711 /nfs/dbraw/zinc/29/47/11/153294711.db2.gz YHTBZFFVEMPCGX-CYBMUJFWSA-N 1 0 344.375 1.390 20 5 EDBDRO CN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000364651379 153294898 /nfs/dbraw/zinc/29/48/98/153294898.db2.gz YHTBZFFVEMPCGX-ZDUSSCGKSA-N 1 0 344.375 1.390 20 5 EDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000366709158 153897031 /nfs/dbraw/zinc/89/70/31/153897031.db2.gz IMUKLGLFCUDMFE-OLZOCXBDSA-N 1 0 325.390 1.251 20 5 EDBDRO Cc1cc(C)n([C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000367139780 154019803 /nfs/dbraw/zinc/01/98/03/154019803.db2.gz LIFGTPDDYMYLBW-OAHLLOKOSA-N 1 0 345.403 1.907 20 5 EDBDRO O=C(CC[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000367460068 154130503 /nfs/dbraw/zinc/13/05/03/154130503.db2.gz YCJSRQVBJJUBAI-PBHICJAKSA-N 1 0 346.387 1.570 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)n1 ZINC000367551240 154171565 /nfs/dbraw/zinc/17/15/65/154171565.db2.gz YNYCDGXYADYFRI-IINYFYTJSA-N 1 0 349.416 1.813 20 5 EDBDRO Nc1ccc(NC2CC[NH+](CC(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000367720893 154243792 /nfs/dbraw/zinc/24/37/92/154243792.db2.gz NAKPTWSVIKSYNX-UHFFFAOYSA-N 1 0 347.419 1.676 20 5 EDBDRO NC(=O)C[C@@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000367992774 154359355 /nfs/dbraw/zinc/35/93/55/154359355.db2.gz FMQDVPTUZDEWFB-VIFPVBQESA-N 1 0 340.767 1.384 20 5 EDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574821345 306657957 /nfs/dbraw/zinc/65/79/57/306657957.db2.gz DYRZNBOXLCFAGZ-HIFRSBDPSA-N 1 0 337.420 1.907 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000371857119 156141287 /nfs/dbraw/zinc/14/12/87/156141287.db2.gz ASHHYLFEIBNWNK-ZDUSSCGKSA-N 1 0 325.390 1.454 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3noc(C(F)F)n3)CC2)c1 ZINC000373301569 156789635 /nfs/dbraw/zinc/78/96/35/156789635.db2.gz UHDSRMQPUPPSEW-UHFFFAOYSA-N 1 0 342.306 1.992 20 5 EDBDRO Cc1nn(CCC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000373982723 157093527 /nfs/dbraw/zinc/09/35/27/157093527.db2.gz KTDPDJDXOYDUPC-KGLIPLIRSA-N 1 0 335.408 1.541 20 5 EDBDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1cccc([N+](=O)[O-])c1 ZINC000375507473 157591438 /nfs/dbraw/zinc/59/14/38/157591438.db2.gz WSQXDBZBWBKTJK-FABXCBLPSA-N 1 0 343.387 1.999 20 5 EDBDRO CCOc1ccc(NC(=O)C[N@H+](CCO)CC2CC2)c([N+](=O)[O-])c1 ZINC000352448986 162187792 /nfs/dbraw/zinc/18/77/92/162187792.db2.gz KCSXKBSJDSAWQI-UHFFFAOYSA-N 1 0 337.376 1.636 20 5 EDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000111618239 287337824 /nfs/dbraw/zinc/33/78/24/287337824.db2.gz QGBLFURPWBBAFN-LLVKDONJSA-N 1 0 344.371 1.508 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000123248204 287386142 /nfs/dbraw/zinc/38/61/42/287386142.db2.gz AMMSVHPTPFVNTL-CHWSQXEVSA-N 1 0 327.406 1.760 20 5 EDBDRO [NH3+][C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000165846746 226138927 /nfs/dbraw/zinc/13/89/27/226138927.db2.gz MBDVDVKHLUAIGY-SNVBAGLBSA-N 1 0 328.166 1.921 20 5 EDBDRO C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000122479185 222096718 /nfs/dbraw/zinc/09/67/18/222096718.db2.gz NQCQWKZVGOYOJU-GFCCVEGCSA-N 1 0 334.376 1.381 20 5 EDBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000122447638 222089415 /nfs/dbraw/zinc/08/94/15/222089415.db2.gz FHIHPJZMRYZAFA-OAHLLOKOSA-N 1 0 348.447 1.527 20 5 EDBDRO Cc1nn(CCC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000124009330 222364213 /nfs/dbraw/zinc/36/42/13/222364213.db2.gz ZUAURBXINQXZSC-RISCZKNCSA-N 1 0 337.424 1.739 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000130811423 287499655 /nfs/dbraw/zinc/49/96/55/287499655.db2.gz XAGQOAMGTQLUPO-CYBMUJFWSA-N 1 0 335.339 1.350 20 5 EDBDRO CC1(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[NH2+]CC1 ZINC000193357232 272991488 /nfs/dbraw/zinc/99/14/88/272991488.db2.gz YHMBPLJLGJCAGV-UHFFFAOYSA-N 1 0 330.344 1.308 20 5 EDBDRO C[C@@H]1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000237441679 273010344 /nfs/dbraw/zinc/01/03/44/273010344.db2.gz FEUGOMDRYLKHHY-ABAIWWIYSA-N 1 0 344.375 1.375 20 5 EDBDRO COc1cc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000237227902 267926848 /nfs/dbraw/zinc/92/68/48/267926848.db2.gz ZKZNRFJIZNZCFR-MFKMUULPSA-N 1 0 343.405 1.351 20 5 EDBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273625134 268067128 /nfs/dbraw/zinc/06/71/28/268067128.db2.gz PELXJOBXJFANHU-OKILXGFUSA-N 1 0 334.424 1.380 20 5 EDBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000274995966 268259499 /nfs/dbraw/zinc/25/94/99/268259499.db2.gz NGQLVVGANVUNSU-UHFFFAOYSA-N 1 0 334.376 1.786 20 5 EDBDRO Cc1noc([C@H]2C[C@@H](O)CN2CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000275269312 268310768 /nfs/dbraw/zinc/31/07/68/268310768.db2.gz JBUHFKRSNQTQCA-TZMCWYRMSA-N 1 0 334.332 1.473 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000275495489 268351209 /nfs/dbraw/zinc/35/12/09/268351209.db2.gz BUKTWNFFJGUIFL-CQSZACIVSA-N 1 0 330.392 1.682 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000275824342 268375116 /nfs/dbraw/zinc/37/51/16/268375116.db2.gz XJFDBSPNZDLCHU-UHFFFAOYSA-N 1 0 326.353 1.039 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[NH+](C2CCC2)CC1 ZINC000273402441 273036337 /nfs/dbraw/zinc/03/63/37/273036337.db2.gz WJGUKDPTCXWJHU-OAHLLOKOSA-N 1 0 335.404 1.505 20 5 EDBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1[NH+]1CCCC1 ZINC000273456329 273040970 /nfs/dbraw/zinc/04/09/70/273040970.db2.gz DPMUEGCRFOFKKJ-CMPLNLGQSA-N 1 0 325.390 1.840 20 5 EDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000273539086 273042653 /nfs/dbraw/zinc/04/26/53/273042653.db2.gz SRUTZBYSOSXOBS-GFCCVEGCSA-N 1 0 338.412 1.163 20 5 EDBDRO O=[N+]([O-])c1cnc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)nc1 ZINC000274047076 273067457 /nfs/dbraw/zinc/06/74/57/273067457.db2.gz YKAAULHGOPDNIA-OAHLLOKOSA-N 1 0 343.387 1.954 20 5 EDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000274546828 273095159 /nfs/dbraw/zinc/09/51/59/273095159.db2.gz GOXNCCBCCISYFF-UHFFFAOYSA-N 1 0 335.389 1.766 20 5 EDBDRO COc1cc(S(=O)(=O)NCC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000275520972 273110982 /nfs/dbraw/zinc/11/09/82/273110982.db2.gz VLRUQVPAZCWOCO-UHFFFAOYSA-N 1 0 343.405 1.366 20 5 EDBDRO CNS(=O)(=O)c1ccc(NCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000022815075 272909132 /nfs/dbraw/zinc/90/91/32/272909132.db2.gz PQAONLBWQIBJHZ-UHFFFAOYSA-N 1 0 328.394 1.011 20 5 EDBDRO CO[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1OC ZINC000276899304 273168318 /nfs/dbraw/zinc/16/83/18/273168318.db2.gz OSILLBYYLMKSLU-GASCZTMLSA-N 1 0 337.376 1.577 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000360110919 274004297 /nfs/dbraw/zinc/00/42/97/274004297.db2.gz GWLXPPZPOILRGE-ZDUSSCGKSA-N 1 0 349.387 1.540 20 5 EDBDRO C[C@@H](Cn1cccn1)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000265071967 274232189 /nfs/dbraw/zinc/23/21/89/274232189.db2.gz OECSVNCBANMMQS-LBPRGKRZSA-N 1 0 329.360 1.359 20 5 EDBDRO Cn1nccc1[C@H]1[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)CCC[N@@H+]1C ZINC000284671971 274288383 /nfs/dbraw/zinc/28/83/83/274288383.db2.gz VOBFCEPDJWFFNH-XHDPSFHLSA-N 1 0 347.375 1.734 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000284845807 274356723 /nfs/dbraw/zinc/35/67/23/274356723.db2.gz CMQMOAJTABSZLV-ZIAGYGMSSA-N 1 0 339.779 1.793 20 5 EDBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000284950887 274399627 /nfs/dbraw/zinc/39/96/27/274399627.db2.gz KJDQYRWKNOPXIP-UHFFFAOYSA-N 1 0 344.375 1.630 20 5 EDBDRO Cc1nc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000362395301 274842497 /nfs/dbraw/zinc/84/24/97/274842497.db2.gz IJEWUZJZAOQHJR-HIFRSBDPSA-N 1 0 333.436 1.760 20 5 EDBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373058919 275011234 /nfs/dbraw/zinc/01/12/34/275011234.db2.gz SRDZJJBROXQWCF-ZUZCIYMTSA-N 1 0 342.355 1.673 20 5 EDBDRO C[N@@H+]1CCO[C@@H]2CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]21 ZINC000343281286 277121717 /nfs/dbraw/zinc/12/17/17/277121717.db2.gz NRRITHSUTGFROG-UONOGXRCSA-N 1 0 345.359 1.554 20 5 EDBDRO CNS(=O)(=O)c1ccc(N2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261713339 277291112 /nfs/dbraw/zinc/29/11/12/277291112.db2.gz LGRFQSQEUAVUCD-NSHDSACASA-N 1 0 342.421 1.068 20 5 EDBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000286708524 288066834 /nfs/dbraw/zinc/06/68/34/288066834.db2.gz QGJNWRADRIOJKT-UHFFFAOYSA-N 1 0 335.364 1.365 20 5 EDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000286722837 288070722 /nfs/dbraw/zinc/07/07/22/288070722.db2.gz NJOXBUZOVLIWMB-SWLSCSKDSA-N 1 0 339.417 1.842 20 5 EDBDRO C[C@H](C[NH3+])NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416881346 279295601 /nfs/dbraw/zinc/29/56/01/279295601.db2.gz HAKFXVQGMDLUGE-MRVPVSSYSA-N 1 0 349.313 1.672 20 5 EDBDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286993734 288132863 /nfs/dbraw/zinc/13/28/63/288132863.db2.gz PPSMXQCKFOIPJC-CABCVRRESA-N 1 0 337.376 1.839 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000268814462 280655907 /nfs/dbraw/zinc/65/59/07/280655907.db2.gz RUCWKWFKMPGWJX-ZDUSSCGKSA-N 1 0 341.433 1.926 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)n1 ZINC000360456159 281010419 /nfs/dbraw/zinc/01/04/19/281010419.db2.gz VJSLZJOBOMPLFW-ZDUSSCGKSA-N 1 0 333.392 1.217 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000106581899 281018222 /nfs/dbraw/zinc/01/82/22/281018222.db2.gz QBOGUUHNMKXDNM-ZDUSSCGKSA-N 1 0 335.408 1.661 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](CCCO)Cc2ccccn2)c1 ZINC000287973155 288371037 /nfs/dbraw/zinc/37/10/37/288371037.db2.gz ZMXQFQUPVPIPEN-QGZVFWFLSA-N 1 0 331.372 1.908 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000291179825 289013438 /nfs/dbraw/zinc/01/34/38/289013438.db2.gz FAZQIBXGGJEXAD-LBPRGKRZSA-N 1 0 348.403 1.506 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000291741788 289166932 /nfs/dbraw/zinc/16/69/32/289166932.db2.gz JZILOSXPKGRIDZ-LSDHHAIUSA-N 1 0 332.360 1.478 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000291821541 289189314 /nfs/dbraw/zinc/18/93/14/289189314.db2.gz FFSUPQRQYYMODR-HNNXBMFYSA-N 1 0 339.417 1.620 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc([N+](=O)[O-])c1 ZINC000291917697 289215051 /nfs/dbraw/zinc/21/50/51/289215051.db2.gz OGEWNVDPWWVUDG-LLVKDONJSA-N 1 0 337.376 1.840 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000292456076 289352457 /nfs/dbraw/zinc/35/24/57/289352457.db2.gz LJGRDSOGJAAGMC-CMPLNLGQSA-N 1 0 334.332 1.635 20 5 EDBDRO C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000292486534 289360561 /nfs/dbraw/zinc/36/05/61/289360561.db2.gz CEHFALPRNXBRDU-SECBINFHSA-N 1 0 335.813 1.724 20 5 EDBDRO C[NH+](C)CC(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000292562049 289382207 /nfs/dbraw/zinc/38/22/07/289382207.db2.gz SIMJQSPGPXWYKU-UHFFFAOYSA-N 1 0 326.784 1.458 20 5 EDBDRO CN(CC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC000361808217 289452655 /nfs/dbraw/zinc/45/26/55/289452655.db2.gz SOUUJCPJKJXOHL-MRXNPFEDSA-N 1 0 332.404 1.584 20 5 EDBDRO CC(C)(CO)[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000293019150 289500141 /nfs/dbraw/zinc/50/01/41/289500141.db2.gz KJYIEWHRECJTSW-GOEBONIOSA-N 1 0 338.404 1.721 20 5 EDBDRO CCOc1cc(NC(=O)N2CC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC ZINC000414754045 447322841 /nfs/dbraw/zinc/32/28/41/447322841.db2.gz FMMRKHJTRQJQAX-JTQLQIEISA-N 1 0 338.364 1.957 20 5 EDBDRO COc1cc(C(=O)N(C)C2CC[NH+](C)CC2)c([N+](=O)[O-])cc1F ZINC000294279284 303086289 /nfs/dbraw/zinc/08/62/89/303086289.db2.gz TUQGHQMYCYCBGZ-UHFFFAOYSA-N 1 0 325.340 1.909 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1CCN2CCO[C@H]1C2 ZINC000295290732 303200242 /nfs/dbraw/zinc/20/02/42/303200242.db2.gz DPHFWUSWMMPKEV-HOTGVXAUSA-N 1 0 348.403 1.247 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000295700112 303254353 /nfs/dbraw/zinc/25/43/53/303254353.db2.gz BXNLNOFXMUKTDV-JTQLQIEISA-N 1 0 325.340 1.766 20 5 EDBDRO COC(=O)Cc1ccc(N2CCO[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000296913047 303346307 /nfs/dbraw/zinc/34/63/07/303346307.db2.gz AFMJCTIYWPJGFK-CYBMUJFWSA-N 1 0 337.376 1.077 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000297392173 303393337 /nfs/dbraw/zinc/39/33/37/303393337.db2.gz FCLAMIUMFARFNW-LBPRGKRZSA-N 1 0 327.406 1.529 20 5 EDBDRO CCCC[NH+]1CCC(NC(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000299470814 303621020 /nfs/dbraw/zinc/62/10/20/303621020.db2.gz AJSCYTOYDYYBCV-UHFFFAOYSA-N 1 0 337.424 1.871 20 5 EDBDRO C[NH+](C)[C@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C1CC1 ZINC000301877581 303701344 /nfs/dbraw/zinc/70/13/44/303701344.db2.gz JBUDXUAHQJTVIZ-GFCCVEGCSA-N 1 0 327.406 1.750 20 5 EDBDRO COc1ccc(CSCC(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000423689256 304904382 /nfs/dbraw/zinc/90/43/82/304904382.db2.gz XLJHEWQPABOFPT-CMPLNLGQSA-N 1 0 339.417 1.785 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423970701 304921664 /nfs/dbraw/zinc/92/16/64/304921664.db2.gz XHEREUVCKKQTNM-CJNGLKHVSA-N 1 0 333.388 1.964 20 5 EDBDRO CN1C(=O)NCC12CC[NH+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000425534623 304967938 /nfs/dbraw/zinc/96/79/38/304967938.db2.gz BULUOYOGRRHQNX-UHFFFAOYSA-N 1 0 334.376 1.463 20 5 EDBDRO O=C(CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000428033934 305004744 /nfs/dbraw/zinc/00/47/44/305004744.db2.gz BSSDKORSYLMURN-HIFRSBDPSA-N 1 0 330.388 1.168 20 5 EDBDRO C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000428981750 305021553 /nfs/dbraw/zinc/02/15/53/305021553.db2.gz YKPTYNYHFKJCTP-WDEREUQCSA-N 1 0 335.360 1.484 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000429467642 305030436 /nfs/dbraw/zinc/03/04/36/305030436.db2.gz ARMKTJPDBPFOMK-NSHDSACASA-N 1 0 331.376 1.826 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000429717913 305035786 /nfs/dbraw/zinc/03/57/86/305035786.db2.gz RIHHQVZCYUISCL-BARDWOONSA-N 1 0 336.392 1.090 20 5 EDBDRO COCC[C@]1(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC[NH2+]C1 ZINC000429973102 305041704 /nfs/dbraw/zinc/04/17/04/305041704.db2.gz MWSWHXHPSDNURH-MRXNPFEDSA-N 1 0 337.376 1.236 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000430663946 305061862 /nfs/dbraw/zinc/06/18/62/305061862.db2.gz KQYFGMLZXVLKIB-CYBMUJFWSA-N 1 0 348.403 1.824 20 5 EDBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000430706861 305063049 /nfs/dbraw/zinc/06/30/49/305063049.db2.gz DUJRANJZRYDUED-HNNXBMFYSA-N 1 0 349.387 1.874 20 5 EDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000434708142 305128867 /nfs/dbraw/zinc/12/88/67/305128867.db2.gz QOJVTTVACGYSHH-ABAIWWIYSA-N 1 0 343.387 1.866 20 5 EDBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000435042128 305135205 /nfs/dbraw/zinc/13/52/05/305135205.db2.gz LTUZPTVXLCLXFZ-FWVUHSSSSA-N 1 0 344.371 1.672 20 5 EDBDRO COc1ccc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000440438838 305206725 /nfs/dbraw/zinc/20/67/25/305206725.db2.gz NAQMZVXTAHTEIA-NSHDSACASA-N 1 0 341.389 1.118 20 5 EDBDRO C[C@@]1(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000440855773 305213489 /nfs/dbraw/zinc/21/34/89/305213489.db2.gz FZMBGMANFSEXHS-CQSZACIVSA-N 1 0 327.406 1.404 20 5 EDBDRO COC(=O)[C@H](O)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000441249744 305219744 /nfs/dbraw/zinc/21/97/44/305219744.db2.gz ZHCKTWFJIYNJIZ-OAHLLOKOSA-N 1 0 338.360 1.220 20 5 EDBDRO COCC[N@@H+](Cc1cccs1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441264604 305219840 /nfs/dbraw/zinc/21/98/40/305219840.db2.gz SFCYTOOOYXEYLG-CYBMUJFWSA-N 1 0 340.405 1.362 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000442144633 305226027 /nfs/dbraw/zinc/22/60/27/305226027.db2.gz IHLYAEQIZGJBDO-WCQYABFASA-N 1 0 334.376 1.441 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000442144630 305226085 /nfs/dbraw/zinc/22/60/85/305226085.db2.gz IHLYAEQIZGJBDO-DGCLKSJQSA-N 1 0 334.376 1.441 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000442144627 305226118 /nfs/dbraw/zinc/22/61/18/305226118.db2.gz IHLYAEQIZGJBDO-AAEUAGOBSA-N 1 0 334.376 1.441 20 5 EDBDRO COCCCN(C)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447531375 305281625 /nfs/dbraw/zinc/28/16/25/305281625.db2.gz PPGMIMDQNDAYED-LSDHHAIUSA-N 1 0 339.440 1.833 20 5 EDBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449731709 305318202 /nfs/dbraw/zinc/31/82/02/305318202.db2.gz WUZMUUUBJNALLM-XJKSGUPXSA-N 1 0 341.371 1.605 20 5 EDBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451247745 305335384 /nfs/dbraw/zinc/33/53/84/305335384.db2.gz ACOCZMKBUSPKQO-UKRRQHHQSA-N 1 0 333.388 1.577 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@H](O)C[C@H]3[C@@H]3CCCOC3)nc2c1 ZINC000451307094 305337991 /nfs/dbraw/zinc/33/79/91/305337991.db2.gz TZSQMQWLEZSIDU-KFNAQCHYSA-N 1 0 346.387 1.833 20 5 EDBDRO CCO[C@@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000452012825 305378293 /nfs/dbraw/zinc/37/82/93/305378293.db2.gz ILLBJXGIJPJRAI-HUUCEWRRSA-N 1 0 342.417 1.916 20 5 EDBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000452370854 305394081 /nfs/dbraw/zinc/39/40/81/305394081.db2.gz GSZJSJXTCWPNSR-GFCCVEGCSA-N 1 0 346.387 1.653 20 5 EDBDRO O=C1C[C@@H]([NH2+]C[C@H]2CCCCO2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000516978059 305745909 /nfs/dbraw/zinc/74/59/09/305745909.db2.gz ZFYSAQZURZHELR-ZIAGYGMSSA-N 1 0 333.344 1.385 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000548697011 306135360 /nfs/dbraw/zinc/13/53/60/306135360.db2.gz BTEWWGGWOUJUBY-ZDUSSCGKSA-N 1 0 341.433 1.974 20 5 EDBDRO C[C@H](CCNC(=O)c1c[nH]nc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000548955661 306142769 /nfs/dbraw/zinc/14/27/69/306142769.db2.gz MYDDLDYUJSBLER-GFCCVEGCSA-N 1 0 331.376 1.958 20 5 EDBDRO Cc1nn(Cc2ccc(C(=O)N[C@H](C)[C@H](C)[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000449588288 447377680 /nfs/dbraw/zinc/37/76/80/447377680.db2.gz IQRICGTTWCYGAJ-WDEREUQCSA-N 1 0 345.403 1.922 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000419762740 447399617 /nfs/dbraw/zinc/39/96/17/447399617.db2.gz SRHXJOXGOZYVRK-IAQYHMDHSA-N 1 0 348.403 1.105 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000008122578 441083279 /nfs/dbraw/zinc/08/32/79/441083279.db2.gz KYENOMIHYYGJIN-UHFFFAOYSA-N 1 0 342.355 1.961 20 5 EDBDRO CC[NH+](CC)CCNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000046230887 441093341 /nfs/dbraw/zinc/09/33/41/441093341.db2.gz UEMLSZJJCLFPEJ-UHFFFAOYSA-N 1 0 330.410 1.257 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc([N+](=O)[O-])c1 ZINC000057721160 441131395 /nfs/dbraw/zinc/13/13/95/441131395.db2.gz DELJFNLALHXSIH-LLVKDONJSA-N 1 0 349.387 1.984 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000104556558 441196935 /nfs/dbraw/zinc/19/69/35/441196935.db2.gz ABNYDJUAHMOKDM-UHFFFAOYSA-N 1 0 334.376 1.726 20 5 EDBDRO C[C@@H](CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[NH+]1CCCC1 ZINC000073079100 441291153 /nfs/dbraw/zinc/29/11/53/441291153.db2.gz HSTBUUYRLOSSBF-LBPRGKRZSA-N 1 0 349.387 1.509 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000050204189 441377814 /nfs/dbraw/zinc/37/78/14/441377814.db2.gz BECGHGDEOMOGRH-CQSZACIVSA-N 1 0 332.360 1.230 20 5 EDBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)C[NH+]1CCN(C)CC1 ZINC000074137638 441398600 /nfs/dbraw/zinc/39/86/00/441398600.db2.gz QEWMJSMBNXQWQM-CQSZACIVSA-N 1 0 334.420 1.137 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000050203992 441377603 /nfs/dbraw/zinc/37/76/03/441377603.db2.gz PVZGHACQLQKQSO-ZDUSSCGKSA-N 1 0 346.387 1.538 20 5 EDBDRO C[NH+](C)C1(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCCCC1 ZINC000074339076 441423395 /nfs/dbraw/zinc/42/33/95/441423395.db2.gz FGEOJKMMOCZGMY-UHFFFAOYSA-N 1 0 336.392 1.137 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000108332397 441446451 /nfs/dbraw/zinc/44/64/51/441446451.db2.gz WCSRGGOJTQIMTF-LBPRGKRZSA-N 1 0 349.387 1.843 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccccc1C[NH+](C)C ZINC000065836351 441489095 /nfs/dbraw/zinc/48/90/95/441489095.db2.gz QEVDVCQIQJSDGV-UHFFFAOYSA-N 1 0 331.376 1.478 20 5 EDBDRO C[C@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[N@H+](C)C1CC1 ZINC000111599702 441538383 /nfs/dbraw/zinc/53/83/83/441538383.db2.gz MMFZASWZROSHHB-SNVBAGLBSA-N 1 0 344.371 1.649 20 5 EDBDRO C[C@@H](O)[C@H]1CCC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000089928078 441598220 /nfs/dbraw/zinc/59/82/20/441598220.db2.gz GSOOISFFSWQJLU-OLZOCXBDSA-N 1 0 349.387 1.986 20 5 EDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(-n2cncn2)cc1 ZINC000090538609 441633980 /nfs/dbraw/zinc/63/39/80/441633980.db2.gz MZNZYSZXHDCPCI-LBPRGKRZSA-N 1 0 327.348 1.723 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000076673869 441674721 /nfs/dbraw/zinc/67/47/21/441674721.db2.gz JUTXXYZRMFTDTQ-CYBMUJFWSA-N 1 0 348.403 1.642 20 5 EDBDRO CN(CC[N@H+](C)CCn1ccc([N+](=O)[O-])n1)C(=O)OC(C)(C)C ZINC000091769456 441738897 /nfs/dbraw/zinc/73/88/97/441738897.db2.gz HAXBCMFLRQAAQP-UHFFFAOYSA-N 1 0 327.385 1.590 20 5 EDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000136828925 441726288 /nfs/dbraw/zinc/72/62/88/441726288.db2.gz BKDWUPCXETUPLI-AWEZNQCLSA-N 1 0 347.415 1.754 20 5 EDBDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc([N+](=O)[O-])o1 ZINC000160723404 441913653 /nfs/dbraw/zinc/91/36/53/441913653.db2.gz HEIMUZZCTXYHQF-STQMWFEESA-N 1 0 337.376 1.686 20 5 EDBDRO C[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC000174392376 441921025 /nfs/dbraw/zinc/92/10/25/441921025.db2.gz BNOJLMCSSQZJSR-CQSZACIVSA-N 1 0 349.435 1.278 20 5 EDBDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000144456637 441882824 /nfs/dbraw/zinc/88/28/24/441882824.db2.gz CLMLPHYBLHBEBO-HIFRSBDPSA-N 1 0 335.404 1.958 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000174184842 441899240 /nfs/dbraw/zinc/89/92/40/441899240.db2.gz QERAHJUATSJVGM-CQSZACIVSA-N 1 0 336.392 1.887 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120193354 442025755 /nfs/dbraw/zinc/02/57/55/442025755.db2.gz AIFICQIMPQFYHP-AWEZNQCLSA-N 1 0 349.435 1.969 20 5 EDBDRO Cn1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000161726345 442028796 /nfs/dbraw/zinc/02/87/96/442028796.db2.gz HWAZBUUWXNOIOZ-CHWSQXEVSA-N 1 0 343.387 1.995 20 5 EDBDRO C[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)C[NH+]1CCCCC1 ZINC000151281469 442037322 /nfs/dbraw/zinc/03/73/22/442037322.db2.gz JENVDRAERQNCCC-ZDUSSCGKSA-N 1 0 338.412 1.213 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000120534980 442090570 /nfs/dbraw/zinc/09/05/70/442090570.db2.gz KWURKPLPQJZXTL-OCCSQVGLSA-N 1 0 348.403 1.783 20 5 EDBDRO COC(=O)CC1([NH2+]Cc2c(F)cccc2[N+](=O)[O-])CCOCC1 ZINC000120391476 442062943 /nfs/dbraw/zinc/06/29/43/442062943.db2.gz XSCGZDOMSNCCSV-UHFFFAOYSA-N 1 0 326.324 1.936 20 5 EDBDRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000126408671 442109472 /nfs/dbraw/zinc/10/94/72/442109472.db2.gz OEOOXNHLCJXQIP-QMMMGPOBSA-N 1 0 328.166 1.791 20 5 EDBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2N)C[C@H](C)O1 ZINC000175846143 442133435 /nfs/dbraw/zinc/13/34/35/442133435.db2.gz VYBQWWARQYLFJG-TXEJJXNPSA-N 1 0 336.392 1.406 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000152117386 442167573 /nfs/dbraw/zinc/16/75/73/442167573.db2.gz OVDZLTCIMUXYPC-GFCCVEGCSA-N 1 0 331.380 1.666 20 5 EDBDRO Cc1nn(CCC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000120940860 442154687 /nfs/dbraw/zinc/15/46/87/442154687.db2.gz RUCVRAFSODLENL-SMDDNHRTSA-N 1 0 337.424 1.597 20 5 EDBDRO COC(=O)[C@@H](C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000152074274 442161191 /nfs/dbraw/zinc/16/11/91/442161191.db2.gz PLOJCFLSZOCMQM-SWLSCSKDSA-N 1 0 332.360 1.931 20 5 EDBDRO Cc1c(C(=O)N(C)CC[NH+](C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000176384462 442216412 /nfs/dbraw/zinc/21/64/12/442216412.db2.gz MFJMZZMDVUQCOQ-UHFFFAOYSA-N 1 0 332.364 1.118 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000127735242 442222812 /nfs/dbraw/zinc/22/28/12/442222812.db2.gz PKGCPDRKONGKSB-ZDUSSCGKSA-N 1 0 349.435 1.969 20 5 EDBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000152846622 442247370 /nfs/dbraw/zinc/24/73/70/442247370.db2.gz WBGMGWKXFDNEAC-CQSZACIVSA-N 1 0 341.433 1.746 20 5 EDBDRO COc1ccc(NC(=O)CC[NH+]2CCC(C)(O)CC2)c([N+](=O)[O-])c1 ZINC000177301867 442325982 /nfs/dbraw/zinc/32/59/82/442325982.db2.gz XLRAQIFVCZCYNA-UHFFFAOYSA-N 1 0 337.376 1.779 20 5 EDBDRO Cc1nn(CCC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000177503263 442350849 /nfs/dbraw/zinc/35/08/49/442350849.db2.gz MNMMBTUEIGQHNJ-ZIAGYGMSSA-N 1 0 337.424 1.787 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000132343790 442391725 /nfs/dbraw/zinc/39/17/25/442391725.db2.gz AVASVNVPRSQWQB-DTWKUNHWSA-N 1 0 333.797 1.606 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)n1 ZINC000191608283 442475437 /nfs/dbraw/zinc/47/54/37/442475437.db2.gz HSESFZZGQIREBU-CYBMUJFWSA-N 1 0 343.387 1.944 20 5 EDBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000178951085 442535763 /nfs/dbraw/zinc/53/57/63/442535763.db2.gz DNICVXYDSFOEPX-ZDUSSCGKSA-N 1 0 343.449 1.787 20 5 EDBDRO COC(=O)C[C@H]1CCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000179120351 442576166 /nfs/dbraw/zinc/57/61/66/442576166.db2.gz GRWWCWIZERLGPF-CYBMUJFWSA-N 1 0 347.371 1.511 20 5 EDBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180389407 442592765 /nfs/dbraw/zinc/59/27/65/442592765.db2.gz GNDKAVOXQZFBIU-LLVKDONJSA-N 1 0 335.360 1.928 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000186704413 442595914 /nfs/dbraw/zinc/59/59/14/442595914.db2.gz WDGCZQUFTDZGIH-NHYWBVRUSA-N 1 0 329.360 1.508 20 5 EDBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000187443740 442677153 /nfs/dbraw/zinc/67/71/53/442677153.db2.gz WJPZYYIQONWRPC-XHDPSFHLSA-N 1 0 348.403 1.818 20 5 EDBDRO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000187844152 442694632 /nfs/dbraw/zinc/69/46/32/442694632.db2.gz YVORVNMXHTZDFS-JKSUJKDBSA-N 1 0 349.387 1.342 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc([N+](=O)[O-])c1F ZINC000192921007 442698510 /nfs/dbraw/zinc/69/85/10/442698510.db2.gz WBAVFLPSUGMVPC-PHIMTYICSA-N 1 0 343.380 1.224 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000193174230 442720059 /nfs/dbraw/zinc/72/00/59/442720059.db2.gz QBMNLWQKPCBBCU-UHFFFAOYSA-N 1 0 345.421 1.470 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](CO)c1ccccc1 ZINC000182393763 442763372 /nfs/dbraw/zinc/76/33/72/442763372.db2.gz PBSFHXXALNEMOS-HUUCEWRRSA-N 1 0 332.356 1.658 20 5 EDBDRO C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000182965130 442856717 /nfs/dbraw/zinc/85/67/17/442856717.db2.gz MVHANBKGUDLETD-KRWDZBQOSA-N 1 0 336.436 1.198 20 5 EDBDRO COc1cc(OCC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000268177629 442885643 /nfs/dbraw/zinc/88/56/43/442885643.db2.gz KWJUSRXKMHKDDL-FZMZJTMJSA-N 1 0 349.387 1.581 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000248568916 442900856 /nfs/dbraw/zinc/90/08/56/442900856.db2.gz CGYITIACMRWTOM-CYZMBNFOSA-N 1 0 325.390 1.261 20 5 EDBDRO C[C@H](O)C[NH+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000189289385 442913672 /nfs/dbraw/zinc/91/36/72/442913672.db2.gz URMPRAHGILXXKZ-ZDUSSCGKSA-N 1 0 346.387 1.748 20 5 EDBDRO C[NH+](C)CCN1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265773018 442915691 /nfs/dbraw/zinc/91/56/91/442915691.db2.gz IQCWAWRHIVMVSQ-UHFFFAOYSA-N 1 0 348.447 1.578 20 5 EDBDRO COCCOCC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000268360503 442960722 /nfs/dbraw/zinc/96/07/22/442960722.db2.gz TXYBXGXOMBILRW-UHFFFAOYSA-N 1 0 348.403 1.957 20 5 EDBDRO Cc1ccoc1C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000266178783 443047143 /nfs/dbraw/zinc/04/71/43/443047143.db2.gz FUGHQBFNLZVLBS-UHFFFAOYSA-N 1 0 339.373 1.564 20 5 EDBDRO C[N@H+](CC1(O)CCOCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000189756484 443004406 /nfs/dbraw/zinc/00/44/06/443004406.db2.gz QDNNWQSGJYFDOB-OAHLLOKOSA-N 1 0 349.387 1.173 20 5 EDBDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000266212378 443060041 /nfs/dbraw/zinc/06/00/41/443060041.db2.gz QTAXJKPCTKKGMD-VIFPVBQESA-N 1 0 335.813 1.867 20 5 EDBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1 ZINC000297089287 318748620 /nfs/dbraw/zinc/74/86/20/318748620.db2.gz WMDJZKXWDWQOCB-LBPRGKRZSA-N 1 0 349.387 1.938 20 5 EDBDRO CCCC[C@H](COC)[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000268878648 443135590 /nfs/dbraw/zinc/13/55/90/443135590.db2.gz HSBJJDRNZYPNCY-VNQPRFMTSA-N 1 0 326.393 1.784 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000237508186 443174396 /nfs/dbraw/zinc/17/43/96/443174396.db2.gz ZXCZMGQRDMWVAW-GVXVVHGQSA-N 1 0 334.376 1.051 20 5 EDBDRO [NH3+][C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000237928953 443188361 /nfs/dbraw/zinc/18/83/61/443188361.db2.gz XORZQNXIHBCJEC-ZETCQYMHSA-N 1 0 339.295 1.335 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C[NH3+])C1 ZINC000236982316 443154439 /nfs/dbraw/zinc/15/44/39/443154439.db2.gz INUSNNCPYDLKHO-LLVKDONJSA-N 1 0 327.406 1.517 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000269104262 443198196 /nfs/dbraw/zinc/19/81/96/443198196.db2.gz IDECMLKBHLPTPU-NSHDSACASA-N 1 0 337.376 1.684 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000350391631 319048172 /nfs/dbraw/zinc/04/81/72/319048172.db2.gz NKUODNFCRTXDQK-DOMZBBRYSA-N 1 0 333.348 1.909 20 5 EDBDRO CCc1[nH]nc(-c2nc([C@H]3CN4CCCC[C@H]4CO3)no2)c1[N+](=O)[O-] ZINC000351220143 319097093 /nfs/dbraw/zinc/09/70/93/319097093.db2.gz QONCLAQBMVMDDC-GXSJLCMTSA-N 1 0 348.363 1.856 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C1(C[NH3+])CCC1 ZINC000385139706 319127525 /nfs/dbraw/zinc/12/75/25/319127525.db2.gz BIOBXFLLIKPVRQ-UHFFFAOYSA-N 1 0 329.378 1.105 20 5 EDBDRO C[NH+]1CCN(C[C@@H](O)COc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000414121966 319317552 /nfs/dbraw/zinc/31/75/52/319317552.db2.gz FPRIKZIFBWPMCH-LLVKDONJSA-N 1 0 329.784 1.235 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000415736338 319368237 /nfs/dbraw/zinc/36/82/37/319368237.db2.gz ZVFJVVHDKZZMQF-QGZVFWFLSA-N 1 0 346.387 1.444 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415871587 319380173 /nfs/dbraw/zinc/38/01/73/319380173.db2.gz QOHMEFFCOMYSSR-LBPRGKRZSA-N 1 0 334.376 1.408 20 5 EDBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000264385299 443272472 /nfs/dbraw/zinc/27/24/72/443272472.db2.gz GFDGGTFYFATAJB-ZDUSSCGKSA-N 1 0 335.408 1.165 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185961805 443291021 /nfs/dbraw/zinc/29/10/21/443291021.db2.gz UCNBFUNNAJDCBG-KRWDZBQOSA-N 1 0 348.403 1.962 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269481215 443320786 /nfs/dbraw/zinc/32/07/86/443320786.db2.gz VYZDSZJKIWWARI-UHFFFAOYSA-N 1 0 327.385 1.092 20 5 EDBDRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278461968 443339529 /nfs/dbraw/zinc/33/95/29/443339529.db2.gz MRAKQVBBTDAAQV-LBPRGKRZSA-N 1 0 332.408 1.909 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000264594299 443339954 /nfs/dbraw/zinc/33/99/54/443339954.db2.gz WQJMXORSQOZKNP-GFCCVEGCSA-N 1 0 332.360 1.527 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000419156470 319564143 /nfs/dbraw/zinc/56/41/43/319564143.db2.gz CATDUFLMGSKHCP-LNSITVRQSA-N 1 0 348.403 1.358 20 5 EDBDRO CN(CC[NH3+])c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000420290711 319609350 /nfs/dbraw/zinc/60/93/50/319609350.db2.gz VTZZMABTHFXNIS-UHFFFAOYSA-N 1 0 342.421 1.164 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420384641 319614014 /nfs/dbraw/zinc/61/40/14/319614014.db2.gz UJEOGEMVYYSTEO-QGZVFWFLSA-N 1 0 332.404 1.917 20 5 EDBDRO COc1cc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000267337150 443423489 /nfs/dbraw/zinc/42/34/89/443423489.db2.gz HKQKHVNUZLOUHC-ZDUSSCGKSA-N 1 0 349.387 1.398 20 5 EDBDRO CCS(=O)(=O)NCCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000272874756 443475281 /nfs/dbraw/zinc/47/52/81/443475281.db2.gz UEXCQGWCBGFNSQ-UHFFFAOYSA-N 1 0 338.389 1.803 20 5 EDBDRO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000267407436 443446413 /nfs/dbraw/zinc/44/64/13/443446413.db2.gz JXBYZFXBWLSUDR-LBPRGKRZSA-N 1 0 339.396 1.733 20 5 EDBDRO C[NH+]1CCN(CCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000267415088 443449443 /nfs/dbraw/zinc/44/94/43/443449443.db2.gz JRNCXOXPQPCIQP-UHFFFAOYSA-N 1 0 326.784 1.225 20 5 EDBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000264876834 443463033 /nfs/dbraw/zinc/46/30/33/443463033.db2.gz QCXOCNQDBNRZAR-SGMGOOAPSA-N 1 0 348.403 1.358 20 5 EDBDRO CC[NH+]1CCC(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000273020876 443520455 /nfs/dbraw/zinc/52/04/55/443520455.db2.gz SWOUPSHIUPRCCM-INIZCTEOSA-N 1 0 346.387 1.688 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000267686835 443540984 /nfs/dbraw/zinc/54/09/84/443540984.db2.gz QLRPDOYHXVNYPU-AAEUAGOBSA-N 1 0 341.433 1.775 20 5 EDBDRO C[N@H+]1C[C@H]2CN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)C[C@H]2C1 ZINC000279217800 443539684 /nfs/dbraw/zinc/53/96/84/443539684.db2.gz OWFZEUVGTLNXII-OKILXGFUSA-N 1 0 328.372 1.570 20 5 EDBDRO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000265203871 443569288 /nfs/dbraw/zinc/56/92/88/443569288.db2.gz BNTAYHQUDWMBTB-INIZCTEOSA-N 1 0 326.393 1.829 20 5 EDBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000272257262 443570699 /nfs/dbraw/zinc/57/06/99/443570699.db2.gz UMKGQSUQQKMPRE-MFKMUULPSA-N 1 0 345.396 1.613 20 5 EDBDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1O ZINC000272367024 443604997 /nfs/dbraw/zinc/60/49/97/443604997.db2.gz UABHGASHNOZHJJ-HIFRSBDPSA-N 1 0 335.404 1.923 20 5 EDBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435242118 320013012 /nfs/dbraw/zinc/01/30/12/320013012.db2.gz JNAJPMKNHJVBLC-CYBMUJFWSA-N 1 0 347.371 1.261 20 5 EDBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000440085165 320062386 /nfs/dbraw/zinc/06/23/86/320062386.db2.gz ZXHVVFDMYDAKDG-NSHDSACASA-N 1 0 345.421 1.612 20 5 EDBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000440097071 320062789 /nfs/dbraw/zinc/06/27/89/320062789.db2.gz MIMAIWWKHMDIBI-NSHDSACASA-N 1 0 345.421 1.612 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000440835116 320082318 /nfs/dbraw/zinc/08/23/18/320082318.db2.gz UDLUBWPRRMQJSX-BDAKNGLRSA-N 1 0 347.368 1.100 20 5 EDBDRO CCCc1n[nH]c(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000449199006 320178119 /nfs/dbraw/zinc/17/81/19/320178119.db2.gz DYBSQVCVUMDDOM-NEPJUHHUSA-N 1 0 335.408 1.732 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000449723826 320202159 /nfs/dbraw/zinc/20/21/59/320202159.db2.gz MJFXLEQPSOMYME-NEPJUHHUSA-N 1 0 329.360 1.638 20 5 EDBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000450387851 320218553 /nfs/dbraw/zinc/21/85/53/320218553.db2.gz KAAMEAJACCDFAS-HZPDHXFCSA-N 1 0 344.371 1.671 20 5 EDBDRO Cc1c(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000454113647 320285353 /nfs/dbraw/zinc/28/53/53/320285353.db2.gz WGXIJRCCIACCDJ-ZDUSSCGKSA-N 1 0 348.403 1.783 20 5 EDBDRO C[C@@H](C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O)C(=O)OC(C)(C)C ZINC000459813410 320349942 /nfs/dbraw/zinc/34/99/42/320349942.db2.gz SQLTYYVGWQJJAJ-LBPRGKRZSA-N 1 0 339.392 1.666 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000290938696 443716325 /nfs/dbraw/zinc/71/63/25/443716325.db2.gz ZNFZUJOLVZCBKD-UHFFFAOYSA-N 1 0 348.403 1.696 20 5 EDBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1cccs1 ZINC000298334877 443748786 /nfs/dbraw/zinc/74/87/86/443748786.db2.gz XWQROKITFDVOMI-LLVKDONJSA-N 1 0 335.389 1.865 20 5 EDBDRO COCC[NH+]1CCC(Nc2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000276589716 443757991 /nfs/dbraw/zinc/75/79/91/443757991.db2.gz PWBDLDKBNRCBLT-UHFFFAOYSA-N 1 0 338.364 1.299 20 5 EDBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000276612267 443765229 /nfs/dbraw/zinc/76/52/29/443765229.db2.gz SUBOQDLFWQPKTB-FRRDWIJNSA-N 1 0 340.376 1.512 20 5 EDBDRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000288312510 443841043 /nfs/dbraw/zinc/84/10/43/443841043.db2.gz XALWBMQULKFBHQ-QMMMGPOBSA-N 1 0 328.756 1.253 20 5 EDBDRO Cn1nccc1[C@H]1[C@H](CNc2ncc([N+](=O)[O-])c(N)n2)CCC[N@@H+]1C ZINC000285060399 443841105 /nfs/dbraw/zinc/84/11/05/443841105.db2.gz XAHIMLHRNNNRJZ-GXFFZTMASA-N 1 0 346.395 1.196 20 5 EDBDRO CCN1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[C@@H](C)C1 ZINC000298896315 443895710 /nfs/dbraw/zinc/89/57/10/443895710.db2.gz LZQJJMZSQPTWEF-ZDUSSCGKSA-N 1 0 348.403 1.703 20 5 EDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)CNc2ccccc2[N+](=O)[O-])[N@H+](C)C1 ZINC000285136502 443869125 /nfs/dbraw/zinc/86/91/25/443869125.db2.gz WRDTVRSAAJGMPV-STQMWFEESA-N 1 0 336.392 1.184 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC000298823752 443877802 /nfs/dbraw/zinc/87/78/02/443877802.db2.gz QPQFOJBMUOPJPP-OLZOCXBDSA-N 1 0 343.380 1.639 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293019235 443904301 /nfs/dbraw/zinc/90/43/01/443904301.db2.gz FGQWXFHGMNWGPG-UHFFFAOYSA-N 1 0 349.309 1.922 20 5 EDBDRO COc1ccc(CN2CC[C@@](O)(c3nc(C)no3)C2)cc1[N+](=O)[O-] ZINC000277483218 443991504 /nfs/dbraw/zinc/99/15/04/443991504.db2.gz QONQHUWOEUVVRO-HNNXBMFYSA-N 1 0 334.332 1.388 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000293370968 443997949 /nfs/dbraw/zinc/99/79/49/443997949.db2.gz ZGBGFVYZOMWYRK-KRWDZBQOSA-N 1 0 346.387 1.396 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000281973860 444052278 /nfs/dbraw/zinc/05/22/78/444052278.db2.gz OBTFEXNOLLXVTD-CHWSQXEVSA-N 1 0 348.403 1.301 20 5 EDBDRO C[N@@H+]1CCN(CCNC(=O)NCc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000281850014 444022955 /nfs/dbraw/zinc/02/29/55/444022955.db2.gz NMDLCAOTZRLLCQ-UHFFFAOYSA-N 1 0 349.435 1.420 20 5 EDBDRO Cc1n[nH]c(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000299506813 444066102 /nfs/dbraw/zinc/06/61/02/444066102.db2.gz FBZXSOJRPHHIME-LLVKDONJSA-N 1 0 343.387 1.803 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2cccc(O)c2)c1 ZINC000564852921 321151385 /nfs/dbraw/zinc/15/13/85/321151385.db2.gz USGJWYHSYAJFJG-MRXNPFEDSA-N 1 0 332.356 1.872 20 5 EDBDRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000565370926 321184543 /nfs/dbraw/zinc/18/45/43/321184543.db2.gz ALTOOBURAIZBDS-UHFFFAOYSA-N 1 0 339.417 1.628 20 5 EDBDRO CSc1ccc(F)cc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000566110231 321215946 /nfs/dbraw/zinc/21/59/46/321215946.db2.gz HYKXHOJERJJXHP-CYBMUJFWSA-N 1 0 340.380 1.803 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000566215400 321223115 /nfs/dbraw/zinc/22/31/15/321223115.db2.gz JBGQGEGSLRUJJF-GFCCVEGCSA-N 1 0 327.406 1.571 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2(CF)CCOCC2)c1 ZINC000567696721 321253788 /nfs/dbraw/zinc/25/37/88/321253788.db2.gz GJELYFJRRUDWOM-CQSZACIVSA-N 1 0 342.367 1.690 20 5 EDBDRO [NH3+]CC1(O)CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000567841654 321261898 /nfs/dbraw/zinc/26/18/98/321261898.db2.gz LCVIXDRTJUWOAK-UHFFFAOYSA-N 1 0 330.344 1.069 20 5 EDBDRO CC[NH+]1CCC(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000571546750 321390932 /nfs/dbraw/zinc/39/09/32/321390932.db2.gz QAPPDMGGGYDXIW-UHFFFAOYSA-N 1 0 341.433 1.913 20 5 EDBDRO COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)[NH+](C)C)cc1 ZINC000301075423 444142982 /nfs/dbraw/zinc/14/29/82/444142982.db2.gz HBRBWCYQSPKRSK-GFCCVEGCSA-N 1 0 332.364 1.690 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2cc[nH+]cc2)CC1 ZINC000301126828 444147733 /nfs/dbraw/zinc/14/77/33/444147733.db2.gz WPZRUWGCMSORNK-UHFFFAOYSA-N 1 0 341.371 1.676 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000301342615 444165248 /nfs/dbraw/zinc/16/52/48/444165248.db2.gz FQCCGVUKGREECP-UHFFFAOYSA-N 1 0 348.403 1.385 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000289879313 444214662 /nfs/dbraw/zinc/21/46/62/444214662.db2.gz SHBQSRKJTMAKSZ-ZDUSSCGKSA-N 1 0 349.435 1.915 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000301576262 444180575 /nfs/dbraw/zinc/18/05/75/444180575.db2.gz MHGPNKUEQCSBSA-NEPJUHHUSA-N 1 0 331.376 1.887 20 5 EDBDRO C[C@H](O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289622619 444182330 /nfs/dbraw/zinc/18/23/30/444182330.db2.gz WJWAZFFRBJLRTP-ZETCQYMHSA-N 1 0 336.129 1.670 20 5 EDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC000301658092 444183632 /nfs/dbraw/zinc/18/36/32/444183632.db2.gz LQUYZUQIGVWDFR-GHMZBOCLSA-N 1 0 343.181 1.272 20 5 EDBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000301827225 444192512 /nfs/dbraw/zinc/19/25/12/444192512.db2.gz PMFFNYZGLBYMNK-OAHLLOKOSA-N 1 0 336.367 1.652 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000301954630 444198206 /nfs/dbraw/zinc/19/82/06/444198206.db2.gz KIIMCCORFOCHJD-INIZCTEOSA-N 1 0 332.404 1.822 20 5 EDBDRO Cc1cc(N2CCN(C(=O)[C@H](C)O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302083203 444203774 /nfs/dbraw/zinc/20/37/74/444203774.db2.gz MHNCMXISHZSHNN-LBPRGKRZSA-N 1 0 344.371 1.481 20 5 EDBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000290237489 444257595 /nfs/dbraw/zinc/25/75/95/444257595.db2.gz WLPKBXIDUKZLDH-UHFFFAOYSA-N 1 0 337.424 1.906 20 5 EDBDRO CC[C@H](CO)[NH+]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000305157670 444261682 /nfs/dbraw/zinc/26/16/82/444261682.db2.gz ANSLLNSFRGDSJZ-LQYUOIDQSA-N 1 0 333.388 1.523 20 5 EDBDRO CC(C)N1CC(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000297044115 444270320 /nfs/dbraw/zinc/27/03/20/444270320.db2.gz JRNRXNJLOFFYHT-UHFFFAOYSA-N 1 0 329.360 1.603 20 5 EDBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000290107669 444243523 /nfs/dbraw/zinc/24/35/23/444243523.db2.gz LMFGPCGBNDBEQF-UHFFFAOYSA-N 1 0 328.438 1.612 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000318222896 444318445 /nfs/dbraw/zinc/31/84/45/444318445.db2.gz ILJNVKXCHSIIHZ-WCQYABFASA-N 1 0 325.390 1.276 20 5 EDBDRO COC(=O)c1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc([N+](=O)[O-])c1 ZINC000297161242 444276915 /nfs/dbraw/zinc/27/69/15/444276915.db2.gz WAUVHGPRERGSKE-AGUYFDCRSA-N 1 0 347.371 1.736 20 5 EDBDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000297900226 444353158 /nfs/dbraw/zinc/35/31/58/444353158.db2.gz OVZVGQGXIFBHNH-UHFFFAOYSA-N 1 0 336.392 1.690 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000324370924 444354733 /nfs/dbraw/zinc/35/47/33/444354733.db2.gz XKXAFXYIVPRFFV-WFASDCNBSA-N 1 0 339.417 1.653 20 5 EDBDRO COc1cc(C(=O)N(C)[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000326903522 444379546 /nfs/dbraw/zinc/37/95/46/444379546.db2.gz LBDKLNWVMAKRCK-NSHDSACASA-N 1 0 337.376 1.826 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000298021120 444389010 /nfs/dbraw/zinc/38/90/10/444389010.db2.gz AGXMKPSQOQBMOV-CQSZACIVSA-N 1 0 348.403 1.784 20 5 EDBDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000331196346 444439571 /nfs/dbraw/zinc/43/95/71/444439571.db2.gz SDNVJKBUOQSPOI-CABCVRRESA-N 1 0 341.433 1.587 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000580419686 322047921 /nfs/dbraw/zinc/04/79/21/322047921.db2.gz NTMXGLARNDOWHV-QGZVFWFLSA-N 1 0 348.403 1.889 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCC[NH2+]C(C)C ZINC000581069099 322132008 /nfs/dbraw/zinc/13/20/08/322132008.db2.gz AFMCQKYEWDPGSO-LBPRGKRZSA-N 1 0 340.428 1.332 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]C2(C)C)cc1OC ZINC000581351017 322166599 /nfs/dbraw/zinc/16/65/99/322166599.db2.gz TXUKLRYKDVQFHG-AWEZNQCLSA-N 1 0 337.376 1.872 20 5 EDBDRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000342183209 444552369 /nfs/dbraw/zinc/55/23/69/444552369.db2.gz BFDZQGNBPDADAY-LLVKDONJSA-N 1 0 348.450 1.017 20 5 EDBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000341001488 444624221 /nfs/dbraw/zinc/62/42/21/444624221.db2.gz LJWSQQKNYQITPG-ZDUSSCGKSA-N 1 0 346.387 1.068 20 5 EDBDRO COC(=O)c1cc(C)nc(NC[C@H](CC(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000341359772 444794305 /nfs/dbraw/zinc/79/43/05/444794305.db2.gz MLAXFMIDXRWVPO-LBPRGKRZSA-N 1 0 338.408 2.473 20 5 EDBDRO C[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000338671236 444801941 /nfs/dbraw/zinc/80/19/41/444801941.db2.gz BRFYSAUNASLNOH-CHWSQXEVSA-N 1 0 337.424 1.763 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000342769030 444857917 /nfs/dbraw/zinc/85/79/17/444857917.db2.gz MODSYJYEDCIZGQ-UHFFFAOYSA-N 1 0 348.403 1.642 20 5 EDBDRO CC1(C)CN(CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCO1 ZINC000342897804 444927184 /nfs/dbraw/zinc/92/71/84/444927184.db2.gz FNLMOHFUQUBSOD-UHFFFAOYSA-N 1 0 346.387 1.917 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 ZINC000339382994 445135555 /nfs/dbraw/zinc/13/55/55/445135555.db2.gz UEHKCABWXIOCEI-HOTGVXAUSA-N 1 0 345.403 1.766 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000345560890 445191308 /nfs/dbraw/zinc/19/13/08/445191308.db2.gz HPOUQWBPTFDDMF-LBPRGKRZSA-N 1 0 345.359 1.966 20 5 EDBDRO C[C@@H]1[C@@H](Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CCC[N@@H+]1C ZINC000343506440 445235754 /nfs/dbraw/zinc/23/57/54/445235754.db2.gz HEAWVHIZRGYNBM-KOLCDFICSA-N 1 0 328.394 1.137 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCC[NH+]2CCCC2)c1 ZINC000351792911 445324042 /nfs/dbraw/zinc/32/40/42/445324042.db2.gz SAYPKZAFCHQBBF-UHFFFAOYSA-N 1 0 341.433 1.976 20 5 EDBDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000348527165 445315000 /nfs/dbraw/zinc/31/50/00/445315000.db2.gz HWGAOOZXKRLWAQ-ZYHUDNBSSA-N 1 0 345.359 1.731 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000348216637 445319274 /nfs/dbraw/zinc/31/92/74/445319274.db2.gz PAQAGDLNSBAZEH-AWEZNQCLSA-N 1 0 348.403 1.710 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351862455 445346494 /nfs/dbraw/zinc/34/64/94/445346494.db2.gz PAKQUUAPMIRBQJ-RYUDHWBXSA-N 1 0 336.392 1.601 20 5 EDBDRO Cc1nc(C(C)(C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)sc1C ZINC000362416386 445370662 /nfs/dbraw/zinc/37/06/62/445370662.db2.gz QOKMBEAYLOKWQX-LBPRGKRZSA-N 1 0 339.421 1.750 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000357090405 445421446 /nfs/dbraw/zinc/42/14/46/445421446.db2.gz VJYAWAHSDLJAIO-NWDGAFQWSA-N 1 0 334.376 1.083 20 5 EDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000352013731 445438123 /nfs/dbraw/zinc/43/81/23/445438123.db2.gz KHESCISAJDFQNU-NWDGAFQWSA-N 1 0 349.387 1.460 20 5 EDBDRO CCCN1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000357135640 445447678 /nfs/dbraw/zinc/44/76/78/445447678.db2.gz SCPPUZRUAPMSSB-UHFFFAOYSA-N 1 0 337.376 1.780 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](CO)c1ccsc1 ZINC000352032099 445450681 /nfs/dbraw/zinc/45/06/81/445450681.db2.gz JIQBPNUXIWUTQG-OLZOCXBDSA-N 1 0 338.385 1.719 20 5 EDBDRO Nc1nc(-n2cccn2)cc(NCCc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000357253701 445509314 /nfs/dbraw/zinc/50/93/14/445509314.db2.gz DGDAHPGXKRNQRM-UHFFFAOYSA-N 1 0 325.332 1.807 20 5 EDBDRO NC(=O)c1ccc(N2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000362740847 445526676 /nfs/dbraw/zinc/52/66/76/445526676.db2.gz HZIFWVOZCAIJHC-KGLIPLIRSA-N 1 0 348.403 1.119 20 5 EDBDRO C[NH+](C)[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@@H]1O ZINC000359952389 445502135 /nfs/dbraw/zinc/50/21/35/445502135.db2.gz LZWTVPMMDSZMCO-CABCVRRESA-N 1 0 328.372 1.768 20 5 EDBDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])c1ccccc1O2 ZINC000360130008 445584111 /nfs/dbraw/zinc/58/41/11/445584111.db2.gz NPXVOHXYBMTYPU-ILXRZTDVSA-N 1 0 345.399 1.756 20 5 EDBDRO Cc1c(CC(=O)N2CC[C@H]([N@H+](C)CCO)[C@H]2C)cccc1[N+](=O)[O-] ZINC000356089195 445612870 /nfs/dbraw/zinc/61/28/70/445612870.db2.gz UGJPYSLMXOFVTG-CJNGLKHVSA-N 1 0 335.404 1.359 20 5 EDBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000357971253 445596657 /nfs/dbraw/zinc/59/66/57/445596657.db2.gz HHVXTHYTYCZUDC-ZDUSSCGKSA-N 1 0 346.387 1.736 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000349801263 445682413 /nfs/dbraw/zinc/68/24/13/445682413.db2.gz OASGHMDSAFMVMS-LBPRGKRZSA-N 1 0 329.422 1.910 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000353767796 445745714 /nfs/dbraw/zinc/74/57/14/445745714.db2.gz MVYKTLDMKDYWBX-CYBMUJFWSA-N 1 0 326.349 1.253 20 5 EDBDRO [NH3+]CCc1nc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cs1 ZINC000358775712 445768822 /nfs/dbraw/zinc/76/88/22/445768822.db2.gz UARUDBSMWFCOTR-UHFFFAOYSA-N 1 0 335.389 1.394 20 5 EDBDRO CCc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)[NH+](C)C)cc1 ZINC000356498293 445823374 /nfs/dbraw/zinc/82/33/74/445823374.db2.gz QAPJEZXLKOUTGC-OAHLLOKOSA-N 1 0 345.403 1.923 20 5 EDBDRO C[C@@H]1CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1[NH+](C)C ZINC000358837409 445802670 /nfs/dbraw/zinc/80/26/70/445802670.db2.gz XRFPWSLOVAGVFP-IUODEOHRSA-N 1 0 348.403 1.775 20 5 EDBDRO O=c1[nH]c(N2CC[C@H]3C[NH2+]C[C@H]3CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000582231803 325803517 /nfs/dbraw/zinc/80/35/17/325803517.db2.gz DPDMKECYKUMADI-PHIMTYICSA-N 1 0 329.360 1.679 20 5 EDBDRO COC(=O)[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000373185370 446085223 /nfs/dbraw/zinc/08/52/23/446085223.db2.gz ZPCRCTHUJBREMC-GJZGRUSLSA-N 1 0 334.372 1.903 20 5 EDBDRO O=[N+]([O-])c1ccccc1OCCN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000361941718 446090111 /nfs/dbraw/zinc/09/01/11/446090111.db2.gz SWZHBELUJZTZIZ-HOCLYGCPSA-N 1 0 335.404 1.505 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(NC[C@]2(N3CCOCC3)CCCOC2)n1 ZINC000366241994 446102324 /nfs/dbraw/zinc/10/23/24/446102324.db2.gz UAKYKCIYQRVWHO-MRXNPFEDSA-N 1 0 336.392 1.592 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000369854521 446160419 /nfs/dbraw/zinc/16/04/19/446160419.db2.gz XPEZPGDIFUNGAS-CABCVRRESA-N 1 0 347.350 1.192 20 5 EDBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000365349445 446163413 /nfs/dbraw/zinc/16/34/13/446163413.db2.gz PMWKXUFGISYQLC-MRXNPFEDSA-N 1 0 347.419 1.839 20 5 EDBDRO COC[C@]1(CNC(=O)NCc2cccc([N+](=O)[O-])c2C)CCC[NH2+]1 ZINC000418082241 446434167 /nfs/dbraw/zinc/43/41/67/446434167.db2.gz POSFUKSDFUKKNS-MRXNPFEDSA-N 1 0 336.392 1.471 20 5 EDBDRO C[C@@H]([NH3+])[C@@H](C)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000420265811 446439453 /nfs/dbraw/zinc/43/94/53/446439453.db2.gz QCSXFNUUSGZBFX-RKDXNWHRSA-N 1 0 337.767 1.942 20 5 EDBDRO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000420268866 446441558 /nfs/dbraw/zinc/44/15/58/446441558.db2.gz AUIRVRLBZJREPL-HZNSRWLBSA-N 1 0 340.405 1.170 20 5 EDBDRO C[C@@]1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000366896735 446402368 /nfs/dbraw/zinc/40/23/68/446402368.db2.gz NKVMAECRNIXZAK-KRWDZBQOSA-N 1 0 343.387 1.960 20 5 EDBDRO O=C1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2(CCC2)N1 ZINC000367033099 446478091 /nfs/dbraw/zinc/47/80/91/446478091.db2.gz HOVPGDGMRXKYTQ-CQSZACIVSA-N 1 0 347.371 1.752 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000376407457 446479865 /nfs/dbraw/zinc/47/98/65/446479865.db2.gz MLQAGKDICPBRKX-JFIYKMOQSA-N 1 0 329.400 1.776 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000411363830 446507694 /nfs/dbraw/zinc/50/76/94/446507694.db2.gz UQECBRQLDVEQLB-STQMWFEESA-N 1 0 348.403 1.749 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000367069683 446500975 /nfs/dbraw/zinc/50/09/75/446500975.db2.gz XWNNIOSKDDMHAG-AAEUAGOBSA-N 1 0 331.369 1.056 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000411404974 446522705 /nfs/dbraw/zinc/52/27/05/446522705.db2.gz XYWCGSVOQFWULV-CQSZACIVSA-N 1 0 346.387 1.537 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000433155163 446538673 /nfs/dbraw/zinc/53/86/73/446538673.db2.gz CWMZKAWZHSVIEZ-NTZNESFSSA-N 1 0 337.376 1.945 20 5 EDBDRO CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418447756 446545335 /nfs/dbraw/zinc/54/53/35/446545335.db2.gz QWLGDEFXMNWSJB-CQSZACIVSA-N 1 0 349.435 1.800 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420380324 446557439 /nfs/dbraw/zinc/55/74/39/446557439.db2.gz NUSCNCXJWKUSAN-NWDGAFQWSA-N 1 0 336.392 1.459 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC[NH2+]1 ZINC000423623337 446612181 /nfs/dbraw/zinc/61/21/81/446612181.db2.gz OGFZSFATTWAKRH-CHWSQXEVSA-N 1 0 348.403 1.302 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000420412782 446585895 /nfs/dbraw/zinc/58/58/95/446585895.db2.gz CECWSLLBJAWEBK-HNNXBMFYSA-N 1 0 339.417 1.153 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000420414645 446587689 /nfs/dbraw/zinc/58/76/89/446587689.db2.gz FLNSRURLUPRCFH-NWDGAFQWSA-N 1 0 327.406 1.760 20 5 EDBDRO C[C@@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000420472128 446648287 /nfs/dbraw/zinc/64/82/87/446648287.db2.gz BRNRBDAURFUVSL-YPMHNXCESA-N 1 0 327.406 1.341 20 5 EDBDRO O=C(CC[N@@H+]1CCC[C@H]1Cn1ccnn1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411698011 446652197 /nfs/dbraw/zinc/65/21/97/446652197.db2.gz LTLRREDIHWNXCZ-HNNXBMFYSA-N 1 0 344.375 1.680 20 5 EDBDRO O=C(COC1CC[NH2+]CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423718116 446657423 /nfs/dbraw/zinc/65/74/23/446657423.db2.gz BZBWYBTVDJQKCS-UHFFFAOYSA-N 1 0 333.388 1.854 20 5 EDBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420455671 446634089 /nfs/dbraw/zinc/63/40/89/446634089.db2.gz NMNMGIFDDHLEJI-CYBMUJFWSA-N 1 0 329.422 1.574 20 5 EDBDRO C[NH2+][C@@H](C)CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418652149 446634522 /nfs/dbraw/zinc/63/45/22/446634522.db2.gz ZXTRJNDSONSZCF-LBPRGKRZSA-N 1 0 336.392 1.756 20 5 EDBDRO C[C@H](NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000418778940 446696801 /nfs/dbraw/zinc/69/68/01/446696801.db2.gz JIDBVDPRBUTXRR-QWHCGFSZSA-N 1 0 348.403 1.359 20 5 EDBDRO C[N@@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000371270172 446730381 /nfs/dbraw/zinc/73/03/81/446730381.db2.gz YCWMOKHHUVWZRW-ZBFHGGJFSA-N 1 0 326.356 1.817 20 5 EDBDRO CN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H](C[NH3+])C1CC1 ZINC000423966261 446799066 /nfs/dbraw/zinc/79/90/66/446799066.db2.gz YUCGGTAIEQNYAP-ZDUSSCGKSA-N 1 0 335.360 1.104 20 5 EDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000368310617 446778544 /nfs/dbraw/zinc/77/85/44/446778544.db2.gz QEZIMNAVQMJCDS-LEWSCRJBSA-N 1 0 331.376 1.128 20 5 EDBDRO COc1cc(C(=O)N[C@@H](C[NH3+])C2CCCC2)cc([N+](=O)[O-])c1OC ZINC000423966591 446800755 /nfs/dbraw/zinc/80/07/55/446800755.db2.gz SDOPTXQEKIVMQQ-LBPRGKRZSA-N 1 0 337.376 1.859 20 5 EDBDRO C[N@H+](C[C@@H]1CC12CCN(c1ncc([N+](=O)[O-])c(N)n1)CC2)C1CC1 ZINC000371338745 446788578 /nfs/dbraw/zinc/78/85/78/446788578.db2.gz HHLOFUPEBILENB-NSHDSACASA-N 1 0 332.408 1.668 20 5 EDBDRO COc1cc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000423946269 446793065 /nfs/dbraw/zinc/79/30/65/446793065.db2.gz INHQELNSDOLBJJ-IONNQARKSA-N 1 0 345.302 1.624 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)cc([N+](=O)[O-])c1 ZINC000423951809 446795091 /nfs/dbraw/zinc/79/50/91/446795091.db2.gz PCYVJFCDXURDAT-AWEZNQCLSA-N 1 0 335.360 1.581 20 5 EDBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368372787 446817485 /nfs/dbraw/zinc/81/74/85/446817485.db2.gz BXDHFMQXHSSHOT-XHDPSFHLSA-N 1 0 327.344 1.214 20 5 EDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000368378511 446824694 /nfs/dbraw/zinc/82/46/94/446824694.db2.gz OQLMNMXJNNLUJO-QWRGUYRKSA-N 1 0 333.323 1.210 20 5 EDBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000412068217 446828781 /nfs/dbraw/zinc/82/87/81/446828781.db2.gz HZKODXDQZFVHCD-MELADBBJSA-N 1 0 340.424 1.724 20 5 EDBDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000368419088 446850640 /nfs/dbraw/zinc/85/06/40/446850640.db2.gz ZYJYWCJJBLGGBC-HZSPNIEDSA-N 1 0 337.424 1.307 20 5 EDBDRO C[C@@H]1C[C@H](C)N(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000424076033 446841656 /nfs/dbraw/zinc/84/16/56/446841656.db2.gz PXJZQELJRXYXHE-OUAUKWLOSA-N 1 0 331.376 1.917 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000442295916 446888511 /nfs/dbraw/zinc/88/85/11/446888511.db2.gz SVBBVIMYPSWWMF-OLZOCXBDSA-N 1 0 348.403 1.701 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)CC[N@H+](C)C2CC2)c1F ZINC000412256507 446913252 /nfs/dbraw/zinc/91/32/52/446913252.db2.gz MADOPRAXABZTDQ-UHFFFAOYSA-N 1 0 339.367 1.838 20 5 EDBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000442618284 446916050 /nfs/dbraw/zinc/91/60/50/446916050.db2.gz JYFOCZJRIIEZHD-CYBMUJFWSA-N 1 0 343.387 1.982 20 5 EDBDRO Cc1ccc(N2CCN(C[C@H]3CN(C)CCO3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000371826777 446967226 /nfs/dbraw/zinc/96/72/26/446967226.db2.gz MRCXLLPFDRAFDY-JKSUJKDBSA-N 1 0 348.447 1.744 20 5 EDBDRO CCc1n[nH]c(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000372086970 446994542 /nfs/dbraw/zinc/99/45/42/446994542.db2.gz UWUYVHNMMIDYSJ-NSHDSACASA-N 1 0 335.408 1.969 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@]12CCOC2 ZINC000421026414 446996335 /nfs/dbraw/zinc/99/63/35/446996335.db2.gz SOGWJFOQGFGLDU-MRXNPFEDSA-N 1 0 335.360 1.797 20 5 EDBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000375889988 447124866 /nfs/dbraw/zinc/12/48/66/447124866.db2.gz JTLDRZMDSOXROF-JKSUJKDBSA-N 1 0 343.387 1.395 20 5 EDBDRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000377477752 447152026 /nfs/dbraw/zinc/15/20/26/447152026.db2.gz OGBJXIVXDXNDOH-HIFRSBDPSA-N 1 0 346.387 1.068 20 5 EDBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000372731210 447252121 /nfs/dbraw/zinc/25/21/21/447252121.db2.gz ZXHBXKVODNBZQF-LHRNQBEKSA-N 1 0 333.388 1.523 20 5 EDBDRO O=C(C[NH2+][C@H]1CCO[C@H]1C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000372806091 447294425 /nfs/dbraw/zinc/29/44/25/447294425.db2.gz PBOJIALUKPBQSH-YOEHRIQHSA-N 1 0 331.372 1.641 20 5 EDBDRO COc1cccc(N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000420147852 447636841 /nfs/dbraw/zinc/63/68/41/447636841.db2.gz DRRHTPSPYZWQDS-CYBMUJFWSA-N 1 0 348.403 1.252 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422553578 447640014 /nfs/dbraw/zinc/64/00/14/447640014.db2.gz KFNFCQALCXTXHR-UHFFFAOYSA-N 1 0 325.390 1.253 20 5 EDBDRO CC(C)(CC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000422555009 447641618 /nfs/dbraw/zinc/64/16/18/447641618.db2.gz ZEMVUSKTEBEHSZ-UHFFFAOYSA-N 1 0 338.389 1.549 20 5 EDBDRO O=[N+]([O-])c1ccc(NCCCN2CC[NH2+]CC2)c(OC(F)F)c1 ZINC000420111214 447608969 /nfs/dbraw/zinc/60/89/69/447608969.db2.gz GDZLTTWHZZCPDB-UHFFFAOYSA-N 1 0 330.335 1.903 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000416568411 447650085 /nfs/dbraw/zinc/65/00/85/447650085.db2.gz XCBZDBKZEGPFAK-CYBMUJFWSA-N 1 0 341.433 1.913 20 5 EDBDRO COC(=O)c1cc(C)nc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1[N+](=O)[O-] ZINC000420222171 447676195 /nfs/dbraw/zinc/67/61/95/447676195.db2.gz VVBQQOPHXUQPTC-FOSCPWQOSA-N 1 0 334.376 1.804 20 5 EDBDRO Cn1ccnc1C(=O)c1ccc(N2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420233672 447680207 /nfs/dbraw/zinc/68/02/07/447680207.db2.gz AIKHTSYQXQAYQL-KRWDZBQOSA-N 1 0 343.387 1.734 20 5 EDBDRO CCC[C@H]1C[NH2+]CCN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420234613 447682105 /nfs/dbraw/zinc/68/21/05/447682105.db2.gz OCWXHTWPFZWTMQ-VIFPVBQESA-N 1 0 333.435 1.638 20 5 EDBDRO C[C@H]([NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000451102175 447683713 /nfs/dbraw/zinc/68/37/13/447683713.db2.gz BJYJORNDDDINBP-VWPFQQQWSA-N 1 0 337.420 1.716 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCC4(CC[NH2+]4)CC3)n2)c1 ZINC000422640049 447684319 /nfs/dbraw/zinc/68/43/19/447684319.db2.gz URMAKLXQUFYHKA-UHFFFAOYSA-N 1 0 329.360 1.973 20 5 EDBDRO Cc1nn(Cc2ccc(C(=O)NCC[C@@H](C)[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000429041346 447724119 /nfs/dbraw/zinc/72/41/19/447724119.db2.gz AOWLDXVLGLJKSC-LLVKDONJSA-N 1 0 345.403 1.924 20 5 EDBDRO Cc1nn(Cc2ccc(C(=O)NCC[C@H](C)[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000429041347 447724131 /nfs/dbraw/zinc/72/41/31/447724131.db2.gz AOWLDXVLGLJKSC-NSHDSACASA-N 1 0 345.403 1.924 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000422728082 447731215 /nfs/dbraw/zinc/73/12/15/447731215.db2.gz DXZMRCOWQQMOIK-YGRLFVJLSA-N 1 0 335.360 1.723 20 5 EDBDRO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000451868350 447769100 /nfs/dbraw/zinc/76/91/00/447769100.db2.gz DNQCSJRVHDUZDU-NSHDSACASA-N 1 0 335.330 1.607 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000525211458 447977976 /nfs/dbraw/zinc/97/79/76/447977976.db2.gz GFMBEKPOZNTSSV-NSHDSACASA-N 1 0 335.360 1.737 20 5 EDBDRO COc1ccc(C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)cc1[N+](=O)[O-] ZINC000497215921 447968339 /nfs/dbraw/zinc/96/83/39/447968339.db2.gz TYHGWHFTYBLSFB-CYBMUJFWSA-N 1 0 335.360 1.878 20 5 EDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000570683506 448050024 /nfs/dbraw/zinc/05/00/24/448050024.db2.gz SMVOHEPTMXPGJW-SUMWQHHRSA-N 1 0 332.404 1.997 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c(C)cc1[N+](=O)[O-] ZINC000570986697 448091365 /nfs/dbraw/zinc/09/13/65/448091365.db2.gz LFCLYFIRGZVVHT-VXGBXAGGSA-N 1 0 327.406 1.569 20 5 EDBDRO CCc1nc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])no1 ZINC000514798438 448206895 /nfs/dbraw/zinc/20/68/95/448206895.db2.gz ZFJFTCDUZONFQY-UHFFFAOYSA-N 1 0 333.348 1.701 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000591303915 448314844 /nfs/dbraw/zinc/31/48/44/448314844.db2.gz GLIBUNBFSDUQJW-GXTWGEPZSA-N 1 0 348.403 1.682 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2cnc(C3CC3)o2)c1 ZINC000577502796 448315499 /nfs/dbraw/zinc/31/54/99/448315499.db2.gz FRBCLQPHTSGDCU-ZDUSSCGKSA-N 1 0 333.344 1.990 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591304279 448315642 /nfs/dbraw/zinc/31/56/42/448315642.db2.gz AMHOHGAMZOSUTM-IUODEOHRSA-N 1 0 346.387 1.306 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591357182 448341368 /nfs/dbraw/zinc/34/13/68/448341368.db2.gz MGVDAKUAOQVFCW-IINYFYTJSA-N 1 0 344.375 1.365 20 5 EDBDRO O=C(NCC[NH2+]C1CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000591359366 448342320 /nfs/dbraw/zinc/34/23/20/448342320.db2.gz ZMMPNXXXCKPILN-UHFFFAOYSA-N 1 0 348.403 1.900 20 5 EDBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000591370591 448347303 /nfs/dbraw/zinc/34/73/03/448347303.db2.gz IHSOOSJKWPWKPF-RYUDHWBXSA-N 1 0 331.376 1.429 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591449627 448368537 /nfs/dbraw/zinc/36/85/37/448368537.db2.gz YODNQHVETWBYFF-FZMZJTMJSA-N 1 0 334.376 1.226 20 5 EDBDRO C[C@H]([NH3+])CNC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591338018 448329528 /nfs/dbraw/zinc/32/95/28/448329528.db2.gz KEBWGOJXHDPKIG-QMMMGPOBSA-N 1 0 349.313 1.672 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000516127318 448383375 /nfs/dbraw/zinc/38/33/75/448383375.db2.gz YRIODHZMNMEHCM-UHFFFAOYSA-N 1 0 343.387 1.723 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1C[NH2+]CCC1(F)F ZINC000591672219 448441893 /nfs/dbraw/zinc/44/18/93/448441893.db2.gz CQMVFRONGDMTPD-LBPRGKRZSA-N 1 0 329.303 1.335 20 5 EDBDRO CC1(C)C[NH2+]CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000591678191 448445275 /nfs/dbraw/zinc/44/52/75/448445275.db2.gz MFKYFUPAERZTNH-UHFFFAOYSA-N 1 0 329.360 1.605 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000573007648 448522734 /nfs/dbraw/zinc/52/27/34/448522734.db2.gz HOLKZVBZPQZMAR-CEFACKQISA-N 1 0 339.417 1.622 20 5 EDBDRO C[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)S(C)(=O)=O ZINC000537945247 448575549 /nfs/dbraw/zinc/57/55/49/448575549.db2.gz GVVWVILSUVGQOZ-BXUZGUMPSA-N 1 0 326.418 1.939 20 5 EDBDRO C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000536824231 448544408 /nfs/dbraw/zinc/54/44/08/448544408.db2.gz AWYRXDVYCPDABO-LLVKDONJSA-N 1 0 329.422 1.963 20 5 EDBDRO O=C(C[NH2+]C[C@@H]1CCCO1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000517561490 448592617 /nfs/dbraw/zinc/59/26/17/448592617.db2.gz CDYKCAPNLLDSLE-ZDUSSCGKSA-N 1 0 345.359 1.692 20 5 EDBDRO CN(C(=O)C[N@@H+]1CCCC[C@@H]1C1(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000573686138 448690808 /nfs/dbraw/zinc/69/08/08/448690808.db2.gz YXEAJBNERQVPDR-OAHLLOKOSA-N 1 0 333.388 1.937 20 5 EDBDRO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1(CO)CC=CC1 ZINC000592176423 448724184 /nfs/dbraw/zinc/72/41/84/448724184.db2.gz WXNKOOBMLZSQPH-INIZCTEOSA-N 1 0 335.404 1.699 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000592370542 448809279 /nfs/dbraw/zinc/80/92/79/448809279.db2.gz OAQYKTPJPHLFKG-IAQYHMDHSA-N 1 0 341.433 1.905 20 5 EDBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000592373236 448810078 /nfs/dbraw/zinc/81/00/78/448810078.db2.gz JARIGFZCVGEQPO-UHFFFAOYSA-N 1 0 328.394 1.000 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC(C)([NH3+])CC2)c1C ZINC000592378291 448811523 /nfs/dbraw/zinc/81/15/23/448811523.db2.gz DSSJVJDGHHRWEF-UHFFFAOYSA-N 1 0 327.406 1.714 20 5 EDBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000586789610 448812759 /nfs/dbraw/zinc/81/27/59/448812759.db2.gz DCEMMLJBTCMYTC-CYBMUJFWSA-N 1 0 329.360 1.664 20 5 EDBDRO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000574060463 448783505 /nfs/dbraw/zinc/78/35/05/448783505.db2.gz WJQCJSCITFUXKG-GFCCVEGCSA-N 1 0 336.396 1.280 20 5 EDBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[C@H]1[NH3+] ZINC000592332842 448795605 /nfs/dbraw/zinc/79/56/05/448795605.db2.gz PADNUICIYHLKJZ-GXFFZTMASA-N 1 0 335.360 1.565 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](CC)C2)cc1[N+](=O)[O-] ZINC000592382568 448815899 /nfs/dbraw/zinc/81/58/99/448815899.db2.gz QBNCTIBTRPMMAO-TZMCWYRMSA-N 1 0 341.433 1.905 20 5 EDBDRO CC(C)[NH2+]CCCNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000592467934 448849510 /nfs/dbraw/zinc/84/95/10/448849510.db2.gz COMIYKXILLMCOB-LBPRGKRZSA-N 1 0 336.392 1.217 20 5 EDBDRO CS[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@@H]1[NH+](C)C ZINC000588007933 448855772 /nfs/dbraw/zinc/85/57/72/448855772.db2.gz SONMNWBSSMMNQQ-QWHCGFSZSA-N 1 0 326.422 1.151 20 5 EDBDRO C[C@H]1C[N@H+](CCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)CCCO1 ZINC000588033830 448860995 /nfs/dbraw/zinc/86/09/95/448860995.db2.gz QTLSZXZMGARDIM-LBPRGKRZSA-N 1 0 338.408 1.582 20 5 EDBDRO C[C@H](CCC[NH3+])NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000592555285 448897360 /nfs/dbraw/zinc/89/73/60/448897360.db2.gz VDJNMLNTAHYWGV-GHMZBOCLSA-N 1 0 338.364 1.036 20 5 EDBDRO COc1ccc(NC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)cc1[N+](=O)[O-] ZINC000592558333 448900520 /nfs/dbraw/zinc/90/05/20/448900520.db2.gz WBVCNTSOXNNPBI-JTQLQIEISA-N 1 0 345.359 1.888 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000589111396 448970662 /nfs/dbraw/zinc/97/06/62/448970662.db2.gz IGZNBWAUACNLTB-LLVKDONJSA-N 1 0 342.421 1.020 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000592758602 448972884 /nfs/dbraw/zinc/97/28/84/448972884.db2.gz KOJLNLOQNQFRLV-UHFFFAOYSA-N 1 0 325.365 1.254 20 5 EDBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548089415 448980953 /nfs/dbraw/zinc/98/09/53/448980953.db2.gz JWTOKKHCDWGBSZ-SMDDNHRTSA-N 1 0 329.360 1.568 20 5 EDBDRO O=C(NCCC1=CC[NH2+]CC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000521843551 449017222 /nfs/dbraw/zinc/01/72/22/449017222.db2.gz NPJQNVQIDVDPNE-UHFFFAOYSA-N 1 0 330.388 1.972 20 5 EDBDRO C[C@H]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000174314183 533714436 /nfs/dbraw/zinc/71/44/36/533714436.db2.gz XWRRXUANDUJIFF-NWDGAFQWSA-N 1 0 327.406 1.651 20 5 EDBDRO C[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1CCO ZINC000595706088 449126329 /nfs/dbraw/zinc/12/63/29/449126329.db2.gz XJRHGBFZEDGQBT-CZUORRHYSA-N 1 0 347.415 1.967 20 5 EDBDRO O=C(CC[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595727953 449134426 /nfs/dbraw/zinc/13/44/26/449134426.db2.gz GUTARNSGDITGGO-QWHCGFSZSA-N 1 0 346.387 1.524 20 5 EDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593026300 449107154 /nfs/dbraw/zinc/10/71/54/449107154.db2.gz YWHQEFJEGSRHCI-DZGCQCFKSA-N 1 0 338.360 1.665 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(C2(O)CC2)CC1 ZINC000593049939 449114291 /nfs/dbraw/zinc/11/42/91/449114291.db2.gz MZQSDDGLRIWXRX-AWEZNQCLSA-N 1 0 336.388 1.571 20 5 EDBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595678624 449115713 /nfs/dbraw/zinc/11/57/13/449115713.db2.gz RPRVKEVLVQPMSK-CJNGLKHVSA-N 1 0 347.415 1.967 20 5 EDBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000593065760 449119770 /nfs/dbraw/zinc/11/97/70/449119770.db2.gz BGFWDNHDBMTKIA-ZIAGYGMSSA-N 1 0 337.376 1.313 20 5 EDBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000593067653 449121064 /nfs/dbraw/zinc/12/10/64/449121064.db2.gz YFVNUXJINCAYGK-CHWSQXEVSA-N 1 0 337.376 1.313 20 5 EDBDRO C[C@H]1CCC[N@H+](CCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000603930035 449160938 /nfs/dbraw/zinc/16/09/38/449160938.db2.gz FUBUMFWTALZBBT-NSHDSACASA-N 1 0 342.421 1.386 20 5 EDBDRO NS(=O)(=O)c1c(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000603932349 449161430 /nfs/dbraw/zinc/16/14/30/449161430.db2.gz FRCPDCWBHCXPPO-MNOVXSKESA-N 1 0 340.405 1.281 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2C[C@@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000595780825 449162260 /nfs/dbraw/zinc/16/22/60/449162260.db2.gz ITWFWICYPXIMDI-NZVBXONLSA-N 1 0 349.387 1.824 20 5 EDBDRO O=C(C[NH2+][C@H]1C[C@H](O)C12CCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595780793 449162687 /nfs/dbraw/zinc/16/26/87/449162687.db2.gz IHPJCKPOZQXREK-GJZGRUSLSA-N 1 0 331.372 1.377 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCC2(C[NH3+])CC2)c1C ZINC000593730271 449164204 /nfs/dbraw/zinc/16/42/04/449164204.db2.gz GVQNYHLPXNBHPE-UHFFFAOYSA-N 1 0 327.406 1.619 20 5 EDBDRO C[NH2+]Cc1ccccc1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000593729497 449164396 /nfs/dbraw/zinc/16/43/96/449164396.db2.gz ATMJNVRBHSERNS-UHFFFAOYSA-N 1 0 349.412 1.934 20 5 EDBDRO Cc1cc(S(=O)(=O)NCCC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000593731667 449167199 /nfs/dbraw/zinc/16/71/99/449167199.db2.gz ADZZORPZACRGAF-UHFFFAOYSA-N 1 0 327.406 1.571 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595753579 449148133 /nfs/dbraw/zinc/14/81/33/449148133.db2.gz ZCPDOGWHWFBFDM-YOEHRIQHSA-N 1 0 336.388 1.571 20 5 EDBDRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000590400826 449149115 /nfs/dbraw/zinc/14/91/15/449149115.db2.gz ZKHGNIBFSYDHQA-DZGCQCFKSA-N 1 0 349.387 1.295 20 5 EDBDRO CN(CC(=O)N1CCC2(C1)CC[NH+](C)CC2)c1ccccc1[N+](=O)[O-] ZINC000590548207 449184235 /nfs/dbraw/zinc/18/42/35/449184235.db2.gz VCWSHBRJQWFSPM-UHFFFAOYSA-N 1 0 346.431 1.975 20 5 EDBDRO Cc1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)cc([N+](=O)[O-])c1 ZINC000590564530 449193394 /nfs/dbraw/zinc/19/33/94/449193394.db2.gz FSGZASAFELFQOX-HOTGVXAUSA-N 1 0 333.388 1.838 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000590566213 449193522 /nfs/dbraw/zinc/19/35/22/449193522.db2.gz VOOCOORTUDGNTL-HZPDHXFCSA-N 1 0 333.388 1.838 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000600110763 449194207 /nfs/dbraw/zinc/19/42/07/449194207.db2.gz CPUHSHKDHFXGDD-UHFFFAOYSA-N 1 0 349.387 1.297 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000604489544 449237897 /nfs/dbraw/zinc/23/78/97/449237897.db2.gz DWNVAVFCOQWTAV-INIZCTEOSA-N 1 0 333.388 1.922 20 5 EDBDRO Cc1cc([N+](=O)[O-])cn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1=O ZINC000601956642 449244267 /nfs/dbraw/zinc/24/42/67/449244267.db2.gz CHWHYVBJASNBCQ-SFHVURJKSA-N 1 0 343.383 1.702 20 5 EDBDRO C[C@H](NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000595920852 449254262 /nfs/dbraw/zinc/25/42/62/449254262.db2.gz XZYCBPGCRVHBCB-JQWIXIFHSA-N 1 0 329.360 1.886 20 5 EDBDRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595987507 449299704 /nfs/dbraw/zinc/29/97/04/449299704.db2.gz MITAGKWULAYDIF-UHFFFAOYSA-N 1 0 348.403 1.282 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@]2(C)CC[NH2+]C2)c1 ZINC000595987383 449299841 /nfs/dbraw/zinc/29/98/41/449299841.db2.gz UVZXEHVMBKITCW-QGZVFWFLSA-N 1 0 343.387 1.630 20 5 EDBDRO C[C@@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[NH2+]C1 ZINC000595991055 449300750 /nfs/dbraw/zinc/30/07/50/449300750.db2.gz GCSUGFPEFMKHJW-CYBMUJFWSA-N 1 0 342.193 1.768 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1C(F)(F)F ZINC000593502467 449312813 /nfs/dbraw/zinc/31/28/13/449312813.db2.gz DAMSNTGJFJXKDA-LLVKDONJSA-N 1 0 331.294 1.869 20 5 EDBDRO COc1cc(CN2CC[NH+](C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000611515049 449317680 /nfs/dbraw/zinc/31/76/80/449317680.db2.gz BOIHVUVIIAXOLX-OAHLLOKOSA-N 1 0 335.404 1.900 20 5 EDBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000611521802 449318563 /nfs/dbraw/zinc/31/85/63/449318563.db2.gz RYFAKTXMOVUBHT-GFCCVEGCSA-N 1 0 335.360 1.926 20 5 EDBDRO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000595949053 449275795 /nfs/dbraw/zinc/27/57/95/449275795.db2.gz VAIXDATXDWUGAA-UHFFFAOYSA-N 1 0 348.403 1.315 20 5 EDBDRO CCOc1ccc(C(=O)Nc2nn(C)c(C)c2C[NH3+])cc1[N+](=O)[O-] ZINC000595962693 449284678 /nfs/dbraw/zinc/28/46/78/449284678.db2.gz STUJWQHUWQUVPS-UHFFFAOYSA-N 1 0 333.348 1.746 20 5 EDBDRO COc1cc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000594103300 449355589 /nfs/dbraw/zinc/35/55/89/449355589.db2.gz ZLUAGPLBYWGWTI-AOOOYVTPSA-N 1 0 325.340 1.813 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000598342514 449356650 /nfs/dbraw/zinc/35/66/50/449356650.db2.gz JVFMAPXXGPXUMR-CYBMUJFWSA-N 1 0 335.360 1.596 20 5 EDBDRO C[N@H+](CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)CC(C)(C)C ZINC000602141707 449378742 /nfs/dbraw/zinc/37/87/42/449378742.db2.gz NGOJRZQVKSZMKL-UHFFFAOYSA-N 1 0 337.424 1.933 20 5 EDBDRO CC(C)NC(=O)CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000611560283 449336647 /nfs/dbraw/zinc/33/66/47/449336647.db2.gz LWTKTEDCDHURFB-OAHLLOKOSA-N 1 0 331.376 1.532 20 5 EDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000598453556 449402967 /nfs/dbraw/zinc/40/29/67/449402967.db2.gz RRPFXRNFPPTTHL-OAHLLOKOSA-N 1 0 337.351 1.405 20 5 EDBDRO COC(=O)[C@](C)(NC(=O)C[N@@H+]1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000600531289 449428154 /nfs/dbraw/zinc/42/81/54/449428154.db2.gz AEYVXNTVECKSNT-SJKOYZFVSA-N 1 0 349.387 1.441 20 5 EDBDRO CCn1c(CC[NH3+])nnc1Sc1c(Cl)cncc1[N+](=O)[O-] ZINC000596148353 449385553 /nfs/dbraw/zinc/38/55/53/449385553.db2.gz DWJUFFUYRLSWDA-UHFFFAOYSA-N 1 0 328.785 1.907 20 5 EDBDRO CC(C)(C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)n1cc([N+](=O)[O-])cn1 ZINC000594195133 449387587 /nfs/dbraw/zinc/38/75/87/449387587.db2.gz CFMUTZKDLULGAQ-UONOGXRCSA-N 1 0 335.408 1.660 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611705419 449388290 /nfs/dbraw/zinc/38/82/90/449388290.db2.gz FCYUGBPPYDSXLE-GFCCVEGCSA-N 1 0 330.392 1.586 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594202825 449388944 /nfs/dbraw/zinc/38/89/44/449388944.db2.gz SKAPYYHMTMQGTM-KBPBESRZSA-N 1 0 335.408 1.623 20 5 EDBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CCO1 ZINC000598542544 449456140 /nfs/dbraw/zinc/45/61/40/449456140.db2.gz XNLVXRRABGLMQY-LBPRGKRZSA-N 1 0 336.392 1.360 20 5 EDBDRO CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000600663024 449479924 /nfs/dbraw/zinc/47/99/24/449479924.db2.gz TUWIWFMLNFWCLJ-CWRNSKLLSA-N 1 0 348.403 1.704 20 5 EDBDRO COC(=O)c1ccnc(NCC2([NH+](C)C)CCOCC2)c1[N+](=O)[O-] ZINC000598599338 449485046 /nfs/dbraw/zinc/48/50/46/449485046.db2.gz ZWUZAFSJHUJCBQ-UHFFFAOYSA-N 1 0 338.364 1.299 20 5 EDBDRO CC1(CNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000598664285 449526871 /nfs/dbraw/zinc/52/68/71/449526871.db2.gz CUTPPTVPXUFFNC-UHFFFAOYSA-N 1 0 349.391 1.222 20 5 EDBDRO C[C@H](CCCC[NH3+])NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598664281 449526927 /nfs/dbraw/zinc/52/69/27/449526927.db2.gz CTNVJFLFQNSXJG-LLVKDONJSA-N 1 0 337.380 1.350 20 5 EDBDRO COC(=O)COc1ccc(CN[C@@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000600769261 449540997 /nfs/dbraw/zinc/54/09/97/449540997.db2.gz KTMUMTUZJWNXGY-OAHLLOKOSA-N 1 0 349.387 1.521 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598684705 449541846 /nfs/dbraw/zinc/54/18/46/449541846.db2.gz XRFZCWUSTNMYNS-ZBEGNZNMSA-N 1 0 334.376 1.355 20 5 EDBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H]3COCCN3)o2)c([N+](=O)[O-])c1 ZINC000600772587 449542159 /nfs/dbraw/zinc/54/21/59/449542159.db2.gz FICNZQUUMUFDHT-LBPRGKRZSA-N 1 0 347.371 1.941 20 5 EDBDRO CC(C)(C)C[N@H+](CCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612073301 449552586 /nfs/dbraw/zinc/55/25/86/449552586.db2.gz JCPNOHFFCRWFBA-CYBMUJFWSA-N 1 0 326.393 1.675 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c1C ZINC000598726325 449566109 /nfs/dbraw/zinc/56/61/09/449566109.db2.gz RVNAMMDTKQDJLM-WFASDCNBSA-N 1 0 339.417 1.714 20 5 EDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1c(Br)cccc1[N+](=O)[O-] ZINC000602429098 449579806 /nfs/dbraw/zinc/57/98/06/449579806.db2.gz RNWKUIZVXWRIMZ-MRVPVSSYSA-N 1 0 328.166 1.839 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000602431901 449581453 /nfs/dbraw/zinc/58/14/53/449581453.db2.gz GGRICEMQRVWEHH-IUODEOHRSA-N 1 0 333.388 1.591 20 5 EDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C[C@@H]1C[NH3+] ZINC000600887121 449586042 /nfs/dbraw/zinc/58/60/42/449586042.db2.gz PRSFDWWQJMCKKH-NEPJUHHUSA-N 1 0 338.383 1.602 20 5 EDBDRO O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)Nc1ccccc1[N+](=O)[O-] ZINC000594656032 449611276 /nfs/dbraw/zinc/61/12/76/449611276.db2.gz QCJOLPSZNSCZCS-LLVKDONJSA-N 1 0 331.336 1.042 20 5 EDBDRO COC(=O)CCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000594729068 449652002 /nfs/dbraw/zinc/65/20/02/449652002.db2.gz IYINHIWHYCYYTE-GXTWGEPZSA-N 1 0 349.387 1.718 20 5 EDBDRO C[NH2+]CCOCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602561365 449675632 /nfs/dbraw/zinc/67/56/32/449675632.db2.gz DVNQTBVYNQLHKZ-UHFFFAOYSA-N 1 0 335.282 1.579 20 5 EDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594770452 449683483 /nfs/dbraw/zinc/68/34/83/449683483.db2.gz HHYGBXYJNPHKHH-VXGBXAGGSA-N 1 0 342.421 1.389 20 5 EDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000598990476 449684587 /nfs/dbraw/zinc/68/45/87/449684587.db2.gz FXEPHQVFHBBLGR-ZDUSSCGKSA-N 1 0 339.359 1.401 20 5 EDBDRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915433 449645581 /nfs/dbraw/zinc/64/55/81/449645581.db2.gz LYWRLKDRIJWISH-PELKAZGASA-N 1 0 326.328 1.968 20 5 EDBDRO CN(CCN1CC[NH2+]CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915491 449645755 /nfs/dbraw/zinc/64/57/55/449645755.db2.gz MVPNZQSCZSHDSL-UHFFFAOYSA-N 1 0 341.799 1.617 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000602598466 449696157 /nfs/dbraw/zinc/69/61/57/449696157.db2.gz ZLCNUDPJSMGHFV-ATZCPNFKSA-N 1 0 327.768 1.964 20 5 EDBDRO C[C@H](O)C[NH+]1CCC(CN(C)c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601115170 449698195 /nfs/dbraw/zinc/69/81/95/449698195.db2.gz XSFLBHZRIFOHNB-NSHDSACASA-N 1 0 326.372 1.658 20 5 EDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000601140520 449712080 /nfs/dbraw/zinc/71/20/80/449712080.db2.gz XBYFVSKDVISICT-BDAKNGLRSA-N 1 0 333.314 1.878 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[C@H](C)[NH+](C)C)c1C ZINC000594817960 449726421 /nfs/dbraw/zinc/72/64/21/449726421.db2.gz WPXFXUGTBVIEFD-NSHDSACASA-N 1 0 329.422 1.830 20 5 EDBDRO COC(=O)[C@H]1C[C@H](O)CN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599093755 449728475 /nfs/dbraw/zinc/72/84/75/449728475.db2.gz RIDIBROXBFBUIG-RYUDHWBXSA-N 1 0 331.328 1.503 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000599094274 449729048 /nfs/dbraw/zinc/72/90/48/449729048.db2.gz SJQQNNZRSXZNPY-XIRDDKMYSA-N 1 0 333.432 1.962 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000599100132 449731562 /nfs/dbraw/zinc/73/15/62/449731562.db2.gz FUAZYMJWVJETGW-ZDUSSCGKSA-N 1 0 327.406 1.522 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c1C ZINC000599102986 449734233 /nfs/dbraw/zinc/73/42/33/449734233.db2.gz HTBXOPJGXAPKJG-CMPLNLGQSA-N 1 0 327.406 1.630 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000599110621 449742126 /nfs/dbraw/zinc/74/21/26/449742126.db2.gz CVMIZYURGUHXIO-GASCZTMLSA-N 1 0 339.417 1.523 20 5 EDBDRO CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H](O)C(F)F ZINC000602678198 449745924 /nfs/dbraw/zinc/74/59/24/449745924.db2.gz JPABMKYZBRWMKQ-TZMCWYRMSA-N 1 0 344.362 1.953 20 5 EDBDRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]12 ZINC000602685607 449749900 /nfs/dbraw/zinc/74/99/00/449749900.db2.gz PYOVTSYMCOWVKN-AOOOYVTPSA-N 1 0 343.261 1.318 20 5 EDBDRO C[C@]12C[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@]1(C)C(=O)NC2=O ZINC000602724391 449769239 /nfs/dbraw/zinc/76/92/39/449769239.db2.gz KWCPPSNVNLCFIQ-HUUCEWRRSA-N 1 0 337.763 1.733 20 5 EDBDRO CCc1ccc(S(=O)(=O)NCC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000595122385 449883816 /nfs/dbraw/zinc/88/38/16/449883816.db2.gz YDEJLOCFQDSFFN-CYBMUJFWSA-N 1 0 329.422 1.809 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)c([N+](=O)[O-])s1 ZINC000601342518 449851181 /nfs/dbraw/zinc/85/11/81/449851181.db2.gz XFSPXUVIDHEZCQ-UHFFFAOYSA-N 1 0 345.446 1.729 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c1 ZINC000601420659 449937041 /nfs/dbraw/zinc/93/70/41/449937041.db2.gz FCHOOJUSKBXODN-CHWSQXEVSA-N 1 0 341.433 1.925 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000601420142 449937264 /nfs/dbraw/zinc/93/72/64/449937264.db2.gz RTQCNZXKPXWCPV-VIFPVBQESA-N 1 0 333.385 1.518 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC(C[NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000601423858 449942255 /nfs/dbraw/zinc/94/22/55/449942255.db2.gz OOXQLWLVKVOUQC-UHFFFAOYSA-N 1 0 331.369 1.224 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000601423671 449942785 /nfs/dbraw/zinc/94/27/85/449942785.db2.gz GRNXVOMBQCIDOP-UHFFFAOYSA-N 1 0 327.406 1.394 20 5 EDBDRO C[C@@](CO)([NH2+]C[C@@H](O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000602961459 449962005 /nfs/dbraw/zinc/96/20/05/449962005.db2.gz ADMFQVBLOOIIOY-ROUUACIJSA-N 1 0 330.384 1.996 20 5 EDBDRO CC[N@@H+]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000601440379 449962169 /nfs/dbraw/zinc/96/21/69/449962169.db2.gz QJOGSNIPXWTBGV-CYBMUJFWSA-N 1 0 341.433 1.841 20 5 EDBDRO C[N@@H+]1CC[C@](O)(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601445184 449967066 /nfs/dbraw/zinc/96/70/66/449967066.db2.gz SBKYISREISQYKU-INIZCTEOSA-N 1 0 333.388 1.199 20 5 EDBDRO C[NH+](C)C1(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000601450297 449974160 /nfs/dbraw/zinc/97/41/60/449974160.db2.gz QAZCXMQXBFWBJY-UHFFFAOYSA-N 1 0 327.406 1.151 20 5 EDBDRO CSc1cccc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000603051301 450035788 /nfs/dbraw/zinc/03/57/88/450035788.db2.gz AMMKXTRDQWJDHA-LLVKDONJSA-N 1 0 339.417 1.503 20 5 EDBDRO CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595375309 450088411 /nfs/dbraw/zinc/08/84/11/450088411.db2.gz NDLSSOWKIUJKJR-DZGCQCFKSA-N 1 0 337.424 1.177 20 5 EDBDRO O=C(NC[C@@H]1COCC[NH2+]1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000599604212 450097732 /nfs/dbraw/zinc/09/77/32/450097732.db2.gz MIFRQRMOLDHDBD-SECBINFHSA-N 1 0 348.281 1.724 20 5 EDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1cc([N+](=O)[O-])cc3c1OCCO3)C2 ZINC000597572320 450117261 /nfs/dbraw/zinc/11/72/61/450117261.db2.gz PQNCLHAUILUZDQ-UHFFFAOYSA-N 1 0 333.344 1.144 20 5 EDBDRO C[C@H](C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000597574049 450118549 /nfs/dbraw/zinc/11/85/49/450118549.db2.gz MDHSMRHITBWLTH-SUMWQHHRSA-N 1 0 335.404 1.613 20 5 EDBDRO CC(=O)c1nc(CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)[nH]c1C ZINC000595460564 450158460 /nfs/dbraw/zinc/15/84/60/450158460.db2.gz DVGLBRWQGXYYMZ-UHFFFAOYSA-N 1 0 346.391 1.905 20 5 EDBDRO COC(=O)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]2CCC[C@H]21 ZINC000599654064 450131414 /nfs/dbraw/zinc/13/14/14/450131414.db2.gz LEPPHBDHYFIQNV-RRFJBIMHSA-N 1 0 349.387 1.420 20 5 EDBDRO Cc1ccc(CCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000610335405 450194511 /nfs/dbraw/zinc/19/45/11/450194511.db2.gz JOFVOOXAJPVWDI-KRWDZBQOSA-N 1 0 332.404 1.991 20 5 EDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CCc3c[nH]nc3C1)OCCO2 ZINC000610717839 450310639 /nfs/dbraw/zinc/31/06/39/450310639.db2.gz SOBOYKHPUYNBTI-LBPRGKRZSA-N 1 0 330.344 1.736 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000616089492 450318611 /nfs/dbraw/zinc/31/86/11/450318611.db2.gz XZCUTENAGFCCGY-ZDUSSCGKSA-N 1 0 337.376 1.330 20 5 EDBDRO Cc1c(CC(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000619565860 450507400 /nfs/dbraw/zinc/50/74/00/450507400.db2.gz IZZXUMLRRUFUFD-QGZVFWFLSA-N 1 0 335.404 1.361 20 5 EDBDRO C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC1 ZINC000576597302 486054274 /nfs/dbraw/zinc/05/42/74/486054274.db2.gz ODLKOJOCCCAPNG-UHFFFAOYSA-N 1 0 338.383 1.712 20 5 EDBDRO [NH3+][C@@H]1CCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000203527658 486245517 /nfs/dbraw/zinc/24/55/17/486245517.db2.gz GLMUKCATCFCYDO-MRVPVSSYSA-N 1 0 333.129 1.737 20 5 EDBDRO CCCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000178913091 527740451 /nfs/dbraw/zinc/74/04/51/527740451.db2.gz GKHFXPISQQSEQK-LLVKDONJSA-N 1 0 325.340 1.713 20 5 EDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000341807997 535572674 /nfs/dbraw/zinc/57/26/74/535572674.db2.gz NFLHKOAJNSTWPL-LLVKDONJSA-N 1 0 336.392 1.688 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000046946168 535727599 /nfs/dbraw/zinc/72/75/99/535727599.db2.gz PQCZIQIKCVXBMO-AWEZNQCLSA-N 1 0 334.420 1.280 20 5 EDBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000331673977 536370889 /nfs/dbraw/zinc/37/08/89/536370889.db2.gz PGVNRVBFVWLJGY-UHFFFAOYSA-N 1 0 335.360 1.534 20 5 EDBDRO Cn1c(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000352871329 536480914 /nfs/dbraw/zinc/48/09/14/536480914.db2.gz TXWMSQXVQBMBTH-UHFFFAOYSA-N 1 0 328.372 1.890 20 5 EDBDRO CO[C@@H]1C[C@@H](CN(C)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[N@H+](C)C1 ZINC000346787230 536776328 /nfs/dbraw/zinc/77/63/28/536776328.db2.gz GPHYYXZQBKVMPJ-UONOGXRCSA-N 1 0 340.355 1.917 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000261687425 536956557 /nfs/dbraw/zinc/95/65/57/536956557.db2.gz ISYPYEFQMNCLGL-GHMZBOCLSA-N 1 0 343.405 1.270 20 5 EDBDRO CN(C[C@H]1CCS(=O)(=O)C1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000740864282 579387307 /nfs/dbraw/zinc/38/73/07/579387307.db2.gz BNCIRNBYVFSDQB-LLVKDONJSA-N 1 0 338.389 1.269 20 5 EDBDRO C[C@@H]1C[C@H](N(C)C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000741588681 579421547 /nfs/dbraw/zinc/42/15/47/579421547.db2.gz JATOFCRMFRQEPY-TZMCWYRMSA-N 1 0 345.403 1.886 20 5 EDBDRO CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[N@H+](C)C1 ZINC000741624914 579422437 /nfs/dbraw/zinc/42/24/37/579422437.db2.gz MLGHXQXCUAKFRD-AWEZNQCLSA-N 1 0 331.376 1.497 20 5 EDBDRO CN1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1=O ZINC000726797747 578361843 /nfs/dbraw/zinc/36/18/43/578361843.db2.gz VYEJEHOHZDOTNR-CQSZACIVSA-N 1 0 332.404 1.905 20 5 EDBDRO CC[NH+]1CCC(N(C)C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000729844885 578595228 /nfs/dbraw/zinc/59/52/28/578595228.db2.gz WFTNWMTVMYSRDD-UHFFFAOYSA-N 1 0 345.403 1.887 20 5 EDBDRO C[C@H](O)C[NH+]1CCC(CN(C)c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000729921316 578599789 /nfs/dbraw/zinc/59/97/89/578599789.db2.gz UUHFPKOILXUTGU-ZDUSSCGKSA-N 1 0 347.419 1.772 20 5 EDBDRO CN(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732188747 578696192 /nfs/dbraw/zinc/69/61/92/578696192.db2.gz MFNZJOLQBXOKGP-ZDUSSCGKSA-N 1 0 344.371 1.317 20 5 EDBDRO C[NH+](C)CCOC1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000732666905 578723143 /nfs/dbraw/zinc/72/31/43/578723143.db2.gz GSACTBARZHUCNK-UHFFFAOYSA-N 1 0 333.392 1.790 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000756258339 579946919 /nfs/dbraw/zinc/94/69/19/579946919.db2.gz RXKKNAUONAVRKS-UHFFFAOYSA-N 1 0 343.387 1.937 20 5 EDBDRO O=C(NCCNc1cc[nH+]cc1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000757255807 579966058 /nfs/dbraw/zinc/96/60/58/579966058.db2.gz JRVGDSVBCALANN-UHFFFAOYSA-N 1 0 349.778 1.976 20 5 EDBDRO CC1=CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000762707715 580080854 /nfs/dbraw/zinc/08/08/54/580080854.db2.gz PABWBKWMASFJCJ-UHFFFAOYSA-N 1 0 334.332 1.885 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC[N@H+]2CC[C@H](C)C2)cc([N+](=O)[O-])c1F ZINC000771774615 580293580 /nfs/dbraw/zinc/29/35/80/580293580.db2.gz SZMUIMLGEPEEQC-JTQLQIEISA-N 1 0 345.396 1.662 20 5 EDBDRO CC[NH+]1CCN(CCC(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)CC1 ZINC000773987518 580351142 /nfs/dbraw/zinc/35/11/42/580351142.db2.gz IUOXDRNJDSQEGG-UHFFFAOYSA-N 1 0 346.431 1.820 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000776574422 580421591 /nfs/dbraw/zinc/42/15/91/580421591.db2.gz HJDURBPBICJLAL-IAGOWNOFSA-N 1 0 335.404 1.425 20 5 EDBDRO C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000781963518 580561746 /nfs/dbraw/zinc/56/17/46/580561746.db2.gz CURKITWITLWOKS-IAQYHMDHSA-N 1 0 332.360 1.298 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NCC[N@H+]2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000783919540 580608298 /nfs/dbraw/zinc/60/82/98/580608298.db2.gz RDMILDMZIZOKQU-CYBMUJFWSA-N 1 0 348.403 1.234 20 5 EDBDRO C/C(=C/C(=O)NCCCN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785067994 580634964 /nfs/dbraw/zinc/63/49/64/580634964.db2.gz ZZHDSSSZPVATNT-PFONDFGASA-N 1 0 346.431 1.752 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000785801228 580653761 /nfs/dbraw/zinc/65/37/61/580653761.db2.gz QJVMBZSIXKDDAW-CHWSQXEVSA-N 1 0 334.376 1.230 20 5 EDBDRO C[N@@H+]1CC[C@]2(CCN(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)C1 ZINC000793767106 580855308 /nfs/dbraw/zinc/85/53/08/580855308.db2.gz NRHSFGWGXPVPTM-KRWDZBQOSA-N 1 0 344.371 1.176 20 5 EDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794633024 580900925 /nfs/dbraw/zinc/90/09/25/580900925.db2.gz KFCBSJFNVGCOJF-STQMWFEESA-N 1 0 346.387 1.876 20 5 EDBDRO O=[N+]([O-])c1cc(F)c(CN2CC[NH+](CCCCO)CC2)c(F)c1 ZINC000795958175 580942182 /nfs/dbraw/zinc/94/21/82/580942182.db2.gz DFJNSCDUDRBMIF-UHFFFAOYSA-N 1 0 329.347 1.763 20 5 EDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000801825793 581085800 /nfs/dbraw/zinc/08/58/00/581085800.db2.gz FYMPHFYKMAATPV-UHFFFAOYSA-N 1 0 336.367 1.920 20 5 EDBDRO CS(=O)(=O)C1CC([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000893400618 590847433 /nfs/dbraw/zinc/84/74/33/590847433.db2.gz GEFRWBUMKBBHGT-UHFFFAOYSA-N 1 0 332.809 1.956 20 5 EDBDRO C/C(=C\C(=O)N1CCN(C)CC[N@@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000888986702 590958257 /nfs/dbraw/zinc/95/82/57/590958257.db2.gz QRPQBMRGNCTFQH-CCEZHUSRSA-N 1 0 346.431 1.704 20 5 EDBDRO Cc1nn(CCC(=O)N[C@]2(C)C[NH+]3CCC2CC3)c(C)c1[N+](=O)[O-] ZINC000892783518 591174997 /nfs/dbraw/zinc/17/49/97/591174997.db2.gz BUGROZUVDBEUDI-MRXNPFEDSA-N 1 0 335.408 1.399 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000892929302 591228949 /nfs/dbraw/zinc/22/89/49/591228949.db2.gz GKUYNXQIQHWASO-HZPDHXFCSA-N 1 0 348.403 1.852 20 5 EDBDRO COC(=O)[C@@H]1[C@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1(F)F ZINC000894580823 591352366 /nfs/dbraw/zinc/35/23/66/591352366.db2.gz WAPSGKLIRLAVOI-JQWIXIFHSA-N 1 0 344.318 1.483 20 5 EDBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC([NH+]2CCCC2)C1 ZINC000898610723 591437508 /nfs/dbraw/zinc/43/75/08/591437508.db2.gz PYMHNQDJYACGGV-UHFFFAOYSA-N 1 0 342.355 1.769 20 5 EDBDRO Cc1c(CC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000896554367 591519828 /nfs/dbraw/zinc/51/98/28/591519828.db2.gz WIBFKKYLOPFJMB-CJNGLKHVSA-N 1 0 334.420 1.196 20 5 EDBDRO CC1(C)CNC(=O)[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000895317116 591710442 /nfs/dbraw/zinc/71/04/42/591710442.db2.gz UOHMTDRRFDIRJA-HNNXBMFYSA-N 1 0 332.404 1.678 20 5 EDBDRO CCOC(=O)c1ccnc(N2CC[C@]3(C2)CCCC[NH2+]3)c1[N+](=O)[O-] ZINC000900399494 592008028 /nfs/dbraw/zinc/00/80/28/592008028.db2.gz HSWZKKWVNIGGNQ-INIZCTEOSA-N 1 0 334.376 1.889 20 5 EDBDRO C[C@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000903287870 592153524 /nfs/dbraw/zinc/15/35/24/592153524.db2.gz HQBFUFYEXDWKCO-LBPRGKRZSA-N 1 0 327.406 1.671 20 5 EDBDRO CN(C(=O)CN1CCC[C@H]2CC[C@]21C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000903800725 592326949 /nfs/dbraw/zinc/32/69/49/592326949.db2.gz YAMLHHXAFFPXMM-GUYCJALGSA-N 1 0 332.404 1.761 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC[N@@H+]1C ZINC000906797341 592348623 /nfs/dbraw/zinc/34/86/23/592348623.db2.gz HIOMTSWYLOFSBF-NEPJUHHUSA-N 1 0 349.387 1.969 20 5 EDBDRO C[C@@H](NCc1cnnn1[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000903988006 592406397 /nfs/dbraw/zinc/40/63/97/592406397.db2.gz MLPFYMWFZXICNE-IUODEOHRSA-N 1 0 330.392 1.962 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCCO4)[C@H]2C1 ZINC000908348398 592456002 /nfs/dbraw/zinc/45/60/02/592456002.db2.gz OBDLKNSIFPMEFC-RISCZKNCSA-N 1 0 347.371 1.532 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000905646764 592603939 /nfs/dbraw/zinc/60/39/39/592603939.db2.gz AHBWJJZEMTZQLK-IJEWVQPXSA-N 1 0 336.388 1.882 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000912151041 593066158 /nfs/dbraw/zinc/06/61/58/593066158.db2.gz QDKVIRVURFDTCT-OAHLLOKOSA-N 1 0 341.795 1.711 20 5 EDBDRO CNc1ccc(C(=O)OC[C@H]2C[N@@H+](C(C)C)CCO2)cc1[N+](=O)[O-] ZINC000802139978 593223183 /nfs/dbraw/zinc/22/31/83/593223183.db2.gz KQXZMANEBJNLCP-CYBMUJFWSA-N 1 0 337.376 1.903 20 5 EDBDRO CN(C)C(=O)C1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000839632403 593356157 /nfs/dbraw/zinc/35/61/57/593356157.db2.gz HCDMNRSEHKNAGQ-UHFFFAOYSA-N 1 0 338.339 1.273 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]C1CC(C(F)F)C1 ZINC000768689551 593441352 /nfs/dbraw/zinc/44/13/52/593441352.db2.gz IWPSOHFHFXTQCW-UHFFFAOYSA-N 1 0 349.359 1.506 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCCCS2(=O)=O)c1 ZINC000819221895 593745198 /nfs/dbraw/zinc/74/51/98/593745198.db2.gz PMRRGHXJUGFXJH-ZIAGYGMSSA-N 1 0 328.390 1.185 20 5 EDBDRO CS(=O)(=O)C1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000819276565 593748206 /nfs/dbraw/zinc/74/82/06/593748206.db2.gz OORCIZPWEAHVRV-ZDUSSCGKSA-N 1 0 328.390 1.185 20 5 EDBDRO CC1CC[NH+](CCCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000823937828 593891282 /nfs/dbraw/zinc/89/12/82/593891282.db2.gz KTTWFVHPHFEURJ-MRXNPFEDSA-N 1 0 335.404 1.866 20 5 EDBDRO CCC[N@H+](C)C[C@H]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821088796 593962850 /nfs/dbraw/zinc/96/28/50/593962850.db2.gz WPVGZQMYEAUSKR-LLVKDONJSA-N 1 0 346.395 1.338 20 5 EDBDRO CCC[NH+]1CCC(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821110028 593968064 /nfs/dbraw/zinc/96/80/64/593968064.db2.gz VZHPPWJSGYFWTQ-UHFFFAOYSA-N 1 0 346.395 1.704 20 5 EDBDRO CC[NH+]1CCC(CCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821254933 593998693 /nfs/dbraw/zinc/99/86/93/593998693.db2.gz QKLKZVRBAFTMEA-UHFFFAOYSA-N 1 0 346.395 1.704 20 5 EDBDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H](C)O1 ZINC000822764061 594097068 /nfs/dbraw/zinc/09/70/68/594097068.db2.gz ZSIYYXGFYBCGMG-ZNMIVQPWSA-N 1 0 341.452 1.922 20 5 EDBDRO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000825517020 594195905 /nfs/dbraw/zinc/19/59/05/594195905.db2.gz JSNWZYLDEJSFEQ-JKSUJKDBSA-N 1 0 333.388 1.715 20 5 EDBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(N2CCNC2=O)cc1 ZINC000829739258 594251620 /nfs/dbraw/zinc/25/16/20/594251620.db2.gz IMPGMPZYNBJGDK-GFCCVEGCSA-N 1 0 344.375 1.672 20 5 EDBDRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000829292383 594593439 /nfs/dbraw/zinc/59/34/39/594593439.db2.gz JMYNIQCODITLMW-UHFFFAOYSA-N 1 0 347.415 1.708 20 5 EDBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000827028156 594626836 /nfs/dbraw/zinc/62/68/36/594626836.db2.gz QSBXRDYRNXXCQQ-CJNGLKHVSA-N 1 0 335.404 1.722 20 5 EDBDRO CN1CC[NH+](C2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000827462919 594674490 /nfs/dbraw/zinc/67/44/90/594674490.db2.gz UWOVLPMQOUIKQQ-UHFFFAOYSA-N 1 0 338.433 1.508 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000832299065 594741061 /nfs/dbraw/zinc/74/10/61/594741061.db2.gz WNVKXQFRXUOLPF-CYZMBNFOSA-N 1 0 334.294 1.873 20 5 EDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832529573 594756658 /nfs/dbraw/zinc/75/66/58/594756658.db2.gz HTOXNCFXVHIIQZ-WQVCFCJDSA-N 1 0 333.388 1.713 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000841157917 594860124 /nfs/dbraw/zinc/86/01/24/594860124.db2.gz KIITXEKVBWXGPL-SNVBAGLBSA-N 1 0 338.339 1.178 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000841159126 594860321 /nfs/dbraw/zinc/86/03/21/594860321.db2.gz CDCNCJFMVZOBIK-SNVBAGLBSA-N 1 0 338.339 1.239 20 5 EDBDRO CN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@H](C[NH3+])C1 ZINC000841233472 594873885 /nfs/dbraw/zinc/87/38/85/594873885.db2.gz VHXLPBVFEIAWPV-SECBINFHSA-N 1 0 327.772 1.355 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCO1 ZINC000841233320 594873922 /nfs/dbraw/zinc/87/39/22/594873922.db2.gz QSNWLYGNCXQIFF-KWQFWETISA-N 1 0 328.756 1.828 20 5 EDBDRO COc1cc(Cc2noc(C[C@@H]([NH3+])C3CC3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000843224902 595043728 /nfs/dbraw/zinc/04/37/28/595043728.db2.gz ALMISRIDCJBUER-GFCCVEGCSA-N 1 0 348.359 1.866 20 5 EDBDRO O=[N+]([O-])c1cc(-c2noc(C3CC[NH2+]CC3)n2)ccc1-n1cncn1 ZINC000843236753 595045735 /nfs/dbraw/zinc/04/57/35/595045735.db2.gz HCSVAJGGTDEXST-UHFFFAOYSA-N 1 0 341.331 1.693 20 5 EDBDRO O=C(CCN1CC[NH2+]C[C@@H]1C(F)F)Nc1cc([N+](=O)[O-])ccc1F ZINC000843385737 595096775 /nfs/dbraw/zinc/09/67/75/595096775.db2.gz QJBRSFPKFNVOHY-GFCCVEGCSA-N 1 0 346.309 1.601 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842485039 595120571 /nfs/dbraw/zinc/12/05/71/595120571.db2.gz IESLTFJQRIWUQL-CQSZACIVSA-N 1 0 325.390 1.420 20 5 EDBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000843503244 595133703 /nfs/dbraw/zinc/13/37/03/595133703.db2.gz JDAOKCNTQIXYJZ-VXGBXAGGSA-N 1 0 336.392 1.287 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843792202 595187697 /nfs/dbraw/zinc/18/76/97/595187697.db2.gz XZDWNAZVEBAVGX-UHFFFAOYSA-N 1 0 327.356 1.693 20 5 EDBDRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000842794955 595201913 /nfs/dbraw/zinc/20/19/13/595201913.db2.gz DEDIOFYTHMJGQD-UHFFFAOYSA-N 1 0 345.808 1.796 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc([N+](=O)[O-])c1F ZINC000842815142 595207198 /nfs/dbraw/zinc/20/71/98/595207198.db2.gz PKCHDQOKZIXQSX-ZJUUUORDSA-N 1 0 331.369 1.461 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000842915023 595234267 /nfs/dbraw/zinc/23/42/67/595234267.db2.gz QVMZXKUGGBCNSW-DTWKUNHWSA-N 1 0 335.813 1.961 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1 ZINC000843096785 595286976 /nfs/dbraw/zinc/28/69/76/595286976.db2.gz UZFSDSAOMWDNIP-RDJZCZTQSA-N 1 0 334.347 1.961 20 5 EDBDRO Nc1ccc(C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000846687314 595301905 /nfs/dbraw/zinc/30/19/05/595301905.db2.gz CUCLQBUSVAHTDH-WOSRLPQWSA-N 1 0 348.403 1.536 20 5 EDBDRO C[C@H]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H]1CC[NH3+] ZINC000846692968 595302956 /nfs/dbraw/zinc/30/29/56/595302956.db2.gz CNPMCBBLIGMMCE-WFASDCNBSA-N 1 0 345.403 1.920 20 5 EDBDRO Cc1c(CNC(=[NH2+])NCCCN2CCOCC2)cccc1[N+](=O)[O-] ZINC000849092866 595480082 /nfs/dbraw/zinc/48/00/82/595480082.db2.gz JYTYFBQZFCUREB-UHFFFAOYSA-N 1 0 335.408 1.239 20 5 EDBDRO C[N@@H+]1CC[C@@H](CCOC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000847828046 595489217 /nfs/dbraw/zinc/48/92/17/595489217.db2.gz KGPLYIHSKOQMJI-NSHDSACASA-N 1 0 336.344 1.865 20 5 EDBDRO C[NH+](C)CCC[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000852760666 595531801 /nfs/dbraw/zinc/53/18/01/595531801.db2.gz KZYFDYUVMCCKGX-IAGOWNOFSA-N 1 0 337.420 1.671 20 5 EDBDRO COc1cc(CC[NH2+]C[C@H](O)c2ccccn2)c([N+](=O)[O-])cc1OC ZINC000853062376 595651969 /nfs/dbraw/zinc/65/19/69/595651969.db2.gz NBXICSZUAYUKEO-HNNXBMFYSA-N 1 0 347.371 1.873 20 5 EDBDRO NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000858224402 595735841 /nfs/dbraw/zinc/73/58/41/595735841.db2.gz FHFOXEYSPQWTIT-AWEZNQCLSA-N 1 0 340.811 1.678 20 5 EDBDRO COC(=O)N(C)CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000850390230 595825582 /nfs/dbraw/zinc/82/55/82/595825582.db2.gz RGKMSUOQMOMSBA-UHFFFAOYSA-N 1 0 325.321 1.154 20 5 EDBDRO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000858581421 595834002 /nfs/dbraw/zinc/83/40/02/595834002.db2.gz DUUFTZKELRWMJD-QWRGUYRKSA-N 1 0 338.364 1.310 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000858619970 595846613 /nfs/dbraw/zinc/84/66/13/595846613.db2.gz SQNACRHYIVEPOV-NSHDSACASA-N 1 0 329.353 1.297 20 5 EDBDRO CC(C)N1CCO[C@H](C(=[NH2+])NOCc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000853686176 595855495 /nfs/dbraw/zinc/85/54/95/595855495.db2.gz VTIKOAJHJBLBAJ-AWEZNQCLSA-N 1 0 340.355 1.842 20 5 EDBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000854352482 596047171 /nfs/dbraw/zinc/04/71/71/596047171.db2.gz DJISIRHBTJMBMP-IFCKCIONSA-N 1 0 344.415 1.504 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861708349 596075264 /nfs/dbraw/zinc/07/52/64/596075264.db2.gz DLXSPTAKISPFQZ-VXGBXAGGSA-N 1 0 339.779 1.529 20 5 EDBDRO CN(C(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000852435349 596160267 /nfs/dbraw/zinc/16/02/67/596160267.db2.gz MMMLMVLEFVWLLL-CQSZACIVSA-N 1 0 348.359 1.084 20 5 EDBDRO CC[C@@H]1COC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000852556172 596197473 /nfs/dbraw/zinc/19/74/73/596197473.db2.gz KLXFOKHTYQMPCZ-BXUZGUMPSA-N 1 0 328.390 1.383 20 5 EDBDRO Cc1c([C@H](C)[NH2+]C[C@]23COC(=O)N2CCOC3)cccc1[N+](=O)[O-] ZINC000866523550 596240745 /nfs/dbraw/zinc/24/07/45/596240745.db2.gz FGUNOVNBORRFOT-LRDDRELGSA-N 1 0 335.360 1.775 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000867814149 596566606 /nfs/dbraw/zinc/56/66/06/596566606.db2.gz KBSURVNVZYRZAI-TZMCWYRMSA-N 1 0 339.417 1.618 20 5 EDBDRO CC(C)[C@H]1C[NH2+]CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000863546228 596613987 /nfs/dbraw/zinc/61/39/87/596613987.db2.gz GZVIOBAKWYVJOY-OAHLLOKOSA-N 1 0 338.383 1.992 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(N2CCC([NH+]3CCN(C)CC3)CC2)c1 ZINC000866212483 596829705 /nfs/dbraw/zinc/82/97/05/596829705.db2.gz GFOQBVWPFZBMGG-UHFFFAOYSA-N 1 0 334.420 1.820 20 5 EDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC1CS(=O)(=O)C1 ZINC000866344896 596862697 /nfs/dbraw/zinc/86/26/97/596862697.db2.gz BLJGSRYMNCVYPP-JTQLQIEISA-N 1 0 330.381 1.689 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000874095304 596925700 /nfs/dbraw/zinc/92/57/00/596925700.db2.gz RMEBITQBSWOYOI-UHFFFAOYSA-N 1 0 348.403 1.784 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000873135170 597207851 /nfs/dbraw/zinc/20/78/51/597207851.db2.gz YCFFQISPUVGRKZ-GFCCVEGCSA-N 1 0 327.406 1.335 20 5 EDBDRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000876473821 597215596 /nfs/dbraw/zinc/21/55/96/597215596.db2.gz ZRAXGIUZHCKRCM-AWEZNQCLSA-N 1 0 343.405 1.076 20 5 EDBDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000876702866 597294627 /nfs/dbraw/zinc/29/46/27/597294627.db2.gz GFFJDMPYXDXJIU-SMDDNHRTSA-N 1 0 327.768 1.631 20 5 EDBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877284942 597486617 /nfs/dbraw/zinc/48/66/17/597486617.db2.gz XCYAAWOGPMTRDG-UONOGXRCSA-N 1 0 341.371 1.747 20 5 EDBDRO COc1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000877366222 597502283 /nfs/dbraw/zinc/50/22/83/597502283.db2.gz JMJFEHYPIUPRSO-VHSXEESVSA-N 1 0 347.293 1.813 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879574991 597637924 /nfs/dbraw/zinc/63/79/24/597637924.db2.gz HOEOJYILJQDNPU-XJKSGUPXSA-N 1 0 332.404 1.868 20 5 EDBDRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000883473611 597764268 /nfs/dbraw/zinc/76/42/68/597764268.db2.gz FURJVBZWLQFWIC-CYBMUJFWSA-N 1 0 341.433 1.974 20 5 EDBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000879990679 597799919 /nfs/dbraw/zinc/79/99/19/597799919.db2.gz FQGLRPRSBHEKFT-VSKPTYQZSA-N 1 0 333.388 1.571 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000880129348 597848566 /nfs/dbraw/zinc/84/85/66/597848566.db2.gz HSLPSMYBQRAMJK-DJIMGWMZSA-N 1 0 335.404 1.503 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000880129350 597848683 /nfs/dbraw/zinc/84/86/83/597848683.db2.gz HSLPSMYBQRAMJK-USXIJHARSA-N 1 0 335.404 1.503 20 5 EDBDRO CN(C(=O)CN1CC[C@H]2[C@H]1CCC[N@@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC000880132781 597850929 /nfs/dbraw/zinc/85/09/29/597850929.db2.gz FXMQVFNHBYRGJK-JKSUJKDBSA-N 1 0 332.404 1.726 20 5 EDBDRO C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCN1c1cc[nH+]cc1 ZINC000880259738 597885677 /nfs/dbraw/zinc/88/56/77/597885677.db2.gz HISIWRBPZQZTFV-CQSZACIVSA-N 1 0 343.387 1.362 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1 ZINC000879342740 597893434 /nfs/dbraw/zinc/89/34/34/597893434.db2.gz UXDYKILYANTMBR-UHTWSYAYSA-N 1 0 334.294 1.731 20 5 EDBDRO CO[C@@H]1COCC[C@@H]1[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000880423036 597928019 /nfs/dbraw/zinc/92/80/19/597928019.db2.gz AXZPDDJZYNNRES-LSDHHAIUSA-N 1 0 338.360 1.697 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(C)CCN(C(=O)CC2(C)CC2)CC1 ZINC000940216028 700356706 /nfs/dbraw/zinc/35/67/06/700356706.db2.gz NRUQTTHRWZAOGF-UHFFFAOYSA-N 1 0 349.435 1.989 20 5 EDBDRO CCc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000996440897 702770188 /nfs/dbraw/zinc/77/01/88/702770188.db2.gz OLQNEFJHAMNVAG-IAGOWNOFSA-N 1 0 331.416 1.995 20 5 EDBDRO Cc1c[nH]cc1C(=O)N1CCC([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000997302649 703545348 /nfs/dbraw/zinc/54/53/48/703545348.db2.gz JYEIYGIVAFISLH-UHFFFAOYSA-N 1 0 346.391 1.359 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922850526 704437726 /nfs/dbraw/zinc/43/77/26/704437726.db2.gz YVFMQSRPLVUSSF-UHFFFAOYSA-N 1 0 333.388 1.968 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000075617044 704554202 /nfs/dbraw/zinc/55/42/02/704554202.db2.gz NYTVJCWKFNKART-UHFFFAOYSA-N 1 0 329.784 1.946 20 5 EDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000922160940 710029270 /nfs/dbraw/zinc/02/92/70/710029270.db2.gz ZZQUFLGVOOWUSM-LBPRGKRZSA-N 1 0 339.417 1.503 20 5 EDBDRO [NH3+]CCN(Cc1cnc(N2CCCC2)nc1)c1ccccc1[N+](=O)[O-] ZINC000558415909 306237834 /nfs/dbraw/zinc/23/78/34/306237834.db2.gz JNLUISCXWLTVIF-UHFFFAOYSA-N 1 0 342.403 1.950 20 5 EDBDRO CC[C@@]1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC[NH2+]1 ZINC000129002588 529519056 /nfs/dbraw/zinc/51/90/56/529519056.db2.gz SYNMDWNGNWTQJX-KRWDZBQOSA-N 1 0 332.404 1.776 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000175078250 231380929 /nfs/dbraw/zinc/38/09/29/231380929.db2.gz ZEICQHJDMNNMMI-QWRGUYRKSA-N 1 0 345.396 1.885 20 5 EDBDRO CC[NH+]1CCC(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067134883 215116511 /nfs/dbraw/zinc/11/65/11/215116511.db2.gz ZIQJPFKKARKOEE-UHFFFAOYSA-N 1 0 344.375 1.390 20 5 EDBDRO CC(C)C[NH+]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000067375332 215138658 /nfs/dbraw/zinc/13/86/58/215138658.db2.gz ARRXJOGHCNOMHH-QGZVFWFLSA-N 1 0 346.431 1.974 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[NH+]1CCCC1 ZINC000103162530 219264652 /nfs/dbraw/zinc/26/46/52/219264652.db2.gz LRYPRSDLQURRKC-UHFFFAOYSA-N 1 0 327.406 1.620 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000180863667 234013355 /nfs/dbraw/zinc/01/33/55/234013355.db2.gz NVDWQAAVHFNURD-NSHDSACASA-N 1 0 336.348 1.835 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(C2CCOCC2)CC1 ZINC000090589227 138279940 /nfs/dbraw/zinc/27/99/40/138279940.db2.gz WRXNRBVXDAQJHU-UHFFFAOYSA-N 1 0 335.404 1.895 20 5 EDBDRO C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187014394 236095510 /nfs/dbraw/zinc/09/55/10/236095510.db2.gz DMOZHCBHJXLADM-SDDRHHMPSA-N 1 0 336.392 1.792 20 5 EDBDRO O=C(CC[NH2+][C@@H]1CCc2c[nH]nc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000564565923 306361076 /nfs/dbraw/zinc/36/10/76/306361076.db2.gz ZFKOBHMPKKOACD-GFCCVEGCSA-N 1 0 329.360 1.794 20 5 EDBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564798861 306365363 /nfs/dbraw/zinc/36/53/63/306365363.db2.gz XPUKNPPTQHLMFH-CQSZACIVSA-N 1 0 343.380 1.498 20 5 EDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000107888374 219814330 /nfs/dbraw/zinc/81/43/30/219814330.db2.gz BAOJYFLZGYNRQC-NSHDSACASA-N 1 0 337.376 1.684 20 5 EDBDRO COc1cc(OCC(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)ccc1[N+](=O)[O-] ZINC000186502258 138817353 /nfs/dbraw/zinc/81/73/53/138817353.db2.gz LEFMRDITRDEDNS-LBPRGKRZSA-N 1 0 349.387 1.725 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC[C@H](C)O ZINC000072713957 216299151 /nfs/dbraw/zinc/29/91/51/216299151.db2.gz RGSBYKHNLVDGBT-NSHDSACASA-N 1 0 325.365 1.635 20 5 EDBDRO Cc1noc(C)c1CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566063606 306397295 /nfs/dbraw/zinc/39/72/95/306397295.db2.gz DSNAJMGXUJDIQO-CYBMUJFWSA-N 1 0 335.360 1.772 20 5 EDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000422809830 283962269 /nfs/dbraw/zinc/96/22/69/283962269.db2.gz SKNVSFIUHJFVTM-ZDUSSCGKSA-N 1 0 348.403 1.161 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]C[C@H]2CCC=CO2)c1 ZINC000194280147 138989019 /nfs/dbraw/zinc/98/90/19/138989019.db2.gz DHGPABBJPUPKBG-CYBMUJFWSA-N 1 0 341.389 1.155 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000226462018 139021764 /nfs/dbraw/zinc/02/17/64/139021764.db2.gz RVSWYXDFVVHCRR-SNVBAGLBSA-N 1 0 333.797 1.669 20 5 EDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000236788554 139031374 /nfs/dbraw/zinc/03/13/74/139031374.db2.gz JDMRLUODMUDBLP-ZDUSSCGKSA-N 1 0 346.391 1.621 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2CCC([NH3+])CC2)c1C ZINC000237667660 139057580 /nfs/dbraw/zinc/05/75/80/139057580.db2.gz ULWYGABPOGOWLG-UHFFFAOYSA-N 1 0 327.406 1.760 20 5 EDBDRO O=C([C@H]1CC12CC[NH2+]CC2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237993106 139065901 /nfs/dbraw/zinc/06/59/01/139065901.db2.gz AIECKIHHMXDVEN-MRXNPFEDSA-N 1 0 344.415 1.633 20 5 EDBDRO [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000415263426 304181079 /nfs/dbraw/zinc/18/10/79/304181079.db2.gz AWEQAEUAXWHWCZ-MRVPVSSYSA-N 1 0 326.740 1.136 20 5 EDBDRO CC[NH2+]CCNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415362346 304204258 /nfs/dbraw/zinc/20/42/58/304204258.db2.gz BAWMZCSUWUZERV-UHFFFAOYSA-N 1 0 336.392 1.557 20 5 EDBDRO CCCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CC[NH2+]C1 ZINC000415392454 304212884 /nfs/dbraw/zinc/21/28/84/304212884.db2.gz NSZXWBBGSQSXIS-ZDUSSCGKSA-N 1 0 334.376 1.442 20 5 EDBDRO CC1(C)CCC[NH2+][C@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261629887 139212803 /nfs/dbraw/zinc/21/28/03/139212803.db2.gz CXGOSIRNFHSBLQ-AWEZNQCLSA-N 1 0 341.433 1.792 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261753987 139223186 /nfs/dbraw/zinc/22/31/86/139223186.db2.gz JFDKQIMHYNZHBG-XUJVJEKNSA-N 1 0 348.403 1.299 20 5 EDBDRO Cc1c(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000261909752 139236038 /nfs/dbraw/zinc/23/60/38/139236038.db2.gz XXSQCOXVFUWKFN-PWSUYJOCSA-N 1 0 344.375 1.293 20 5 EDBDRO C[C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[C@@H]1C[NH3+] ZINC000262008920 139243438 /nfs/dbraw/zinc/24/34/38/139243438.db2.gz SOEXCMJDEVLTTK-MLGOLLRUSA-N 1 0 343.387 1.980 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000262031553 139245205 /nfs/dbraw/zinc/24/52/05/139245205.db2.gz YWTWMIXCAVSQJK-JTQLQIEISA-N 1 0 329.378 1.024 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000262039572 139245864 /nfs/dbraw/zinc/24/58/64/139245864.db2.gz HNEGCAPLFWCVDO-NHYWBVRUSA-N 1 0 336.392 1.180 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000262055067 139247055 /nfs/dbraw/zinc/24/70/55/139247055.db2.gz RGALBACSHXHCSK-CYBMUJFWSA-N 1 0 349.778 1.618 20 5 EDBDRO C[NH2+][C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1cnn(C)c1 ZINC000262305099 139268431 /nfs/dbraw/zinc/26/84/31/139268431.db2.gz BFNOUULGRINIPU-OAHLLOKOSA-N 1 0 329.360 1.174 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)cc1C ZINC000262451155 139279940 /nfs/dbraw/zinc/27/99/40/139279940.db2.gz HUJQAUZOXNCQIB-AWEZNQCLSA-N 1 0 327.406 1.571 20 5 EDBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417726235 251244275 /nfs/dbraw/zinc/24/42/75/251244275.db2.gz MJJAOTWIJUSKOG-MRXNPFEDSA-N 1 0 349.435 1.120 20 5 EDBDRO C[C@H](Cc1cnn(C)c1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569450157 306507940 /nfs/dbraw/zinc/50/79/40/306507940.db2.gz VVYKFOGKNXZYCY-TZMCWYRMSA-N 1 0 334.376 1.289 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1C ZINC000262486892 139281786 /nfs/dbraw/zinc/28/17/86/139281786.db2.gz KMFAKBSUGJJQTC-NWDGAFQWSA-N 1 0 327.406 1.630 20 5 EDBDRO C[C@@H](NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000417993999 251318993 /nfs/dbraw/zinc/31/89/93/251318993.db2.gz YMLHFQHANPKNRI-ZIAGYGMSSA-N 1 0 347.419 1.345 20 5 EDBDRO [NH3+]CC[C@@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C(F)F ZINC000418726009 251398502 /nfs/dbraw/zinc/39/85/02/251398502.db2.gz CQOQHSDDYYHQDJ-GFCCVEGCSA-N 1 0 344.318 1.350 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000262587909 139288560 /nfs/dbraw/zinc/28/85/60/139288560.db2.gz XLBGXNBJGCHQQZ-LBPRGKRZSA-N 1 0 343.387 1.677 20 5 EDBDRO CCOC(=O)c1ccnc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1[N+](=O)[O-] ZINC000420209258 251645026 /nfs/dbraw/zinc/64/50/26/251645026.db2.gz BUUZZEXBCSVUJX-FOSCPWQOSA-N 1 0 334.376 1.886 20 5 EDBDRO CC(C)[C@@H]([NH3+])CCN(C)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000420213246 251646377 /nfs/dbraw/zinc/64/63/77/251646377.db2.gz YFGMJUAPBLAUGA-ZDUSSCGKSA-N 1 0 330.410 1.052 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000262736143 139300002 /nfs/dbraw/zinc/30/00/02/139300002.db2.gz GZVPDBCQJBCWCT-VIFPVBQESA-N 1 0 333.797 1.526 20 5 EDBDRO COC(=O)c1cc(NC(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000415592878 304234841 /nfs/dbraw/zinc/23/48/41/304234841.db2.gz CWRPSTSIOFWSHL-GXSJLCMTSA-N 1 0 336.348 1.643 20 5 EDBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 ZINC000420938449 251785621 /nfs/dbraw/zinc/78/56/21/251785621.db2.gz MNAHXUNKINFIMU-CQSZACIVSA-N 1 0 337.376 1.395 20 5 EDBDRO C[NH2+][C@H]1CCN(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)C1 ZINC000415595484 304235433 /nfs/dbraw/zinc/23/54/33/304235433.db2.gz HFJXJYHOEZYZLV-NSHDSACASA-N 1 0 336.348 1.515 20 5 EDBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000424005429 252112836 /nfs/dbraw/zinc/11/28/36/252112836.db2.gz RWAYJKBZCKOQGP-SJLPKXTDSA-N 1 0 347.415 1.882 20 5 EDBDRO C[C@H]1CC2(CN1C(=O)COc1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000424222422 252169202 /nfs/dbraw/zinc/16/92/02/252169202.db2.gz IVJZZXMAMLGMIA-ZDUSSCGKSA-N 1 0 333.388 1.964 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415613978 304239052 /nfs/dbraw/zinc/23/90/52/304239052.db2.gz AWSOBSZIFDAQEM-PELKAZGASA-N 1 0 340.767 1.301 20 5 EDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000443457914 285153688 /nfs/dbraw/zinc/15/36/88/285153688.db2.gz YEKULTQSNIAXLI-CQSZACIVSA-N 1 0 325.390 1.251 20 5 EDBDRO CC[NH+]1CCC(CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000359493194 285183801 /nfs/dbraw/zinc/18/38/01/285183801.db2.gz KKSHBQVXOJJCHH-UHFFFAOYSA-N 1 0 337.424 1.765 20 5 EDBDRO COc1ccc([C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000174704736 533133035 /nfs/dbraw/zinc/13/30/35/533133035.db2.gz BYASLXLABLUNSJ-RDJZCZTQSA-N 1 0 346.387 1.902 20 5 EDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000488837896 255056549 /nfs/dbraw/zinc/05/65/49/255056549.db2.gz KSQMIZLOFSZDLP-LBPRGKRZSA-N 1 0 337.351 1.528 20 5 EDBDRO C[NH+](C)C[C@H]1CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000491839459 255151350 /nfs/dbraw/zinc/15/13/50/255151350.db2.gz SOGRYMSIJJVJHC-SDQPKGBYSA-N 1 0 337.351 1.536 20 5 EDBDRO COC(=O)N1CCC(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000496377776 255389029 /nfs/dbraw/zinc/38/90/29/255389029.db2.gz SSPZIFWLWXNVKY-HNNXBMFYSA-N 1 0 337.376 1.696 20 5 EDBDRO C[C@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000117035543 221024866 /nfs/dbraw/zinc/02/48/66/221024866.db2.gz QLOBGDGLWGRHTL-WFASDCNBSA-N 1 0 336.392 1.628 20 5 EDBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000118112256 221119790 /nfs/dbraw/zinc/11/97/90/221119790.db2.gz OAYXQETXAMDKIE-CYBMUJFWSA-N 1 0 348.403 1.770 20 5 EDBDRO NC(=O)c1ccc(CN2CCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000118828482 221190685 /nfs/dbraw/zinc/19/06/85/221190685.db2.gz FTBQWLSYGVWEKJ-HNNXBMFYSA-N 1 0 332.404 1.754 20 5 EDBDRO CC[N@@H+]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000118826592 221190887 /nfs/dbraw/zinc/19/08/87/221190887.db2.gz ZOMVCDPZUVVRJS-UHFFFAOYSA-N 1 0 336.392 1.570 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000264580415 139417139 /nfs/dbraw/zinc/41/71/39/139417139.db2.gz JLGMVGDABNULBV-SJORKVTESA-N 1 0 349.431 1.895 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000195305291 291994708 /nfs/dbraw/zinc/99/47/08/291994708.db2.gz HYDYZNIATGXEMH-TXEJJXNPSA-N 1 0 325.390 1.052 20 5 EDBDRO COc1cc(C(=O)N(C)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC(F)F ZINC000269146971 139883694 /nfs/dbraw/zinc/88/36/94/139883694.db2.gz HLOGTWKPTRLBSW-QMMMGPOBSA-N 1 0 345.302 1.639 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000269187620 139890615 /nfs/dbraw/zinc/89/06/15/139890615.db2.gz GKTUXBHNFYSFKA-JQWIXIFHSA-N 1 0 337.376 1.811 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000359982667 296516493 /nfs/dbraw/zinc/51/64/93/296516493.db2.gz YCTCYSTYFCQEGS-RYUDHWBXSA-N 1 0 325.390 1.261 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000416380859 304313523 /nfs/dbraw/zinc/31/35/23/304313523.db2.gz CKDAPVPXCSUIAO-GFCCVEGCSA-N 1 0 327.406 1.536 20 5 EDBDRO CC[C@H](NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000343771591 142886962 /nfs/dbraw/zinc/88/69/62/142886962.db2.gz OYIMSXRNUIQZJW-HUORLRHWSA-N 1 0 345.399 1.977 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC[N@@H+]1C ZINC000345126484 143053773 /nfs/dbraw/zinc/05/37/73/143053773.db2.gz HJERHBXGJMXBIH-CHWSQXEVSA-N 1 0 348.403 1.850 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000345321711 143077716 /nfs/dbraw/zinc/07/77/16/143077716.db2.gz OKZQRKNLCLBOJJ-GXTWGEPZSA-N 1 0 348.403 1.232 20 5 EDBDRO C[C@H](C[NH+](C)C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000346157296 143173471 /nfs/dbraw/zinc/17/34/71/143173471.db2.gz KGFRQEUGKJFDGK-LLVKDONJSA-N 1 0 332.360 1.588 20 5 EDBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H](C)C1 ZINC000346157638 143173516 /nfs/dbraw/zinc/17/35/16/143173516.db2.gz CETYCOSWEFSVFC-SLEUVZQESA-N 1 0 332.404 1.979 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000346198769 143178014 /nfs/dbraw/zinc/17/80/14/143178014.db2.gz RNHGMSUFQFWMCN-IUODEOHRSA-N 1 0 338.429 1.940 20 5 EDBDRO Cc1c([C@@H](C)[NH2+]CCNC(=O)c2cnccn2)cccc1[N+](=O)[O-] ZINC000346797459 143246595 /nfs/dbraw/zinc/24/65/95/143246595.db2.gz RPRUHOQYQPXOID-GFCCVEGCSA-N 1 0 329.360 1.774 20 5 EDBDRO C[C@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000347075204 143279646 /nfs/dbraw/zinc/27/96/46/143279646.db2.gz AGFFSFFHDDYZHZ-IINYFYTJSA-N 1 0 325.340 1.261 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(C[NH+](C)C)CC1 ZINC000347216547 143296058 /nfs/dbraw/zinc/29/60/58/143296058.db2.gz JVFCNJWNQGKXPC-UHFFFAOYSA-N 1 0 341.433 1.866 20 5 EDBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000347722320 143354502 /nfs/dbraw/zinc/35/45/02/143354502.db2.gz PHMWTWOUKFHGJI-LBPRGKRZSA-N 1 0 336.392 1.259 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@H]2C2CC2)c1 ZINC000348063820 143396786 /nfs/dbraw/zinc/39/67/86/143396786.db2.gz NJVOVCJRBWNYLU-LSDHHAIUSA-N 1 0 339.417 1.651 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C[NH+](C)C ZINC000416509406 304327009 /nfs/dbraw/zinc/32/70/09/304327009.db2.gz RHQTWXKIEQYTAY-UHFFFAOYSA-N 1 0 329.422 1.776 20 5 EDBDRO Cc1nn(C)c(C(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000369769580 155169113 /nfs/dbraw/zinc/16/91/13/155169113.db2.gz AGUAABBNXIPPQI-KBPBESRZSA-N 1 0 343.387 1.464 20 5 EDBDRO Cc1nn(C)c(C(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000369769583 155169573 /nfs/dbraw/zinc/16/95/73/155169573.db2.gz AGUAABBNXIPPQI-ZIAGYGMSSA-N 1 0 343.387 1.464 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352658950 149105176 /nfs/dbraw/zinc/10/51/76/149105176.db2.gz HJSHDTQCUVPUBM-BPNCWPANSA-N 1 0 337.376 1.776 20 5 EDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@@H]1C ZINC000352665458 149106809 /nfs/dbraw/zinc/10/68/09/149106809.db2.gz QNLTTWIEILLNQS-WDEREUQCSA-N 1 0 335.360 1.878 20 5 EDBDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352782420 149164295 /nfs/dbraw/zinc/16/42/95/149164295.db2.gz DIYMFSVCUPVAKR-HNNXBMFYSA-N 1 0 326.349 1.661 20 5 EDBDRO C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000353051902 149267824 /nfs/dbraw/zinc/26/78/24/149267824.db2.gz WZCLYKFRNPADHQ-MLGOLLRUSA-N 1 0 348.403 1.375 20 5 EDBDRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000353108025 149289979 /nfs/dbraw/zinc/28/99/79/149289979.db2.gz GMPSYZHHAXFKSV-ZDUSSCGKSA-N 1 0 345.396 1.638 20 5 EDBDRO Cc1nn(C)c(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000355713026 150370247 /nfs/dbraw/zinc/37/02/47/150370247.db2.gz FDMCYGXMVCHEAY-QGZVFWFLSA-N 1 0 345.403 1.686 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000361905194 286197424 /nfs/dbraw/zinc/19/74/24/286197424.db2.gz CVHDAWBSDXNMQZ-FZMZJTMJSA-N 1 0 349.387 1.778 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@H]4C[NH2+]C[C@H]4C3)n2)c1 ZINC000357089163 150920466 /nfs/dbraw/zinc/92/04/66/150920466.db2.gz YDTYAVNEJDPUNU-OLZOCXBDSA-N 1 0 329.360 1.686 20 5 EDBDRO C[NH+](C)Cc1cc(CNc2nccc(C(N)=O)c2[N+](=O)[O-])ccc1F ZINC000357526206 151057543 /nfs/dbraw/zinc/05/75/43/151057543.db2.gz DUXUTHLICYNMBU-UHFFFAOYSA-N 1 0 347.350 1.902 20 5 EDBDRO CCn1cc(S(=O)(=O)NCC2([NH3+])CCCCCC2)c([N+](=O)[O-])n1 ZINC000357762301 151142573 /nfs/dbraw/zinc/14/25/73/151142573.db2.gz ZLPXLURUKXTQDL-UHFFFAOYSA-N 1 0 345.425 1.141 20 5 EDBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000357965946 151213887 /nfs/dbraw/zinc/21/38/87/151213887.db2.gz UBOCGPXVXMCNGZ-XQQFMLRXSA-N 1 0 335.408 1.806 20 5 EDBDRO CSc1ccc(C(=O)N2CCC(O)(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000573844182 306636914 /nfs/dbraw/zinc/63/69/14/306636914.db2.gz LARADQPFRWYJOO-UHFFFAOYSA-N 1 0 325.390 1.243 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c(Cl)c1 ZINC000370102805 155325186 /nfs/dbraw/zinc/32/51/86/155325186.db2.gz PISAZMRXLVRPNK-SKDRFNHKSA-N 1 0 345.808 1.621 20 5 EDBDRO C[C@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000417137847 304376889 /nfs/dbraw/zinc/37/68/89/304376889.db2.gz NFBLFXHFBHCOLP-CABZTGNLSA-N 1 0 328.319 1.952 20 5 EDBDRO C[C@H](NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000417140113 304376926 /nfs/dbraw/zinc/37/69/26/304376926.db2.gz PJZZDOWMKJESCT-BBRMVZONSA-N 1 0 347.419 1.345 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000360881086 152239701 /nfs/dbraw/zinc/23/97/01/152239701.db2.gz KRUKKIXTEMJLLR-CYBMUJFWSA-N 1 0 325.413 1.888 20 5 EDBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000360927040 152254545 /nfs/dbraw/zinc/25/45/45/152254545.db2.gz LUDSSKIQBDBFRX-QGZVFWFLSA-N 1 0 346.431 1.376 20 5 EDBDRO COc1cc(C(=O)N[C@H]2C[C@@H]2C2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000361094486 152300630 /nfs/dbraw/zinc/30/06/30/152300630.db2.gz GOKOFDQSHBBEMX-YPMHNXCESA-N 1 0 349.387 1.730 20 5 EDBDRO CS[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1[NH+]1CCCC1 ZINC000362010186 152585798 /nfs/dbraw/zinc/58/57/98/152585798.db2.gz BOVLOADLEDQXSY-CHWSQXEVSA-N 1 0 325.438 1.303 20 5 EDBDRO COc1ccc(CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000417177436 304380783 /nfs/dbraw/zinc/38/07/83/304380783.db2.gz CWBFQWZHGBIOFV-MELADBBJSA-N 1 0 348.403 1.791 20 5 EDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000364965190 153384546 /nfs/dbraw/zinc/38/45/46/153384546.db2.gz SSPCKVPOZNCHGG-GFCCVEGCSA-N 1 0 333.392 1.663 20 5 EDBDRO C[NH+](C)C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)c2ccccc2O1 ZINC000366173242 153740124 /nfs/dbraw/zinc/74/01/24/153740124.db2.gz LRHUJEPIJZZEEA-ZDUSSCGKSA-N 1 0 331.376 1.621 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000367580708 154185597 /nfs/dbraw/zinc/18/55/97/154185597.db2.gz BJQCNOSWSZNGSQ-BXUZGUMPSA-N 1 0 325.390 1.310 20 5 EDBDRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000367650875 154214613 /nfs/dbraw/zinc/21/46/13/154214613.db2.gz LILIPNFBOPXKTJ-XYYAHUGASA-N 1 0 341.371 1.875 20 5 EDBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000367904222 154319295 /nfs/dbraw/zinc/31/92/95/154319295.db2.gz OEVBVWPLMHWKPM-WCQYABFASA-N 1 0 347.371 1.928 20 5 EDBDRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000574585046 306653820 /nfs/dbraw/zinc/65/38/20/306653820.db2.gz QVJYXSKXUNUSTA-UHFFFAOYSA-N 1 0 331.419 1.548 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000369096636 154870324 /nfs/dbraw/zinc/87/03/24/154870324.db2.gz SFKPOAJEZNPWIE-OAHLLOKOSA-N 1 0 349.435 1.967 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]2C(=O)NC[C@H]21 ZINC000374157105 157168919 /nfs/dbraw/zinc/16/89/19/157168919.db2.gz DZGVNJFYDKPBGR-TZMCWYRMSA-N 1 0 332.360 1.052 20 5 EDBDRO Cn1ccnc1[C@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000374365840 157261283 /nfs/dbraw/zinc/26/12/83/157261283.db2.gz LVOUFKXPCREXLU-LBPRGKRZSA-N 1 0 330.344 1.723 20 5 EDBDRO O=C(CC[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000375352133 157554111 /nfs/dbraw/zinc/55/41/11/157554111.db2.gz GTRXZPKMFWJJQH-SUMWQHHRSA-N 1 0 346.387 1.570 20 5 EDBDRO NC(=O)c1ccc(C[NH+]2CCC(c3c[nH]cn3)CC2)c([N+](=O)[O-])c1 ZINC000378063409 158068796 /nfs/dbraw/zinc/06/87/96/158068796.db2.gz WKCDUSFICUANIQ-UHFFFAOYSA-N 1 0 329.360 1.796 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000378538934 158203951 /nfs/dbraw/zinc/20/39/51/158203951.db2.gz HVPZGDCCBHQKPJ-SGMGOOAPSA-N 1 0 330.388 1.733 20 5 EDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417929370 304433154 /nfs/dbraw/zinc/43/31/54/304433154.db2.gz AAQBFRSRRIAODC-GFCCVEGCSA-N 1 0 328.319 1.434 20 5 EDBDRO COc1cc(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000352544412 162241179 /nfs/dbraw/zinc/24/11/79/162241179.db2.gz AILVCIKOFIWEOH-CZUORRHYSA-N 1 0 335.404 1.756 20 5 EDBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000417986876 304442595 /nfs/dbraw/zinc/44/25/95/304442595.db2.gz ISWPSXKRUWKSRE-UHFFFAOYSA-N 1 0 326.784 1.796 20 5 EDBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000067612503 287246309 /nfs/dbraw/zinc/24/63/09/287246309.db2.gz GAEFEZOOILRAEZ-AWEZNQCLSA-N 1 0 348.447 1.907 20 5 EDBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000068310909 287248151 /nfs/dbraw/zinc/24/81/51/287248151.db2.gz SCYMOJZDYSACEM-UHFFFAOYSA-N 1 0 331.376 1.382 20 5 EDBDRO CC[NH+]1CCN([C@H](C)CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000112916925 287341762 /nfs/dbraw/zinc/34/17/62/287341762.db2.gz KRKXXQKAUKNKFM-RZIFZGNASA-N 1 0 346.431 1.750 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(C(N)=O)CCCCC1 ZINC000123226404 287386014 /nfs/dbraw/zinc/38/60/14/287386014.db2.gz IPEYBBIPTVCGMN-UHFFFAOYSA-N 1 0 334.376 1.620 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000122202161 222036044 /nfs/dbraw/zinc/03/60/44/222036044.db2.gz DVBPXTUMYGORHZ-GFCCVEGCSA-N 1 0 337.376 1.636 20 5 EDBDRO Cc1nn(CCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000124009101 222365020 /nfs/dbraw/zinc/36/50/20/222365020.db2.gz ZUAURBXINQXZSC-BXUZGUMPSA-N 1 0 337.424 1.739 20 5 EDBDRO [NH3+]C[C@@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000418393925 304490526 /nfs/dbraw/zinc/49/05/26/304490526.db2.gz FRIIIFKRKVJUEH-MRXNPFEDSA-N 1 0 348.403 1.885 20 5 EDBDRO COc1cc(S(=O)(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000262757274 273017947 /nfs/dbraw/zinc/01/79/47/273017947.db2.gz DZLTWHRAVXBAAT-VHSXEESVSA-N 1 0 329.378 1.022 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1cccs1 ZINC000027678044 267379826 /nfs/dbraw/zinc/37/98/26/267379826.db2.gz RXFVLEUYJPXOKI-NSHDSACASA-N 1 0 336.373 1.377 20 5 EDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000160532805 267503628 /nfs/dbraw/zinc/50/36/28/267503628.db2.gz LTLWQBADYLLPCL-SECBINFHSA-N 1 0 325.390 1.759 20 5 EDBDRO C[N@H+](CCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CC1 ZINC000272946109 273024533 /nfs/dbraw/zinc/02/45/33/273024533.db2.gz FKDQNMNASHGDHU-OAHLLOKOSA-N 1 0 332.360 1.298 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273386695 268039381 /nfs/dbraw/zinc/03/93/81/268039381.db2.gz JDHMADRPVFDCHK-SNVBAGLBSA-N 1 0 326.328 1.576 20 5 EDBDRO CCN1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000273509212 268054712 /nfs/dbraw/zinc/05/47/12/268054712.db2.gz OIXBCVSRRUKHNT-UHFFFAOYSA-N 1 0 334.376 1.396 20 5 EDBDRO C[C@@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000275565605 268361305 /nfs/dbraw/zinc/36/13/05/268361305.db2.gz OCDWHVOOEWGALA-NEPJUHHUSA-N 1 0 343.387 1.803 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N(C)C[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000275961048 268387354 /nfs/dbraw/zinc/38/73/54/268387354.db2.gz HMCMSTQNMRRXRG-LBPRGKRZSA-N 1 0 334.376 1.252 20 5 EDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCC[C@H]2n2cc(CO)nn2)c1 ZINC000276680523 268461034 /nfs/dbraw/zinc/46/10/34/268461034.db2.gz LMIXYKQNHQMLNV-JKSUJKDBSA-N 1 0 331.376 1.952 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCC=CO2)cc1 ZINC000278533480 268677294 /nfs/dbraw/zinc/67/72/94/268677294.db2.gz VPVMIZDRHOKKTL-CYBMUJFWSA-N 1 0 326.374 1.651 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000273442574 273040185 /nfs/dbraw/zinc/04/01/85/273040185.db2.gz NMNFNGITCARZLW-HFBDAHEESA-N 1 0 333.388 1.835 20 5 EDBDRO O=[N+]([O-])c1cnc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)nc1 ZINC000273564630 273045120 /nfs/dbraw/zinc/04/51/20/273045120.db2.gz CFIKYDZWTOXTTE-UHFFFAOYSA-N 1 0 343.387 1.954 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000043285513 272910503 /nfs/dbraw/zinc/91/05/03/272910503.db2.gz VTQRJTOEHWXNHW-ZDUSSCGKSA-N 1 0 347.375 1.728 20 5 EDBDRO COc1ccc(NC(=O)CC[N@H+](C)CCCCO)c([N+](=O)[O-])c1 ZINC000276353708 273162675 /nfs/dbraw/zinc/16/26/75/273162675.db2.gz IZXIHNXEMSBSPH-UHFFFAOYSA-N 1 0 325.365 1.636 20 5 EDBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@](O)(c3nc(C4CC4)no3)C2)cc1 ZINC000277363626 273192982 /nfs/dbraw/zinc/19/29/82/273192982.db2.gz IPJREZKOFNWWJA-INIZCTEOSA-N 1 0 330.344 1.949 20 5 EDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(OCCO)CCOCC2)c(Cl)c1 ZINC000282558652 273677437 /nfs/dbraw/zinc/67/74/37/273677437.db2.gz DNFZHCDCBURHCG-UHFFFAOYSA-N 1 0 344.795 1.896 20 5 EDBDRO COCC[N@@H+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H]1C ZINC000357321218 274032695 /nfs/dbraw/zinc/03/26/95/274032695.db2.gz FTGMVOGSNKAFOM-GFCCVEGCSA-N 1 0 331.376 1.695 20 5 EDBDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000284368342 274177587 /nfs/dbraw/zinc/17/75/87/274177587.db2.gz DWDFODXKURSLNM-CQSZACIVSA-N 1 0 348.403 1.574 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC[C@H]21 ZINC000284450425 274206678 /nfs/dbraw/zinc/20/66/78/274206678.db2.gz QXXMIVZKAOCJGR-IINYFYTJSA-N 1 0 336.367 1.872 20 5 EDBDRO C[C@@H](C[NH3+])N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269230157 274215410 /nfs/dbraw/zinc/21/54/10/274215410.db2.gz VHUKTGUERLHJSN-LURJTMIESA-N 1 0 334.145 1.916 20 5 EDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)COc2cccc([N+](=O)[O-])c2)[N@H+](C)C1 ZINC000284515667 274230755 /nfs/dbraw/zinc/23/07/55/274230755.db2.gz DQJHEPVZVAJSGZ-ZFWWWQNUSA-N 1 0 337.376 1.151 20 5 EDBDRO NC(=O)[C@H]1CCO[C@@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000284537564 274237634 /nfs/dbraw/zinc/23/76/34/274237634.db2.gz LLXIMNXEAYJYOD-JKSUJKDBSA-N 1 0 333.388 1.697 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000284734245 274312593 /nfs/dbraw/zinc/31/25/93/274312593.db2.gz KMFPKJCRUHEERC-OIISXLGYSA-N 1 0 336.388 1.978 20 5 EDBDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC000285334123 274513633 /nfs/dbraw/zinc/51/36/33/274513633.db2.gz ULHGKQWWSDORCZ-PWSUYJOCSA-N 1 0 346.391 1.581 20 5 EDBDRO C[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000373865482 274592528 /nfs/dbraw/zinc/59/25/28/274592528.db2.gz JCNJTFXOLKMWGQ-DZGCQCFKSA-N 1 0 333.436 1.639 20 5 EDBDRO Cc1nc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000362395303 274842480 /nfs/dbraw/zinc/84/24/80/274842480.db2.gz IJEWUZJZAOQHJR-ZFWWWQNUSA-N 1 0 333.436 1.760 20 5 EDBDRO CC(C)(C)CC[NH+]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357303866 275510624 /nfs/dbraw/zinc/51/06/24/275510624.db2.gz QARZWMWYPUVIBV-UHFFFAOYSA-N 1 0 335.408 1.647 20 5 EDBDRO CC[NH+](CC)CCNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000411254964 276098826 /nfs/dbraw/zinc/09/88/26/276098826.db2.gz OHZGPYGVYIQKIZ-UHFFFAOYSA-N 1 0 327.356 1.743 20 5 EDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CC[NH2+]C1 ZINC000179085422 276746802 /nfs/dbraw/zinc/74/68/02/276746802.db2.gz WZOMTBVOEIXCPF-VIFPVBQESA-N 1 0 328.166 1.791 20 5 EDBDRO C[NH+](C)[C@@]1(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000267234354 276787203 /nfs/dbraw/zinc/78/72/03/276787203.db2.gz WZWKUUNYSAKAAL-OAHLLOKOSA-N 1 0 338.433 1.831 20 5 EDBDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000103162122 276838141 /nfs/dbraw/zinc/83/81/41/276838141.db2.gz MJSFYWLAGKUQFT-UHFFFAOYSA-N 1 0 347.824 1.965 20 5 EDBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193422298 277046961 /nfs/dbraw/zinc/04/69/61/277046961.db2.gz BCHMFYSFSXHJFE-HNNXBMFYSA-N 1 0 333.436 1.783 20 5 EDBDRO COCC[N@H+](C)CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272589621 277213568 /nfs/dbraw/zinc/21/35/68/277213568.db2.gz ZYBPLRUYLQEFPF-MRXNPFEDSA-N 1 0 347.419 1.586 20 5 EDBDRO CC(=O)c1cc(N2CCCC[C@H]2CNC(=O)CC[NH3+])ccc1[N+](=O)[O-] ZINC000420251858 278244291 /nfs/dbraw/zinc/24/42/91/278244291.db2.gz YGAHVDAHLUAQDR-AWEZNQCLSA-N 1 0 348.403 1.621 20 5 EDBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000193694083 279624287 /nfs/dbraw/zinc/62/42/87/279624287.db2.gz VXVDAKNCOLBVOP-AWEZNQCLSA-N 1 0 334.376 1.055 20 5 EDBDRO O=C(NCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccn[nH]1 ZINC000447593468 279843665 /nfs/dbraw/zinc/84/36/65/279843665.db2.gz SCVIFIJUSDWLIP-YPMHNXCESA-N 1 0 347.379 1.018 20 5 EDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000360278174 280022243 /nfs/dbraw/zinc/02/22/43/280022243.db2.gz FFJUNYLRWDRLGS-CABCVRRESA-N 1 0 334.376 1.658 20 5 EDBDRO Cc1c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000368180982 280210562 /nfs/dbraw/zinc/21/05/62/280210562.db2.gz SYFUTUWJCAHLGY-GXFFZTMASA-N 1 0 334.332 1.554 20 5 EDBDRO C[C@@H]1[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000291756630 289172056 /nfs/dbraw/zinc/17/20/56/289172056.db2.gz KZNHNFZWAOVZMU-TZMCWYRMSA-N 1 0 343.387 1.721 20 5 EDBDRO [NH3+]C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC12CCOCC2 ZINC000420265139 295260636 /nfs/dbraw/zinc/26/06/36/295260636.db2.gz DPRGGYUDWGOTOE-GFCCVEGCSA-N 1 0 332.404 1.755 20 5 EDBDRO CCC([NH3+])(CC)CNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000419755474 304680251 /nfs/dbraw/zinc/68/02/51/304680251.db2.gz DESJTZRMMHGXAH-UHFFFAOYSA-N 1 0 336.392 1.153 20 5 EDBDRO C[C@@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000420298007 304745103 /nfs/dbraw/zinc/74/51/03/304745103.db2.gz ZMBMJOWTGIMXJR-BXUZGUMPSA-N 1 0 327.406 1.038 20 5 EDBDRO COc1ccc(NC(=O)CN2CCC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420389613 304754242 /nfs/dbraw/zinc/75/42/42/304754242.db2.gz XSFPRHZZENQODU-QGZVFWFLSA-N 1 0 348.403 1.617 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000420410884 304756508 /nfs/dbraw/zinc/75/65/08/304756508.db2.gz ASQQXEPSIPAGKO-GFCCVEGCSA-N 1 0 341.433 1.960 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000104747974 302041327 /nfs/dbraw/zinc/04/13/27/302041327.db2.gz JUQKXWCSUBMPBW-LBPRGKRZSA-N 1 0 327.406 1.475 20 5 EDBDRO C[C@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000293652494 302998454 /nfs/dbraw/zinc/99/84/54/302998454.db2.gz FFBDLBKROQSACC-LLVKDONJSA-N 1 0 332.364 1.103 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])cc1OC ZINC000293892905 303034723 /nfs/dbraw/zinc/03/47/23/303034723.db2.gz NAZSGOKUVCIQRZ-QGZVFWFLSA-N 1 0 349.387 1.780 20 5 EDBDRO COc1cc(OCC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000293934187 303040737 /nfs/dbraw/zinc/04/07/37/303040737.db2.gz IGZKRVFSPUGAQG-TXEJJXNPSA-N 1 0 337.376 1.533 20 5 EDBDRO Cc1nn(CCC(=O)Nc2ccnn2CC[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000294107339 303063779 /nfs/dbraw/zinc/06/37/79/303063779.db2.gz OVRFJWZGTSHYGF-UHFFFAOYSA-N 1 0 349.395 1.195 20 5 EDBDRO CO[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC1 ZINC000294720549 303139104 /nfs/dbraw/zinc/13/91/04/303139104.db2.gz WFEWGORUXKOOGX-HNNXBMFYSA-N 1 0 330.344 1.935 20 5 EDBDRO C[C@@]1(F)CNCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000295227614 303191485 /nfs/dbraw/zinc/19/14/85/303191485.db2.gz NLWYPXDAIXHYNG-OAHLLOKOSA-N 1 0 325.340 1.524 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)[C@H](C)CO ZINC000295759518 303262842 /nfs/dbraw/zinc/26/28/42/303262842.db2.gz OUBBMHDVRFJGAQ-GHMZBOCLSA-N 1 0 325.365 1.539 20 5 EDBDRO COC[C@]1(C)CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000296721400 303334130 /nfs/dbraw/zinc/33/41/30/303334130.db2.gz NNXHFZKOQABHAC-QGZVFWFLSA-N 1 0 333.388 1.842 20 5 EDBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000298477441 303527059 /nfs/dbraw/zinc/52/70/59/303527059.db2.gz SYCPKLUYHVSSNB-NSHDSACASA-N 1 0 342.421 1.529 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000301564001 303684742 /nfs/dbraw/zinc/68/47/42/303684742.db2.gz YRROQXCDOSNQBN-ZDUSSCGKSA-N 1 0 349.435 1.392 20 5 EDBDRO C[NH+](C)[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C1CC1 ZINC000301877583 303701046 /nfs/dbraw/zinc/70/10/46/303701046.db2.gz JBUDXUAHQJTVIZ-LBPRGKRZSA-N 1 0 327.406 1.750 20 5 EDBDRO C[NH+](C)[C@H]1CC[C@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301921519 303703737 /nfs/dbraw/zinc/70/37/37/303703737.db2.gz JOGHPIXEYPOKOY-UWVGGRQHSA-N 1 0 328.394 1.137 20 5 EDBDRO [NH3+]CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)F ZINC000394757471 303854401 /nfs/dbraw/zinc/85/44/01/303854401.db2.gz BRSQGKKBQLUTCL-MRVPVSSYSA-N 1 0 343.739 1.509 20 5 EDBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1C[NH2+]C[C@H]1O ZINC000423682389 304903905 /nfs/dbraw/zinc/90/39/05/304903905.db2.gz VVFDLNQZLYTFSM-LDYMZIIASA-N 1 0 345.808 1.037 20 5 EDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000424007201 304924513 /nfs/dbraw/zinc/92/45/13/304924513.db2.gz BSXZHRNIOLDAMJ-AAEUAGOBSA-N 1 0 339.417 1.652 20 5 EDBDRO [NH3+]C1(CNC(=O)CCn2cc([N+](=O)[O-])cn2)C2CC3CC(C2)CC1C3 ZINC000424040505 304925953 /nfs/dbraw/zinc/92/59/53/304925953.db2.gz FXRLXJWCHVIZFK-UHFFFAOYSA-N 1 0 347.419 1.451 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428044763 305005477 /nfs/dbraw/zinc/00/54/77/305005477.db2.gz VJDWQYJPKYFBSN-OUCADQQQSA-N 1 0 348.403 1.614 20 5 EDBDRO COc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc([N+](=O)[O-])c1OC ZINC000428630893 305013368 /nfs/dbraw/zinc/01/33/68/305013368.db2.gz YKPBUWSMJDOJHC-FOSCPWQOSA-N 1 0 335.360 1.625 20 5 EDBDRO CC(C)([NH2+]C[C@H](O)COC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000429264443 305027126 /nfs/dbraw/zinc/02/71/26/305027126.db2.gz MOGRMJLPGBQISO-ZDUSSCGKSA-N 1 0 338.404 1.976 20 5 EDBDRO C[NH+]1CCN(CCCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429910284 305039991 /nfs/dbraw/zinc/03/99/91/305039991.db2.gz NKSPKOQGQOWLNO-UHFFFAOYSA-N 1 0 348.447 1.626 20 5 EDBDRO COc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430644780 305061006 /nfs/dbraw/zinc/06/10/06/305061006.db2.gz ZHMKXISYTVNEKB-NEPJUHHUSA-N 1 0 336.392 1.601 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430649765 305061231 /nfs/dbraw/zinc/06/12/31/305061231.db2.gz SWQSYEKECNUHPS-LBPRGKRZSA-N 1 0 336.392 1.473 20 5 EDBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000430832688 305065478 /nfs/dbraw/zinc/06/54/78/305065478.db2.gz ILNUAALGWVQDCW-STQMWFEESA-N 1 0 338.412 1.203 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000434503189 305123814 /nfs/dbraw/zinc/12/38/14/305123814.db2.gz HBUAPKHGUDTALR-OAHLLOKOSA-N 1 0 344.419 1.677 20 5 EDBDRO CCN1CC[NH+](C[C@H](C)CNc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000439105099 305194081 /nfs/dbraw/zinc/19/40/81/305194081.db2.gz GXVFYEUPVQVLTQ-CYBMUJFWSA-N 1 0 349.435 1.379 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000440404892 305205833 /nfs/dbraw/zinc/20/58/33/305205833.db2.gz GSZKEWPAGROTNU-IINYFYTJSA-N 1 0 341.433 1.960 20 5 EDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446899807 305271713 /nfs/dbraw/zinc/27/17/13/305271713.db2.gz KSNYPXXKRBKHQJ-LLVKDONJSA-N 1 0 346.391 1.707 20 5 EDBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448797473 305301957 /nfs/dbraw/zinc/30/19/57/305301957.db2.gz SXQGLRZGJSLLCR-ZDUSSCGKSA-N 1 0 341.371 1.747 20 5 EDBDRO [NH3+]C1CCC(OCC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000449075829 305305595 /nfs/dbraw/zinc/30/55/95/305305595.db2.gz WGCWWENDEGTVAL-UHFFFAOYSA-N 1 0 336.392 1.409 20 5 EDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000449099663 305306447 /nfs/dbraw/zinc/30/64/47/305306447.db2.gz OHVWRLRMBAZQRR-JSGCOSHPSA-N 1 0 341.433 1.539 20 5 EDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000449179530 305309049 /nfs/dbraw/zinc/30/90/49/305309049.db2.gz WCVSRPXQHTWJQF-CJNGLKHVSA-N 1 0 347.415 1.895 20 5 EDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 ZINC000449328950 305311726 /nfs/dbraw/zinc/31/17/26/305311726.db2.gz LXDMBYDLNGYWHS-BQUDOFGOSA-N 1 0 347.415 1.942 20 5 EDBDRO Cc1nc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)ncc1[N+](=O)[O-] ZINC000450384570 305329479 /nfs/dbraw/zinc/32/94/79/305329479.db2.gz BKQWILCYYNHLGB-UHFFFAOYSA-N 1 0 348.451 1.688 20 5 EDBDRO O=C(CC[N@H+]1CC[C@](O)(C(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000451424317 305345373 /nfs/dbraw/zinc/34/53/73/305345373.db2.gz GCEYHDJURLRHNT-CQSZACIVSA-N 1 0 329.303 1.625 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000451624287 305357046 /nfs/dbraw/zinc/35/70/46/305357046.db2.gz AKETZKGFZUYYFG-YGRLFVJLSA-N 1 0 338.795 1.823 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@]3(CCSC3)C2)c1 ZINC000451962451 305374414 /nfs/dbraw/zinc/37/44/14/305374414.db2.gz FWBGFSGVSDRISS-UONOGXRCSA-N 1 0 326.422 1.371 20 5 EDBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000457359306 305487058 /nfs/dbraw/zinc/48/70/58/305487058.db2.gz FVMVYMCCQRFYST-ZYHUDNBSSA-N 1 0 335.360 1.247 20 5 EDBDRO CO[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000516922604 305744148 /nfs/dbraw/zinc/74/41/48/305744148.db2.gz JQRXQBZMXDDAHH-CQSZACIVSA-N 1 0 328.390 1.383 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000415427248 447428132 /nfs/dbraw/zinc/42/81/32/447428132.db2.gz BQUTYDYVHAKCQI-NWDGAFQWSA-N 1 0 334.376 1.428 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000046035189 441070747 /nfs/dbraw/zinc/07/07/47/441070747.db2.gz JTPSMUDVCFREJI-GFCCVEGCSA-N 1 0 341.433 1.913 20 5 EDBDRO CC(C)[N@H+](C)CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000101953242 441163756 /nfs/dbraw/zinc/16/37/56/441163756.db2.gz AALAVPGCYQNHHI-UHFFFAOYSA-N 1 0 331.376 1.851 20 5 EDBDRO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000104748328 441203793 /nfs/dbraw/zinc/20/37/93/441203793.db2.gz SCEUYFFFDAJFLC-ZDUSSCGKSA-N 1 0 327.406 1.308 20 5 EDBDRO C[NH+](C)CCn1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cn1 ZINC000061635414 441282051 /nfs/dbraw/zinc/28/20/51/441282051.db2.gz DQPBWQFHYQSUCH-UHFFFAOYSA-N 1 0 346.391 1.794 20 5 EDBDRO C[NH+](C)CCn1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cn1 ZINC000061635953 441283163 /nfs/dbraw/zinc/28/31/63/441283163.db2.gz LQNNNMGZPTXYLW-UHFFFAOYSA-N 1 0 333.348 1.370 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000073842216 441359229 /nfs/dbraw/zinc/35/92/29/441359229.db2.gz FFWTXKZOVOLDQU-LBPRGKRZSA-N 1 0 339.417 1.666 20 5 EDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000107890749 441432634 /nfs/dbraw/zinc/43/26/34/441432634.db2.gz OPNVHKFFNWFBQW-NSHDSACASA-N 1 0 335.360 1.453 20 5 EDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000107893454 441433749 /nfs/dbraw/zinc/43/37/49/441433749.db2.gz XSLNMAJTUKWPEN-LBPRGKRZSA-N 1 0 337.376 1.440 20 5 EDBDRO COC(=O)c1cc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000108338921 441447681 /nfs/dbraw/zinc/44/76/81/441447681.db2.gz ILJBQLZXFYKTDH-NSHDSACASA-N 1 0 335.360 1.453 20 5 EDBDRO C[NH+](C)CCCOc1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000107193164 441402633 /nfs/dbraw/zinc/40/26/33/441402633.db2.gz SLKLJUQLLIWKOW-UHFFFAOYSA-N 1 0 347.375 1.761 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000088229544 441499494 /nfs/dbraw/zinc/49/94/94/441499494.db2.gz GYNXODVOQYZNRD-UHFFFAOYSA-N 1 0 349.391 1.673 20 5 EDBDRO O=C([C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1)N1CCOCC1 ZINC000065588282 441464768 /nfs/dbraw/zinc/46/47/68/441464768.db2.gz AJXXYQBWBFKWMW-MRXNPFEDSA-N 1 0 347.415 1.708 20 5 EDBDRO C[C@H]1C[N@@H+](C2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000066396316 441529198 /nfs/dbraw/zinc/52/91/98/441529198.db2.gz VWILIPXWGVILBB-AWEZNQCLSA-N 1 0 347.415 1.849 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000075752711 441554966 /nfs/dbraw/zinc/55/49/66/441554966.db2.gz ZSACUZRMHLWRBA-MRXNPFEDSA-N 1 0 337.424 1.103 20 5 EDBDRO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCN1CCCC1=O ZINC000112995473 441575891 /nfs/dbraw/zinc/57/58/91/441575891.db2.gz CIRNCZDVSOOSRM-UHFFFAOYSA-N 1 0 334.376 1.478 20 5 EDBDRO CC1CC[NH+](CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000054779630 441597434 /nfs/dbraw/zinc/59/74/34/441597434.db2.gz CJEVBHUTAHEDAC-UHFFFAOYSA-N 1 0 348.403 1.173 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000041361660 441646127 /nfs/dbraw/zinc/64/61/27/441646127.db2.gz NKVXICXOQRQNKI-UHFFFAOYSA-N 1 0 335.408 1.056 20 5 EDBDRO C[NH+]1CCC(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000114735650 441679914 /nfs/dbraw/zinc/67/99/14/441679914.db2.gz AUNMFVPGJBMJNN-UHFFFAOYSA-N 1 0 333.797 1.621 20 5 EDBDRO C[NH+](C)CCOc1ccc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])cc1 ZINC000136517195 441701727 /nfs/dbraw/zinc/70/17/27/441701727.db2.gz RKOAEBBRPYKITI-UHFFFAOYSA-N 1 0 333.348 1.188 20 5 EDBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@H](C)C1 ZINC000115521117 441752278 /nfs/dbraw/zinc/75/22/78/441752278.db2.gz CGHHFDAJOMXBQT-VXGBXAGGSA-N 1 0 338.412 1.516 20 5 EDBDRO Cc1csc(=O)n1CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173464430 441759393 /nfs/dbraw/zinc/75/93/93/441759393.db2.gz NKPLBTDMRXJHIT-LBPRGKRZSA-N 1 0 349.416 1.708 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000068340743 441777807 /nfs/dbraw/zinc/77/78/07/441777807.db2.gz UNPCWYXFDKZRFS-INIZCTEOSA-N 1 0 343.387 1.947 20 5 EDBDRO C[NH+](C)CC[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000116125414 441796236 /nfs/dbraw/zinc/79/62/36/441796236.db2.gz AHUHFZUZAUPYHP-CYBMUJFWSA-N 1 0 325.413 1.664 20 5 EDBDRO C[C@H](CC[NH+](C)C)NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000068473275 441806471 /nfs/dbraw/zinc/80/64/71/441806471.db2.gz IMRCGDYZXHRDEV-VXGBXAGGSA-N 1 0 336.392 1.170 20 5 EDBDRO Cc1nn(CCC(=O)N2CCC([NH2+]CC3CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000159879760 441844549 /nfs/dbraw/zinc/84/45/49/441844549.db2.gz CRYPDWDMVLAVPM-UHFFFAOYSA-N 1 0 349.435 1.789 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000141417504 441850944 /nfs/dbraw/zinc/85/09/44/441850944.db2.gz QHSWTYJIWYIBKB-GFCCVEGCSA-N 1 0 337.351 1.809 20 5 EDBDRO Cc1sc(S(=O)(=O)N[C@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000123876919 441902079 /nfs/dbraw/zinc/90/20/79/441902079.db2.gz STGIVXVEWSTNOU-NSHDSACASA-N 1 0 345.446 1.727 20 5 EDBDRO CCc1nn(C)c(N2CC[C@H](N3CC[NH+](CC)CC3)C2)c1[N+](=O)[O-] ZINC000094156623 441908706 /nfs/dbraw/zinc/90/87/06/441908706.db2.gz JTQMQLQCCNMADE-ZDUSSCGKSA-N 1 0 336.440 1.107 20 5 EDBDRO CCc1nn(C)c(NC[C@H](O)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000094157487 441908892 /nfs/dbraw/zinc/90/88/92/441908892.db2.gz UHTKXXZIKBUYIA-LBPRGKRZSA-N 1 0 325.413 1.395 20 5 EDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000149546593 441924716 /nfs/dbraw/zinc/92/47/16/441924716.db2.gz HJSRZOGWXMQITJ-OKILXGFUSA-N 1 0 337.424 1.666 20 5 EDBDRO CCC([NH3+])(CC)CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000160518214 441891134 /nfs/dbraw/zinc/89/11/34/441891134.db2.gz PLYWJUGAGXPGLW-UHFFFAOYSA-N 1 0 332.364 1.423 20 5 EDBDRO C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C[NH+]1CCN(C)CC1 ZINC000174164857 441896965 /nfs/dbraw/zinc/89/69/65/441896965.db2.gz FWYPQCFAKDYRCK-AWEZNQCLSA-N 1 0 349.435 1.278 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[NH2+]C(C)C ZINC000123717453 441897612 /nfs/dbraw/zinc/89/76/12/441897612.db2.gz COIASBLKOZPXNN-UHFFFAOYSA-N 1 0 329.422 1.824 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000125106193 441984842 /nfs/dbraw/zinc/98/48/42/441984842.db2.gz UKQGAEQQJYQULS-ZJUUUORDSA-N 1 0 329.378 1.152 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCC(OC)CC1 ZINC000079670597 442074851 /nfs/dbraw/zinc/07/48/51/442074851.db2.gz WDSYYJVIEKCVFJ-UHFFFAOYSA-N 1 0 337.376 1.444 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126672552 442132931 /nfs/dbraw/zinc/13/29/31/442132931.db2.gz KGXUXNLVIFSFHY-OCCSQVGLSA-N 1 0 333.392 1.267 20 5 EDBDRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000176212441 442192280 /nfs/dbraw/zinc/19/22/80/442192280.db2.gz PXMYXNIUDQKIDA-UHFFFAOYSA-N 1 0 336.392 1.690 20 5 EDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000164250051 442193021 /nfs/dbraw/zinc/19/30/21/442193021.db2.gz IAFLWMOLBWOIFD-JSGCOSHPSA-N 1 0 335.408 1.469 20 5 EDBDRO Cc1cc(C(=O)NCCN2CCC([NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000177145395 442304752 /nfs/dbraw/zinc/30/47/52/442304752.db2.gz UYYWDCWQSQTXOX-UHFFFAOYSA-N 1 0 334.420 1.659 20 5 EDBDRO CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CC[NH+](C)CC1 ZINC000171534943 442355564 /nfs/dbraw/zinc/35/55/64/442355564.db2.gz PVXLLASLRMJDNZ-UHFFFAOYSA-N 1 0 343.387 1.947 20 5 EDBDRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000130892326 442358901 /nfs/dbraw/zinc/35/89/01/442358901.db2.gz AINDDDDZERAJLI-KBPBESRZSA-N 1 0 334.376 1.557 20 5 EDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NCC[C@H]2CCC[NH2+]C2)c1 ZINC000130947548 442360472 /nfs/dbraw/zinc/36/04/72/442360472.db2.gz UNXAQGJHVBDANF-GFCCVEGCSA-N 1 0 327.406 1.404 20 5 EDBDRO O=C(NCC[NH+]1CCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000172205727 442423866 /nfs/dbraw/zinc/42/38/66/442423866.db2.gz AGZWZPPRJZAZNS-UHFFFAOYSA-N 1 0 330.344 1.262 20 5 EDBDRO C[NH+](C)CC(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172237779 442428125 /nfs/dbraw/zinc/42/81/25/442428125.db2.gz VRFSDQQTTDZQGJ-UHFFFAOYSA-N 1 0 340.811 1.454 20 5 EDBDRO Cc1c(C(=O)NCC[C@H]2CC[NH2+]C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000178953202 442536837 /nfs/dbraw/zinc/53/68/37/442536837.db2.gz CBNKIFSMZKIVQA-GFCCVEGCSA-N 1 0 344.375 1.213 20 5 EDBDRO O=c1cc(C[N@H+]2C[C@@H](O)C[C@H]2CO)c2c(ccc3ccccc32)o1 ZINC000186495704 442546033 /nfs/dbraw/zinc/54/60/33/442546033.db2.gz YRKXDAWYZSSBTP-GJZGRUSLSA-N 1 0 325.364 1.874 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191861315 442527303 /nfs/dbraw/zinc/52/73/03/442527303.db2.gz LJUYAJGNJVNURF-ZDUSSCGKSA-N 1 0 341.433 1.974 20 5 EDBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000178942535 442532081 /nfs/dbraw/zinc/53/20/81/442532081.db2.gz NFTOPUGYWUMLDL-GFCCVEGCSA-N 1 0 327.406 1.442 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180206012 442558150 /nfs/dbraw/zinc/55/81/50/442558150.db2.gz ZWKVBENGKPWBQF-WMLDXEAASA-N 1 0 343.387 1.661 20 5 EDBDRO COc1cc(OCC(=O)N(C)CC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000186750881 442606238 /nfs/dbraw/zinc/60/62/38/442606238.db2.gz MQIRDCMWLUGBNN-UHFFFAOYSA-N 1 0 337.376 1.535 20 5 EDBDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000173264873 442635173 /nfs/dbraw/zinc/63/51/73/442635173.db2.gz ZNGUSMPBSWUJEF-NEPJUHHUSA-N 1 0 327.406 1.698 20 5 EDBDRO C[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C[NH+]1CCCC1 ZINC000180778780 442658393 /nfs/dbraw/zinc/65/83/93/442658393.db2.gz LIJDMQZVRAGONB-LLVKDONJSA-N 1 0 335.360 1.785 20 5 EDBDRO CCc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2ccco2)c1[N+](=O)[O-] ZINC000192711862 442679162 /nfs/dbraw/zinc/67/91/62/442679162.db2.gz PISXVZXWWPFJBK-UHFFFAOYSA-N 1 0 335.364 1.677 20 5 EDBDRO Cc1c(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)cccc1[N+](=O)[O-] ZINC000188245082 442728338 /nfs/dbraw/zinc/72/83/38/442728338.db2.gz SSYVEXOIVDELMZ-UHFFFAOYSA-N 1 0 348.403 1.784 20 5 EDBDRO Cc1c(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000193493560 442747961 /nfs/dbraw/zinc/74/79/61/442747961.db2.gz GQBATLGTIHUCKH-IINYFYTJSA-N 1 0 344.375 1.354 20 5 EDBDRO C[N@H+](CCc1nccs1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182245762 442749615 /nfs/dbraw/zinc/74/96/15/442749615.db2.gz OEICIOJMBPVRBQ-GFCCVEGCSA-N 1 0 337.401 1.966 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000188461573 442752958 /nfs/dbraw/zinc/75/29/58/442752958.db2.gz MPGJAQPGFFLYSU-CYBMUJFWSA-N 1 0 336.392 1.144 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CO)C(C)(C)C ZINC000193114025 442714898 /nfs/dbraw/zinc/71/48/98/442714898.db2.gz LBRPBGGMBNDGPF-CQSZACIVSA-N 1 0 339.392 1.929 20 5 EDBDRO Cc1c(CC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000188721465 442796785 /nfs/dbraw/zinc/79/67/85/442796785.db2.gz CHBNVRKKUPTLDI-ZDUSSCGKSA-N 1 0 349.431 1.749 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000183003566 442863665 /nfs/dbraw/zinc/86/36/65/442863665.db2.gz MHRNAANHFVXWDE-LRDDRELGSA-N 1 0 346.387 1.640 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000268158806 442876391 /nfs/dbraw/zinc/87/63/91/442876391.db2.gz IVGRSCCPUNINFG-YGRLFVJLSA-N 1 0 346.387 1.441 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000183119498 442883069 /nfs/dbraw/zinc/88/30/69/442883069.db2.gz DZHRFXTWQMVDIA-UHFFFAOYSA-N 1 0 348.403 1.235 20 5 EDBDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000194430578 442895353 /nfs/dbraw/zinc/89/53/53/442895353.db2.gz VXOGYJNWTNIPMU-UHFFFAOYSA-N 1 0 347.824 1.963 20 5 EDBDRO COC(=O)[C@]1(C)CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000268340108 442954594 /nfs/dbraw/zinc/95/45/94/442954594.db2.gz KWCNKYGJBUXNKU-CZUORRHYSA-N 1 0 338.360 1.220 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000249562785 442988528 /nfs/dbraw/zinc/98/85/28/442988528.db2.gz MCSAWHRBXRKNGI-XHDPSFHLSA-N 1 0 337.376 1.635 20 5 EDBDRO CN(c1ncc([N+](=O)[O-])c(N)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268461161 442997037 /nfs/dbraw/zinc/99/70/37/442997037.db2.gz DXUHBENPFTZUEM-ZDUSSCGKSA-N 1 0 328.376 1.678 20 5 EDBDRO CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268552833 443031755 /nfs/dbraw/zinc/03/17/55/443031755.db2.gz MWCONSUSXFGMQJ-OAHLLOKOSA-N 1 0 343.387 1.524 20 5 EDBDRO O=C(NCC1CC[NH2+]CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000297296492 318759487 /nfs/dbraw/zinc/75/94/87/318759487.db2.gz VEDPZCVIAGZKIK-UHFFFAOYSA-N 1 0 332.404 1.924 20 5 EDBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000185136059 443144809 /nfs/dbraw/zinc/14/48/09/443144809.db2.gz VCCWHHPRAPXVOP-WQVCFCJDSA-N 1 0 332.404 1.983 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000237559121 443175976 /nfs/dbraw/zinc/17/59/76/443175976.db2.gz FFWICHACHNZLMV-MFKMUULPSA-N 1 0 327.406 1.651 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000262000954 443179571 /nfs/dbraw/zinc/17/95/71/443179571.db2.gz UDAMBABQFPPDFZ-ZDUSSCGKSA-N 1 0 337.376 1.330 20 5 EDBDRO C[C@H]([NH3+])CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269174105 443222152 /nfs/dbraw/zinc/22/21/52/443222152.db2.gz WWXRCUHPRLSUNI-LURJTMIESA-N 1 0 334.145 1.964 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000320218608 318938907 /nfs/dbraw/zinc/93/89/07/318938907.db2.gz VAIWRRGDXUUTEK-BXUZGUMPSA-N 1 0 327.406 1.509 20 5 EDBDRO [NH3+]C1(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000269205439 443232519 /nfs/dbraw/zinc/23/25/19/443232519.db2.gz KXKZHLJYTRQBDK-UHFFFAOYSA-N 1 0 332.282 1.633 20 5 EDBDRO C[NH2+][C@@H]1CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 ZINC000269140818 443210630 /nfs/dbraw/zinc/21/06/30/443210630.db2.gz VWORRPVHYGZTBY-LLVKDONJSA-N 1 0 348.359 1.103 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000264413096 443282786 /nfs/dbraw/zinc/28/27/86/443282786.db2.gz IFVPSLCHHNNUMX-HSBSLETESA-N 1 0 332.404 1.360 20 5 EDBDRO Cc1cc(S(=O)(=O)NC(C)(C)C[NH+](C)C)c(C)cc1[N+](=O)[O-] ZINC000416512319 319436954 /nfs/dbraw/zinc/43/69/54/319436954.db2.gz PTKIWSJLKMXGHU-UHFFFAOYSA-N 1 0 329.422 1.830 20 5 EDBDRO CC(C)[NH+]1CCC(N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000269370427 443295869 /nfs/dbraw/zinc/29/58/69/443295869.db2.gz YNLWOMARBHWUPV-UHFFFAOYSA-N 1 0 333.436 1.985 20 5 EDBDRO C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282503569 443358320 /nfs/dbraw/zinc/35/83/20/443358320.db2.gz RDDWDHFELCKVPJ-BBRMVZONSA-N 1 0 335.404 1.753 20 5 EDBDRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000278716495 443411662 /nfs/dbraw/zinc/41/16/62/443411662.db2.gz PBNSRHGJCMEYHM-RHSMWYFYSA-N 1 0 338.404 1.749 20 5 EDBDRO C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000264751920 443406605 /nfs/dbraw/zinc/40/66/05/443406605.db2.gz RIERIZADHFBWIX-WFASDCNBSA-N 1 0 335.408 1.201 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000272888651 443480748 /nfs/dbraw/zinc/48/07/48/443480748.db2.gz YBDXQFJIEAQXHS-GFCCVEGCSA-N 1 0 338.364 1.446 20 5 EDBDRO COc1cc(C(=O)NCCCC[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000264870888 443461499 /nfs/dbraw/zinc/46/14/99/443461499.db2.gz GOGQWZWFVNDEAH-UHFFFAOYSA-N 1 0 325.365 1.684 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC2(CC1)OCCO2 ZINC000272975339 443507923 /nfs/dbraw/zinc/50/79/23/443507923.db2.gz CGCOHQGQEUQDCS-CYBMUJFWSA-N 1 0 338.360 1.173 20 5 EDBDRO C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000272058373 443524163 /nfs/dbraw/zinc/52/41/63/443524163.db2.gz BQMFRBSNOIZLFJ-QWHCGFSZSA-N 1 0 348.403 1.182 20 5 EDBDRO COC(=O)[C@H](C)C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273039344 443525765 /nfs/dbraw/zinc/52/57/65/443525765.db2.gz OPYOSVOBYHDQOA-VXGBXAGGSA-N 1 0 326.349 1.075 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc([N+](=O)[O-])c1 ZINC000423610669 319792859 /nfs/dbraw/zinc/79/28/59/319792859.db2.gz MXGKGDWSSZBYEM-HZMBPMFUSA-N 1 0 335.360 1.642 20 5 EDBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000279199041 443533432 /nfs/dbraw/zinc/53/34/32/443533432.db2.gz LIYOTJTVDCPTBX-LBPRGKRZSA-N 1 0 348.403 1.502 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279024655 443494371 /nfs/dbraw/zinc/49/43/71/443494371.db2.gz PAANLSONNZNRRW-LLVKDONJSA-N 1 0 329.360 1.667 20 5 EDBDRO COC(=O)CC[C@@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423845509 319821571 /nfs/dbraw/zinc/82/15/71/319821571.db2.gz NEBIZQQAGYGLQB-LLVKDONJSA-N 1 0 329.740 1.145 20 5 EDBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)nc1 ZINC000273571412 443580615 /nfs/dbraw/zinc/58/06/15/443580615.db2.gz DIEZKPOEAKSJFJ-GDBMZVCRSA-N 1 0 343.387 1.680 20 5 EDBDRO CS[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@H]1[NH+](C)C ZINC000286121056 443650245 /nfs/dbraw/zinc/65/02/45/443650245.db2.gz FGUAIFPZZDPIOC-OLZOCXBDSA-N 1 0 349.416 1.725 20 5 EDBDRO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435244091 320013475 /nfs/dbraw/zinc/01/34/75/320013475.db2.gz ZCVQBUQTYLUCNX-CQSZACIVSA-N 1 0 342.359 1.142 20 5 EDBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000440075549 320061522 /nfs/dbraw/zinc/06/15/22/320061522.db2.gz HNTBWMPEWWFMLV-ZDUSSCGKSA-N 1 0 343.449 1.787 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000440355264 320073692 /nfs/dbraw/zinc/07/36/92/320073692.db2.gz MAIGUFZZQSAFHT-UHFFFAOYSA-N 1 0 327.406 1.517 20 5 EDBDRO C[C@@H](C[NH3+])CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000441619279 320099679 /nfs/dbraw/zinc/09/96/79/320099679.db2.gz ZTFKJGIRJDRMSJ-QMMMGPOBSA-N 1 0 330.182 1.611 20 5 EDBDRO Cc1nn(CCC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C)c1[N+](=O)[O-] ZINC000449199228 320178221 /nfs/dbraw/zinc/17/82/21/320178221.db2.gz FLDCHYQRDVHZRY-HUUCEWRRSA-N 1 0 349.435 1.646 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C[C@H]1[NH+](C)C ZINC000449984629 320207474 /nfs/dbraw/zinc/20/74/74/320207474.db2.gz JBIJILFTYCHHGO-MLGOLLRUSA-N 1 0 343.387 1.803 20 5 EDBDRO O=C(C[N@H+]1CC[C@H](CCCO)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000452123094 320242927 /nfs/dbraw/zinc/24/29/27/320242927.db2.gz HZACVCULXGQWBN-ZDUSSCGKSA-N 1 0 333.388 1.578 20 5 EDBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1ccc(F)cc1[N+](=O)[O-] ZINC000452390816 320248751 /nfs/dbraw/zinc/24/87/51/320248751.db2.gz OYSAHGHSYWWUDD-GFCCVEGCSA-N 1 0 325.340 1.311 20 5 EDBDRO C[C@H](C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000459813185 320350005 /nfs/dbraw/zinc/35/00/05/320350005.db2.gz SDKTWMLEGWAPTK-DGCLKSJQSA-N 1 0 342.396 1.062 20 5 EDBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491559416 320371923 /nfs/dbraw/zinc/37/19/23/320371923.db2.gz AGLJRGZRLYLFDY-WHLNPGIBSA-N 1 0 346.387 1.064 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491561066 320372075 /nfs/dbraw/zinc/37/20/75/320372075.db2.gz IFVPSLCHHNNUMX-WBTMPAOCSA-N 1 0 332.404 1.360 20 5 EDBDRO COCCOCCOCC[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000276326959 443688535 /nfs/dbraw/zinc/68/85/35/443688535.db2.gz ZZJBJFVKVDDZFT-UHFFFAOYSA-N 1 0 342.392 1.585 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000298327394 443747574 /nfs/dbraw/zinc/74/75/74/443747574.db2.gz VDOCQVXRWDFIAD-CYBMUJFWSA-N 1 0 341.371 1.775 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000298602872 443813741 /nfs/dbraw/zinc/81/37/41/443813741.db2.gz LLOODCQRCCAJSL-UHFFFAOYSA-N 1 0 348.403 1.784 20 5 EDBDRO NS(=O)(=O)c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000298718363 443848329 /nfs/dbraw/zinc/84/83/29/443848329.db2.gz NFKAGRWHKMXCNV-STQMWFEESA-N 1 0 340.405 1.281 20 5 EDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000288483238 443894175 /nfs/dbraw/zinc/89/41/75/443894175.db2.gz LJBGHWANERRPII-PPYMECGQSA-N 1 0 333.388 1.571 20 5 EDBDRO CNC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000281245542 443858152 /nfs/dbraw/zinc/85/81/52/443858152.db2.gz UTQAWNZIWKVACG-MEDUHNTESA-N 1 0 334.376 1.380 20 5 EDBDRO CCOc1cc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000281516603 443933026 /nfs/dbraw/zinc/93/30/26/443933026.db2.gz ZCMHFJJUSURQAW-OLZOCXBDSA-N 1 0 335.360 1.924 20 5 EDBDRO COC(=O)Cn1cc(CC[N@H+](C)CCc2ccccc2[N+](=O)[O-])nn1 ZINC000285420130 443977746 /nfs/dbraw/zinc/97/77/46/443977746.db2.gz VQFAPUNAMFELRR-UHFFFAOYSA-N 1 0 347.375 1.076 20 5 EDBDRO COCC[N@@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299212141 443983902 /nfs/dbraw/zinc/98/39/02/443983902.db2.gz HQERIYMGMWVNIG-UHFFFAOYSA-N 1 0 337.376 1.154 20 5 EDBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000299412877 444039865 /nfs/dbraw/zinc/03/98/65/444039865.db2.gz RRGOKZXMGLJNHW-HNNXBMFYSA-N 1 0 346.387 1.021 20 5 EDBDRO COc1cc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000285674467 444067778 /nfs/dbraw/zinc/06/77/78/444067778.db2.gz HIAHPFDURSSLOB-KGLIPLIRSA-N 1 0 335.360 1.149 20 5 EDBDRO CN(Cc1nccc(N)n1)[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000282056125 444073886 /nfs/dbraw/zinc/07/38/86/444073886.db2.gz YDBXCAFRZBWYGB-VIFPVBQESA-N 1 0 335.393 1.134 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)c1 ZINC000564864704 321152862 /nfs/dbraw/zinc/15/28/62/321152862.db2.gz SJJOTXKTEKDJDX-CABCVRRESA-N 1 0 338.408 1.624 20 5 EDBDRO CS[C@H](CO)[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567877545 321264629 /nfs/dbraw/zinc/26/46/29/321264629.db2.gz PXCBBLQHGNAVGE-COPLHBTASA-N 1 0 330.406 1.037 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000570690504 321353592 /nfs/dbraw/zinc/35/35/92/321353592.db2.gz INUSXKJCTIYJAW-UHFFFAOYSA-N 1 0 348.403 1.738 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000301280227 444161046 /nfs/dbraw/zinc/16/10/46/444161046.db2.gz NUGNTTWBWXUFPG-GFCCVEGCSA-N 1 0 348.403 1.607 20 5 EDBDRO C[C@H]1NC(=O)CC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000282255832 444128048 /nfs/dbraw/zinc/12/80/48/444128048.db2.gz GVWUXPKITWSXSW-PSASIEDQSA-N 1 0 340.767 1.443 20 5 EDBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000301807612 444191549 /nfs/dbraw/zinc/19/15/49/444191549.db2.gz FTRBXURBMWPJOU-AWEZNQCLSA-N 1 0 336.367 1.652 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000301956553 444197917 /nfs/dbraw/zinc/19/79/17/444197917.db2.gz KZDHJIXYSDNWNO-OAHLLOKOSA-N 1 0 332.404 1.822 20 5 EDBDRO Cc1nc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000301964296 444198753 /nfs/dbraw/zinc/19/87/53/444198753.db2.gz NRFWSXAWXFFVAF-AWEZNQCLSA-N 1 0 333.392 1.217 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(N3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)nn21 ZINC000302005755 444200140 /nfs/dbraw/zinc/20/01/40/444200140.db2.gz SYXCAFDVKQMCRP-XQQFMLRXSA-N 1 0 328.376 1.558 20 5 EDBDRO C[NH+](C)[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000290534875 444292550 /nfs/dbraw/zinc/29/25/50/444292550.db2.gz OMWXXABGHISZTG-ZDUSSCGKSA-N 1 0 347.350 1.943 20 5 EDBDRO CN(CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000324599073 444357218 /nfs/dbraw/zinc/35/72/18/444357218.db2.gz GWCYDKYIBKPNPS-MRXNPFEDSA-N 1 0 333.392 1.268 20 5 EDBDRO COc1cccc2c1CC[C@H]2[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000578521993 321788967 /nfs/dbraw/zinc/78/89/67/321788967.db2.gz VXFNEMPQUPCULY-SWLSCSKDSA-N 1 0 332.360 1.438 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000298067083 444404004 /nfs/dbraw/zinc/40/40/04/444404004.db2.gz JGBHWLUZYHSCTO-ZDUSSCGKSA-N 1 0 348.403 1.751 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC(CC[NH3+])CC2)c(C)cc1[N+](=O)[O-] ZINC000580097648 322010765 /nfs/dbraw/zinc/01/07/65/322010765.db2.gz UUYHEQISPMYOBJ-UHFFFAOYSA-N 1 0 341.433 1.961 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000332093964 444500698 /nfs/dbraw/zinc/50/06/98/444500698.db2.gz BFHDXCFWRPVPTN-KFWWJZLASA-N 1 0 346.387 1.204 20 5 EDBDRO COC(=O)c1cc(C)nc(N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000342198603 444559706 /nfs/dbraw/zinc/55/97/06/444559706.db2.gz HHDUNUFUVXSSCI-LBPRGKRZSA-N 1 0 334.376 1.758 20 5 EDBDRO COCC[N@@H+]1CC[C@H](Nc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000342216262 444570020 /nfs/dbraw/zinc/57/00/20/444570020.db2.gz CWGKGCBZJGLUKM-LBPRGKRZSA-N 1 0 337.376 1.822 20 5 EDBDRO O=C1CCCN1[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000343728080 444549650 /nfs/dbraw/zinc/54/96/50/444549650.db2.gz JIWCRUWVKXGNMW-KBPBESRZSA-N 1 0 349.387 1.031 20 5 EDBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000341057270 444656840 /nfs/dbraw/zinc/65/68/40/444656840.db2.gz KCVUGFYQVAQZQC-BETUJISGSA-N 1 0 337.424 1.906 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000342384615 444668107 /nfs/dbraw/zinc/66/81/07/444668107.db2.gz VGWURVPJUSNRRQ-GJZGRUSLSA-N 1 0 346.387 1.868 20 5 EDBDRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000343994784 444716268 /nfs/dbraw/zinc/71/62/68/444716268.db2.gz XDCKXVFLEXAJAS-ZBFHGGJFSA-N 1 0 344.371 1.807 20 5 EDBDRO CO[C@H]1C[C@H](C(N)=O)N(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000344006723 444723781 /nfs/dbraw/zinc/72/37/81/444723781.db2.gz NLXFIPVJISYOEL-SWLSCSKDSA-N 1 0 345.355 1.929 20 5 EDBDRO COC[C@H]1C[C@@H](OC)CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000344370117 444924306 /nfs/dbraw/zinc/92/43/06/444924306.db2.gz OWEVRZNHBWMVPJ-ZIAGYGMSSA-N 1 0 348.359 1.881 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1Cn1ccnn1 ZINC000344402396 444942965 /nfs/dbraw/zinc/94/29/65/444942965.db2.gz XYXWPNLBJVKMDW-KGLIPLIRSA-N 1 0 347.375 1.091 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1Cn1ccnn1 ZINC000344402400 444942680 /nfs/dbraw/zinc/94/26/80/444942680.db2.gz XYXWPNLBJVKMDW-ZIAGYGMSSA-N 1 0 347.375 1.091 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000337284148 445015108 /nfs/dbraw/zinc/01/51/08/445015108.db2.gz JIIVPAKGINUCQG-KLHDSHLOSA-N 1 0 338.408 1.168 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1C[C@@H](OC)C[N@H+]1C ZINC000344543357 445047775 /nfs/dbraw/zinc/04/77/75/445047775.db2.gz VXWDFMMPFIXJJZ-QWHCGFSZSA-N 1 0 337.376 1.395 20 5 EDBDRO COc1ccc(NC(=O)CN2C[C@H](C)[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000330600923 445054951 /nfs/dbraw/zinc/05/49/51/445054951.db2.gz VMIADCSPWRSWTH-RYUDHWBXSA-N 1 0 336.392 1.566 20 5 EDBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000330761851 445131022 /nfs/dbraw/zinc/13/10/22/445131022.db2.gz NRLNHIYCRFCMKZ-UHFFFAOYSA-N 1 0 341.433 1.995 20 5 EDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000337605526 445162896 /nfs/dbraw/zinc/16/28/96/445162896.db2.gz PPSFWSLCXHKOSZ-CVEARBPZSA-N 1 0 347.419 1.933 20 5 EDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000337605528 445163271 /nfs/dbraw/zinc/16/32/71/445163271.db2.gz PPSFWSLCXHKOSZ-HOTGVXAUSA-N 1 0 347.419 1.933 20 5 EDBDRO CNS(=O)(=O)c1ccc(N[C@@H]2CCC[N@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000343484011 445231452 /nfs/dbraw/zinc/23/14/52/445231452.db2.gz VOIDTEXXEDGNOU-CMPLNLGQSA-N 1 0 342.421 1.398 20 5 EDBDRO Cn1nccc1C[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000348370638 445269338 /nfs/dbraw/zinc/26/93/38/445269338.db2.gz WEGYCCCYCOFZKY-UHFFFAOYSA-N 1 0 345.359 1.758 20 5 EDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000348174304 445303721 /nfs/dbraw/zinc/30/37/21/445303721.db2.gz XIMCRZHMCBKUHI-KBPBESRZSA-N 1 0 348.403 1.736 20 5 EDBDRO CC[C@H]1CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000348379029 445271227 /nfs/dbraw/zinc/27/12/27/445271227.db2.gz CEHHBBGWBXRDFU-NWDGAFQWSA-N 1 0 327.406 1.651 20 5 EDBDRO NC(=O)C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000351729035 445296108 /nfs/dbraw/zinc/29/61/08/445296108.db2.gz BXMUHJINYFFBDY-CQSZACIVSA-N 1 0 343.330 1.633 20 5 EDBDRO O=C(C[N@@H+]1CCC[C@@H]2COCC[C@@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000362453822 445390111 /nfs/dbraw/zinc/39/01/11/445390111.db2.gz PORBEEGAVLPHPQ-ZBFHGGJFSA-N 1 0 345.399 1.985 20 5 EDBDRO C[N@H+](Cc1ccccc1)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)C1CC1 ZINC000359827689 445448633 /nfs/dbraw/zinc/44/86/33/445448633.db2.gz CQUOPLUKXDKHGQ-CQSZACIVSA-N 1 0 342.403 1.711 20 5 EDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000362604017 445459392 /nfs/dbraw/zinc/45/93/92/445459392.db2.gz XMDQCKMHRBGXFX-GFCCVEGCSA-N 1 0 349.387 1.461 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@H]1Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000362675429 445493898 /nfs/dbraw/zinc/49/38/98/445493898.db2.gz SAZZVYGBGZLTBR-BDAKNGLRSA-N 1 0 333.435 1.954 20 5 EDBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356142474 445644307 /nfs/dbraw/zinc/64/43/07/445644307.db2.gz BBOIJGZGTZCOFI-STQMWFEESA-N 1 0 337.424 1.816 20 5 EDBDRO CN(c1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000363098681 445676907 /nfs/dbraw/zinc/67/69/07/445676907.db2.gz YNSMVDJUYNVTLO-HZPDHXFCSA-N 1 0 332.404 1.821 20 5 EDBDRO O=C(CNCc1ccccc1[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC000353671091 445701268 /nfs/dbraw/zinc/70/12/68/445701268.db2.gz JMTRCATZLBZOJA-UHFFFAOYSA-N 1 0 334.420 1.677 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]C[C@](C)(O)C(C)C)cc1[N+](=O)[O-] ZINC000353735161 445731002 /nfs/dbraw/zinc/73/10/02/445731002.db2.gz HLAMQNPUGDBNKR-INIZCTEOSA-N 1 0 340.376 1.643 20 5 EDBDRO CC[C@](C)(CO)[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000353754934 445740137 /nfs/dbraw/zinc/74/01/37/445740137.db2.gz BHYKGDUFJFRBHJ-OAHLLOKOSA-N 1 0 326.349 1.397 20 5 EDBDRO NC(=O)c1ccc(C[NH+]2CCC(c3nnc[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000363318891 445764864 /nfs/dbraw/zinc/76/48/64/445764864.db2.gz XJCLKEYGYJCRNH-UHFFFAOYSA-N 1 0 330.348 1.191 20 5 EDBDRO CCc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)[NH+](C)C)cc1 ZINC000356498292 445823434 /nfs/dbraw/zinc/82/34/34/445823434.db2.gz QAPJEZXLKOUTGC-HNNXBMFYSA-N 1 0 345.403 1.923 20 5 EDBDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000358790372 445776255 /nfs/dbraw/zinc/77/62/55/445776255.db2.gz JMBPVOWXZUPXRR-UHOFOFEASA-N 1 0 331.376 1.630 20 5 EDBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])nn2C)c1 ZINC000356459556 445802809 /nfs/dbraw/zinc/80/28/09/445802809.db2.gz BRQADEZQLHSNSZ-UHFFFAOYSA-N 1 0 331.376 1.710 20 5 EDBDRO COc1ccc(OCC[N@H+](CCO)[C@H]2CCO[C@H]2C)c([N+](=O)[O-])c1 ZINC000361587837 445834770 /nfs/dbraw/zinc/83/47/70/445834770.db2.gz XBRDODWIUQRPLV-JSGCOSHPSA-N 1 0 340.376 1.454 20 5 EDBDRO COc1cc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000392086370 325737886 /nfs/dbraw/zinc/73/78/86/325737886.db2.gz HPAHOYZALXPVGI-CMPLNLGQSA-N 1 0 337.376 1.954 20 5 EDBDRO Cc1c(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000372889782 445906396 /nfs/dbraw/zinc/90/63/96/445906396.db2.gz IKYUXRCUMMURPO-GWCFXTLKSA-N 1 0 334.332 1.635 20 5 EDBDRO CCC[C@H]1C[NH2+]CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000359046974 445909486 /nfs/dbraw/zinc/90/94/86/445909486.db2.gz YZKLBIREOKABJD-HNNXBMFYSA-N 1 0 332.404 1.558 20 5 EDBDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000369269732 446033454 /nfs/dbraw/zinc/03/34/54/446033454.db2.gz XJQNKVHGAIHISC-CYBMUJFWSA-N 1 0 332.404 1.493 20 5 EDBDRO CN(C(=O)CN1CC[C@H]2CC[N@H+](C)C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000373143815 446055697 /nfs/dbraw/zinc/05/56/97/446055697.db2.gz YDXIODFGMSFKOR-CJNGLKHVSA-N 1 0 332.404 1.584 20 5 EDBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583867135 326155429 /nfs/dbraw/zinc/15/54/29/326155429.db2.gz SXLOMENTFOCCPY-IUODEOHRSA-N 1 0 342.417 1.773 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCNS(=O)(=O)NC(C)C ZINC000584030083 326185590 /nfs/dbraw/zinc/18/55/90/326185590.db2.gz HBJHKEXOGNWICB-GFCCVEGCSA-N 1 0 344.437 1.386 20 5 EDBDRO CN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1(C[NH3+])CCC1 ZINC000584107762 326200792 /nfs/dbraw/zinc/20/07/92/326200792.db2.gz KFWLBLOOCBQFJW-UHFFFAOYSA-N 1 0 330.348 1.129 20 5 EDBDRO Cc1nc(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c(C)o1 ZINC000584286913 326235684 /nfs/dbraw/zinc/23/56/84/326235684.db2.gz NOPGLRKHFRWSLM-CYBMUJFWSA-N 1 0 335.360 1.772 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]12 ZINC000351475845 446077688 /nfs/dbraw/zinc/07/76/88/446077688.db2.gz JPQWWRCPWIBKPA-ADEWGFFLSA-N 1 0 338.795 1.856 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000354314318 446105795 /nfs/dbraw/zinc/10/57/95/446105795.db2.gz AGNOMDHXOWKUEI-CYBMUJFWSA-N 1 0 348.403 1.696 20 5 EDBDRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351521330 446122991 /nfs/dbraw/zinc/12/29/91/446122991.db2.gz ZXGFITNSRIVIJV-VIFPVBQESA-N 1 0 326.328 1.129 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365295218 446131171 /nfs/dbraw/zinc/13/11/71/446131171.db2.gz KXFFDSKVPAYYPX-TZMCWYRMSA-N 1 0 339.417 1.584 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000366357394 446171724 /nfs/dbraw/zinc/17/17/24/446171724.db2.gz QOARBCBEHFVNRY-QWHCGFSZSA-N 1 0 339.417 1.584 20 5 EDBDRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351579108 446176965 /nfs/dbraw/zinc/17/69/65/446176965.db2.gz FYCVIXWQEFKXFB-JTQLQIEISA-N 1 0 338.339 1.083 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000376189068 446373249 /nfs/dbraw/zinc/37/32/49/446373249.db2.gz RWPGKHQLVWTWLL-STQMWFEESA-N 1 0 349.387 1.965 20 5 EDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417950569 446396775 /nfs/dbraw/zinc/39/67/75/446396775.db2.gz WIYCHJGIINNVKY-KRWDZBQOSA-N 1 0 332.404 1.922 20 5 EDBDRO CCOC(=O)c1cc(NC[C@]2(COC)CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000420255475 446435509 /nfs/dbraw/zinc/43/55/09/446435509.db2.gz SSKODRNZAUQYPC-INIZCTEOSA-N 1 0 337.376 1.952 20 5 EDBDRO CCN(CC)S(=O)(=O)c1ccc(N(C)C2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420257362 446436198 /nfs/dbraw/zinc/43/61/98/446436198.db2.gz KFNMDUXQXCZDEO-UHFFFAOYSA-N 1 0 342.421 1.033 20 5 EDBDRO CNC(=O)c1ccc(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420263623 446438969 /nfs/dbraw/zinc/43/89/69/446438969.db2.gz CFIUOMCGRXYCST-KBPBESRZSA-N 1 0 332.404 1.780 20 5 EDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000374831182 446410792 /nfs/dbraw/zinc/41/07/92/446410792.db2.gz XBEIJFLIFTZUFJ-JVLSTEMRSA-N 1 0 348.378 1.872 20 5 EDBDRO COc1ccc(NC(=O)CCN(C2CC2)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420309806 446473135 /nfs/dbraw/zinc/47/31/35/446473135.db2.gz FHVXSFRRXKSSLO-CYBMUJFWSA-N 1 0 348.403 1.758 20 5 EDBDRO O=C(CN1CCC[C@H]2C[NH2+]C[C@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420338999 446509599 /nfs/dbraw/zinc/50/95/99/446509599.db2.gz LIQVTPRROSGCCE-IINYFYTJSA-N 1 0 338.795 1.871 20 5 EDBDRO O=C(NCC[C@H]1CCC[NH2+]C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418354784 446511667 /nfs/dbraw/zinc/51/16/67/446511667.db2.gz WFJGYVOAFCULAW-CYBMUJFWSA-N 1 0 348.403 1.757 20 5 EDBDRO Cc1nc(CN(C)[C@@H]2CCN(c3cc(N)ccc3[N+](=O)[O-])C2)no1 ZINC000367163310 446516547 /nfs/dbraw/zinc/51/65/47/446516547.db2.gz BTGLEEPCZRCGHA-GFCCVEGCSA-N 1 0 332.364 1.579 20 5 EDBDRO O=C(CC[N@H+]1CC[C@](O)(C2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000376469070 446515442 /nfs/dbraw/zinc/51/54/42/446515442.db2.gz OGCORTFAWWJTPT-MRXNPFEDSA-N 1 0 337.351 1.909 20 5 EDBDRO CC1(C)CCC[NH2+][C@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000423411739 446523147 /nfs/dbraw/zinc/52/31/47/446523147.db2.gz GFZMXERCTLWOIE-WFASDCNBSA-N 1 0 347.419 1.781 20 5 EDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000375025532 446523712 /nfs/dbraw/zinc/52/37/12/446523712.db2.gz ZNIPJQRWHXLTAX-IOASZLSFSA-N 1 0 332.404 1.948 20 5 EDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420360620 446541755 /nfs/dbraw/zinc/54/17/55/446541755.db2.gz GMCJMUBJIWMEFA-SUMWQHHRSA-N 1 0 332.404 1.997 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCO[C@H](C[NH3+])C1 ZINC000420396903 446569892 /nfs/dbraw/zinc/56/98/92/446569892.db2.gz WSIWSDPHUJAOON-CQSZACIVSA-N 1 0 336.392 1.281 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCCNc2cc[nH+]cc2)c1F ZINC000411530483 446586743 /nfs/dbraw/zinc/58/67/43/446586743.db2.gz JUHGJSDAWXPELF-UHFFFAOYSA-N 1 0 348.334 1.330 20 5 EDBDRO C[C@@H](CCCC[NH3+])NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420416345 446588803 /nfs/dbraw/zinc/58/88/03/446588803.db2.gz CEFGFGVWPWIUCU-LBPRGKRZSA-N 1 0 329.422 1.574 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000367831324 446596548 /nfs/dbraw/zinc/59/65/48/446596548.db2.gz HMXDQOXPOPSZEU-LLVKDONJSA-N 1 0 329.353 1.154 20 5 EDBDRO CC(C)C[C@H](C[NH3+])NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420442829 446619519 /nfs/dbraw/zinc/61/95/19/446619519.db2.gz FDNKAHRLBBFUDH-CYBMUJFWSA-N 1 0 329.422 1.430 20 5 EDBDRO C[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000420428968 446604392 /nfs/dbraw/zinc/60/43/92/446604392.db2.gz ZAKQNFOGKYDFNB-VHSXEESVSA-N 1 0 347.824 1.996 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420430254 446605087 /nfs/dbraw/zinc/60/50/87/446605087.db2.gz CHXWYIMIIWECID-DGCLKSJQSA-N 1 0 327.406 1.055 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420470050 446645764 /nfs/dbraw/zinc/64/57/64/446645764.db2.gz QBKYNKZZSIIYOZ-RYUDHWBXSA-N 1 0 327.406 1.699 20 5 EDBDRO CC(C)OC[C@@H](CO)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411632814 446629836 /nfs/dbraw/zinc/62/98/36/446629836.db2.gz HKNAPJYHNFDDGM-CYBMUJFWSA-N 1 0 339.392 1.641 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000423663955 446630309 /nfs/dbraw/zinc/63/03/09/446630309.db2.gz DVWBPHOQAJYRTL-IINYFYTJSA-N 1 0 335.360 1.581 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000420454370 446630843 /nfs/dbraw/zinc/63/08/43/446630843.db2.gz YCPWEFKDJDPYFG-NSHDSACASA-N 1 0 343.405 1.414 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000375187911 446631817 /nfs/dbraw/zinc/63/18/17/446631817.db2.gz QCFGQMKEDZXFHG-SWLSCSKDSA-N 1 0 339.417 1.451 20 5 EDBDRO Cn1ncc2c1CCC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000411847764 446695801 /nfs/dbraw/zinc/69/58/01/446695801.db2.gz MTIIKCMIJJDVHY-HNNXBMFYSA-N 1 0 346.387 1.516 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000371229470 446703633 /nfs/dbraw/zinc/70/36/33/446703633.db2.gz JEWNUXZDCKNGMX-CQSZACIVSA-N 1 0 332.404 1.997 20 5 EDBDRO COc1cc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)c([N+](=O)[O-])cc1OC ZINC000368230261 446724322 /nfs/dbraw/zinc/72/43/22/446724322.db2.gz WEUGTCSOVAFTQP-LLVKDONJSA-N 1 0 332.360 1.982 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000420730460 446776871 /nfs/dbraw/zinc/77/68/71/446776871.db2.gz DGABMJUPXVYMJZ-CYBMUJFWSA-N 1 0 341.433 1.926 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423969288 446801008 /nfs/dbraw/zinc/80/10/08/446801008.db2.gz IXQVGZYJIHPJOZ-DLBZAZTESA-N 1 0 341.367 1.845 20 5 EDBDRO O=C(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000375429313 446792737 /nfs/dbraw/zinc/79/27/37/446792737.db2.gz QIKCBNMHOUDASD-RHSMWYFYSA-N 1 0 331.372 1.641 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCCO1 ZINC000424015595 446823990 /nfs/dbraw/zinc/82/39/90/446823990.db2.gz CLEKFGOENNJOKP-GFCCVEGCSA-N 1 0 335.385 1.999 20 5 EDBDRO CN(C(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000412046594 446807999 /nfs/dbraw/zinc/80/79/99/446807999.db2.gz NUYBQEKLDZKNID-XEZPLFJOSA-N 1 0 333.388 1.650 20 5 EDBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000418994833 446852555 /nfs/dbraw/zinc/85/25/55/446852555.db2.gz INVBTBOBRJLEDR-QWRGUYRKSA-N 1 0 347.375 1.135 20 5 EDBDRO CN1C[C@@H]2[C@@H](CCC[N@@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000375517843 446866246 /nfs/dbraw/zinc/86/62/46/446866246.db2.gz BAEKAIAJEPQTNQ-IUODEOHRSA-N 1 0 346.387 1.476 20 5 EDBDRO C[C@@H](F)CC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420968918 446939026 /nfs/dbraw/zinc/93/90/26/446939026.db2.gz ATBFBBYJMAIYIJ-LLVKDONJSA-N 1 0 333.385 1.553 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000419162488 446980316 /nfs/dbraw/zinc/98/03/16/446980316.db2.gz KHHNQFZJKVWMEO-ZOWXZIJZSA-N 1 0 348.403 1.371 20 5 EDBDRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000372045217 446985342 /nfs/dbraw/zinc/98/53/42/446985342.db2.gz ATEHRFRQJBRSJT-RDJZCZTQSA-N 1 0 348.447 1.652 20 5 EDBDRO CCOc1cc(CN2C[C@@H](C)[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000419325742 447092776 /nfs/dbraw/zinc/09/27/76/447092776.db2.gz BGYVRYZHPUJHMQ-ZIAGYGMSSA-N 1 0 337.420 1.880 20 5 EDBDRO CC(=O)N[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000421383856 447145396 /nfs/dbraw/zinc/14/53/96/447145396.db2.gz DREPFYSKOIOMLO-HNNXBMFYSA-N 1 0 343.387 1.706 20 5 EDBDRO CS[C@@H]1CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000425356552 447125444 /nfs/dbraw/zinc/12/54/44/447125444.db2.gz PMOIMDVJSBFKNL-QWHCGFSZSA-N 1 0 345.446 1.357 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425519509 447209469 /nfs/dbraw/zinc/20/94/69/447209469.db2.gz XAKPFJAILFVJNA-ZIAGYGMSSA-N 1 0 347.375 1.263 20 5 EDBDRO O=C(NC1CC1)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000372723558 447247164 /nfs/dbraw/zinc/24/71/64/447247164.db2.gz CFSGVBHXWMJXMS-INIZCTEOSA-N 1 0 333.388 1.619 20 5 EDBDRO COc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc([N+](=O)[O-])c1OC ZINC000421703106 447224002 /nfs/dbraw/zinc/22/40/02/447224002.db2.gz LNEYAMSXIJHLPI-LBPRGKRZSA-N 1 0 337.376 1.778 20 5 EDBDRO Cc1nc(CN2CCC[C@H]([N@H+](C)CCn3ccc([N+](=O)[O-])n3)C2)no1 ZINC000372714890 447240516 /nfs/dbraw/zinc/24/05/16/447240516.db2.gz LXLHJZQMSRBXEB-ZDUSSCGKSA-N 1 0 349.395 1.079 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000372790541 447286928 /nfs/dbraw/zinc/28/69/28/447286928.db2.gz LYEXXFQOEQFKEJ-GJZGRUSLSA-N 1 0 339.417 1.795 20 5 EDBDRO O=[N+]([O-])c1cc2ccccc2nc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000372749702 447267479 /nfs/dbraw/zinc/26/74/79/447267479.db2.gz ILNJPZUKJOJGLE-ZIAGYGMSSA-N 1 0 328.372 2.418 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000415470917 447462340 /nfs/dbraw/zinc/46/23/40/447462340.db2.gz YUQCYFRPKJCABG-JQWIXIFHSA-N 1 0 334.376 1.346 20 5 EDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415508144 447486673 /nfs/dbraw/zinc/48/66/73/447486673.db2.gz UPBGBFOGFMAGAY-CYBMUJFWSA-N 1 0 340.355 1.504 20 5 EDBDRO O=c1c(Cl)c(NC[C@H]2CCC[NH2+]2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000420158998 447644294 /nfs/dbraw/zinc/64/42/94/447644294.db2.gz CGHFHAMFHRGAOH-SNVBAGLBSA-N 1 0 349.778 1.958 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000416553586 447645532 /nfs/dbraw/zinc/64/55/32/447645532.db2.gz CLTPRCGEDLNIQV-ZDUSSCGKSA-N 1 0 341.433 1.913 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)c(C)cc1[N+](=O)[O-] ZINC000416463035 447609894 /nfs/dbraw/zinc/60/98/94/447609894.db2.gz AKVWLLRYLVESKM-UHFFFAOYSA-N 1 0 341.433 1.926 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000420166066 447650044 /nfs/dbraw/zinc/65/00/44/447650044.db2.gz IEKSBRRHYXXANZ-CYBMUJFWSA-N 1 0 348.403 1.252 20 5 EDBDRO COC(=O)c1cc(NCCCN2CC[NH2+]CC2)cc(C)c1[N+](=O)[O-] ZINC000420119694 447614091 /nfs/dbraw/zinc/61/40/91/447614091.db2.gz NUYJNVQDRCFPST-UHFFFAOYSA-N 1 0 336.392 1.397 20 5 EDBDRO C[NH2+]C[C@H](C)CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000420201995 447667870 /nfs/dbraw/zinc/66/78/70/447667870.db2.gz NRXLDXRSAAVUDC-NSHDSACASA-N 1 0 331.376 1.827 20 5 EDBDRO COC(=O)c1cc(C)nc(NCc2ccc3c(c2)C[NH2+]C3)c1[N+](=O)[O-] ZINC000420232308 447679721 /nfs/dbraw/zinc/67/97/21/447679721.db2.gz CHOOVKHWFWJXIC-UHFFFAOYSA-N 1 0 342.355 2.300 20 5 EDBDRO O=C(CN1CCC2(CC[NH2+]2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000422639603 447683976 /nfs/dbraw/zinc/68/39/76/447683976.db2.gz TUUGLBLNPJOHRJ-UHFFFAOYSA-N 1 0 330.388 1.312 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000429129735 447728487 /nfs/dbraw/zinc/72/84/87/447728487.db2.gz PTWLLCFIMVWVRU-USWWRNFRSA-N 1 0 338.412 1.023 20 5 EDBDRO O=C(CC[N@H+]1CC[C@@](O)(C(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451432314 447731857 /nfs/dbraw/zinc/73/18/57/447731857.db2.gz OMWDGSZDHNQDNP-AWEZNQCLSA-N 1 0 329.303 1.625 20 5 EDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000422962164 447782269 /nfs/dbraw/zinc/78/22/69/447782269.db2.gz FBEGUVHFFDAZGW-OAHLLOKOSA-N 1 0 329.360 1.646 20 5 EDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000451917725 447783562 /nfs/dbraw/zinc/78/35/62/447783562.db2.gz NZQGCPKTEUCSKD-GJZGRUSLSA-N 1 0 346.431 1.942 20 5 EDBDRO CC[N@@H+]1CCCC[C@@H]1CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000530940891 447987797 /nfs/dbraw/zinc/98/77/97/447987797.db2.gz CUMGSNQONFWFKB-LLVKDONJSA-N 1 0 342.421 1.529 20 5 EDBDRO COc1ccc(CC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000525540230 448004444 /nfs/dbraw/zinc/00/44/44/448004444.db2.gz NCJWOUWIXGMGCI-OCCSQVGLSA-N 1 0 335.404 1.945 20 5 EDBDRO CNc1nccc(C(=O)NC2CC([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000570862554 448077492 /nfs/dbraw/zinc/07/74/92/448077492.db2.gz SWJVYQIWACIDHC-UHFFFAOYSA-N 1 0 333.392 1.778 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000576568383 448085125 /nfs/dbraw/zinc/08/51/25/448085125.db2.gz GDADYHCKBBMZTK-GFCCVEGCSA-N 1 0 344.318 1.270 20 5 EDBDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000505295920 448112370 /nfs/dbraw/zinc/11/23/70/448112370.db2.gz OBNHWKLXTGTUOU-ZDUSSCGKSA-N 1 0 329.360 1.712 20 5 EDBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491792619 448125156 /nfs/dbraw/zinc/12/51/56/448125156.db2.gz HPQDGKBLKWLCPE-SDQPKGBYSA-N 1 0 336.367 1.109 20 5 EDBDRO CNc1nccc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000557522953 448184843 /nfs/dbraw/zinc/18/48/43/448184843.db2.gz HBYOKIHDLJIOBD-RYUDHWBXSA-N 1 0 335.408 1.882 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[N@H+](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000577080876 448207860 /nfs/dbraw/zinc/20/78/60/448207860.db2.gz CHDBEODSGHYSEL-UHFFFAOYSA-N 1 0 336.392 1.568 20 5 EDBDRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000591010548 448228942 /nfs/dbraw/zinc/22/89/42/448228942.db2.gz ALGADWHWMJYJLF-GFCCVEGCSA-N 1 0 334.376 1.442 20 5 EDBDRO C[NH+]1CCC(CCO)(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000492471397 448219530 /nfs/dbraw/zinc/21/95/30/448219530.db2.gz HYZAIWUBSZAWCC-VOTSOKGWSA-N 1 0 333.388 1.571 20 5 EDBDRO COc1cc(S(=O)(=O)NCC[N@@H+]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000532347960 448241542 /nfs/dbraw/zinc/24/15/42/448241542.db2.gz VGQSICQMOURPQL-NSHDSACASA-N 1 0 343.405 1.224 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000571979332 448251444 /nfs/dbraw/zinc/25/14/44/448251444.db2.gz KTULCXGCDZLJDN-LLVKDONJSA-N 1 0 348.403 1.608 20 5 EDBDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492804679 448298426 /nfs/dbraw/zinc/29/84/26/448298426.db2.gz XLPLVCSNSAMMGR-CEKUCVKPSA-N 1 0 333.388 1.522 20 5 EDBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000564466243 448330681 /nfs/dbraw/zinc/33/06/81/448330681.db2.gz LSXQWIAXLBFRNL-ZDUSSCGKSA-N 1 0 349.435 2.416 20 5 EDBDRO CC[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC[C@H]1[NH3+] ZINC000591346288 448333237 /nfs/dbraw/zinc/33/32/37/448333237.db2.gz PFEZWZRDBAIQOS-BXUZGUMPSA-N 1 0 336.392 1.872 20 5 EDBDRO CNc1nccc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000565850402 448381237 /nfs/dbraw/zinc/38/12/37/448381237.db2.gz MGOKZBPWRFJAQY-GFCCVEGCSA-N 1 0 335.408 2.026 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(CCO)CCCCC2)c1 ZINC000566231855 448422249 /nfs/dbraw/zinc/42/22/49/448422249.db2.gz GZHGZYJUTGIHOM-CQSZACIVSA-N 1 0 326.397 1.075 20 5 EDBDRO C[C@@H]1CC2(CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000591667325 448439819 /nfs/dbraw/zinc/43/98/19/448439819.db2.gz LHLDTAUKQCFQPQ-GFCCVEGCSA-N 1 0 339.417 1.748 20 5 EDBDRO COc1ccccc1[C@H]([NH3+])CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000591680805 448449359 /nfs/dbraw/zinc/44/93/59/448449359.db2.gz JHFQIDUMPMUYMC-CYBMUJFWSA-N 1 0 333.348 1.006 20 5 EDBDRO COc1ccc(CC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000591684154 448450989 /nfs/dbraw/zinc/45/09/89/448450989.db2.gz QVNCOFUTUACIOE-KRWDZBQOSA-N 1 0 333.388 1.748 20 5 EDBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000566620178 448523158 /nfs/dbraw/zinc/52/31/58/448523158.db2.gz QQBJSLJXPXUHFS-CYBMUJFWSA-N 1 0 348.384 1.155 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000566745324 448550427 /nfs/dbraw/zinc/55/04/27/448550427.db2.gz QWHRIEBRMRNLMS-NEPJUHHUSA-N 1 0 327.406 1.712 20 5 EDBDRO C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000518315174 448663055 /nfs/dbraw/zinc/66/30/55/448663055.db2.gz ZBISMLXHBWGVJP-BBRMVZONSA-N 1 0 335.404 1.661 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000592254265 448763538 /nfs/dbraw/zinc/76/35/38/448763538.db2.gz BCWSIKPWIHHQTI-CHWSQXEVSA-N 1 0 335.408 1.489 20 5 EDBDRO CCCN1CCC[C@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000518966437 448725696 /nfs/dbraw/zinc/72/56/96/448725696.db2.gz NMGAMQRWXYCJHA-HOTGVXAUSA-N 1 0 337.420 1.799 20 5 EDBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000567784070 448760786 /nfs/dbraw/zinc/76/07/86/448760786.db2.gz DLJIJTXLBPYRTB-LRDDRELGSA-N 1 0 327.344 1.923 20 5 EDBDRO NC(=O)c1ccc(SCc2nc([C@@H]3CCC[NH2+]3)no2)c([N+](=O)[O-])c1 ZINC000592357349 448803612 /nfs/dbraw/zinc/80/36/12/448803612.db2.gz YBTOWTITRTYEON-VIFPVBQESA-N 1 0 349.372 1.794 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC(C)(C)C[NH3+] ZINC000592373237 448809954 /nfs/dbraw/zinc/80/99/54/448809954.db2.gz JFJRPPWQDRMVRR-UHFFFAOYSA-N 1 0 331.394 1.209 20 5 EDBDRO COc1ccccc1[C@H]([NH3+])CNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000592287126 448773364 /nfs/dbraw/zinc/77/33/64/448773364.db2.gz PWVCXPOFTUUFJH-LLVKDONJSA-N 1 0 333.348 1.075 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000592381593 448813926 /nfs/dbraw/zinc/81/39/26/448813926.db2.gz YHGYWQBSCJLADR-GXTWGEPZSA-N 1 0 339.417 1.151 20 5 EDBDRO Cc1cc(C[C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000574071872 448785943 /nfs/dbraw/zinc/78/59/43/448785943.db2.gz NLUPWQBXIMVTPA-FZMZJTMJSA-N 1 0 334.376 1.587 20 5 EDBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000592342914 448799477 /nfs/dbraw/zinc/79/94/77/448799477.db2.gz IMNIFJTTWXVDSQ-GDBMZVCRSA-N 1 0 333.388 1.953 20 5 EDBDRO C[C@@H]([NH3+])CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000592385156 448816631 /nfs/dbraw/zinc/81/66/31/448816631.db2.gz NGTZOFOIZPVSQE-ZCFIWIBFSA-N 1 0 327.284 1.239 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(Cc3ccc(F)cc3)CC2)c1 ZINC000574312034 448842501 /nfs/dbraw/zinc/84/25/01/448842501.db2.gz GGLKDBAYHPQZSW-INIZCTEOSA-N 1 0 348.378 1.904 20 5 EDBDRO CC[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC[C@@H]1[NH3+] ZINC000592485910 448857157 /nfs/dbraw/zinc/85/71/57/448857157.db2.gz LFNBJWUPEYITHE-YPMHNXCESA-N 1 0 336.392 1.601 20 5 EDBDRO COc1cc(OCC(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000592568317 448904292 /nfs/dbraw/zinc/90/42/92/448904292.db2.gz MNBRCTIUXZZURU-LBPRGKRZSA-N 1 0 349.387 1.773 20 5 EDBDRO CCc1ccc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588864003 448943514 /nfs/dbraw/zinc/94/35/14/448943514.db2.gz VTXUINDPORQELZ-HUUCEWRRSA-N 1 0 333.388 1.438 20 5 EDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595608557 449077173 /nfs/dbraw/zinc/07/71/73/449077173.db2.gz SKHHAHUSBIVCSH-STQMWFEESA-N 1 0 344.375 1.535 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000589926696 449081602 /nfs/dbraw/zinc/08/16/02/449081602.db2.gz YROYKYULFRVNTK-FZMZJTMJSA-N 1 0 325.390 1.228 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000589928222 449082446 /nfs/dbraw/zinc/08/24/46/449082446.db2.gz DUWMDIASJBWDFS-TZMCWYRMSA-N 1 0 339.417 1.536 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000590011584 449097309 /nfs/dbraw/zinc/09/73/09/449097309.db2.gz JZTJXDHDWCLDCE-SWLSCSKDSA-N 1 0 348.403 1.568 20 5 EDBDRO COC(=O)COc1ccc(CN2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590052460 449101235 /nfs/dbraw/zinc/10/12/35/449101235.db2.gz CEYNCZOROVQLPJ-UKRRQHHQSA-N 1 0 349.387 1.283 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000595791517 449167788 /nfs/dbraw/zinc/16/77/88/449167788.db2.gz VBANVTJVXROPBO-NUEKZKHPSA-N 1 0 338.408 1.433 20 5 EDBDRO C[C@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1CC[NH3+] ZINC000593735726 449170665 /nfs/dbraw/zinc/17/06/65/449170665.db2.gz ZKGSYOZAWFBZFB-XJKSGUPXSA-N 1 0 346.431 1.933 20 5 EDBDRO C[C@@]12COC[C@@H]1C[N@H+](CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)C2 ZINC000595756870 449150172 /nfs/dbraw/zinc/15/01/72/449150172.db2.gz GZEPOWWFHVHNES-SUMWQHHRSA-N 1 0 331.372 1.452 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NCC[C@H](C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000597995375 449179921 /nfs/dbraw/zinc/17/99/21/449179921.db2.gz FOEVADBVEJAYJQ-NSHDSACASA-N 1 0 337.376 1.842 20 5 EDBDRO CC[N@H+](CCCNC(=O)Cn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000593249618 449187882 /nfs/dbraw/zinc/18/78/82/449187882.db2.gz IGLLIYHMDICKLP-UHFFFAOYSA-N 1 0 337.424 1.952 20 5 EDBDRO O=C(C[N@@H+]1CC[C@H]2COC[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595826945 449189925 /nfs/dbraw/zinc/18/99/25/449189925.db2.gz BGKUXBYLWPRMNU-UONOGXRCSA-N 1 0 331.372 1.452 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000590566212 449193677 /nfs/dbraw/zinc/19/36/77/449193677.db2.gz VOOCOORTUDGNTL-HOTGVXAUSA-N 1 0 333.388 1.838 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(=O)n1C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601959621 449246333 /nfs/dbraw/zinc/24/63/33/449246333.db2.gz NXNYWQBOBUVWEQ-SFHVURJKSA-N 1 0 343.383 1.702 20 5 EDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000595922750 449255640 /nfs/dbraw/zinc/25/56/40/449255640.db2.gz JSMUYMSESSVGTR-CYBMUJFWSA-N 1 0 346.309 1.665 20 5 EDBDRO CNc1nccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000600230282 449255979 /nfs/dbraw/zinc/25/59/79/449255979.db2.gz QAYWDCUPIHCPDV-CYBMUJFWSA-N 1 0 347.419 2.168 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NC[C@@H](C)[NH+](C)C)c1 ZINC000593404373 449266952 /nfs/dbraw/zinc/26/69/52/449266952.db2.gz RQKMJAVFYMEZNZ-CYBMUJFWSA-N 1 0 345.403 1.828 20 5 EDBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000595967433 449288648 /nfs/dbraw/zinc/28/86/48/449288648.db2.gz SHNRBXHLGNVQRG-DGCLKSJQSA-N 1 0 333.323 1.333 20 5 EDBDRO C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000595982605 449297464 /nfs/dbraw/zinc/29/74/64/449297464.db2.gz JVSSIGGFBBGYJI-SWLSCSKDSA-N 1 0 348.403 1.232 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000593904238 449275355 /nfs/dbraw/zinc/27/53/55/449275355.db2.gz PEWMGGJMLDPBJR-AWEZNQCLSA-N 1 0 343.387 1.569 20 5 EDBDRO C[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1CCO ZINC000590758922 449277106 /nfs/dbraw/zinc/27/71/06/449277106.db2.gz TVRUCTRAGWPFFZ-GASCZTMLSA-N 1 0 337.420 1.751 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000598342074 449356871 /nfs/dbraw/zinc/35/68/71/449356871.db2.gz DFKFKXFIWPDPQU-ZDUSSCGKSA-N 1 0 344.375 1.390 20 5 EDBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000596097894 449361057 /nfs/dbraw/zinc/36/10/57/449361057.db2.gz IINSZSXEVAMRGF-NSHDSACASA-N 1 0 342.421 1.209 20 5 EDBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[NH+]1CCC(C)CC1 ZINC000593536475 449332531 /nfs/dbraw/zinc/33/25/31/449332531.db2.gz RFWAKEHHSPFNAL-GFCCVEGCSA-N 1 0 342.421 1.389 20 5 EDBDRO C[N@@H+]1CCN(c2ccc(N)c([N+](=O)[O-])n2)C[C@H]1Cc1ccccc1 ZINC000596224323 449425069 /nfs/dbraw/zinc/42/50/69/449425069.db2.gz AJMWLWBXDYJRJG-CQSZACIVSA-N 1 0 327.388 1.935 20 5 EDBDRO C[C@H](NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000594211500 449390833 /nfs/dbraw/zinc/39/08/33/449390833.db2.gz DHKHIUFGJGTYFA-TUKIKUTGSA-N 1 0 334.376 1.116 20 5 EDBDRO Nc1ccc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)nc1[N+](=O)[O-] ZINC000596167744 449393186 /nfs/dbraw/zinc/39/31/86/449393186.db2.gz LJMKPABQVUPLOW-ZDUSSCGKSA-N 1 0 335.408 1.653 20 5 EDBDRO NC(=O)c1cc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000596295120 449460479 /nfs/dbraw/zinc/46/04/79/449460479.db2.gz PNWYKDLYFCHTGA-CYBMUJFWSA-N 1 0 348.403 1.385 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000596306567 449466880 /nfs/dbraw/zinc/46/68/80/449466880.db2.gz GFSRCSRDSZSIEA-NSHDSACASA-N 1 0 342.421 1.527 20 5 EDBDRO CC[C@@H](C)[N@H+](C)CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598592627 449480777 /nfs/dbraw/zinc/48/07/77/449480777.db2.gz KJNNBVJKGHBCMP-GFCCVEGCSA-N 1 0 338.412 1.364 20 5 EDBDRO COC(=O)c1ccnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000598606929 449489138 /nfs/dbraw/zinc/48/91/38/449489138.db2.gz GYBZRRIJWWFQCO-DGCLKSJQSA-N 1 0 334.376 1.697 20 5 EDBDRO Cc1c(Br)c(N[C@H](CO)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC000596243597 449435759 /nfs/dbraw/zinc/43/57/59/449435759.db2.gz MIASOXWVMHIFNA-QMMMGPOBSA-N 1 0 333.186 1.395 20 5 EDBDRO CC(C)[C@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598665875 449527529 /nfs/dbraw/zinc/52/75/29/449527529.db2.gz RNWSOXVIAVIMDE-CQSZACIVSA-N 1 0 349.391 1.173 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000598671077 449532155 /nfs/dbraw/zinc/53/21/55/449532155.db2.gz YJYAGRBUWBBWEJ-CXAGYDPISA-N 1 0 347.371 1.725 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594474069 449538958 /nfs/dbraw/zinc/53/89/58/449538958.db2.gz DOKOCLQZVQBTGB-TXEJJXNPSA-N 1 0 327.406 1.522 20 5 EDBDRO [NH3+][C@]12CCC[C@@H]1CN(CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000598681515 449539194 /nfs/dbraw/zinc/53/91/94/449539194.db2.gz GMFHOMXKHNUDEG-PXAZEXFGSA-N 1 0 346.387 1.706 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000598617678 449495950 /nfs/dbraw/zinc/49/59/50/449495950.db2.gz GXASVALVIICPNY-GFCCVEGCSA-N 1 0 327.406 1.442 20 5 EDBDRO C[NH2+]C1(CNc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CCC1 ZINC000598633458 449509366 /nfs/dbraw/zinc/50/93/66/449509366.db2.gz OBEWZPFWIUZKAW-UHFFFAOYSA-N 1 0 342.421 1.399 20 5 EDBDRO O=C([C@H]1C[C@@]12CCC[NH2+]C2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000594428018 449511394 /nfs/dbraw/zinc/51/13/94/449511394.db2.gz KPKYSUPPHMQBRI-RHSMWYFYSA-N 1 0 345.403 1.028 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000594513799 449559661 /nfs/dbraw/zinc/55/96/61/449559661.db2.gz HOZAPSMKRRSWPF-GFCCVEGCSA-N 1 0 331.376 1.769 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000598716286 449559713 /nfs/dbraw/zinc/55/97/13/449559713.db2.gz HTGMXZBPTJBSEN-QWHCGFSZSA-N 1 0 339.417 1.584 20 5 EDBDRO CC(C)[NH2+][C@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000612098808 449561318 /nfs/dbraw/zinc/56/13/18/449561318.db2.gz ITVFLUOCQHXWNT-LSDHHAIUSA-N 1 0 337.420 1.797 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598720320 449562158 /nfs/dbraw/zinc/56/21/58/449562158.db2.gz OGGKNZQQCNGQKJ-SMDDNHRTSA-N 1 0 325.390 1.405 20 5 EDBDRO C[C@]12COC[C@H]1C[N@@H+]([C@@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000594659539 449613893 /nfs/dbraw/zinc/61/38/93/449613893.db2.gz DMOAHMQYLZPGBW-ZLENFMNRSA-N 1 0 345.355 1.195 20 5 EDBDRO C[C@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000594749367 449666233 /nfs/dbraw/zinc/66/62/33/449666233.db2.gz SNVCILCEGVZFLW-VXGBXAGGSA-N 1 0 342.421 1.389 20 5 EDBDRO CSC[C@H](CCO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602554608 449670864 /nfs/dbraw/zinc/67/08/64/449670864.db2.gz BXAJJZUAQRPABC-ZDUSSCGKSA-N 1 0 340.449 1.662 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@]1(CO)COCC2(CCC2)N1C ZINC000598991180 449683860 /nfs/dbraw/zinc/68/38/60/449683860.db2.gz WEMZXCYGHYRZDW-GOSISDBHSA-N 1 0 349.431 1.609 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000594801822 449713546 /nfs/dbraw/zinc/71/35/46/449713546.db2.gz SYEXYMQZCUJOOV-CYBMUJFWSA-N 1 0 341.433 1.887 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](O)C(F)(F)F)CC2)cn1 ZINC000602633590 449719203 /nfs/dbraw/zinc/71/92/03/449719203.db2.gz ZBUBDUNYFYWOAV-LLVKDONJSA-N 1 0 334.298 1.471 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)c1C ZINC000594818305 449727450 /nfs/dbraw/zinc/72/74/50/449727450.db2.gz XFCBMCIJCJXYSU-LLVKDONJSA-N 1 0 329.422 1.830 20 5 EDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594778313 449690405 /nfs/dbraw/zinc/69/04/05/449690405.db2.gz HGXMPYBJPCQXKC-NWDGAFQWSA-N 1 0 340.405 1.237 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594782896 449694088 /nfs/dbraw/zinc/69/40/88/449694088.db2.gz QDKDYUQYUJQBQH-NSHDSACASA-N 1 0 328.394 1.093 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)c(C)c1[N+](=O)[O-] ZINC000599108369 449740900 /nfs/dbraw/zinc/74/09/00/449740900.db2.gz ZPYNGRMIZNZVKW-CYBMUJFWSA-N 1 0 339.417 1.775 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000599112204 449743799 /nfs/dbraw/zinc/74/37/99/449743799.db2.gz VRCWIRGXFCKSGG-GASCZTMLSA-N 1 0 339.417 1.523 20 5 EDBDRO CCn1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000602695947 449755222 /nfs/dbraw/zinc/75/52/22/449755222.db2.gz PDXDBRMRMSPESB-UHFFFAOYSA-N 1 0 330.392 1.965 20 5 EDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602695805 449755828 /nfs/dbraw/zinc/75/58/28/449755828.db2.gz OELKQCGNJIAQLE-VXGBXAGGSA-N 1 0 334.376 1.623 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[C@@H](O)C34CCC4)CC2)cn1 ZINC000602718652 449766455 /nfs/dbraw/zinc/76/64/55/449766455.db2.gz SLMGYZMFUAYBGU-HUUCEWRRSA-N 1 0 332.404 1.852 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)C2(CO)CC2)cc1[N+](=O)[O-] ZINC000594969125 449824355 /nfs/dbraw/zinc/82/43/55/449824355.db2.gz MPHCDNZNWVEGLD-LLVKDONJSA-N 1 0 338.360 1.397 20 5 EDBDRO Cc1noc(C)c1CO[C@@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602810019 449825620 /nfs/dbraw/zinc/82/56/20/449825620.db2.gz JTQRQJVCFZJPIG-CQSZACIVSA-N 1 0 349.391 1.996 20 5 EDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC([NH2+]CCO)CC1 ZINC000601327943 449835549 /nfs/dbraw/zinc/83/55/49/449835549.db2.gz ADDORPFIIJZJQM-UHFFFAOYSA-N 1 0 337.420 1.928 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601334138 449842449 /nfs/dbraw/zinc/84/24/49/449842449.db2.gz IXIRZBQENACLBO-WFASDCNBSA-N 1 0 348.403 1.616 20 5 EDBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000595102643 449869683 /nfs/dbraw/zinc/86/96/83/449869683.db2.gz QBNHIBSOZQOHQG-CYBMUJFWSA-N 1 0 341.433 1.974 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c(C)cc1[N+](=O)[O-] ZINC000595116991 449877976 /nfs/dbraw/zinc/87/79/76/449877976.db2.gz BFOONAYXXNGZSL-MFKMUULPSA-N 1 0 341.433 1.960 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601422711 449941508 /nfs/dbraw/zinc/94/15/08/449941508.db2.gz XGIPLTGNBBUDMW-VHSXEESVSA-N 1 0 333.435 1.678 20 5 EDBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601427550 449947732 /nfs/dbraw/zinc/94/77/32/449947732.db2.gz CTDIYMQPYIMWJR-UHFFFAOYSA-N 1 0 345.396 1.839 20 5 EDBDRO [NH3+][C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1c1cccc(F)c1 ZINC000595226609 449958920 /nfs/dbraw/zinc/95/89/20/449958920.db2.gz VULQWXDCKNGKLD-HUUCEWRRSA-N 1 0 347.350 1.274 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000595228707 449960049 /nfs/dbraw/zinc/96/00/49/449960049.db2.gz HOECRKAZJBICDG-USWWRNFRSA-N 1 0 338.412 1.023 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595268392 449989321 /nfs/dbraw/zinc/98/93/21/449989321.db2.gz IGPHRGYIDHFKDN-HZPDHXFCSA-N 1 0 343.387 1.443 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000595355891 450072248 /nfs/dbraw/zinc/07/22/48/450072248.db2.gz SRBJFGSZWSPPLJ-ZDUSSCGKSA-N 1 0 327.406 1.499 20 5 EDBDRO CC(C)[NH2+][C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000609386069 450022717 /nfs/dbraw/zinc/02/27/17/450022717.db2.gz KEPBJIPLLHTQOC-HOCLYGCPSA-N 1 0 337.420 1.797 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000609548614 450048976 /nfs/dbraw/zinc/04/89/76/450048976.db2.gz PGECHGNNXIDHNW-SNVBAGLBSA-N 1 0 342.355 1.815 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000595344189 450057349 /nfs/dbraw/zinc/05/73/49/450057349.db2.gz BDYCJNXXTPLBQA-JTQLQIEISA-N 1 0 333.435 1.761 20 5 EDBDRO CCC(O)(CC)C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000599672246 450142795 /nfs/dbraw/zinc/14/27/95/450142795.db2.gz BFYNFEJHSFYNJU-ZDUSSCGKSA-N 1 0 326.393 1.817 20 5 EDBDRO Cc1noc(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1[N+](=O)[O-] ZINC000595450208 450151501 /nfs/dbraw/zinc/15/15/01/450151501.db2.gz SEOPEVVXGOXGKE-MRXNPFEDSA-N 1 0 328.328 1.987 20 5 EDBDRO O=[N+]([O-])c1ccc(OCCn2cc(C[C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000603199709 450136529 /nfs/dbraw/zinc/13/65/29/450136529.db2.gz DMMPAYOTTYOOGA-CYBMUJFWSA-N 1 0 331.376 1.807 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)c1 ZINC000597694156 450202287 /nfs/dbraw/zinc/20/22/87/450202287.db2.gz JALKQTDFHGLLRG-UHFFFAOYSA-N 1 0 332.404 1.223 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000610390132 450205281 /nfs/dbraw/zinc/20/52/81/450205281.db2.gz ULPXGIHLCLEHIJ-HZPDHXFCSA-N 1 0 332.360 1.695 20 5 EDBDRO Cc1ccc(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)cc1[N+](=O)[O-] ZINC000610479537 450235945 /nfs/dbraw/zinc/23/59/45/450235945.db2.gz AJLKELIMXDUNCZ-HNNXBMFYSA-N 1 0 333.388 1.773 20 5 EDBDRO CCC1([NH+](C)C)CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000601790804 450241898 /nfs/dbraw/zinc/24/18/98/450241898.db2.gz CAFHIAUJAYPUHI-UHFFFAOYSA-N 1 0 337.424 1.823 20 5 EDBDRO C[NH+]1CCN(Cc2ccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])cc2)CC1 ZINC000619786063 450334411 /nfs/dbraw/zinc/33/44/11/450334411.db2.gz MGKSXNSTVXSKGJ-UHFFFAOYSA-N 1 0 344.375 1.318 20 5 EDBDRO Nc1c(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000619872116 450349360 /nfs/dbraw/zinc/34/93/60/450349360.db2.gz ZYTMEEKEXRDSDN-CYBMUJFWSA-N 1 0 348.403 1.504 20 5 EDBDRO COc1ccccc1C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000174740235 534069659 /nfs/dbraw/zinc/06/96/59/534069659.db2.gz SWDAKRRXUNIILU-INIZCTEOSA-N 1 0 346.387 1.825 20 5 EDBDRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000183911662 534446261 /nfs/dbraw/zinc/44/62/61/534446261.db2.gz XOVHIYJZOFPMRM-UONOGXRCSA-N 1 0 335.360 1.595 20 5 EDBDRO [NH3+]CCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000181072468 534604445 /nfs/dbraw/zinc/60/44/45/534604445.db2.gz FTGODIUVPCUOLX-JTQLQIEISA-N 1 0 340.405 1.116 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000158423961 528335766 /nfs/dbraw/zinc/33/57/66/528335766.db2.gz YEVKARMHAUNXNY-KRWDZBQOSA-N 1 0 349.387 1.828 20 5 EDBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000154441312 528546260 /nfs/dbraw/zinc/54/62/60/528546260.db2.gz OVBJTVJBISCQGU-WCQYABFASA-N 1 0 335.408 1.827 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183974904 528546435 /nfs/dbraw/zinc/54/64/35/528546435.db2.gz VIALUTHDDBAEMG-UHFFFAOYSA-N 1 0 347.318 1.240 20 5 EDBDRO CC[N@@H+]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000131192619 529042606 /nfs/dbraw/zinc/04/26/06/529042606.db2.gz BSERFGYYTNATFQ-UHFFFAOYSA-N 1 0 327.406 1.452 20 5 EDBDRO CC[C@@H](C)[N@H+](CCO)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000347467868 535556562 /nfs/dbraw/zinc/55/65/62/535556562.db2.gz FMHPOCBHOSMIMY-GFCCVEGCSA-N 1 0 337.376 1.986 20 5 EDBDRO CNS(=O)(=O)c1ccc(NCC2=CC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000271821348 536319369 /nfs/dbraw/zinc/31/93/69/536319369.db2.gz NIBQPPCRWDXFDK-UHFFFAOYSA-N 1 0 340.405 1.177 20 5 EDBDRO C[NH2+][C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000261735528 536365584 /nfs/dbraw/zinc/36/55/84/536365584.db2.gz JYZNLVAWONPHNG-VXGBXAGGSA-N 1 0 336.392 1.614 20 5 EDBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000237321606 536468252 /nfs/dbraw/zinc/46/82/52/536468252.db2.gz AXWUSNOIGRFURT-SNVBAGLBSA-N 1 0 347.824 1.787 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000347943354 536877034 /nfs/dbraw/zinc/87/70/34/536877034.db2.gz OYUPTZVSYAUREL-NEPJUHHUSA-N 1 0 339.367 1.674 20 5 EDBDRO O=[N+]([O-])c1cn(CN2CC[C@@H]([NH+]3CCCC3)C2)nc1-c1ccncc1 ZINC000742147973 579436444 /nfs/dbraw/zinc/43/64/44/579436444.db2.gz MHEYBORNCCLSTQ-OAHLLOKOSA-N 1 0 342.403 1.981 20 5 EDBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000728604251 578549334 /nfs/dbraw/zinc/54/93/34/578549334.db2.gz BJNXNVDLSUZZGO-CQSZACIVSA-N 1 0 345.403 1.934 20 5 EDBDRO CCCN(CC[NH+](C)C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000729431488 578574932 /nfs/dbraw/zinc/57/49/32/578574932.db2.gz JUBPXGZZKDCSRG-UHFFFAOYSA-N 1 0 333.392 1.745 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000729984291 578605892 /nfs/dbraw/zinc/60/58/92/578605892.db2.gz YYCPTLGEEGZSMV-RZIFZGNASA-N 1 0 333.388 1.835 20 5 EDBDRO CC1(C)CN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CCCO1 ZINC000735298094 578872376 /nfs/dbraw/zinc/87/23/76/578872376.db2.gz PDVHZRMGJGETIN-UHFFFAOYSA-N 1 0 333.344 1.649 20 5 EDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000735759257 578921155 /nfs/dbraw/zinc/92/11/55/578921155.db2.gz QQGQFMKTUDYSJC-AWEZNQCLSA-N 1 0 331.380 1.551 20 5 EDBDRO COc1ccc(NC(=O)CCN2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000761080696 580047436 /nfs/dbraw/zinc/04/74/36/580047436.db2.gz VIKQWYRKIHSBNR-GFCCVEGCSA-N 1 0 336.392 1.568 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000749446531 579726922 /nfs/dbraw/zinc/72/69/22/579726922.db2.gz NZCVIQOMHCFNAV-KGLIPLIRSA-N 1 0 345.403 1.934 20 5 EDBDRO CC[N@@H+]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000754224643 579898763 /nfs/dbraw/zinc/89/87/63/579898763.db2.gz MQCVUNFPINPBGB-GFCCVEGCSA-N 1 0 335.360 1.339 20 5 EDBDRO CN(C(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000778268946 580460370 /nfs/dbraw/zinc/46/03/70/580460370.db2.gz JHYHHMAQJVFDLF-NSHDSACASA-N 1 0 347.400 1.908 20 5 EDBDRO CCCNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776577970 580421890 /nfs/dbraw/zinc/42/18/90/580421890.db2.gz BNSWVWKKMAHICI-ZBFHGGJFSA-N 1 0 335.404 1.866 20 5 EDBDRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000780865039 580535675 /nfs/dbraw/zinc/53/56/75/580535675.db2.gz HZKWGXRGXJPVOQ-CYBMUJFWSA-N 1 0 341.433 1.541 20 5 EDBDRO O=C(Nc1ccncc1[N+](=O)[O-])NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000781448583 580549990 /nfs/dbraw/zinc/54/99/90/580549990.db2.gz RDNBSGYDYCPOFB-CYBMUJFWSA-N 1 0 349.391 1.177 20 5 EDBDRO COC(=O)CC(C)(C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000784189584 580614985 /nfs/dbraw/zinc/61/49/85/580614985.db2.gz NYEGGVIOONJXSJ-NSHDSACASA-N 1 0 326.349 1.266 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc([N+](=O)[O-])c1F ZINC000784724890 580627243 /nfs/dbraw/zinc/62/72/43/580627243.db2.gz TWARRDGBGACYNP-VXGBXAGGSA-N 1 0 345.396 1.803 20 5 EDBDRO CN1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@H+](C)CC1 ZINC000888998924 590753897 /nfs/dbraw/zinc/75/38/97/590753897.db2.gz RBBUIOUEWUWTDK-VMPITWQZSA-N 1 0 332.404 1.314 20 5 EDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000804777653 590766595 /nfs/dbraw/zinc/76/65/95/590766595.db2.gz CHVZQQKGPNLPIL-HNNXBMFYSA-N 1 0 345.403 1.935 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000892334189 590962226 /nfs/dbraw/zinc/96/22/26/590962226.db2.gz REWUJTYLNKEJHV-UHFFFAOYSA-N 1 0 333.392 1.923 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000891345499 591051237 /nfs/dbraw/zinc/05/12/37/591051237.db2.gz WJOKKEVHFHCCFZ-CYBMUJFWSA-N 1 0 329.360 1.789 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891537539 591112240 /nfs/dbraw/zinc/11/22/40/591112240.db2.gz KLAISFOHCWJTHN-CABCVRRESA-N 1 0 334.376 1.510 20 5 EDBDRO Cc1nn(C)c(C(=O)N2[C@H](C)CCC[C@H]2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000893027469 591259084 /nfs/dbraw/zinc/25/90/84/591259084.db2.gz VELPBQYCONFTME-YPMHNXCESA-N 1 0 337.424 1.972 20 5 EDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC000895769697 591269394 /nfs/dbraw/zinc/26/93/94/591269394.db2.gz BPCFJUGFPPBRQY-CJNGLKHVSA-N 1 0 347.415 1.801 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(O)(COCCO)CC1 ZINC000895827836 591278086 /nfs/dbraw/zinc/27/80/86/591278086.db2.gz CRQKZDPHAVZLAN-UHFFFAOYSA-N 1 0 338.404 1.547 20 5 EDBDRO C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCN1C ZINC000896553413 591518364 /nfs/dbraw/zinc/51/83/64/591518364.db2.gz AGNURPLMEMUYEQ-XJKSGUPXSA-N 1 0 348.447 1.623 20 5 EDBDRO C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC000896557231 591521647 /nfs/dbraw/zinc/52/16/47/591521647.db2.gz SRGCJICJPCKEEQ-XJKSGUPXSA-N 1 0 334.420 1.278 20 5 EDBDRO COC(=O)COc1ccc(CN2CCO[C@H](C)CC2)cc1[N+](=O)[O-] ZINC000896584530 591541606 /nfs/dbraw/zinc/54/16/06/591541606.db2.gz OKWXALLQYAHZCZ-GFCCVEGCSA-N 1 0 338.360 1.757 20 5 EDBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000895268555 591690160 /nfs/dbraw/zinc/69/01/60/591690160.db2.gz OPSQWRVULXJVSM-LLVKDONJSA-N 1 0 330.348 1.074 20 5 EDBDRO C[NH+](C)CC(C)(C)NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000899159940 591707414 /nfs/dbraw/zinc/70/74/14/591707414.db2.gz WKCHPYGSZMWDDL-UHFFFAOYSA-N 1 0 345.403 1.910 20 5 EDBDRO O=C(NCC[NH+]1CCC1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000897037727 591719120 /nfs/dbraw/zinc/71/91/20/591719120.db2.gz VGAWLNOAHFAZIG-UHFFFAOYSA-N 1 0 329.360 1.275 20 5 EDBDRO C[C@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000900807989 592130600 /nfs/dbraw/zinc/13/06/00/592130600.db2.gz XSRWKKDIFWAVIA-SMDDNHRTSA-N 1 0 338.383 1.027 20 5 EDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[C@H]1C[N@H+](C)CCN1C ZINC000900807678 592130947 /nfs/dbraw/zinc/13/09/47/592130947.db2.gz UYRHEHJLRCZUBC-MLGOLLRUSA-N 1 0 349.435 1.025 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C[C@@H]1[NH+](C)C ZINC000906840370 592364665 /nfs/dbraw/zinc/36/46/65/592364665.db2.gz FKEWQNBUBPIGFS-AAEUAGOBSA-N 1 0 349.387 1.778 20 5 EDBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000905287655 592493356 /nfs/dbraw/zinc/49/33/56/592493356.db2.gz DOISIKYJXCZJKK-ZJUUUORDSA-N 1 0 329.303 1.538 20 5 EDBDRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]CC[N+](=O)[O-] ZINC000905370227 592517642 /nfs/dbraw/zinc/51/76/42/592517642.db2.gz DMPONCGBKBMIDC-JTQLQIEISA-N 1 0 347.209 1.475 20 5 EDBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905427963 592532141 /nfs/dbraw/zinc/53/21/41/592532141.db2.gz PUSPHPNIYICQRH-LBPRGKRZSA-N 1 0 345.193 1.723 20 5 EDBDRO O=C(N1CCc2ccc([N+](=O)[O-])cc21)C1(n2cccn2)CC[NH2+]CC1 ZINC000906223719 592761661 /nfs/dbraw/zinc/76/16/61/592761661.db2.gz WIWYUIHWIYQBLL-UHFFFAOYSA-N 1 0 341.371 1.459 20 5 EDBDRO CCN1CCO[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000734789841 592969159 /nfs/dbraw/zinc/96/91/59/592969159.db2.gz JYMFDKIWPBSCMZ-ZDUSSCGKSA-N 1 0 336.392 1.111 20 5 EDBDRO C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000911736553 592993288 /nfs/dbraw/zinc/99/32/88/592993288.db2.gz LOVLTIBDRXKKFP-NHYWBVRUSA-N 1 0 332.360 1.298 20 5 EDBDRO C[NH2+]C1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC1 ZINC000911786920 593008471 /nfs/dbraw/zinc/00/84/71/593008471.db2.gz KJJREHVIDUEJJY-UHFFFAOYSA-N 1 0 335.360 1.580 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000911881350 593030119 /nfs/dbraw/zinc/03/01/19/593030119.db2.gz PWXTUAJNADUNDG-QMTHXVAHSA-N 1 0 341.795 1.755 20 5 EDBDRO O=C([C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000805809934 593146600 /nfs/dbraw/zinc/14/66/00/593146600.db2.gz ABLNXWLPLKFMOU-HOCLYGCPSA-N 1 0 333.388 1.573 20 5 EDBDRO CC(=O)NCC[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000805821549 593148152 /nfs/dbraw/zinc/14/81/52/593148152.db2.gz BDRNRPRHUCWRPF-YOEHRIQHSA-N 1 0 335.404 1.866 20 5 EDBDRO CC[C@@H]1C[N@H+](C)CCN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000840094154 593170756 /nfs/dbraw/zinc/17/07/56/593170756.db2.gz RFSHLEZIBUBQRM-CQSZACIVSA-N 1 0 330.392 1.837 20 5 EDBDRO CNc1ccc(C(=O)OC[C@@H]2C[N@@H+](C(C)C)CCO2)cc1[N+](=O)[O-] ZINC000802139980 593222879 /nfs/dbraw/zinc/22/28/79/593222879.db2.gz KQXZMANEBJNLCP-ZDUSSCGKSA-N 1 0 337.376 1.903 20 5 EDBDRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000808224855 593242700 /nfs/dbraw/zinc/24/27/00/593242700.db2.gz WFAUUVQUJHTQJK-LLVKDONJSA-N 1 0 332.360 1.263 20 5 EDBDRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000839484890 593306118 /nfs/dbraw/zinc/30/61/18/593306118.db2.gz NZIDCOHWRXOHKX-UHFFFAOYSA-N 1 0 340.767 1.399 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000839607258 593348555 /nfs/dbraw/zinc/34/85/55/593348555.db2.gz VKEFTHYONNPBLK-HZMBPMFUSA-N 1 0 338.795 1.823 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804349034 593407352 /nfs/dbraw/zinc/40/73/52/593407352.db2.gz IHVHSJOANMDDEY-LBPRGKRZSA-N 1 0 337.380 1.941 20 5 EDBDRO COC(=O)c1cc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n(C)c1C ZINC000812756925 593508742 /nfs/dbraw/zinc/50/87/42/593508742.db2.gz DRCVAURCZXXORJ-MRXNPFEDSA-N 1 0 347.371 1.852 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000813855869 593558590 /nfs/dbraw/zinc/55/85/90/593558590.db2.gz SFUPBAAJMMSBBZ-UHFFFAOYSA-N 1 0 326.372 1.347 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000814910364 593606824 /nfs/dbraw/zinc/60/68/24/593606824.db2.gz UMJSMPIRPUYLEI-KRWDZBQOSA-N 1 0 332.404 1.877 20 5 EDBDRO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592377 593643694 /nfs/dbraw/zinc/64/36/94/593643694.db2.gz HGJWEQFDXCULAD-KCJUWKMLSA-N 1 0 346.309 1.991 20 5 EDBDRO CCn1nc(C)c(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000818347356 593694063 /nfs/dbraw/zinc/69/40/63/593694063.db2.gz ZDVLOOJAXNUARQ-JSGCOSHPSA-N 1 0 333.396 1.985 20 5 EDBDRO Cn1cc(N2CCC[C@H]([NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000819103693 593738996 /nfs/dbraw/zinc/73/89/96/593738996.db2.gz GHTYXHUQUBVSGQ-WMLDXEAASA-N 1 0 345.403 1.620 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCN(c3cccnn3)CC2)cc1 ZINC000819263730 593747422 /nfs/dbraw/zinc/74/74/22/593747422.db2.gz DSFIUGOPRZCIPM-MRXNPFEDSA-N 1 0 343.387 1.677 20 5 EDBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[N@@H+]1C1CC1 ZINC000820664508 593857444 /nfs/dbraw/zinc/85/74/44/593857444.db2.gz AZAYTMBGWQRHQB-ZJUUUORDSA-N 1 0 329.364 1.812 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000820752036 593880766 /nfs/dbraw/zinc/88/07/66/593880766.db2.gz JSUXYZJEUBBZES-CMPLNLGQSA-N 1 0 331.380 1.551 20 5 EDBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821001188 593942383 /nfs/dbraw/zinc/94/23/83/593942383.db2.gz PSIVURWIUZPFCP-DGCLKSJQSA-N 1 0 343.391 1.838 20 5 EDBDRO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000824649077 594050907 /nfs/dbraw/zinc/05/09/07/594050907.db2.gz BAHTZZQJMLGAGE-MRXNPFEDSA-N 1 0 333.388 1.715 20 5 EDBDRO COCC1(c2nc(Cc3ccccc3[N+](=O)[O-])no2)CC[NH2+]CC1 ZINC000822646414 594079278 /nfs/dbraw/zinc/07/92/78/594079278.db2.gz GRDLOBBSSFJKRY-UHFFFAOYSA-N 1 0 332.360 1.836 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000827328867 594661533 /nfs/dbraw/zinc/66/15/33/594661533.db2.gz FQZWWPLFOQINFG-JSGCOSHPSA-N 1 0 349.387 1.535 20 5 EDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841201154 594867496 /nfs/dbraw/zinc/86/74/96/594867496.db2.gz RCEKLHHFXBQZGT-RKDXNWHRSA-N 1 0 340.767 1.382 20 5 EDBDRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000841233629 594873854 /nfs/dbraw/zinc/87/38/54/594873854.db2.gz ANGFLKUIOFIOFY-AWEZNQCLSA-N 1 0 340.767 1.384 20 5 EDBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000837132596 595040447 /nfs/dbraw/zinc/04/04/47/595040447.db2.gz AQBMSOCZCSSQIX-UHFFFAOYSA-N 1 0 328.457 1.354 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843455809 595116594 /nfs/dbraw/zinc/11/65/94/595116594.db2.gz GNFAGBDTWIORKC-UHFFFAOYSA-N 1 0 347.379 1.250 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCC2(C[NH3+])CC2)c1 ZINC000846231395 595180810 /nfs/dbraw/zinc/18/08/10/595180810.db2.gz KYQAXHOALQLXJL-UHFFFAOYSA-N 1 0 347.824 1.964 20 5 EDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCC[NH+]1CCOCC1 ZINC000843767578 595181149 /nfs/dbraw/zinc/18/11/49/595181149.db2.gz KCPCUCBFZVSDPA-UHFFFAOYSA-N 1 0 339.367 1.885 20 5 EDBDRO CC1([NH3+])CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000842774104 595194512 /nfs/dbraw/zinc/19/45/12/595194512.db2.gz YGOORWHBRPBBGL-UHFFFAOYSA-N 1 0 333.797 1.750 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000842789000 595199531 /nfs/dbraw/zinc/19/95/31/595199531.db2.gz NZCYCASATQCOMC-UWVGGRQHSA-N 1 0 347.824 1.914 20 5 EDBDRO O=C(NCC12CCC[NH+]1CCC2)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000834753101 595203827 /nfs/dbraw/zinc/20/38/27/595203827.db2.gz YPEBCUKKPSEGIX-UHFFFAOYSA-N 1 0 347.400 1.958 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000842832743 595212178 /nfs/dbraw/zinc/21/21/78/595212178.db2.gz DWGQCFQTVWDUJC-KOLCDFICSA-N 1 0 347.824 1.833 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])cc([N+](=O)[O-])c1F ZINC000842859468 595217071 /nfs/dbraw/zinc/21/70/71/595217071.db2.gz HQZPTNVGWHYKDE-NSHDSACASA-N 1 0 345.396 1.934 20 5 EDBDRO CN(C1(C[NH3+])CCC1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842892576 595227561 /nfs/dbraw/zinc/22/75/61/595227561.db2.gz KNPVETPGBOQHCN-UHFFFAOYSA-N 1 0 333.797 1.750 20 5 EDBDRO CS(=O)(=O)CCOCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848534808 595403599 /nfs/dbraw/zinc/40/35/99/595403599.db2.gz VSOXEPPQBJFLAB-ZDUSSCGKSA-N 1 0 328.390 1.233 20 5 EDBDRO CC[NH+](CC)CCS(=O)(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000849417470 595523831 /nfs/dbraw/zinc/52/38/31/595523831.db2.gz RODCJHXUFUIGQA-UHFFFAOYSA-N 1 0 347.349 1.553 20 5 EDBDRO O=C([C@H]1[NH2+]CC12CCCC2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000852774255 595537574 /nfs/dbraw/zinc/53/75/74/595537574.db2.gz RIRLTZALGSZVQG-MRXNPFEDSA-N 1 0 344.415 1.776 20 5 EDBDRO [NH3+]C1(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCC1 ZINC000850590665 595541394 /nfs/dbraw/zinc/54/13/94/595541394.db2.gz SZDCWZFEWRMGQV-UHFFFAOYSA-N 1 0 333.797 1.798 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000852806989 595551586 /nfs/dbraw/zinc/55/15/86/595551586.db2.gz NGRSVJGSUWUYKH-YPMHNXCESA-N 1 0 327.768 1.570 20 5 EDBDRO [NH3+]C[C@H]1CCCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000857764034 595599875 /nfs/dbraw/zinc/59/98/75/595599875.db2.gz FIJXHHZOYUAPNV-SNVBAGLBSA-N 1 0 329.303 1.764 20 5 EDBDRO O=C(NCC12CC(C1)C[NH2+]2)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857767566 595601654 /nfs/dbraw/zinc/60/16/54/595601654.db2.gz GBIXZDYIMFNHRA-UHFFFAOYSA-N 1 0 327.287 1.435 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1 ZINC000853115991 595669404 /nfs/dbraw/zinc/66/94/04/595669404.db2.gz OEURVDNWZKOICD-IAGOWNOFSA-N 1 0 335.404 1.471 20 5 EDBDRO CC(C)[C@@H]1CN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000856490244 596005050 /nfs/dbraw/zinc/00/50/50/596005050.db2.gz YQIOTVRLFZZVFD-NSHDSACASA-N 1 0 335.389 1.670 20 5 EDBDRO CC(C)(CCC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)[N+](=O)[O-] ZINC000854331545 596037757 /nfs/dbraw/zinc/03/77/57/596037757.db2.gz UOLMQNQPGNDNIH-AWEZNQCLSA-N 1 0 327.425 1.535 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861708347 596075341 /nfs/dbraw/zinc/07/53/41/596075341.db2.gz DLXSPTAKISPFQZ-RYUDHWBXSA-N 1 0 339.779 1.529 20 5 EDBDRO C[NH+]1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000859745793 596182307 /nfs/dbraw/zinc/18/23/07/596182307.db2.gz SAUGVJPXVUUTKY-UHFFFAOYSA-N 1 0 343.383 1.935 20 5 EDBDRO O=C(N1CCC[C@@H]2[NH2+]CC[C@H]21)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000864620894 596286788 /nfs/dbraw/zinc/28/67/88/596286788.db2.gz RAYNOFRCLYGMLG-QWHCGFSZSA-N 1 0 341.314 1.919 20 5 EDBDRO CC1(C)CC[NH2+]CCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000866698891 596298960 /nfs/dbraw/zinc/29/89/60/596298960.db2.gz CSTPLBICJPUNRJ-UHFFFAOYSA-N 1 0 348.403 1.967 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c1C ZINC000866828338 596369416 /nfs/dbraw/zinc/36/94/16/596369416.db2.gz WDKXITBEVLWSJP-STQMWFEESA-N 1 0 339.417 1.727 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@](C)(N)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000870983938 596429430 /nfs/dbraw/zinc/42/94/30/596429430.db2.gz ZNYWWGSEGYUDSQ-ISTRZQFTSA-N 1 0 332.404 1.321 20 5 EDBDRO CN1CC[NH+](CCCCNc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865442961 596576064 /nfs/dbraw/zinc/57/60/64/596576064.db2.gz RMPIHASGSAANHO-UHFFFAOYSA-N 1 0 340.399 1.666 20 5 EDBDRO COCC[NH+]1CCC(Nc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865467113 596584067 /nfs/dbraw/zinc/58/40/67/596584067.db2.gz SSGHJIGACWYPCZ-UHFFFAOYSA-N 1 0 327.356 1.749 20 5 EDBDRO COC(=O)C1=CC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000863572284 596622772 /nfs/dbraw/zinc/62/27/72/596622772.db2.gz MUHSWIXVIIKJQO-STQMWFEESA-N 1 0 336.344 1.186 20 5 EDBDRO O=C1OC[C@]2(C[NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)COCCN12 ZINC000865769341 596675842 /nfs/dbraw/zinc/67/58/42/596675842.db2.gz IITRZLNSISLIHS-AWEZNQCLSA-N 1 0 341.751 1.559 20 5 EDBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000863834741 596701605 /nfs/dbraw/zinc/70/16/05/596701605.db2.gz MAGJTQNMLHRGPW-AWEZNQCLSA-N 1 0 329.356 1.544 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119891260 596779533 /nfs/dbraw/zinc/77/95/33/596779533.db2.gz KNUMJJSKLSLZTC-SNVBAGLBSA-N 1 0 333.435 1.619 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872152335 596813996 /nfs/dbraw/zinc/81/39/96/596813996.db2.gz PJMQCFSPZOHNCH-YVEFUNNKSA-N 1 0 348.403 1.473 20 5 EDBDRO O=C(CC[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)Nc1ccccc1[N+](=O)[O-] ZINC000872219399 596840365 /nfs/dbraw/zinc/84/03/65/596840365.db2.gz FDHGMIRHISEGHH-NDQFFAJQSA-N 1 0 331.372 1.936 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000874363049 597033844 /nfs/dbraw/zinc/03/38/44/597033844.db2.gz KCYUOSLAHQGSIO-UONOGXRCSA-N 1 0 346.387 1.537 20 5 EDBDRO COC(=O)COc1ccc(CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000873228792 597235387 /nfs/dbraw/zinc/23/53/87/597235387.db2.gz JKEXQVUVLHIDOX-SUMWQHHRSA-N 1 0 349.387 1.188 20 5 EDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000877110288 597434693 /nfs/dbraw/zinc/43/46/93/597434693.db2.gz PDKNXAQALJIFLE-IMTBSYHQSA-N 1 0 346.156 1.977 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877169350 597450233 /nfs/dbraw/zinc/45/02/33/597450233.db2.gz LUIDWFRZBGDSSL-BETUJISGSA-N 1 0 346.387 1.008 20 5 EDBDRO [NH3+][C@H]1C[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000877244393 597477211 /nfs/dbraw/zinc/47/72/11/597477211.db2.gz UHJHAXOVFARGIL-CZMCAQCFSA-N 1 0 342.193 1.753 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877285861 597486827 /nfs/dbraw/zinc/48/68/27/597486827.db2.gz ZCLDZRYCAQUDMR-UONOGXRCSA-N 1 0 329.360 1.297 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@]3(CO)CCc4ccccc43)C2)c1 ZINC000877610013 597541276 /nfs/dbraw/zinc/54/12/76/597541276.db2.gz QETJDABNELPEFX-JMLCCBQJSA-N 1 0 342.399 1.961 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@@H]21 ZINC000877744427 597552362 /nfs/dbraw/zinc/55/23/62/597552362.db2.gz STTFCSPIXVKYGP-WBMJQRKESA-N 1 0 333.388 1.987 20 5 EDBDRO C=C/C=C/CC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000878722050 597690377 /nfs/dbraw/zinc/69/03/77/597690377.db2.gz OQUXQLWAUCKFQT-SNAWJCMRSA-N 1 0 339.417 1.937 20 5 EDBDRO CC(C)(O)[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000880146714 597856908 /nfs/dbraw/zinc/85/69/08/597856908.db2.gz PHYRFZIVXOIBCH-ZDUSSCGKSA-N 1 0 333.388 1.577 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H]([NH2+]C3CCOCC3)C2)c1 ZINC000880203484 597872469 /nfs/dbraw/zinc/87/24/69/597872469.db2.gz KERDJFIKGZGAHX-WMZOPIPTSA-N 1 0 349.431 1.861 20 5 EDBDRO O=C1NCC[C@H]2CCC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)[C@@H]12 ZINC000880525447 597954615 /nfs/dbraw/zinc/95/46/15/597954615.db2.gz HENSBINDIUBENQ-CZUORRHYSA-N 1 0 333.388 1.964 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c(-c2nn[nH]n2)c1 ZINC000738370913 598422706 /nfs/dbraw/zinc/42/27/06/598422706.db2.gz SIECMSSGSRSUFL-LBPRGKRZSA-N 1 0 329.364 1.449 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000738367957 598597359 /nfs/dbraw/zinc/59/73/59/598597359.db2.gz XRMBJQGRHKUQPD-UHFFFAOYSA-N 1 0 340.343 1.944 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000915283060 695780701 /nfs/dbraw/zinc/78/07/01/695780701.db2.gz DLHWDVPIODWZJU-UHFFFAOYSA-N 1 0 349.391 1.029 20 5 EDBDRO C[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000917416072 697014924 /nfs/dbraw/zinc/01/49/24/697014924.db2.gz SNMVPJHWEHHWMG-HOCLYGCPSA-N 1 0 337.420 1.799 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000917654457 697059281 /nfs/dbraw/zinc/05/92/81/697059281.db2.gz HCRQPWHWLKUUAE-CHWSQXEVSA-N 1 0 339.417 1.808 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000922557206 703984154 /nfs/dbraw/zinc/98/41/54/703984154.db2.gz IYFPCYOCGNWBLB-YPMHNXCESA-N 1 0 337.376 1.329 20 5 EDBDRO CCO[C@H](CNCc1cc(OC)c(O)cc1[N+](=O)[O-])C[NH+](C)C ZINC000922756146 704316285 /nfs/dbraw/zinc/31/62/85/704316285.db2.gz GKPMEGCLRFPHNE-GFCCVEGCSA-N 1 0 327.381 1.365 20 5 EDBDRO O=C(NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1cnon1 ZINC001001959425 708474032 /nfs/dbraw/zinc/47/40/32/708474032.db2.gz QMMPBCDRHLUBOQ-UHFFFAOYSA-N 1 0 345.359 1.620 20 5 EDBDRO O=C(NC1CC[NH+](CCOc2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002789198 709383737 /nfs/dbraw/zinc/38/37/37/709383737.db2.gz SGTOLESYQMJHLL-HZPDHXFCSA-N 1 0 333.388 1.311 20 5 EDBDRO C[N@@H+]1CC[C@](O)(CNc2cccc(Br)c2[N+](=O)[O-])C1 ZINC000702624010 709688680 /nfs/dbraw/zinc/68/86/80/709688680.db2.gz IVBCZIKDFNYYEX-LBPRGKRZSA-N 1 0 330.182 1.836 20 5 EDBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1cnco1 ZINC001003398530 710314018 /nfs/dbraw/zinc/31/40/18/710314018.db2.gz HBFLSIXHBCBGJS-UHFFFAOYSA-N 1 0 330.344 1.977 20 5 EDBDRO CN(CC[NH+](C)C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000081865280 282089006 /nfs/dbraw/zinc/08/90/06/282089006.db2.gz VPZQIVVLYLGBPD-UHFFFAOYSA-N 1 0 334.420 1.831 20 5 EDBDRO CCc1n[nH]c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000171397217 529467537 /nfs/dbraw/zinc/46/75/37/529467537.db2.gz FVIMNXBCMWQGGB-ZDUSSCGKSA-N 1 0 331.376 1.913 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000175084093 231381501 /nfs/dbraw/zinc/38/15/01/231381501.db2.gz DBEWKRWFYPCNHM-ZJUUUORDSA-N 1 0 333.435 1.807 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2c3ccccc3CC[C@H]2[NH+](C)C)n1 ZINC000365022153 282227481 /nfs/dbraw/zinc/22/74/81/282227481.db2.gz VSYHQNWCDZCNLO-UKRRQHHQSA-N 1 0 343.387 1.676 20 5 EDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171447148 529785870 /nfs/dbraw/zinc/78/58/70/529785870.db2.gz RCSNCNWUSNLXES-AWEZNQCLSA-N 1 0 332.404 1.971 20 5 EDBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174724838 530004491 /nfs/dbraw/zinc/00/44/91/530004491.db2.gz XWRBJNAJMSSOOD-ZDUSSCGKSA-N 1 0 335.320 1.192 20 5 EDBDRO CNS(=O)(=O)c1ccc(N2CCc3c[nH+]ccc32)c([N+](=O)[O-])c1 ZINC000175006597 530030796 /nfs/dbraw/zinc/03/07/96/530030796.db2.gz JVZIDIAICBUSTH-UHFFFAOYSA-N 1 0 334.357 1.592 20 5 EDBDRO CCC[NH+](CCC)CCCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000102758481 219228286 /nfs/dbraw/zinc/22/82/86/219228286.db2.gz UOBUSTQPTSIBOZ-UHFFFAOYSA-N 1 0 325.413 1.879 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000103162437 219264309 /nfs/dbraw/zinc/26/43/09/219264309.db2.gz BNBLJKZMFJLJFP-UHFFFAOYSA-N 1 0 327.406 1.620 20 5 EDBDRO CO[C@@](C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000562998469 306315236 /nfs/dbraw/zinc/31/52/36/306315236.db2.gz JFHMGWHWOXNVSD-HOTGVXAUSA-N 1 0 334.376 1.304 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107629431 138304579 /nfs/dbraw/zinc/30/45/79/138304579.db2.gz IUQCANAZRWBVSY-OAHLLOKOSA-N 1 0 349.435 1.967 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000109840159 138306569 /nfs/dbraw/zinc/30/65/69/138306569.db2.gz YNEAYIVXICQCHG-LLVKDONJSA-N 1 0 343.405 1.318 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[NH+](C)C ZINC000125485751 138334230 /nfs/dbraw/zinc/33/42/30/138334230.db2.gz MDQWKEHSVLCXFV-UHFFFAOYSA-N 1 0 335.813 1.739 20 5 EDBDRO COc1ccc(CC(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000563616225 306342165 /nfs/dbraw/zinc/34/21/65/306342165.db2.gz TWPFQVRLQRVARE-BZPMIXESSA-N 1 0 335.404 1.978 20 5 EDBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@@H]12 ZINC000186920092 236064099 /nfs/dbraw/zinc/06/40/99/236064099.db2.gz WBKYVBCBZRQRKF-HONMWMINSA-N 1 0 326.356 1.952 20 5 EDBDRO O=c1c2c(ncn1Cc1ccc([N+](=O)[O-])cc1Cl)CC[NH2+]CC2 ZINC000564925335 306369893 /nfs/dbraw/zinc/36/98/93/306369893.db2.gz ALYSTISVYQYJDH-UHFFFAOYSA-N 1 0 334.763 1.541 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000131230319 223215204 /nfs/dbraw/zinc/21/52/04/223215204.db2.gz LXTDXFGPESAEQU-ZDUSSCGKSA-N 1 0 327.406 1.451 20 5 EDBDRO Cc1c([C@H](C)[NH2+]CCCCn2cc(C(N)=O)nn2)cccc1[N+](=O)[O-] ZINC000414353439 304110288 /nfs/dbraw/zinc/11/02/88/304110288.db2.gz RYQQJQXVEDYOCR-LBPRGKRZSA-N 1 0 346.391 1.725 20 5 EDBDRO CC1CCN(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000566615152 306421883 /nfs/dbraw/zinc/42/18/83/306421883.db2.gz HJLPAEBZJPFBHQ-OAHLLOKOSA-N 1 0 337.420 1.656 20 5 EDBDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000192850472 138955259 /nfs/dbraw/zinc/95/52/59/138955259.db2.gz BNKXJMKFNUHUTO-UHFFFAOYSA-N 1 0 329.422 1.602 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195220621 139010517 /nfs/dbraw/zinc/01/05/17/139010517.db2.gz OBXVRCQCZNMQLS-BETUJISGSA-N 1 0 330.388 1.486 20 5 EDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000567261806 306444752 /nfs/dbraw/zinc/44/47/52/306444752.db2.gz ONIHHFCAVQRPJM-OLZOCXBDSA-N 1 0 348.403 1.241 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCC([NH3+])CC1 ZINC000236982616 139037121 /nfs/dbraw/zinc/03/71/21/139037121.db2.gz IMIDOAPQVMDUER-UHFFFAOYSA-N 1 0 327.406 1.705 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2(C[NH3+])CCCC2)c1C ZINC000237667620 139057652 /nfs/dbraw/zinc/05/76/52/139057652.db2.gz JKAPKJBKNOAFJY-UHFFFAOYSA-N 1 0 327.406 1.761 20 5 EDBDRO Cn1cc(C[NH2+]CC(=O)NC(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237779851 139060047 /nfs/dbraw/zinc/06/00/47/139060047.db2.gz OQTTYAMDXAXTNP-UHFFFAOYSA-N 1 0 345.403 2.000 20 5 EDBDRO [NH3+]CC1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000237822058 139061319 /nfs/dbraw/zinc/06/13/19/139061319.db2.gz IWDCUVVTSPRLGB-UHFFFAOYSA-N 1 0 329.360 1.591 20 5 EDBDRO [NH3+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000238025201 139066887 /nfs/dbraw/zinc/06/68/87/139066887.db2.gz SLQSZLKLHQBDBV-NSHDSACASA-N 1 0 328.166 1.824 20 5 EDBDRO C[C@@H](CCO)[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245547348 139078859 /nfs/dbraw/zinc/07/88/59/139078859.db2.gz XMWUECJXNWOFQH-WMLDXEAASA-N 1 0 348.403 1.425 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000245538503 139078398 /nfs/dbraw/zinc/07/83/98/139078398.db2.gz ZDTMIZHSUJPTKY-ZYHUDNBSSA-N 1 0 335.360 1.736 20 5 EDBDRO CC[NH+](CC)CCCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000182603431 284603076 /nfs/dbraw/zinc/60/30/76/284603076.db2.gz RWURUEWWNCMWJI-MRXNPFEDSA-N 1 0 348.403 1.936 20 5 EDBDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000415384960 304210846 /nfs/dbraw/zinc/21/08/46/304210846.db2.gz ZNANAKBZQGNXMH-GFCCVEGCSA-N 1 0 334.376 1.361 20 5 EDBDRO Cc1c(NC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000415415431 304217878 /nfs/dbraw/zinc/21/78/78/304217878.db2.gz QRPRXXAYMUPSTH-LBPRGKRZSA-N 1 0 334.376 1.348 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000249438951 139193346 /nfs/dbraw/zinc/19/33/46/139193346.db2.gz FJJYLQHKHQKTJK-QWHCGFSZSA-N 1 0 341.433 1.960 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000261622407 139211982 /nfs/dbraw/zinc/21/19/82/139211982.db2.gz CHMBEZXYJPZWOX-MNOVXSKESA-N 1 0 343.405 1.209 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261627371 139212518 /nfs/dbraw/zinc/21/25/18/139212518.db2.gz BPWGSAXMBQNQTJ-MNOVXSKESA-N 1 0 341.389 1.118 20 5 EDBDRO O=C(NC[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1)[C@H]1CCC[NH2+]1 ZINC000261636377 139213132 /nfs/dbraw/zinc/21/31/32/139213132.db2.gz HWLKEZAUPUTBJZ-TZMCWYRMSA-N 1 0 333.392 1.074 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000261727230 139221024 /nfs/dbraw/zinc/22/10/24/139221024.db2.gz RJRZIHSLHWOYGZ-WDEREUQCSA-N 1 0 335.360 1.294 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000261727223 139221030 /nfs/dbraw/zinc/22/10/30/139221030.db2.gz RJRZIHSLHWOYGZ-MNOVXSKESA-N 1 0 335.360 1.294 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000261760599 139223902 /nfs/dbraw/zinc/22/39/02/139223902.db2.gz VUMJZXKPFVEGNY-PWSUYJOCSA-N 1 0 335.360 1.436 20 5 EDBDRO COC(=O)COc1ccc(CN2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000261795959 139226668 /nfs/dbraw/zinc/22/66/68/139226668.db2.gz GNUMERHJTQSZEQ-YPMHNXCESA-N 1 0 337.376 1.316 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261774355 139224944 /nfs/dbraw/zinc/22/49/44/139224944.db2.gz RCVCAZNOVHOYQA-QWRGUYRKSA-N 1 0 343.405 1.351 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000261964485 139240331 /nfs/dbraw/zinc/24/03/31/139240331.db2.gz PDEWVFXJUJSCLV-GXFFZTMASA-N 1 0 327.406 1.651 20 5 EDBDRO [NH3+][C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1CC1 ZINC000261979167 139241378 /nfs/dbraw/zinc/24/13/78/139241378.db2.gz WAEJPIPZDURTDK-SECBINFHSA-N 1 0 346.156 1.964 20 5 EDBDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000262075193 139248858 /nfs/dbraw/zinc/24/88/58/139248858.db2.gz SLILUXHCQOWISW-NBUZRDOWSA-N 1 0 327.388 1.988 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000415560353 251012851 /nfs/dbraw/zinc/01/28/51/251012851.db2.gz LLGRMDPQEIMWOI-GHMZBOCLSA-N 1 0 334.376 1.305 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000415571645 304228618 /nfs/dbraw/zinc/22/86/18/304228618.db2.gz MWASJJVGJOFONF-JQWIXIFHSA-N 1 0 334.376 1.291 20 5 EDBDRO Cc1ccc(OCCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000569351192 306504846 /nfs/dbraw/zinc/50/48/46/306504846.db2.gz SNFASFWVKOGJHA-HNNXBMFYSA-N 1 0 334.376 1.519 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000417757811 251258356 /nfs/dbraw/zinc/25/83/56/251258356.db2.gz BQLICPNIGDCRQV-QLFBSQMISA-N 1 0 332.404 1.906 20 5 EDBDRO C[C@@H](CCC[NH3+])NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418685480 251386756 /nfs/dbraw/zinc/38/67/56/251386756.db2.gz DPAHNMNCYQGIJG-ZDUSSCGKSA-N 1 0 335.408 1.554 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262594647 139288994 /nfs/dbraw/zinc/28/89/94/139288994.db2.gz WSXYFQXNDRIGKI-LLVKDONJSA-N 1 0 336.392 1.156 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000415590155 304234291 /nfs/dbraw/zinc/23/42/91/304234291.db2.gz GMDXLYQWXBYBKP-INIZCTEOSA-N 1 0 332.360 1.054 20 5 EDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000153013085 224045708 /nfs/dbraw/zinc/04/57/08/224045708.db2.gz NNUSMUVGVRWWFV-KRWDZBQOSA-N 1 0 337.420 1.935 20 5 EDBDRO C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000153132171 224062429 /nfs/dbraw/zinc/06/24/29/224062429.db2.gz HZKOINCTQOMSDJ-LLVKDONJSA-N 1 0 327.406 1.497 20 5 EDBDRO Cn1cc([C@@H]2CN(c3ccc([N+](=O)[O-])c4cnccc43)C[C@H]2[NH3+])cn1 ZINC000424411670 252218475 /nfs/dbraw/zinc/21/84/75/252218475.db2.gz LKNWKXRNOTUTRR-LSDHHAIUSA-N 1 0 338.371 1.808 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415679600 304254822 /nfs/dbraw/zinc/25/48/22/304254822.db2.gz PHKOWCSYZSJZNY-KWQFWETISA-N 1 0 340.767 1.443 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000415695930 304257918 /nfs/dbraw/zinc/25/79/18/304257918.db2.gz YKDQXNGWYYVNJR-LBPRGKRZSA-N 1 0 348.403 1.683 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1[N+](=O)[O-] ZINC000474361242 255019594 /nfs/dbraw/zinc/01/95/94/255019594.db2.gz HXWXPENBSFUORC-BZPMIXESSA-N 1 0 336.344 1.556 20 5 EDBDRO CC(C)[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000488014226 255041238 /nfs/dbraw/zinc/04/12/38/255041238.db2.gz YIGPHWCDALBZJX-RDJZCZTQSA-N 1 0 337.420 1.607 20 5 EDBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000494226692 255242675 /nfs/dbraw/zinc/24/26/75/255242675.db2.gz JLEOGDSOEYPNNT-SMDDNHRTSA-N 1 0 328.390 1.526 20 5 EDBDRO CNC(=O)[C@@H]1CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117336455 221055165 /nfs/dbraw/zinc/05/51/65/221055165.db2.gz MFXLRVMXQBMSQC-LBPRGKRZSA-N 1 0 348.359 1.103 20 5 EDBDRO COC[C@@H](O)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000117946358 221102144 /nfs/dbraw/zinc/10/21/44/221102144.db2.gz AXFZIOJJNQFNSD-NSHDSACASA-N 1 0 336.344 1.960 20 5 EDBDRO COc1ccc(CCC[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174748098 533469989 /nfs/dbraw/zinc/46/99/89/533469989.db2.gz LYZZKPNXEKWKJY-MRXNPFEDSA-N 1 0 348.403 1.725 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)cc1C ZINC000268760626 291991929 /nfs/dbraw/zinc/99/19/29/291991929.db2.gz FNTLJDIZXJCOCA-CYBMUJFWSA-N 1 0 341.433 1.926 20 5 EDBDRO COc1ccc(CC[C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000571276892 306560610 /nfs/dbraw/zinc/56/06/10/306560610.db2.gz AWTSVSVJVPYYPX-BBRMVZONSA-N 1 0 348.403 1.772 20 5 EDBDRO CCc1ccc(S(=O)(=O)NCCOCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000571280756 306560839 /nfs/dbraw/zinc/56/08/39/306560839.db2.gz RGNIRRTWSINQDA-UHFFFAOYSA-N 1 0 345.421 1.014 20 5 EDBDRO C[N@H+](CCCO)C1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000270356063 140085044 /nfs/dbraw/zinc/08/50/44/140085044.db2.gz HPTGVTFUCGSHIX-UHFFFAOYSA-N 1 0 339.367 1.653 20 5 EDBDRO CCCc1n[nH]c(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000270544586 140121015 /nfs/dbraw/zinc/12/10/15/140121015.db2.gz YJRUUDKFZYKISD-WDEREUQCSA-N 1 0 341.437 1.388 20 5 EDBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000270755860 140162709 /nfs/dbraw/zinc/16/27/09/140162709.db2.gz DICBFEKGHRPQAT-LLVKDONJSA-N 1 0 326.784 1.224 20 5 EDBDRO C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000270830311 140178413 /nfs/dbraw/zinc/17/84/13/140178413.db2.gz SVHQYYHIHHKQOO-NSHDSACASA-N 1 0 340.811 1.614 20 5 EDBDRO C[C@@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000271306004 140274735 /nfs/dbraw/zinc/27/47/35/140274735.db2.gz KECGBDHFHDNKLI-QMMMGPOBSA-N 1 0 335.389 1.812 20 5 EDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)CC(=O)N2C ZINC000271432581 140295193 /nfs/dbraw/zinc/29/51/93/140295193.db2.gz BEIBYZACWMTXTQ-NSHDSACASA-N 1 0 329.360 1.661 20 5 EDBDRO CCOc1ccccc1[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000271740244 140342048 /nfs/dbraw/zinc/34/20/48/140342048.db2.gz ILNWMBPLXZNHQX-JSGCOSHPSA-N 1 0 334.376 1.902 20 5 EDBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000272049409 140392543 /nfs/dbraw/zinc/39/25/43/140392543.db2.gz QCQZAKZOVCTBPN-BBRMVZONSA-N 1 0 337.376 1.468 20 5 EDBDRO C[NH+](C)C1(CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000416301319 304306216 /nfs/dbraw/zinc/30/62/16/304306216.db2.gz KUCQPKGCQHDSRA-UHFFFAOYSA-N 1 0 335.360 1.119 20 5 EDBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H]1[NH+]1CCCC1 ZINC000331559417 141048088 /nfs/dbraw/zinc/04/80/88/141048088.db2.gz KECAJPMHUVIKLL-CHWSQXEVSA-N 1 0 338.433 1.585 20 5 EDBDRO C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C[N@@H+]1C ZINC000332241960 141145890 /nfs/dbraw/zinc/14/58/90/141145890.db2.gz JJNVQLAZICIUGS-OLZOCXBDSA-N 1 0 332.404 1.508 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3OC)[C@H]2C1 ZINC000339385971 142033275 /nfs/dbraw/zinc/03/32/75/142033275.db2.gz SQZJCPHNKZFPLP-HOTGVXAUSA-N 1 0 335.404 1.898 20 5 EDBDRO C[NH+](C)CCn1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1=O ZINC000339534260 142069208 /nfs/dbraw/zinc/06/92/08/142069208.db2.gz SUIMMDZASHIMOM-UHFFFAOYSA-N 1 0 330.344 1.570 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](C3CC3)[C@]3(CO)CCCO3)nc2c1 ZINC000339756678 142146497 /nfs/dbraw/zinc/14/64/97/142146497.db2.gz DMRRUVIOWZSBHZ-DLBZAZTESA-N 1 0 346.387 1.881 20 5 EDBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346205707 143178737 /nfs/dbraw/zinc/17/87/37/143178737.db2.gz VHNWLWXIKLGVCZ-DMDPSCGWSA-N 1 0 334.376 1.498 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C(N)=O ZINC000346639511 143225046 /nfs/dbraw/zinc/22/50/46/143225046.db2.gz DMQTZYSNNVTCDI-YGRLFVJLSA-N 1 0 330.344 1.803 20 5 EDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[N@H+](C)C1 ZINC000346787228 143245790 /nfs/dbraw/zinc/24/57/90/143245790.db2.gz GPHYYXZQBKVMPJ-KBPBESRZSA-N 1 0 340.355 1.917 20 5 EDBDRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000347234663 143298291 /nfs/dbraw/zinc/29/82/91/143298291.db2.gz ZUFSPVDRQOTLRM-SMDDNHRTSA-N 1 0 335.360 1.807 20 5 EDBDRO CC[C@@H](CO)[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000347352169 143312061 /nfs/dbraw/zinc/31/20/61/143312061.db2.gz SDXMPYNKOXIDOO-RDJZCZTQSA-N 1 0 348.403 1.425 20 5 EDBDRO COC[C@](C)([NH3+])CNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000347426282 143319548 /nfs/dbraw/zinc/31/95/48/143319548.db2.gz WHPWCQPCXOXGCU-LLVKDONJSA-N 1 0 333.186 1.836 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000573110579 306612196 /nfs/dbraw/zinc/61/21/96/306612196.db2.gz UEMCWRMGAQMBEF-MNOVXSKESA-N 1 0 333.344 1.333 20 5 EDBDRO Cc1c(C(=O)N[C@@H](C)CC[NH+](C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000264902280 149047825 /nfs/dbraw/zinc/04/78/25/149047825.db2.gz LSRYWYRNHHPZCX-NSHDSACASA-N 1 0 346.391 1.554 20 5 EDBDRO C[C@H]1CC[N@H+](C)CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000352874439 149198962 /nfs/dbraw/zinc/19/89/62/149198962.db2.gz VZBNMJGDZZQWNS-LBPRGKRZSA-N 1 0 327.406 1.451 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3c(N)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000355359744 150233480 /nfs/dbraw/zinc/23/34/80/150233480.db2.gz FKHSIWILNNDOHI-ZIAGYGMSSA-N 1 0 334.376 1.112 20 5 EDBDRO COC(=O)COc1ccc(CN2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000355737405 150380482 /nfs/dbraw/zinc/38/04/82/150380482.db2.gz XLCWQXRNIGRJKM-GFCCVEGCSA-N 1 0 337.376 1.283 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H](O)C1 ZINC000357572092 151071292 /nfs/dbraw/zinc/07/12/92/151071292.db2.gz PZOFJJVSWBJXJA-SMDDNHRTSA-N 1 0 337.376 1.635 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2c(F)cccc2Cl)c1 ZINC000573913696 306638185 /nfs/dbraw/zinc/63/81/85/306638185.db2.gz DUGPFVKOPVNGOQ-JTQLQIEISA-N 1 0 328.731 1.735 20 5 EDBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000360814772 152217137 /nfs/dbraw/zinc/21/71/37/152217137.db2.gz UQGXFOKMPDGTNZ-UHFFFAOYSA-N 1 0 347.379 1.434 20 5 EDBDRO C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000417160280 304378942 /nfs/dbraw/zinc/37/89/42/304378942.db2.gz PGNVWPJAZGNSBY-WDEREUQCSA-N 1 0 340.355 1.653 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000362713232 152790871 /nfs/dbraw/zinc/79/08/71/152790871.db2.gz ZBRGFPSMENLUAA-INIZCTEOSA-N 1 0 329.356 1.910 20 5 EDBDRO NS(=O)(=O)[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000363775206 153052738 /nfs/dbraw/zinc/05/27/38/153052738.db2.gz IPWFHYHJVXTZGQ-AWEZNQCLSA-N 1 0 343.405 1.117 20 5 EDBDRO NS(=O)(=O)c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000364085324 153141199 /nfs/dbraw/zinc/14/11/99/153141199.db2.gz HEFFONPSIGJVKG-GHMZBOCLSA-N 1 0 340.405 1.281 20 5 EDBDRO CCc1n[nH]c(C(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000370222701 155384764 /nfs/dbraw/zinc/38/47/64/155384764.db2.gz MWYWZLFQSIORMU-TZMCWYRMSA-N 1 0 343.387 1.708 20 5 EDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000364965191 153385235 /nfs/dbraw/zinc/38/52/35/153385235.db2.gz SSPCKVPOZNCHGG-LBPRGKRZSA-N 1 0 333.392 1.663 20 5 EDBDRO COc1cc(OCC(=O)N[C@H]2CC23CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000366554208 153852627 /nfs/dbraw/zinc/85/26/27/153852627.db2.gz JOLLNDHOOZATQX-AWEZNQCLSA-N 1 0 335.360 1.241 20 5 EDBDRO C[N@H+](C[C@@H]1CC12CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])CC2)C1CC1 ZINC000367296398 154069416 /nfs/dbraw/zinc/06/94/16/154069416.db2.gz QBVMZWWMTLJROI-NSHDSACASA-N 1 0 333.392 1.654 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000367694050 154232305 /nfs/dbraw/zinc/23/23/05/154232305.db2.gz BAFOCCIWPUMKMP-GDBMZVCRSA-N 1 0 332.404 1.873 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000368086329 154403437 /nfs/dbraw/zinc/40/34/37/154403437.db2.gz WRSDGMJEMCWAAI-TZMCWYRMSA-N 1 0 346.387 1.300 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCO[C@H]3CCC[C@H]32)c1 ZINC000369473875 155048798 /nfs/dbraw/zinc/04/87/98/155048798.db2.gz UIKVRCKYZMSUKY-OIISXLGYSA-N 1 0 336.388 1.978 20 5 EDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)CCN1C1CC[NH+](C)CC1 ZINC000373873286 157043491 /nfs/dbraw/zinc/04/34/91/157043491.db2.gz VTJGGEDMEXSQNS-LLVKDONJSA-N 1 0 325.438 1.656 20 5 EDBDRO C[C@@H]1C[N@H+](C[C@@H]2CN(C)CCO2)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000374152899 157166650 /nfs/dbraw/zinc/16/66/50/157166650.db2.gz CLJWQONKFXCOJE-PBHICJAKSA-N 1 0 334.420 1.436 20 5 EDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000374411002 157280899 /nfs/dbraw/zinc/28/08/99/157280899.db2.gz JRJIEHZLAHRQSE-YOGCLGLASA-N 1 0 337.351 1.984 20 5 EDBDRO CN(CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000374619564 157346482 /nfs/dbraw/zinc/34/64/82/157346482.db2.gz KEQCWLFPHJLOGD-QGZVFWFLSA-N 1 0 347.415 1.707 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CC(Cc3ccc(F)cc3)C2)c1 ZINC000375851137 157673960 /nfs/dbraw/zinc/67/39/60/157673960.db2.gz UCOUYWIQKWRHHQ-MRXNPFEDSA-N 1 0 334.351 1.466 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000378450305 158177699 /nfs/dbraw/zinc/17/76/99/158177699.db2.gz OWFHKSAMLDCPLI-IUODEOHRSA-N 1 0 346.387 1.394 20 5 EDBDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C[C@H](C)O ZINC000352186863 162038150 /nfs/dbraw/zinc/03/81/50/162038150.db2.gz OJPSTHQFSVDTCM-NSHDSACASA-N 1 0 325.365 1.635 20 5 EDBDRO COc1ccc(NC(=O)CN2CCCC[C@@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000352510981 162222016 /nfs/dbraw/zinc/22/20/16/162222016.db2.gz PTKWQNPDIZLZSM-GFCCVEGCSA-N 1 0 336.392 1.745 20 5 EDBDRO Cc1c(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000365185038 162353658 /nfs/dbraw/zinc/35/36/58/162353658.db2.gz MLJVCIPTJNZGOY-QWHCGFSZSA-N 1 0 334.376 1.888 20 5 EDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418082532 304455870 /nfs/dbraw/zinc/45/58/70/304455870.db2.gz JIMLKCGPJOTFFU-KOLCDFICSA-N 1 0 332.364 1.398 20 5 EDBDRO C[NH+](C)C[C@@H]1CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000116795515 287346950 /nfs/dbraw/zinc/34/69/50/287346950.db2.gz SOGRYMSIJJVJHC-YVARQFDVSA-N 1 0 337.351 1.536 20 5 EDBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000158973368 225120333 /nfs/dbraw/zinc/12/03/33/225120333.db2.gz RFDVDYQMMPYDCI-ZDUSSCGKSA-N 1 0 329.360 1.885 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000122551908 222111268 /nfs/dbraw/zinc/11/12/68/222111268.db2.gz AMOGAYSHSDMIAL-JTQLQIEISA-N 1 0 331.369 1.354 20 5 EDBDRO C[NH2+]CC1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000123804220 222334484 /nfs/dbraw/zinc/33/44/84/222334484.db2.gz HXIPUTYZWDMBTM-UHFFFAOYSA-N 1 0 331.369 1.354 20 5 EDBDRO [NH3+][C@@H](CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000418499305 304503898 /nfs/dbraw/zinc/50/38/98/304503898.db2.gz NPOJRHVZIIIMCZ-HNNXBMFYSA-N 1 0 333.392 1.164 20 5 EDBDRO COC(=O)[C@]1(C)CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273399169 268043303 /nfs/dbraw/zinc/04/33/03/268043303.db2.gz WBBOWRFZYZWGBW-BLLLJJGKSA-N 1 0 338.360 1.220 20 5 EDBDRO CNS(=O)(=O)c1ccc(NCC2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000275382703 268333726 /nfs/dbraw/zinc/33/37/26/268333726.db2.gz BMHQPELNANCZOH-UHFFFAOYSA-N 1 0 342.421 1.399 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000176985942 272939277 /nfs/dbraw/zinc/93/92/77/272939277.db2.gz UIBQLRJXCPYRGY-CQSZACIVSA-N 1 0 344.371 1.176 20 5 EDBDRO Cc1c(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000277435723 273197017 /nfs/dbraw/zinc/19/70/17/273197017.db2.gz GPPRKRYYPWOSAZ-QPUJVOFHSA-N 1 0 336.348 1.848 20 5 EDBDRO COC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCO1 ZINC000279110729 273280427 /nfs/dbraw/zinc/28/04/27/273280427.db2.gz SKLMRXJBAQIKGY-LSDHHAIUSA-N 1 0 337.376 1.625 20 5 EDBDRO C[NH+](C)CC1(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCC1 ZINC000281128856 273439567 /nfs/dbraw/zinc/43/95/67/273439567.db2.gz TVBKMHXWRBNGCE-UHFFFAOYSA-N 1 0 343.387 1.995 20 5 EDBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000283865628 273990021 /nfs/dbraw/zinc/99/00/21/273990021.db2.gz UTKDAKPIIIRSSX-CQSZACIVSA-N 1 0 333.388 1.956 20 5 EDBDRO CSC1(CNC(=O)Nc2ccncc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000353301721 274174171 /nfs/dbraw/zinc/17/41/71/274174171.db2.gz WQPNFWSQWUKDSA-UHFFFAOYSA-N 1 0 339.421 1.361 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@](O)(Cn3ccnn3)C2)cc1 ZINC000284539487 274238085 /nfs/dbraw/zinc/23/80/85/274238085.db2.gz KMSMSQACAIDZAY-MRXNPFEDSA-N 1 0 347.375 1.092 20 5 EDBDRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000184799124 274256518 /nfs/dbraw/zinc/25/65/18/274256518.db2.gz AGMBKNXXVSUMJP-DDTOSNHZSA-N 1 0 334.376 1.556 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000285422716 274537419 /nfs/dbraw/zinc/53/74/19/274537419.db2.gz GQZVYLMCQALGBG-UHFFFAOYSA-N 1 0 332.360 1.514 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000360810499 276846834 /nfs/dbraw/zinc/84/68/34/276846834.db2.gz CPMZCPKYDBIZEW-GFCCVEGCSA-N 1 0 329.360 1.461 20 5 EDBDRO C[NH+]1CCC(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000128664250 277024286 /nfs/dbraw/zinc/02/42/86/277024286.db2.gz HKNXSUJYMYKUDM-UHFFFAOYSA-N 1 0 332.404 1.585 20 5 EDBDRO C[NH2+]C[C@@H](C)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269208174 277273445 /nfs/dbraw/zinc/27/34/45/277273445.db2.gz NSLGJPIODQZYIG-SECBINFHSA-N 1 0 348.325 1.997 20 5 EDBDRO C[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000268877445 278271196 /nfs/dbraw/zinc/27/11/96/278271196.db2.gz DYMPYHUHMUKEHO-WCQYABFASA-N 1 0 327.406 1.669 20 5 EDBDRO C[C@@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000357883999 278325505 /nfs/dbraw/zinc/32/55/05/278325505.db2.gz YJUNJMPNRGKRLA-CYBMUJFWSA-N 1 0 347.419 1.956 20 5 EDBDRO C[C@@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000420326479 278551365 /nfs/dbraw/zinc/55/13/65/278551365.db2.gz CHVSWASPAXFEOK-OCCSQVGLSA-N 1 0 341.433 1.428 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000262776166 278798589 /nfs/dbraw/zinc/79/85/89/278798589.db2.gz NQDVOOWFRBNXOF-NWDGAFQWSA-N 1 0 327.406 1.630 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000105347747 278866073 /nfs/dbraw/zinc/86/60/73/278866073.db2.gz VZBPVPGKOSJHCG-UHFFFAOYSA-N 1 0 336.392 1.824 20 5 EDBDRO C[C@H](CN1CCOCC1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000091514443 279318121 /nfs/dbraw/zinc/31/81/21/279318121.db2.gz XENDNFMJNKZFGI-KGLIPLIRSA-N 1 0 335.408 1.197 20 5 EDBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261765912 280355279 /nfs/dbraw/zinc/35/52/79/280355279.db2.gz WHPHJKSMBOYUJC-ZDUSSCGKSA-N 1 0 327.388 1.627 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000268310168 280656047 /nfs/dbraw/zinc/65/60/47/280656047.db2.gz ZDDQTMIYLNNCCW-GXTWGEPZSA-N 1 0 341.433 1.782 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000288486699 288497603 /nfs/dbraw/zinc/49/76/03/288497603.db2.gz AGKXACZVIAEWOH-ZETCQYMHSA-N 1 0 333.373 1.702 20 5 EDBDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000288628951 288531259 /nfs/dbraw/zinc/53/12/59/288531259.db2.gz WKTVUWKKAWNCTD-GFCCVEGCSA-N 1 0 346.387 1.653 20 5 EDBDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000290200222 288857138 /nfs/dbraw/zinc/85/71/38/288857138.db2.gz PANLZJAEXUUCSI-SJORKVTESA-N 1 0 346.431 1.878 20 5 EDBDRO C[C@H]1[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000291756628 289172191 /nfs/dbraw/zinc/17/21/91/289172191.db2.gz KZNHNFZWAOVZMU-JSGCOSHPSA-N 1 0 343.387 1.721 20 5 EDBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000291860018 289198983 /nfs/dbraw/zinc/19/89/83/289198983.db2.gz KEZVELVFUSIPMD-GFCCVEGCSA-N 1 0 336.392 1.170 20 5 EDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@@H+](C2CCC2)C1 ZINC000292419185 289341964 /nfs/dbraw/zinc/34/19/64/289341964.db2.gz WGMRXVWXTGHDKL-NSHDSACASA-N 1 0 333.392 1.399 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000292456083 289352339 /nfs/dbraw/zinc/35/23/39/289352339.db2.gz LJGRDSOGJAAGMC-PWSUYJOCSA-N 1 0 334.332 1.635 20 5 EDBDRO C[C@@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000292581320 289387438 /nfs/dbraw/zinc/38/74/38/289387438.db2.gz JHXJFHKMIGKBCQ-LBPRGKRZSA-N 1 0 329.422 1.254 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000420440564 304758063 /nfs/dbraw/zinc/75/80/63/304758063.db2.gz UJARSKGZMDRMHI-ZYHUDNBSSA-N 1 0 327.406 1.630 20 5 EDBDRO C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420477386 304763598 /nfs/dbraw/zinc/76/35/98/304763598.db2.gz JMFNWYDWTISZOB-NXEZZACHSA-N 1 0 347.824 1.854 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261975678 302043458 /nfs/dbraw/zinc/04/34/58/302043458.db2.gz QPROZBPHIZVLKP-RYUDHWBXSA-N 1 0 327.406 1.651 20 5 EDBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000568628159 302489513 /nfs/dbraw/zinc/48/95/13/302489513.db2.gz NJMNSJYGVPUIAQ-NWDGAFQWSA-N 1 0 340.405 1.000 20 5 EDBDRO C[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1CCO ZINC000493420392 447326426 /nfs/dbraw/zinc/32/64/26/447326426.db2.gz NZXHYKPHJHKZGQ-WJDZFGBRSA-N 1 0 333.388 1.522 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000294764152 303144454 /nfs/dbraw/zinc/14/44/54/303144454.db2.gz FHUIEFBOASZGNW-GXTWGEPZSA-N 1 0 348.403 1.362 20 5 EDBDRO COc1c(C)cnc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000295184938 303185425 /nfs/dbraw/zinc/18/54/25/303185425.db2.gz QGJWNKYSPZRPPK-CQSZACIVSA-N 1 0 349.391 1.305 20 5 EDBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295395830 303213443 /nfs/dbraw/zinc/21/34/43/303213443.db2.gz YVSLSWYJLROEAG-LLVKDONJSA-N 1 0 326.784 1.224 20 5 EDBDRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000262368671 303386190 /nfs/dbraw/zinc/38/61/90/303386190.db2.gz XHIDPJWZKWGNII-JTQLQIEISA-N 1 0 331.369 1.626 20 5 EDBDRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000298017290 303487737 /nfs/dbraw/zinc/48/77/37/303487737.db2.gz ZTCOAQHKSFMIPW-UHFFFAOYSA-N 1 0 348.403 1.751 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000428127856 305007806 /nfs/dbraw/zinc/00/78/06/305007806.db2.gz HVNVYLRAVKYKPB-YPMHNXCESA-N 1 0 349.387 1.637 20 5 EDBDRO CC(C)([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000429263723 305027101 /nfs/dbraw/zinc/02/71/01/305027101.db2.gz YUKPGVIWMBZQEN-LBPRGKRZSA-N 1 0 341.433 1.701 20 5 EDBDRO O=C1[C@H]([NH2+][C@@H]2CCC[C@H]2CCO)CCN1c1cccc([N+](=O)[O-])c1 ZINC000429772782 305036705 /nfs/dbraw/zinc/03/67/05/305036705.db2.gz YAABBECFZOAQBP-APHBMKBZSA-N 1 0 333.388 1.841 20 5 EDBDRO C[NH2+]C1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000430936825 305069263 /nfs/dbraw/zinc/06/92/63/305069263.db2.gz XEQFIUKMEUDIIT-UHFFFAOYSA-N 1 0 334.376 1.577 20 5 EDBDRO COc1cc(S(=O)(=O)NC(C)(C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000431044522 305073723 /nfs/dbraw/zinc/07/37/23/305073723.db2.gz JFZCEXYELZQEBH-UHFFFAOYSA-N 1 0 331.394 1.399 20 5 EDBDRO CC1(C)CC([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000433159001 305101856 /nfs/dbraw/zinc/10/18/56/305101856.db2.gz CLAHSPRCXZXSAY-UHFFFAOYSA-N 1 0 327.406 1.651 20 5 EDBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000435042129 305135187 /nfs/dbraw/zinc/13/51/87/305135187.db2.gz LTUZPTVXLCLXFZ-SAYIFAPPSA-N 1 0 344.371 1.672 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NC[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000440857909 305213416 /nfs/dbraw/zinc/21/34/16/305213416.db2.gz KAZCDFVLDGMFBH-OAHLLOKOSA-N 1 0 341.433 1.880 20 5 EDBDRO COC(=O)[C@H](O)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000441265111 305219826 /nfs/dbraw/zinc/21/98/26/305219826.db2.gz LPFBDQRGMBNMIT-OAHLLOKOSA-N 1 0 338.360 1.220 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000442164183 305226593 /nfs/dbraw/zinc/22/65/93/305226593.db2.gz QXECWKQUCIAXQA-ZYHUDNBSSA-N 1 0 334.376 1.441 20 5 EDBDRO COc1cc(CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000444805831 305253428 /nfs/dbraw/zinc/25/34/28/305253428.db2.gz VUOQLOYRCPBMGF-ZDUSSCGKSA-N 1 0 337.420 1.880 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)c([N+](=O)[O-])c1 ZINC000447242683 305276072 /nfs/dbraw/zinc/27/60/72/305276072.db2.gz DAIHFLHWUXZYBR-LBPRGKRZSA-N 1 0 327.406 1.699 20 5 EDBDRO C[C@H](CN1CCCC1=O)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447543202 305281671 /nfs/dbraw/zinc/28/16/71/305281671.db2.gz LDBUIUZGGVGGEM-HZSPNIEDSA-N 1 0 335.408 1.876 20 5 EDBDRO C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)[C@H](C)[NH3+] ZINC000449585924 305314810 /nfs/dbraw/zinc/31/48/10/305314810.db2.gz GXWKRUFNTSCBAH-AEJSXWLSSA-N 1 0 340.405 1.113 20 5 EDBDRO Cc1nc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000450385952 305329610 /nfs/dbraw/zinc/32/96/10/305329610.db2.gz CXBPHXGXGFYQRY-AWEZNQCLSA-N 1 0 335.408 1.774 20 5 EDBDRO O=[N+]([O-])c1c(NC[C@@H]2CCC[N@H+]2CCCO)nc2sccn21 ZINC000450595654 305330263 /nfs/dbraw/zinc/33/02/63/305330263.db2.gz MGVNRWLADPUOHO-JTQLQIEISA-N 1 0 325.394 1.563 20 5 EDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1 ZINC000451301657 305337594 /nfs/dbraw/zinc/33/75/94/305337594.db2.gz OCAXKCNAHDKEOJ-FRFSOERESA-N 1 0 336.388 1.835 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451427533 305345651 /nfs/dbraw/zinc/34/56/51/305345651.db2.gz JMAYYBDJEZHOSF-IINYFYTJSA-N 1 0 332.303 1.036 20 5 EDBDRO COC(=O)CNC(=O)CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550091 305352870 /nfs/dbraw/zinc/35/28/70/305352870.db2.gz QVVKBNIPRAJMRQ-AWEZNQCLSA-N 1 0 349.387 1.454 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cn(C)cn1 ZINC000459653875 305522232 /nfs/dbraw/zinc/52/22/32/305522232.db2.gz DSDFXMLZCXWGRD-GFCCVEGCSA-N 1 0 331.376 1.878 20 5 EDBDRO CC[NH+]1CCN(CC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000488069358 305555848 /nfs/dbraw/zinc/55/58/48/305555848.db2.gz NDSVUUSSHNVCOI-AWEZNQCLSA-N 1 0 334.420 1.718 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[NH2+]C(C)(C)C ZINC000488608329 305560571 /nfs/dbraw/zinc/56/05/71/305560571.db2.gz JYKFCTYEXCDQJR-NSHDSACASA-N 1 0 340.428 1.332 20 5 EDBDRO C[C@H]1CC2(CN1S(=O)(=O)c1cccnc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000518755549 305763525 /nfs/dbraw/zinc/76/35/25/305763525.db2.gz GLKWYCCNPOGYCJ-NSHDSACASA-N 1 0 340.405 1.143 20 5 EDBDRO COc1cc(CCNC(=O)[C@@H]2C[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000449183637 447366082 /nfs/dbraw/zinc/36/60/82/447366082.db2.gz LCLSXPHFVHNNMX-ZYHUDNBSSA-N 1 0 337.376 1.126 20 5 EDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000544552757 306076227 /nfs/dbraw/zinc/07/62/27/306076227.db2.gz UTWBKZJECBCMCL-LLVKDONJSA-N 1 0 335.360 1.785 20 5 EDBDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000552111865 306175323 /nfs/dbraw/zinc/17/53/23/306175323.db2.gz OBZVQYPHJWEMGJ-WFASDCNBSA-N 1 0 342.417 1.919 20 5 EDBDRO CCCN(C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[NH2+]C1 ZINC000419757511 447397255 /nfs/dbraw/zinc/39/72/55/447397255.db2.gz IWAVCOJVQBBPIQ-CQSZACIVSA-N 1 0 348.403 1.120 20 5 EDBDRO COC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000449918679 447411444 /nfs/dbraw/zinc/41/14/44/447411444.db2.gz JKJVXBFJSQRVLJ-GFCCVEGCSA-N 1 0 330.344 1.889 20 5 EDBDRO CCCN(C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000415395174 447415324 /nfs/dbraw/zinc/41/53/24/447415324.db2.gz RYNPVGRZCGGDKL-CYBMUJFWSA-N 1 0 334.376 1.442 20 5 EDBDRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000044528914 440853365 /nfs/dbraw/zinc/85/33/65/440853365.db2.gz ONEBXEUOXGUQGL-VIFPVBQESA-N 1 0 333.797 1.608 20 5 EDBDRO CC[NH+](CC)CCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000006435779 440992338 /nfs/dbraw/zinc/99/23/38/440992338.db2.gz GGHMJHNMNXAWHI-UHFFFAOYSA-N 1 0 331.394 1.224 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000058257273 441166923 /nfs/dbraw/zinc/16/69/23/441166923.db2.gz HFOIFCVPPYKKSD-FNORWQNLSA-N 1 0 339.367 1.832 20 5 EDBDRO Cc1cc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc([N+](=O)[O-])c1 ZINC000102788304 441171720 /nfs/dbraw/zinc/17/17/20/441171720.db2.gz OXJHTVLOWDUKTQ-CYBMUJFWSA-N 1 0 348.403 1.220 20 5 EDBDRO NS(=O)(=O)c1ccc(NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000014327096 441183234 /nfs/dbraw/zinc/18/32/34/441183234.db2.gz LSIPZFMQHMZRKA-UHFFFAOYSA-N 1 0 340.405 1.281 20 5 EDBDRO COc1cc(C(=O)NCC[NH+]2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000047141333 441158191 /nfs/dbraw/zinc/15/81/91/441158191.db2.gz GBACTECJKXHJBQ-UHFFFAOYSA-N 1 0 337.376 1.828 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000105168777 441239666 /nfs/dbraw/zinc/23/96/66/441239666.db2.gz HQAMRYQFVUEDII-LLVKDONJSA-N 1 0 336.392 1.885 20 5 EDBDRO C[NH+](C)CC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000058866879 441216911 /nfs/dbraw/zinc/21/69/11/441216911.db2.gz DISYSDXRDHMTRJ-UHFFFAOYSA-N 1 0 334.298 1.703 20 5 EDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000072631771 441243028 /nfs/dbraw/zinc/24/30/28/441243028.db2.gz SXENBDASTGDNEW-RYUDHWBXSA-N 1 0 327.406 1.656 20 5 EDBDRO COCC[NH+](CCOC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000063483039 441331804 /nfs/dbraw/zinc/33/18/04/441331804.db2.gz NIPCDIHDTHAHKL-UHFFFAOYSA-N 1 0 339.392 1.827 20 5 EDBDRO COc1ccc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000106366078 441334407 /nfs/dbraw/zinc/33/44/07/441334407.db2.gz CIFGXUHQXJTDOL-NSHDSACASA-N 1 0 343.405 1.271 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000073772138 441352223 /nfs/dbraw/zinc/35/22/23/441352223.db2.gz BWVIOSHAJNWXBX-UHFFFAOYSA-N 1 0 344.419 1.953 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000073842137 441359818 /nfs/dbraw/zinc/35/98/18/441359818.db2.gz XXWHJBVIVIAORF-LBPRGKRZSA-N 1 0 339.417 1.666 20 5 EDBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000027761189 441413586 /nfs/dbraw/zinc/41/35/86/441413586.db2.gz SZDLDJZFUFOMOA-NSHDSACASA-N 1 0 335.360 1.928 20 5 EDBDRO CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)[NH+](C)C ZINC000051654996 441418525 /nfs/dbraw/zinc/41/85/25/441418525.db2.gz IUTRSBSSPHJICG-LBPRGKRZSA-N 1 0 344.437 1.630 20 5 EDBDRO C[C@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000074139741 441399283 /nfs/dbraw/zinc/39/92/83/441399283.db2.gz VMMQQEFGBUGAOM-HSBSLETESA-N 1 0 332.404 1.360 20 5 EDBDRO CC(C)C[C@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000029587051 441464584 /nfs/dbraw/zinc/46/45/84/441464584.db2.gz FBFUVLJCKFTKDM-LLVKDONJSA-N 1 0 344.437 1.630 20 5 EDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000053569723 441530828 /nfs/dbraw/zinc/53/08/28/441530828.db2.gz QEECATJTBZECGG-UHFFFAOYSA-N 1 0 339.417 1.841 20 5 EDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1OCCc2ccccc21 ZINC000075681640 441548198 /nfs/dbraw/zinc/54/81/98/441548198.db2.gz VAXLJIMLVBTCHF-RDJZCZTQSA-N 1 0 346.387 1.398 20 5 EDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000109849185 441510083 /nfs/dbraw/zinc/51/00/83/441510083.db2.gz BVILGZWDHOYLCX-LBPRGKRZSA-N 1 0 329.360 1.462 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000032663103 441564315 /nfs/dbraw/zinc/56/43/15/441564315.db2.gz MBWYEVZUKZTLFH-LBPRGKRZSA-N 1 0 349.387 1.986 20 5 EDBDRO C[NH+](C)CC(C)(C)CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000089619510 441564936 /nfs/dbraw/zinc/56/49/36/441564936.db2.gz DXYADCUBNHHNSG-UHFFFAOYSA-N 1 0 329.422 1.998 20 5 EDBDRO Cc1c(C(=O)N2CCC[C@@H]([NH3+])C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000158308960 441721943 /nfs/dbraw/zinc/72/19/43/441721943.db2.gz COOWGBRXXMJVNA-LLVKDONJSA-N 1 0 330.348 1.047 20 5 EDBDRO CC[NH+](CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000077687599 441830009 /nfs/dbraw/zinc/83/00/09/441830009.db2.gz OSEGGASBOVRJKQ-UHFFFAOYSA-N 1 0 335.813 1.868 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000173837538 441848523 /nfs/dbraw/zinc/84/85/23/441848523.db2.gz QELUSHYAIQHJLF-HNNXBMFYSA-N 1 0 347.415 1.754 20 5 EDBDRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000150879866 441966793 /nfs/dbraw/zinc/96/67/93/441966793.db2.gz BIIMXEWWNSNUPV-LBPRGKRZSA-N 1 0 345.421 1.230 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@@H]2CC(N)=O)cccc1[N+](=O)[O-] ZINC000120541944 442091679 /nfs/dbraw/zinc/09/16/79/442091679.db2.gz NXTYCNFOYFMHKB-CYBMUJFWSA-N 1 0 348.403 1.962 20 5 EDBDRO [NH3+]CCCOC1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000162220927 442075139 /nfs/dbraw/zinc/07/51/39/442075139.db2.gz QWEHQIIGCWCXGI-UHFFFAOYSA-N 1 0 336.392 1.363 20 5 EDBDRO Nc1c(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000175807696 442127027 /nfs/dbraw/zinc/12/70/27/442127027.db2.gz WNSHVMVYXDFUGQ-UHFFFAOYSA-N 1 0 347.419 1.031 20 5 EDBDRO Cc1cccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000175845138 442133917 /nfs/dbraw/zinc/13/39/17/442133917.db2.gz KVWQCYHRXNISEY-UHFFFAOYSA-N 1 0 333.388 1.840 20 5 EDBDRO CC(C)(O)[C@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000162557438 442102504 /nfs/dbraw/zinc/10/25/04/442102504.db2.gz MDHWIHZUUHBKEH-OAHLLOKOSA-N 1 0 333.388 1.719 20 5 EDBDRO Cc1nn(C)c(N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000127082644 442169449 /nfs/dbraw/zinc/16/94/49/442169449.db2.gz OLQQBKOLPSCFEG-CQSZACIVSA-N 1 0 336.440 1.243 20 5 EDBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000097152542 442176892 /nfs/dbraw/zinc/17/68/92/442176892.db2.gz ASPGGSRBTWXTHB-CHWSQXEVSA-N 1 0 337.424 1.664 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127262593 442186921 /nfs/dbraw/zinc/18/69/21/442186921.db2.gz FCDCYBMNQIHVLF-CQSZACIVSA-N 1 0 333.388 1.918 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000163223122 442152170 /nfs/dbraw/zinc/15/21/70/442152170.db2.gz KMHAHRSGUASJHB-CYBMUJFWSA-N 1 0 331.376 1.231 20 5 EDBDRO Cc1c(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000128657733 442280768 /nfs/dbraw/zinc/28/07/68/442280768.db2.gz UKPBHQODGBGDHU-ZIAGYGMSSA-N 1 0 344.375 1.484 20 5 EDBDRO Cc1nn(C)c(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000177069486 442293217 /nfs/dbraw/zinc/29/32/17/442293217.db2.gz IRAVKJKMEGCENB-UHFFFAOYSA-N 1 0 349.366 1.638 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000177066263 442293457 /nfs/dbraw/zinc/29/34/57/442293457.db2.gz WXRDEFCWPUWYJT-UHFFFAOYSA-N 1 0 334.376 1.923 20 5 EDBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000129572284 442323404 /nfs/dbraw/zinc/32/34/04/442323404.db2.gz MPTXRDJAZMNIQU-AWEZNQCLSA-N 1 0 344.375 1.140 20 5 EDBDRO COC(=O)[C@@]1(C)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000177442586 442341624 /nfs/dbraw/zinc/34/16/24/442341624.db2.gz DVAOTEXDLCIHLH-INIZCTEOSA-N 1 0 335.360 1.808 20 5 EDBDRO Cc1nn(C)c(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)c1[N+](=O)[O-] ZINC000154566110 442345974 /nfs/dbraw/zinc/34/59/74/442345974.db2.gz DUTXMXFJPKXMPB-UHFFFAOYSA-N 1 0 349.366 1.767 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000172029471 442401558 /nfs/dbraw/zinc/40/15/58/442401558.db2.gz WCKUVDHUNCJPLW-ZDUSSCGKSA-N 1 0 343.387 1.804 20 5 EDBDRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000130892703 442359292 /nfs/dbraw/zinc/35/92/92/442359292.db2.gz AINDDDDZERAJLI-KGLIPLIRSA-N 1 0 334.376 1.557 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H](OCCO)C3)n2)c1 ZINC000172302007 442438709 /nfs/dbraw/zinc/43/87/09/442438709.db2.gz BLSTUGIWXBLPFW-AWEZNQCLSA-N 1 0 348.359 1.618 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172459188 442466930 /nfs/dbraw/zinc/46/69/30/442466930.db2.gz FLNTYUXVIWNFCZ-UHFFFAOYSA-N 1 0 347.415 1.708 20 5 EDBDRO Cc1nn(CCC(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)c(C)c1[N+](=O)[O-] ZINC000186547934 442558343 /nfs/dbraw/zinc/55/83/43/442558343.db2.gz NNANOVOJQQDPLV-CYBMUJFWSA-N 1 0 335.408 1.541 20 5 EDBDRO COC(=O)N1CCC([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000186387357 442523723 /nfs/dbraw/zinc/52/37/23/442523723.db2.gz CGNHSUZSWLQQGD-LLVKDONJSA-N 1 0 325.369 1.248 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n1 ZINC000191877716 442530853 /nfs/dbraw/zinc/53/08/53/442530853.db2.gz LSOUENGFFDDGSS-XJKSGUPXSA-N 1 0 343.387 1.986 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000173024197 442588605 /nfs/dbraw/zinc/58/86/05/442588605.db2.gz MNDVKCIJPLFSBX-SNVBAGLBSA-N 1 0 343.380 1.497 20 5 EDBDRO Cc1cc(C)c2c(c1)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000186710707 442598447 /nfs/dbraw/zinc/59/84/47/442598447.db2.gz KHHPJRNCLSJKPF-INIZCTEOSA-N 1 0 330.388 1.827 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000186807652 442614937 /nfs/dbraw/zinc/61/49/37/442614937.db2.gz AYGZPBRSUAFEPP-OCCSQVGLSA-N 1 0 332.404 1.923 20 5 EDBDRO COc1cccc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000192685459 442677127 /nfs/dbraw/zinc/67/71/27/442677127.db2.gz XKQHPRWFOSRYTJ-CYBMUJFWSA-N 1 0 349.387 1.398 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000192709626 442678929 /nfs/dbraw/zinc/67/89/29/442678929.db2.gz ZLMZJOZURXTKDL-UHFFFAOYSA-N 1 0 327.406 1.618 20 5 EDBDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000192849231 442692759 /nfs/dbraw/zinc/69/27/59/442692759.db2.gz XQESJMKSTWNUQR-UHFFFAOYSA-N 1 0 327.406 1.451 20 5 EDBDRO Cc1nccn1CCC[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000136307855 442659312 /nfs/dbraw/zinc/65/93/12/442659312.db2.gz ZSWKTDDJMISCKB-MRXNPFEDSA-N 1 0 348.403 1.862 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)NCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000193235438 442725283 /nfs/dbraw/zinc/72/52/83/442725283.db2.gz IUPXMOCEBSSRMD-UHFFFAOYSA-N 1 0 347.368 1.020 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000193244408 442725467 /nfs/dbraw/zinc/72/54/67/442725467.db2.gz VYWBMFOJWVBPJB-VIFPVBQESA-N 1 0 347.368 1.020 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000265482090 442789990 /nfs/dbraw/zinc/78/99/90/442789990.db2.gz HRUOLRCVMJMTSM-LLVKDONJSA-N 1 0 349.391 1.002 20 5 EDBDRO C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000193763716 442782528 /nfs/dbraw/zinc/78/25/28/442782528.db2.gz NQHTZBVGUVIPNH-ZFWWWQNUSA-N 1 0 342.355 1.871 20 5 EDBDRO C[NH+](C)C[C@H]1CCCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268220509 442905766 /nfs/dbraw/zinc/90/57/66/442905766.db2.gz WQAQHDQDJJEQSC-OAHLLOKOSA-N 1 0 348.403 1.267 20 5 EDBDRO COc1cc(CN2CC[NH+](C[C@H](C)O)CC2)c([N+](=O)[O-])cc1F ZINC000189400468 442940120 /nfs/dbraw/zinc/94/01/20/442940120.db2.gz SEUASGLPXUXGFU-NSHDSACASA-N 1 0 327.356 1.241 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000249572391 442988944 /nfs/dbraw/zinc/98/89/44/442988944.db2.gz OPDWQFCXQLZWSQ-NHYWBVRUSA-N 1 0 348.403 1.818 20 5 EDBDRO CC(C)[NH+]1CCC(O)(CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000268500874 443011971 /nfs/dbraw/zinc/01/19/71/443011971.db2.gz VADHJDYNHPSMSD-UHFFFAOYSA-N 1 0 335.404 1.489 20 5 EDBDRO CCOC1CC(C[NH2+]Cc2ccccc2[N+](=O)[O-])(N2CCOCC2)C1 ZINC000195460605 443021208 /nfs/dbraw/zinc/02/12/08/443021208.db2.gz DBGNLOVEFWOUHE-UHFFFAOYSA-N 1 0 349.431 1.954 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000189941761 443033600 /nfs/dbraw/zinc/03/36/00/443033600.db2.gz ZFTZSVHCODMANB-LBPRGKRZSA-N 1 0 341.433 1.973 20 5 EDBDRO C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000296238032 318678502 /nfs/dbraw/zinc/67/85/02/318678502.db2.gz CNRLPFVSPIXJHW-GYSYKLTISA-N 1 0 343.405 1.029 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000266150281 443035975 /nfs/dbraw/zinc/03/59/75/443035975.db2.gz KHQPDNMRCQWUHL-UHFFFAOYSA-N 1 0 334.376 1.774 20 5 EDBDRO NC(=O)c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c([N+](=O)[O-])c1 ZINC000296359655 318688634 /nfs/dbraw/zinc/68/86/34/318688634.db2.gz SAECFCQVZGTMAK-BPLDGKMQSA-N 1 0 331.372 1.741 20 5 EDBDRO CC(=O)N1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000268750145 443096997 /nfs/dbraw/zinc/09/69/97/443096997.db2.gz SKESALYHWWBJFX-GFCCVEGCSA-N 1 0 348.403 1.784 20 5 EDBDRO O=C(N1CCN(c2ncccc2[N+](=O)[O-])CC1)C12CCC[NH+]1CCC2 ZINC000297087634 318748472 /nfs/dbraw/zinc/74/84/72/318748472.db2.gz YCETUDQYAPWLQO-UHFFFAOYSA-N 1 0 345.403 1.267 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000185234079 443167173 /nfs/dbraw/zinc/16/71/73/443167173.db2.gz FIRXNZXMOMMHSK-UHFFFAOYSA-N 1 0 327.406 1.618 20 5 EDBDRO COc1ccc(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1[N+](=O)[O-] ZINC000269033405 443178786 /nfs/dbraw/zinc/17/87/86/443178786.db2.gz CAHFKWIGKFHQKX-OAHLLOKOSA-N 1 0 341.367 1.934 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000299415686 318901329 /nfs/dbraw/zinc/90/13/29/318901329.db2.gz WKVLWYUEUORQJZ-TZMCWYRMSA-N 1 0 348.403 1.831 20 5 EDBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000268956769 443158806 /nfs/dbraw/zinc/15/88/06/443158806.db2.gz DOPJPXCPLNWVGX-RHSMWYFYSA-N 1 0 346.431 1.894 20 5 EDBDRO CO[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[C@@H](C[NH3+])C1 ZINC000261624404 443161403 /nfs/dbraw/zinc/16/14/03/443161403.db2.gz CLYGQLWDPKVLNL-OLZOCXBDSA-N 1 0 343.405 1.030 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000323292965 318942173 /nfs/dbraw/zinc/94/21/73/318942173.db2.gz MFCHCKNPRDVFLV-LLVKDONJSA-N 1 0 343.405 1.366 20 5 EDBDRO CC[C@](C)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nccs1 ZINC000266746923 443227759 /nfs/dbraw/zinc/22/77/59/443227759.db2.gz ORSYUNBBCDXZKU-YPMHNXCESA-N 1 0 325.394 1.524 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC000190870125 443201125 /nfs/dbraw/zinc/20/11/25/443201125.db2.gz ZFGIDCQOJUHPHZ-STQMWFEESA-N 1 0 339.392 1.295 20 5 EDBDRO CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000385135032 319127591 /nfs/dbraw/zinc/12/75/91/319127591.db2.gz HOCFOEOMKIONQW-UHFFFAOYSA-N 1 0 328.166 1.919 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358503301 319112573 /nfs/dbraw/zinc/11/25/73/319112573.db2.gz FDHXFIGEPFOPPG-UHFFFAOYSA-N 1 0 348.403 1.617 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000411354608 319177899 /nfs/dbraw/zinc/17/78/99/319177899.db2.gz JIMSIXHAHABWRX-QWHCGFSZSA-N 1 0 348.403 1.749 20 5 EDBDRO CN(C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1C[NH2+]C[C@@H]1O ZINC000415706885 319364979 /nfs/dbraw/zinc/36/49/79/319364979.db2.gz VFALXYJCLYNYQQ-KBPBESRZSA-N 1 0 336.392 1.689 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415872525 319380352 /nfs/dbraw/zinc/38/03/52/319380352.db2.gz RNSVNUQTRGCGSJ-FRRDWIJNSA-N 1 0 346.387 1.346 20 5 EDBDRO C[NH+](C)CCC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000186045152 443302392 /nfs/dbraw/zinc/30/23/92/443302392.db2.gz GIJXGIJXPSJTHN-UHFFFAOYSA-N 1 0 341.433 1.947 20 5 EDBDRO C[NH+](C)[C@@]1(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000267104801 443343647 /nfs/dbraw/zinc/34/36/47/443343647.db2.gz LPWNIWKENGPKEZ-OAHLLOKOSA-N 1 0 349.416 1.638 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000264602695 443342225 /nfs/dbraw/zinc/34/22/25/443342225.db2.gz FQVQLRJMFOJXCM-LBPRGKRZSA-N 1 0 327.406 1.618 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000264602691 443342475 /nfs/dbraw/zinc/34/24/75/443342475.db2.gz FQVQLRJMFOJXCM-GFCCVEGCSA-N 1 0 327.406 1.618 20 5 EDBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000264611969 443346791 /nfs/dbraw/zinc/34/67/91/443346791.db2.gz NYEDHKSJYRRTMM-LBPRGKRZSA-N 1 0 335.408 1.971 20 5 EDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000269615653 443365206 /nfs/dbraw/zinc/36/52/06/443365206.db2.gz SCLIARPDXUQDQD-RYUDHWBXSA-N 1 0 335.408 1.998 20 5 EDBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000264666370 443366097 /nfs/dbraw/zinc/36/60/97/443366097.db2.gz IMLJDQRVEPAZCV-LBPRGKRZSA-N 1 0 331.376 1.052 20 5 EDBDRO C[NH+](C)CCCOc1cccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000264669523 443367337 /nfs/dbraw/zinc/36/73/37/443367337.db2.gz OMWXLSVMXWYQNJ-UHFFFAOYSA-N 1 0 347.375 1.761 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])c1C ZINC000420424241 319616641 /nfs/dbraw/zinc/61/66/41/319616641.db2.gz PTUKOYYXUADZRA-ZWNOBZJWSA-N 1 0 341.433 1.960 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000264743559 443402022 /nfs/dbraw/zinc/40/20/22/443402022.db2.gz KXQHMKKXVJUNDP-ZDUSSCGKSA-N 1 0 335.360 1.387 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000272679294 443406784 /nfs/dbraw/zinc/40/67/84/443406784.db2.gz VDRHEJKFSBBDCB-NHYWBVRUSA-N 1 0 347.371 1.548 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000423104891 319750923 /nfs/dbraw/zinc/75/09/23/319750923.db2.gz QLCBILIYWCCBPL-QWHCGFSZSA-N 1 0 348.403 1.139 20 5 EDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000423603482 319790050 /nfs/dbraw/zinc/79/00/50/319790050.db2.gz HRRKEAVKDWXFIZ-OCCSQVGLSA-N 1 0 348.403 1.302 20 5 EDBDRO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000423672459 319800301 /nfs/dbraw/zinc/80/03/01/319800301.db2.gz OEVNVNQTFPUFBF-OIBJUYFYSA-N 1 0 328.166 1.919 20 5 EDBDRO C[C@@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272935669 443494042 /nfs/dbraw/zinc/49/40/42/443494042.db2.gz LMEYGPKCGIMDKE-GFCCVEGCSA-N 1 0 347.371 1.553 20 5 EDBDRO O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000423819508 319816617 /nfs/dbraw/zinc/81/66/17/319816617.db2.gz AERQFKIVZVYLCG-SNPRPXQTSA-N 1 0 347.419 1.876 20 5 EDBDRO COCCC[N@H+](CCOC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272941637 443495793 /nfs/dbraw/zinc/49/57/93/443495793.db2.gz NNDIGFPCUXMRQP-AWEZNQCLSA-N 1 0 342.392 1.319 20 5 EDBDRO COCC[C@@](C)(O)C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000265202359 443568045 /nfs/dbraw/zinc/56/80/45/443568045.db2.gz BBFLBVLWPXQHFH-OAHLLOKOSA-N 1 0 328.365 1.489 20 5 EDBDRO CCOC[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000286036985 443631787 /nfs/dbraw/zinc/63/17/87/443631787.db2.gz IDXBVYWMJJDMLT-GDBMZVCRSA-N 1 0 326.393 1.985 20 5 EDBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](CO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000265412024 443633463 /nfs/dbraw/zinc/63/34/63/443633463.db2.gz FMKAKAKUNCKCJB-AWEZNQCLSA-N 1 0 339.392 1.929 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000439345559 320044930 /nfs/dbraw/zinc/04/49/30/320044930.db2.gz FVQWRBBAOZBMKK-GFCCVEGCSA-N 1 0 348.403 1.703 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c1C ZINC000440357454 320073875 /nfs/dbraw/zinc/07/38/75/320073875.db2.gz LJQWXIWVMZTHAZ-CHWSQXEVSA-N 1 0 341.433 1.878 20 5 EDBDRO C[NH2+]CCN(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000440836843 320082514 /nfs/dbraw/zinc/08/25/14/320082514.db2.gz YEAVZQNNTPEUBP-UHFFFAOYSA-N 1 0 342.204 1.742 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000286206327 443667844 /nfs/dbraw/zinc/66/78/44/443667844.db2.gz OFAXIGTVCBIQIS-ADEWGFFLSA-N 1 0 334.376 1.283 20 5 EDBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000276199979 443668491 /nfs/dbraw/zinc/66/84/91/443668491.db2.gz IJWTVCUPPBPPOX-GFCCVEGCSA-N 1 0 326.784 2.000 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000451495172 320235662 /nfs/dbraw/zinc/23/56/62/320235662.db2.gz KZWOZCFGDFGVDE-KGLIPLIRSA-N 1 0 337.376 1.945 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286386080 443703167 /nfs/dbraw/zinc/70/31/67/443703167.db2.gz GUNSVYOPPGOKIA-ZIAGYGMSSA-N 1 0 337.376 1.777 20 5 EDBDRO C[C@@H]1C[C@H](C)N(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1C[NH3+] ZINC000519598065 320468261 /nfs/dbraw/zinc/46/82/61/320468261.db2.gz ZMZBKSLAEWAFHW-VWYCJHECSA-N 1 0 335.360 1.769 20 5 EDBDRO CCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CC)C(=O)OCC ZINC000276790350 443828535 /nfs/dbraw/zinc/82/85/35/443828535.db2.gz KFLRFPCKXNMSSF-ZIAGYGMSSA-N 1 0 342.396 1.206 20 5 EDBDRO C[NH+](C)CC1(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCC1 ZINC000281078819 443812046 /nfs/dbraw/zinc/81/20/46/443812046.db2.gz NPICDCBFVJBFJJ-UHFFFAOYSA-N 1 0 325.340 1.713 20 5 EDBDRO CCN1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[C@H](C)C1 ZINC000298896314 443895551 /nfs/dbraw/zinc/89/55/51/443895551.db2.gz LZQJJMZSQPTWEF-CYBMUJFWSA-N 1 0 348.403 1.703 20 5 EDBDRO CCN1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000288369680 443858709 /nfs/dbraw/zinc/85/87/09/443858709.db2.gz JTOWATWUHRJALR-SNVBAGLBSA-N 1 0 336.348 1.978 20 5 EDBDRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000298782957 443867211 /nfs/dbraw/zinc/86/72/11/443867211.db2.gz XYMWBHUXZQVRGF-UHFFFAOYSA-N 1 0 340.767 1.351 20 5 EDBDRO COc1cc(OCC(=O)N(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000537216151 320733493 /nfs/dbraw/zinc/73/34/93/320733493.db2.gz YFGIHSYBMJLAQF-UHFFFAOYSA-N 1 0 325.365 1.392 20 5 EDBDRO COCCOCCOCCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285237128 443907224 /nfs/dbraw/zinc/90/72/24/443907224.db2.gz PMCRYNUNRCTKJL-ZDUSSCGKSA-N 1 0 341.408 1.897 20 5 EDBDRO Cc1ccc(NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000285241267 443909279 /nfs/dbraw/zinc/90/92/79/443909279.db2.gz YPFLBTRQUWJOKB-LSDHHAIUSA-N 1 0 334.376 1.840 20 5 EDBDRO CNC(=O)c1ccc(NC2CC[NH+](CCOC)CC2)c([N+](=O)[O-])c1 ZINC000299242309 443993713 /nfs/dbraw/zinc/99/37/13/443993713.db2.gz MQGYDPGDHYCRLY-UHFFFAOYSA-N 1 0 336.392 1.477 20 5 EDBDRO COc1cc(C(=O)N2CCC[C@H](CC[NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000281895890 444034584 /nfs/dbraw/zinc/03/45/84/444034584.db2.gz HMOAWSZBSCYCFG-LLVKDONJSA-N 1 0 337.376 1.813 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000299438258 444046939 /nfs/dbraw/zinc/04/69/39/444046939.db2.gz YCSMMQXMVUBKIK-GFCCVEGCSA-N 1 0 334.376 1.218 20 5 EDBDRO COc1cccc([C@H]2C[C@H](O)C[N@@H+]2CCn2cc([N+](=O)[O-])cn2)c1 ZINC000282070288 444078583 /nfs/dbraw/zinc/07/85/83/444078583.db2.gz HBSQDADBHATNKQ-GOEBONIOSA-N 1 0 332.360 1.608 20 5 EDBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000299486608 444059255 /nfs/dbraw/zinc/05/92/55/444059255.db2.gz BDRWHQGLKFZTMR-GASCZTMLSA-N 1 0 333.436 1.985 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000564444296 321132126 /nfs/dbraw/zinc/13/21/26/321132126.db2.gz NNUGGOYVWQRSNT-INIZCTEOSA-N 1 0 349.431 1.799 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccn(C3CCCC3)n2)c1 ZINC000564852704 321151350 /nfs/dbraw/zinc/15/13/50/321151350.db2.gz NTOBMNJPOFTOKC-OAHLLOKOSA-N 1 0 334.380 1.254 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@H]2CO)cc1 ZINC000564976222 321162622 /nfs/dbraw/zinc/16/26/22/321162622.db2.gz QPRMVBYAKQJZAD-FZMZJTMJSA-N 1 0 328.390 1.119 20 5 EDBDRO CCS[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000566113307 321216673 /nfs/dbraw/zinc/21/66/73/321216673.db2.gz XUIVZHHXHGUABX-KWCYVHTRSA-N 1 0 328.438 1.806 20 5 EDBDRO CC(C)(CCCO)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000566112518 321216768 /nfs/dbraw/zinc/21/67/68/321216768.db2.gz XBHJELPFYBHRAR-UHFFFAOYSA-N 1 0 344.433 1.757 20 5 EDBDRO CCn1cccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1=O ZINC000566123742 321218393 /nfs/dbraw/zinc/21/83/93/321218393.db2.gz DOYPJBXJZPQYRC-OAHLLOKOSA-N 1 0 347.371 1.306 20 5 EDBDRO COc1cccc([C@@H]2C[C@H](O)C[N@@H+]2CCn2ccc([N+](=O)[O-])n2)c1 ZINC000282160981 444101778 /nfs/dbraw/zinc/10/17/78/444101778.db2.gz LSJWFTTVRBVZKZ-ZFWWWQNUSA-N 1 0 332.360 1.608 20 5 EDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289309745 444104629 /nfs/dbraw/zinc/10/46/29/444104629.db2.gz SWGKYYXOMWNLII-WUTVXBCWSA-N 1 0 330.388 1.114 20 5 EDBDRO Nc1c(F)c(N2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000282294022 444140371 /nfs/dbraw/zinc/14/03/71/444140371.db2.gz QVGOCTQDZVCIIC-GFCCVEGCSA-N 1 0 338.383 1.865 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000574692408 321496209 /nfs/dbraw/zinc/49/62/09/321496209.db2.gz MANBCJVSNPQFPH-RYUDHWBXSA-N 1 0 347.371 1.785 20 5 EDBDRO Cc1c(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000289826033 444208395 /nfs/dbraw/zinc/20/83/95/444208395.db2.gz AZJYJQMXASGCPD-VXGBXAGGSA-N 1 0 348.359 1.801 20 5 EDBDRO COC1CC[NH+](CCNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000301538774 444177994 /nfs/dbraw/zinc/17/79/94/444177994.db2.gz MNBVCVUCAIQSHR-UHFFFAOYSA-N 1 0 325.394 1.827 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000289648306 444186090 /nfs/dbraw/zinc/18/60/90/444186090.db2.gz LMFMOISDDOJPHN-CABCVRRESA-N 1 0 348.403 1.325 20 5 EDBDRO Cc1nc(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)ncc1[N+](=O)[O-] ZINC000296963371 444265590 /nfs/dbraw/zinc/26/55/90/444265590.db2.gz CSDDIYMBSQRJPV-AWEZNQCLSA-N 1 0 334.424 1.300 20 5 EDBDRO C[N@@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000305709906 444273848 /nfs/dbraw/zinc/27/38/48/444273848.db2.gz XFNPXBWBKGLBCM-DLBZAZTESA-N 1 0 345.403 1.141 20 5 EDBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000296512560 444235003 /nfs/dbraw/zinc/23/50/03/444235003.db2.gz PNWLQCRYFATCFC-JSGCOSHPSA-N 1 0 329.422 1.963 20 5 EDBDRO Cc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000303976900 444238432 /nfs/dbraw/zinc/23/84/32/444238432.db2.gz CKFXNQDPTLIZNO-OAHLLOKOSA-N 1 0 335.404 1.726 20 5 EDBDRO Cc1nn(C)c(C)c1CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000577980474 321701940 /nfs/dbraw/zinc/70/19/40/321701940.db2.gz JVJQKBWDLRVUCR-CQSZACIVSA-N 1 0 348.403 1.517 20 5 EDBDRO NC(=O)c1ccc(CN2CC[NH2+]C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000313338667 444296385 /nfs/dbraw/zinc/29/63/85/444296385.db2.gz ZVRFEHUSZQKNMA-KRWDZBQOSA-N 1 0 340.383 1.840 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCOc3ccccc32)c1 ZINC000578064721 321715361 /nfs/dbraw/zinc/71/53/61/321715361.db2.gz QITHMNJRCORALR-TZMCWYRMSA-N 1 0 332.360 1.308 20 5 EDBDRO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000324157561 444350716 /nfs/dbraw/zinc/35/07/16/444350716.db2.gz BOQIMQZGFMALDT-ZIAGYGMSSA-N 1 0 332.404 1.997 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(C3CC3)cc2F)c1 ZINC000578437241 321774312 /nfs/dbraw/zinc/77/43/12/321774312.db2.gz WYZIHZAUIRGQBK-OAHLLOKOSA-N 1 0 334.351 1.959 20 5 EDBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@]1(C)CCCO1 ZINC000340507674 444416743 /nfs/dbraw/zinc/41/67/43/444416743.db2.gz XODQAVYHMYRHBG-IUODEOHRSA-N 1 0 342.417 1.916 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000298054904 444399462 /nfs/dbraw/zinc/39/94/62/444399462.db2.gz FRBHUHJBYPUNAK-RISCZKNCSA-N 1 0 337.376 1.777 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000579308492 321914477 /nfs/dbraw/zinc/91/44/77/321914477.db2.gz ZENHWOXPDTVQIL-LSDHHAIUSA-N 1 0 348.447 1.841 20 5 EDBDRO CC[NH+]1CCN(CCC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000338030488 444492127 /nfs/dbraw/zinc/49/21/27/444492127.db2.gz YDTKUEWEXIPFNU-UHFFFAOYSA-N 1 0 334.420 1.581 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000581000838 322122677 /nfs/dbraw/zinc/12/26/77/322122677.db2.gz FZAIVBIHIOFAPX-CQSZACIVSA-N 1 0 334.376 1.510 20 5 EDBDRO C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCc2ccccc21 ZINC000581050210 322127942 /nfs/dbraw/zinc/12/79/42/322127942.db2.gz FTIYZWQMOQOQBG-BBRMVZONSA-N 1 0 345.403 1.193 20 5 EDBDRO CC(=O)N1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000338057986 444502389 /nfs/dbraw/zinc/50/23/89/444502389.db2.gz XNYJEWUSTALLCC-LBPRGKRZSA-N 1 0 348.403 1.912 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C[C@H](O)Cn3cccn3)c2c1 ZINC000581544030 322189670 /nfs/dbraw/zinc/18/96/70/322189670.db2.gz GSOOHLQDSKPCJH-AWEZNQCLSA-N 1 0 329.360 1.466 20 5 EDBDRO C[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000343999261 444718706 /nfs/dbraw/zinc/71/87/06/444718706.db2.gz FPUXTXHHRMUIQD-UKRRQHHQSA-N 1 0 334.420 1.833 20 5 EDBDRO O=C(C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000344052675 444751628 /nfs/dbraw/zinc/75/16/28/444751628.db2.gz IKKVZMIBYYZRPS-NOLJZWGESA-N 1 0 331.372 1.187 20 5 EDBDRO O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000344056590 444754138 /nfs/dbraw/zinc/75/41/38/444754138.db2.gz JUKINOMIGHFCFG-DUVNUKRYSA-N 1 0 331.372 1.187 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3C[C@@H]4CC[C@H](O)[C@H]4C3)n2)c1 ZINC000344069295 444763857 /nfs/dbraw/zinc/76/38/57/444763857.db2.gz QXEIXOBQMCEHMX-UBHSHLNASA-N 1 0 330.344 1.848 20 5 EDBDRO C[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C[NH+]1CCCCC1 ZINC000338672250 444802118 /nfs/dbraw/zinc/80/21/18/444802118.db2.gz QJRWZXXKOMVAPF-CYBMUJFWSA-N 1 0 337.424 1.765 20 5 EDBDRO CC(C)[C@@H]([NH3+])CCN(C)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000336859805 444807837 /nfs/dbraw/zinc/80/78/37/444807837.db2.gz LCCOAAGWXYLONR-NSHDSACASA-N 1 0 329.422 1.808 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000342760635 444852601 /nfs/dbraw/zinc/85/26/01/444852601.db2.gz ZRKAPAYXQDTDRS-ZIAGYGMSSA-N 1 0 346.387 1.937 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CNc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000341535863 444881366 /nfs/dbraw/zinc/88/13/66/444881366.db2.gz QJHUCKGEZPDNRK-LBPRGKRZSA-N 1 0 335.408 1.132 20 5 EDBDRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000337294639 445019921 /nfs/dbraw/zinc/01/99/21/445019921.db2.gz NLYYDEJVGMRGPB-FZMZJTMJSA-N 1 0 345.396 1.541 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000343058696 445033975 /nfs/dbraw/zinc/03/39/75/445033975.db2.gz PPNJSFRAEZMFFM-UHFFFAOYSA-N 1 0 345.359 1.886 20 5 EDBDRO O=C(CC[N@H+]1CCSC[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000337329582 445034781 /nfs/dbraw/zinc/03/47/81/445034781.db2.gz ZVSVQQZHOCITDN-NSHDSACASA-N 1 0 325.390 1.333 20 5 EDBDRO CO[C@@H]1C[C@@H](CN(C)C(=O)COc2cccc([N+](=O)[O-])c2)[N@H+](C)C1 ZINC000344490529 445007267 /nfs/dbraw/zinc/00/72/67/445007267.db2.gz DQJHEPVZVAJSGZ-DZGCQCFKSA-N 1 0 337.376 1.151 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC2(O)CCCC2)CC1 ZINC000330574876 445042630 /nfs/dbraw/zinc/04/26/30/445042630.db2.gz LTARXTJHCKNAAS-UHFFFAOYSA-N 1 0 333.388 1.658 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000330817037 445152526 /nfs/dbraw/zinc/15/25/26/445152526.db2.gz RFFMTJWSQNMNPO-STQMWFEESA-N 1 0 348.403 1.184 20 5 EDBDRO CC(C)CN(C(=O)c1cc([N+](=O)[O-])cnc1N)C1CC[NH+](C)CC1 ZINC000330825303 445155829 /nfs/dbraw/zinc/15/58/29/445155829.db2.gz QZRZWUBZWLZJAO-UHFFFAOYSA-N 1 0 335.408 1.764 20 5 EDBDRO C[C@@H]1[C@@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCC[N@@H+]1C ZINC000343448035 445224864 /nfs/dbraw/zinc/22/48/64/445224864.db2.gz PQSSQPXPYZMXFH-OLZOCXBDSA-N 1 0 343.387 1.993 20 5 EDBDRO C[C@@H]1[C@@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC[N@@H+]1C ZINC000343450190 445225145 /nfs/dbraw/zinc/22/51/45/445225145.db2.gz QQBOKLQYISNZTN-YPMHNXCESA-N 1 0 349.387 1.507 20 5 EDBDRO C[C@@H]1[C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343455726 445226100 /nfs/dbraw/zinc/22/61/00/445226100.db2.gz JQSNKNJZBXHVKB-KOLCDFICSA-N 1 0 328.394 1.137 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000343516062 445237172 /nfs/dbraw/zinc/23/71/72/445237172.db2.gz KNARYAXHPDIJDN-CMPLNLGQSA-N 1 0 337.376 1.825 20 5 EDBDRO Cc1sc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000343528576 445239084 /nfs/dbraw/zinc/23/90/84/445239084.db2.gz ALUGBYLIMDEBFQ-GHMZBOCLSA-N 1 0 345.446 1.870 20 5 EDBDRO CO[C@@H]1C[C@@H](CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)[N@H+](C)C1 ZINC000343579583 445249675 /nfs/dbraw/zinc/24/96/75/445249675.db2.gz KDNFLUGJDQBGRD-NWDGAFQWSA-N 1 0 340.355 1.917 20 5 EDBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cnn(C)c1 ZINC000348325913 445257537 /nfs/dbraw/zinc/25/75/37/445257537.db2.gz YXDJTZCHAYQZTE-XHDPSFHLSA-N 1 0 329.360 1.784 20 5 EDBDRO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000348214072 445318183 /nfs/dbraw/zinc/31/81/83/445318183.db2.gz KELTYXOQGQFNES-MRXNPFEDSA-N 1 0 332.404 1.726 20 5 EDBDRO O=C(CN1CCc2ccc([N+](=O)[O-])cc21)NC1CC[NH+](C2CC2)CC1 ZINC000348255736 445329672 /nfs/dbraw/zinc/32/96/72/445329672.db2.gz TUAPUDSGWFBZMX-UHFFFAOYSA-N 1 0 344.415 1.700 20 5 EDBDRO CCOc1ccc(C(=O)NCC2(O)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000354701064 445345346 /nfs/dbraw/zinc/34/53/46/445345346.db2.gz FGEKZKXNRPOXFR-UHFFFAOYSA-N 1 0 337.376 1.180 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000351895933 445360737 /nfs/dbraw/zinc/36/07/37/445360737.db2.gz FCVJZUQFAJMXFM-CYBMUJFWSA-N 1 0 341.433 1.784 20 5 EDBDRO O=C(C[N@@H+]1CCC[C@H]2COCC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000362456398 445391614 /nfs/dbraw/zinc/39/16/14/445391614.db2.gz VKSSDYOIZLENRX-HOCLYGCPSA-N 1 0 345.399 1.985 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)c1[N+](=O)[O-] ZINC000359983355 445513754 /nfs/dbraw/zinc/51/37/54/445513754.db2.gz HQTTZXNJQVZMLI-LBPRGKRZSA-N 1 0 327.406 1.569 20 5 EDBDRO COC[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC[NH2+]1 ZINC000357282848 445524347 /nfs/dbraw/zinc/52/43/47/445524347.db2.gz FNJWQYOLZXANMA-AWEZNQCLSA-N 1 0 327.768 1.747 20 5 EDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@@H]1C ZINC000352665457 445546121 /nfs/dbraw/zinc/54/61/21/445546121.db2.gz QNLTTWIEILLNQS-QWRGUYRKSA-N 1 0 335.360 1.878 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3c[nH]c4nccnc34)C2)nc1 ZINC000356131867 445637890 /nfs/dbraw/zinc/63/78/90/445637890.db2.gz URFDTQLQCBDUNQ-LBPRGKRZSA-N 1 0 339.359 1.899 20 5 EDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356142473 445643958 /nfs/dbraw/zinc/64/39/58/445643958.db2.gz BBOIJGZGTZCOFI-CHWSQXEVSA-N 1 0 337.424 1.816 20 5 EDBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363020875 445652376 /nfs/dbraw/zinc/65/23/76/445652376.db2.gz WYFNWZAPZIGYTI-KBPBESRZSA-N 1 0 346.387 1.068 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000363106560 445680894 /nfs/dbraw/zinc/68/08/94/445680894.db2.gz QJPDIHYZPXAGFW-UHFFFAOYSA-N 1 0 349.435 1.871 20 5 EDBDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000349813578 445686728 /nfs/dbraw/zinc/68/67/28/445686728.db2.gz RHVOMBCGWQAHPY-JTQLQIEISA-N 1 0 333.385 1.741 20 5 EDBDRO CCOCCC[N@@H+]1CC[C@H](Nc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000360334855 445699301 /nfs/dbraw/zinc/69/93/01/445699301.db2.gz LBBZNYFZPIVWPO-STQMWFEESA-N 1 0 325.413 1.877 20 5 EDBDRO Cn1ccnc1[C@@H](NCCOCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000353685583 445705863 /nfs/dbraw/zinc/70/58/63/445705863.db2.gz JBNXHIOYUGMTCZ-INIZCTEOSA-N 1 0 347.419 1.586 20 5 EDBDRO Cc1cc(NC[C@H](CO)[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000360275751 445671389 /nfs/dbraw/zinc/67/13/89/445671389.db2.gz SOFJMYQPCPVKTA-QWHCGFSZSA-N 1 0 331.372 1.930 20 5 EDBDRO C[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])c(N)n2)[C@@H]1c1cccs1 ZINC000361154232 445751171 /nfs/dbraw/zinc/75/11/71/445751171.db2.gz NTWRKMVRRSPMNU-BXKDBHETSA-N 1 0 334.405 1.555 20 5 EDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000372952073 445941007 /nfs/dbraw/zinc/94/10/07/445941007.db2.gz GWVIDWGFUNCEBB-BBRMVZONSA-N 1 0 332.404 1.997 20 5 EDBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)[NH+](C)C ZINC000582430726 325847071 /nfs/dbraw/zinc/84/70/71/325847071.db2.gz GDIIGLJOVDADPA-NSHDSACASA-N 1 0 326.372 1.933 20 5 EDBDRO C[C@H](O)C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000582600886 325882658 /nfs/dbraw/zinc/88/26/58/325882658.db2.gz CSHIYSUCZZVDFK-YSVLISHTSA-N 1 0 348.403 1.297 20 5 EDBDRO COc1ccc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC000361829734 445987692 /nfs/dbraw/zinc/98/76/92/445987692.db2.gz ORWSMPLVJZSMHI-UHFFFAOYSA-N 1 0 348.363 2.006 20 5 EDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000359193182 446019826 /nfs/dbraw/zinc/01/98/26/446019826.db2.gz IIYALAOYUFZRRN-HNNXBMFYSA-N 1 0 348.403 1.315 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1)C1CCC1 ZINC000373098981 446026738 /nfs/dbraw/zinc/02/67/38/446026738.db2.gz KLOKJPODJPDWQT-CQSZACIVSA-N 1 0 333.388 1.964 20 5 EDBDRO CO[C@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000359211942 446041064 /nfs/dbraw/zinc/04/10/64/446041064.db2.gz KBDMWZTWHAIHAQ-OLZOCXBDSA-N 1 0 337.376 1.328 20 5 EDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCN(c2cnccn2)CC1 ZINC000366104975 446015170 /nfs/dbraw/zinc/01/51/70/446015170.db2.gz SJCLHWXZSGIGEV-UHFFFAOYSA-N 1 0 331.380 1.182 20 5 EDBDRO COc1cc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])ccc1O ZINC000583317293 326048501 /nfs/dbraw/zinc/04/85/01/326048501.db2.gz CFZROPFVGFGRDZ-CYBMUJFWSA-N 1 0 348.355 1.839 20 5 EDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000359232052 446063302 /nfs/dbraw/zinc/06/33/02/446063302.db2.gz YYGQLNXJOSLIAH-SWLSCSKDSA-N 1 0 348.403 1.314 20 5 EDBDRO C[C@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000351503616 446108746 /nfs/dbraw/zinc/10/87/46/446108746.db2.gz SGVSYFPPTDUORO-SECBINFHSA-N 1 0 338.339 1.271 20 5 EDBDRO C[NH+](C)CCN1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000369488661 446125422 /nfs/dbraw/zinc/12/54/22/446125422.db2.gz WIIYIDXDSWVPSM-UHFFFAOYSA-N 1 0 327.816 1.717 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362064150 446187940 /nfs/dbraw/zinc/18/79/40/446187940.db2.gz HRYSLVKIFBGNJR-STQMWFEESA-N 1 0 336.392 1.286 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000366425715 446208506 /nfs/dbraw/zinc/20/85/06/446208506.db2.gz CVUNTPWJCNLTII-DFBGVHRSSA-N 1 0 334.376 1.314 20 5 EDBDRO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000374791945 446395666 /nfs/dbraw/zinc/39/56/66/446395666.db2.gz GYJORRLTRJQDJV-AGUYFDCRSA-N 1 0 330.392 1.935 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1C[NH2+]CCN1C ZINC000420285469 446451095 /nfs/dbraw/zinc/45/10/95/446451095.db2.gz ZGASNJPPSOWVCZ-SNVBAGLBSA-N 1 0 342.783 1.350 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370760063 446419822 /nfs/dbraw/zinc/41/98/22/446419822.db2.gz PRQPYJKPWBJAHX-NVXWUHKLSA-N 1 0 347.415 1.754 20 5 EDBDRO [NH3+]CC[C@@H]1CCCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420322568 446487145 /nfs/dbraw/zinc/48/71/45/446487145.db2.gz WSLMHERNHNNLGV-ZDUSSCGKSA-N 1 0 341.433 1.572 20 5 EDBDRO COC[C@]1(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC[NH2+]1 ZINC000423418032 446524743 /nfs/dbraw/zinc/52/47/43/446524743.db2.gz UAGIBNIPXLATOQ-SQWLQELKSA-N 1 0 337.424 1.633 20 5 EDBDRO Cn1cc([C@H]2[C@H](CNC(=O)c3ccc([N+](=O)[O-])o3)CCC[N@@H+]2C)cn1 ZINC000370929991 446527611 /nfs/dbraw/zinc/52/76/11/446527611.db2.gz XRICXIWGACGPAE-XHDPSFHLSA-N 1 0 347.375 1.734 20 5 EDBDRO [NH3+]C[C@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000418402751 446530962 /nfs/dbraw/zinc/53/09/62/446530962.db2.gz OMNHYCXTVXHOBJ-HNNXBMFYSA-N 1 0 333.392 1.164 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2C[NH2+]CCC2(F)F)ccc1[N+](=O)[O-] ZINC000420441301 446616501 /nfs/dbraw/zinc/61/65/01/446616501.db2.gz IEQIXAINTWDOOL-LLVKDONJSA-N 1 0 335.332 1.179 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)N2CCCO[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000420398077 446571195 /nfs/dbraw/zinc/57/11/95/446571195.db2.gz YJAQLZCYOOWASN-QWHCGFSZSA-N 1 0 336.392 1.280 20 5 EDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000423616619 446606994 /nfs/dbraw/zinc/60/69/94/446606994.db2.gz WMTWJFLBZAJGEH-LLVKDONJSA-N 1 0 335.751 1.758 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000418730051 446658072 /nfs/dbraw/zinc/65/80/72/446658072.db2.gz SAYNYAQPJKVSGB-QWHCGFSZSA-N 1 0 348.403 1.885 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C[C@@H]21 ZINC000375233256 446659770 /nfs/dbraw/zinc/65/97/70/446659770.db2.gz JPMHKKIOIUPPBZ-YGRLFVJLSA-N 1 0 329.360 1.774 20 5 EDBDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418778945 446697692 /nfs/dbraw/zinc/69/76/92/446697692.db2.gz JIOHBKWEAXQEKX-WCQYABFASA-N 1 0 336.392 1.406 20 5 EDBDRO C[C@H](NC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000418786087 446701113 /nfs/dbraw/zinc/70/11/13/446701113.db2.gz RSHOQABESQEWQJ-XUJVJEKNSA-N 1 0 348.403 1.358 20 5 EDBDRO C[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000418786972 446702285 /nfs/dbraw/zinc/70/22/85/446702285.db2.gz TWGJLHCKKIHDNY-MISXGVKJSA-N 1 0 334.376 1.029 20 5 EDBDRO COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+](C)C1 ZINC000411907796 446716493 /nfs/dbraw/zinc/71/64/93/446716493.db2.gz DOTZIMMBQLOFOK-LBPRGKRZSA-N 1 0 341.795 1.785 20 5 EDBDRO C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000418764984 446684007 /nfs/dbraw/zinc/68/40/07/446684007.db2.gz ASDNMBDMIIPOPF-VHRBIJSZSA-N 1 0 334.376 1.016 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411932499 446744409 /nfs/dbraw/zinc/74/44/09/446744409.db2.gz FVCVBGJPRSYXJG-JKSUJKDBSA-N 1 0 329.356 1.564 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000454157814 446793206 /nfs/dbraw/zinc/79/32/06/446793206.db2.gz YWWYNGWDDUZDJE-AWEZNQCLSA-N 1 0 336.392 1.872 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000423952035 446794735 /nfs/dbraw/zinc/79/47/35/446794735.db2.gz MOBGARZISOJVMO-ATZCPNFKSA-N 1 0 327.768 1.821 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000420759993 446797366 /nfs/dbraw/zinc/79/73/66/446797366.db2.gz FKYBRKOXYRBMKL-GFCCVEGCSA-N 1 0 327.406 1.618 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420771761 446808792 /nfs/dbraw/zinc/80/87/92/446808792.db2.gz SPQUUYFAKCQBFY-CQSZACIVSA-N 1 0 341.433 1.493 20 5 EDBDRO C[C@@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000371440146 446856852 /nfs/dbraw/zinc/85/68/52/446856852.db2.gz PFXZSARQKQGSGB-LLVKDONJSA-N 1 0 331.380 1.438 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1F ZINC000412233377 446905923 /nfs/dbraw/zinc/90/59/23/446905923.db2.gz TWMFDWAHTVCWID-WDEREUQCSA-N 1 0 339.367 1.836 20 5 EDBDRO O=C(CC[N@@H+]1CCO[C@@]2(CCCOC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000375663877 446959492 /nfs/dbraw/zinc/95/94/92/446959492.db2.gz FILZXDIOWXOFBJ-KRWDZBQOSA-N 1 0 349.387 1.805 20 5 EDBDRO CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@@H]1CCC[N@@H+]1C ZINC000421010778 446983751 /nfs/dbraw/zinc/98/37/51/446983751.db2.gz REUPKYBAJQMQJM-AWEZNQCLSA-N 1 0 348.403 1.919 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc([N+](=O)[O-])c1F ZINC000368636931 446995737 /nfs/dbraw/zinc/99/57/37/446995737.db2.gz JDYFVLIDPGAVIA-JQWIXIFHSA-N 1 0 343.380 1.415 20 5 EDBDRO CNc1nc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000455100651 447050800 /nfs/dbraw/zinc/05/08/00/447050800.db2.gz NVEFJBCSPPAPFM-LBPRGKRZSA-N 1 0 335.408 1.882 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443454871 447054060 /nfs/dbraw/zinc/05/40/60/447054060.db2.gz QCECWVPVAZLLIN-BXUZGUMPSA-N 1 0 327.406 1.626 20 5 EDBDRO CC(C)[N@@H+]1CCO[C@H](C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000377259492 447024722 /nfs/dbraw/zinc/02/47/22/447024722.db2.gz LVDHWQVSELIEPU-AWEZNQCLSA-N 1 0 347.375 1.197 20 5 EDBDRO CN1CC[C@@H](C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 ZINC000372521748 447106997 /nfs/dbraw/zinc/10/69/97/447106997.db2.gz LEBDXPSOXQGSIR-RDJZCZTQSA-N 1 0 344.419 1.811 20 5 EDBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372478036 447075671 /nfs/dbraw/zinc/07/56/71/447075671.db2.gz NBJIGUKLCSMQBB-UKRRQHHQSA-N 1 0 335.408 1.829 20 5 EDBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419328006 447095259 /nfs/dbraw/zinc/09/52/59/447095259.db2.gz DHFOXXBGPRMGFO-RYUDHWBXSA-N 1 0 333.392 1.358 20 5 EDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000377481222 447154003 /nfs/dbraw/zinc/15/40/03/447154003.db2.gz HUCSHFITKKTZCC-KGLIPLIRSA-N 1 0 348.403 1.376 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC=C(c2cccnc2)CC1 ZINC000375960656 447176677 /nfs/dbraw/zinc/17/66/77/447176677.db2.gz JTMNDRLJCUOZFM-UHFFFAOYSA-N 1 0 326.356 1.941 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1F ZINC000421715534 447230966 /nfs/dbraw/zinc/23/09/66/447230966.db2.gz YAUJEFIGNWPJCH-NSHDSACASA-N 1 0 339.367 1.838 20 5 EDBDRO CNc1nc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000456062743 447291791 /nfs/dbraw/zinc/29/17/91/447291791.db2.gz LOWOGBAWSPCDNS-YWPYICTPSA-N 1 0 347.419 1.834 20 5 EDBDRO CCOCCOC[C@@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447598111 447280296 /nfs/dbraw/zinc/28/02/96/447280296.db2.gz GPGDMZYZXYZAQV-DOTOQJQBSA-N 1 0 338.404 1.976 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000415462791 447452901 /nfs/dbraw/zinc/45/29/01/447452901.db2.gz PXPXYNWGSRWVLZ-RYUDHWBXSA-N 1 0 334.376 1.394 20 5 EDBDRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000415482675 447472081 /nfs/dbraw/zinc/47/20/81/447472081.db2.gz XSSXCSZOFJQUCC-UHFFFAOYSA-N 1 0 348.403 1.690 20 5 EDBDRO CC[N@H+](CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])CCC(F)(F)F ZINC000427280832 447574689 /nfs/dbraw/zinc/57/46/89/447574689.db2.gz MCTMLUSUNLRMBO-UHFFFAOYSA-N 1 0 337.302 1.630 20 5 EDBDRO CCC[NH2+]CCNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000420213813 447672334 /nfs/dbraw/zinc/67/23/34/447672334.db2.gz IDIIAUVUVIJFPG-UHFFFAOYSA-N 1 0 336.392 1.479 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NC[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000422753730 447738985 /nfs/dbraw/zinc/73/89/85/447738985.db2.gz GIELHEKBDOMYQQ-NSHDSACASA-N 1 0 335.360 1.501 20 5 EDBDRO COC(=O)[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C(C)C ZINC000429360704 447743180 /nfs/dbraw/zinc/74/31/80/447743180.db2.gz IGFMABCCSOGRPJ-ZFWWWQNUSA-N 1 0 337.376 1.276 20 5 EDBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000451779006 447751792 /nfs/dbraw/zinc/75/17/92/447751792.db2.gz YZCUREVQVBIMPA-OLZOCXBDSA-N 1 0 335.360 1.515 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N[C@@](C)(C[NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000422848667 447768398 /nfs/dbraw/zinc/76/83/98/447768398.db2.gz BCPDBBHXFOOXJB-INIZCTEOSA-N 1 0 336.392 1.123 20 5 EDBDRO Cc1nc(NCC(=O)NCC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000431484322 447809673 /nfs/dbraw/zinc/80/96/73/447809673.db2.gz LPGDSUJZNQWWEP-UHFFFAOYSA-N 1 0 335.408 1.702 20 5 EDBDRO CCOC(=O)c1ccnc(N2CC[N@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000487111660 447827433 /nfs/dbraw/zinc/82/74/33/447827433.db2.gz JTZXSMQZXUTEDF-ZDUSSCGKSA-N 1 0 336.392 1.943 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@@H+]1C ZINC000525104924 447969310 /nfs/dbraw/zinc/96/93/10/447969310.db2.gz HPKHPWVKGSUFSP-WDEREUQCSA-N 1 0 335.360 1.579 20 5 EDBDRO CNc1nccc(C(=O)NCC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000576886603 448164350 /nfs/dbraw/zinc/16/43/50/448164350.db2.gz ZITGQEATAJYLFU-UHFFFAOYSA-N 1 0 335.408 2.026 20 5 EDBDRO CC[NH+]1CCN([C@@H]2CCN(c3c(OC)cccc3[N+](=O)[O-])C2)CC1 ZINC000514949046 448231279 /nfs/dbraw/zinc/23/12/79/448231279.db2.gz ANWVCXSBTRTENL-CQSZACIVSA-N 1 0 334.420 1.820 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000591303578 448314823 /nfs/dbraw/zinc/31/48/23/448314823.db2.gz OXHNQGYAWFHBJT-CYBMUJFWSA-N 1 0 334.376 1.298 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591304281 448315946 /nfs/dbraw/zinc/31/59/46/448315946.db2.gz AMHOHGAMZOSUTM-WFASDCNBSA-N 1 0 346.387 1.306 20 5 EDBDRO CC[NH+]1CCC(CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000582983287 448396934 /nfs/dbraw/zinc/39/69/34/448396934.db2.gz GYSJHUYYDDCEKY-UHFFFAOYSA-N 1 0 342.421 1.386 20 5 EDBDRO COc1ccc(CC(=O)Nc2cnc3c(c2)C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591681346 448449371 /nfs/dbraw/zinc/44/93/71/448449371.db2.gz KBDVFDQHBBUNRF-UHFFFAOYSA-N 1 0 342.355 1.825 20 5 EDBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000591685975 448451076 /nfs/dbraw/zinc/45/10/76/448451076.db2.gz GBGLRAFXJJGIGJ-ZDUSSCGKSA-N 1 0 333.344 1.238 20 5 EDBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@H](O)CN2CCOCC2)cc1 ZINC000591741087 448479495 /nfs/dbraw/zinc/47/94/95/448479495.db2.gz VGVPBJOCFRMLAN-KRWDZBQOSA-N 1 0 337.420 1.200 20 5 EDBDRO O=C(CC[NH2+]C[C@@H](CO)Cc1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000517030009 448527546 /nfs/dbraw/zinc/52/75/46/448527546.db2.gz GNULXRXMRLTIHN-ZDUSSCGKSA-N 1 0 347.371 1.957 20 5 EDBDRO COc1cc(CC[NH2+]C[C@@H](O)CSC)c([N+](=O)[O-])cc1OC ZINC000584462845 448534793 /nfs/dbraw/zinc/53/47/93/448534793.db2.gz IJGAWQVLWWRSIO-LLVKDONJSA-N 1 0 330.406 1.468 20 5 EDBDRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000578764930 448631543 /nfs/dbraw/zinc/63/15/43/448631543.db2.gz WXEBDFYRQAKTQP-QGZVFWFLSA-N 1 0 344.371 1.263 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000579142590 448727604 /nfs/dbraw/zinc/72/76/04/448727604.db2.gz FNRPDOVLDLCZDR-ZDUSSCGKSA-N 1 0 341.433 1.832 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000579238756 448750967 /nfs/dbraw/zinc/75/09/67/448750967.db2.gz WCXUVPVCGXPOIM-GWCFXTLKSA-N 1 0 327.406 1.434 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000592381576 448813308 /nfs/dbraw/zinc/81/33/08/448813308.db2.gz XIOYFLYIRIMUSA-GXTWGEPZSA-N 1 0 339.417 1.530 20 5 EDBDRO CC[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000592303342 448781496 /nfs/dbraw/zinc/78/14/96/448781496.db2.gz UGCYFJMPKQLGKM-UHFFFAOYSA-N 1 0 349.387 1.828 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+]C(C)(C)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000546000818 448814198 /nfs/dbraw/zinc/81/41/98/448814198.db2.gz JZEXRFYVJKWIFF-UHFFFAOYSA-N 1 0 347.375 1.800 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCO1 ZINC000592310634 448787104 /nfs/dbraw/zinc/78/71/04/448787104.db2.gz WTVNMMIKYYUJRD-BXKDBHETSA-N 1 0 335.385 1.998 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC(C)([NH3+])CC1 ZINC000592329253 448793288 /nfs/dbraw/zinc/79/32/88/448793288.db2.gz SNHZIJCIACSFTG-NSHDSACASA-N 1 0 338.412 1.167 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](CC)C2)cc1[N+](=O)[O-] ZINC000592382566 448815562 /nfs/dbraw/zinc/81/55/62/448815562.db2.gz QBNCTIBTRPMMAO-OCCSQVGLSA-N 1 0 341.433 1.905 20 5 EDBDRO C[NH2+]C1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000592472638 448851546 /nfs/dbraw/zinc/85/15/46/448851546.db2.gz PNBAKDICQZGRRU-UHFFFAOYSA-N 1 0 327.406 1.052 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(OCC3CC3)nc2)c1 ZINC000568621595 448895689 /nfs/dbraw/zinc/89/56/89/448895689.db2.gz WVLGMIXQQRUZNB-OAHLLOKOSA-N 1 0 347.375 1.126 20 5 EDBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548091097 448982190 /nfs/dbraw/zinc/98/21/90/448982190.db2.gz NBDCARMDJCKQCT-CQSZACIVSA-N 1 0 343.387 1.912 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000574970124 449001409 /nfs/dbraw/zinc/00/14/09/449001409.db2.gz JMIYDFSIUMKHLE-NSHDSACASA-N 1 0 348.403 1.608 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000592872992 449029348 /nfs/dbraw/zinc/02/93/48/449029348.db2.gz NXBKZEWUHPASOO-LBPRGKRZSA-N 1 0 334.376 1.095 20 5 EDBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](Cn4ccnn4)C3)nc2c1 ZINC000595608329 449076614 /nfs/dbraw/zinc/07/66/14/449076614.db2.gz NTHIIYDIQDBFKK-NSHDSACASA-N 1 0 328.332 1.850 20 5 EDBDRO O=C(C[NH2+][C@H](CO)C1CCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595613876 449080352 /nfs/dbraw/zinc/08/03/52/449080352.db2.gz BNBHFQUNDUTTRY-GFCCVEGCSA-N 1 0 327.768 1.937 20 5 EDBDRO O=C(C[NH2+][C@@H](CO)C1CCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595613878 449080392 /nfs/dbraw/zinc/08/03/92/449080392.db2.gz BNBHFQUNDUTTRY-LBPRGKRZSA-N 1 0 327.768 1.937 20 5 EDBDRO CNc1nccc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000521988579 449037145 /nfs/dbraw/zinc/03/71/45/449037145.db2.gz LKHBASSUYHVVNG-VXGBXAGGSA-N 1 0 335.408 1.882 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582229731 449041932 /nfs/dbraw/zinc/04/19/32/449041932.db2.gz WLXUQELQXLTHPF-INIZCTEOSA-N 1 0 332.360 1.135 20 5 EDBDRO C[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)C[NH+](C)C ZINC000599962496 449128732 /nfs/dbraw/zinc/12/87/32/449128732.db2.gz QWGZDZKSBNZFFY-LLVKDONJSA-N 1 0 349.366 1.847 20 5 EDBDRO COC(=O)COc1ccc(CN2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590052463 449100277 /nfs/dbraw/zinc/10/02/77/449100277.db2.gz CEYNCZOROVQLPJ-ZFWWWQNUSA-N 1 0 349.387 1.283 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2CCC[C@H]2C(=O)OC)c1 ZINC000593029603 449108496 /nfs/dbraw/zinc/10/84/96/449108496.db2.gz CUFXQVBERNMDCN-OLZOCXBDSA-N 1 0 336.344 1.813 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)NC2(C[NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000599921864 449110436 /nfs/dbraw/zinc/11/04/36/449110436.db2.gz WBOPXOIIBUUKPH-LBPRGKRZSA-N 1 0 336.392 1.771 20 5 EDBDRO C[C@H]1CC[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C[NH2+]1 ZINC000599932523 449113474 /nfs/dbraw/zinc/11/34/74/449113474.db2.gz ACENEZLXCGOOKH-RYUDHWBXSA-N 1 0 334.376 1.508 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(C2(O)CC2)CC1 ZINC000593049941 449114411 /nfs/dbraw/zinc/11/44/11/449114411.db2.gz MZQSDDGLRIWXRX-CQSZACIVSA-N 1 0 336.388 1.571 20 5 EDBDRO CCN1C[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000593721958 449160383 /nfs/dbraw/zinc/16/03/83/449160383.db2.gz GCHFOBMHJZUSTF-BFHYXJOUSA-N 1 0 335.408 1.733 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H]1COCCO1 ZINC000595736588 449138975 /nfs/dbraw/zinc/13/89/75/449138975.db2.gz MTOKGGSYEYWVCU-CQSZACIVSA-N 1 0 337.376 1.579 20 5 EDBDRO COC(=O)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@@H]12 ZINC000595738366 449139642 /nfs/dbraw/zinc/13/96/42/449139642.db2.gz RECXDVAUYYKSTP-ZNMIVQPWSA-N 1 0 336.392 1.845 20 5 EDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000593680113 449144911 /nfs/dbraw/zinc/14/49/11/449144911.db2.gz PLFNYYHWMNACEF-CYBMUJFWSA-N 1 0 343.330 1.447 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595753577 449148325 /nfs/dbraw/zinc/14/83/25/449148325.db2.gz ZCPDOGWHWFBFDM-RHSMWYFYSA-N 1 0 336.388 1.571 20 5 EDBDRO CCN1C[C@@H](C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1=O ZINC000593689757 449149148 /nfs/dbraw/zinc/14/91/48/449149148.db2.gz RGKYINVZZIDJMT-LLVKDONJSA-N 1 0 337.376 1.570 20 5 EDBDRO Cc1c(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000590402478 449149991 /nfs/dbraw/zinc/14/99/91/449149991.db2.gz UVVAYQJCOPDOKL-CVEARBPZSA-N 1 0 333.388 1.838 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2ccc(O)cc2CC1 ZINC000611185935 449208203 /nfs/dbraw/zinc/20/82/03/449208203.db2.gz RVHLEOPHQNSAOC-UHFFFAOYSA-N 1 0 329.356 1.563 20 5 EDBDRO O=[N+]([O-])c1ccccc1OCCN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595867581 449218515 /nfs/dbraw/zinc/21/85/15/449218515.db2.gz PCIQWKVJFVMQDE-HNNXBMFYSA-N 1 0 335.404 1.505 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NCCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000593772986 449189887 /nfs/dbraw/zinc/18/98/87/449189887.db2.gz BCTGGANBJXLPIZ-UHFFFAOYSA-N 1 0 334.376 1.348 20 5 EDBDRO CN(CC(C)(C)[NH3+])C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000595947703 449274540 /nfs/dbraw/zinc/27/45/40/449274540.db2.gz WCDARCXAVLRAFP-UHFFFAOYSA-N 1 0 342.783 1.174 20 5 EDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)[C@H](C[NH3+])C(F)(F)F ZINC000595907366 449246201 /nfs/dbraw/zinc/24/62/01/449246201.db2.gz JTKXLCBMWVLIKM-GZMMTYOYSA-N 1 0 334.298 1.743 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N(C)[C@@H](C)C[NH3+])c1 ZINC000593902627 449273680 /nfs/dbraw/zinc/27/36/80/449273680.db2.gz CTCXCMRFSFCAOZ-LBPRGKRZSA-N 1 0 331.376 1.567 20 5 EDBDRO Cc1n[nH]c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000595966056 449286813 /nfs/dbraw/zinc/28/68/13/449286813.db2.gz CLZGJWQCRGRURQ-CHWSQXEVSA-N 1 0 347.350 1.641 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000590776631 449290405 /nfs/dbraw/zinc/29/04/05/449290405.db2.gz GOQCKMZEWHOPRD-XHDPSFHLSA-N 1 0 347.371 1.548 20 5 EDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000595984069 449296791 /nfs/dbraw/zinc/29/67/91/449296791.db2.gz URUMRDNIGUKLLI-SSDOTTSWSA-N 1 0 333.291 1.543 20 5 EDBDRO Cc1nn(CCC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000600312358 449314692 /nfs/dbraw/zinc/31/46/92/449314692.db2.gz FSIZGJIQACXTJD-AWEZNQCLSA-N 1 0 337.424 1.646 20 5 EDBDRO CN(CC[NH+]1CCCCC1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000593516032 449320504 /nfs/dbraw/zinc/32/05/04/449320504.db2.gz KYGYNKBGXBLEFX-UHFFFAOYSA-N 1 0 342.421 1.164 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NCC[C@@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000595950789 449276938 /nfs/dbraw/zinc/27/69/38/449276938.db2.gz MKVTVQQQNJEVQD-CYBMUJFWSA-N 1 0 336.392 1.123 20 5 EDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCNC1=O ZINC000590971791 449363032 /nfs/dbraw/zinc/36/30/32/449363032.db2.gz MNUMZCILFZIWNF-RYUDHWBXSA-N 1 0 334.376 1.428 20 5 EDBDRO O=C([C@H]1CC[N@@H+]1C1CCCC1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000602134396 449371711 /nfs/dbraw/zinc/37/17/11/449371711.db2.gz WOHJYUWTYZSWEE-MRXNPFEDSA-N 1 0 330.388 1.891 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000596048689 449336274 /nfs/dbraw/zinc/33/62/74/449336274.db2.gz BVYPNVDDZSGYGG-JTQLQIEISA-N 1 0 341.311 1.413 20 5 EDBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC[NH+](C)C ZINC000596055675 449339449 /nfs/dbraw/zinc/33/94/49/449339449.db2.gz LTVCBIZEDOTANA-UHFFFAOYSA-N 1 0 330.410 1.257 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598510242 449434421 /nfs/dbraw/zinc/43/44/21/449434421.db2.gz OUPOGCWCVZILSA-AWEZNQCLSA-N 1 0 329.360 1.182 20 5 EDBDRO C[C@H]1C[C@H](Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000596144465 449383854 /nfs/dbraw/zinc/38/38/54/449383854.db2.gz FDXVLRMKDPYMRQ-GXSJLCMTSA-N 1 0 328.394 1.137 20 5 EDBDRO C[C@H]1CCCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000598663769 449525884 /nfs/dbraw/zinc/52/58/84/449525884.db2.gz GPTCIELGAVSFID-SMDDNHRTSA-N 1 0 349.391 1.302 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000612030436 449528093 /nfs/dbraw/zinc/52/80/93/449528093.db2.gz HDILVIJBGVJZRW-LSDHHAIUSA-N 1 0 346.387 1.868 20 5 EDBDRO C[C@@H]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000598667586 449529831 /nfs/dbraw/zinc/52/98/31/449529831.db2.gz GLJZANZJKCIEDW-NEPJUHHUSA-N 1 0 349.391 1.160 20 5 EDBDRO Cc1cccc2c1C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CO2 ZINC000600747353 449530605 /nfs/dbraw/zinc/53/06/05/449530605.db2.gz LDXIJNYHRBCEDI-GXTWGEPZSA-N 1 0 332.360 1.054 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000596553438 449550159 /nfs/dbraw/zinc/55/01/59/449550159.db2.gz SNJIRZCSRXVYJC-ZDUSSCGKSA-N 1 0 341.371 1.775 20 5 EDBDRO CC[C@H](NCc1cn([C@@H]2CC[NH2+]C2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000600707568 449508397 /nfs/dbraw/zinc/50/83/97/449508397.db2.gz BRKGZBBOAUEYLS-CVEARBPZSA-N 1 0 330.392 1.962 20 5 EDBDRO O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000594428019 449511448 /nfs/dbraw/zinc/51/14/48/449511448.db2.gz KPKYSUPPHMQBRI-WMLDXEAASA-N 1 0 345.403 1.028 20 5 EDBDRO CO[C@H]1CN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@](C)(C[NH3+])C1 ZINC000600882156 449585306 /nfs/dbraw/zinc/58/53/06/449585306.db2.gz BWIFYBGYNKRJAZ-ABAIWWIYSA-N 1 0 339.417 1.895 20 5 EDBDRO COc1cccc([N+](=O)[O-])c1N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000594556283 449574970 /nfs/dbraw/zinc/57/49/70/449574970.db2.gz LYHUJOMBUKEZHU-CQSZACIVSA-N 1 0 334.420 1.820 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000602427777 449578597 /nfs/dbraw/zinc/57/85/97/449578597.db2.gz BDJYMPJOYOKVFU-NSHDSACASA-N 1 0 347.350 1.601 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594495723 449556970 /nfs/dbraw/zinc/55/69/70/449556970.db2.gz USHITCYILPYYFF-INIZCTEOSA-N 1 0 335.404 1.946 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598714722 449558934 /nfs/dbraw/zinc/55/89/34/449558934.db2.gz JLCAQAQHXPDKJI-ZYHUDNBSSA-N 1 0 327.406 1.569 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000598716216 449559745 /nfs/dbraw/zinc/55/97/45/449559745.db2.gz BHUUICFAVLWLPD-GFCCVEGCSA-N 1 0 327.406 1.490 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598721103 449562978 /nfs/dbraw/zinc/56/29/78/449562978.db2.gz SGNYUSSGLQKFGX-PWSUYJOCSA-N 1 0 327.406 1.712 20 5 EDBDRO CCC[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000602484585 449626768 /nfs/dbraw/zinc/62/67/68/449626768.db2.gz NOPLMVDZRPMWKO-AWEZNQCLSA-N 1 0 325.413 1.261 20 5 EDBDRO C[NH2+]CCOCCN(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000602549478 449667840 /nfs/dbraw/zinc/66/78/40/449667840.db2.gz WPOLPUIXWXZMMI-UHFFFAOYSA-N 1 0 327.406 1.381 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c(C)cc1[N+](=O)[O-] ZINC000599106135 449737757 /nfs/dbraw/zinc/73/77/57/449737757.db2.gz SHDZSFYMNDAQRF-VXGBXAGGSA-N 1 0 327.406 1.630 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000599106049 449737859 /nfs/dbraw/zinc/73/78/59/449737859.db2.gz UIMLGIUFOSKEMX-CYBMUJFWSA-N 1 0 343.405 1.222 20 5 EDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCN2CCCS2(=O)=O)c(F)c1 ZINC000601137098 449710639 /nfs/dbraw/zinc/71/06/39/449710639.db2.gz SQFHHNWPRZCGJB-UHFFFAOYSA-N 1 0 331.369 1.249 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)c1[N+](=O)[O-] ZINC000599103189 449734579 /nfs/dbraw/zinc/73/45/79/449734579.db2.gz PKYZPRYADLCYMC-GFCCVEGCSA-N 1 0 339.417 1.775 20 5 EDBDRO O=[N+]([O-])c1ccc2nccc(NC[C@H](O)C[NH+]3CCCCC3)c2c1 ZINC000601104870 449692430 /nfs/dbraw/zinc/69/24/30/449692430.db2.gz JWQFBGGYJPSHKP-AWEZNQCLSA-N 1 0 330.388 1.824 20 5 EDBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602591854 449692884 /nfs/dbraw/zinc/69/28/84/449692884.db2.gz ORFBDAJHRGCCHO-ONGXEEELSA-N 1 0 331.307 1.106 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000599005458 449692994 /nfs/dbraw/zinc/69/29/94/449692994.db2.gz FKQQHIPDNZCMIO-QGZVFWFLSA-N 1 0 342.399 1.980 20 5 EDBDRO C/C=C/CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000599172768 449779064 /nfs/dbraw/zinc/77/90/64/449779064.db2.gz UAVLKTYUAOVQGY-SNAWJCMRSA-N 1 0 342.421 1.423 20 5 EDBDRO CCC1([NH+]2CCOCC2)CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000599182844 449783613 /nfs/dbraw/zinc/78/36/13/449783613.db2.gz DOVBLOQRNWPTBL-UHFFFAOYSA-N 1 0 335.408 1.653 20 5 EDBDRO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000599107861 449739970 /nfs/dbraw/zinc/73/99/70/449739970.db2.gz WOFRVXSAOCJPTG-GFCCVEGCSA-N 1 0 331.369 1.352 20 5 EDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602680731 449747479 /nfs/dbraw/zinc/74/74/79/449747479.db2.gz RYJZJPPOMXRJEC-CABCVRRESA-N 1 0 348.403 1.890 20 5 EDBDRO C[C@@H](C(=O)NCCCN1CCC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617728977 449788420 /nfs/dbraw/zinc/78/84/20/449788420.db2.gz BTLUYFZVCGZHCL-OAHLLOKOSA-N 1 0 348.447 1.842 20 5 EDBDRO C[C@H](O)CN1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000601244051 449770820 /nfs/dbraw/zinc/77/08/20/449770820.db2.gz KYXNMKKLIUSUKS-QWRGUYRKSA-N 1 0 325.340 1.261 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000602796964 449817304 /nfs/dbraw/zinc/81/73/04/449817304.db2.gz LDEMGXUCCLFNBQ-QLFBSQMISA-N 1 0 337.424 1.283 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000601351423 449865282 /nfs/dbraw/zinc/86/52/82/449865282.db2.gz GVNRZRRTGCZUFC-OCCSQVGLSA-N 1 0 339.417 1.666 20 5 EDBDRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1F ZINC000597204001 449868857 /nfs/dbraw/zinc/86/88/57/449868857.db2.gz BWKQKXFGWBRVFN-UHFFFAOYSA-N 1 0 326.372 1.186 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601359677 449873033 /nfs/dbraw/zinc/87/30/33/449873033.db2.gz LJFUEZOXXXEAIH-NSHDSACASA-N 1 0 347.462 1.927 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c(C)cc1[N+](=O)[O-] ZINC000595108626 449873042 /nfs/dbraw/zinc/87/30/42/449873042.db2.gz MXEZKXPVMSOBOD-VXGBXAGGSA-N 1 0 327.406 1.760 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC2([NH3+])CCCC2)c1 ZINC000595119516 449880212 /nfs/dbraw/zinc/88/02/12/449880212.db2.gz DBEVCXKIHHMCBZ-UHFFFAOYSA-N 1 0 327.406 1.761 20 5 EDBDRO CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000595129567 449888054 /nfs/dbraw/zinc/88/80/54/449888054.db2.gz CYOMIQLOPYAIKY-AWEZNQCLSA-N 1 0 334.376 1.476 20 5 EDBDRO CS[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000601380467 449896579 /nfs/dbraw/zinc/89/65/79/449896579.db2.gz VNZUKZUEYNYEDD-RYUDHWBXSA-N 1 0 327.381 1.852 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000601344030 449853221 /nfs/dbraw/zinc/85/32/21/449853221.db2.gz SAILWWHAEBQNQZ-JQWIXIFHSA-N 1 0 343.380 1.415 20 5 EDBDRO C[NH+](C)CCn1cc(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cn1 ZINC000608778913 449934297 /nfs/dbraw/zinc/93/42/97/449934297.db2.gz DZRFKUHHYXUWIZ-UHFFFAOYSA-N 1 0 344.375 1.981 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c([N+](=O)[O-])s1 ZINC000601419810 449936433 /nfs/dbraw/zinc/93/64/33/449936433.db2.gz OBGDSJYKPKUHSA-ZJUUUORDSA-N 1 0 331.419 1.289 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000601419190 449936621 /nfs/dbraw/zinc/93/66/21/449936621.db2.gz FPAOZSVFCSJGIE-GXFFZTMASA-N 1 0 343.380 1.367 20 5 EDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)cncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602951914 449953493 /nfs/dbraw/zinc/95/34/93/449953493.db2.gz LZUSNBWZBOCJQP-CHWSQXEVSA-N 1 0 335.408 1.914 20 5 EDBDRO C[C@@]1(CO)C[C@H](O)CN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000602899750 449905820 /nfs/dbraw/zinc/90/58/20/449905820.db2.gz RQTMBEPRBJKICR-AAEUAGOBSA-N 1 0 334.294 1.931 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000599412194 449957769 /nfs/dbraw/zinc/95/77/69/449957769.db2.gz GZVWBGOHRCODKG-CYBMUJFWSA-N 1 0 341.433 1.913 20 5 EDBDRO C[C@](CO)([NH2+]C[C@@H](O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000602961460 449961955 /nfs/dbraw/zinc/96/19/55/449961955.db2.gz ADMFQVBLOOIIOY-ZWKOTPCHSA-N 1 0 330.384 1.996 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC2([NH+](C)C)CC2)c1 ZINC000601450024 449974237 /nfs/dbraw/zinc/97/42/37/449974237.db2.gz GIWRTXKHCJEENL-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO Cn1c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000595271408 449992014 /nfs/dbraw/zinc/99/20/14/449992014.db2.gz ZVTMCEQNCDUQID-ZIAGYGMSSA-N 1 0 328.372 1.809 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000615187941 449994912 /nfs/dbraw/zinc/99/49/12/449994912.db2.gz TYGJKIGWEQDVQB-LBPRGKRZSA-N 1 0 348.403 1.688 20 5 EDBDRO COCCN1CC[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000609354240 450018684 /nfs/dbraw/zinc/01/86/84/450018684.db2.gz YKFVBRSTDUEMQW-ZDUSSCGKSA-N 1 0 337.376 1.176 20 5 EDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000597437920 450020792 /nfs/dbraw/zinc/02/07/92/450020792.db2.gz ASINCBFXKBYKFX-OAHLLOKOSA-N 1 0 332.404 1.921 20 5 EDBDRO COc1ccc(CC(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000601559648 450072716 /nfs/dbraw/zinc/07/27/16/450072716.db2.gz VMANGFHBWHHRHN-KGLIPLIRSA-N 1 0 333.388 1.746 20 5 EDBDRO C[C@@](CO)([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000609483836 450035626 /nfs/dbraw/zinc/03/56/26/450035626.db2.gz JVVKSUZJKCKXGE-WMZOPIPTSA-N 1 0 346.383 1.832 20 5 EDBDRO CC(C)(C)c1ncc2c(n1)CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000599525994 450043642 /nfs/dbraw/zinc/04/36/42/450043642.db2.gz XMPNPMMXDVSHEK-UHFFFAOYSA-N 1 0 330.392 1.937 20 5 EDBDRO CO[C@H](C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@@H]1CCOC1 ZINC000595371013 450084853 /nfs/dbraw/zinc/08/48/53/450084853.db2.gz MYDPVPKBMCAANC-VNHYZAJKSA-N 1 0 336.392 1.528 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601584676 450092458 /nfs/dbraw/zinc/09/24/58/450092458.db2.gz RYQKVYCMKHQKTQ-UHFFFAOYSA-N 1 0 326.372 1.347 20 5 EDBDRO C[NH+](C)CC[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000610264321 450175297 /nfs/dbraw/zinc/17/52/97/450175297.db2.gz MBGAZYFTRYDPEM-LBPRGKRZSA-N 1 0 344.437 1.635 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)n1 ZINC000610484828 450238875 /nfs/dbraw/zinc/23/88/75/450238875.db2.gz AHUBUOMYNRHAFL-HUUCEWRRSA-N 1 0 327.388 1.860 20 5 EDBDRO C[C@@H]1CC[C@@H](C[NH3+])N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000603431217 450300006 /nfs/dbraw/zinc/30/00/06/450300006.db2.gz FOJGVCPVEIVPQL-WWGRRREGSA-N 1 0 346.431 1.932 20 5 EDBDRO Cc1[nH]nc(C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)c1[N+](=O)[O-] ZINC000610764799 450327615 /nfs/dbraw/zinc/32/76/15/450327615.db2.gz TYSWFSYSMPSABL-LLVKDONJSA-N 1 0 345.359 1.596 20 5 EDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000619872074 450348864 /nfs/dbraw/zinc/34/88/64/450348864.db2.gz YOEQCJXWAAWANC-AWEZNQCLSA-N 1 0 333.388 1.922 20 5 EDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000619874090 450349416 /nfs/dbraw/zinc/34/94/16/450349416.db2.gz YPLPEBIGRHNNIK-MRXNPFEDSA-N 1 0 332.404 1.034 20 5 EDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603909539 450376052 /nfs/dbraw/zinc/37/60/52/450376052.db2.gz CDPBTVZJVQAALG-MXWKQRLJSA-N 1 0 338.795 1.726 20 5 EDBDRO CC[C@@]1([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000616865987 450504523 /nfs/dbraw/zinc/50/45/23/450504523.db2.gz FRHVHKFFFINBQZ-CQSZACIVSA-N 1 0 328.390 1.527 20 5 EDBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638911631 451733305 /nfs/dbraw/zinc/73/33/05/451733305.db2.gz VUPFXQGJSJCTLH-KBPBESRZSA-N 1 0 333.391 1.727 20 5 EDBDRO O=C(NC[C@H]1COCC[NH2+]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000232487680 486180739 /nfs/dbraw/zinc/18/07/39/486180739.db2.gz APKWIHQFEVPNCM-JTQLQIEISA-N 1 0 344.165 1.076 20 5 EDBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000184387449 533904709 /nfs/dbraw/zinc/90/47/09/533904709.db2.gz RXIQRVIDKONMPH-SBJJXXPASA-N 1 0 346.431 1.750 20 5 EDBDRO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178657151 533988593 /nfs/dbraw/zinc/98/85/93/533988593.db2.gz YBVVETLETNZQAD-XHDPSFHLSA-N 1 0 329.360 1.784 20 5 EDBDRO COc1ccc(NC(=O)CC[N@H+](C)CC2(CO)CC2)c([N+](=O)[O-])c1 ZINC000186775388 534063942 /nfs/dbraw/zinc/06/39/42/534063942.db2.gz ITCXMLOKNIWSQK-UHFFFAOYSA-N 1 0 337.376 1.636 20 5 EDBDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000185203898 526467576 /nfs/dbraw/zinc/46/75/76/526467576.db2.gz WTSRRWJYOXLGJG-CYBMUJFWSA-N 1 0 339.396 1.684 20 5 EDBDRO CCOc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000187187461 528595353 /nfs/dbraw/zinc/59/53/53/528595353.db2.gz BCLPTKLMWVILJC-SNVBAGLBSA-N 1 0 331.394 1.193 20 5 EDBDRO CC1(C)CC(NC(=O)NCCn2cc([N+](=O)[O-])cn2)CC(C)(C)[NH2+]1 ZINC000132977117 528887361 /nfs/dbraw/zinc/88/73/61/528887361.db2.gz WWODWXVINWIQGX-UHFFFAOYSA-N 1 0 338.412 1.400 20 5 EDBDRO C[NH+](C)CCOc1ccc(CCNc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC000264181016 535903398 /nfs/dbraw/zinc/90/33/98/535903398.db2.gz ZCSMCZCBHVYNPR-UHFFFAOYSA-N 1 0 346.391 1.562 20 5 EDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000246663533 536470015 /nfs/dbraw/zinc/47/00/15/536470015.db2.gz LTRGFXOPGJLJPC-UONOGXRCSA-N 1 0 333.388 1.916 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CSC[C@@H]2C)cc1[N+](=O)[O-] ZINC000353030704 536477156 /nfs/dbraw/zinc/47/71/56/536477156.db2.gz AXKBRVJCTZKZOO-JQWIXIFHSA-N 1 0 340.401 1.988 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000742075075 579434313 /nfs/dbraw/zinc/43/43/13/579434313.db2.gz RJSCKQVKHCHZQK-QGZVFWFLSA-N 1 0 347.415 1.897 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](O)c2cccc(Cl)c2)c1 ZINC000743261551 579474389 /nfs/dbraw/zinc/47/43/89/579474389.db2.gz VCHSALMWWTXDOG-UONOGXRCSA-N 1 0 340.767 1.129 20 5 EDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000725897733 578302292 /nfs/dbraw/zinc/30/22/92/578302292.db2.gz UKAJCHVAJZRZMB-ZIAGYGMSSA-N 1 0 345.355 1.934 20 5 EDBDRO Cc1cn(CN2CC[C@@H]([NH+](C)C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000728711674 578550975 /nfs/dbraw/zinc/55/09/75/578550975.db2.gz VEYRZEBEQSXDPF-CQSZACIVSA-N 1 0 345.403 1.449 20 5 EDBDRO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CC[NH+](C2CCC2)CC1 ZINC000733297260 578758235 /nfs/dbraw/zinc/75/82/35/578758235.db2.gz KCXHAQSKFOLTQE-UHFFFAOYSA-N 1 0 344.371 1.318 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000737004913 579039703 /nfs/dbraw/zinc/03/97/03/579039703.db2.gz PRSLWDKQIJQJKX-LBPRGKRZSA-N 1 0 347.379 1.298 20 5 EDBDRO Cc1n[nH]c(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000738523950 579190636 /nfs/dbraw/zinc/19/06/36/579190636.db2.gz URKCYCCEYWIEBP-UHFFFAOYSA-N 1 0 331.376 1.960 20 5 EDBDRO CS(=O)(=O)N1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761519907 580058592 /nfs/dbraw/zinc/05/85/92/580058592.db2.gz KRGCRTQRJUSOKX-NSHDSACASA-N 1 0 347.824 1.762 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000746526012 579599465 /nfs/dbraw/zinc/59/94/65/579599465.db2.gz VTIZSESONCVQIE-ZDUSSCGKSA-N 1 0 345.403 1.793 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC[S@](C)=O ZINC000766049990 580157565 /nfs/dbraw/zinc/15/75/65/580157565.db2.gz NUXYCAUBZVCSEY-SAHAZLINSA-N 1 0 327.406 1.670 20 5 EDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cs1 ZINC000768835581 580221736 /nfs/dbraw/zinc/22/17/36/580221736.db2.gz HCBKUBKKIAJCJL-NSHDSACASA-N 1 0 345.446 1.905 20 5 EDBDRO C[C@H](NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000774708178 580371577 /nfs/dbraw/zinc/37/15/77/580371577.db2.gz RLJUIMCXCUWRDU-MELADBBJSA-N 1 0 348.403 1.818 20 5 EDBDRO C[C@@H]1CN(CCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000776277268 580413776 /nfs/dbraw/zinc/41/37/76/580413776.db2.gz QGURXYSYIKQRKL-CKEIUWERSA-N 1 0 337.420 1.717 20 5 EDBDRO COc1ccccc1[C@H](O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279650 580413930 /nfs/dbraw/zinc/41/39/30/580413930.db2.gz YKZOXQUQJVMQKZ-JKSUJKDBSA-N 1 0 332.356 1.960 20 5 EDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000778295971 580461150 /nfs/dbraw/zinc/46/11/50/580461150.db2.gz YVBCSIPHHLLMHE-SECBINFHSA-N 1 0 335.389 1.671 20 5 EDBDRO C[N@H+](CCNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000781609832 580553282 /nfs/dbraw/zinc/55/32/82/580553282.db2.gz FPAQJCNYQVBFLI-UHFFFAOYSA-N 1 0 336.348 1.646 20 5 EDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000783920725 580608475 /nfs/dbraw/zinc/60/84/75/580608475.db2.gz OCXVMISOUUMZSF-CYBMUJFWSA-N 1 0 343.387 1.995 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000784724858 580627249 /nfs/dbraw/zinc/62/72/49/580627249.db2.gz SQKNECQPFCUATB-GHMZBOCLSA-N 1 0 331.369 1.495 20 5 EDBDRO COCC[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCOC1 ZINC000792882649 580830098 /nfs/dbraw/zinc/83/00/98/580830098.db2.gz VWONYSGCIAVQBE-CQSZACIVSA-N 1 0 325.321 1.788 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000804808905 590776746 /nfs/dbraw/zinc/77/67/46/590776746.db2.gz MPHBBDFMIOOZPI-OCCSQVGLSA-N 1 0 348.403 1.254 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891396012 591066877 /nfs/dbraw/zinc/06/68/77/591066877.db2.gz DDIRWLCSVGXGJV-KBPBESRZSA-N 1 0 334.376 1.639 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC1(OCCO)CCOCC1 ZINC000894261241 591253754 /nfs/dbraw/zinc/25/37/54/591253754.db2.gz KCTWVNPXYFLWEX-UHFFFAOYSA-N 1 0 344.795 1.896 20 5 EDBDRO O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@H]1C[N@@H+]2CCN1CCC2 ZINC000898462176 591363547 /nfs/dbraw/zinc/36/35/47/591363547.db2.gz NGHXIALBVIXHEY-OAHLLOKOSA-N 1 0 341.371 1.471 20 5 EDBDRO CCOC(=O)c1ccnc(N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000894796822 591420086 /nfs/dbraw/zinc/42/00/86/591420086.db2.gz FDKWXJWDLURCLL-CALCHBBNSA-N 1 0 348.403 1.945 20 5 EDBDRO CNc1ccc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000896582718 591540681 /nfs/dbraw/zinc/54/06/81/591540681.db2.gz YHEOOJBMNUQLBU-IAQYHMDHSA-N 1 0 335.408 1.001 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000895274290 591695344 /nfs/dbraw/zinc/69/53/44/591695344.db2.gz HUPBVCPSZVFZPH-NSHDSACASA-N 1 0 344.375 1.383 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898124201 591789792 /nfs/dbraw/zinc/78/97/92/591789792.db2.gz GVJKDDBACUAYLO-UHFFFAOYSA-N 1 0 333.388 1.562 20 5 EDBDRO CO[C@@H]1CC[C@@H]1N(C)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000902635698 592033041 /nfs/dbraw/zinc/03/30/41/592033041.db2.gz BDWWJLPKXFNKMU-JKSUJKDBSA-N 1 0 346.387 1.922 20 5 EDBDRO O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000902641070 592034807 /nfs/dbraw/zinc/03/48/07/592034807.db2.gz URRMUVWLOPPKRU-IAGOWNOFSA-N 1 0 345.403 1.433 20 5 EDBDRO [NH3+]CC[C@H]1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000900475935 592035729 /nfs/dbraw/zinc/03/57/29/592035729.db2.gz UMFZVCAKCDBYOI-JTQLQIEISA-N 1 0 329.303 1.764 20 5 EDBDRO O=C1[C@H](N[C@@H]2CC[NH2+]C23CCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000903469722 592175088 /nfs/dbraw/zinc/17/50/88/592175088.db2.gz BAUZAHVDEXFOQD-HUUCEWRRSA-N 1 0 330.388 1.574 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@]23CC[NH2+]C3)cc1 ZINC000903595954 592237866 /nfs/dbraw/zinc/23/78/66/592237866.db2.gz NCRGHUZYCRESOY-CQSZACIVSA-N 1 0 325.390 1.253 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000903596713 592237960 /nfs/dbraw/zinc/23/79/60/592237960.db2.gz SCCSOAQRPKGOLD-CQSZACIVSA-N 1 0 325.390 1.420 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC[N@@H+]1C ZINC000906797342 592348634 /nfs/dbraw/zinc/34/86/34/592348634.db2.gz HIOMTSWYLOFSBF-NWDGAFQWSA-N 1 0 349.387 1.969 20 5 EDBDRO O=[N+]([O-])CC[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000905140623 592433913 /nfs/dbraw/zinc/43/39/13/592433913.db2.gz XIRUENGIPRMBOY-UHFFFAOYSA-N 1 0 347.462 1.332 20 5 EDBDRO C[C@@H]1C[C@]2(CC[C@H](C[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)O2)CO1 ZINC000905484139 592539508 /nfs/dbraw/zinc/53/95/08/592539508.db2.gz GNVWKVYDBFEQKV-VDNDLQMASA-N 1 0 336.388 1.944 20 5 EDBDRO CO[C@]1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCSC1 ZINC000905546990 592558073 /nfs/dbraw/zinc/55/80/73/592558073.db2.gz QTFRFGIINCFOSV-WFASDCNBSA-N 1 0 342.417 1.446 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCSC3(CCC3)C2)c1 ZINC000905599737 592587285 /nfs/dbraw/zinc/58/72/85/592587285.db2.gz AXLPNYNPMLETMC-YPMHNXCESA-N 1 0 326.422 1.560 20 5 EDBDRO Cc1nn(C)c(N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000905703006 592616220 /nfs/dbraw/zinc/61/62/20/592616220.db2.gz IWAKUXLZUJMBOH-OKILXGFUSA-N 1 0 334.424 1.042 20 5 EDBDRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(c1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000905693304 592623894 /nfs/dbraw/zinc/62/38/94/592623894.db2.gz LWFHBCJKZVKGES-QQXLSSBLSA-N 1 0 341.314 1.590 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000907548060 592702404 /nfs/dbraw/zinc/70/24/04/592702404.db2.gz KIUMNGRUGALILR-DOMZBBRYSA-N 1 0 339.417 1.475 20 5 EDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906360378 592804859 /nfs/dbraw/zinc/80/48/59/592804859.db2.gz WCQOSWMPOPBOFL-LLVKDONJSA-N 1 0 335.360 1.438 20 5 EDBDRO C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000911736554 592993359 /nfs/dbraw/zinc/99/33/59/592993359.db2.gz LOVLTIBDRXKKFP-XHDPSFHLSA-N 1 0 332.360 1.298 20 5 EDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000911883002 593030353 /nfs/dbraw/zinc/03/03/53/593030353.db2.gz MEMPNRQGFRXJLK-CABZTGNLSA-N 1 0 325.390 1.505 20 5 EDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])C(F)(F)C1CC[NH2+]CC1 ZINC000912114614 593062721 /nfs/dbraw/zinc/06/27/21/593062721.db2.gz WFLWFWPMXQYFQY-UHFFFAOYSA-N 1 0 342.346 1.758 20 5 EDBDRO CC[C@@H]1C[N@H+](C)CCN1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000840092965 593167934 /nfs/dbraw/zinc/16/79/34/593167934.db2.gz CYSSRYUOZVZISF-CQSZACIVSA-N 1 0 330.392 1.837 20 5 EDBDRO O=C([C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1)N1CCCC1 ZINC000808207942 593239354 /nfs/dbraw/zinc/23/93/54/593239354.db2.gz RYDURWIIZHLISZ-CYBMUJFWSA-N 1 0 343.387 1.846 20 5 EDBDRO CO[C@@H]1COC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000839199452 593275778 /nfs/dbraw/zinc/27/57/78/593275778.db2.gz AJMDDDQTXYOELQ-QWHCGFSZSA-N 1 0 327.312 1.066 20 5 EDBDRO C[C@@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H](C)C[N@@H+]1C ZINC000768845145 593442364 /nfs/dbraw/zinc/44/23/64/593442364.db2.gz DYDZMIKGCNNDIT-NEPJUHHUSA-N 1 0 331.376 1.496 20 5 EDBDRO O=C(C[NH2+]C[C@H]1CCCO1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000818432989 593697906 /nfs/dbraw/zinc/69/79/06/593697906.db2.gz HEUOYQPVICFYGW-GFCCVEGCSA-N 1 0 327.768 1.633 20 5 EDBDRO O=C(NCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000818955789 593730398 /nfs/dbraw/zinc/73/03/98/593730398.db2.gz DXAGSHKYQHJNFX-HNNXBMFYSA-N 1 0 330.344 1.043 20 5 EDBDRO CS(=O)(=O)C1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000819307624 593749751 /nfs/dbraw/zinc/74/97/51/593749751.db2.gz BNOGHSOASOSPLB-AWEZNQCLSA-N 1 0 342.417 1.575 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000819310674 593749955 /nfs/dbraw/zinc/74/99/55/593749955.db2.gz CQKRINTXPPVSTQ-BXUZGUMPSA-N 1 0 328.390 1.043 20 5 EDBDRO CC(C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1(O)CCOCC1 ZINC000819374486 593752374 /nfs/dbraw/zinc/75/23/74/593752374.db2.gz MCPAQJNOWYVUET-OAHLLOKOSA-N 1 0 338.404 1.786 20 5 EDBDRO C[NH+](C)[C@@]1(CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CCSC1 ZINC000821581675 593868180 /nfs/dbraw/zinc/86/81/80/593868180.db2.gz RWWCTBAODZMLCF-CQSZACIVSA-N 1 0 349.420 1.624 20 5 EDBDRO C[NH+]1CCC2(CC1)CN(C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)CCO2 ZINC000823926609 593889177 /nfs/dbraw/zinc/88/91/77/593889177.db2.gz DPPIDYJTHJLLFP-UHFFFAOYSA-N 1 0 349.391 1.506 20 5 EDBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000820984522 593935928 /nfs/dbraw/zinc/93/59/28/593935928.db2.gz DCIVIVLLSCTWHL-GVDBMIGSSA-N 1 0 347.415 1.661 20 5 EDBDRO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000824649074 594050855 /nfs/dbraw/zinc/05/08/55/594050855.db2.gz BAHTZZQJMLGAGE-INIZCTEOSA-N 1 0 333.388 1.715 20 5 EDBDRO C[C@@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000825079206 594127178 /nfs/dbraw/zinc/12/71/78/594127178.db2.gz NXTCSHLSBLSCGK-DVOMOZLQSA-N 1 0 335.404 1.865 20 5 EDBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825505763 594194145 /nfs/dbraw/zinc/19/41/45/594194145.db2.gz ULJOMTMJNKRBBB-OAHLLOKOSA-N 1 0 335.404 1.961 20 5 EDBDRO Cc1ccc(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c([N+](=O)[O-])c1 ZINC000829352276 594601195 /nfs/dbraw/zinc/60/11/95/594601195.db2.gz BFIALPHXBPPODN-CQSZACIVSA-N 1 0 332.404 1.694 20 5 EDBDRO CC[NH+](CC)CCOCCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000832137778 594729391 /nfs/dbraw/zinc/72/93/91/594729391.db2.gz XABJHJUWKGFWRV-UHFFFAOYSA-N 1 0 327.356 1.822 20 5 EDBDRO COc1cc(C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000832224844 594736595 /nfs/dbraw/zinc/73/65/95/594736595.db2.gz HJDSDXSQTNHWPN-WDEREUQCSA-N 1 0 337.351 1.766 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc([N+](=O)[O-])c1F ZINC000832272782 594739527 /nfs/dbraw/zinc/73/95/27/594739527.db2.gz NDLCKCYRWLVOIZ-MFKMUULPSA-N 1 0 343.380 1.367 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000832690428 594769281 /nfs/dbraw/zinc/76/92/81/594769281.db2.gz GXTXJCQGXZUAJM-IINYFYTJSA-N 1 0 334.332 1.588 20 5 EDBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841150905 594859400 /nfs/dbraw/zinc/85/94/00/594859400.db2.gz XCWIWTMZDDHLOX-MRVPVSSYSA-N 1 0 326.740 1.007 20 5 EDBDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000841193587 594866213 /nfs/dbraw/zinc/86/62/13/594866213.db2.gz BANUEHPWGBRRKM-JTQLQIEISA-N 1 0 340.355 1.615 20 5 EDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000842163363 595026958 /nfs/dbraw/zinc/02/69/58/595026958.db2.gz NAYXPQKXMDFYKL-VXGBXAGGSA-N 1 0 338.364 1.390 20 5 EDBDRO Cc1nc([N+](=O)[O-])c(-c2noc(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)n1C ZINC000843221604 595041935 /nfs/dbraw/zinc/04/19/35/595041935.db2.gz KQOHEPZWQVGMSQ-FGWVZKOKSA-N 1 0 332.364 1.760 20 5 EDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3C[NH2+]Cc4ccccc43)n2)n1C ZINC000843222838 595043104 /nfs/dbraw/zinc/04/31/04/595043104.db2.gz VZMRENNNAUAXOC-LBPRGKRZSA-N 1 0 340.343 1.922 20 5 EDBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](C[NH3+])C1 ZINC000843346711 595082421 /nfs/dbraw/zinc/08/24/21/595082421.db2.gz PXPYUQBVGTZSMY-ZJUUUORDSA-N 1 0 326.784 1.856 20 5 EDBDRO C[C@@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000843353467 595084393 /nfs/dbraw/zinc/08/43/93/595084393.db2.gz JIOUSHDNUUYEHV-BXKDBHETSA-N 1 0 326.784 1.856 20 5 EDBDRO Nc1ccc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC000843455553 595116420 /nfs/dbraw/zinc/11/64/20/595116420.db2.gz QVKYGSZTYZVQPZ-NSHDSACASA-N 1 0 327.344 1.640 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC2([NH3+])CCC2)c1 ZINC000842758670 595190480 /nfs/dbraw/zinc/19/04/80/595190480.db2.gz LLVOWTHFLXLWHD-UHFFFAOYSA-N 1 0 333.797 1.716 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc([N+](=O)[O-])c1F ZINC000842788838 595199535 /nfs/dbraw/zinc/19/95/35/595199535.db2.gz MITDRLASXIRBHU-UWVGGRQHSA-N 1 0 331.369 1.400 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000846320486 595205331 /nfs/dbraw/zinc/20/53/31/595205331.db2.gz BPDUUAJFJNMGSC-UHFFFAOYSA-N 1 0 338.339 1.226 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000842813964 595207490 /nfs/dbraw/zinc/20/74/90/595207490.db2.gz BPRKBTQMLMRFNX-UWVGGRQHSA-N 1 0 347.824 1.975 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000842833971 595212101 /nfs/dbraw/zinc/21/21/01/595212101.db2.gz PBRBAVBJMCVXIG-MWLCHTKSSA-N 1 0 347.824 1.833 20 5 EDBDRO Cc1cccc([C@@H](O)C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000843088407 595284070 /nfs/dbraw/zinc/28/40/70/595284070.db2.gz NFSNZSCHVDHBSR-AEFFLSMTSA-N 1 0 346.383 1.966 20 5 EDBDRO Cc1cccc([C@@H](O)C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000843086429 595284111 /nfs/dbraw/zinc/28/41/11/595284111.db2.gz GDDOFIZGUCEIAL-RDJZCZTQSA-N 1 0 346.383 1.966 20 5 EDBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000846970131 595344619 /nfs/dbraw/zinc/34/46/19/595344619.db2.gz HHFDAFAKDZECNO-AWEZNQCLSA-N 1 0 345.403 1.887 20 5 EDBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000844643243 595366520 /nfs/dbraw/zinc/36/65/20/595366520.db2.gz HYPRYUUOROLRBT-YNEHKIRRSA-N 1 0 345.403 1.884 20 5 EDBDRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000850593411 595543026 /nfs/dbraw/zinc/54/30/26/595543026.db2.gz PSCXPMYKRIXIOH-SNVBAGLBSA-N 1 0 335.813 1.900 20 5 EDBDRO [NH3+]CC1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000857762796 595598939 /nfs/dbraw/zinc/59/89/39/595598939.db2.gz DFJMANDHPKBOTG-UHFFFAOYSA-N 1 0 329.303 1.764 20 5 EDBDRO O=C(NCC1=CC[NH2+]CC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766224 595601033 /nfs/dbraw/zinc/60/10/33/595601033.db2.gz OFMULBUJWNXLIO-UHFFFAOYSA-N 1 0 327.287 1.602 20 5 EDBDRO C[C@@H](CCNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[NH+](C)C ZINC000855414808 595704812 /nfs/dbraw/zinc/70/48/12/595704812.db2.gz BTHHEIMLGCCVKW-NHYWBVRUSA-N 1 0 334.376 1.544 20 5 EDBDRO Cc1nn(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000853521953 595782790 /nfs/dbraw/zinc/78/27/90/595782790.db2.gz IHRGVUGFGXPFCG-GFCCVEGCSA-N 1 0 342.363 1.219 20 5 EDBDRO CN(CC1C[NH+](C)C1)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853555454 595799388 /nfs/dbraw/zinc/79/93/88/595799388.db2.gz WJOCJXVLQBDTCE-MRXNPFEDSA-N 1 0 332.404 1.362 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000856073180 595888233 /nfs/dbraw/zinc/88/82/33/595888233.db2.gz KSYSIBFHBBQBSW-LRDDRELGSA-N 1 0 346.387 1.688 20 5 EDBDRO CC[C@@H]1CN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C[C@H](C)[NH2+]1 ZINC000856408121 595980048 /nfs/dbraw/zinc/98/00/48/595980048.db2.gz FRCVJDCYTJMLQT-HWWQOWPSSA-N 1 0 346.387 1.687 20 5 EDBDRO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[NH2+]1 ZINC000856489560 596004056 /nfs/dbraw/zinc/00/40/56/596004056.db2.gz OURSWKYSIAWJCS-CYBMUJFWSA-N 1 0 338.383 1.870 20 5 EDBDRO [NH3+]C1(CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCOCC1 ZINC000859646746 596154989 /nfs/dbraw/zinc/15/49/89/596154989.db2.gz VEOJKDOQURPLEG-UHFFFAOYSA-N 1 0 328.756 1.878 20 5 EDBDRO COC(=O)N(C)CC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000852568353 596198861 /nfs/dbraw/zinc/19/88/61/596198861.db2.gz AFDQTSFHVFULNA-UHFFFAOYSA-N 1 0 338.364 1.553 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCN(C3CC3)C2)cc1F ZINC000866596517 596264397 /nfs/dbraw/zinc/26/43/97/596264397.db2.gz GPZVVSMOUJYQCG-JTQLQIEISA-N 1 0 343.380 1.557 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1F ZINC000866724097 596311000 /nfs/dbraw/zinc/31/10/00/596311000.db2.gz IABZTHYNJUIKQP-SNVBAGLBSA-N 1 0 345.396 1.803 20 5 EDBDRO O=C(CCC12CC(C1)C[NH2+]2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000870854675 596378472 /nfs/dbraw/zinc/37/84/72/596378472.db2.gz SSNAKBPCZBOMJZ-UHFFFAOYSA-N 1 0 344.415 1.776 20 5 EDBDRO [NH3+][C@H]1CC[C@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000870854539 596378702 /nfs/dbraw/zinc/37/87/02/596378702.db2.gz JUFLXFVBLFITRW-HDJSIYSDSA-N 1 0 332.404 1.761 20 5 EDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000870895047 596394358 /nfs/dbraw/zinc/39/43/58/596394358.db2.gz SKDAEDOQUXMDGZ-KSSFIOAISA-N 1 0 348.447 1.959 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c([N+](=O)[O-])s1 ZINC000867811436 596563475 /nfs/dbraw/zinc/56/34/75/596563475.db2.gz PQFHGRUKXQRORP-QWRGUYRKSA-N 1 0 345.446 1.679 20 5 EDBDRO COC(=O)C1=CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000863572070 596622822 /nfs/dbraw/zinc/62/28/22/596622822.db2.gz JGPQZCLYOKLBKD-GFCCVEGCSA-N 1 0 333.344 1.775 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000869814319 596646130 /nfs/dbraw/zinc/64/61/30/596646130.db2.gz JCMRRTXWBRYJKA-UHFFFAOYSA-N 1 0 327.344 1.276 20 5 EDBDRO CC[NH+](CC)CC[C@H](CO)Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865750375 596669985 /nfs/dbraw/zinc/66/99/85/596669985.db2.gz QVGPTJUAZATHTA-GFCCVEGCSA-N 1 0 329.372 1.731 20 5 EDBDRO Cc1ccc(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000868217888 596729851 /nfs/dbraw/zinc/72/98/51/596729851.db2.gz VULXMXLHYQYQOY-LSDHHAIUSA-N 1 0 348.403 1.566 20 5 EDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866454169 596889286 /nfs/dbraw/zinc/88/92/86/596889286.db2.gz GXTMVPKDJOWNHS-ZDUSSCGKSA-N 1 0 341.383 1.749 20 5 EDBDRO O=C([C@@H](F)[C@H]1CC[NH2+]C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000876553323 597237948 /nfs/dbraw/zinc/23/79/48/597237948.db2.gz NRXAGRRQZAJORY-WFASDCNBSA-N 1 0 336.367 1.191 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCCO1 ZINC000876920140 597385707 /nfs/dbraw/zinc/38/57/07/597385707.db2.gz HMPWJGNWOLUZMR-CQSZACIVSA-N 1 0 329.356 1.938 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC3(N4CCCC4)CCOCC3)C2)c1 ZINC000877018854 597412819 /nfs/dbraw/zinc/41/28/19/597412819.db2.gz RUXIIFNBZDTEDP-UHFFFAOYSA-N 1 0 349.435 1.729 20 5 EDBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877281642 597486190 /nfs/dbraw/zinc/48/61/90/597486190.db2.gz NNITTYFCPXUQCL-ZBFHGGJFSA-N 1 0 341.371 1.747 20 5 EDBDRO COc1cccc([C@@H]2CN(CCn3c(C)ncc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC000879522736 597615964 /nfs/dbraw/zinc/61/59/64/597615964.db2.gz LKFWIOUKFCAVID-INIZCTEOSA-N 1 0 345.403 1.755 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881469168 597629319 /nfs/dbraw/zinc/62/93/19/597629319.db2.gz JNOXJTHYKJXULG-OAHLLOKOSA-N 1 0 333.388 1.968 20 5 EDBDRO C[NH2+][C@@H](CC(C)C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000884052564 597978974 /nfs/dbraw/zinc/97/89/74/597978974.db2.gz SUUAOVLWDXHKCQ-AWEZNQCLSA-N 1 0 334.420 1.878 20 5 EDBDRO O=[N+]([O-])c1c(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)nc2ccccn21 ZINC000882724897 598033921 /nfs/dbraw/zinc/03/39/21/598033921.db2.gz FIXULGNRMMJNJN-CQSZACIVSA-N 1 0 345.403 1.980 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000915621022 695957911 /nfs/dbraw/zinc/95/79/11/695957911.db2.gz GRACSVDUULQTLN-HNNXBMFYSA-N 1 0 348.403 1.671 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000917909203 697105603 /nfs/dbraw/zinc/10/56/03/697105603.db2.gz QGABKHIJNKTYKA-DZGCQCFKSA-N 1 0 339.417 1.641 20 5 EDBDRO CC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCN(C(=O)c2cnon2)CC1 ZINC000940386088 700561038 /nfs/dbraw/zinc/56/10/38/700561038.db2.gz UNDJOLHNVHAPDG-UHFFFAOYSA-N 1 0 345.359 1.762 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2cnc(Cl)s2)CC1 ZINC000996429717 702783747 /nfs/dbraw/zinc/78/37/47/702783747.db2.gz ULIHSKNRIXFLEO-GHMZBOCLSA-N 1 0 344.824 1.542 20 5 EDBDRO O=C(Cn1ccnc1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997413863 703668562 /nfs/dbraw/zinc/66/85/62/703668562.db2.gz RDFKKBDFDVZJMY-UHFFFAOYSA-N 1 0 349.416 1.634 20 5 EDBDRO COc1cc(C[NH2+]C[C@@]2(OC)CCSC2)c([N+](=O)[O-])cc1O ZINC000922571958 704013546 /nfs/dbraw/zinc/01/35/46/704013546.db2.gz QASKDBBGIFLQND-AWEZNQCLSA-N 1 0 328.390 1.921 20 5 EDBDRO O=C(NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)C1=COCCO1 ZINC001002282014 708761145 /nfs/dbraw/zinc/76/11/45/708761145.db2.gz DAKJBBSZYDMCJF-UHFFFAOYSA-N 1 0 347.371 1.564 20 5 EDBDRO O=C(NC1CCN(Cc2coc(C3CC3)n2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002787917 709394137 /nfs/dbraw/zinc/39/41/37/709394137.db2.gz KXSFDMINDXKUEG-ZIAGYGMSSA-N 1 0 334.376 1.298 20 5 EDBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000558752823 306246503 /nfs/dbraw/zinc/24/65/03/306246503.db2.gz QQYZJOKHBOFERJ-UHFFFAOYSA-N 1 0 346.347 1.460 20 5 EDBDRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000131177956 529866005 /nfs/dbraw/zinc/86/60/05/529866005.db2.gz SHKITAGCQQUREJ-UHFFFAOYSA-N 1 0 341.433 1.698 20 5 EDBDRO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000131310764 530033306 /nfs/dbraw/zinc/03/33/06/530033306.db2.gz BPPYPYRRDQRXLI-CYBMUJFWSA-N 1 0 327.406 1.451 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000178010818 232058377 /nfs/dbraw/zinc/05/83/77/232058377.db2.gz KKAYQYULOLNSLH-TZMCWYRMSA-N 1 0 348.403 1.831 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178099725 232081613 /nfs/dbraw/zinc/08/16/13/232081613.db2.gz BUEIBQQCWGUQFG-HNNXBMFYSA-N 1 0 333.388 1.318 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000066106066 215012499 /nfs/dbraw/zinc/01/24/99/215012499.db2.gz CRAQRHGUMGOMJJ-CYBMUJFWSA-N 1 0 339.417 1.762 20 5 EDBDRO COc1ccc(S(=O)(=O)N(C)CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000103162316 219264064 /nfs/dbraw/zinc/26/40/64/219264064.db2.gz UYASCQRXFKUFIX-UHFFFAOYSA-N 1 0 343.405 1.320 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000069129067 215361563 /nfs/dbraw/zinc/36/15/63/215361563.db2.gz FLNOGAUGLFIQQC-NSHDSACASA-N 1 0 341.433 1.918 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000180863653 234012641 /nfs/dbraw/zinc/01/26/41/234012641.db2.gz NVDWQAAVHFNURD-LLVKDONJSA-N 1 0 336.348 1.835 20 5 EDBDRO C[C@H]1C[C@@H]([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000181946251 234390415 /nfs/dbraw/zinc/39/04/15/234390415.db2.gz GPTMMVVRVNUNNC-KKUMJFAQSA-N 1 0 337.420 1.749 20 5 EDBDRO Cc1c([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cnn1C ZINC000183472030 235096591 /nfs/dbraw/zinc/09/65/91/235096591.db2.gz XPNKYTXEMHSMFX-YPMHNXCESA-N 1 0 334.376 1.727 20 5 EDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])ccc1Cl ZINC000078650838 138258446 /nfs/dbraw/zinc/25/84/46/138258446.db2.gz IVCBROZPPKAHTA-VXGBXAGGSA-N 1 0 339.779 1.841 20 5 EDBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186991277 236088696 /nfs/dbraw/zinc/08/86/96/236088696.db2.gz MVWUYXWWYQASGT-CQSZACIVSA-N 1 0 344.371 1.598 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000187214763 236148153 /nfs/dbraw/zinc/14/81/53/236148153.db2.gz CLNSOICOZGSACA-PXAZEXFGSA-N 1 0 345.403 1.907 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](CO)CC(F)(F)F)c1 ZINC000564083986 306355397 /nfs/dbraw/zinc/35/53/97/306355397.db2.gz FCBWFRHLSVAZOI-KOLCDFICSA-N 1 0 338.282 1.237 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2coc(-c3cccs3)n2)c1 ZINC000564651067 306362075 /nfs/dbraw/zinc/36/20/75/306362075.db2.gz GLGYWDDNTUHHDD-LBPRGKRZSA-N 1 0 349.372 1.659 20 5 EDBDRO COc1cccc(C(=O)NCCC[NH+]2CCC(O)CC2)c1[N+](=O)[O-] ZINC000192592660 237483242 /nfs/dbraw/zinc/48/32/42/237483242.db2.gz SLXVEUWLEGQFII-UHFFFAOYSA-N 1 0 337.376 1.180 20 5 EDBDRO C[C@@H]([NH3+])CCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000193266153 138965097 /nfs/dbraw/zinc/96/50/97/138965097.db2.gz GNMQHQMVRNIDSC-GFCCVEGCSA-N 1 0 334.376 1.007 20 5 EDBDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567105082 306437947 /nfs/dbraw/zinc/43/79/47/306437947.db2.gz PLXONTOLQZWBRF-BBRMVZONSA-N 1 0 346.387 1.735 20 5 EDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])C1CC[NH+](C2CC2)CC1 ZINC000195313137 139013564 /nfs/dbraw/zinc/01/35/64/139013564.db2.gz PJQNNFICNDYTHD-UHFFFAOYSA-N 1 0 332.404 1.997 20 5 EDBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000235430156 139026155 /nfs/dbraw/zinc/02/61/55/139026155.db2.gz ALVHZYKJVQUENT-SCZZXKLOSA-N 1 0 333.797 1.667 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000237190532 139043472 /nfs/dbraw/zinc/04/34/72/139043472.db2.gz YMYIKUAKYYGYCA-ZYHUDNBSSA-N 1 0 343.405 1.494 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000237427518 139050929 /nfs/dbraw/zinc/05/09/29/139050929.db2.gz DJPNNWHLSBIHRP-UWVGGRQHSA-N 1 0 347.824 1.996 20 5 EDBDRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000111353043 220144218 /nfs/dbraw/zinc/14/42/18/220144218.db2.gz CHEJGNHYBKNQGS-LBPRGKRZSA-N 1 0 327.406 1.748 20 5 EDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[N@H+](C)Cc1ccccc1 ZINC000111631035 220172783 /nfs/dbraw/zinc/17/27/83/220172783.db2.gz BIHOBMKEYKIHRD-GFCCVEGCSA-N 1 0 344.371 1.946 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000237769083 139059986 /nfs/dbraw/zinc/05/99/86/139059986.db2.gz YQPIOBVAAFQCAN-SNVBAGLBSA-N 1 0 347.824 1.916 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC([NH2+]CC2CC2)CC1 ZINC000237988133 139065791 /nfs/dbraw/zinc/06/57/91/139065791.db2.gz GZYZUYYTZXYNHX-UHFFFAOYSA-N 1 0 332.404 1.997 20 5 EDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000238052103 139067706 /nfs/dbraw/zinc/06/77/06/139067706.db2.gz HSOQRSUYJYMGPB-XHDPSFHLSA-N 1 0 329.360 1.638 20 5 EDBDRO O=C(NCC[C@H]1CCC[NH2+]C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000238155604 139069673 /nfs/dbraw/zinc/06/96/73/139069673.db2.gz WQZSOBZLTKLNDE-LLVKDONJSA-N 1 0 344.371 1.556 20 5 EDBDRO Cc1c(NC(=O)CC[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000245835205 139087058 /nfs/dbraw/zinc/08/70/58/139087058.db2.gz VEPIFMBLVCVFRR-DGCLKSJQSA-N 1 0 348.403 1.818 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415359614 304203454 /nfs/dbraw/zinc/20/34/54/304203454.db2.gz RTZLULQJLQQKNM-QWHCGFSZSA-N 1 0 348.403 1.654 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCn2cc([N+](=O)[O-])nc2C)[C@@H](C)C1 ZINC000247468034 139149470 /nfs/dbraw/zinc/14/94/70/139149470.db2.gz RQWUPYRQVYZGJY-JSGCOSHPSA-N 1 0 337.424 1.679 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000247965412 139156409 /nfs/dbraw/zinc/15/64/09/139156409.db2.gz GSOJQZKLSSXMNH-UONOGXRCSA-N 1 0 333.388 1.916 20 5 EDBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000093360836 218218719 /nfs/dbraw/zinc/21/87/19/218218719.db2.gz ARPPNICZRWWRMW-LLVKDONJSA-N 1 0 337.376 1.570 20 5 EDBDRO COc1cc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000093808808 218249840 /nfs/dbraw/zinc/24/98/40/218249840.db2.gz QXBPJSOUAUBYFN-LLVKDONJSA-N 1 0 337.376 1.699 20 5 EDBDRO CC(C)C[C@@H](CO)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000249435367 139193274 /nfs/dbraw/zinc/19/32/74/139193274.db2.gz KTGKOIKKLRJBCM-UONOGXRCSA-N 1 0 326.393 1.673 20 5 EDBDRO COc1ccc(NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000415447747 304221080 /nfs/dbraw/zinc/22/10/80/304221080.db2.gz UKMLRQVTKMOVSO-ZDUSSCGKSA-N 1 0 349.391 1.115 20 5 EDBDRO C[C@]1(C[NH3+])CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000261719563 139220183 /nfs/dbraw/zinc/22/01/83/139220183.db2.gz PWYUPVBOUZZSPE-GFCCVEGCSA-N 1 0 333.797 1.608 20 5 EDBDRO Cc1nn(C)c(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)c1[N+](=O)[O-] ZINC000261796458 139226910 /nfs/dbraw/zinc/22/69/10/139226910.db2.gz VCEVZSMJANSAHU-UHFFFAOYSA-N 1 0 333.323 1.674 20 5 EDBDRO Cc1nn(C)c(C(=O)N(CC[NH3+])CCc2ccccc2)c1[N+](=O)[O-] ZINC000261821415 139228960 /nfs/dbraw/zinc/22/89/60/139228960.db2.gz XWOTYQJIVDJEHX-UHFFFAOYSA-N 1 0 331.376 1.280 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261808411 139227847 /nfs/dbraw/zinc/22/78/47/139227847.db2.gz GDXUFFQKMPETFB-IACUBPJLSA-N 1 0 339.417 1.651 20 5 EDBDRO C[NH2+][C@H](C)Cc1noc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)n1 ZINC000261912657 139236304 /nfs/dbraw/zinc/23/63/04/139236304.db2.gz ZXWXBJUEPWCFLM-SNVBAGLBSA-N 1 0 348.363 1.128 20 5 EDBDRO COC(=O)COc1ccc(CN(C2CC2)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000261963990 139240373 /nfs/dbraw/zinc/24/03/73/139240373.db2.gz PQZNFDMSKSIEAW-AWEZNQCLSA-N 1 0 349.387 1.473 20 5 EDBDRO COC(=O)COc1ccc(CN2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261996880 139242688 /nfs/dbraw/zinc/24/26/88/139242688.db2.gz SVZSNICGWMARCM-INIZCTEOSA-N 1 0 337.376 1.317 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000415544628 251000422 /nfs/dbraw/zinc/00/04/22/251000422.db2.gz UOUXHDLPMRMLNV-MNOVXSKESA-N 1 0 334.376 1.291 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000262266590 139264915 /nfs/dbraw/zinc/26/49/15/139264915.db2.gz RWOXJIRHRFLUDQ-UONOGXRCSA-N 1 0 329.360 1.053 20 5 EDBDRO C[C@@]1(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000262293184 139267261 /nfs/dbraw/zinc/26/72/61/139267261.db2.gz NLUSELSAJQQGCJ-CQSZACIVSA-N 1 0 327.406 1.404 20 5 EDBDRO C[C@H]1C[C@@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[NH2+]1 ZINC000262318716 139269760 /nfs/dbraw/zinc/26/97/60/139269760.db2.gz CIFKFNWVILHHMM-KBPBESRZSA-N 1 0 332.404 1.632 20 5 EDBDRO CC1(C)CCC[NH2+][C@@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262426754 139278358 /nfs/dbraw/zinc/27/83/58/139278358.db2.gz FMPDTTQRRPQPSQ-CYBMUJFWSA-N 1 0 327.406 1.651 20 5 EDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418080907 251321341 /nfs/dbraw/zinc/32/13/41/251321341.db2.gz DYDYJFFPKUSDIK-GFCCVEGCSA-N 1 0 346.391 1.755 20 5 EDBDRO CC[C@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000417855653 251298990 /nfs/dbraw/zinc/29/89/90/251298990.db2.gz RCLCPJDTORXHSQ-GJZGRUSLSA-N 1 0 335.408 1.249 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000415580623 304231575 /nfs/dbraw/zinc/23/15/75/304231575.db2.gz MBTYINKBIIBWPR-QGZVFWFLSA-N 1 0 348.403 1.656 20 5 EDBDRO NS(=O)(=O)c1ccc(NCCC[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000420271616 251663894 /nfs/dbraw/zinc/66/38/94/251663894.db2.gz KGSWHMBVOLROAH-JTQLQIEISA-N 1 0 328.394 1.186 20 5 EDBDRO CN(C(=O)CN1CCC[C@@]2(CC[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000420353335 251695651 /nfs/dbraw/zinc/69/56/51/251695651.db2.gz AZOIFIQKECYHLE-KRWDZBQOSA-N 1 0 332.404 1.633 20 5 EDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2nnnn2CC1 ZINC000421394896 251843458 /nfs/dbraw/zinc/84/34/58/251843458.db2.gz HGJFAXRJBSIRIZ-JSGCOSHPSA-N 1 0 330.392 1.897 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 ZINC000262896055 139311158 /nfs/dbraw/zinc/31/11/58/139311158.db2.gz PCQLUNIMHWGGFX-NEPJUHHUSA-N 1 0 329.360 1.651 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423057345 252028905 /nfs/dbraw/zinc/02/89/05/252028905.db2.gz HDVBTONOYGSDQX-CYBMUJFWSA-N 1 0 343.387 1.757 20 5 EDBDRO CCOc1cccc(N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000424413475 252217596 /nfs/dbraw/zinc/21/75/96/252217596.db2.gz PEJVLOMHEVQHBD-QWHCGFSZSA-N 1 0 331.376 1.658 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424413605 252217738 /nfs/dbraw/zinc/21/77/38/252217738.db2.gz FVSOZZOSSAVIRA-UONOGXRCSA-N 1 0 344.375 1.595 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000415674633 304253806 /nfs/dbraw/zinc/25/38/06/304253806.db2.gz IDHQWJHFKLQUFQ-LBPRGKRZSA-N 1 0 334.376 1.429 20 5 EDBDRO O=[N+]([O-])c1ccc2nc(N3CCN([C@@H]4CC[NH2+]C4)CC3)ccc2c1 ZINC000261603283 285149288 /nfs/dbraw/zinc/14/92/88/285149288.db2.gz BYPNBTJTAZCHPR-OAHLLOKOSA-N 1 0 327.388 1.627 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000172077723 533144132 /nfs/dbraw/zinc/14/41/32/533144132.db2.gz FLHYFPOSDPJHSX-NSHDSACASA-N 1 0 343.405 1.176 20 5 EDBDRO CC[N@H+](CCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)C1CC1 ZINC000263685861 139352760 /nfs/dbraw/zinc/35/27/60/139352760.db2.gz GFSHKMIKYAMJAE-UHFFFAOYSA-N 1 0 335.360 1.596 20 5 EDBDRO Cc1c(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000153745080 224151364 /nfs/dbraw/zinc/15/13/64/224151364.db2.gz QMCCGWZQBRVBDW-LLVKDONJSA-N 1 0 336.348 1.978 20 5 EDBDRO C[NH+](C)CCCC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000153793357 224157944 /nfs/dbraw/zinc/15/79/44/224157944.db2.gz QDAKUTYRRFAULU-UHFFFAOYSA-N 1 0 336.392 1.889 20 5 EDBDRO CC[C@H](CO)[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000486956677 255021318 /nfs/dbraw/zinc/02/13/18/255021318.db2.gz JZLKFPUWNSSTHV-CYBMUJFWSA-N 1 0 347.375 1.538 20 5 EDBDRO C[NH+]1CCN(CCNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000491503652 255126930 /nfs/dbraw/zinc/12/69/30/255126930.db2.gz DXFQECJIJVHXNA-HYXAFXHYSA-N 1 0 336.367 1.111 20 5 EDBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000493980499 255229314 /nfs/dbraw/zinc/22/93/14/255229314.db2.gz BEGZUHCNJQTZOR-UHFFFAOYSA-N 1 0 339.396 1.733 20 5 EDBDRO O=C(CC[N@@H+]1CCN2C(=O)OCC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000494309626 255245354 /nfs/dbraw/zinc/24/53/54/255245354.db2.gz CGFXHKNIACUPTH-AWEZNQCLSA-N 1 0 348.359 1.450 20 5 EDBDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000495517595 255292874 /nfs/dbraw/zinc/29/28/74/255292874.db2.gz UEJNTURCOCIQGI-NWDGAFQWSA-N 1 0 325.369 1.248 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415807627 304276625 /nfs/dbraw/zinc/27/66/25/304276625.db2.gz LIDFIZSRTSLKIZ-VXGBXAGGSA-N 1 0 334.376 1.475 20 5 EDBDRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264069837 139378950 /nfs/dbraw/zinc/37/89/50/139378950.db2.gz BHVHMMNGYRCOLR-UHFFFAOYSA-N 1 0 341.433 1.698 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000154686723 224290584 /nfs/dbraw/zinc/29/05/84/224290584.db2.gz PSRKGZIVTAJYTA-DOMZBBRYSA-N 1 0 341.433 1.697 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000187162630 533222986 /nfs/dbraw/zinc/22/29/86/533222986.db2.gz PQUHVAKRTONAOL-LLVKDONJSA-N 1 0 342.417 1.906 20 5 EDBDRO C[NH+](C)C1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119552674 221346300 /nfs/dbraw/zinc/34/63/00/221346300.db2.gz RFWYCDPNILRKEE-UHFFFAOYSA-N 1 0 347.824 1.963 20 5 EDBDRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000415835078 304279576 /nfs/dbraw/zinc/27/95/76/304279576.db2.gz JECSHPGYHPQBDW-ZDUSSCGKSA-N 1 0 338.339 1.306 20 5 EDBDRO CC[NH2+]CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269158528 535476314 /nfs/dbraw/zinc/47/63/14/535476314.db2.gz ZNBBKYPRISBZRG-UHFFFAOYSA-N 1 0 334.145 1.836 20 5 EDBDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000289703288 135639843 /nfs/dbraw/zinc/63/98/43/135639843.db2.gz FJLMKRZHHDPPEU-CZUORRHYSA-N 1 0 332.404 1.632 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000270257124 140068856 /nfs/dbraw/zinc/06/88/56/140068856.db2.gz RCIFLEIVZNKPIB-CQSZACIVSA-N 1 0 335.408 1.290 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1F ZINC000271517846 140306158 /nfs/dbraw/zinc/30/61/58/140306158.db2.gz ZOYSOUCPPLEDHI-MFKMUULPSA-N 1 0 345.396 1.613 20 5 EDBDRO C[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1ccccc1[N+](=O)[O-] ZINC000271708592 140337376 /nfs/dbraw/zinc/33/73/76/140337376.db2.gz OYFHQPNBGDGNOC-CHWSQXEVSA-N 1 0 335.408 1.201 20 5 EDBDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331634570 141059873 /nfs/dbraw/zinc/05/98/73/141059873.db2.gz IXCHZCJNKCDVLI-RDJZCZTQSA-N 1 0 333.388 1.625 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000332136632 141129415 /nfs/dbraw/zinc/12/94/15/141129415.db2.gz JMUXGQNXGRASKV-HOTGVXAUSA-N 1 0 348.403 1.247 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000189969869 292086836 /nfs/dbraw/zinc/08/68/36/292086836.db2.gz ACFHKLVYPYUHJY-CYBMUJFWSA-N 1 0 341.433 1.784 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc([N+](=O)[O-])c1 ZINC000346329515 143192499 /nfs/dbraw/zinc/19/24/99/143192499.db2.gz RWNKIZDXUXFYNF-QGZVFWFLSA-N 1 0 347.371 1.549 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@H](F)C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000346414855 143202398 /nfs/dbraw/zinc/20/23/98/143202398.db2.gz PPFVOQARVDFYSL-NEPJUHHUSA-N 1 0 325.340 1.637 20 5 EDBDRO CO[C@@H]1C[C@@H](CN(C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[N@H+](C)C1 ZINC000346697197 143233286 /nfs/dbraw/zinc/23/32/86/143233286.db2.gz AWBFBBOJZKIDRH-QWHCGFSZSA-N 1 0 346.387 1.867 20 5 EDBDRO CC(=O)N1CCC([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000346776750 143244785 /nfs/dbraw/zinc/24/47/85/143244785.db2.gz SOAVMCSRPQBHKT-GFCCVEGCSA-N 1 0 348.403 1.912 20 5 EDBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000347070922 143278691 /nfs/dbraw/zinc/27/86/91/143278691.db2.gz DUHYPBYKSHOOSB-GXTWGEPZSA-N 1 0 343.387 1.894 20 5 EDBDRO C[C@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000347185830 143292469 /nfs/dbraw/zinc/29/24/69/143292469.db2.gz YFMJCOPWMAWLBG-MEDUHNTESA-N 1 0 346.387 1.603 20 5 EDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCCNc1cc[nH+]cc1 ZINC000351137285 143563828 /nfs/dbraw/zinc/56/38/28/143563828.db2.gz AOWGKDVSOQRJKL-UHFFFAOYSA-N 1 0 343.387 1.832 20 5 EDBDRO C[C@@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420260007 296566242 /nfs/dbraw/zinc/56/62/42/296566242.db2.gz MMZONDBDULHGGO-BDAKNGLRSA-N 1 0 333.435 1.623 20 5 EDBDRO Cc1noc([C@]2(O)CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000369728853 155153448 /nfs/dbraw/zinc/15/34/48/155153448.db2.gz DUMIUTJNQPVAML-HNNXBMFYSA-N 1 0 334.332 1.259 20 5 EDBDRO CCOC(=O)c1ccnc(N2CC[NH2+]C[C@@](C)(F)C2)c1[N+](=O)[O-] ZINC000420258358 285969305 /nfs/dbraw/zinc/96/93/05/285969305.db2.gz GCQNFBRJIUYMSO-CQSZACIVSA-N 1 0 326.328 1.304 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000357701694 292178101 /nfs/dbraw/zinc/17/81/01/292178101.db2.gz PURVZUSOJAJKEJ-RYUDHWBXSA-N 1 0 325.390 1.133 20 5 EDBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[C@@H]1O ZINC000352658162 149104517 /nfs/dbraw/zinc/10/45/17/149104517.db2.gz DFCRZJZUDVOJCX-JSGCOSHPSA-N 1 0 335.360 1.738 20 5 EDBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1COC[C@@H]1O ZINC000352820119 149180050 /nfs/dbraw/zinc/18/00/50/149180050.db2.gz YRDISLPQUMPVPZ-KBPBESRZSA-N 1 0 333.344 1.484 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]CCc2ccccn2)cc1[N+](=O)[O-] ZINC000353734295 149507127 /nfs/dbraw/zinc/50/71/27/149507127.db2.gz DMEGYQCBSDUTDI-UHFFFAOYSA-N 1 0 345.355 1.874 20 5 EDBDRO COc1cc(CN2C[C@@H](C)[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000261926689 286220382 /nfs/dbraw/zinc/22/03/82/286220382.db2.gz CHWVOBNSTKLRLB-SCZZXKLOSA-N 1 0 331.319 1.984 20 5 EDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000357290330 150985246 /nfs/dbraw/zinc/98/52/46/150985246.db2.gz CQPJJLAQOZAREV-BFQNTYOBSA-N 1 0 343.387 1.897 20 5 EDBDRO Cc1nn(C)c(-c2nc(CC3=[NH+][C@H]4CCCC[C@@H]4N3)no2)c1[N+](=O)[O-] ZINC000357948331 151207469 /nfs/dbraw/zinc/20/74/69/151207469.db2.gz MLTHVMWVTAXQQO-UWVGGRQHSA-N 1 0 345.363 1.542 20 5 EDBDRO O=[N+]([O-])c1cnn(Cc2nc(CC3=[NH+][C@H]4CCCC[C@@H]4N3)no2)c1 ZINC000357953906 151209341 /nfs/dbraw/zinc/20/93/41/151209341.db2.gz USUMWIDDWDMNNB-QWRGUYRKSA-N 1 0 331.336 1.078 20 5 EDBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000357965945 151214042 /nfs/dbraw/zinc/21/40/42/151214042.db2.gz UBOCGPXVXMCNGZ-UPJWGTAASA-N 1 0 335.408 1.806 20 5 EDBDRO Cn1cc(CNC[C@@]2(O)CC[N@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000358164744 151292362 /nfs/dbraw/zinc/29/23/62/151292362.db2.gz KBPYELMGJFYRBV-KRWDZBQOSA-N 1 0 345.403 1.152 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(C)(C)CCC[NH3+] ZINC000336864580 286250002 /nfs/dbraw/zinc/25/00/02/286250002.db2.gz HNQXKHBBNSPCNC-UHFFFAOYSA-N 1 0 331.394 1.399 20 5 EDBDRO CO[C@@H]1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000417147114 304377609 /nfs/dbraw/zinc/37/76/09/304377609.db2.gz ZCNVSODUNLABDL-BYCMXARLSA-N 1 0 336.392 1.804 20 5 EDBDRO CC[C@@H]1CN(c2c([N+](=O)[O-])nc(C)n2CC)CC[N@@H+]1C[C@H](C)O ZINC000360901379 152246182 /nfs/dbraw/zinc/24/61/82/152246182.db2.gz IQJDADNOZPBHOV-WCQYABFASA-N 1 0 325.413 1.401 20 5 EDBDRO O=C(C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)NCC(F)F ZINC000360922441 152252719 /nfs/dbraw/zinc/25/27/19/152252719.db2.gz QBGBFLVCEGMICY-UWVGGRQHSA-N 1 0 331.323 1.246 20 5 EDBDRO Nc1c(C(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000370164697 155357935 /nfs/dbraw/zinc/35/79/35/155357935.db2.gz XYQBXFYHEBKOPS-JSGCOSHPSA-N 1 0 348.403 1.408 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000363642250 153020139 /nfs/dbraw/zinc/02/01/39/153020139.db2.gz XSOCNCITGHWYRT-LBPRGKRZSA-N 1 0 330.348 1.191 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000364032050 153127285 /nfs/dbraw/zinc/12/72/85/153127285.db2.gz HJIWRTVFPUHLRK-KGLIPLIRSA-N 1 0 335.408 1.575 20 5 EDBDRO COc1ccc(CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000417196330 304383547 /nfs/dbraw/zinc/38/35/47/304383547.db2.gz OYCNJLRIMCOUFH-WCQYABFASA-N 1 0 336.392 1.920 20 5 EDBDRO COc1cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc([N+](=O)[O-])c1C ZINC000364570937 153275027 /nfs/dbraw/zinc/27/50/27/153275027.db2.gz AHKPBTJZDJBKLN-KGLIPLIRSA-N 1 0 349.387 1.505 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)cc1C ZINC000364807270 153339174 /nfs/dbraw/zinc/33/91/74/153339174.db2.gz DWJHLNUVFIDDPT-LBPRGKRZSA-N 1 0 327.406 1.632 20 5 EDBDRO COc1cc(OCC(=O)N2CCC3(C2)CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000367383930 154098300 /nfs/dbraw/zinc/09/83/00/154098300.db2.gz JQULRZKGPQRDLH-UHFFFAOYSA-N 1 0 349.387 1.584 20 5 EDBDRO NC(=O)[C@]1(O)CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000367491931 154146474 /nfs/dbraw/zinc/14/64/74/154146474.db2.gz BDMLRKBUYCLCRM-KRWDZBQOSA-N 1 0 345.355 1.667 20 5 EDBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000368010984 154366196 /nfs/dbraw/zinc/36/61/96/154366196.db2.gz DVEXKPFACNBTGE-OLZOCXBDSA-N 1 0 341.371 1.462 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000371689483 156063978 /nfs/dbraw/zinc/06/39/78/156063978.db2.gz PPBFVGCSTKVLFP-KGLIPLIRSA-N 1 0 347.375 1.091 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)ccc1[N+](=O)[O-] ZINC000373053366 156656777 /nfs/dbraw/zinc/65/67/77/156656777.db2.gz SRJLKGKXGKHREL-WCQYABFASA-N 1 0 335.360 1.193 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@](O)(C4CC4)C3)o2)cc1 ZINC000373911904 157062306 /nfs/dbraw/zinc/06/23/06/157062306.db2.gz STDKEPGQXJYJET-INIZCTEOSA-N 1 0 330.344 1.992 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000374392265 157273086 /nfs/dbraw/zinc/27/30/86/157273086.db2.gz KMTOZZKZLKYAQW-SQWLQELKSA-N 1 0 336.388 1.693 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN[C@@H](c2ccncc2)C1 ZINC000374392558 157273297 /nfs/dbraw/zinc/27/32/97/157273297.db2.gz YTZSDCZPBHVXCA-MRXNPFEDSA-N 1 0 342.355 1.542 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)c2nonc21 ZINC000374540941 157322762 /nfs/dbraw/zinc/32/27/62/157322762.db2.gz IKCYKQSQGUVYOV-NWDGAFQWSA-N 1 0 347.375 1.557 20 5 EDBDRO O=C(CC[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000375352129 157554300 /nfs/dbraw/zinc/55/43/00/157554300.db2.gz GTRXZPKMFWJJQH-DYVFJYSZSA-N 1 0 346.387 1.570 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 ZINC000378538063 158203782 /nfs/dbraw/zinc/20/37/82/158203782.db2.gz FYYGCKWWVRHNEE-VXGBXAGGSA-N 1 0 334.376 1.160 20 5 EDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000352334781 162124039 /nfs/dbraw/zinc/12/40/39/162124039.db2.gz KKJOVQVBXWMTAW-LLVKDONJSA-N 1 0 335.360 1.785 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000357054538 162281392 /nfs/dbraw/zinc/28/13/92/162281392.db2.gz UHCCPOYJDJVLKO-UHFFFAOYSA-N 1 0 343.387 1.157 20 5 EDBDRO Cc1nn(CCC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000365214084 162357346 /nfs/dbraw/zinc/35/73/46/162357346.db2.gz SGZWZWKQHSDCFM-AWEZNQCLSA-N 1 0 349.435 1.931 20 5 EDBDRO CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCCO1 ZINC000072610713 287254871 /nfs/dbraw/zinc/25/48/71/287254871.db2.gz UTSVMMLTMLOPCZ-GJZGRUSLSA-N 1 0 326.397 1.433 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCCN3CCOCC3)C2)nc1 ZINC000072665176 287255282 /nfs/dbraw/zinc/25/52/82/287255282.db2.gz CDQCMIZFMUFPAY-CQSZACIVSA-N 1 0 335.408 1.198 20 5 EDBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1cccc([N+](=O)[O-])c1 ZINC000171953587 227383251 /nfs/dbraw/zinc/38/32/51/227383251.db2.gz MTNLTTQIFLNAAU-HNNXBMFYSA-N 1 0 336.392 1.953 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000123055809 287385361 /nfs/dbraw/zinc/38/53/61/287385361.db2.gz OSURMMQXBRIHKU-NEPJUHHUSA-N 1 0 327.406 1.794 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000124270222 287396735 /nfs/dbraw/zinc/39/67/35/287396735.db2.gz HQKSESQXAXJMJL-UHFFFAOYSA-N 1 0 348.403 1.704 20 5 EDBDRO C[C@H]1CCCN(c2ccc(C(=O)N[C@@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000126167209 287417531 /nfs/dbraw/zinc/41/75/31/287417531.db2.gz CUUXXCVPGLWTKH-GXTWGEPZSA-N 1 0 332.404 1.923 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CC1 ZINC000122420012 222084042 /nfs/dbraw/zinc/08/40/42/222084042.db2.gz MUWYEQJCWJMPOQ-HNNXBMFYSA-N 1 0 344.375 1.246 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000122741698 222149787 /nfs/dbraw/zinc/14/97/87/222149787.db2.gz OBVQLVRHUDRMBZ-UHFFFAOYSA-N 1 0 335.339 1.459 20 5 EDBDRO [NH3+]C1CCC(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000418388617 304489596 /nfs/dbraw/zinc/48/95/96/304489596.db2.gz QIZCJKTWPPRKLA-UHFFFAOYSA-N 1 0 334.376 1.637 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000123230698 222238819 /nfs/dbraw/zinc/23/88/19/222238819.db2.gz YNIPUFQLQZBZAC-UHFFFAOYSA-N 1 0 346.387 1.841 20 5 EDBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000237052947 273007235 /nfs/dbraw/zinc/00/72/35/273007235.db2.gz MOLAWNNJECRVKF-UHFFFAOYSA-N 1 0 333.435 1.667 20 5 EDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237253586 273008542 /nfs/dbraw/zinc/00/85/42/273008542.db2.gz RCHKSCBZPJXZIR-LLVKDONJSA-N 1 0 330.344 1.260 20 5 EDBDRO C[NH2+]CCNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000237114148 273007898 /nfs/dbraw/zinc/00/78/98/273007898.db2.gz YFLCEGJHDHEINO-UHFFFAOYSA-N 1 0 331.376 1.406 20 5 EDBDRO C[NH+](C)CCCCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000273058383 273026292 /nfs/dbraw/zinc/02/62/92/273026292.db2.gz WYQFCQOQMCRRPO-OAHLLOKOSA-N 1 0 334.376 1.546 20 5 EDBDRO CC[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@@H+]1C[C@@H](C)O ZINC000275420176 268340406 /nfs/dbraw/zinc/34/04/06/268340406.db2.gz UBSAWGSPQUBLTG-OLZOCXBDSA-N 1 0 334.420 1.844 20 5 EDBDRO C[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000275835775 268376899 /nfs/dbraw/zinc/37/68/99/268376899.db2.gz OYVIZJQJUKLQOO-SNVBAGLBSA-N 1 0 331.319 1.699 20 5 EDBDRO O=[N+]([O-])c1cnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)nc1 ZINC000273565877 273045257 /nfs/dbraw/zinc/04/52/57/273045257.db2.gz CMNZRIQWHOZUSZ-UHFFFAOYSA-N 1 0 349.313 1.476 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc([N+](=O)[O-])c1 ZINC000274174852 273074588 /nfs/dbraw/zinc/07/45/88/273074588.db2.gz CAMCMVSDXJVHLZ-MRXNPFEDSA-N 1 0 333.344 1.207 20 5 EDBDRO COc1cc(C(=O)NCC2([NH+](C)C)CCC2)cc([N+](=O)[O-])c1OC ZINC000276064298 273145898 /nfs/dbraw/zinc/14/58/98/273145898.db2.gz VMEGUXYMASOOIT-UHFFFAOYSA-N 1 0 337.376 1.826 20 5 EDBDRO C[NH2+]CC1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000152249907 272927185 /nfs/dbraw/zinc/92/71/85/272927185.db2.gz LBARXZUPDKDJHS-UHFFFAOYSA-N 1 0 349.387 1.367 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000277127454 273181708 /nfs/dbraw/zinc/18/17/08/273181708.db2.gz ZIQWESWNSPKEAE-CQSZACIVSA-N 1 0 341.433 1.841 20 5 EDBDRO CC[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C[C@@H](C)O ZINC000277903301 273233167 /nfs/dbraw/zinc/23/31/67/273233167.db2.gz RMDSUTXWKJWQOQ-VXGBXAGGSA-N 1 0 333.392 1.753 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000284086959 274076016 /nfs/dbraw/zinc/07/60/16/274076016.db2.gz LRWWRNAEQLZKOX-RYUDHWBXSA-N 1 0 338.364 1.390 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000284086964 274076083 /nfs/dbraw/zinc/07/60/83/274076083.db2.gz LRWWRNAEQLZKOX-VXGBXAGGSA-N 1 0 338.364 1.390 20 5 EDBDRO COC(=O)c1cn(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000284100620 274079799 /nfs/dbraw/zinc/07/97/99/274079799.db2.gz RYUNANHWTGMMMC-UHFFFAOYSA-N 1 0 339.739 1.416 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000377165773 274099600 /nfs/dbraw/zinc/09/96/00/274099600.db2.gz RFPIVUIVLUUSLS-CZUORRHYSA-N 1 0 335.404 1.898 20 5 EDBDRO NC(=O)c1ncn(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)c1N ZINC000284376570 274180579 /nfs/dbraw/zinc/18/05/79/274180579.db2.gz UMRKBXMVMJHKOL-UHFFFAOYSA-N 1 0 344.375 1.310 20 5 EDBDRO C[C@@H](CN1CCOCC1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000091506765 274220107 /nfs/dbraw/zinc/22/01/07/274220107.db2.gz JCFCPKBDCIRONY-HNNXBMFYSA-N 1 0 334.420 1.438 20 5 EDBDRO Cc1cc(N2CCC[C@@](O)(C(N)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000284715632 274305411 /nfs/dbraw/zinc/30/54/11/274305411.db2.gz ULYJTQXTPHEBIY-INIZCTEOSA-N 1 0 330.344 1.268 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000284775262 274327042 /nfs/dbraw/zinc/32/70/42/274327042.db2.gz AKJIJPPBPJOEOZ-ZIAGYGMSSA-N 1 0 339.779 1.793 20 5 EDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COC[C@H]1n1ccnn1 ZINC000284910201 274383255 /nfs/dbraw/zinc/38/32/55/274383255.db2.gz UXSSAHYTPRPZSC-DUVNUKRYSA-N 1 0 331.376 1.737 20 5 EDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)s1 ZINC000367418876 275034167 /nfs/dbraw/zinc/03/41/67/275034167.db2.gz LYOIAVIVZZJHIK-RYUDHWBXSA-N 1 0 349.416 1.635 20 5 EDBDRO CC(C)[C@H](CCO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000161928500 275697581 /nfs/dbraw/zinc/69/75/81/275697581.db2.gz JNYWKEHPHJAEFZ-AWEZNQCLSA-N 1 0 330.406 1.365 20 5 EDBDRO C[NH+](C)CCO[C@@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347456622 276792178 /nfs/dbraw/zinc/79/21/78/276792178.db2.gz WYWBFPGDBZPODN-GFCCVEGCSA-N 1 0 331.376 1.695 20 5 EDBDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000495512293 277334435 /nfs/dbraw/zinc/33/44/35/277334435.db2.gz IVWBUFRXIVQIOP-GHMZBOCLSA-N 1 0 325.369 1.285 20 5 EDBDRO C[C@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000268279834 278441737 /nfs/dbraw/zinc/44/17/37/278441737.db2.gz WCBTVJNBROMUAV-MEDUHNTESA-N 1 0 332.404 1.873 20 5 EDBDRO Cc1nn(C)c(N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000374254252 279198242 /nfs/dbraw/zinc/19/82/42/279198242.db2.gz CWOJWCWZRBHOCM-GFCCVEGCSA-N 1 0 336.440 1.241 20 5 EDBDRO CC(C)NC(=O)c1ccc(N2CCCO[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420270091 279602580 /nfs/dbraw/zinc/60/25/80/279602580.db2.gz ISPJJGWRVPLUEB-CYBMUJFWSA-N 1 0 336.392 1.287 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000036265569 280358428 /nfs/dbraw/zinc/35/84/28/280358428.db2.gz OISAANPMZVFSJR-GZMMTYOYSA-N 1 0 331.781 1.231 20 5 EDBDRO CC1CCN(c2ccc(C(=O)N[C@@H]3CC[NH2+]C3)cc2[N+](=O)[O-])CC1 ZINC000127736855 281839168 /nfs/dbraw/zinc/83/91/68/281839168.db2.gz QQBVKZVTMRZRLB-CQSZACIVSA-N 1 0 332.404 1.923 20 5 EDBDRO C[NH+](C)CCN(Cc1cccs1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290842561 288962437 /nfs/dbraw/zinc/96/24/37/288962437.db2.gz WGUIGWVKWYURFI-UHFFFAOYSA-N 1 0 349.416 1.718 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000291821546 289189272 /nfs/dbraw/zinc/18/92/72/289189272.db2.gz FFSUPQRQYYMODR-OAHLLOKOSA-N 1 0 339.417 1.620 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292214784 289291080 /nfs/dbraw/zinc/29/10/80/289291080.db2.gz OPSPCYROIDARHB-GFCCVEGCSA-N 1 0 347.824 1.714 20 5 EDBDRO CCOC(=O)c1ccnc(N2CC[C@@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000292320020 289315907 /nfs/dbraw/zinc/31/59/07/289315907.db2.gz OTYVPOYYSHHEJL-MRXNPFEDSA-N 1 0 334.376 1.699 20 5 EDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000248752415 290240025 /nfs/dbraw/zinc/24/00/25/290240025.db2.gz VDKSZPNNVYDETC-WFASDCNBSA-N 1 0 339.417 1.700 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000261793236 295188195 /nfs/dbraw/zinc/18/81/95/295188195.db2.gz UBVOINCXDASEAO-CMPLNLGQSA-N 1 0 343.405 1.494 20 5 EDBDRO CS(=O)(=O)c1cccc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1[N+](=O)[O-] ZINC000261924383 295559339 /nfs/dbraw/zinc/55/93/39/295559339.db2.gz RZCGRXFOVMDTSL-TUAOUCFPSA-N 1 0 339.417 1.562 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)cccc1[N+](=O)[O-] ZINC000419762384 304681442 /nfs/dbraw/zinc/68/14/42/304681442.db2.gz RYJUHMZWHHYJDO-CQSZACIVSA-N 1 0 348.403 1.153 20 5 EDBDRO Cc1cc(OCC(=O)NC[C@@](C)(O)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000419999298 304724449 /nfs/dbraw/zinc/72/44/49/304724449.db2.gz OGFQDEDJRZPROE-INIZCTEOSA-N 1 0 339.392 1.101 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)cc1C ZINC000268760630 301425522 /nfs/dbraw/zinc/42/55/22/301425522.db2.gz FNTLJDIZXJCOCA-ZDUSSCGKSA-N 1 0 341.433 1.926 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000262757033 301428209 /nfs/dbraw/zinc/42/82/09/301428209.db2.gz IFTGYTBWGWANBI-VXGBXAGGSA-N 1 0 327.406 1.583 20 5 EDBDRO CC1(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000420451913 304760719 /nfs/dbraw/zinc/76/07/19/304760719.db2.gz RJVVSJXVVKLCRV-UHFFFAOYSA-N 1 0 333.797 1.669 20 5 EDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420465618 304761441 /nfs/dbraw/zinc/76/14/41/304761441.db2.gz VXCJJSRYFXHFLP-JSGCOSHPSA-N 1 0 327.406 1.184 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000420467746 304762096 /nfs/dbraw/zinc/76/20/96/304762096.db2.gz NJZSTPGDLHQQRJ-NWDGAFQWSA-N 1 0 327.406 1.699 20 5 EDBDRO C[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294110369 303064326 /nfs/dbraw/zinc/06/43/26/303064326.db2.gz JZWSRPKGTOWJEY-MNOVXSKESA-N 1 0 327.406 1.652 20 5 EDBDRO C[NH+](C)CCn1nccc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000294146473 303069117 /nfs/dbraw/zinc/06/91/17/303069117.db2.gz RCVSERRHUDMGJT-UHFFFAOYSA-N 1 0 332.364 1.404 20 5 EDBDRO Cc1c(NC(=O)NCCC[N@@H+](C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000294184435 303074303 /nfs/dbraw/zinc/07/43/03/303074303.db2.gz JWWYNAKHEGPAHL-UHFFFAOYSA-N 1 0 337.424 1.908 20 5 EDBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000294767528 303144863 /nfs/dbraw/zinc/14/48/63/303144863.db2.gz FRRAOQJXDJAPSP-LBPRGKRZSA-N 1 0 344.375 1.438 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1 ZINC000295621929 303243141 /nfs/dbraw/zinc/24/31/41/303243141.db2.gz YRWVGIVMVJULIO-LBPRGKRZSA-N 1 0 337.376 1.180 20 5 EDBDRO C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000296738923 303334438 /nfs/dbraw/zinc/33/44/38/303334438.db2.gz OSXHVYPMNGDLLW-CYBMUJFWSA-N 1 0 332.404 1.949 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000360270292 303660850 /nfs/dbraw/zinc/66/08/50/303660850.db2.gz JDILQLDBKOICBJ-OAHLLOKOSA-N 1 0 349.435 1.906 20 5 EDBDRO O=c1c([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCCC3)C2)nc2ccccn12 ZINC000301142558 303663039 /nfs/dbraw/zinc/66/30/39/303663039.db2.gz GVTXEXZACVDSIO-LBPRGKRZSA-N 1 0 329.360 1.277 20 5 EDBDRO CC[NH+]1CCN(c2ccc(CNc3ncc([N+](=O)[O-])cn3)cn2)CC1 ZINC000302177955 303716499 /nfs/dbraw/zinc/71/64/99/303716499.db2.gz XZHIOTVHCNYHIG-UHFFFAOYSA-N 1 0 343.391 1.534 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000422638190 304875490 /nfs/dbraw/zinc/87/54/90/304875490.db2.gz ZTJKRBCQBJAYSJ-AWEZNQCLSA-N 1 0 332.404 1.331 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000423457816 304896615 /nfs/dbraw/zinc/89/66/15/304896615.db2.gz PJODHVVSCNSZSS-AWEZNQCLSA-N 1 0 347.371 1.738 20 5 EDBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000423581010 304899849 /nfs/dbraw/zinc/89/98/49/304899849.db2.gz BAOCZQNMNLJCRU-CYBMUJFWSA-N 1 0 348.403 1.303 20 5 EDBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000423989137 304923007 /nfs/dbraw/zinc/92/30/07/304923007.db2.gz YGOJWSCKYAYFLB-AWEZNQCLSA-N 1 0 331.376 1.478 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000427285113 304987926 /nfs/dbraw/zinc/98/79/26/304987926.db2.gz SKNMRJCTZORRST-ZDUSSCGKSA-N 1 0 346.391 1.925 20 5 EDBDRO CC1CC[NH+](C[C@H](O)CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000427382303 304989949 /nfs/dbraw/zinc/98/99/49/304989949.db2.gz CYZPFKWCAZLFDH-CYBMUJFWSA-N 1 0 336.392 1.198 20 5 EDBDRO CCC([NH3+])(CC)CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000429659838 305034258 /nfs/dbraw/zinc/03/42/58/305034258.db2.gz SCAPMHSSHZTIFX-UHFFFAOYSA-N 1 0 337.376 1.542 20 5 EDBDRO COCC[C@@]1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000429694454 305035310 /nfs/dbraw/zinc/03/53/10/305035310.db2.gz BNNICLQVJCYLJG-INIZCTEOSA-N 1 0 336.392 1.139 20 5 EDBDRO COc1ccc(NC(=O)CN2CCC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430968850 305071639 /nfs/dbraw/zinc/07/16/39/305071639.db2.gz XPKBORMCCOOGHT-RYUDHWBXSA-N 1 0 336.392 1.601 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000433961882 305115848 /nfs/dbraw/zinc/11/58/48/305115848.db2.gz WQNAMBWPVMVVHO-CQSZACIVSA-N 1 0 335.404 1.726 20 5 EDBDRO [NH3+]C[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000435389054 305139741 /nfs/dbraw/zinc/13/97/41/305139741.db2.gz KNPKHORDQJKACX-CQSZACIVSA-N 1 0 334.401 1.878 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1C ZINC000440438084 305206764 /nfs/dbraw/zinc/20/67/64/305206764.db2.gz LQWBNERBASMSEY-ZDUSSCGKSA-N 1 0 339.417 1.727 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000440823101 305212939 /nfs/dbraw/zinc/21/29/39/305212939.db2.gz CZQHSNXLTPJAMC-RYUDHWBXSA-N 1 0 327.406 1.569 20 5 EDBDRO O=C(C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)NCC(F)(F)F ZINC000447542163 305281755 /nfs/dbraw/zinc/28/17/55/305281755.db2.gz OBDFQXQJFBXZBQ-NXEZZACHSA-N 1 0 349.313 1.543 20 5 EDBDRO COc1ccc(OCC[NH2+][C@@H](CO)[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000447910391 305288684 /nfs/dbraw/zinc/28/86/84/305288684.db2.gz CZLUNDIYLNGVFY-GXTWGEPZSA-N 1 0 326.349 1.112 20 5 EDBDRO CC(C)NS(=O)(=O)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449133494 305307271 /nfs/dbraw/zinc/30/72/71/305307271.db2.gz YSCQOEJEXCXXIW-GFCCVEGCSA-N 1 0 329.422 1.443 20 5 EDBDRO CC[C@H]([NH3+])CNC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000449601923 305315154 /nfs/dbraw/zinc/31/51/54/305315154.db2.gz BNWFCNGRFMOCCZ-NSHDSACASA-N 1 0 327.406 1.690 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000449687123 305316983 /nfs/dbraw/zinc/31/69/83/305316983.db2.gz BFUDXVDMRPRRMU-ZDUSSCGKSA-N 1 0 333.388 1.731 20 5 EDBDRO O=C(CC[N@H+]1CC[C@@](O)(C(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000451424314 305345245 /nfs/dbraw/zinc/34/52/45/305345245.db2.gz GCEYHDJURLRHNT-AWEZNQCLSA-N 1 0 329.303 1.625 20 5 EDBDRO CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000451621851 305356658 /nfs/dbraw/zinc/35/66/58/305356658.db2.gz ASDHGOJCKODWJL-BXKDBHETSA-N 1 0 337.332 1.419 20 5 EDBDRO COc1cc(CN2CC[N@H+](CCO)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000452121027 305384140 /nfs/dbraw/zinc/38/41/40/305384140.db2.gz GHJWUMWFRNBCBV-NSHDSACASA-N 1 0 327.356 1.241 20 5 EDBDRO O=C(C[N@H+]1CC[C@@H](CCCO)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000452130294 305384813 /nfs/dbraw/zinc/38/48/13/305384813.db2.gz NXBANJFJUQRHJL-CYBMUJFWSA-N 1 0 333.388 1.578 20 5 EDBDRO CNc1nc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456043913 305450635 /nfs/dbraw/zinc/45/06/35/305450635.db2.gz KIPQIVLVNYSZRB-WCQYABFASA-N 1 0 333.392 1.730 20 5 EDBDRO CN1CC[NH+](CC2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000532392745 305982792 /nfs/dbraw/zinc/98/27/92/305982792.db2.gz NHTZZAIYTZNITG-UHFFFAOYSA-N 1 0 347.419 1.089 20 5 EDBDRO O=C(N[C@H]1CCCC[C@@H]1N1CCOCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000540953626 306042598 /nfs/dbraw/zinc/04/25/98/306042598.db2.gz HMFJZILJZLVJDZ-HOTGVXAUSA-N 1 0 349.387 1.674 20 5 EDBDRO C[NH+]1CCC(C)(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000543742832 306068585 /nfs/dbraw/zinc/06/85/85/306068585.db2.gz LXQKYJBAWYKSKK-UHFFFAOYSA-N 1 0 349.387 1.828 20 5 EDBDRO C[NH+](C)CCCCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000552113606 306175362 /nfs/dbraw/zinc/17/53/62/306175362.db2.gz ABTMXYUTFQPJIZ-UHFFFAOYSA-N 1 0 334.420 1.975 20 5 EDBDRO CCn1nccc1CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000555010656 306199713 /nfs/dbraw/zinc/19/97/13/306199713.db2.gz IVOSZGIDUUYKNB-UHFFFAOYSA-N 1 0 330.392 1.571 20 5 EDBDRO COc1cc(OCC(=O)NC[C@@H](C)[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000057705619 441128211 /nfs/dbraw/zinc/12/82/11/441128211.db2.gz ANBSVXYRETXXMU-LLVKDONJSA-N 1 0 337.376 1.581 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC2)CCO1 ZINC000378527372 447438971 /nfs/dbraw/zinc/43/89/71/447438971.db2.gz CYBXLPWEXKVPBM-GFCCVEGCSA-N 1 0 348.403 1.502 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)c1C ZINC000106366084 441335080 /nfs/dbraw/zinc/33/50/80/441335080.db2.gz YEQHCIAESBCUBT-CYBMUJFWSA-N 1 0 341.433 1.880 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000063115796 441315227 /nfs/dbraw/zinc/31/52/27/441315227.db2.gz DPGKOOVHCBDLID-WCQYABFASA-N 1 0 346.387 1.066 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000108300237 441441507 /nfs/dbraw/zinc/44/15/07/441441507.db2.gz ZYXANDJNRJAFRK-GFCCVEGCSA-N 1 0 349.387 1.826 20 5 EDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000108328575 441443954 /nfs/dbraw/zinc/44/39/54/441443954.db2.gz VVFKOMKSMVKJBO-CYBMUJFWSA-N 1 0 343.387 1.852 20 5 EDBDRO Cc1cc(N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)ncc1[N+](=O)[O-] ZINC000074747440 441462385 /nfs/dbraw/zinc/46/23/85/441462385.db2.gz QEHZETPXULCLKP-HNNXBMFYSA-N 1 0 333.436 1.762 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH+](CC2CC2)CC1 ZINC000053237052 441506839 /nfs/dbraw/zinc/50/68/39/441506839.db2.gz VSSMMJYHFJZEMC-UHFFFAOYSA-N 1 0 332.404 1.869 20 5 EDBDRO COC(=O)c1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000113230663 441590807 /nfs/dbraw/zinc/59/08/07/441590807.db2.gz FLZGHEOZELFKOM-BXUZGUMPSA-N 1 0 347.371 1.690 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+](C)CC(=O)NC2CC2)cccc1[N+](=O)[O-] ZINC000041894393 441681769 /nfs/dbraw/zinc/68/17/69/441681769.db2.gz ZVTHMYUQSHKDIN-UHFFFAOYSA-N 1 0 334.376 1.442 20 5 EDBDRO COc1ccc(CC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000067924292 441697281 /nfs/dbraw/zinc/69/72/81/441697281.db2.gz DQTQMDJYKOGTAE-AWEZNQCLSA-N 1 0 333.388 1.843 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000121475655 441713317 /nfs/dbraw/zinc/71/33/17/441713317.db2.gz IMECKFZZCWSBJS-ZDUSSCGKSA-N 1 0 348.403 1.751 20 5 EDBDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000160236516 441868331 /nfs/dbraw/zinc/86/83/31/441868331.db2.gz RIKRWINFCCSTRL-LBPRGKRZSA-N 1 0 325.340 1.311 20 5 EDBDRO CN(C(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000139899603 441828679 /nfs/dbraw/zinc/82/86/79/441828679.db2.gz KQCFQMISLQHMMH-PBHICJAKSA-N 1 0 346.431 1.974 20 5 EDBDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000140647746 441841578 /nfs/dbraw/zinc/84/15/78/441841578.db2.gz YUTLEQNQQDEYKU-SOUVJXGZSA-N 1 0 340.424 1.678 20 5 EDBDRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000068801093 441854536 /nfs/dbraw/zinc/85/45/36/441854536.db2.gz PTTHXZBHCNBXNX-IAGOWNOFSA-N 1 0 347.415 1.689 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)c1C ZINC000069129395 441896300 /nfs/dbraw/zinc/89/63/00/441896300.db2.gz INEZTFHRKFZFIN-NSHDSACASA-N 1 0 341.433 1.973 20 5 EDBDRO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174785497 441969027 /nfs/dbraw/zinc/96/90/27/441969027.db2.gz PHZGNNRCTUQMLS-GJZGRUSLSA-N 1 0 348.407 1.340 20 5 EDBDRO COc1cc(N2CC[C@@H](N3CCOCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000119792593 441953233 /nfs/dbraw/zinc/95/32/33/441953233.db2.gz AFEBCQSFYXWRPB-LLVKDONJSA-N 1 0 325.340 1.653 20 5 EDBDRO CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[N@H+](C)C1 ZINC000151114311 442008544 /nfs/dbraw/zinc/00/85/44/442008544.db2.gz XMLJTFVAFDCUSV-GFCCVEGCSA-N 1 0 344.371 1.603 20 5 EDBDRO NC(=O)CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000170734659 442253497 /nfs/dbraw/zinc/25/34/97/442253497.db2.gz PHADSJCJAAEDAP-CYBMUJFWSA-N 1 0 348.403 1.901 20 5 EDBDRO CC[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000153718623 442298327 /nfs/dbraw/zinc/29/83/27/442298327.db2.gz IFAHJZYMZPGCSR-ZYHUDNBSSA-N 1 0 328.800 1.925 20 5 EDBDRO COC1CC[NH+](CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000134479693 442487461 /nfs/dbraw/zinc/48/74/61/442487461.db2.gz BLUHLJFVIALPED-UHFFFAOYSA-N 1 0 325.340 1.575 20 5 EDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1Br ZINC000178753411 442475074 /nfs/dbraw/zinc/47/50/74/442475074.db2.gz CYPRVUQLUZYGIX-MRVPVSSYSA-N 1 0 328.166 1.839 20 5 EDBDRO CC[NH+](CC)CCNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000186169094 442478000 /nfs/dbraw/zinc/47/80/00/442478000.db2.gz CIAUYANXQJRRNC-UHFFFAOYSA-N 1 0 349.384 1.363 20 5 EDBDRO COCCC[N@H+](C)CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000172771497 442540489 /nfs/dbraw/zinc/54/04/89/442540489.db2.gz YDIYEGJYNHWBJR-UHFFFAOYSA-N 1 0 345.421 1.379 20 5 EDBDRO C[N@@H+]1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000180189203 442556223 /nfs/dbraw/zinc/55/62/23/442556223.db2.gz SDIULMZODGFRPN-ZBFHGGJFSA-N 1 0 329.360 1.353 20 5 EDBDRO CCOc1cccc([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000180716569 442651275 /nfs/dbraw/zinc/65/12/75/442651275.db2.gz SUCKHZDJRPXACY-IUODEOHRSA-N 1 0 334.376 1.902 20 5 EDBDRO COc1cc(OCC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000192482457 442652216 /nfs/dbraw/zinc/65/22/16/442652216.db2.gz IAAAQMKUFCMDST-TXEJJXNPSA-N 1 0 335.360 1.002 20 5 EDBDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157790782 442613730 /nfs/dbraw/zinc/61/37/30/442613730.db2.gz YPHHADPLGOTKIO-UONOGXRCSA-N 1 0 337.424 1.808 20 5 EDBDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157859899 442620397 /nfs/dbraw/zinc/62/03/97/442620397.db2.gz XQEGCIAZSBLSOM-KBPBESRZSA-N 1 0 337.424 1.808 20 5 EDBDRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000193269109 442728278 /nfs/dbraw/zinc/72/82/78/442728278.db2.gz LBSUHLFFXJCWGM-JTQLQIEISA-N 1 0 336.373 1.125 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000193310678 442731934 /nfs/dbraw/zinc/73/19/34/442731934.db2.gz ISFVPRAMYOYBHO-XQQFMLRXSA-N 1 0 339.417 1.569 20 5 EDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182653590 442800950 /nfs/dbraw/zinc/80/09/50/442800950.db2.gz GLRLKFHNOBZLSP-CQSZACIVSA-N 1 0 347.318 1.239 20 5 EDBDRO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1CC(C)(C)O ZINC000188754079 442805022 /nfs/dbraw/zinc/80/50/22/442805022.db2.gz OLSRIWQIGDUOII-NSHDSACASA-N 1 0 336.392 1.094 20 5 EDBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000193729555 442774951 /nfs/dbraw/zinc/77/49/51/442774951.db2.gz YPUOELXGOQOESQ-UHFFFAOYSA-N 1 0 334.376 1.786 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000268092827 442844698 /nfs/dbraw/zinc/84/46/98/442844698.db2.gz BIWKYJVUMXXTRC-DOMZBBRYSA-N 1 0 332.404 1.919 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000268184118 442888216 /nfs/dbraw/zinc/88/82/16/442888216.db2.gz CVQABQDCXPERPF-MFKMUULPSA-N 1 0 327.406 1.474 20 5 EDBDRO Cc1c(C[NH2+][C@@H](C(=O)N2CCOCC2)C(C)C)cccc1[N+](=O)[O-] ZINC000180073274 318465185 /nfs/dbraw/zinc/46/51/85/318465185.db2.gz MLPOUBLBISVBAF-MRXNPFEDSA-N 1 0 335.404 1.876 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000268221750 442905409 /nfs/dbraw/zinc/90/54/09/442905409.db2.gz JMRBMBAVYPSWPX-YPMHNXCESA-N 1 0 327.406 1.474 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000265815947 442932250 /nfs/dbraw/zinc/93/22/50/442932250.db2.gz VPQAYRXTPQTPBG-LSDHHAIUSA-N 1 0 345.403 1.623 20 5 EDBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000189525318 442972602 /nfs/dbraw/zinc/97/26/02/442972602.db2.gz AGBPDLYDZJBVQA-SMDDNHRTSA-N 1 0 346.387 1.784 20 5 EDBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000195155792 442990570 /nfs/dbraw/zinc/99/05/70/442990570.db2.gz PLWWMMNHQHHOPT-UHFFFAOYSA-N 1 0 349.366 1.521 20 5 EDBDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000266177962 443047071 /nfs/dbraw/zinc/04/70/71/443047071.db2.gz KQTCABSECBAXKO-WDEREUQCSA-N 1 0 345.396 1.837 20 5 EDBDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000296653214 318714647 /nfs/dbraw/zinc/71/46/47/318714647.db2.gz XPGJCOFRVXRYIX-LBPRGKRZSA-N 1 0 341.795 1.825 20 5 EDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000255431609 443099194 /nfs/dbraw/zinc/09/91/94/443099194.db2.gz UWSXVSRWJRCYRI-UTCJRWHESA-N 1 0 345.399 1.931 20 5 EDBDRO Cc1cccc(N2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000266472767 443137645 /nfs/dbraw/zinc/13/76/45/443137645.db2.gz RSAAFOBCSOLWSB-KRWDZBQOSA-N 1 0 345.403 1.283 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000266442015 443127791 /nfs/dbraw/zinc/12/77/91/443127791.db2.gz VPILLUNGMZBACP-GFCCVEGCSA-N 1 0 349.387 1.780 20 5 EDBDRO COc1ccccc1[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266550905 443165193 /nfs/dbraw/zinc/16/51/93/443165193.db2.gz UJCIBZJATOBSSB-UKRRQHHQSA-N 1 0 346.387 1.650 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000262473324 443196439 /nfs/dbraw/zinc/19/64/39/443196439.db2.gz JLGXATKNJZQDLE-VHSXEESVSA-N 1 0 329.378 1.022 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000266561926 443169238 /nfs/dbraw/zinc/16/92/38/443169238.db2.gz UJUCQBHGKOGEQE-CQSZACIVSA-N 1 0 336.392 1.157 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)cc1C ZINC000237666910 443178334 /nfs/dbraw/zinc/17/83/34/443178334.db2.gz WWHYJWXMXSCQGA-LBPRGKRZSA-N 1 0 327.406 1.632 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C[C@@H]12 ZINC000185195693 443158167 /nfs/dbraw/zinc/15/81/67/443158167.db2.gz YPDSIIBTJMKLLD-CUOATXAZSA-N 1 0 342.355 1.246 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCO[C@@H](c3ccccc3)C2)c1 ZINC000266538099 443161204 /nfs/dbraw/zinc/16/12/04/443161204.db2.gz OVFAZJJECQDYGR-HZPDHXFCSA-N 1 0 332.360 1.226 20 5 EDBDRO COc1cc(C(=O)N[C@H](C[NH3+])CC(C)C)cc([N+](=O)[O-])c1OC ZINC000269182211 443224878 /nfs/dbraw/zinc/22/48/78/443224878.db2.gz DVIDTKXJHMAMHI-NSHDSACASA-N 1 0 325.365 1.715 20 5 EDBDRO COCC1(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000326604106 318945549 /nfs/dbraw/zinc/94/55/49/318945549.db2.gz HDDVUNSTZXBAOI-DAXSKMNVSA-N 1 0 333.388 1.740 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H]2CC[N@H+](C)C2)c1F ZINC000411554566 319183917 /nfs/dbraw/zinc/18/39/17/319183917.db2.gz UDELTQWQEQRLHZ-JTQLQIEISA-N 1 0 325.340 1.353 20 5 EDBDRO COC(=O)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+](C)C1 ZINC000411899398 319211603 /nfs/dbraw/zinc/21/16/03/319211603.db2.gz BYAILXPWPOUIJP-GFCCVEGCSA-N 1 0 325.340 1.271 20 5 EDBDRO COCC(COC)[NH+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000413469185 319269566 /nfs/dbraw/zinc/26/95/66/319269566.db2.gz ASVLOMWHKUPHNZ-UHFFFAOYSA-N 1 0 349.391 1.255 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000414656167 319337333 /nfs/dbraw/zinc/33/73/33/319337333.db2.gz MRIXSJOZUBLXOY-CYBMUJFWSA-N 1 0 349.391 1.115 20 5 EDBDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000269344864 443287992 /nfs/dbraw/zinc/28/79/92/443287992.db2.gz HVHRDZXDWXLSLY-SNVBAGLBSA-N 1 0 347.824 1.963 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000264541369 443318635 /nfs/dbraw/zinc/31/86/35/443318635.db2.gz NSIIIDNLAOLYMD-GFCCVEGCSA-N 1 0 336.392 1.111 20 5 EDBDRO O=C1C[C@]2(CC[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)CN1 ZINC000619077480 450401770 /nfs/dbraw/zinc/40/17/70/450401770.db2.gz NLVGKFSYEIJVLB-MRXNPFEDSA-N 1 0 333.344 1.078 20 5 EDBDRO CCn1c(CC[NH3+])nnc1Sc1nc2sccn2c1[N+](=O)[O-] ZINC000267110388 443345228 /nfs/dbraw/zinc/34/52/28/443345228.db2.gz NDQJZBAWLHDEFK-UHFFFAOYSA-N 1 0 339.406 1.568 20 5 EDBDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000419273904 319580067 /nfs/dbraw/zinc/58/00/67/319580067.db2.gz QYUIXGTUMFFQEG-GXTWGEPZSA-N 1 0 348.403 1.291 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)C(C)(C)O ZINC000272573995 443368398 /nfs/dbraw/zinc/36/83/98/443368398.db2.gz KDSYTBNVJLNPLL-UHFFFAOYSA-N 1 0 325.365 1.681 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272582587 443371504 /nfs/dbraw/zinc/37/15/04/443371504.db2.gz GXBKKCBWNBGZFJ-ZFWWWQNUSA-N 1 0 333.388 1.916 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420315137 319609245 /nfs/dbraw/zinc/60/92/45/319609245.db2.gz WKHULGCBCPKAQF-ZJUUUORDSA-N 1 0 326.784 1.856 20 5 EDBDRO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420429162 319617624 /nfs/dbraw/zinc/61/76/24/319617624.db2.gz UAARRUTXJSTPGW-RYUDHWBXSA-N 1 0 327.406 1.136 20 5 EDBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267364697 443432392 /nfs/dbraw/zinc/43/23/92/443432392.db2.gz IRZMMAMDWAYGDD-AWEZNQCLSA-N 1 0 335.404 1.900 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272674123 443405309 /nfs/dbraw/zinc/40/53/09/443405309.db2.gz UGIQSITZCJQNPE-UKRRQHHQSA-N 1 0 347.371 1.339 20 5 EDBDRO CC[N@@H+]1CCCC[C@@H]1CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000272903428 443485031 /nfs/dbraw/zinc/48/50/31/443485031.db2.gz MKTPBXTZARBUJZ-GFCCVEGCSA-N 1 0 342.421 1.529 20 5 EDBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000269795478 443444812 /nfs/dbraw/zinc/44/48/12/443444812.db2.gz KUARSQQNKJJCFS-JSGCOSHPSA-N 1 0 333.388 1.719 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCOCC1 ZINC000264986293 443500024 /nfs/dbraw/zinc/50/00/24/443500024.db2.gz FPRICYOYOWNQPA-UHFFFAOYSA-N 1 0 346.387 1.917 20 5 EDBDRO CC(C)c1ccc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000423638718 319796156 /nfs/dbraw/zinc/79/61/56/319796156.db2.gz TXWYMAPQSMDZTJ-OAHLLOKOSA-N 1 0 346.431 1.838 20 5 EDBDRO O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423832572 319820721 /nfs/dbraw/zinc/82/07/21/319820721.db2.gz YHBRUJTXJGYRIP-KRWDZBQOSA-N 1 0 338.367 1.589 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000279377206 443569527 /nfs/dbraw/zinc/56/95/27/443569527.db2.gz XOFVDDRJBJEKPW-DGCLKSJQSA-N 1 0 337.376 1.683 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000272257439 443570827 /nfs/dbraw/zinc/57/08/27/443570827.db2.gz MJVRYCQXJDYIEG-DGCLKSJQSA-N 1 0 329.360 1.590 20 5 EDBDRO CC[NH+]1CCC(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000272278426 443577795 /nfs/dbraw/zinc/57/77/95/443577795.db2.gz SXDXYRCWQYVZHY-UHFFFAOYSA-N 1 0 335.389 1.814 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000265258582 443586090 /nfs/dbraw/zinc/58/60/90/443586090.db2.gz XWIKJHUYZYQFKX-HIFRSBDPSA-N 1 0 339.417 1.808 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000429154652 319921863 /nfs/dbraw/zinc/92/18/63/319921863.db2.gz LRBYGCPBDLNKGI-NEPJUHHUSA-N 1 0 349.387 1.494 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431024916 319937569 /nfs/dbraw/zinc/93/75/69/319937569.db2.gz QOWOQFFWPGKRQR-UHFFFAOYSA-N 1 0 348.403 1.617 20 5 EDBDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000433996470 319991041 /nfs/dbraw/zinc/99/10/41/319991041.db2.gz FAINOGJZDKWUJV-WBVHZDCISA-N 1 0 343.387 1.921 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000440353684 320073405 /nfs/dbraw/zinc/07/34/05/320073405.db2.gz IYEIPQSSXDEQTG-CHWSQXEVSA-N 1 0 341.433 1.878 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000286193312 443665902 /nfs/dbraw/zinc/66/59/02/443665902.db2.gz RXJWBJGNZYDNTC-GPCCPHFNSA-N 1 0 337.376 1.728 20 5 EDBDRO C[NH2+]CCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000440841988 320082742 /nfs/dbraw/zinc/08/27/42/320082742.db2.gz JTPFZKTXMXFJLL-UHFFFAOYSA-N 1 0 333.435 1.667 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000440861735 320084340 /nfs/dbraw/zinc/08/43/40/320084340.db2.gz RDNQHVPOPNIBPK-OAHLLOKOSA-N 1 0 341.433 1.825 20 5 EDBDRO O=C(C[NH2+]C1(CO)CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000441042915 320086491 /nfs/dbraw/zinc/08/64/91/320086491.db2.gz GGOOVDNRMJUFEE-UHFFFAOYSA-N 1 0 337.332 1.157 20 5 EDBDRO [NH3+]CC[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000449612639 320194552 /nfs/dbraw/zinc/19/45/52/320194552.db2.gz NPBXSWFDTLARMU-LBPRGKRZSA-N 1 0 330.335 1.886 20 5 EDBDRO [NH3+]CC[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(F)F ZINC000449612651 320194584 /nfs/dbraw/zinc/19/45/84/320194584.db2.gz NQJIZUGHWKACOB-NSHDSACASA-N 1 0 339.302 1.493 20 5 EDBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449734932 320202726 /nfs/dbraw/zinc/20/27/26/320202726.db2.gz SJLOGQSUBHQZPM-BLLLJJGKSA-N 1 0 341.371 1.605 20 5 EDBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000449753095 320205573 /nfs/dbraw/zinc/20/55/73/320205573.db2.gz NQQPBNQUUFOCCW-CQSZACIVSA-N 1 0 329.360 1.651 20 5 EDBDRO CNc1nc(C(=O)N2CCC([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000455368053 320301443 /nfs/dbraw/zinc/30/14/43/320301443.db2.gz LCYHKBSVAJUOQO-UHFFFAOYSA-N 1 0 333.392 1.732 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NC2CC[NH+](CC)CC2)cc([N+](=O)[O-])c1 ZINC000298199508 443718957 /nfs/dbraw/zinc/71/89/57/443718957.db2.gz WBRGYXRBGBTIQF-UHFFFAOYSA-N 1 0 349.387 1.986 20 5 EDBDRO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000298213697 443722399 /nfs/dbraw/zinc/72/23/99/443722399.db2.gz XQDMHSJGOXPMNE-INIZCTEOSA-N 1 0 337.420 1.893 20 5 EDBDRO Cc1csc([C@H](C)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000519819390 320473879 /nfs/dbraw/zinc/47/38/79/320473879.db2.gz DAHKDFCZVSMQHT-SKDRFNHKSA-N 1 0 325.394 1.310 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000288246979 443819139 /nfs/dbraw/zinc/81/91/39/443819139.db2.gz FZOQVEXBKUMUMU-UHFFFAOYSA-N 1 0 343.387 1.443 20 5 EDBDRO C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H](C)O1 ZINC000285078652 443846946 /nfs/dbraw/zinc/84/69/46/443846946.db2.gz LTJDDHBLPWUVGJ-GRYCIOLGSA-N 1 0 337.380 1.032 20 5 EDBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285315981 443938909 /nfs/dbraw/zinc/93/89/09/443938909.db2.gz NGPZUUNWJVXPPV-UHFFFAOYSA-N 1 0 333.352 1.424 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000281849387 444023033 /nfs/dbraw/zinc/02/30/33/444023033.db2.gz UKBLZSLLGXUAHW-UHFFFAOYSA-N 1 0 334.420 1.659 20 5 EDBDRO COc1cccc([C@@H]2C[C@H](O)C[N@@H+]2CCn2cc([N+](=O)[O-])cn2)c1 ZINC000282070294 444078391 /nfs/dbraw/zinc/07/83/91/444078391.db2.gz HBSQDADBHATNKQ-HOCLYGCPSA-N 1 0 332.360 1.608 20 5 EDBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H](C)C1 ZINC000285662812 444064315 /nfs/dbraw/zinc/06/43/15/444064315.db2.gz ZDYOTOWLRZLKLJ-VXGBXAGGSA-N 1 0 339.396 1.185 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000567869215 321262964 /nfs/dbraw/zinc/26/29/64/321262964.db2.gz QERKYFPIMYPVCC-OAHLLOKOSA-N 1 0 339.417 1.667 20 5 EDBDRO [NH3+]CC[C@H]1CCCCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000285758925 444098772 /nfs/dbraw/zinc/09/87/72/444098772.db2.gz AAODAIZLMKOHCY-CQSZACIVSA-N 1 0 348.403 1.445 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000570071671 321336690 /nfs/dbraw/zinc/33/66/90/321336690.db2.gz GPYMNBNQICZVQK-MELADBBJSA-N 1 0 348.403 1.661 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2ccc(F)cc2F)c1 ZINC000571874635 321404592 /nfs/dbraw/zinc/40/45/92/321404592.db2.gz AYCKKLCTGBSQMG-ZDUSSCGKSA-N 1 0 326.303 1.263 20 5 EDBDRO COc1ccc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000285794804 444110233 /nfs/dbraw/zinc/11/02/33/444110233.db2.gz NSDUMYHGPBLWGE-HIFRSBDPSA-N 1 0 335.360 1.149 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000289345294 444113788 /nfs/dbraw/zinc/11/37/88/444113788.db2.gz MIMRIRXXKUYKAP-MRXNPFEDSA-N 1 0 336.392 1.721 20 5 EDBDRO CCC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000301370011 444167166 /nfs/dbraw/zinc/16/71/66/444167166.db2.gz USHOMVNFSNJVRW-UHFFFAOYSA-N 1 0 342.421 1.164 20 5 EDBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000302682387 444219536 /nfs/dbraw/zinc/21/95/36/444219536.db2.gz XIVKDYAPFLITQZ-UHFFFAOYSA-N 1 0 327.406 1.752 20 5 EDBDRO COCC1CCC([NH2+][C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000295275336 444174889 /nfs/dbraw/zinc/17/48/89/444174889.db2.gz VXXOSTJNYSSRTA-BLMDWJLWSA-N 1 0 338.404 1.784 20 5 EDBDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000289618432 444181636 /nfs/dbraw/zinc/18/16/36/444181636.db2.gz RHVOMBCGWQAHPY-SNVBAGLBSA-N 1 0 333.385 1.741 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000295511990 444187563 /nfs/dbraw/zinc/18/75/63/444187563.db2.gz QAMZPQWOOQFROM-AWEZNQCLSA-N 1 0 337.424 1.726 20 5 EDBDRO C[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@@H]1c1ccc(F)cc1 ZINC000301817407 444192075 /nfs/dbraw/zinc/19/20/75/444192075.db2.gz FDBVWELGJJLTOZ-YPMHNXCESA-N 1 0 332.339 1.963 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000290149917 444248939 /nfs/dbraw/zinc/24/89/39/444248939.db2.gz OKUKCNWLCCIQPO-UHFFFAOYSA-N 1 0 347.419 1.689 20 5 EDBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000290378638 444273352 /nfs/dbraw/zinc/27/33/52/444273352.db2.gz BUJIGDDYTFFTPO-UHFFFAOYSA-N 1 0 338.408 1.256 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000318235560 444318581 /nfs/dbraw/zinc/31/85/81/444318581.db2.gz KTOVNOMURYZQAL-SMDDNHRTSA-N 1 0 325.390 1.276 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000290567970 444296329 /nfs/dbraw/zinc/29/63/29/444296329.db2.gz GJKQZQGGZPRDQB-UHFFFAOYSA-N 1 0 342.827 1.862 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000314336331 444299944 /nfs/dbraw/zinc/29/99/44/444299944.db2.gz MCVATSDZMXVMAY-LLVKDONJSA-N 1 0 325.390 1.548 20 5 EDBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000323460419 444343132 /nfs/dbraw/zinc/34/31/32/444343132.db2.gz CJPFZZRWHVPUAB-NXEZZACHSA-N 1 0 335.389 1.875 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCC[C@@H]2O)cc1 ZINC000578359172 321763739 /nfs/dbraw/zinc/76/37/39/321763739.db2.gz SNOCRNNWOWBADV-RISCZKNCSA-N 1 0 328.390 1.119 20 5 EDBDRO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000580929107 322112794 /nfs/dbraw/zinc/11/27/94/322112794.db2.gz DRWCBLWDVIWAPC-DOMZBBRYSA-N 1 0 345.403 1.629 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@H]1C1(O)CC1 ZINC000581296110 322159994 /nfs/dbraw/zinc/15/99/94/322159994.db2.gz GBAQDBRFXSUZBR-HNNXBMFYSA-N 1 0 349.387 1.921 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000581688408 322209373 /nfs/dbraw/zinc/20/93/73/322209373.db2.gz ZYXAQPPISHIZRI-SFHVURJKSA-N 1 0 347.415 1.707 20 5 EDBDRO COC(=O)[C@@H]1CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000343763558 444573640 /nfs/dbraw/zinc/57/36/40/444573640.db2.gz VWTYJNVPPGSPAA-LLVKDONJSA-N 1 0 349.343 1.388 20 5 EDBDRO CC[C@H]([NH2+]CCC(=O)N(C)CC(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000342297506 444618204 /nfs/dbraw/zinc/61/82/04/444618204.db2.gz XIZATYYZCDQWEC-AWEZNQCLSA-N 1 0 337.376 1.657 20 5 EDBDRO COc1cc(C(=O)NCC2([NH3+])CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000342624139 444783319 /nfs/dbraw/zinc/78/33/19/444783319.db2.gz XMLRBEQZQWDTTK-UHFFFAOYSA-N 1 0 345.302 1.816 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[N@H+](C)C3)n1 ZINC000338739263 444830625 /nfs/dbraw/zinc/83/06/25/444830625.db2.gz BCLDEWZTBKZYTL-INIZCTEOSA-N 1 0 334.376 1.699 20 5 EDBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)cc([N+](=O)[O-])c1 ZINC000342955845 444965523 /nfs/dbraw/zinc/96/55/23/444965523.db2.gz LNBSRCQMUZVEPJ-CQSZACIVSA-N 1 0 339.367 1.701 20 5 EDBDRO COc1cc(C(=O)N(C)C[C@@H]2C[C@@H](OC)C[N@H+]2C)ccc1[N+](=O)[O-] ZINC000344502951 445017474 /nfs/dbraw/zinc/01/74/74/445017474.db2.gz CJLQUOZWDRTINJ-QWHCGFSZSA-N 1 0 337.376 1.395 20 5 EDBDRO CC[N@@H+]1C[C@H](C)N(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000330596122 445053491 /nfs/dbraw/zinc/05/34/91/445053491.db2.gz XYMKZEFTDIUXBM-KBPBESRZSA-N 1 0 334.420 1.972 20 5 EDBDRO CO[C@@H]1C[C@H](CN(C)c2ncnc3sc([N+](=O)[O-])cc32)[N@H+](C)C1 ZINC000343308378 445192075 /nfs/dbraw/zinc/19/20/75/445192075.db2.gz YKMFHAVTOZTPLF-NXEZZACHSA-N 1 0 337.405 1.755 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCCCC[C@H]2CCO)c1 ZINC000342056051 445147616 /nfs/dbraw/zinc/14/76/16/445147616.db2.gz GSPOJCFMCFZTKE-HOCLYGCPSA-N 1 0 338.404 1.962 20 5 EDBDRO C[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000346060935 445205662 /nfs/dbraw/zinc/20/56/62/445205662.db2.gz DIPHMLFBSCHYCZ-DZGCQCFKSA-N 1 0 334.420 1.833 20 5 EDBDRO C[NH+](C)CCn1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000351748314 445306299 /nfs/dbraw/zinc/30/62/99/445306299.db2.gz HDCIWRMWFLFXPO-UHFFFAOYSA-N 1 0 345.403 2.269 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000348179698 445306830 /nfs/dbraw/zinc/30/68/30/445306830.db2.gz GPTNABFQHKILGA-PWSUYJOCSA-N 1 0 325.340 1.747 20 5 EDBDRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000348384990 445272535 /nfs/dbraw/zinc/27/25/35/445272535.db2.gz SXXMPQBZCUEZFH-ZDUSSCGKSA-N 1 0 348.359 1.477 20 5 EDBDRO CCOC(=O)COCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000351711828 445286286 /nfs/dbraw/zinc/28/62/86/445286286.db2.gz KKLRXUXTOSEIAV-LBPRGKRZSA-N 1 0 338.364 1.056 20 5 EDBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCOC1 ZINC000348143068 445287656 /nfs/dbraw/zinc/28/76/56/445287656.db2.gz OSVFWHIGEHKJFM-OCCSQVGLSA-N 1 0 333.388 1.889 20 5 EDBDRO COc1ccc(NC(=O)CCN2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000357065260 445404390 /nfs/dbraw/zinc/40/43/90/445404390.db2.gz AAYPFDSFCPFQTJ-CHWSQXEVSA-N 1 0 348.403 1.473 20 5 EDBDRO COc1ccc(C(=O)NC[C@](C)(O)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000352124203 445507581 /nfs/dbraw/zinc/50/75/81/445507581.db2.gz WKUNYKQDYILIIS-OAHLLOKOSA-N 1 0 325.365 1.036 20 5 EDBDRO O=[N+]([O-])c1cc2ccccc2nc1NCC1CC[NH+](CCO)CC1 ZINC000352366530 445523875 /nfs/dbraw/zinc/52/38/75/445523875.db2.gz GGHUTQBLFKWQGR-UHFFFAOYSA-N 1 0 330.388 2.259 20 5 EDBDRO COC[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC[NH2+]1 ZINC000357282849 445524180 /nfs/dbraw/zinc/52/41/80/445524180.db2.gz FNJWQYOLZXANMA-CQSZACIVSA-N 1 0 327.768 1.747 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000360118800 445577171 /nfs/dbraw/zinc/57/71/71/445577171.db2.gz RQSXYLUEANNLKI-UONOGXRCSA-N 1 0 339.417 1.863 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000360135019 445587964 /nfs/dbraw/zinc/58/79/64/445587964.db2.gz ONABKXGCGNXCIM-CYBMUJFWSA-N 1 0 337.376 1.904 20 5 EDBDRO COc1ccc(C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000356053050 445591599 /nfs/dbraw/zinc/59/15/99/445591599.db2.gz WEZIYSWADRDRBQ-WCQYABFASA-N 1 0 337.376 1.131 20 5 EDBDRO C[NH+](C)CCOCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000349745932 445662933 /nfs/dbraw/zinc/66/29/33/445662933.db2.gz PFKSVMVMMIIWBL-UHFFFAOYSA-N 1 0 329.784 1.485 20 5 EDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000360278175 445672545 /nfs/dbraw/zinc/67/25/45/445672545.db2.gz FFJUNYLRWDRLGS-GJZGRUSLSA-N 1 0 334.376 1.658 20 5 EDBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000356291056 445721593 /nfs/dbraw/zinc/72/15/93/445721593.db2.gz XSYUCKMRTAHMQU-MRXNPFEDSA-N 1 0 335.408 1.471 20 5 EDBDRO O=C(NCC[N@H+]1CC=CCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000350081899 445763980 /nfs/dbraw/zinc/76/39/80/445763980.db2.gz OKFQPKFAXADYHU-UHFFFAOYSA-N 1 0 341.371 1.772 20 5 EDBDRO C[NH+](C)CCOCCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000353942908 445821252 /nfs/dbraw/zinc/82/12/52/445821252.db2.gz ZZVBPYVCTIEUOZ-UHFFFAOYSA-N 1 0 330.772 1.948 20 5 EDBDRO CN(CCC[NH+]1CCCC1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000350318479 445811491 /nfs/dbraw/zinc/81/14/91/445811491.db2.gz NWQAHGSPSTWGRB-UHFFFAOYSA-N 1 0 341.433 1.842 20 5 EDBDRO CC[C@@H]1CN2CCCC[C@H]2C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000363507403 445836958 /nfs/dbraw/zinc/83/69/58/445836958.db2.gz VWPUPOFZAAPSKC-YCPHGPKFSA-N 1 0 337.424 1.101 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000358917393 445847213 /nfs/dbraw/zinc/84/72/13/445847213.db2.gz VWTWUEGTMZSXIU-AWEZNQCLSA-N 1 0 336.392 1.423 20 5 EDBDRO Cn1c(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000359153928 445985626 /nfs/dbraw/zinc/98/56/26/445985626.db2.gz MPUYXEAVRQAFNX-UHFFFAOYSA-N 1 0 343.387 1.723 20 5 EDBDRO NC(=O)[C@H](Cc1ccccc1)[NH2+]CCNc1ccccc1[N+](=O)[O-] ZINC000351344595 446037488 /nfs/dbraw/zinc/03/74/88/446037488.db2.gz WDZNOLJDXYJMCK-HNNXBMFYSA-N 1 0 328.372 1.693 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000583138210 326010247 /nfs/dbraw/zinc/01/02/47/326010247.db2.gz GDIQNKFKSAUCRF-UHFFFAOYSA-N 1 0 345.808 1.765 20 5 EDBDRO C[C@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000361930765 446080390 /nfs/dbraw/zinc/08/03/90/446080390.db2.gz XEBFNLHOPLMVQU-DOTOQJQBSA-N 1 0 348.447 1.432 20 5 EDBDRO CC[NH+]1CCC(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC1 ZINC000351519648 446121762 /nfs/dbraw/zinc/12/17/62/446121762.db2.gz PKQXMNDPPVVXHE-UHFFFAOYSA-N 1 0 341.433 1.974 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365537910 446245430 /nfs/dbraw/zinc/24/54/30/446245430.db2.gz LWWRSQCWXXADBO-OFQRWUPVSA-N 1 0 344.415 1.949 20 5 EDBDRO CC(C)(C)OC[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365513041 446236805 /nfs/dbraw/zinc/23/68/05/446236805.db2.gz NQEFUQPBGREBPI-CYBMUJFWSA-N 1 0 326.397 1.604 20 5 EDBDRO COCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CC=CCC1 ZINC000362251737 446286545 /nfs/dbraw/zinc/28/65/45/446286545.db2.gz YVJDWOXPNGPFEX-HOCLYGCPSA-N 1 0 338.408 1.457 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000376189062 446372635 /nfs/dbraw/zinc/37/26/35/446372635.db2.gz RWPGKHQLVWTWLL-CHWSQXEVSA-N 1 0 349.387 1.965 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000374786156 446393630 /nfs/dbraw/zinc/39/36/30/446393630.db2.gz YPSPGIZJZMYMHD-TVQRCGJNSA-N 1 0 345.808 1.539 20 5 EDBDRO O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)c1csc([N+](=O)[O-])c1 ZINC000370769473 446427034 /nfs/dbraw/zinc/42/70/34/446427034.db2.gz BQQLNKSANBWTGN-AAEUAGOBSA-N 1 0 339.417 1.887 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@H]1Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000420247808 446430545 /nfs/dbraw/zinc/43/05/45/446430545.db2.gz VSKDPUHFRQTYAP-BXUZGUMPSA-N 1 0 343.387 1.969 20 5 EDBDRO C[C@@H]1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000418000339 446411472 /nfs/dbraw/zinc/41/14/72/446411472.db2.gz WWISJIDIYCBCMH-SNVBAGLBSA-N 1 0 326.784 1.794 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+][C@H](C)[C@H]1C ZINC000420302218 446466227 /nfs/dbraw/zinc/46/62/27/446466227.db2.gz BLVMNUALNCUMFL-VXGBXAGGSA-N 1 0 336.392 1.614 20 5 EDBDRO COc1ccc(OCCN2CC[NH2+]C[C@@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000420331877 446501286 /nfs/dbraw/zinc/50/12/86/446501286.db2.gz MQIRZMWQWDPQLV-OAHLLOKOSA-N 1 0 327.356 1.616 20 5 EDBDRO C[C@H]1C[N@H+](CCCNc2ncnc3cccc([N+](=O)[O-])c32)CCCO1 ZINC000432880492 446513200 /nfs/dbraw/zinc/51/32/00/446513200.db2.gz NYGVZSVVUCLUKZ-ZDUSSCGKSA-N 1 0 345.403 2.451 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC[NH2+]C(C)(C)C ZINC000411395891 446518334 /nfs/dbraw/zinc/51/83/34/446518334.db2.gz IRGQSSSCCCXEGI-UHFFFAOYSA-N 1 0 336.392 1.654 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[NH2+]C(C)(C)C ZINC000411401114 446519579 /nfs/dbraw/zinc/51/95/79/446519579.db2.gz WLYBRGKDGDJEPI-UHFFFAOYSA-N 1 0 336.392 1.654 20 5 EDBDRO C[NH+](C)[C@H]1CCc2ccccc2[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000370917303 446519647 /nfs/dbraw/zinc/51/96/47/446519647.db2.gz MIVXCROJAZNBGM-DOTOQJQBSA-N 1 0 343.387 1.525 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(c3cn[nH]c3)CC2)c1 ZINC000376487218 446528616 /nfs/dbraw/zinc/52/86/16/446528616.db2.gz WICJMTSSZBWCRV-MRXNPFEDSA-N 1 0 346.387 1.937 20 5 EDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000420357803 446537971 /nfs/dbraw/zinc/53/79/71/446537971.db2.gz DSGLGVJOIGXMPG-AVRGHOLYSA-N 1 0 332.404 1.676 20 5 EDBDRO CN1CC[C@H]2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375052785 446545823 /nfs/dbraw/zinc/54/58/23/446545823.db2.gz ZPSADYPGPLFTMA-ONGXEEELSA-N 1 0 345.446 1.590 20 5 EDBDRO COC[C@@]1(CNC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000423632467 446617126 /nfs/dbraw/zinc/61/71/26/446617126.db2.gz JVECOKADBGVCNQ-INIZCTEOSA-N 1 0 337.376 1.410 20 5 EDBDRO C[NH2+]C1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420413756 446586786 /nfs/dbraw/zinc/58/67/86/446586786.db2.gz FSITYCBXCRWLMQ-UHFFFAOYSA-N 1 0 327.406 1.151 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420443341 446619156 /nfs/dbraw/zinc/61/91/56/446619156.db2.gz ZADBDPUYSANPGL-AAEUAGOBSA-N 1 0 327.406 1.197 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000423591542 446592973 /nfs/dbraw/zinc/59/29/73/446592973.db2.gz JLTLQHAXHZSWRT-GXTWGEPZSA-N 1 0 348.403 1.159 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000420444172 446619965 /nfs/dbraw/zinc/61/99/65/446619965.db2.gz GPWJEYLSDMLUIQ-TZMCWYRMSA-N 1 0 341.433 1.526 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc([N+](=O)[O-])c1 ZINC000423678950 446637880 /nfs/dbraw/zinc/63/78/80/446637880.db2.gz LFEXPLWUKUIFCV-TXEJJXNPSA-N 1 0 347.371 1.453 20 5 EDBDRO C[C@H]1CCCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000420469370 446646007 /nfs/dbraw/zinc/64/60/07/446646007.db2.gz ZAGCKPAPRIIFNA-WFASDCNBSA-N 1 0 341.433 1.526 20 5 EDBDRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000423654093 446626018 /nfs/dbraw/zinc/62/60/18/446626018.db2.gz AIMOQMJKVVQRIK-RDDDGLTNSA-N 1 0 328.166 1.919 20 5 EDBDRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000423821116 446710363 /nfs/dbraw/zinc/71/03/63/446710363.db2.gz DGHLNWQJWHNKMV-TZMCWYRMSA-N 1 0 335.408 1.862 20 5 EDBDRO COC(=O)[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+](C)C1 ZINC000411913341 446726258 /nfs/dbraw/zinc/72/62/58/446726258.db2.gz IYFFVQJSVZTDNK-NSHDSACASA-N 1 0 347.375 1.008 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437841924 446764357 /nfs/dbraw/zinc/76/43/57/446764357.db2.gz KMUIRMKFMGFEHY-CYBMUJFWSA-N 1 0 335.408 1.855 20 5 EDBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000423975209 446803453 /nfs/dbraw/zinc/80/34/53/446803453.db2.gz LHLOLGLZYZLNEL-OAHLLOKOSA-N 1 0 344.371 1.135 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000423975470 446803789 /nfs/dbraw/zinc/80/37/89/446803789.db2.gz MWSROMZLBHTMEP-SJKOYZFVSA-N 1 0 348.403 1.076 20 5 EDBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000423980531 446805099 /nfs/dbraw/zinc/80/50/99/446805099.db2.gz QGPRVRDQBFXPQM-HNNXBMFYSA-N 1 0 345.403 1.868 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000371515595 446907829 /nfs/dbraw/zinc/90/78/29/446907829.db2.gz BEYNFTFPFOLFJN-LBPRGKRZSA-N 1 0 337.351 1.809 20 5 EDBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000442620254 446916295 /nfs/dbraw/zinc/91/62/95/446916295.db2.gz IIKASRPDJICOST-CYBMUJFWSA-N 1 0 343.387 1.982 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000442780761 446965538 /nfs/dbraw/zinc/96/55/38/446965538.db2.gz LKPHIMPBUFVMLM-SRVKXCTJSA-N 1 0 336.392 1.600 20 5 EDBDRO C[C@@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC000419151165 446966719 /nfs/dbraw/zinc/96/67/19/446966719.db2.gz NGCIURSDSOKVSN-UPJWGTAASA-N 1 0 346.387 1.125 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000419168679 446984920 /nfs/dbraw/zinc/98/49/20/446984920.db2.gz QNAFDMORJVHVNQ-QEJZJMRPSA-N 1 0 348.403 1.406 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000419271026 447047299 /nfs/dbraw/zinc/04/72/99/447047299.db2.gz OGFQPBNVBOTREZ-OUCADQQQSA-N 1 0 348.403 1.324 20 5 EDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000368720351 447065667 /nfs/dbraw/zinc/06/56/67/447065667.db2.gz XPHRAZQMOGETDH-SNVBAGLBSA-N 1 0 330.344 1.721 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000421454346 447164911 /nfs/dbraw/zinc/16/49/11/447164911.db2.gz QUWKNYFFRVMTBK-UHFFFAOYSA-N 1 0 331.376 2.222 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000377531022 447185198 /nfs/dbraw/zinc/18/51/98/447185198.db2.gz SHLPINJKKSXOPT-INIZCTEOSA-N 1 0 337.351 1.715 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000421793036 447253205 /nfs/dbraw/zinc/25/32/05/447253205.db2.gz SSFYSTYLVGKTPZ-UHFFFAOYSA-N 1 0 335.404 1.740 20 5 EDBDRO CN1C(=O)NCC12CC[NH+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000425536992 447217159 /nfs/dbraw/zinc/21/71/59/447217159.db2.gz GUFTYTZXCSVMOY-UHFFFAOYSA-N 1 0 334.376 1.463 20 5 EDBDRO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000368972202 447234449 /nfs/dbraw/zinc/23/44/49/447234449.db2.gz FOYMBWJZNNCWJV-PJODQICGSA-N 1 0 346.387 1.509 20 5 EDBDRO Cc1nc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)ncc1[N+](=O)[O-] ZINC000450395832 447477591 /nfs/dbraw/zinc/47/75/91/447477591.db2.gz SHPVJWJEZOXRCM-ZFWWWQNUSA-N 1 0 335.408 1.873 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415505480 447485529 /nfs/dbraw/zinc/48/55/29/447485529.db2.gz YYIYXISYTOICDY-LBPRGKRZSA-N 1 0 334.376 1.361 20 5 EDBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000457062315 447508554 /nfs/dbraw/zinc/50/85/54/447508554.db2.gz UQGZBRGZPLRZST-UHFFFAOYSA-N 1 0 335.360 1.928 20 5 EDBDRO O=[N+]([O-])c1cc2ccccc2nc1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000450796114 447579178 /nfs/dbraw/zinc/57/91/78/447579178.db2.gz VDOQNGFWWFPDBG-OKILXGFUSA-N 1 0 328.372 2.418 20 5 EDBDRO COC(=O)Cc1ccc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC000450796131 447579249 /nfs/dbraw/zinc/57/92/49/447579249.db2.gz VIECPZDYQZHIHF-OKILXGFUSA-N 1 0 349.387 1.585 20 5 EDBDRO O=[N+]([O-])c1c(N[C@H]2CCC[N@@H+](CCCO)C2)nc2sccn21 ZINC000450622381 447540012 /nfs/dbraw/zinc/54/00/12/447540012.db2.gz YVOVLHGBROFQBS-JTQLQIEISA-N 1 0 325.394 1.563 20 5 EDBDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420010506 447544103 /nfs/dbraw/zinc/54/41/03/447544103.db2.gz GYKHUXZYWPELHI-HNNXBMFYSA-N 1 0 348.403 1.185 20 5 EDBDRO C[C@@H]1NC(=O)N(CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1=O ZINC000459352034 447643429 /nfs/dbraw/zinc/64/34/29/447643429.db2.gz RIKBHYPNNSRIEA-NSHDSACASA-N 1 0 332.360 1.500 20 5 EDBDRO [NH3+]C1CCC(Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000420157035 447644328 /nfs/dbraw/zinc/64/43/28/447644328.db2.gz FXVPSZDIMOZROE-UHFFFAOYSA-N 1 0 348.403 1.749 20 5 EDBDRO Cn1ccnc1C(=O)c1ccc(NC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420164355 447648891 /nfs/dbraw/zinc/64/88/91/447648891.db2.gz GIWFWDHIOMDTRZ-GFCCVEGCSA-N 1 0 343.387 1.971 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CCN(C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000408338439 447652372 /nfs/dbraw/zinc/65/23/72/447652372.db2.gz ZNGMLZNXZBZIDQ-OLZOCXBDSA-N 1 0 341.433 1.925 20 5 EDBDRO C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000451086478 447675445 /nfs/dbraw/zinc/67/54/45/447675445.db2.gz MPISIAQTSLUKTP-LBPRGKRZSA-N 1 0 332.404 1.610 20 5 EDBDRO C[C@@H](C[NH3+])Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000420242987 447683837 /nfs/dbraw/zinc/68/38/37/447683837.db2.gz IYNOEDXXEGTUGT-NSHDSACASA-N 1 0 342.421 1.529 20 5 EDBDRO O=C(c1ccccc1)c1ccc(NC[C@@H]2C[NH2+]C[C@@H]2O)c([N+](=O)[O-])c1 ZINC000420241395 447683923 /nfs/dbraw/zinc/68/39/23/447683923.db2.gz AZLJOWHWYFMBNU-YOEHRIQHSA-N 1 0 341.367 1.818 20 5 EDBDRO COCC1(CNc2ncc(C(=O)OC)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000420240876 447684049 /nfs/dbraw/zinc/68/40/49/447684049.db2.gz MKOIDRYWMKAZLP-UHFFFAOYSA-N 1 0 338.364 1.205 20 5 EDBDRO COc1ccc(CSCC(=O)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000429132007 447730214 /nfs/dbraw/zinc/73/02/14/447730214.db2.gz VFWUKUPRYTZLOQ-GFCCVEGCSA-N 1 0 341.433 1.936 20 5 EDBDRO CO[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000451486765 447734937 /nfs/dbraw/zinc/73/49/37/447734937.db2.gz DWWDWHRQENSGIK-KBPBESRZSA-N 1 0 342.417 1.772 20 5 EDBDRO COc1ccc(-c2ccc(C[N@H+]3C[C@H](CO)[C@H](O)C3)o2)c([N+](=O)[O-])c1 ZINC000459707002 447746743 /nfs/dbraw/zinc/74/67/43/447746743.db2.gz NYMBKJINVBXFAD-BDJLRTHQSA-N 1 0 348.355 1.648 20 5 EDBDRO CC(C)[C@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000489324266 447854872 /nfs/dbraw/zinc/85/48/72/447854872.db2.gz DHMUMDPDUDFTBJ-OAHLLOKOSA-N 1 0 348.403 1.123 20 5 EDBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000487270895 447828830 /nfs/dbraw/zinc/82/88/30/447828830.db2.gz KLWOXFAGKHJAMN-NWDGAFQWSA-N 1 0 341.433 1.897 20 5 EDBDRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])O1 ZINC000570862057 448077948 /nfs/dbraw/zinc/07/79/48/448077948.db2.gz GJYCTCQUGKPXGK-PEYYIBSZSA-N 1 0 333.388 1.808 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CO)CC2CCCCC2)c1 ZINC000571446370 448156555 /nfs/dbraw/zinc/15/65/55/448156555.db2.gz SDVGUYZMEKWBOU-HIFRSBDPSA-N 1 0 326.397 1.073 20 5 EDBDRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000571187521 448121768 /nfs/dbraw/zinc/12/17/68/448121768.db2.gz UZUJBKCYVHNXOC-QGZVFWFLSA-N 1 0 344.371 1.263 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1cccc2c1OCO2 ZINC000577051614 448200740 /nfs/dbraw/zinc/20/07/40/448200740.db2.gz OPOQPSKVQZHGMV-CYBMUJFWSA-N 1 0 346.339 1.853 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCN(CC(F)F)C2)c1 ZINC000515166407 448267933 /nfs/dbraw/zinc/26/79/33/448267933.db2.gz OIERJQBQWXRFCC-WCQYABFASA-N 1 0 345.346 1.264 20 5 EDBDRO COCC[C@]1([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000515123800 448261458 /nfs/dbraw/zinc/26/14/58/448261458.db2.gz AXZGZWFOARAJBM-KRWDZBQOSA-N 1 0 349.387 1.269 20 5 EDBDRO [NH3+]CC[C@@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F ZINC000591283018 448306523 /nfs/dbraw/zinc/30/65/23/448306523.db2.gz NCJKNISJPFZMLG-GFCCVEGCSA-N 1 0 335.282 1.735 20 5 EDBDRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000591291863 448309021 /nfs/dbraw/zinc/30/90/21/448309021.db2.gz CSLKEAWGKCRTPY-SECBINFHSA-N 1 0 340.767 1.445 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000591303918 448314978 /nfs/dbraw/zinc/31/49/78/448314978.db2.gz GLIBUNBFSDUQJW-TZMCWYRMSA-N 1 0 348.403 1.682 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000577512502 448318616 /nfs/dbraw/zinc/31/86/16/448318616.db2.gz AXPKXAOARCCFAQ-HZPDHXFCSA-N 1 0 346.383 1.528 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000492780029 448289874 /nfs/dbraw/zinc/28/98/74/448289874.db2.gz DVGXTIASPJSMHP-DKLOGILVSA-N 1 0 331.372 1.540 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)cc1C ZINC000515828607 448354136 /nfs/dbraw/zinc/35/41/36/448354136.db2.gz QXPFXAWOWBRYOR-UHFFFAOYSA-N 1 0 339.417 1.728 20 5 EDBDRO CS(=O)(=O)c1ccc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])c1 ZINC000591436527 448362417 /nfs/dbraw/zinc/36/24/17/448362417.db2.gz BHLIMHGRMNUVKA-CMPLNLGQSA-N 1 0 325.390 1.187 20 5 EDBDRO CS(=O)(=O)c1ccc(N2CCC3(CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000591441919 448364638 /nfs/dbraw/zinc/36/46/38/448364638.db2.gz KVOVMYXVEWWBOF-UHFFFAOYSA-N 1 0 339.417 1.578 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000591446261 448366182 /nfs/dbraw/zinc/36/61/82/448366182.db2.gz YBAWWRSYAKRQGI-KBPBESRZSA-N 1 0 337.424 1.842 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000591449941 448368212 /nfs/dbraw/zinc/36/82/12/448368212.db2.gz SXJHVHOJNYCFLB-SNVBAGLBSA-N 1 0 329.378 1.024 20 5 EDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591351707 448336786 /nfs/dbraw/zinc/33/67/86/448336786.db2.gz ZUYSVKCUCMSPNI-ZDUSSCGKSA-N 1 0 336.392 1.744 20 5 EDBDRO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCOCC1 ZINC000533310198 448385008 /nfs/dbraw/zinc/38/50/08/448385008.db2.gz UUTJWMRWKFOBFB-UHFFFAOYSA-N 1 0 337.332 1.373 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccccc2N2CCCC2)c1 ZINC000591727967 448473724 /nfs/dbraw/zinc/47/37/24/448473724.db2.gz QVJAIBUGUWMNCL-MRXNPFEDSA-N 1 0 345.403 1.542 20 5 EDBDRO COC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC(C)CC1 ZINC000591764057 448484462 /nfs/dbraw/zinc/48/44/62/448484462.db2.gz ZMENUTTWTYGXJX-HNFVBEJKSA-N 1 0 326.397 1.337 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000572869845 448485469 /nfs/dbraw/zinc/48/54/69/448485469.db2.gz TVLFGSKKDRWCAD-BBRMVZONSA-N 1 0 335.404 1.408 20 5 EDBDRO CO[C@@H]([C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000591770436 448487422 /nfs/dbraw/zinc/48/74/22/448487422.db2.gz HCMGBIJCSPBWDA-ABAIWWIYSA-N 1 0 342.417 1.772 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000573581290 448664373 /nfs/dbraw/zinc/66/43/73/448664373.db2.gz UWBUVGVDGGEYBD-AAEUAGOBSA-N 1 0 332.303 1.648 20 5 EDBDRO COC(=O)c1ccc(OCc2nc(C(C)(C)[NH3+])no2)cc1[N+](=O)[O-] ZINC000592163274 448718989 /nfs/dbraw/zinc/71/89/89/448718989.db2.gz FGXHCUPWABOMMY-UHFFFAOYSA-N 1 0 336.304 1.537 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000592245615 448761593 /nfs/dbraw/zinc/76/15/93/448761593.db2.gz NUDKUKIRHXVEKE-UHFFFAOYSA-N 1 0 336.377 1.504 20 5 EDBDRO NC(=O)c1ccc(SCc2nc([C@H]3CCC[NH2+]3)no2)c([N+](=O)[O-])c1 ZINC000592357348 448804408 /nfs/dbraw/zinc/80/44/08/448804408.db2.gz YBTOWTITRTYEON-SECBINFHSA-N 1 0 349.372 1.794 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(C)([NH3+])CC2)cc1C ZINC000592380308 448812654 /nfs/dbraw/zinc/81/26/54/448812654.db2.gz WHMBMUXLGZSKNS-UHFFFAOYSA-N 1 0 327.406 1.714 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000592381801 448813666 /nfs/dbraw/zinc/81/36/66/448813666.db2.gz FOFAYVCQWNCLIX-DZGCQCFKSA-N 1 0 341.433 1.526 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000592307340 448784293 /nfs/dbraw/zinc/78/42/93/448784293.db2.gz FVPPIMDKPXHDKT-PELKAZGASA-N 1 0 347.293 1.802 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc([N+](=O)[O-])c1 ZINC000592337354 448797698 /nfs/dbraw/zinc/79/76/98/448797698.db2.gz FWCYVVSYPBOESJ-RYUDHWBXSA-N 1 0 339.323 1.201 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000592383650 448816680 /nfs/dbraw/zinc/81/66/80/448816680.db2.gz WRUIICVACWYGHQ-UWVGGRQHSA-N 1 0 329.378 1.022 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000592392930 448820743 /nfs/dbraw/zinc/82/07/43/448820743.db2.gz KIMWNTSKHSOPSK-JQWIXIFHSA-N 1 0 327.406 1.563 20 5 EDBDRO COc1cc(CN2CCO[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000592428708 448831262 /nfs/dbraw/zinc/83/12/62/448831262.db2.gz OMMHFXCVIDKUNB-ZUZCIYMTSA-N 1 0 325.365 1.160 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000592428562 448832074 /nfs/dbraw/zinc/83/20/74/448832074.db2.gz AUGTVSYIIFWHAX-RNCFNFMXSA-N 1 0 331.319 1.744 20 5 EDBDRO COc1cc(CCNC(=O)CCC(C)(C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000592480918 448855345 /nfs/dbraw/zinc/85/53/45/448855345.db2.gz ONWIDOAHHWXRGK-UHFFFAOYSA-N 1 0 339.392 1.788 20 5 EDBDRO CC1([NH3+])CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000592485199 448856860 /nfs/dbraw/zinc/85/68/60/448856860.db2.gz RANKAGXCDWXDLR-UHFFFAOYSA-N 1 0 336.348 1.075 20 5 EDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000592487176 448858405 /nfs/dbraw/zinc/85/84/05/448858405.db2.gz QBTYEYUICCQRMM-DYVFJYSZSA-N 1 0 332.404 1.997 20 5 EDBDRO Cn1c2cc(NCC3([NH+](C)C)CCC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000588027245 448859738 /nfs/dbraw/zinc/85/97/38/448859738.db2.gz SRAMIQBWDHHAAS-UHFFFAOYSA-N 1 0 333.392 1.681 20 5 EDBDRO C[C@@H]1C[N@H+](CCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)CCCO1 ZINC000588033829 448860810 /nfs/dbraw/zinc/86/08/10/448860810.db2.gz QTLSZXZMGARDIM-GFCCVEGCSA-N 1 0 338.408 1.582 20 5 EDBDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000592568192 448904208 /nfs/dbraw/zinc/90/42/08/448904208.db2.gz JZHIJIFFSAPVEB-NSHDSACASA-N 1 0 347.371 1.771 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2cnc3n2CCCC3)c1 ZINC000574632244 448920470 /nfs/dbraw/zinc/92/04/70/448920470.db2.gz ZAKXMGYAPMYOCO-HNNXBMFYSA-N 1 0 346.387 1.657 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000588814231 448933725 /nfs/dbraw/zinc/93/37/25/448933725.db2.gz UUDXPABACQXJFG-CQSZACIVSA-N 1 0 337.424 1.811 20 5 EDBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](Cn3ccnn3)C2)cc1 ZINC000595608813 449076708 /nfs/dbraw/zinc/07/67/08/449076708.db2.gz WWEORIHUYXNNJL-CQSZACIVSA-N 1 0 331.376 1.977 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000589930221 449083864 /nfs/dbraw/zinc/08/38/64/449083864.db2.gz UXXWHJNHLDDSBB-JSGCOSHPSA-N 1 0 325.390 1.061 20 5 EDBDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593591282 449093600 /nfs/dbraw/zinc/09/36/00/449093600.db2.gz MTGLAXNBBXCSHS-NSHDSACASA-N 1 0 328.394 1.095 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599898108 449104405 /nfs/dbraw/zinc/10/44/05/449104405.db2.gz ZOZXBZVKRJJWAO-CMPLNLGQSA-N 1 0 340.767 1.443 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](CO)[C@@H]2CCCOC2)c1 ZINC000593034105 449109343 /nfs/dbraw/zinc/10/93/43/449109343.db2.gz HUUTTZHZOYMTFF-TZMCWYRMSA-N 1 0 338.360 1.259 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000599924888 449111153 /nfs/dbraw/zinc/11/11/53/449111153.db2.gz QOWWRKCRQMBDJI-AWEZNQCLSA-N 1 0 334.376 1.557 20 5 EDBDRO C[C@@H]1CC[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C[NH2+]1 ZINC000599932521 449113527 /nfs/dbraw/zinc/11/35/27/449113527.db2.gz ACENEZLXCGOOKH-NEPJUHHUSA-N 1 0 334.376 1.508 20 5 EDBDRO COC[C@@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000593062179 449118992 /nfs/dbraw/zinc/11/89/92/449118992.db2.gz BGFWDNHDBMTKIA-UONOGXRCSA-N 1 0 337.376 1.313 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)[C@@H]2C1 ZINC000590442999 449163620 /nfs/dbraw/zinc/16/36/20/449163620.db2.gz CXGIYGIYMLZSNQ-GXFFZTMASA-N 1 0 333.344 1.142 20 5 EDBDRO CCc1ccc(S(=O)(=O)NCCC2(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000593730954 449165140 /nfs/dbraw/zinc/16/51/40/449165140.db2.gz PCBOXOAFXWQEBP-UHFFFAOYSA-N 1 0 327.406 1.565 20 5 EDBDRO C[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCc2ccc(F)cc21 ZINC000593114617 449141338 /nfs/dbraw/zinc/14/13/38/449141338.db2.gz CGEMSJQAFZWHJX-LRDDRELGSA-N 1 0 348.378 1.953 20 5 EDBDRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000590399207 449146851 /nfs/dbraw/zinc/14/68/51/449146851.db2.gz JBWJYVRTEVVKDJ-DLBZAZTESA-N 1 0 347.415 1.849 20 5 EDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590402274 449148579 /nfs/dbraw/zinc/14/85/79/449148579.db2.gz BZPMUXVWRVEULK-LRDDRELGSA-N 1 0 343.387 1.945 20 5 EDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000590402732 449149976 /nfs/dbraw/zinc/14/99/76/449149976.db2.gz FDDCGNIDCYFHEI-IAQYHMDHSA-N 1 0 344.375 1.340 20 5 EDBDRO CC[NH+]1CCN(C[C@@H](C)CNc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000590574385 449197293 /nfs/dbraw/zinc/19/72/93/449197293.db2.gz IRCGXCMPBAUIFN-LBPRGKRZSA-N 1 0 341.843 1.751 20 5 EDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000590588456 449203301 /nfs/dbraw/zinc/20/33/01/449203301.db2.gz HNNYTBKYGYDMIR-JSGCOSHPSA-N 1 0 341.433 1.492 20 5 EDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000590550982 449184869 /nfs/dbraw/zinc/18/48/69/449184869.db2.gz URQCQZGPVKPKAX-OLZOCXBDSA-N 1 0 349.387 1.275 20 5 EDBDRO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000595825157 449188410 /nfs/dbraw/zinc/18/84/10/449188410.db2.gz CGSKVIVEBYEALE-CYBMUJFWSA-N 1 0 336.392 1.661 20 5 EDBDRO CN(CCCC[NH+](C)C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000611234169 449229668 /nfs/dbraw/zinc/22/96/68/449229668.db2.gz QODHMTALKRNQNL-UHFFFAOYSA-N 1 0 343.449 1.741 20 5 EDBDRO COC(=O)c1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)n1C ZINC000602006382 449272500 /nfs/dbraw/zinc/27/25/00/449272500.db2.gz KFXCQWVQVOIILG-UHFFFAOYSA-N 1 0 333.344 1.889 20 5 EDBDRO C[C@](O)(C[C@@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000601954920 449243368 /nfs/dbraw/zinc/24/33/68/449243368.db2.gz KPFGSGQFRMUEQN-MSOLQXFVSA-N 1 0 349.431 1.629 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])c1cnnn1C1CC[NH2+]CC1 ZINC000595927549 449258820 /nfs/dbraw/zinc/25/88/20/449258820.db2.gz OWYSSXHSISNFMG-UHFFFAOYSA-N 1 0 344.375 1.083 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595935502 449264362 /nfs/dbraw/zinc/26/43/62/449264362.db2.gz ULDRSMCMAWPAMQ-HNNXBMFYSA-N 1 0 349.435 1.728 20 5 EDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000590751363 449270973 /nfs/dbraw/zinc/27/09/73/449270973.db2.gz TVEYSOFZVFCQOC-YUELXQCFSA-N 1 0 338.360 1.266 20 5 EDBDRO Cc1n[nH]c(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1[N+](=O)[O-] ZINC000593918470 449286647 /nfs/dbraw/zinc/28/66/47/449286647.db2.gz DUGMHGUVFQNBLY-TUAOUCFPSA-N 1 0 337.380 1.127 20 5 EDBDRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000593920534 449288485 /nfs/dbraw/zinc/28/84/85/449288485.db2.gz KYAVEZCAZGYMSE-AAEUAGOBSA-N 1 0 327.406 1.279 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NCC2([NH3+])CCCC2)ccc1[N+](=O)[O-] ZINC000595968548 449289577 /nfs/dbraw/zinc/28/95/77/449289577.db2.gz ZMGHCCSPHQZLAS-UHFFFAOYSA-N 1 0 334.376 1.021 20 5 EDBDRO COc1cc(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000611516677 449318945 /nfs/dbraw/zinc/31/89/45/449318945.db2.gz OBWKURNEHPKMGG-MRXNPFEDSA-N 1 0 348.447 1.815 20 5 EDBDRO [NH3+]CC1(CCNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 ZINC000593913633 449281578 /nfs/dbraw/zinc/28/15/78/449281578.db2.gz BIGBGPXIPYZHOL-UHFFFAOYSA-N 1 0 348.403 1.290 20 5 EDBDRO CC[NH+]1CCN([C@H](C)CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596076960 449350550 /nfs/dbraw/zinc/35/05/50/449350550.db2.gz DVKBOUAQHQUPPI-GFCCVEGCSA-N 1 0 335.408 1.132 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000598341834 449357200 /nfs/dbraw/zinc/35/72/00/449357200.db2.gz GQFKVAAIWLVPIW-CQSZACIVSA-N 1 0 343.387 1.995 20 5 EDBDRO COC(=O)c1cc(NC(=O)N[C@]2(C)CC[NH2+]C2)c(C)c([N+](=O)[O-])c1 ZINC000596123959 449374180 /nfs/dbraw/zinc/37/41/80/449374180.db2.gz UFYAYFTYTPXODH-OAHLLOKOSA-N 1 0 336.348 1.563 20 5 EDBDRO O=c1[nH]ccc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596142123 449382626 /nfs/dbraw/zinc/38/26/26/449382626.db2.gz DLPUWMJZTLBISO-KRWDZBQOSA-N 1 0 344.371 1.744 20 5 EDBDRO C[C@@H](Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000596146087 449384582 /nfs/dbraw/zinc/38/45/82/449384582.db2.gz LDXUECDARHBREO-SNVBAGLBSA-N 1 0 344.437 1.630 20 5 EDBDRO Cc1cc(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c([N+](=O)[O-])s1 ZINC000596261188 449444129 /nfs/dbraw/zinc/44/41/29/449444129.db2.gz OGDOKQJWHOZKDA-GFCCVEGCSA-N 1 0 338.433 1.755 20 5 EDBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000598547043 449459276 /nfs/dbraw/zinc/45/92/76/449459276.db2.gz WEZSQULZDAJWIG-MRXNPFEDSA-N 1 0 335.404 1.707 20 5 EDBDRO CN(CC[NH+]1CCCCC1)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596296689 449462158 /nfs/dbraw/zinc/46/21/58/449462158.db2.gz YQWXXEIJDHQGSJ-UHFFFAOYSA-N 1 0 342.421 1.164 20 5 EDBDRO CCC(C)(C)[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000594390181 449487526 /nfs/dbraw/zinc/48/75/26/449487526.db2.gz UBEXUVGZQFYPGU-UHFFFAOYSA-N 1 0 336.392 1.089 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC[C@H]2CCCOC2)cc1 ZINC000600742488 449528435 /nfs/dbraw/zinc/52/84/35/449528435.db2.gz DFMPNPLEIRNWDQ-CYBMUJFWSA-N 1 0 342.417 1.775 20 5 EDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1ccc(-n3ccnc3)c([N+](=O)[O-])c1)C2 ZINC000598667842 449529654 /nfs/dbraw/zinc/52/96/54/449529654.db2.gz MZOXDEDNOHZGRD-SUMWQHHRSA-N 1 0 341.371 1.734 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(F)cc2F)c1 ZINC000600757603 449536268 /nfs/dbraw/zinc/53/62/68/449536268.db2.gz LRNQJCXGVYATFX-OSAQELSMSA-N 1 0 338.314 1.576 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1C ZINC000594474595 449540604 /nfs/dbraw/zinc/54/06/04/449540604.db2.gz LAKRZXBVLFDRBL-BETUJISGSA-N 1 0 341.433 1.830 20 5 EDBDRO NC(=O)c1ccnc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596479128 449521849 /nfs/dbraw/zinc/52/18/49/449521849.db2.gz KEYCMJBLJBPEMB-NSHDSACASA-N 1 0 333.392 1.908 20 5 EDBDRO CO[C@@](C)(CO)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000594510162 449559033 /nfs/dbraw/zinc/55/90/33/449559033.db2.gz HYAJXPQBFQXGFS-IAQYHMDHSA-N 1 0 325.365 1.299 20 5 EDBDRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000598720128 449562121 /nfs/dbraw/zinc/56/21/21/449562121.db2.gz MLFFPALZJJLYDA-ZANVPECISA-N 1 0 345.808 1.750 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598723522 449564081 /nfs/dbraw/zinc/56/40/81/449564081.db2.gz IYIVSUQFWXQSIU-DOMZBBRYSA-N 1 0 339.417 1.714 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598908229 449642512 /nfs/dbraw/zinc/64/25/12/449642512.db2.gz RDGRJYXJYAEGJF-ZIAGYGMSSA-N 1 0 349.391 1.315 20 5 EDBDRO O=C(NCCCC[NH+]1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000600998776 449644438 /nfs/dbraw/zinc/64/44/38/449644438.db2.gz QYIKEYGUUCQKPN-UHFFFAOYSA-N 1 0 325.340 1.576 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000594789497 449698881 /nfs/dbraw/zinc/69/88/81/449698881.db2.gz LZHMSMBKNHGCBF-ZDUSSCGKSA-N 1 0 341.433 1.887 20 5 EDBDRO C[C@H](C[S@](C)=O)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602608952 449702066 /nfs/dbraw/zinc/70/20/66/449702066.db2.gz NJLAXIUYTCIOIB-XFNZEKPQSA-N 1 0 326.422 1.315 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000594793931 449704896 /nfs/dbraw/zinc/70/48/96/449704896.db2.gz WPJOYXPAIIRIMT-LBPRGKRZSA-N 1 0 341.433 1.994 20 5 EDBDRO CN1CC[NH+](CC2CN(c3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000599106638 449738832 /nfs/dbraw/zinc/73/88/32/449738832.db2.gz IZBJVFGRSMSTOL-UHFFFAOYSA-N 1 0 325.800 1.327 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@H](C)[NH+](C)C)cc1C ZINC000594816738 449725447 /nfs/dbraw/zinc/72/54/47/449725447.db2.gz KFONHXRRBXYHKE-LBPRGKRZSA-N 1 0 329.422 1.830 20 5 EDBDRO O=[N+]([O-])c1ccc2ncnc(N3CCC([NH+]4CCOCC4)CC3)c2c1 ZINC000599104080 449735295 /nfs/dbraw/zinc/73/52/95/449735295.db2.gz LXBDLSBMXVDAHL-UHFFFAOYSA-N 1 0 343.387 1.839 20 5 EDBDRO [NH3+]C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000599105200 449736522 /nfs/dbraw/zinc/73/65/22/449736522.db2.gz WIQUVKPASVNZKK-UHFFFAOYSA-N 1 0 349.796 1.034 20 5 EDBDRO CC[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599179550 449782264 /nfs/dbraw/zinc/78/22/64/449782264.db2.gz ISTDPVREMVAKDY-WDEREUQCSA-N 1 0 327.406 1.575 20 5 EDBDRO CC1([NH+]2CCOCC2)CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000599161452 449771311 /nfs/dbraw/zinc/77/13/11/449771311.db2.gz XIJIVFFPMMRMNR-UHFFFAOYSA-N 1 0 346.391 1.329 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](CC2CCOCC2)CC1 ZINC000602782319 449805215 /nfs/dbraw/zinc/80/52/15/449805215.db2.gz PKFJLTBQJTVDQJ-UHFFFAOYSA-N 1 0 337.424 1.144 20 5 EDBDRO COC[C@H](C)Oc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000594930015 449811890 /nfs/dbraw/zinc/81/18/90/449811890.db2.gz AFUJXURFDSDNHQ-ZDUSSCGKSA-N 1 0 334.376 1.995 20 5 EDBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597098586 449812826 /nfs/dbraw/zinc/81/28/26/449812826.db2.gz UXRKBCDFGCRLCZ-CYBMUJFWSA-N 1 0 343.771 1.019 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595071230 449854377 /nfs/dbraw/zinc/85/43/77/449854377.db2.gz BNFSVAUXMYGCNG-CYBMUJFWSA-N 1 0 334.376 1.522 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+][C@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000595109033 449872909 /nfs/dbraw/zinc/87/29/09/449872909.db2.gz XBBNZCKLTVISRF-NEPJUHHUSA-N 1 0 327.406 1.630 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000595108739 449872962 /nfs/dbraw/zinc/87/29/62/449872962.db2.gz QPQGOSDCZNJUQA-OLZOCXBDSA-N 1 0 339.417 1.584 20 5 EDBDRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1F ZINC000595122370 449883951 /nfs/dbraw/zinc/88/39/51/449883951.db2.gz XKJTWXCOFKYTLQ-RKDXNWHRSA-N 1 0 337.760 1.308 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601371409 449886035 /nfs/dbraw/zinc/88/60/35/449886035.db2.gz LJRYNMASVMTZAP-JTQLQIEISA-N 1 0 333.435 1.679 20 5 EDBDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041056 449847210 /nfs/dbraw/zinc/84/72/10/449847210.db2.gz JXQOJCWQFSRVOD-GHMZBOCLSA-N 1 0 345.421 1.582 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000601341878 449851452 /nfs/dbraw/zinc/85/14/52/449851452.db2.gz LRBXZKFAHWJPJY-CMPLNLGQSA-N 1 0 343.380 1.415 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)c(F)cc1[N+](=O)[O-] ZINC000601343120 449852333 /nfs/dbraw/zinc/85/23/33/449852333.db2.gz JFQJVAOYRUGYKC-AWEZNQCLSA-N 1 0 343.380 1.416 20 5 EDBDRO COc1ccc(OCC[N@H+]2C[C@H](OC)C[C@@]2(C)CO)c([N+](=O)[O-])c1 ZINC000602964005 449965995 /nfs/dbraw/zinc/96/59/95/449965995.db2.gz LTIZFPBXMGJDDU-CJNGLKHVSA-N 1 0 340.376 1.454 20 5 EDBDRO [NH3+]C1(CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCC1 ZINC000595273780 449992692 /nfs/dbraw/zinc/99/26/92/449992692.db2.gz IWWCFLPTYKHBBN-UHFFFAOYSA-N 1 0 332.364 1.542 20 5 EDBDRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000613078096 450011319 /nfs/dbraw/zinc/01/13/19/450011319.db2.gz DRKIOGYZTVNJHO-IYBDPMFKSA-N 1 0 346.431 1.883 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC000615297139 450052289 /nfs/dbraw/zinc/05/22/89/450052289.db2.gz SAPPBXZTINAMGM-VXGBXAGGSA-N 1 0 343.405 1.364 20 5 EDBDRO CNc1c(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000613234740 450094802 /nfs/dbraw/zinc/09/48/02/450094802.db2.gz CAAWSZLZHDSMHD-ZDUSSCGKSA-N 1 0 348.403 1.620 20 5 EDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)n1cc(CCN2CC[NH2+]CC2)nn1 ZINC000603185021 450124243 /nfs/dbraw/zinc/12/42/43/450124243.db2.gz DECBGNVQOKRGMU-ZDUSSCGKSA-N 1 0 330.392 1.243 20 5 EDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](CCCF)CC1 ZINC000599672830 450144756 /nfs/dbraw/zinc/14/47/56/450144756.db2.gz VZNXHAKEZSEGNG-ZDUSSCGKSA-N 1 0 338.383 1.899 20 5 EDBDRO CC1CC[NH+](CCCNS(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000610260384 450172421 /nfs/dbraw/zinc/17/24/21/450172421.db2.gz XVUKYZBQYYMGIK-UHFFFAOYSA-N 1 0 342.421 1.390 20 5 EDBDRO CNc1nccc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000597662824 450178261 /nfs/dbraw/zinc/17/82/61/450178261.db2.gz AFXHEXZLBNRRAU-UHFFFAOYSA-N 1 0 333.392 1.589 20 5 EDBDRO O=C(C[N@H+](C1CC1)C1(CO)CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595533489 450212777 /nfs/dbraw/zinc/21/27/77/450212777.db2.gz KJEGIHLVHWWSFX-UHFFFAOYSA-N 1 0 345.399 1.863 20 5 EDBDRO CN(C(=O)CN1CCC[C@]2(CC[N@H+](C)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595505014 450192239 /nfs/dbraw/zinc/19/22/39/450192239.db2.gz PHQKHEQRIYGHPO-GOSISDBHSA-N 1 0 346.431 1.975 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCc3ncnn3C2)n1 ZINC000618571753 450249275 /nfs/dbraw/zinc/24/92/75/450249275.db2.gz WHMJJULUGMEVCS-FRRDWIJNSA-N 1 0 331.380 1.471 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000610655861 450286779 /nfs/dbraw/zinc/28/67/79/450286779.db2.gz VJPOLLDCRVIFQG-UHFFFAOYSA-N 1 0 329.404 1.918 20 5 EDBDRO CCc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000619873328 450349500 /nfs/dbraw/zinc/34/95/00/450349500.db2.gz DPEREWFBPHHTKL-HNNXBMFYSA-N 1 0 332.404 1.277 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000610922319 450380582 /nfs/dbraw/zinc/38/05/82/450380582.db2.gz NZACRZLCHMEVFQ-LLVKDONJSA-N 1 0 339.396 1.282 20 5 EDBDRO COc1ccc(-c2ccc(C[NH2+]C[C@](C)(O)CO)o2)c([N+](=O)[O-])c1 ZINC000619464271 450481778 /nfs/dbraw/zinc/48/17/78/450481778.db2.gz JXPVBPVWWIANOA-INIZCTEOSA-N 1 0 336.344 1.696 20 5 EDBDRO O=C(C[NH2+][C@H]1CCO[C@@H]1C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000372797876 486883028 /nfs/dbraw/zinc/88/30/28/486883028.db2.gz DUSJKOZFDXJDNC-MGPLVRAMSA-N 1 0 349.343 1.419 20 5 EDBDRO COc1cc(CCNC(=O)[C@@H]([NH3+])CC(C)C)c([N+](=O)[O-])cc1OC ZINC000178349139 533764657 /nfs/dbraw/zinc/76/46/57/533764657.db2.gz YPMVIOVPAOGZQF-LBPRGKRZSA-N 1 0 339.392 1.644 20 5 EDBDRO C[C@@H](O)[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000130116777 533842839 /nfs/dbraw/zinc/84/28/39/533842839.db2.gz DMLZCKONRCRRPZ-MNOVXSKESA-N 1 0 325.340 1.765 20 5 EDBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000184381187 533906619 /nfs/dbraw/zinc/90/66/19/533906619.db2.gz JFSQRJUKVOEBBL-OAHLLOKOSA-N 1 0 348.447 1.670 20 5 EDBDRO CSc1ccc(C(=O)NC[C@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000153019333 534185106 /nfs/dbraw/zinc/18/51/06/534185106.db2.gz APJQXKPBGCGGGE-AWEZNQCLSA-N 1 0 327.406 1.359 20 5 EDBDRO [NH3+]C1CCC(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000131871268 534558533 /nfs/dbraw/zinc/55/85/33/534558533.db2.gz ASQGRFMXNJCECH-UHFFFAOYSA-N 1 0 330.344 1.436 20 5 EDBDRO [NH3+]CCCOC1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000178203858 534617882 /nfs/dbraw/zinc/61/78/82/534617882.db2.gz ODFVHSWHNPOEIK-UHFFFAOYSA-N 1 0 325.340 1.704 20 5 EDBDRO O=[N+]([O-])c1cccc(OCCN2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000178474921 534886665 /nfs/dbraw/zinc/88/66/65/534886665.db2.gz NJBZQHPFBVZCPH-OAHLLOKOSA-N 1 0 335.404 1.628 20 5 EDBDRO CC(=O)NC[C@@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000181505260 526783021 /nfs/dbraw/zinc/78/30/21/526783021.db2.gz RUXKXJCLYPCFOK-CQSZACIVSA-N 1 0 344.371 1.793 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000173733166 527825640 /nfs/dbraw/zinc/82/56/40/527825640.db2.gz VITSWSZGRWEZHT-CYBMUJFWSA-N 1 0 348.403 1.642 20 5 EDBDRO CC[N@H+](C)[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000129974383 527858824 /nfs/dbraw/zinc/85/88/24/527858824.db2.gz SYBPPFLUOZJZDY-OAHLLOKOSA-N 1 0 331.376 1.601 20 5 EDBDRO CCC[NH2+]CCNC(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-] ZINC000236820913 535171993 /nfs/dbraw/zinc/17/19/93/535171993.db2.gz UFCDNLAEUWLZJT-UHFFFAOYSA-N 1 0 325.365 1.732 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCC[NH+](C)C ZINC000346121558 535809337 /nfs/dbraw/zinc/80/93/37/535809337.db2.gz WLFMUWIGONZNGL-GFCCVEGCSA-N 1 0 340.428 1.285 20 5 EDBDRO CNS(=O)(=O)c1ccc(N[C@H]2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000261625375 536320547 /nfs/dbraw/zinc/32/05/47/536320547.db2.gz BISGETWYTAFYMR-PWSUYJOCSA-N 1 0 342.421 1.432 20 5 EDBDRO C[NH2+][C@@H]1CCCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000339902694 536361223 /nfs/dbraw/zinc/36/12/23/536361223.db2.gz XYYLNRNMCXPQLP-GFCCVEGCSA-N 1 0 334.376 1.577 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000345874591 536363962 /nfs/dbraw/zinc/36/39/62/536363962.db2.gz LVASULJVLATMMJ-HONMWMINSA-N 1 0 334.376 1.426 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CSC[C@H]2C)cc1[N+](=O)[O-] ZINC000353030705 536477175 /nfs/dbraw/zinc/47/71/75/536477175.db2.gz AXKBRVJCTZKZOO-PWSUYJOCSA-N 1 0 340.401 1.988 20 5 EDBDRO CN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732167052 578695521 /nfs/dbraw/zinc/69/55/21/578695521.db2.gz VLMCVTIXWYTLEC-CQSZACIVSA-N 1 0 347.371 1.481 20 5 EDBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000733299869 578758604 /nfs/dbraw/zinc/75/86/04/578758604.db2.gz KKXXZPAGNPTHBM-NSHDSACASA-N 1 0 342.421 1.209 20 5 EDBDRO CNC(=O)C1([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000734000334 578793382 /nfs/dbraw/zinc/79/33/82/578793382.db2.gz UZRFKVVOLSAWRI-UHFFFAOYSA-N 1 0 346.387 1.132 20 5 EDBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736400660 578985683 /nfs/dbraw/zinc/98/56/83/578985683.db2.gz QLZIUGXWNYRICQ-LLVKDONJSA-N 1 0 346.395 1.846 20 5 EDBDRO Cc1nn(CCC(=O)O[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000788114209 579213956 /nfs/dbraw/zinc/21/39/56/579213956.db2.gz DNNCIDKQVHRZFC-KGLIPLIRSA-N 1 0 336.392 1.968 20 5 EDBDRO O=[N+]([O-])c1c(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)nc2ccccn21 ZINC000748272230 579677906 /nfs/dbraw/zinc/67/79/06/579677906.db2.gz LUAWWHHKQIDHKR-AWEZNQCLSA-N 1 0 345.403 1.934 20 5 EDBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000755623548 579931105 /nfs/dbraw/zinc/93/11/05/579931105.db2.gz QGHLEZNUMCOQRI-OWBHPGMISA-N 1 0 347.415 1.913 20 5 EDBDRO C[C@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000778264754 580460278 /nfs/dbraw/zinc/46/02/78/580460278.db2.gz RXNJRQIHVFOYLE-SECBINFHSA-N 1 0 335.389 1.814 20 5 EDBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000771393423 580285695 /nfs/dbraw/zinc/28/56/95/580285695.db2.gz CTNNUTZDPVSGBJ-VXGBXAGGSA-N 1 0 335.360 1.337 20 5 EDBDRO C[C@H]([NH2+][C@@H](CO)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000771812961 580295192 /nfs/dbraw/zinc/29/51/92/580295192.db2.gz MAYRWPOKFNESDE-SDBXPKJASA-N 1 0 327.768 1.936 20 5 EDBDRO O=C([C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000776581683 580422075 /nfs/dbraw/zinc/42/20/75/580422075.db2.gz HINRAVDKMJONJQ-DOTOQJQBSA-N 1 0 347.415 1.963 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000776587429 580422610 /nfs/dbraw/zinc/42/26/10/580422610.db2.gz GHEXKXSWOXDTLJ-QZTJIDSGSA-N 1 0 349.431 1.815 20 5 EDBDRO O=C(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NCC1CC1 ZINC000779177555 580480623 /nfs/dbraw/zinc/48/06/23/580480623.db2.gz KGNXTVQZWWFXRX-UHFFFAOYSA-N 1 0 332.404 1.679 20 5 EDBDRO COCCN(Cn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCOC1 ZINC000782964407 580589446 /nfs/dbraw/zinc/58/94/46/580589446.db2.gz VDRIMQGGXCHPQO-GFCCVEGCSA-N 1 0 337.332 1.198 20 5 EDBDRO C[C@@]1(C(N)=O)CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000794706018 580903838 /nfs/dbraw/zinc/90/38/38/580903838.db2.gz SWPFDQPLWACMOK-OAHLLOKOSA-N 1 0 330.348 1.008 20 5 EDBDRO CC1(C)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000796559860 580956411 /nfs/dbraw/zinc/95/64/11/580956411.db2.gz DRGYBCPEIDFYEI-DOTOQJQBSA-N 1 0 336.388 1.898 20 5 EDBDRO CN(CCC[NH+]1CCCC1)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000804683022 590737844 /nfs/dbraw/zinc/73/78/44/590737844.db2.gz GUZONSZUBUPKAT-UHFFFAOYSA-N 1 0 347.419 1.707 20 5 EDBDRO COc1c(O)ccc(C[NH2+]CCN2CCC(OC)CC2)c1[N+](=O)[O-] ZINC000893362095 590805003 /nfs/dbraw/zinc/80/50/03/590805003.db2.gz UGFYFRQPKDWFFM-UHFFFAOYSA-N 1 0 339.392 1.509 20 5 EDBDRO COc1c(O)ccc(C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)c1[N+](=O)[O-] ZINC000892240793 590881613 /nfs/dbraw/zinc/88/16/13/590881613.db2.gz HNYSROVKRFOPDJ-LBPRGKRZSA-N 1 0 337.376 1.609 20 5 EDBDRO Cc1nn(CCC(=O)N[C@@]2(C)C[NH+]3CCC2CC3)c(C)c1[N+](=O)[O-] ZINC000892783514 591175051 /nfs/dbraw/zinc/17/50/51/591175051.db2.gz BUGROZUVDBEUDI-INIZCTEOSA-N 1 0 335.408 1.399 20 5 EDBDRO COc1c(O)ccc(C[NH2+]CC2(N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000894045269 591177267 /nfs/dbraw/zinc/17/72/67/591177267.db2.gz GFKUCCKNBTYICS-UHFFFAOYSA-N 1 0 337.376 1.263 20 5 EDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC000895769699 591269642 /nfs/dbraw/zinc/26/96/42/591269642.db2.gz BPCFJUGFPPBRQY-CZUORRHYSA-N 1 0 347.415 1.801 20 5 EDBDRO CNC(=O)c1ccc(N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000894796835 591420010 /nfs/dbraw/zinc/42/00/10/591420010.db2.gz FHDCVKLSONEMTA-CALCHBBNSA-N 1 0 332.404 1.732 20 5 EDBDRO CNC(=O)c1ccc(N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000894796836 591420125 /nfs/dbraw/zinc/42/01/25/591420125.db2.gz FHDCVKLSONEMTA-IAGOWNOFSA-N 1 0 332.404 1.732 20 5 EDBDRO Cc1ccc(CN2CCO[C@H](CNc3c([N+](=O)[O-])cnn3C)C2)cc1 ZINC000895017565 591524556 /nfs/dbraw/zinc/52/45/56/591524556.db2.gz FAZNMQWRGZMFRI-OAHLLOKOSA-N 1 0 345.403 1.950 20 5 EDBDRO Cn1c2ccccc2c(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1=O ZINC000895021585 591527258 /nfs/dbraw/zinc/52/72/58/591527258.db2.gz HJBRZWNWDAOBGA-TZMCWYRMSA-N 1 0 342.399 1.977 20 5 EDBDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000896615247 591553285 /nfs/dbraw/zinc/55/32/85/591553285.db2.gz AJGXGWNPURTPFI-LBPRGKRZSA-N 1 0 334.376 1.936 20 5 EDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000895114835 591596219 /nfs/dbraw/zinc/59/62/19/591596219.db2.gz NGSBFHXOYYRYOO-NSHDSACASA-N 1 0 340.811 1.800 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cn1 ZINC000026490152 591612776 /nfs/dbraw/zinc/61/27/76/591612776.db2.gz DRPJNLXGTZGEMZ-MRXNPFEDSA-N 1 0 328.372 1.845 20 5 EDBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000897219019 591773151 /nfs/dbraw/zinc/77/31/51/591773151.db2.gz ICHXCRBPCSJDEL-JKSUJKDBSA-N 1 0 333.388 1.833 20 5 EDBDRO C[C@@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000900380481 592002019 /nfs/dbraw/zinc/00/20/19/592002019.db2.gz MGWIMIAWSZATQG-ZBFHGGJFSA-N 1 0 348.447 1.848 20 5 EDBDRO C[C@@H]([NH2+]C[C@@]1(CO)COCCN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903276740 592149600 /nfs/dbraw/zinc/14/96/00/592149600.db2.gz BOWIFOAKKSBEQA-IAQYHMDHSA-N 1 0 327.356 1.078 20 5 EDBDRO CO[C@]1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000903363044 592158868 /nfs/dbraw/zinc/15/88/68/592158868.db2.gz LSJCWMQZUKCLOR-HIFRSBDPSA-N 1 0 340.401 1.375 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000903596811 592238913 /nfs/dbraw/zinc/23/89/13/592238913.db2.gz TVIHRJAVGZWEDH-CQSZACIVSA-N 1 0 325.390 1.420 20 5 EDBDRO O=[N+]([O-])c1cccc(OCCN2CC[NH2+]CCC23CCOCC3)c1 ZINC000903815695 592323766 /nfs/dbraw/zinc/32/37/66/592323766.db2.gz PTRPCBGENJOFEL-UHFFFAOYSA-N 1 0 335.404 1.818 20 5 EDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@]1(O)CCC[N@@H+](C)C1)CC2 ZINC000901316511 592338197 /nfs/dbraw/zinc/33/81/97/592338197.db2.gz DFDJPDCOGYKBKP-QGZVFWFLSA-N 1 0 333.388 1.639 20 5 EDBDRO COC[C@@H]1C[NH2+]CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000903876575 592356350 /nfs/dbraw/zinc/35/63/50/592356350.db2.gz YYIOUMGSIHZQDX-NSHDSACASA-N 1 0 342.783 1.107 20 5 EDBDRO [NH3+][C@H](CC(F)F)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000903908163 592373948 /nfs/dbraw/zinc/37/39/48/592373948.db2.gz FBMXQVLAQMYFNL-GFCCVEGCSA-N 1 0 342.346 1.335 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc4c(c3[N+](=O)[O-])OCCCO4)[C@H]2C1 ZINC000908346733 592454662 /nfs/dbraw/zinc/45/46/62/592454662.db2.gz HTYUNCMBMSSOML-YPMHNXCESA-N 1 0 347.371 1.532 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906521369 592840237 /nfs/dbraw/zinc/84/02/37/592840237.db2.gz YYOQNQNTPPAJCS-UHFFFAOYSA-N 1 0 343.811 1.875 20 5 EDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)C1 ZINC000911735353 592992982 /nfs/dbraw/zinc/99/29/82/592992982.db2.gz KJJWUWNRQTUHCB-OAHLLOKOSA-N 1 0 343.387 1.664 20 5 EDBDRO C[NH+]1CCC(N(CCO)C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000911933579 593038596 /nfs/dbraw/zinc/03/85/96/593038596.db2.gz LQOUWZVBRXXGRU-DAXSKMNVSA-N 1 0 333.388 1.523 20 5 EDBDRO CC(=O)NCC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000805821973 593148534 /nfs/dbraw/zinc/14/85/34/593148534.db2.gz HINDTUOYSFXABY-YOEHRIQHSA-N 1 0 335.404 1.866 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCC2(CC1)OCCCO2 ZINC000840088857 593161365 /nfs/dbraw/zinc/16/13/65/593161365.db2.gz XAZOTWVWBVOQMR-UHFFFAOYSA-N 1 0 349.343 1.689 20 5 EDBDRO O=C(CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000838895989 593235723 /nfs/dbraw/zinc/23/57/23/593235723.db2.gz VHQDJESURWWZFO-ZDUSSCGKSA-N 1 0 333.392 1.489 20 5 EDBDRO O=[N+]([O-])c1cccc(CN2CC[C@@H](CO)[C@H](O)C2)c1Br ZINC000839579021 593342898 /nfs/dbraw/zinc/34/28/98/593342898.db2.gz RPWOGVQTZUEFOW-CMPLNLGQSA-N 1 0 345.193 1.532 20 5 EDBDRO CCN1CCO[C@@H](C(=O)OCCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000805473844 593457014 /nfs/dbraw/zinc/45/70/14/593457014.db2.gz ITFZUMDSAZFMNX-OAHLLOKOSA-N 1 0 338.360 1.628 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1F ZINC000813740890 593552569 /nfs/dbraw/zinc/55/25/69/593552569.db2.gz KLPGEEYHFQDKNO-GWCFXTLKSA-N 1 0 343.380 1.367 20 5 EDBDRO C[C@@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[NH+](C)C ZINC000814138337 593575553 /nfs/dbraw/zinc/57/55/53/593575553.db2.gz QRFQLMCUKWUKMM-NSHDSACASA-N 1 0 338.364 1.750 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)NC(C)(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000817859559 593641859 /nfs/dbraw/zinc/64/18/59/593641859.db2.gz HPGXBRVPFXZFLI-UHFFFAOYSA-N 1 0 335.813 1.962 20 5 EDBDRO C[C@H]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H]1C[NH3+] ZINC000818518738 593702132 /nfs/dbraw/zinc/70/21/32/593702132.db2.gz OQVGOPWFIZADCK-XHDPSFHLSA-N 1 0 331.376 1.530 20 5 EDBDRO Cc1c(C(=O)NC2(C)CC[NH2+]CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818583748 593705735 /nfs/dbraw/zinc/70/57/35/593705735.db2.gz SPPAMRYKWSKLSP-UHFFFAOYSA-N 1 0 336.348 1.992 20 5 EDBDRO C[C@H]1C[N@H+](CCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000819264907 593747685 /nfs/dbraw/zinc/74/76/85/593747685.db2.gz IFUVQBGEJDFYDM-YOEHRIQHSA-N 1 0 337.420 1.719 20 5 EDBDRO Cn1c(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC000820071103 593788481 /nfs/dbraw/zinc/78/84/81/593788481.db2.gz VKZZCLXUYIZWMQ-HALDLXJZSA-N 1 0 340.383 1.794 20 5 EDBDRO CC(C)[NH+](CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)C(C)C ZINC000820117090 593792603 /nfs/dbraw/zinc/79/26/03/593792603.db2.gz UPMMZAHZGGDAAH-UHFFFAOYSA-N 1 0 334.384 1.701 20 5 EDBDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000822998711 594134141 /nfs/dbraw/zinc/13/41/41/594134141.db2.gz UOWZMHSGEWJSKZ-ULQDDVLXSA-N 1 0 347.415 1.661 20 5 EDBDRO O=[N+]([O-])c1cc(N2CC[C@H]([NH+]3CCCC3)C2)ccc1-c1nn[nH]n1 ZINC000823634698 594223247 /nfs/dbraw/zinc/22/32/47/594223247.db2.gz KCVHVEDTIMZWJO-LBPRGKRZSA-N 1 0 329.364 1.449 20 5 EDBDRO C[C@@H]1[C@H](C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1C ZINC000825726739 594232505 /nfs/dbraw/zinc/23/25/05/594232505.db2.gz ACLBPFRSNHAVCE-BXKDBHETSA-N 1 0 330.348 1.659 20 5 EDBDRO Cc1cc(Cl)c(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000828505371 594438981 /nfs/dbraw/zinc/43/89/81/594438981.db2.gz OXBRRZSRLBTXEG-AWEZNQCLSA-N 1 0 327.768 1.353 20 5 EDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C[NH+](C)C)OCC ZINC000831723443 594696312 /nfs/dbraw/zinc/69/63/12/594696312.db2.gz GWCINJVHEQSLEA-GFCCVEGCSA-N 1 0 339.392 1.690 20 5 EDBDRO Cc1cc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000831727174 594696738 /nfs/dbraw/zinc/69/67/38/594696738.db2.gz KBAPYZYBWKWBFT-QWHCGFSZSA-N 1 0 332.404 1.947 20 5 EDBDRO CCO[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C[NH+](C)C ZINC000831743564 594698307 /nfs/dbraw/zinc/69/83/07/594698307.db2.gz JROLVNOPMDOZES-ZDUSSCGKSA-N 1 0 329.784 1.945 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2CCC3(C2)OCCO3)cccc1[N+](=O)[O-] ZINC000104083098 594835242 /nfs/dbraw/zinc/83/52/42/594835242.db2.gz RZUKFIJEOWBFSM-UHFFFAOYSA-N 1 0 335.360 1.681 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000841234342 594873787 /nfs/dbraw/zinc/87/37/87/594873787.db2.gz NXKLRQOQFJVIIS-OAHLLOKOSA-N 1 0 338.339 1.178 20 5 EDBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000841297643 594882370 /nfs/dbraw/zinc/88/23/70/594882370.db2.gz OVJGYCAKMJYKDT-JTQLQIEISA-N 1 0 340.767 1.445 20 5 EDBDRO CCOc1cc(OS(=O)(=O)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000867183679 594983443 /nfs/dbraw/zinc/98/34/43/594983443.db2.gz JGPKRYONFIMVOG-UHFFFAOYSA-N 1 0 332.378 1.654 20 5 EDBDRO O=C(CO[C@@H]1CCC[NH2+]C1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000843449434 595115302 /nfs/dbraw/zinc/11/53/02/595115302.db2.gz NEWLLBZARJCJSI-GFCCVEGCSA-N 1 0 327.768 1.633 20 5 EDBDRO C/C(=C\C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000834565277 595163707 /nfs/dbraw/zinc/16/37/07/595163707.db2.gz SOOJUPLKFLWGTP-GPZRYRNASA-N 1 0 347.415 1.913 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1F ZINC000834656871 595184905 /nfs/dbraw/zinc/18/49/05/595184905.db2.gz PLFMROAGKXJXPA-AOOOYVTPSA-N 1 0 325.315 1.815 20 5 EDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000843800026 595189867 /nfs/dbraw/zinc/18/98/67/595189867.db2.gz NATHFVDXPVIXNE-UHFFFAOYSA-N 1 0 339.367 1.883 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000844339334 595328445 /nfs/dbraw/zinc/32/84/45/595328445.db2.gz ZCZZFGCEYAFWDA-KRWDZBQOSA-N 1 0 349.431 1.455 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(Cn3cnnc3)CC2)cc1 ZINC000844412373 595340118 /nfs/dbraw/zinc/34/01/18/595340118.db2.gz TYUPOVZNYVLLEX-MRXNPFEDSA-N 1 0 331.376 1.632 20 5 EDBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H](C)[NH+](C)C ZINC000849428865 595524990 /nfs/dbraw/zinc/52/49/90/595524990.db2.gz FJKJWLNMTLVPCE-SNVBAGLBSA-N 1 0 333.385 1.661 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000857767796 595601745 /nfs/dbraw/zinc/60/17/45/595601745.db2.gz HTMBZJBFWNUITP-NXEZZACHSA-N 1 0 329.303 1.762 20 5 EDBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000853232221 595714672 /nfs/dbraw/zinc/71/46/72/595714672.db2.gz WIXHOUDOKVQRLU-LLVKDONJSA-N 1 0 336.348 1.952 20 5 EDBDRO O=[N+]([O-])c1cn(CN2CC[NH+](C3CC3)CC2)nc1-c1ccccn1 ZINC000853493939 595767811 /nfs/dbraw/zinc/76/78/11/595767811.db2.gz VHJGQKMRJWUNLN-UHFFFAOYSA-N 1 0 328.376 1.591 20 5 EDBDRO O=[N+]([O-])c1cn(CN2CC[NH+](C3CCC3)CC2)nc1-c1ccccn1 ZINC000853494711 595767967 /nfs/dbraw/zinc/76/79/67/595767967.db2.gz FNNVBFHBQXXNND-UHFFFAOYSA-N 1 0 342.403 1.981 20 5 EDBDRO Cc1cn(CN(C)CC2C[NH+](C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000853554188 595798689 /nfs/dbraw/zinc/79/86/89/595798689.db2.gz YZUIXAHIQSYZHH-UHFFFAOYSA-N 1 0 345.403 1.307 20 5 EDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858556039 595827212 /nfs/dbraw/zinc/82/72/12/595827212.db2.gz UXNKFLHVDWJKFF-UHFFFAOYSA-N 1 0 342.355 1.445 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000858632647 595851115 /nfs/dbraw/zinc/85/11/15/595851115.db2.gz PMONBSUXFMEPJU-ZJUUUORDSA-N 1 0 347.824 1.975 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000851821439 595935715 /nfs/dbraw/zinc/93/57/15/595935715.db2.gz RPRDOCQVRPJIBU-LLVKDONJSA-N 1 0 343.405 1.366 20 5 EDBDRO COc1cccc(C(=O)OC[C@@]2(C)C[C@@H](OC)C[N@@H+]2C)c1[N+](=O)[O-] ZINC000861354219 595960254 /nfs/dbraw/zinc/96/02/54/595960254.db2.gz XZXUUFNCTDSZBI-BDJLRTHQSA-N 1 0 338.360 1.869 20 5 EDBDRO O=C1CCC2=C(CC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)N1 ZINC000852298047 596115406 /nfs/dbraw/zinc/11/54/06/596115406.db2.gz UJCLRBQNVAXNQF-CYBMUJFWSA-N 1 0 347.371 1.204 20 5 EDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)Cn1ncc3ccc([N+](=O)[O-])cc31)C2 ZINC000857009348 596138141 /nfs/dbraw/zinc/13/81/41/596138141.db2.gz ZSIHTRFCIWESSK-BLLLJJGKSA-N 1 0 329.360 1.284 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc([N+](=O)[O-])c1F ZINC000857235129 596194347 /nfs/dbraw/zinc/19/43/47/596194347.db2.gz OQYFWBZJNVNRPB-QMTHXVAHSA-N 1 0 343.380 1.544 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@](C)(N)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000870907050 596398990 /nfs/dbraw/zinc/39/89/90/596398990.db2.gz PTENXPVMBNDJIQ-RPVQJOFSSA-N 1 0 346.431 1.711 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000871357944 596542461 /nfs/dbraw/zinc/54/24/61/596542461.db2.gz WQMNZHBPLGFHEC-UHFFFAOYSA-N 1 0 337.424 1.869 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000867808691 596561312 /nfs/dbraw/zinc/56/13/12/596561312.db2.gz OCCBJTSKTMBVLR-RYUDHWBXSA-N 1 0 325.390 1.310 20 5 EDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000869780693 596632121 /nfs/dbraw/zinc/63/21/21/596632121.db2.gz PBRDPDBCCLBABG-AWEZNQCLSA-N 1 0 349.431 1.834 20 5 EDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000869785944 596637145 /nfs/dbraw/zinc/63/71/45/596637145.db2.gz LOXFUDDQGNPENX-JTQLQIEISA-N 1 0 341.795 1.823 20 5 EDBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccnn1C ZINC000871926462 596744459 /nfs/dbraw/zinc/74/44/59/596744459.db2.gz IIPAPOCJJNUWJU-RISCZKNCSA-N 1 0 329.360 1.784 20 5 EDBDRO O=C1OC[C@]2(C[NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)COCCN12 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CREDTJVSXDRRSH-HNNXBMFYSA-N 1 0 341.367 1.804 20 5 EDBDRO C[C@H]1CN(CCC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCCO1 ZINC000877478045 597522686 /nfs/dbraw/zinc/52/26/86/597522686.db2.gz KTXITSIOJAGMLR-NFOMZHRRSA-N 1 0 337.424 1.585 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000877743023 597552269 /nfs/dbraw/zinc/55/22/69/597552269.db2.gz SVSPZZZOGOBWOY-HIFRSBDPSA-N 1 0 333.388 1.907 20 5 EDBDRO C[NH+]1CCC(NC(=O)CN2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000878302922 597593851 /nfs/dbraw/zinc/59/38/51/597593851.db2.gz BAVOASKMEJPXIB-UHFFFAOYSA-N 1 0 332.404 1.163 20 5 EDBDRO COc1cccc([C@H]2CN(CCn3c(C)ncc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC000879522737 597616278 /nfs/dbraw/zinc/61/62/78/597616278.db2.gz LKFWIOUKFCAVID-MRXNPFEDSA-N 1 0 345.403 1.755 20 5 EDBDRO CC1(C)C[C@@H](O)CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000879620635 597660952 /nfs/dbraw/zinc/66/09/52/597660952.db2.gz INLBYXXYNDUZEO-CQSZACIVSA-N 1 0 333.388 1.577 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NC1CC[NH+](C)CC1 ZINC000881759879 597710267 /nfs/dbraw/zinc/71/02/67/597710267.db2.gz UZGUHDPQTDWKJS-UHFFFAOYSA-N 1 0 347.824 1.929 20 5 EDBDRO Cc1cncc([C@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000879750796 597710647 /nfs/dbraw/zinc/71/06/47/597710647.db2.gz WDTGKRALGZVUPA-HZPDHXFCSA-N 1 0 331.376 1.693 20 5 EDBDRO O=Cc1ccc([N+](=O)[O-])c(OCC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000129634456 597954023 /nfs/dbraw/zinc/95/40/23/597954023.db2.gz YSDCMBOKJRQZMV-UHFFFAOYSA-N 1 0 347.371 1.529 20 5 EDBDRO CNc1nccc(C(=O)N2CCC(C)([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC000882509952 597981594 /nfs/dbraw/zinc/98/15/94/597981594.db2.gz HWWJLXYOFBBCCK-UHFFFAOYSA-N 1 0 333.392 1.732 20 5 EDBDRO CC(C)[C@H]1C[N@H+](C)CCN1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000153621168 695924314 /nfs/dbraw/zinc/92/43/14/695924314.db2.gz VBOLXZVBJIXYCF-CQSZACIVSA-N 1 0 346.387 1.420 20 5 EDBDRO Cc1[nH]c(C)c(Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)[nH+]1 ZINC000917228534 696976884 /nfs/dbraw/zinc/97/68/84/696976884.db2.gz WOFMUFUZHOMRPU-UHFFFAOYSA-N 1 0 327.138 1.907 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000918581335 697184103 /nfs/dbraw/zinc/18/41/03/697184103.db2.gz NFOHPDUPBAGQOL-GJZGRUSLSA-N 1 0 343.387 1.688 20 5 EDBDRO C[C@H](CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[NH+]1CCCC1 ZINC000920444974 697430914 /nfs/dbraw/zinc/43/09/14/697430914.db2.gz LPODQJJDRJYUKQ-GFCCVEGCSA-N 1 0 331.376 1.545 20 5 EDBDRO Cn1ncc(C(=O)N2CCC([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000997090052 703328051 /nfs/dbraw/zinc/32/80/51/703328051.db2.gz UTWRVIPBWNGUSE-UHFFFAOYSA-N 1 0 344.375 1.118 20 5 EDBDRO CO[C@@]1(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCS(=O)(=O)C1 ZINC000922614094 704136484 /nfs/dbraw/zinc/13/64/84/704136484.db2.gz DFYJXBQWBMCWHR-CQSZACIVSA-N 1 0 328.390 1.197 20 5 EDBDRO Cc1nc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)co1 ZINC000946589236 704157372 /nfs/dbraw/zinc/15/73/72/704157372.db2.gz NAUKKAPCPSKINW-OCVGTWLNSA-N 1 0 348.403 1.319 20 5 EDBDRO Cc1cccc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000997767533 704670992 /nfs/dbraw/zinc/67/09/92/704670992.db2.gz HBJVDCZTDABJME-IAGOWNOFSA-N 1 0 331.416 1.988 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2cncc(F)c2)CC1 ZINC000997771454 704672899 /nfs/dbraw/zinc/67/28/99/704672899.db2.gz HQUKCRXXNIODMQ-HUUCEWRRSA-N 1 0 336.367 1.214 20 5 EDBDRO CC(C)C[C@@H]1CN(C)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000922026735 709452714 /nfs/dbraw/zinc/45/27/14/709452714.db2.gz RNKHINRZUKWPNY-GFCCVEGCSA-N 1 0 342.421 1.341 20 5 EDBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC001034643344 710319253 /nfs/dbraw/zinc/31/92/53/710319253.db2.gz MVSDCOHYIAQWRU-KBUPBQIOSA-N 1 0 348.403 1.272 20 5 EDBDRO Cc1csc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001034643420 710319335 /nfs/dbraw/zinc/31/93/35/710319335.db2.gz OTQVTWZEUZAUCR-FDYHWXHSSA-N 1 0 338.433 1.634 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC[N@@H+](C)C(C)C)cc([N+](=O)[O-])c1F ZINC000154300391 711600345 /nfs/dbraw/zinc/60/03/45/711600345.db2.gz QMNXUSRRFXTOKF-UHFFFAOYSA-N 1 0 333.385 1.661 20 5 EDBDRO COc1ccc(CN2CCN(CC[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000051740986 214102559 /nfs/dbraw/zinc/10/25/59/214102559.db2.gz KTEPSEPWSVCJMD-UHFFFAOYSA-N 1 0 348.447 1.817 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000052634993 214137937 /nfs/dbraw/zinc/13/79/37/214137937.db2.gz RJALLEVZBRYEKI-LBPRGKRZSA-N 1 0 336.392 1.568 20 5 EDBDRO CC[C@]1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCC[NH2+]1 ZINC000129000703 529387000 /nfs/dbraw/zinc/38/70/00/529387000.db2.gz RNUBHOSDETXQBU-QGZVFWFLSA-N 1 0 332.404 1.776 20 5 EDBDRO NS(=O)(=O)CCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174246208 231158282 /nfs/dbraw/zinc/15/82/82/231158282.db2.gz RZBIDLJQRAMWQD-UHFFFAOYSA-N 1 0 343.405 1.117 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000175080719 231380463 /nfs/dbraw/zinc/38/04/63/231380463.db2.gz ONLRRURAQNMLJM-VXGBXAGGSA-N 1 0 327.406 1.746 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000175109333 231386208 /nfs/dbraw/zinc/38/62/08/231386208.db2.gz RGPPLUPBEQHXGO-CYBMUJFWSA-N 1 0 341.433 1.832 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2CC[N@@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000559258780 306252335 /nfs/dbraw/zinc/25/23/35/306252335.db2.gz XGLODTXLUIVTOQ-UHFFFAOYSA-N 1 0 348.403 1.186 20 5 EDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])C[C@@H]21 ZINC000153130378 529786543 /nfs/dbraw/zinc/78/65/43/529786543.db2.gz WUCNRPDSEWUEMM-JKSUJKDBSA-N 1 0 346.387 1.006 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCSc3ccccc32)c1 ZINC000559683029 306257645 /nfs/dbraw/zinc/25/76/45/306257645.db2.gz HFGMDTUUCKHGIX-TZMCWYRMSA-N 1 0 334.401 1.979 20 5 EDBDRO CNS(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000187177045 530018264 /nfs/dbraw/zinc/01/82/64/530018264.db2.gz QANCNGRGTRCFGD-TZMCWYRMSA-N 1 0 341.433 1.445 20 5 EDBDRO COC[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000178006118 232056231 /nfs/dbraw/zinc/05/62/31/232056231.db2.gz ILCRNJWKWFDDFA-CQSZACIVSA-N 1 0 345.421 1.134 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NCC[N@H+](C)C(C)C)cc([N+](=O)[O-])c1 ZINC000101955338 219175772 /nfs/dbraw/zinc/17/57/72/219175772.db2.gz ODHWSSATHNLQGT-UHFFFAOYSA-N 1 0 337.376 1.842 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000561159704 306283349 /nfs/dbraw/zinc/28/33/49/306283349.db2.gz VMEUHCCLXUGHDL-CHWSQXEVSA-N 1 0 334.376 1.225 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC(N)=O)CC(C)C ZINC000067962926 215261163 /nfs/dbraw/zinc/26/11/63/215261163.db2.gz CAYXSIZLFSFBJA-UHFFFAOYSA-N 1 0 336.392 1.675 20 5 EDBDRO C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000180880607 234018854 /nfs/dbraw/zinc/01/88/54/234018854.db2.gz VJTCWJVCWMLYMZ-YGRLFVJLSA-N 1 0 345.396 1.920 20 5 EDBDRO O=C(NCCC[NH2+]C1CC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000563165765 306321228 /nfs/dbraw/zinc/32/12/28/306321228.db2.gz PDDYHCPETRYUPD-UHFFFAOYSA-N 1 0 330.348 1.047 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000183384915 235040022 /nfs/dbraw/zinc/04/00/22/235040022.db2.gz KIKQSRMGUMGCJJ-CQSZACIVSA-N 1 0 348.403 1.186 20 5 EDBDRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])o1 ZINC000183406495 235054111 /nfs/dbraw/zinc/05/41/11/235054111.db2.gz UTIVKMABBQMYNI-CQSZACIVSA-N 1 0 345.355 1.684 20 5 EDBDRO Cc1c([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000183461983 235092024 /nfs/dbraw/zinc/09/20/24/235092024.db2.gz LZVIZNLHOGTLBF-LLVKDONJSA-N 1 0 331.376 1.950 20 5 EDBDRO [NH3+]CCC1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000563339972 306328269 /nfs/dbraw/zinc/32/82/69/306328269.db2.gz XXNYGIJHJLPSAB-UHFFFAOYSA-N 1 0 348.403 1.302 20 5 EDBDRO C[NH+]1CCN(CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000413073798 304056394 /nfs/dbraw/zinc/05/63/94/304056394.db2.gz NGPUTJWACVDZJV-JKSUJKDBSA-N 1 0 332.404 1.062 20 5 EDBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000090015342 138277228 /nfs/dbraw/zinc/27/72/28/138277228.db2.gz HKYSUQMFUVOAHR-LLVKDONJSA-N 1 0 327.406 1.651 20 5 EDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCCC[C@H]2O)CC1 ZINC000564216427 306357381 /nfs/dbraw/zinc/35/73/81/306357381.db2.gz UWXOROBQDNRGMP-RHSMWYFYSA-N 1 0 347.415 1.904 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178927710 138747881 /nfs/dbraw/zinc/74/78/81/138747881.db2.gz JHMTWGRNUWEYSG-LLVKDONJSA-N 1 0 341.433 1.905 20 5 EDBDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564849214 306367261 /nfs/dbraw/zinc/36/72/61/306367261.db2.gz JUFSXDHWZDUUPZ-ISTRZQFTSA-N 1 0 335.404 1.407 20 5 EDBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000131041121 223198606 /nfs/dbraw/zinc/19/86/06/223198606.db2.gz YBYPKNCNBVWVDL-OAHLLOKOSA-N 1 0 329.360 1.734 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000072639607 216287184 /nfs/dbraw/zinc/28/71/84/216287184.db2.gz IGDBLYKREDENLU-QWHCGFSZSA-N 1 0 346.387 1.537 20 5 EDBDRO COC(=O)[C@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000414483951 304118616 /nfs/dbraw/zinc/11/86/16/304118616.db2.gz GCSUUOQNLQJWNP-ZQMJAJRESA-N 1 0 333.388 1.645 20 5 EDBDRO O=C(N1CC[C@@H]2CC[NH2+][C@@H]2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000373057012 283894494 /nfs/dbraw/zinc/89/44/94/283894494.db2.gz NAPNLKWCNMHKEE-GXFFZTMASA-N 1 0 325.315 1.897 20 5 EDBDRO Cc1c(F)cc(S(=O)(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000132861861 223369124 /nfs/dbraw/zinc/36/91/24/223369124.db2.gz NKFXPNYSEZPMPY-UHFFFAOYSA-N 1 0 331.369 1.415 20 5 EDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2C[NH2+]CCCO2)c1 ZINC000415039939 304153399 /nfs/dbraw/zinc/15/33/99/304153399.db2.gz NNUYUIIZTASCTR-LBPRGKRZSA-N 1 0 331.319 1.664 20 5 EDBDRO COC(=O)COc1ccc(CN[C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415079839 304158209 /nfs/dbraw/zinc/15/82/09/304158209.db2.gz XWBJGYZJWBMVDF-CYBMUJFWSA-N 1 0 337.376 1.378 20 5 EDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000223863686 139021225 /nfs/dbraw/zinc/02/12/25/139021225.db2.gz JVIGKDKCIKJYIU-JTQLQIEISA-N 1 0 344.213 1.410 20 5 EDBDRO C[NH+](C)C[C@@](C)(O)CNc1c(Br)cncc1[N+](=O)[O-] ZINC000231630869 139025363 /nfs/dbraw/zinc/02/53/63/139025363.db2.gz YNWSSFCGWOGCIQ-NSHDSACASA-N 1 0 333.186 1.477 20 5 EDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000236669516 139028168 /nfs/dbraw/zinc/02/81/68/139028168.db2.gz PRSQQKBBJHMGEB-INIZCTEOSA-N 1 0 332.360 1.540 20 5 EDBDRO C[NH2+]CC1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000237357553 139049109 /nfs/dbraw/zinc/04/91/09/139049109.db2.gz BOILRCNKDLOKGX-UHFFFAOYSA-N 1 0 347.824 1.868 20 5 EDBDRO C[C@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000237641042 139056641 /nfs/dbraw/zinc/05/66/41/139056641.db2.gz DMQMHUVILWZOHN-VIFPVBQESA-N 1 0 347.293 1.970 20 5 EDBDRO C[C@@](C[NH3+])(NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000237646029 139056803 /nfs/dbraw/zinc/05/68/03/139056803.db2.gz JDYZOQJLBDDSGU-INIZCTEOSA-N 1 0 329.360 1.638 20 5 EDBDRO [NH3+]CC1(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCCC1 ZINC000237793415 139060448 /nfs/dbraw/zinc/06/04/48/139060448.db2.gz QHGHTQIVOFGERJ-UHFFFAOYSA-N 1 0 329.360 1.782 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415282431 304184958 /nfs/dbraw/zinc/18/49/58/304184958.db2.gz MLFOTDCBHPDABQ-JTQLQIEISA-N 1 0 338.339 1.130 20 5 EDBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415317579 304193001 /nfs/dbraw/zinc/19/30/01/304193001.db2.gz PPCXLIWUCGBXDJ-GFCCVEGCSA-N 1 0 348.403 1.699 20 5 EDBDRO C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000247072184 139134205 /nfs/dbraw/zinc/13/42/05/139134205.db2.gz WQBGAQPDRCKBMD-IJEWVQPXSA-N 1 0 337.420 1.749 20 5 EDBDRO [NH3+][C@@H]1C[C@@H]2CN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000568415207 306481143 /nfs/dbraw/zinc/48/11/43/306481143.db2.gz KZHBJESFENSVDP-PSASIEDQSA-N 1 0 345.186 1.650 20 5 EDBDRO COC(=O)[C@H]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000249154457 139187947 /nfs/dbraw/zinc/18/79/47/139187947.db2.gz YJAKKZWQLTXMPQ-JSGCOSHPSA-N 1 0 349.387 1.973 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)c1 ZINC000261653394 139214582 /nfs/dbraw/zinc/21/45/82/139214582.db2.gz FFHDTDUBWFTIGD-ZDUSSCGKSA-N 1 0 347.824 1.916 20 5 EDBDRO [NH3+]CCCOC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000261747289 139222710 /nfs/dbraw/zinc/22/27/10/139222710.db2.gz OOKNKVQLUTXSTL-UHFFFAOYSA-N 1 0 343.405 1.113 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000261791035 139226342 /nfs/dbraw/zinc/22/63/42/139226342.db2.gz TXAKGMSAUBHFIC-MNOVXSKESA-N 1 0 343.405 1.270 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415489932 304224562 /nfs/dbraw/zinc/22/45/62/304224562.db2.gz VAHREFMXZBHFSP-NEPJUHHUSA-N 1 0 332.360 1.195 20 5 EDBDRO COc1ccc(CSCC(=O)NCC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000262043316 139246115 /nfs/dbraw/zinc/24/61/15/139246115.db2.gz SRAVBYITLFEPTN-UHFFFAOYSA-N 1 0 325.390 1.172 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000415499155 250974077 /nfs/dbraw/zinc/97/40/77/250974077.db2.gz JNYQPOOAYJDTCJ-JOYOIKCWSA-N 1 0 338.364 1.838 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415571648 304228504 /nfs/dbraw/zinc/22/85/04/304228504.db2.gz MWASJJVGJOFONF-ZYHUDNBSSA-N 1 0 334.376 1.291 20 5 EDBDRO Cc1cc(N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)ncc1[N+](=O)[O-] ZINC000262297519 139267741 /nfs/dbraw/zinc/26/77/41/139267741.db2.gz WYJHMUAGYMSMPO-UONOGXRCSA-N 1 0 347.419 1.383 20 5 EDBDRO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262350084 139272387 /nfs/dbraw/zinc/27/23/87/139272387.db2.gz UIOFLJKFHUGTFH-MFKMUULPSA-N 1 0 348.384 1.028 20 5 EDBDRO C[C@@H](NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000418777996 251432460 /nfs/dbraw/zinc/43/24/60/251432460.db2.gz IFCRAXUGWHQIQP-CHWSQXEVSA-N 1 0 348.403 1.278 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cccc1[N+](=O)[O-] ZINC000415588301 304233651 /nfs/dbraw/zinc/23/36/51/304233651.db2.gz XPWNCMYITRYOFG-AVGNSLFASA-N 1 0 346.387 1.428 20 5 EDBDRO CCOc1cc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000262713693 139298360 /nfs/dbraw/zinc/29/83/60/139298360.db2.gz DDBZPDJWWSUJID-PWSUYJOCSA-N 1 0 337.376 1.730 20 5 EDBDRO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000152455602 223967217 /nfs/dbraw/zinc/96/72/17/223967217.db2.gz GYMFOCMJPXNTRX-DZGCQCFKSA-N 1 0 346.387 1.067 20 5 EDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000262806396 139305031 /nfs/dbraw/zinc/30/50/31/139305031.db2.gz XAARAWVJVJADDH-SECBINFHSA-N 1 0 335.813 1.833 20 5 EDBDRO Cc1c(C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000262868713 139309273 /nfs/dbraw/zinc/30/92/73/139309273.db2.gz UUBGDTVSCCMGLO-QWRGUYRKSA-N 1 0 344.375 1.306 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424123504 252132818 /nfs/dbraw/zinc/13/28/18/252132818.db2.gz KYWWHNMJYIRCJF-CYBMUJFWSA-N 1 0 344.375 1.083 20 5 EDBDRO Cc1ccc(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000424422416 252223241 /nfs/dbraw/zinc/22/32/41/252223241.db2.gz SQDNRZAYWCECED-UONOGXRCSA-N 1 0 344.375 1.595 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](N3CC[NH2+]CC3)C2)c2ncccc12 ZINC000261716849 285128398 /nfs/dbraw/zinc/12/83/98/285128398.db2.gz QFPOZWVIFAWSQP-CYBMUJFWSA-N 1 0 327.388 1.627 20 5 EDBDRO C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181647616 533099601 /nfs/dbraw/zinc/09/96/01/533099601.db2.gz HDLRBUXARKGQFB-OLZOCXBDSA-N 1 0 335.408 1.561 20 5 EDBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@H](N4CC[NH2+]CC4)C3)ccc2c1 ZINC000261765804 285150488 /nfs/dbraw/zinc/15/04/88/285150488.db2.gz WFZMDTFHNVOIST-HNNXBMFYSA-N 1 0 327.388 1.627 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000415730256 304262137 /nfs/dbraw/zinc/26/21/37/304262137.db2.gz TXFHXCRMDWQEIC-KRWDZBQOSA-N 1 0 346.387 1.444 20 5 EDBDRO NC(=O)c1ccc(C[NH2+][C@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC000429322630 254508818 /nfs/dbraw/zinc/50/88/18/254508818.db2.gz NFVSMTXYJDAEFG-ZDUSSCGKSA-N 1 0 327.340 1.656 20 5 EDBDRO CO[C@H]1C[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1OC ZINC000488002626 255040621 /nfs/dbraw/zinc/04/06/21/255040621.db2.gz OSILLBYYLMKSLU-GJZGRUSLSA-N 1 0 337.376 1.577 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493550474 255215314 /nfs/dbraw/zinc/21/53/14/255215314.db2.gz IECLKHBIOCTHJO-PODYEWJSSA-N 1 0 332.404 1.360 20 5 EDBDRO COc1cc(C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)ccc1[N+](=O)[O-] ZINC000496273935 255373237 /nfs/dbraw/zinc/37/32/37/255373237.db2.gz KQYMRTKGRZXNNG-CYBMUJFWSA-N 1 0 335.360 1.878 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000119312055 221291900 /nfs/dbraw/zinc/29/19/00/221291900.db2.gz SRCBIWLCUCVRAU-SWLSCSKDSA-N 1 0 348.403 1.640 20 5 EDBDRO CC(C)(C)[C@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000264308120 139395776 /nfs/dbraw/zinc/39/57/76/139395776.db2.gz ZAVWYIBXSMFBAS-OAHLLOKOSA-N 1 0 335.404 1.760 20 5 EDBDRO C[C@@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1[NH+](C)C ZINC000270651259 140140965 /nfs/dbraw/zinc/14/09/65/140140965.db2.gz MAMDRYPFIPACFT-MLGOLLRUSA-N 1 0 332.404 1.366 20 5 EDBDRO COc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000271088190 140234024 /nfs/dbraw/zinc/23/40/24/140234024.db2.gz JWVKEGWEJDDWJB-LBPRGKRZSA-N 1 0 339.367 1.901 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000271409429 140291844 /nfs/dbraw/zinc/29/18/44/140291844.db2.gz ODHAAYZGSYQAHD-AAEUAGOBSA-N 1 0 333.392 1.417 20 5 EDBDRO COC(=O)CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000271783281 140349586 /nfs/dbraw/zinc/34/95/86/140349586.db2.gz SOSIMOWARVQRTH-LBPRGKRZSA-N 1 0 339.367 1.803 20 5 EDBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000331659702 141063558 /nfs/dbraw/zinc/06/35/58/141063558.db2.gz OAMCXSXPUUJRJY-DOTOQJQBSA-N 1 0 333.388 1.625 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2(CO)CCOCC2)n1 ZINC000332050910 141115140 /nfs/dbraw/zinc/11/51/40/141115140.db2.gz MWMYGXVFLKTFBR-ZIAGYGMSSA-N 1 0 338.408 1.654 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3OC)[C@H]2C1 ZINC000339385975 142033288 /nfs/dbraw/zinc/03/32/88/142033288.db2.gz SQZJCPHNKZFPLP-JKSUJKDBSA-N 1 0 335.404 1.898 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000339668089 142113524 /nfs/dbraw/zinc/11/35/24/142113524.db2.gz ZZOADDZZHRXOBT-UONOGXRCSA-N 1 0 347.371 1.738 20 5 EDBDRO NC(=O)c1ccc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)c([N+](=O)[O-])c1 ZINC000339764948 142149260 /nfs/dbraw/zinc/14/92/60/142149260.db2.gz VNWAGGFBDSAAOP-NVXWUHKLSA-N 1 0 349.387 1.103 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000262797757 292086533 /nfs/dbraw/zinc/08/65/33/292086533.db2.gz UONJHCRHWIXXPO-RYUDHWBXSA-N 1 0 327.406 1.583 20 5 EDBDRO Cn1cc(C[NH2+]C[C@@H](O)C(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344757119 143008077 /nfs/dbraw/zinc/00/80/77/143008077.db2.gz JVADLAIBWORGTN-GFCCVEGCSA-N 1 0 326.303 1.711 20 5 EDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)C2)C1 ZINC000346290378 143187587 /nfs/dbraw/zinc/18/75/87/143187587.db2.gz CNWDGUHKOOFDGD-INIZCTEOSA-N 1 0 339.342 1.970 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346460032 143206988 /nfs/dbraw/zinc/20/69/88/143206988.db2.gz RIXXWTREAQHHSM-AWEZNQCLSA-N 1 0 346.387 1.538 20 5 EDBDRO C[C@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000347148809 143287772 /nfs/dbraw/zinc/28/77/72/143287772.db2.gz ARPPAXQSYFSJJB-NHYWBVRUSA-N 1 0 339.367 1.190 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1Cc1nc([C@H]2CN3CCC[C@@]3(C)CO2)no1 ZINC000347323245 143308553 /nfs/dbraw/zinc/30/85/53/143308553.db2.gz APONZHHCNPROSO-ABAIWWIYSA-N 1 0 348.363 1.457 20 5 EDBDRO C[C@@H](CCNC(=O)Cn1cnc([N+](=O)[O-])n1)[N@H+](C)Cc1ccccc1 ZINC000349053786 143476280 /nfs/dbraw/zinc/47/62/80/143476280.db2.gz OQQFOMDAATWZPO-ZDUSSCGKSA-N 1 0 346.391 1.213 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000112511693 292173801 /nfs/dbraw/zinc/17/38/01/292173801.db2.gz MOPSDQJMJJYXIP-YGRLFVJLSA-N 1 0 327.406 1.651 20 5 EDBDRO COc1cc(C[NH2+]C[C@H](C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000352744385 149145882 /nfs/dbraw/zinc/14/58/82/149145882.db2.gz BOPBRPUQNQLEHI-VIFPVBQESA-N 1 0 334.319 1.965 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@](C)(CO)C(C)C ZINC000352889464 149205687 /nfs/dbraw/zinc/20/56/87/149205687.db2.gz AFPAQNTVFKPGPM-HNNXBMFYSA-N 1 0 325.365 1.539 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000353353168 149376792 /nfs/dbraw/zinc/37/67/92/149376792.db2.gz XEPIFTXNPRQRCY-LBPRGKRZSA-N 1 0 348.403 1.314 20 5 EDBDRO COc1cc(C[NH2+][C@H](C)CCN2CCOCC2)c([N+](=O)[O-])cc1O ZINC000076897775 286221993 /nfs/dbraw/zinc/22/19/93/286221993.db2.gz ZPNRAXIHAXUBQR-GFCCVEGCSA-N 1 0 339.392 1.509 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000357385630 151014678 /nfs/dbraw/zinc/01/46/78/151014678.db2.gz FUOJWXAJYWNLIR-RISCZKNCSA-N 1 0 349.387 1.984 20 5 EDBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000358066073 151255536 /nfs/dbraw/zinc/25/55/36/151255536.db2.gz MBBBFAVBYUQSOI-ZDUSSCGKSA-N 1 0 347.293 1.410 20 5 EDBDRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000358281974 151325712 /nfs/dbraw/zinc/32/57/12/151325712.db2.gz DQOJYGYWNVSZCA-NWDGAFQWSA-N 1 0 331.376 1.998 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000359680172 151788388 /nfs/dbraw/zinc/78/83/88/151788388.db2.gz YUNOZOZWVMTDJA-OAHLLOKOSA-N 1 0 339.417 1.771 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000360543089 152087656 /nfs/dbraw/zinc/08/76/56/152087656.db2.gz GOTSPHODSKGPPZ-QGZVFWFLSA-N 1 0 348.403 1.617 20 5 EDBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000370159191 155354191 /nfs/dbraw/zinc/35/41/91/155354191.db2.gz FSQALWINGFGQBG-LRDDRELGSA-N 1 0 341.371 1.605 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000417183600 304381691 /nfs/dbraw/zinc/38/16/91/304381691.db2.gz PYXHSKPIGGLTPK-CQDKDKBSSA-N 1 0 348.403 1.872 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417189570 304382432 /nfs/dbraw/zinc/38/24/32/304382432.db2.gz XEOWYIRZYWJHCW-AWEZNQCLSA-N 1 0 334.376 1.639 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000363891217 153087170 /nfs/dbraw/zinc/08/71/70/153087170.db2.gz STPBVJXIDDHFEO-UHFFFAOYSA-N 1 0 334.420 1.499 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000364061414 153136209 /nfs/dbraw/zinc/13/62/09/153136209.db2.gz NUCWXNXQIPRZRY-LBPRGKRZSA-N 1 0 325.390 1.454 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000364174375 153163909 /nfs/dbraw/zinc/16/39/09/153163909.db2.gz LOAPYABEQWSQBA-DEQVHRJGSA-N 1 0 346.387 1.194 20 5 EDBDRO O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)Nc1ccncc1[N+](=O)[O-] ZINC000367791531 154273059 /nfs/dbraw/zinc/27/30/59/154273059.db2.gz DFGLJTDCNYDSHW-JSGCOSHPSA-N 1 0 349.391 1.034 20 5 EDBDRO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000367916953 154323638 /nfs/dbraw/zinc/32/36/38/154323638.db2.gz KFIDRAQWPGYTFO-STQMWFEESA-N 1 0 333.392 1.892 20 5 EDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000368370677 154527590 /nfs/dbraw/zinc/52/75/90/154527590.db2.gz QWMZLIIJYWJQRU-QWRGUYRKSA-N 1 0 333.323 1.210 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(c3nccs3)CC2)c1 ZINC000368403375 154544244 /nfs/dbraw/zinc/54/42/44/154544244.db2.gz CGEDLJKCRLNOHC-ZDUSSCGKSA-N 1 0 337.405 1.488 20 5 EDBDRO CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000368426771 154554350 /nfs/dbraw/zinc/55/43/50/154554350.db2.gz YFYHFIQCVOGIJH-LLVKDONJSA-N 1 0 325.340 1.713 20 5 EDBDRO CCC[N@@H+]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000371693151 156065683 /nfs/dbraw/zinc/06/56/83/156065683.db2.gz OUAIHBHBLJZSSZ-HNNXBMFYSA-N 1 0 337.420 1.752 20 5 EDBDRO O=C(CC[N@@H+]1CC[C@@H](n2cncn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000372363315 156352519 /nfs/dbraw/zinc/35/25/19/156352519.db2.gz CBMTZGQEWQUIDJ-CQSZACIVSA-N 1 0 330.348 1.462 20 5 EDBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373060430 156662653 /nfs/dbraw/zinc/66/26/53/156662653.db2.gz WXYBVWHRUZFFGB-GXTWGEPZSA-N 1 0 341.371 1.605 20 5 EDBDRO O=C(CC[N@@H+]1CCC[C@H](c2nnc[nH]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000374049963 157121951 /nfs/dbraw/zinc/12/19/51/157121951.db2.gz LSDGSWMTVTWXAB-LBPRGKRZSA-N 1 0 344.375 1.921 20 5 EDBDRO Nc1c(C(=O)N2CCC[N@@H+](C3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000377974912 158044528 /nfs/dbraw/zinc/04/45/28/158044528.db2.gz DIPZFWKPKLMHOU-UHFFFAOYSA-N 1 0 348.403 1.504 20 5 EDBDRO Cc1cc(C=C2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)no1 ZINC000378152086 158093563 /nfs/dbraw/zinc/09/35/63/158093563.db2.gz OXZCBNOCXTZFGO-MRXNPFEDSA-N 1 0 347.375 1.628 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC=C(c3cccnc3)CC2)c1 ZINC000378346602 158147827 /nfs/dbraw/zinc/14/78/27/158147827.db2.gz GFCJFXFIRDRZRS-MRXNPFEDSA-N 1 0 329.360 1.337 20 5 EDBDRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000378361210 158152749 /nfs/dbraw/zinc/15/27/49/158152749.db2.gz DTWQPBZZNLKICC-ZFWWWQNUSA-N 1 0 334.380 1.113 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc([N+](=O)[O-])n3C)CC2)CCO1 ZINC000408039310 158248332 /nfs/dbraw/zinc/24/83/32/158248332.db2.gz WCGCVWLYBJXBIS-GFCCVEGCSA-N 1 0 336.392 1.259 20 5 EDBDRO CS[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000330534637 286704207 /nfs/dbraw/zinc/70/42/07/286704207.db2.gz IVKIFKJHXZPTGX-CHWSQXEVSA-N 1 0 327.381 1.852 20 5 EDBDRO CCOc1cc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000351767819 161812398 /nfs/dbraw/zinc/81/23/98/161812398.db2.gz YPNJTNGZBIGQCO-QWRGUYRKSA-N 1 0 337.376 1.811 20 5 EDBDRO COc1cc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000352546589 162244103 /nfs/dbraw/zinc/24/41/03/162244103.db2.gz XMHTYZJJFGQXBF-OAHLLOKOSA-N 1 0 335.404 1.758 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418085750 304456632 /nfs/dbraw/zinc/45/66/32/304456632.db2.gz WPGRHERGXNBSOR-KOLCDFICSA-N 1 0 332.364 1.268 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC(C)(CO)CO ZINC000159516984 225232109 /nfs/dbraw/zinc/23/21/09/225232109.db2.gz YOYOFTGBQFOXMI-UHFFFAOYSA-N 1 0 339.392 1.155 20 5 EDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000165853355 226139121 /nfs/dbraw/zinc/13/91/21/226139121.db2.gz CZLBTKAZEWGRFM-QMMMGPOBSA-N 1 0 328.166 1.778 20 5 EDBDRO COc1ccc(OCCN2CCN(C(C)=O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000268658095 273022019 /nfs/dbraw/zinc/02/20/19/273022019.db2.gz HWQILOPSNBZWRY-GFCCVEGCSA-N 1 0 337.376 1.535 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000273314994 268022619 /nfs/dbraw/zinc/02/26/19/268022619.db2.gz JEBQLEBXYGSPRQ-CVEARBPZSA-N 1 0 349.431 1.895 20 5 EDBDRO C[C@H](CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000273313559 268022867 /nfs/dbraw/zinc/02/28/67/268022867.db2.gz WDCRSQGJSJMOJN-CYBMUJFWSA-N 1 0 336.392 1.137 20 5 EDBDRO COc1ccc(NC(=O)CC[NH2+][C@H](CCO)C(C)C)c([N+](=O)[O-])c1 ZINC000274011545 268097846 /nfs/dbraw/zinc/09/78/46/268097846.db2.gz LVVISVPXALJBIL-CYBMUJFWSA-N 1 0 339.392 1.929 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000275444288 268343690 /nfs/dbraw/zinc/34/36/90/268343690.db2.gz WWAIKRSHZBJIHA-VHSXEESVSA-N 1 0 325.394 1.195 20 5 EDBDRO CC1(C)C[C@H]([NH2+]CCCNS(C)(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000278969771 268759051 /nfs/dbraw/zinc/75/90/51/268759051.db2.gz BZMRAOICUVJARW-AWEZNQCLSA-N 1 0 341.433 1.846 20 5 EDBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000274110537 273070076 /nfs/dbraw/zinc/07/00/76/273070076.db2.gz VOMQLQBOLKXOHZ-GHMZBOCLSA-N 1 0 325.365 1.539 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCC1 ZINC000275848032 273131669 /nfs/dbraw/zinc/13/16/69/273131669.db2.gz HRELXMPFKPCBFP-UHFFFAOYSA-N 1 0 344.375 1.390 20 5 EDBDRO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000282449628 273653734 /nfs/dbraw/zinc/65/37/34/273653734.db2.gz SIYVKIMZJJDOMI-KCJUWKMLSA-N 1 0 340.767 1.443 20 5 EDBDRO COc1ccc([C@@H](O)[C@@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000378251312 274117136 /nfs/dbraw/zinc/11/71/36/274117136.db2.gz VAMUAZLMNIDLRH-DOTOQJQBSA-N 1 0 346.387 1.998 20 5 EDBDRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000058561789 274285765 /nfs/dbraw/zinc/28/57/65/274285765.db2.gz IYVGFBVWAUBZDF-GFCCVEGCSA-N 1 0 327.406 1.748 20 5 EDBDRO O=C1[C@H]([N@@H+]2CC[C@H]3OCC[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000366905369 275030258 /nfs/dbraw/zinc/03/02/58/275030258.db2.gz GDCQFSTVUTWDAY-APHBMKBZSA-N 1 0 331.372 1.811 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000373251077 275044016 /nfs/dbraw/zinc/04/40/16/275044016.db2.gz BXUIRAQYFLPBBJ-MRXNPFEDSA-N 1 0 329.356 1.696 20 5 EDBDRO CC[NH+]1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000106479468 276201855 /nfs/dbraw/zinc/20/18/55/276201855.db2.gz PLVBYDZAWMDCMP-AWEZNQCLSA-N 1 0 349.391 1.719 20 5 EDBDRO CC(C)(C(=O)NCCC[NH+]1CCCCCC1)n1cc([N+](=O)[O-])cn1 ZINC000338769302 277124521 /nfs/dbraw/zinc/12/45/21/277124521.db2.gz UTIMWOIZWOKPGS-UHFFFAOYSA-N 1 0 337.424 1.909 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000347949605 277216249 /nfs/dbraw/zinc/21/62/49/277216249.db2.gz VLNONWIQCSRJGR-LBPRGKRZSA-N 1 0 341.383 1.874 20 5 EDBDRO CNC(=O)c1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000133634556 277259234 /nfs/dbraw/zinc/25/92/34/277259234.db2.gz ZECSHCUGKLJLTP-KGLIPLIRSA-N 1 0 332.404 1.875 20 5 EDBDRO COc1cc(C(=O)N2CCC([C@H](C)[NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000171627997 277367629 /nfs/dbraw/zinc/36/76/29/277367629.db2.gz RRPIUGRCUUNRGR-JTQLQIEISA-N 1 0 337.376 1.811 20 5 EDBDRO C[C@@H]1[C@H]([NH3+])CCN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000420242602 278098818 /nfs/dbraw/zinc/09/88/18/278098818.db2.gz BUUMEPVJBCREEO-ZYHUDNBSSA-N 1 0 329.360 1.485 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000237507509 278866198 /nfs/dbraw/zinc/86/61/98/278866198.db2.gz MSKMNIGQTMKMIE-GWCFXTLKSA-N 1 0 327.406 1.651 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000367831155 280655936 /nfs/dbraw/zinc/65/59/36/280655936.db2.gz GUYQFERAPWVVFV-WCQYABFASA-N 1 0 325.390 1.194 20 5 EDBDRO COCC[NH+]1CCC(Nc2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000288289056 288450635 /nfs/dbraw/zinc/45/06/35/288450635.db2.gz GSARAQXICFSXCC-UHFFFAOYSA-N 1 0 338.364 1.299 20 5 EDBDRO Cc1c(CC(=O)N[C@@H](CO)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000288547914 288511641 /nfs/dbraw/zinc/51/16/41/288511641.db2.gz PIJSXOPLKDKMIG-OAHLLOKOSA-N 1 0 335.404 1.409 20 5 EDBDRO COC(=O)CC[C@H]([NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000288590312 288522074 /nfs/dbraw/zinc/52/20/74/288522074.db2.gz MUIVELJCPRNLIS-LBPRGKRZSA-N 1 0 343.767 1.487 20 5 EDBDRO C[C@@H]1C[C@H](C[NH3+])CN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420323706 288689103 /nfs/dbraw/zinc/68/91/03/288689103.db2.gz UNTWQCGNARSQRF-VXGBXAGGSA-N 1 0 327.406 1.038 20 5 EDBDRO CON(C)C(=O)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000292017646 289240027 /nfs/dbraw/zinc/24/00/27/289240027.db2.gz YDUMXDVQXANLOG-OAHLLOKOSA-N 1 0 337.376 1.360 20 5 EDBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000331485810 289576630 /nfs/dbraw/zinc/57/66/30/289576630.db2.gz QLSLERKXUIWVST-CYBMUJFWSA-N 1 0 336.392 1.137 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000268270934 297061427 /nfs/dbraw/zinc/06/14/27/297061427.db2.gz SPHVWQLJTSHJHV-SKDRFNHKSA-N 1 0 347.824 1.819 20 5 EDBDRO [NH2+]=C(NO)[C@@H]1CCCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000368649632 295006392 /nfs/dbraw/zinc/00/63/92/295006392.db2.gz HHIYPMWSUTYEPW-ZDUSSCGKSA-N 1 0 347.375 1.294 20 5 EDBDRO C[C@H](NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000419159235 304572630 /nfs/dbraw/zinc/57/26/30/304572630.db2.gz ZAQLUDDAVOWBMC-QWHCGFSZSA-N 1 0 348.403 1.359 20 5 EDBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000419982656 304720487 /nfs/dbraw/zinc/72/04/87/304720487.db2.gz AEWBYGQQKQFPJO-KRWDZBQOSA-N 1 0 348.403 1.368 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000193282102 301199129 /nfs/dbraw/zinc/19/91/29/301199129.db2.gz ZLEBMDQRGNSLIG-LBPRGKRZSA-N 1 0 329.422 1.863 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000331777688 302043412 /nfs/dbraw/zinc/04/34/12/302043412.db2.gz CRTKDQRSFWHUDW-WCQYABFASA-N 1 0 325.390 1.276 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(CO)(c3ccccc3)CC2)c1 ZINC000293477156 302971856 /nfs/dbraw/zinc/97/18/56/302971856.db2.gz XVCOWNAPWHFMBQ-UHFFFAOYSA-N 1 0 330.388 1.817 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000293879412 303032921 /nfs/dbraw/zinc/03/29/21/303032921.db2.gz KXXDDLHHPWRKGZ-JKSUJKDBSA-N 1 0 333.388 1.838 20 5 EDBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C2)C1 ZINC000294154765 303070280 /nfs/dbraw/zinc/07/02/80/303070280.db2.gz NOLIEVIELDAFBP-QGZVFWFLSA-N 1 0 332.404 1.951 20 5 EDBDRO C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000295218895 303190158 /nfs/dbraw/zinc/19/01/58/303190158.db2.gz QTPFYSBZHCQEHN-IJLUTSLNSA-N 1 0 343.405 1.029 20 5 EDBDRO O=C(NCC[NH+]1CCC(O)CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000296914965 303346696 /nfs/dbraw/zinc/34/66/96/303346696.db2.gz LGRYWMSYXYHNNX-UHFFFAOYSA-N 1 0 332.360 1.263 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[NH+]1CCCCC1 ZINC000297923727 303469192 /nfs/dbraw/zinc/46/91/92/303469192.db2.gz QREXZLKVNOKEBB-UHFFFAOYSA-N 1 0 348.403 1.752 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000448601357 447333385 /nfs/dbraw/zinc/33/33/85/447333385.db2.gz SHXPHAOQYAMIEU-JTQLQIEISA-N 1 0 325.340 1.957 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(NC3CC[NH+]([C@@H]4CCOC4)CC3)nn21 ZINC000301970564 303705667 /nfs/dbraw/zinc/70/56/67/303705667.db2.gz RNNXMZAUSYCBKL-GFCCVEGCSA-N 1 0 332.364 1.303 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(CCC[NH3+])Cc2ccccc2)n1 ZINC000423631460 304902534 /nfs/dbraw/zinc/90/25/34/304902534.db2.gz ZWLKMZNQKVNJBQ-UHFFFAOYSA-N 1 0 331.376 1.802 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423986410 304922586 /nfs/dbraw/zinc/92/25/86/304922586.db2.gz XZTQXOKPIQGOJD-LSDHHAIUSA-N 1 0 343.387 1.362 20 5 EDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000424007204 304924601 /nfs/dbraw/zinc/92/46/01/304924601.db2.gz BSXZHRNIOLDAMJ-WCQYABFASA-N 1 0 339.417 1.652 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@H]4[NH2+]CC[C@@H]4C3)n2)cc1 ZINC000428036448 305004949 /nfs/dbraw/zinc/00/49/49/305004949.db2.gz HUEHKRUROFSQDE-OCCSQVGLSA-N 1 0 329.360 1.829 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000428039594 305005051 /nfs/dbraw/zinc/00/50/51/305005051.db2.gz SEAFRUUQEYBDPI-DGCLKSJQSA-N 1 0 334.376 1.226 20 5 EDBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000429661767 305034261 /nfs/dbraw/zinc/03/42/61/305034261.db2.gz XKVXBIPXGVUCRH-OLZOCXBDSA-N 1 0 347.371 1.261 20 5 EDBDRO COc1cc(CN2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000430949923 305070222 /nfs/dbraw/zinc/07/02/22/305070222.db2.gz FLHAIIVITSLWPN-SECBINFHSA-N 1 0 331.319 1.985 20 5 EDBDRO C[NH+](C)CCCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000432576500 305094100 /nfs/dbraw/zinc/09/41/00/305094100.db2.gz CTEDOFLITPGJIK-UHFFFAOYSA-N 1 0 332.360 1.590 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000434705917 305128569 /nfs/dbraw/zinc/12/85/69/305128569.db2.gz LCSMQASJWBDESF-CMPLNLGQSA-N 1 0 335.360 1.165 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000435622165 305143760 /nfs/dbraw/zinc/14/37/60/305143760.db2.gz QIMFCZBVFXZISF-LBPRGKRZSA-N 1 0 336.392 1.616 20 5 EDBDRO C[C@H]1[NH2+]CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000436056329 305151628 /nfs/dbraw/zinc/15/16/28/305151628.db2.gz CTBYAZDZGZNQQU-NXEZZACHSA-N 1 0 326.784 1.869 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000439883283 305203196 /nfs/dbraw/zinc/20/31/96/305203196.db2.gz SUXUGDDAOOHNOK-HNNXBMFYSA-N 1 0 338.364 1.182 20 5 EDBDRO CC(C)c1ncc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000440484682 305207656 /nfs/dbraw/zinc/20/76/56/305207656.db2.gz KZMIFCMZFLMJQS-CQSZACIVSA-N 1 0 334.380 1.198 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000440758379 305212305 /nfs/dbraw/zinc/21/23/05/305212305.db2.gz VLHLLGIVOVPKJV-LDYMZIIASA-N 1 0 347.368 1.100 20 5 EDBDRO C[C@@H]1COCCN1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447535546 305281632 /nfs/dbraw/zinc/28/16/32/305281632.db2.gz GXNCZZWCNCZLTR-RBSFLKMASA-N 1 0 337.424 1.585 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](CO)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000447901354 305288178 /nfs/dbraw/zinc/28/81/78/305288178.db2.gz BUGZKCGRZYQUIK-WHOFXGATSA-N 1 0 337.376 1.360 20 5 EDBDRO NC(=O)NC(=O)CCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549688 305352779 /nfs/dbraw/zinc/35/27/79/305352779.db2.gz QEBPOCGQWRCCNN-CYBMUJFWSA-N 1 0 334.376 1.749 20 5 EDBDRO CN1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451548716 305352827 /nfs/dbraw/zinc/35/28/27/305352827.db2.gz NWKQAICAVHLAJL-INIZCTEOSA-N 1 0 346.431 1.548 20 5 EDBDRO CNc1nc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456046481 305450732 /nfs/dbraw/zinc/45/07/32/305450732.db2.gz GEPWNZDOXUNZTR-NWDGAFQWSA-N 1 0 333.392 1.730 20 5 EDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000514938598 305710317 /nfs/dbraw/zinc/71/03/17/305710317.db2.gz XIWVZIHWKHTFLY-CMPLNLGQSA-N 1 0 330.348 1.033 20 5 EDBDRO CC(C)(C)C(=O)NCC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000515467198 305722499 /nfs/dbraw/zinc/72/24/99/305722499.db2.gz SKRQKNDYVVNGRV-ZDUSSCGKSA-N 1 0 339.392 1.086 20 5 EDBDRO O=C(NC[C@H]1C[NH2+]CCO1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414928368 447360292 /nfs/dbraw/zinc/36/02/92/447360292.db2.gz AVXLBLYGCKVQBZ-SECBINFHSA-N 1 0 346.290 1.306 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cn2)Cc2ccccc2C1 ZINC000531628490 305963701 /nfs/dbraw/zinc/96/37/01/305963701.db2.gz QXSQGAMWLVMNAA-UHFFFAOYSA-N 1 0 340.383 1.819 20 5 EDBDRO CS(=O)(=O)C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000550700252 306153705 /nfs/dbraw/zinc/15/37/05/306153705.db2.gz WHCVGMKQXOMCIV-CQSZACIVSA-N 1 0 328.390 1.386 20 5 EDBDRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])C2)C1 ZINC000555407216 306201998 /nfs/dbraw/zinc/20/19/98/306201998.db2.gz WSFNPQWJTKWSPA-AWEZNQCLSA-N 1 0 340.405 1.096 20 5 EDBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1n[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC000073995071 441379503 /nfs/dbraw/zinc/37/95/03/441379503.db2.gz CWQDKFRUHFJHMZ-CMPLNLGQSA-N 1 0 329.360 1.780 20 5 EDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000083183810 441354266 /nfs/dbraw/zinc/35/42/66/441354266.db2.gz ACRXFBSVVXRJRS-UHFFFAOYSA-N 1 0 348.403 1.601 20 5 EDBDRO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H]1CCCOC1 ZINC000107689858 441426044 /nfs/dbraw/zinc/42/60/44/441426044.db2.gz ZRNVJOUMNCCCFA-CYBMUJFWSA-N 1 0 333.388 1.842 20 5 EDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000107889189 441433009 /nfs/dbraw/zinc/43/30/09/441433009.db2.gz WBWBFCAGUKZRSM-ZDUSSCGKSA-N 1 0 343.387 1.852 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CCCC[NH+](C)C ZINC000085295819 441433240 /nfs/dbraw/zinc/43/32/40/441433240.db2.gz XNVBVQBYKBKZGE-UHFFFAOYSA-N 1 0 329.422 1.866 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108406624 441452220 /nfs/dbraw/zinc/45/22/20/441452220.db2.gz YFVIQQLRDRDDAR-LLVKDONJSA-N 1 0 343.405 1.224 20 5 EDBDRO C[C@@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000088694770 441517187 /nfs/dbraw/zinc/51/71/87/441517187.db2.gz OIFUXLPVLZNNNM-RISCZKNCSA-N 1 0 327.406 1.651 20 5 EDBDRO CNc1ccc(C(=O)NCCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000053449547 441523522 /nfs/dbraw/zinc/52/35/22/441523522.db2.gz BIWNNSBQZWRIDI-UHFFFAOYSA-N 1 0 336.392 1.479 20 5 EDBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000088348471 441504323 /nfs/dbraw/zinc/50/43/23/441504323.db2.gz GTKLWDYFCKBURT-UHFFFAOYSA-N 1 0 332.360 1.974 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000113456318 441610870 /nfs/dbraw/zinc/61/08/70/441610870.db2.gz FYSGLOQHJJBHAH-GFCCVEGCSA-N 1 0 344.375 1.199 20 5 EDBDRO COC(=O)c1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000113230664 441590973 /nfs/dbraw/zinc/59/09/73/441590973.db2.gz FLZGHEOZELFKOM-SMDDNHRTSA-N 1 0 347.371 1.690 20 5 EDBDRO CC[NH+]1CCN(CCCNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000041443149 441653878 /nfs/dbraw/zinc/65/38/78/441653878.db2.gz PCGJDQDUGYYYOB-UHFFFAOYSA-N 1 0 334.420 1.281 20 5 EDBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000067949645 441699752 /nfs/dbraw/zinc/69/97/52/441699752.db2.gz SEUIIGILUUVASF-UHFFFAOYSA-N 1 0 342.421 1.399 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115585387 441761437 /nfs/dbraw/zinc/76/14/37/441761437.db2.gz AZUUPLHBKIYJAQ-CYBMUJFWSA-N 1 0 341.433 1.866 20 5 EDBDRO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173367422 441725016 /nfs/dbraw/zinc/72/50/16/441725016.db2.gz LHGABXNBNLBHMC-LBPRGKRZSA-N 1 0 341.433 1.917 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000068473272 441806773 /nfs/dbraw/zinc/80/67/73/441806773.db2.gz IMRCGDYZXHRDEV-NWDGAFQWSA-N 1 0 336.392 1.170 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000043304023 441829865 /nfs/dbraw/zinc/82/98/65/441829865.db2.gz CUWZQOWEJVWRDP-LBPRGKRZSA-N 1 0 336.392 1.568 20 5 EDBDRO CN(C)CC[NH+]1CCC(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173724331 441830278 /nfs/dbraw/zinc/83/02/78/441830278.db2.gz FGPLVXKOMITMQX-UHFFFAOYSA-N 1 0 348.447 1.527 20 5 EDBDRO Cc1c(CC(=O)N(C)CCCN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000122117159 441835498 /nfs/dbraw/zinc/83/54/98/441835498.db2.gz BDQLAMQHMGDQLL-UHFFFAOYSA-N 1 0 348.447 1.542 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2(C[NH3+])CCCC2)c1C ZINC000124057745 441907164 /nfs/dbraw/zinc/90/71/64/441907164.db2.gz GOFIGISMHXDROZ-UHFFFAOYSA-N 1 0 327.406 1.761 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000069129373 441895918 /nfs/dbraw/zinc/89/59/18/441895918.db2.gz WSNCAOAHVGSVKA-SNVBAGLBSA-N 1 0 343.405 1.364 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000175075793 442001365 /nfs/dbraw/zinc/00/13/65/442001365.db2.gz LWSMQYXCWUMYTG-HIFRSBDPSA-N 1 0 341.433 1.887 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000125113345 441986105 /nfs/dbraw/zinc/98/61/05/441986105.db2.gz ACKQVNOHJRJQKX-NEPJUHHUSA-N 1 0 327.406 1.760 20 5 EDBDRO O=C(NC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000176200820 442189937 /nfs/dbraw/zinc/18/99/37/442189937.db2.gz MSYCQIVQNAGKOE-UHFFFAOYSA-N 1 0 343.387 1.686 20 5 EDBDRO CNC(=O)[C@H](C)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000176389585 442217144 /nfs/dbraw/zinc/21/71/44/442217144.db2.gz SPXRFNFEEFYNCZ-GFCCVEGCSA-N 1 0 336.392 1.546 20 5 EDBDRO Cc1ccc(NCCCNC(=O)N(C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000176392970 442217576 /nfs/dbraw/zinc/21/75/76/442217576.db2.gz BMFMHDQSFZICEQ-UHFFFAOYSA-N 1 0 337.424 1.908 20 5 EDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000176855896 442263870 /nfs/dbraw/zinc/26/38/70/442263870.db2.gz UHQCYJZQQAKHKM-CYBMUJFWSA-N 1 0 338.408 1.480 20 5 EDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000176901244 442270182 /nfs/dbraw/zinc/27/01/82/442270182.db2.gz JINKZDUGLMSYPW-GFCCVEGCSA-N 1 0 349.391 1.558 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)ccc1[N+](=O)[O-] ZINC000176975083 442279736 /nfs/dbraw/zinc/27/97/36/442279736.db2.gz OJRMTHFIMIDSEL-UHFFFAOYSA-N 1 0 348.384 1.943 20 5 EDBDRO Cc1nn(CCC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000177073446 442294144 /nfs/dbraw/zinc/29/41/44/442294144.db2.gz CGYPAUXXISUWSU-MFKMUULPSA-N 1 0 335.408 1.540 20 5 EDBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000171014089 442299157 /nfs/dbraw/zinc/29/91/57/442299157.db2.gz RZWZIFZSSQBUNB-UHFFFAOYSA-N 1 0 345.403 1.902 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177422474 442339556 /nfs/dbraw/zinc/33/95/56/442339556.db2.gz WUFQJWBEGBZXBC-UHFFFAOYSA-N 1 0 348.403 1.280 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000133802858 442435040 /nfs/dbraw/zinc/43/50/40/442435040.db2.gz SNHPFDOVQOTLER-CYBMUJFWSA-N 1 0 336.392 1.265 20 5 EDBDRO Cc1c(NC(=O)CC[N@H+](CC(N)=O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000133939422 442441493 /nfs/dbraw/zinc/44/14/93/442441493.db2.gz LVJVYCXJRFQBJL-UHFFFAOYSA-N 1 0 336.392 1.818 20 5 EDBDRO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000178681134 442455586 /nfs/dbraw/zinc/45/55/86/442455586.db2.gz FEVSSSREBGQPHO-SWLSCSKDSA-N 1 0 348.403 1.361 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000178951920 442536807 /nfs/dbraw/zinc/53/68/07/442536807.db2.gz NMSIWTOACVOAGR-CQSZACIVSA-N 1 0 341.433 1.493 20 5 EDBDRO Cn1cc(C(=O)N2CC([NH+](C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000134933996 442538371 /nfs/dbraw/zinc/53/83/71/442538371.db2.gz PQQAOPYWVMBUFQ-UHFFFAOYSA-N 1 0 329.360 1.381 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000191863375 442526618 /nfs/dbraw/zinc/52/66/18/442526618.db2.gz POQKEMWCZBGMNV-TZMCWYRMSA-N 1 0 347.419 1.900 20 5 EDBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000178931247 442529226 /nfs/dbraw/zinc/52/92/26/442529226.db2.gz JSORDPADYJCIPI-NSHDSACASA-N 1 0 343.405 1.366 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCN1CC[NH+](C)CC1 ZINC000180358115 442586078 /nfs/dbraw/zinc/58/60/78/442586078.db2.gz IVGXHNJDIYCFIL-UHFFFAOYSA-N 1 0 334.420 1.497 20 5 EDBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180476241 442607425 /nfs/dbraw/zinc/60/74/25/442607425.db2.gz ASQANUIGCCBMEA-LLVKDONJSA-N 1 0 335.360 1.928 20 5 EDBDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157859747 442620978 /nfs/dbraw/zinc/62/09/78/442620978.db2.gz XQEGCIAZSBLSOM-KGLIPLIRSA-N 1 0 337.424 1.808 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000192851228 442692398 /nfs/dbraw/zinc/69/23/98/442692398.db2.gz LEZDFXNFOAOZNB-CQSZACIVSA-N 1 0 327.406 1.499 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000192566558 442663978 /nfs/dbraw/zinc/66/39/78/442663978.db2.gz MGUCSXLOOFEVIU-UHFFFAOYSA-N 1 0 346.391 1.850 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](CN2CCOCC2)c2ccccc2)c1 ZINC000182117736 442737638 /nfs/dbraw/zinc/73/76/38/442737638.db2.gz AGSCIKGIYCXQEG-QGZVFWFLSA-N 1 0 345.403 1.454 20 5 EDBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@@H+]1C ZINC000182146429 442740001 /nfs/dbraw/zinc/74/00/01/442740001.db2.gz YKEDJJDJWDVHJL-PWSUYJOCSA-N 1 0 335.360 1.878 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000181698078 442710742 /nfs/dbraw/zinc/71/07/42/442710742.db2.gz ALMHKKIPOTWWQM-GJZGRUSLSA-N 1 0 335.404 1.505 20 5 EDBDRO C[C@@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000181707511 442711526 /nfs/dbraw/zinc/71/15/26/442711526.db2.gz XNLCWZZYFUEPSC-GFCCVEGCSA-N 1 0 328.390 1.479 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246709306 442806383 /nfs/dbraw/zinc/80/63/83/442806383.db2.gz ZVXBMFBVFMSVFD-OCCSQVGLSA-N 1 0 341.433 1.864 20 5 EDBDRO COc1ccc(CNC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268143701 442867204 /nfs/dbraw/zinc/86/72/04/442867204.db2.gz RTFCLHRKHSVHNL-RISCZKNCSA-N 1 0 348.403 1.885 20 5 EDBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000183147474 442889497 /nfs/dbraw/zinc/88/94/97/442889497.db2.gz VJGCNBCLTOZFQS-FZMZJTMJSA-N 1 0 328.390 1.526 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000248590528 442903763 /nfs/dbraw/zinc/90/37/63/442903763.db2.gz GZZJAJHFNLBTOT-KWCYVHTRSA-N 1 0 325.390 1.094 20 5 EDBDRO COc1cc(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000268299893 442938005 /nfs/dbraw/zinc/93/80/05/442938005.db2.gz XXHRNGYNJUIAHZ-MFKMUULPSA-N 1 0 343.405 1.174 20 5 EDBDRO COc1cc(C(=O)NCC(C)(C)C[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000266046869 442998963 /nfs/dbraw/zinc/99/89/63/442998963.db2.gz FDIDAWLJSPRIDA-UHFFFAOYSA-N 1 0 339.392 1.930 20 5 EDBDRO COc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000265940848 442977070 /nfs/dbraw/zinc/97/70/70/442977070.db2.gz JEDUDDQLRGGGGA-AAEUAGOBSA-N 1 0 349.387 1.921 20 5 EDBDRO CC[C@@]1(CO)CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000189673692 442992784 /nfs/dbraw/zinc/99/27/84/442992784.db2.gz VNLJLMOWTAHNIJ-KRWDZBQOSA-N 1 0 333.388 1.721 20 5 EDBDRO COC(=O)c1cc(NC[C@H]2C[N@H+](C)CCN2C)cc(C)c1[N+](=O)[O-] ZINC000268492272 443008413 /nfs/dbraw/zinc/00/84/13/443008413.db2.gz OURBHPAMATXEHI-ZDUSSCGKSA-N 1 0 336.392 1.348 20 5 EDBDRO CCO[C@@H]1C[C@](CO)([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000190009012 443047261 /nfs/dbraw/zinc/04/72/61/443047261.db2.gz KAPUFVKAQJBSBL-ZMSDIMECSA-N 1 0 338.404 1.784 20 5 EDBDRO CC[NH+]1CCN([C@H]2CCN(c3cc(OC)ccc3[N+](=O)[O-])C2)CC1 ZINC000266326275 443097978 /nfs/dbraw/zinc/09/79/78/443097978.db2.gz GHJLELCORRNJJS-AWEZNQCLSA-N 1 0 334.420 1.820 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000253357301 443050253 /nfs/dbraw/zinc/05/02/53/443050253.db2.gz YPMRIMUIAYGYND-GXFFZTMASA-N 1 0 341.433 1.960 20 5 EDBDRO CCS(=O)(=O)N1CC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000190283067 443081349 /nfs/dbraw/zinc/08/13/49/443081349.db2.gz KCIZLADOSDVIPO-UHFFFAOYSA-N 1 0 347.824 1.619 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]12 ZINC000185131664 443144573 /nfs/dbraw/zinc/14/45/73/443144573.db2.gz VMFWZFDNVWYHFA-KCPJHIHWSA-N 1 0 341.371 1.590 20 5 EDBDRO C[NH2+]CC1CCN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000237359683 443169941 /nfs/dbraw/zinc/16/99/41/443169941.db2.gz JQFSLYAYPPENBC-UHFFFAOYSA-N 1 0 327.406 1.523 20 5 EDBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000269062413 443186741 /nfs/dbraw/zinc/18/67/41/443186741.db2.gz VEOJSYXXUNLCFV-CYBMUJFWSA-N 1 0 336.396 1.061 20 5 EDBDRO C[C@H](O)CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C)CO ZINC000190894347 443205802 /nfs/dbraw/zinc/20/58/02/443205802.db2.gz IHYNSIHHHLKFTK-QWRGUYRKSA-N 1 0 336.348 1.208 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)n1 ZINC000245891766 443254554 /nfs/dbraw/zinc/25/45/54/443254554.db2.gz OQKBLWPAPJTITH-STQMWFEESA-N 1 0 326.422 1.778 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000415692185 319364223 /nfs/dbraw/zinc/36/42/23/319364223.db2.gz OHHHKHPVVVODDL-INIZCTEOSA-N 1 0 334.376 1.293 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000246059333 443264392 /nfs/dbraw/zinc/26/43/92/443264392.db2.gz YFTYEFCEUWJUHM-OCCSQVGLSA-N 1 0 329.360 1.504 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000264580411 443334601 /nfs/dbraw/zinc/33/46/01/443334601.db2.gz JLGMVGDABNULBV-IAGOWNOFSA-N 1 0 349.431 1.895 20 5 EDBDRO Cc1c(CC(=O)NC[C@@]2([NH+](C)C)CCSC2)cccc1[N+](=O)[O-] ZINC000269638171 443374276 /nfs/dbraw/zinc/37/42/76/443374276.db2.gz WSKIFRFHPCWCEN-INIZCTEOSA-N 1 0 337.445 1.999 20 5 EDBDRO CCCc1n[nH]c(C(=O)NC[C@]2([NH+](C)C)CCSC2)c1[N+](=O)[O-] ZINC000267115308 443347219 /nfs/dbraw/zinc/34/72/19/443347219.db2.gz OGEAUJKWNKPZRV-CQSZACIVSA-N 1 0 341.437 1.438 20 5 EDBDRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000419121602 319557768 /nfs/dbraw/zinc/55/77/68/319557768.db2.gz AWZUJMGHLOMNRT-GFCCVEGCSA-N 1 0 348.403 1.230 20 5 EDBDRO C[C@H]1CN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1[NH+](C)C ZINC000278692369 443403729 /nfs/dbraw/zinc/40/37/29/443403729.db2.gz MZSKKUZTZIQRGK-IINYFYTJSA-N 1 0 346.391 1.563 20 5 EDBDRO COc1cc(OCC(=O)N[C@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000264960818 443492266 /nfs/dbraw/zinc/49/22/66/443492266.db2.gz ZRJHHKCVGIMIPI-LLVKDONJSA-N 1 0 325.365 1.439 20 5 EDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000267576103 443502349 /nfs/dbraw/zinc/50/23/49/443502349.db2.gz YEZPXNFQQOQYGJ-IAQYHMDHSA-N 1 0 336.348 1.660 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[NH+](C3CCC3)CC2)c1 ZINC000265056779 443520280 /nfs/dbraw/zinc/52/02/80/443520280.db2.gz XUUFRDKMAURIEX-MRXNPFEDSA-N 1 0 335.404 1.505 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272264348 443573030 /nfs/dbraw/zinc/57/30/30/443573030.db2.gz BARKGLHAKFUWIK-RNCFNFMXSA-N 1 0 347.400 1.766 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272267052 443574312 /nfs/dbraw/zinc/57/43/12/443574312.db2.gz BUKFHNGXPKMADH-IUODEOHRSA-N 1 0 339.417 1.618 20 5 EDBDRO CCCCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000283160044 443544224 /nfs/dbraw/zinc/54/42/24/443544224.db2.gz CWNVZXOKWNCSQP-UHFFFAOYSA-N 1 0 336.392 1.901 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000452123651 320243738 /nfs/dbraw/zinc/24/37/38/320243738.db2.gz VMMLGFWPMJKOGU-INIZCTEOSA-N 1 0 334.420 1.972 20 5 EDBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCN1CC[NH+](C)CC1 ZINC000276486493 443722523 /nfs/dbraw/zinc/72/25/23/443722523.db2.gz FUMHRBVUILNVIK-UHFFFAOYSA-N 1 0 340.811 1.534 20 5 EDBDRO COc1ccc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000283825839 443733406 /nfs/dbraw/zinc/73/34/06/443733406.db2.gz DPGPNMVHVIYEOV-IUODEOHRSA-N 1 0 326.393 1.851 20 5 EDBDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000288176025 443794219 /nfs/dbraw/zinc/79/42/19/443794219.db2.gz DQSSRFPUVZOUGH-LLVKDONJSA-N 1 0 325.340 1.311 20 5 EDBDRO Cn1cncc1CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000292069594 443775962 /nfs/dbraw/zinc/77/59/62/443775962.db2.gz SQCFYRBHILRUQW-UHFFFAOYSA-N 1 0 344.375 1.360 20 5 EDBDRO CCCc1n[nH]c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000288265203 443825334 /nfs/dbraw/zinc/82/53/34/443825334.db2.gz GSDRHPNRVHOEBJ-VXGBXAGGSA-N 1 0 335.408 1.969 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000285114996 443861307 /nfs/dbraw/zinc/86/13/07/443861307.db2.gz RDWZILLGDRBVMS-YPMHNXCESA-N 1 0 334.376 1.615 20 5 EDBDRO CC[NH+]1CCC(Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000298765196 443861839 /nfs/dbraw/zinc/86/18/39/443861839.db2.gz BYLAECKFFPKEQC-UHFFFAOYSA-N 1 0 328.394 1.138 20 5 EDBDRO CC(C)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(CO)CCC1 ZINC000293165117 443940766 /nfs/dbraw/zinc/94/07/66/443940766.db2.gz VCBAUFBZYZJGMF-OAHLLOKOSA-N 1 0 335.404 1.971 20 5 EDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2N)[N@H+](C)C1 ZINC000285334555 443945346 /nfs/dbraw/zinc/94/53/46/443945346.db2.gz VUEWSKJNFFUKAG-QWRGUYRKSA-N 1 0 340.355 1.107 20 5 EDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000539921475 320755713 /nfs/dbraw/zinc/75/57/13/320755713.db2.gz BYRPKFYDSUMOGS-GFCCVEGCSA-N 1 0 327.356 1.557 20 5 EDBDRO O=C(C[N@H+]1CCC[C@H](CO)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000293048854 443912452 /nfs/dbraw/zinc/91/24/52/443912452.db2.gz HQEOJHBAJQBGGK-ZDUSSCGKSA-N 1 0 333.388 1.578 20 5 EDBDRO CC[NH+](CC)CCOCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000541753540 320776228 /nfs/dbraw/zinc/77/62/28/320776228.db2.gz PLZATCDVXKVTRU-UHFFFAOYSA-N 1 0 342.371 1.404 20 5 EDBDRO Cn1cc(C(C)(C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000546705629 320816052 /nfs/dbraw/zinc/81/60/52/320816052.db2.gz ZYSUKDKZQNWTQK-UHFFFAOYSA-N 1 0 343.387 1.742 20 5 EDBDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000548089594 320860267 /nfs/dbraw/zinc/86/02/67/320860267.db2.gz VNBXSRQAPAGYLU-UHFFFAOYSA-N 1 0 345.359 1.527 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000299248297 443995674 /nfs/dbraw/zinc/99/56/74/443995674.db2.gz KOVWFSLZEAXPKE-ZDUSSCGKSA-N 1 0 348.403 1.642 20 5 EDBDRO COCCOCCN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000289090940 444051048 /nfs/dbraw/zinc/05/10/48/444051048.db2.gz UMSVBTQRYRTFKH-LBPRGKRZSA-N 1 0 325.365 1.517 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000299305634 444012104 /nfs/dbraw/zinc/01/21/04/444012104.db2.gz DEJSNTOXMOTWOW-ZDUSSCGKSA-N 1 0 334.420 1.517 20 5 EDBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293467100 444025614 /nfs/dbraw/zinc/02/56/14/444025614.db2.gz QJNNWOXPFDAKCT-JSGCOSHPSA-N 1 0 330.388 1.993 20 5 EDBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000282106020 444087171 /nfs/dbraw/zinc/08/71/71/444087171.db2.gz ZVOPABVRXTZAMF-GFCCVEGCSA-N 1 0 344.375 1.377 20 5 EDBDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000562986420 321084807 /nfs/dbraw/zinc/08/48/07/321084807.db2.gz YJSCAWPTYPUWOK-GFCCVEGCSA-N 1 0 341.433 1.441 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285727231 444086444 /nfs/dbraw/zinc/08/64/44/444086444.db2.gz XHUJKXUQQDBFSH-CYBMUJFWSA-N 1 0 349.309 1.536 20 5 EDBDRO CCOc1ccccc1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000566110757 321216334 /nfs/dbraw/zinc/21/63/34/321216334.db2.gz PWEWHLGUZRTMCH-OAHLLOKOSA-N 1 0 334.376 1.383 20 5 EDBDRO CO[C@@H]1COCC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566122820 321218370 /nfs/dbraw/zinc/21/83/70/321218370.db2.gz ZMLZSJDPCLJABJ-SWLSCSKDSA-N 1 0 337.376 1.565 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCCc3c(F)cccc32)c1 ZINC000567696146 321253628 /nfs/dbraw/zinc/25/36/28/321253628.db2.gz RXJOYIOYQHCKQR-LRDDRELGSA-N 1 0 334.351 1.959 20 5 EDBDRO O=C(C[NH2+]C[C@H]1CCCO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000567981225 321270804 /nfs/dbraw/zinc/27/08/04/321270804.db2.gz BBEFHTOTUNZAPJ-MRXNPFEDSA-N 1 0 333.388 1.854 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC[C@H]2CCc3ccccc32)c1 ZINC000568873064 321309433 /nfs/dbraw/zinc/30/94/33/321309433.db2.gz JOSDIXSNIJMRLH-ZBFHGGJFSA-N 1 0 330.388 1.862 20 5 EDBDRO COCC[C@]1([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000569186544 321320541 /nfs/dbraw/zinc/32/05/41/321320541.db2.gz GBPRUGRXCXKDQJ-HOCLYGCPSA-N 1 0 340.376 1.120 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(F)(c3ccccn3)CC2)c1 ZINC000289334783 444110410 /nfs/dbraw/zinc/11/04/10/444110410.db2.gz LFYRJZMFYIUQJH-CQSZACIVSA-N 1 0 349.366 1.508 20 5 EDBDRO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000282273216 444133332 /nfs/dbraw/zinc/13/33/32/444133332.db2.gz HSBZLCSBXBUPFW-GZMMTYOYSA-N 1 0 340.767 1.443 20 5 EDBDRO O=C(CCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000294684960 444136563 /nfs/dbraw/zinc/13/65/63/444136563.db2.gz SCJHJBSXYKHCRW-OAHLLOKOSA-N 1 0 331.372 1.864 20 5 EDBDRO O=C(C[NH2+][C@@H](CO)C1CCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000289423811 444139608 /nfs/dbraw/zinc/13/96/08/444139608.db2.gz CJGPBOKPABRPOU-HNNXBMFYSA-N 1 0 333.388 1.625 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)c2nc3ccccn3c(=O)c2[N+](=O)[O-])[C@H](C)C1 ZINC000301452928 444172022 /nfs/dbraw/zinc/17/20/22/444172022.db2.gz XZDSBZFFJKQGSN-OLZOCXBDSA-N 1 0 345.403 1.769 20 5 EDBDRO CC[NH+]1CCN([C@H](C)CNc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301851585 444193820 /nfs/dbraw/zinc/19/38/20/444193820.db2.gz XCECVLWWJBFROG-GFCCVEGCSA-N 1 0 333.396 1.075 20 5 EDBDRO Cc1nc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000301964297 444198713 /nfs/dbraw/zinc/19/87/13/444198713.db2.gz NRFWSXAWXFFVAF-CQSZACIVSA-N 1 0 333.392 1.217 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000576627467 321582374 /nfs/dbraw/zinc/58/23/74/321582374.db2.gz SHKIXZZSNFWIDC-QGZVFWFLSA-N 1 0 347.371 1.582 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000324013508 444349078 /nfs/dbraw/zinc/34/90/78/444349078.db2.gz OMCRJDWSTGPIPL-BETUJISGSA-N 1 0 339.417 1.523 20 5 EDBDRO CN(C)C(=O)CN1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000324817344 444358941 /nfs/dbraw/zinc/35/89/41/444358941.db2.gz WSHVSWVZRCRACW-UHFFFAOYSA-N 1 0 334.420 1.280 20 5 EDBDRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000331036712 444368859 /nfs/dbraw/zinc/36/88/59/444368859.db2.gz NTTFYOFVYVJAKU-LBPRGKRZSA-N 1 0 327.406 1.746 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000320615312 444331212 /nfs/dbraw/zinc/33/12/12/444331212.db2.gz YVDMGNYVKQIWNS-SFYZADRCSA-N 1 0 335.813 1.961 20 5 EDBDRO CCC[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC ZINC000578741306 321822464 /nfs/dbraw/zinc/82/24/64/321822464.db2.gz PYGZANIPHIIPRF-CYBMUJFWSA-N 1 0 330.406 1.773 20 5 EDBDRO CC(C)(C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000331396505 444469852 /nfs/dbraw/zinc/46/98/52/444469852.db2.gz GIZDXDISKUGZEB-AWEZNQCLSA-N 1 0 349.435 1.861 20 5 EDBDRO COc1cccc([C@@H]2C[C@H]2[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000580064915 322003411 /nfs/dbraw/zinc/00/34/11/322003411.db2.gz XNSDRXCSGPEDLL-VNQPRFMTSA-N 1 0 332.360 1.307 20 5 EDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[NH2+]CCCO2)c1 ZINC000581488009 322183533 /nfs/dbraw/zinc/18/35/33/322183533.db2.gz FJTMVINEKHZZGC-SNVBAGLBSA-N 1 0 325.390 1.425 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000581688407 322209346 /nfs/dbraw/zinc/20/93/46/322209346.db2.gz ZYXAQPPISHIZRI-GOSISDBHSA-N 1 0 347.415 1.707 20 5 EDBDRO Cc1c(C[NH+]2CCC([C@@H](O)C(=O)NC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000581862040 322224782 /nfs/dbraw/zinc/22/47/82/322224782.db2.gz KNJZYLOKQRALGC-QGZVFWFLSA-N 1 0 347.415 1.755 20 5 EDBDRO Cn1cc([C@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000342142280 444530566 /nfs/dbraw/zinc/53/05/66/444530566.db2.gz ZSQOJCBNWBEUMU-OAHLLOKOSA-N 1 0 331.376 1.717 20 5 EDBDRO CC(C)[N@H+](C)CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000338187685 444555579 /nfs/dbraw/zinc/55/55/79/444555579.db2.gz JUDYBKVNHOBLAT-UHFFFAOYSA-N 1 0 343.405 1.068 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343827843 444614171 /nfs/dbraw/zinc/61/41/71/444614171.db2.gz LWVOMPSPGQUQTF-VGPLMAKISA-N 1 0 347.371 1.034 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000340995781 444621187 /nfs/dbraw/zinc/62/11/87/444621187.db2.gz RYEQRMWQJADIRC-TZMCWYRMSA-N 1 0 335.408 1.789 20 5 EDBDRO Cn1cc(C(=O)NCC2([NH3+])CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000342593658 444763928 /nfs/dbraw/zinc/76/39/28/444763928.db2.gz ACVMTVWYTIHVGE-UHFFFAOYSA-N 1 0 329.360 1.607 20 5 EDBDRO C[NH+](C)CCn1ccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])n1 ZINC000344081845 444771350 /nfs/dbraw/zinc/77/13/50/444771350.db2.gz VWRYCZQLDBNNFI-UHFFFAOYSA-N 1 0 346.391 1.717 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000336862755 444808262 /nfs/dbraw/zinc/80/82/62/444808262.db2.gz GWZOAYRPHIJSMP-SNVBAGLBSA-N 1 0 331.369 1.449 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000344435494 444968896 /nfs/dbraw/zinc/96/88/96/444968896.db2.gz WLYAMNRZXPCMOT-WCQYABFASA-N 1 0 334.376 1.441 20 5 EDBDRO O=C(CC[N@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)Nc1ccccc1[N+](=O)[O-] ZINC000337250481 445003984 /nfs/dbraw/zinc/00/39/84/445003984.db2.gz MTMVNFZXYJJFKX-NEPJUHHUSA-N 1 0 332.360 1.276 20 5 EDBDRO COCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000337460104 445090263 /nfs/dbraw/zinc/09/02/63/445090263.db2.gz JVZFAJNILJTMDQ-ZDUSSCGKSA-N 1 0 337.376 1.661 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCCC[C@@H]2CCO)c1 ZINC000342056049 445147553 /nfs/dbraw/zinc/14/75/53/445147553.db2.gz GSPOJCFMCFZTKE-GDBMZVCRSA-N 1 0 338.404 1.962 20 5 EDBDRO C[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H](C)[NH+]1C ZINC000339621475 445153752 /nfs/dbraw/zinc/15/37/52/445153752.db2.gz IAECLCKWJCZBDD-IOASZLSFSA-N 1 0 332.404 1.725 20 5 EDBDRO Cc1sc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000343528590 445239000 /nfs/dbraw/zinc/23/90/00/445239000.db2.gz ALUGBYLIMDEBFQ-WDEREUQCSA-N 1 0 345.446 1.870 20 5 EDBDRO CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000343559419 445244010 /nfs/dbraw/zinc/24/40/10/445244010.db2.gz UNAZQXIOJFVEAD-GJZGRUSLSA-N 1 0 335.404 1.503 20 5 EDBDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000348527162 445314799 /nfs/dbraw/zinc/31/47/99/445314799.db2.gz HWGAOOZXKRLWAQ-PWSUYJOCSA-N 1 0 345.359 1.731 20 5 EDBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000348142373 445287646 /nfs/dbraw/zinc/28/76/46/445287646.db2.gz NFPOPKJTAOXMKA-CHWSQXEVSA-N 1 0 342.417 1.773 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357077310 445410688 /nfs/dbraw/zinc/41/06/88/445410688.db2.gz ARPYMJWFPIRGNM-OLZOCXBDSA-N 1 0 346.387 1.434 20 5 EDBDRO COc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000352017336 445441716 /nfs/dbraw/zinc/44/17/16/445441716.db2.gz FYTODABWIPQUFN-DZGCQCFKSA-N 1 0 335.404 1.898 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000359987136 445516212 /nfs/dbraw/zinc/51/62/12/445516212.db2.gz UHICKYQTIWUSEF-CHWSQXEVSA-N 1 0 339.417 1.570 20 5 EDBDRO COC[C@@]1(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000357268852 445517632 /nfs/dbraw/zinc/51/76/32/445517632.db2.gz MKVCBWYMWNPTIJ-HNNXBMFYSA-N 1 0 339.417 1.572 20 5 EDBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000357291276 445529343 /nfs/dbraw/zinc/52/93/43/445529343.db2.gz OKEKWGZMZBYZAB-CYBMUJFWSA-N 1 0 348.403 1.832 20 5 EDBDRO COc1ccc(CN2CCC([N@H+](C)C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000353260449 445583723 /nfs/dbraw/zinc/58/37/23/445583723.db2.gz PWUXSXHNQJWHAR-ZDUSSCGKSA-N 1 0 337.420 1.880 20 5 EDBDRO CCOc1ccc([C@H](C)[NH2+]CCNc2cnccn2)cc1[N+](=O)[O-] ZINC000349245232 445544192 /nfs/dbraw/zinc/54/41/92/445544192.db2.gz HKAQOUWGOKKTNJ-LBPRGKRZSA-N 1 0 331.376 2.546 20 5 EDBDRO CNc1c(C(=O)Nc2ccn(CC[NH+](C)C)n2)cccc1[N+](=O)[O-] ZINC000361160461 445750388 /nfs/dbraw/zinc/75/03/88/445750388.db2.gz YKIFJULLKBOBQN-UHFFFAOYSA-N 1 0 332.364 1.647 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC000361570792 445825032 /nfs/dbraw/zinc/82/50/32/445825032.db2.gz YEHSDOJYCBDGJM-OAHLLOKOSA-N 1 0 344.371 1.405 20 5 EDBDRO O=C(CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000363415451 445795035 /nfs/dbraw/zinc/79/50/35/445795035.db2.gz WNDOQFUYLUZLDP-IJEWVQPXSA-N 1 0 344.415 1.949 20 5 EDBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@H](O)C[C@H]3CO)o2)c([N+](=O)[O-])c1 ZINC000350257249 445802034 /nfs/dbraw/zinc/80/20/34/445802034.db2.gz AOAIDZKYXFJUMU-NWDGAFQWSA-N 1 0 348.355 1.791 20 5 EDBDRO COc1c[nH+]ccc1N1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000361529258 445805563 /nfs/dbraw/zinc/80/55/63/445805563.db2.gz XBGNCLKWAZJRHZ-UHFFFAOYSA-N 1 0 332.364 1.017 20 5 EDBDRO Cc1c(CC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000361702075 445885476 /nfs/dbraw/zinc/88/54/76/445885476.db2.gz UFKVFDDOYWRHEY-LSDHHAIUSA-N 1 0 333.388 1.425 20 5 EDBDRO COCCC[N@@H+]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000363648625 445862997 /nfs/dbraw/zinc/86/29/97/445862997.db2.gz MZIQMKOZNSDAFL-UHFFFAOYSA-N 1 0 327.406 1.841 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(Sc2nnnn2C[C@@H]2CC[N@@H+](C)C2)n1 ZINC000359082871 445932920 /nfs/dbraw/zinc/93/29/20/445932920.db2.gz NIYCFPPWJHCCJW-LLVKDONJSA-N 1 0 349.420 1.696 20 5 EDBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373058915 445999381 /nfs/dbraw/zinc/99/93/81/445999381.db2.gz SRDZJJBROXQWCF-BONVTDFDSA-N 1 0 342.355 1.673 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000373052058 445996147 /nfs/dbraw/zinc/99/61/47/445996147.db2.gz AVJJKKOEMSTEPX-GXTWGEPZSA-N 1 0 325.390 1.108 20 5 EDBDRO CCc1ccc(S(=O)(=O)N(C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000583024018 325982754 /nfs/dbraw/zinc/98/27/54/325982754.db2.gz CLJRLYHKTLEZOX-UHFFFAOYSA-N 1 0 329.422 1.763 20 5 EDBDRO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[N@@H+]1CCCC[C@H]1C ZINC000354270918 446066921 /nfs/dbraw/zinc/06/69/21/446066921.db2.gz CIMHLIJNCBWSGB-OLZOCXBDSA-N 1 0 336.392 1.136 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]12 ZINC000351475847 446077020 /nfs/dbraw/zinc/07/70/20/446077020.db2.gz JPQWWRCPWIBKPA-YUSALJHKSA-N 1 0 338.795 1.856 20 5 EDBDRO CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365306902 446136756 /nfs/dbraw/zinc/13/67/56/446136756.db2.gz MZCXFIQAVYAQHI-UKRRQHHQSA-N 1 0 326.397 1.606 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]12 ZINC000351495955 446099424 /nfs/dbraw/zinc/09/94/24/446099424.db2.gz QIKAGCGYEGCNFV-KWCYVHTRSA-N 1 0 329.360 1.814 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)[C@@H](C)C1 ZINC000356899275 446106710 /nfs/dbraw/zinc/10/67/10/446106710.db2.gz DSGJKJJXFVUKPM-RYUDHWBXSA-N 1 0 346.387 1.603 20 5 EDBDRO Cc1cc(N2CCN3CCOC[C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000369409059 446116494 /nfs/dbraw/zinc/11/64/94/446116494.db2.gz ORPLPOXIMRGCMW-CYBMUJFWSA-N 1 0 328.372 1.972 20 5 EDBDRO CCOc1ccc(NC(=O)CN2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000359288308 446123496 /nfs/dbraw/zinc/12/34/96/446123496.db2.gz PDGLYYDFFXXLKQ-TXEJJXNPSA-N 1 0 334.376 1.083 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C3CCCCCC3)C2)n1 ZINC000362032813 446168387 /nfs/dbraw/zinc/16/83/87/446168387.db2.gz QLSIDHNMNLRSPM-GFCCVEGCSA-N 1 0 335.408 1.855 20 5 EDBDRO COc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000359355454 446170157 /nfs/dbraw/zinc/17/01/57/446170157.db2.gz XBNUFNVQUGGEIO-LBPRGKRZSA-N 1 0 334.376 1.639 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000359472423 446244490 /nfs/dbraw/zinc/24/44/90/446244490.db2.gz LPDCQFJIRKGLLS-GFCCVEGCSA-N 1 0 338.412 1.119 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC000365669815 446293943 /nfs/dbraw/zinc/29/39/43/446293943.db2.gz AOPLGCYGTVUXEU-CVEARBPZSA-N 1 0 348.428 1.942 20 5 EDBDRO Cc1ccc(N2CCC[C@@H]([N@H+](C)CCn3ccc([N+](=O)[O-])n3)C2)nn1 ZINC000376230654 446392304 /nfs/dbraw/zinc/39/23/04/446392304.db2.gz XQWZQRIUEQZJKV-CQSZACIVSA-N 1 0 345.407 1.491 20 5 EDBDRO COC[C@]1(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000420256590 446435420 /nfs/dbraw/zinc/43/54/20/446435420.db2.gz VFZURBOSJNZZMG-QGZVFWFLSA-N 1 0 348.403 1.668 20 5 EDBDRO [NH3+]CCC[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1 ZINC000420271232 446440989 /nfs/dbraw/zinc/44/09/89/446440989.db2.gz HHGJAGYDRFEFHD-CYBMUJFWSA-N 1 0 326.360 2.530 20 5 EDBDRO NS(=O)(=O)c1cc(NC[C@H]2CCC[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000420273050 446443560 /nfs/dbraw/zinc/44/35/60/446443560.db2.gz DVYLQWZJMKOLHF-UWVGGRQHSA-N 1 0 328.394 1.172 20 5 EDBDRO CN1CC[NH2+]C[C@@H]1CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420276014 446445228 /nfs/dbraw/zinc/44/52/28/446445228.db2.gz ONRXYNMVJMJHNI-CYBMUJFWSA-N 1 0 333.417 2.034 20 5 EDBDRO CNS(=O)(=O)c1ccc(NC[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420285973 446450588 /nfs/dbraw/zinc/45/05/88/446450588.db2.gz PYMCEEMFSANBFW-WDEREUQCSA-N 1 0 342.421 1.432 20 5 EDBDRO C[C@H](NC(=O)NCCCN1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000417984248 446408301 /nfs/dbraw/zinc/40/83/01/446408301.db2.gz OTCLGFBQWRNWLU-ZDUSSCGKSA-N 1 0 335.408 1.250 20 5 EDBDRO O=C(NCCC[NH2+]C1CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418296803 446490287 /nfs/dbraw/zinc/49/02/87/446490287.db2.gz GUZBBJMTXAEPDD-UHFFFAOYSA-N 1 0 334.376 1.510 20 5 EDBDRO COCC[NH2+]CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423526990 446563014 /nfs/dbraw/zinc/56/30/14/446563014.db2.gz VNAJQXJWUSMUNB-UHFFFAOYSA-N 1 0 347.824 1.693 20 5 EDBDRO C[C@]1(F)C[NH2+]CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000420344154 446517199 /nfs/dbraw/zinc/51/71/99/446517199.db2.gz SGKMDIDVFOTFQZ-AWEZNQCLSA-N 1 0 344.774 1.820 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420352732 446531714 /nfs/dbraw/zinc/53/17/14/446531714.db2.gz AVMIQFMRCXURST-QGZVFWFLSA-N 1 0 332.404 1.917 20 5 EDBDRO COc1cc(CN(C)[C@@H]2CCCCNC2=O)c([N+](=O)[O-])cc1F ZINC000376505270 446541531 /nfs/dbraw/zinc/54/15/31/446541531.db2.gz KKVGWTWAKGCTDM-GFCCVEGCSA-N 1 0 325.340 1.843 20 5 EDBDRO COc1cc(S(=O)(=O)N(C)C2(C[NH3+])CCC2)ccc1[N+](=O)[O-] ZINC000420438761 446613946 /nfs/dbraw/zinc/61/39/46/446613946.db2.gz FKXHTPBQPIACHF-UHFFFAOYSA-N 1 0 329.378 1.105 20 5 EDBDRO O=C(NC[C@@H]1CC[NH2+]C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418526202 446581456 /nfs/dbraw/zinc/58/14/56/446581456.db2.gz PFSOOYNDTQSCNK-CYBMUJFWSA-N 1 0 333.392 1.036 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420415521 446589263 /nfs/dbraw/zinc/58/92/63/446589263.db2.gz AXIUPFHPIHPFJY-UONOGXRCSA-N 1 0 339.417 1.008 20 5 EDBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420422009 446597632 /nfs/dbraw/zinc/59/76/32/446597632.db2.gz PPQDVCZTZNSLOI-AWEZNQCLSA-N 1 0 341.433 1.541 20 5 EDBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000420424201 446598727 /nfs/dbraw/zinc/59/87/27/446598727.db2.gz PLRYRNVTQMZVFA-KGLIPLIRSA-N 1 0 339.417 1.008 20 5 EDBDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420424562 446598788 /nfs/dbraw/zinc/59/87/88/446598788.db2.gz QETWUIYCOIGOJR-CQSZACIVSA-N 1 0 327.406 1.136 20 5 EDBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000423617154 446608583 /nfs/dbraw/zinc/60/85/83/446608583.db2.gz XAXKELRLAVZALL-CQSZACIVSA-N 1 0 343.387 1.677 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420485307 446652878 /nfs/dbraw/zinc/65/28/78/446652878.db2.gz ZQGKEXUPFGDEGL-NEPJUHHUSA-N 1 0 327.406 1.509 20 5 EDBDRO C[N@@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)[C@H](c2ccccc2)C1 ZINC000375246378 446669268 /nfs/dbraw/zinc/66/92/68/446669268.db2.gz UAFOTUQYHXWENH-GJZGRUSLSA-N 1 0 341.371 1.400 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000420447440 446624253 /nfs/dbraw/zinc/62/42/53/446624253.db2.gz JJBRDQKDOWHEMG-LBPRGKRZSA-N 1 0 327.406 1.578 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CCN(c2nnnn2C)CC1 ZINC000368178922 446689756 /nfs/dbraw/zinc/68/97/56/446689756.db2.gz JIWGWHZFTGOTEU-UHFFFAOYSA-N 1 0 331.380 1.185 20 5 EDBDRO C[C@H](NC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000418786086 446701057 /nfs/dbraw/zinc/70/10/57/446701057.db2.gz RSHOQABESQEWQJ-TYNCELHUSA-N 1 0 348.403 1.358 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c1 ZINC000375473291 446827834 /nfs/dbraw/zinc/82/78/34/446827834.db2.gz QEWXVKQUSGROMH-KZNAEPCWSA-N 1 0 349.431 1.861 20 5 EDBDRO C[C@@H](NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000424098688 446850517 /nfs/dbraw/zinc/85/05/17/446850517.db2.gz LFBJQERXCBYZAF-BXUZGUMPSA-N 1 0 344.375 1.602 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c1F ZINC000412124693 446873142 /nfs/dbraw/zinc/87/31/42/446873142.db2.gz CMRKNLBNKFBEEK-LLVKDONJSA-N 1 0 339.367 1.838 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1F ZINC000412142557 446877774 /nfs/dbraw/zinc/87/77/74/446877774.db2.gz YBQLGVJEDIJWJK-QWRGUYRKSA-N 1 0 339.367 1.884 20 5 EDBDRO CC[C@H](NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000419161137 446978098 /nfs/dbraw/zinc/97/80/98/446978098.db2.gz IHNGGBLLWYGDSX-WFASDCNBSA-N 1 0 348.403 1.278 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000368632853 446993595 /nfs/dbraw/zinc/99/35/95/446993595.db2.gz LZSLUAZUXMDYPN-CYBMUJFWSA-N 1 0 325.390 1.324 20 5 EDBDRO CCOc1cc(CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000375769040 447035609 /nfs/dbraw/zinc/03/56/09/447035609.db2.gz PHNNBXYVCIFDNH-SWLSCSKDSA-N 1 0 340.401 1.612 20 5 EDBDRO Cn1cc([C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)c2ccccc2)cn1 ZINC000372346888 447043434 /nfs/dbraw/zinc/04/34/34/447043434.db2.gz JJNPUWXDQRFLRQ-MRXNPFEDSA-N 1 0 326.360 1.904 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000425215077 447067090 /nfs/dbraw/zinc/06/70/90/447067090.db2.gz LQJKXUMILIVPDA-SWLSCSKDSA-N 1 0 339.417 1.618 20 5 EDBDRO CC[NH+]1CCC(N2CCCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)CC1 ZINC000421245327 447081497 /nfs/dbraw/zinc/08/14/97/447081497.db2.gz XUHOJQVROLNWCW-UHFFFAOYSA-N 1 0 349.435 1.555 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000375830854 447087139 /nfs/dbraw/zinc/08/71/39/447087139.db2.gz LJZIJCMBMWVLNZ-HOCLYGCPSA-N 1 0 332.404 1.873 20 5 EDBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000619267284 450438670 /nfs/dbraw/zinc/43/86/70/450438670.db2.gz WWUJXELFFGAVHK-AWEZNQCLSA-N 1 0 338.408 1.438 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000375923166 447151382 /nfs/dbraw/zinc/15/13/82/447151382.db2.gz SFXOOVCLPGWYLT-GOEBONIOSA-N 1 0 344.346 1.883 20 5 EDBDRO CN(C(=O)[C@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CCc2ccncc2)CC1 ZINC000377481087 447154372 /nfs/dbraw/zinc/15/43/72/447154372.db2.gz GTMHPTVACNGPSH-JKSUJKDBSA-N 1 0 332.404 1.212 20 5 EDBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000425475372 447181032 /nfs/dbraw/zinc/18/10/32/447181032.db2.gz KWJHZKMRTLCZLK-WCQYABFASA-N 1 0 345.193 1.987 20 5 EDBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2Cn2cncn2)c([N+](=O)[O-])c1 ZINC000372637470 447199671 /nfs/dbraw/zinc/19/96/71/447199671.db2.gz BEDNIPWAWRINAM-CYBMUJFWSA-N 1 0 347.375 1.738 20 5 EDBDRO CNc1nc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000455689765 447210225 /nfs/dbraw/zinc/21/02/25/447210225.db2.gz AKUBVBMTCQWPFD-RYUDHWBXSA-N 1 0 333.392 1.730 20 5 EDBDRO CN(C(=O)CN1CC[C@@H](c2nnc[nH]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000425547997 447223204 /nfs/dbraw/zinc/22/32/04/447223204.db2.gz MVOKZFCJFLTTET-LLVKDONJSA-N 1 0 330.348 1.165 20 5 EDBDRO NC(=O)C[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000377603438 447236891 /nfs/dbraw/zinc/23/68/91/447236891.db2.gz FZCKHRHHHHABHG-SNVBAGLBSA-N 1 0 338.339 1.260 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000369053933 447291169 /nfs/dbraw/zinc/29/11/69/447291169.db2.gz JDOXCQDJCCGWLI-GFCCVEGCSA-N 1 0 327.406 1.578 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000447248996 447271041 /nfs/dbraw/zinc/27/10/41/447271041.db2.gz MOJVUGODVSHHOA-ZYHUDNBSSA-N 1 0 327.406 1.515 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000372780936 447282319 /nfs/dbraw/zinc/28/23/19/447282319.db2.gz IQVFGMPLQQIITP-ZBFHGGJFSA-N 1 0 337.351 1.843 20 5 EDBDRO O=C1CC[C@@H](C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCN1 ZINC000450561592 447526165 /nfs/dbraw/zinc/52/61/65/447526165.db2.gz GBOOJXHRAKZGNK-CHWSQXEVSA-N 1 0 333.392 1.392 20 5 EDBDRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415486711 447473697 /nfs/dbraw/zinc/47/36/97/447473697.db2.gz QSDIENBJVMTLNW-SECBINFHSA-N 1 0 326.740 1.136 20 5 EDBDRO C[C@@H](C(=O)NC[C@@](C)(O)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000420021172 447550479 /nfs/dbraw/zinc/55/04/79/447550479.db2.gz UEKPLKCGVRNWRQ-BZNIZROVSA-N 1 0 341.383 1.656 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000450734317 447559974 /nfs/dbraw/zinc/55/99/74/447559974.db2.gz VNXANVHQPQBGFH-DCAQKATOSA-N 1 0 325.365 1.537 20 5 EDBDRO O=C([C@H]1CCCN(c2c(F)cccc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000420146509 447636121 /nfs/dbraw/zinc/63/61/21/447636121.db2.gz AHVXQHXKKOVBCS-LBPRGKRZSA-N 1 0 336.367 1.382 20 5 EDBDRO [NH3+][C@@H]1CCCN(c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)C1 ZINC000420130621 447621786 /nfs/dbraw/zinc/62/17/86/447621786.db2.gz XWIWIJJTGBHDBC-SNVBAGLBSA-N 1 0 349.778 1.722 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CCN(C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000408338344 447652688 /nfs/dbraw/zinc/65/26/88/447652688.db2.gz ZNGMLZNXZBZIDQ-CHWSQXEVSA-N 1 0 341.433 1.925 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420190232 447662996 /nfs/dbraw/zinc/66/29/96/447662996.db2.gz PEOCAWULZJYSJH-HNNXBMFYSA-N 1 0 334.420 1.473 20 5 EDBDRO C[C@@H]1C[C@H](C)N(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000422635127 447681621 /nfs/dbraw/zinc/68/16/21/447681621.db2.gz KXFDQHOUEGUTBJ-RDBSUJKOSA-N 1 0 334.420 1.863 20 5 EDBDRO NC(=O)C1([NH2+]CCn2cc([N+](=O)[O-])cn2)C2CC3CC(C2)CC1C3 ZINC000459773967 447760706 /nfs/dbraw/zinc/76/07/06/447760706.db2.gz KZJBVDITHBZOSI-UHFFFAOYSA-N 1 0 333.392 1.061 20 5 EDBDRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000452093534 447815470 /nfs/dbraw/zinc/81/54/70/447815470.db2.gz XWNBSOJFLSJBSO-UHFFFAOYSA-N 1 0 341.433 1.889 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000422849062 447769003 /nfs/dbraw/zinc/76/90/03/447769003.db2.gz LFVLXGVQAQAAKW-IAQYHMDHSA-N 1 0 348.403 1.219 20 5 EDBDRO CCc1ccc(C(=O)N2CCC([NH2+]CCOC)CC2)cc1[N+](=O)[O-] ZINC000575757305 447891865 /nfs/dbraw/zinc/89/18/65/447891865.db2.gz RRYWVEJGTBSAKM-UHFFFAOYSA-N 1 0 335.404 1.998 20 5 EDBDRO COC(=O)Nc1cccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000496776282 447902986 /nfs/dbraw/zinc/90/29/86/447902986.db2.gz JGNXXGSGYVUUNT-AWEZNQCLSA-N 1 0 349.347 1.120 20 5 EDBDRO C[C@@H](CO)CCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576030140 447953946 /nfs/dbraw/zinc/95/39/46/447953946.db2.gz OXXMLVAWAHWFLL-GFCCVEGCSA-N 1 0 330.406 1.367 20 5 EDBDRO CNc1nccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000552844514 447959568 /nfs/dbraw/zinc/95/95/68/447959568.db2.gz ZKNXACFSNMPKSG-NSHDSACASA-N 1 0 349.416 2.126 20 5 EDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000554576499 448037004 /nfs/dbraw/zinc/03/70/04/448037004.db2.gz UEOYEASHQDAWBV-LLVKDONJSA-N 1 0 335.360 1.532 20 5 EDBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000555345764 448074105 /nfs/dbraw/zinc/07/41/05/448074105.db2.gz WKGFUJMTGNTROU-BETUJISGSA-N 1 0 336.392 1.609 20 5 EDBDRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000571187520 448121168 /nfs/dbraw/zinc/12/11/68/448121168.db2.gz UZUJBKCYVHNXOC-KRWDZBQOSA-N 1 0 344.371 1.263 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000591028679 448239546 /nfs/dbraw/zinc/23/95/46/448239546.db2.gz AQGFLFLQGXFBSJ-RISCZKNCSA-N 1 0 332.360 1.004 20 5 EDBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000572032945 448268499 /nfs/dbraw/zinc/26/84/99/448268499.db2.gz ALEVFCISWQVSCG-SJKOYZFVSA-N 1 0 341.371 2.313 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591292372 448310031 /nfs/dbraw/zinc/31/00/31/448310031.db2.gz UWTUWSVHLOSARF-GFCCVEGCSA-N 1 0 334.376 1.354 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591304997 448316334 /nfs/dbraw/zinc/31/63/34/448316334.db2.gz RPTIEIZMPXMKOQ-RISCZKNCSA-N 1 0 332.360 1.052 20 5 EDBDRO C[C@@H]1CCCC[C@@H]1OCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000572082813 448278677 /nfs/dbraw/zinc/27/86/77/448278677.db2.gz GTADXMDPUOFENE-YUELXQCFSA-N 1 0 326.397 1.337 20 5 EDBDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000591263794 448301177 /nfs/dbraw/zinc/30/11/77/448301177.db2.gz TVDOUMRARCMJPF-NSHDSACASA-N 1 0 335.360 1.276 20 5 EDBDRO O=C(N[C@H]1CCC[NH2+]CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000591360468 448344313 /nfs/dbraw/zinc/34/43/13/448344313.db2.gz ZDTKZLQRZOERCS-AWEZNQCLSA-N 1 0 347.419 1.569 20 5 EDBDRO C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](C)C[N@@H+]1CCO ZINC000591370588 448347517 /nfs/dbraw/zinc/34/75/17/448347517.db2.gz IHSOOSJKWPWKPF-NEPJUHHUSA-N 1 0 331.376 1.429 20 5 EDBDRO CC[C@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000591415931 448355525 /nfs/dbraw/zinc/35/55/25/448355525.db2.gz XHMXDTKMMAMKME-GXTWGEPZSA-N 1 0 348.403 1.105 20 5 EDBDRO C[C@@H]1CCC[C@](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])([NH+](C)C)C1 ZINC000565180720 448358643 /nfs/dbraw/zinc/35/86/43/448358643.db2.gz MWJCRRLIIOAZCR-BZNIZROVSA-N 1 0 335.408 1.812 20 5 EDBDRO C[C@@]1(F)C[NH2+]CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000591442130 448364075 /nfs/dbraw/zinc/36/40/75/448364075.db2.gz DPFHVSJPBDLOED-LLVKDONJSA-N 1 0 333.161 1.890 20 5 EDBDRO CCOc1ccc(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000572421964 448374200 /nfs/dbraw/zinc/37/42/00/448374200.db2.gz ORWGGQSJTFKTRK-QGZVFWFLSA-N 1 0 349.387 1.180 20 5 EDBDRO Cc1ccc(O[C@H](C)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000591744634 448479832 /nfs/dbraw/zinc/47/98/32/448479832.db2.gz RFGUQPAYAXVAAS-UKRRQHHQSA-N 1 0 334.376 1.518 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000516971039 448513517 /nfs/dbraw/zinc/51/35/17/448513517.db2.gz SJJPKYRKUMVWNE-ZDUSSCGKSA-N 1 0 348.403 1.221 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000537941066 448575666 /nfs/dbraw/zinc/57/56/66/448575666.db2.gz GYJJIQOYYSHRTB-OLZOCXBDSA-N 1 0 341.433 1.835 20 5 EDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000591983892 448610320 /nfs/dbraw/zinc/61/03/20/448610320.db2.gz BLOFLDXKURWWOR-LBPRGKRZSA-N 1 0 347.419 1.425 20 5 EDBDRO CC(C)CN1CCCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000578641169 448600459 /nfs/dbraw/zinc/60/04/59/448600459.db2.gz OXLKATSHXDZDJY-GDBMZVCRSA-N 1 0 339.440 1.252 20 5 EDBDRO COc1cc(C(=O)N[C@@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000567501342 448704642 /nfs/dbraw/zinc/70/46/42/448704642.db2.gz OCVFOUVOFSIFTJ-BQBZGAKWSA-N 1 0 333.291 1.670 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000592250702 448762833 /nfs/dbraw/zinc/76/28/33/448762833.db2.gz VJUWJDZIUIFMRO-GFCCVEGCSA-N 1 0 349.391 1.487 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592254625 448763852 /nfs/dbraw/zinc/76/38/52/448763852.db2.gz JBWHFJOTUXXFDI-ZIAGYGMSSA-N 1 0 335.408 1.420 20 5 EDBDRO C[NH+]1CCC2(CC1)CN(Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CCO2 ZINC000592185159 448726882 /nfs/dbraw/zinc/72/68/82/448726882.db2.gz UXOIVXOLYXJXEE-UHFFFAOYSA-N 1 0 345.403 1.768 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCCc2ccccn2)cc1 ZINC000579228332 448745331 /nfs/dbraw/zinc/74/53/31/448745331.db2.gz IXSPWGQUPSSRSL-UHFFFAOYSA-N 1 0 349.412 1.986 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000592366086 448806905 /nfs/dbraw/zinc/80/69/05/448806905.db2.gz XCXBQZCNRKGEOI-MNOVXSKESA-N 1 0 343.405 1.494 20 5 EDBDRO [NH3+]CCC1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000568057083 448809822 /nfs/dbraw/zinc/80/98/22/448809822.db2.gz PEHMJJWIMFIHIN-UHFFFAOYSA-N 1 0 327.406 1.485 20 5 EDBDRO COc1cc(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)c([N+](=O)[O-])cc1O ZINC000592374986 448810068 /nfs/dbraw/zinc/81/00/68/448810068.db2.gz OSWYWADARYAXDE-INIZCTEOSA-N 1 0 340.376 1.576 20 5 EDBDRO COc1cc(C[NH2+]CCCc2ncn(C)n2)c([N+](=O)[O-])cc1OC ZINC000592373269 448810253 /nfs/dbraw/zinc/81/02/53/448810253.db2.gz MTDSBUYHUURMMQ-UHFFFAOYSA-N 1 0 335.364 1.463 20 5 EDBDRO C[C@H](CCN(C)C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000519502041 448773663 /nfs/dbraw/zinc/77/36/63/448773663.db2.gz KNMMJRSENALQSC-GFCCVEGCSA-N 1 0 329.422 1.298 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@@H]([NH3+])[C@@H](CC)C2)cc([N+](=O)[O-])c1 ZINC000592331742 448794434 /nfs/dbraw/zinc/79/44/34/448794434.db2.gz PDQMZHHNPGABDJ-XHDPSFHLSA-N 1 0 349.387 1.971 20 5 EDBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1C[NH3+] ZINC000519598042 448795547 /nfs/dbraw/zinc/79/55/47/448795547.db2.gz ZMZBKSLAEWAFHW-GMTAPVOTSA-N 1 0 335.360 1.769 20 5 EDBDRO CC[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1[NH3+] ZINC000592332614 448795489 /nfs/dbraw/zinc/79/54/89/448795489.db2.gz OMCNUORGEVNOCK-SWLSCSKDSA-N 1 0 343.387 1.980 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@H]2CC23CC[NH2+]CC3)cc([N+](=O)[O-])c1 ZINC000592338164 448797465 /nfs/dbraw/zinc/79/74/65/448797465.db2.gz PURRHLKFMUNECL-ZDUSSCGKSA-N 1 0 333.344 1.253 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000519715786 448826797 /nfs/dbraw/zinc/82/67/97/448826797.db2.gz PUFITBYNBSKHSN-GFCCVEGCSA-N 1 0 341.433 1.729 20 5 EDBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](O)C(F)F ZINC000592432903 448834379 /nfs/dbraw/zinc/83/43/79/448834379.db2.gz YFUGYRXTYAJIAV-ZANVPECISA-N 1 0 331.319 1.918 20 5 EDBDRO CC[C@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000592489660 448859878 /nfs/dbraw/zinc/85/98/78/448859878.db2.gz ZCGUXSHBDJDCEM-SWLSCSKDSA-N 1 0 341.433 1.428 20 5 EDBDRO Cn1c2cc(NCC[N@H+]3CC=CCC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000588038064 448862043 /nfs/dbraw/zinc/86/20/43/448862043.db2.gz RPPJYLNYYAHCJL-UHFFFAOYSA-N 1 0 331.376 1.459 20 5 EDBDRO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000592571268 448905648 /nfs/dbraw/zinc/90/56/48/448905648.db2.gz WPWYPAZWAURFCN-ZDUSSCGKSA-N 1 0 329.360 1.876 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cnn(-c3ccccc3)c2)c1 ZINC000579946932 448917372 /nfs/dbraw/zinc/91/73/72/448917372.db2.gz HNAYHLXUWZHRIQ-INIZCTEOSA-N 1 0 342.359 1.128 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000588814478 448933961 /nfs/dbraw/zinc/93/39/61/448933961.db2.gz NYGUYPOVZCXIDS-HNNXBMFYSA-N 1 0 341.795 1.777 20 5 EDBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588862550 448942219 /nfs/dbraw/zinc/94/22/19/448942219.db2.gz FIILNHYAZNZUCH-TZMCWYRMSA-N 1 0 339.779 1.529 20 5 EDBDRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000588869963 448943587 /nfs/dbraw/zinc/94/35/87/448943587.db2.gz RCECBYOYJWGIQB-NSHDSACASA-N 1 0 327.768 1.435 20 5 EDBDRO CCCN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592833318 449009121 /nfs/dbraw/zinc/00/91/21/449009121.db2.gz YLUXGMSKFRJAJQ-HNNXBMFYSA-N 1 0 348.403 1.267 20 5 EDBDRO C[C@@H](Cc1cnn(C)c1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569450155 449027520 /nfs/dbraw/zinc/02/75/20/449027520.db2.gz VVYKFOGKNXZYCY-JSGCOSHPSA-N 1 0 334.376 1.289 20 5 EDBDRO COC(=O)c1cc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000597858567 449126303 /nfs/dbraw/zinc/12/63/03/449126303.db2.gz NFAGSYLAPMVHGA-CYBMUJFWSA-N 1 0 349.387 1.984 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[C@@H]2C1 ZINC000590012021 449097243 /nfs/dbraw/zinc/09/72/43/449097243.db2.gz OATXZNFWFANRCX-GXTWGEPZSA-N 1 0 329.360 1.781 20 5 EDBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595671337 449112033 /nfs/dbraw/zinc/11/20/33/449112033.db2.gz QNIJZNQHQDMIGI-UNEWFSDZSA-N 1 0 338.404 1.817 20 5 EDBDRO COC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(OC)c1 ZINC000595684248 449118266 /nfs/dbraw/zinc/11/82/66/449118266.db2.gz MSQREMCECTYNBH-MRXNPFEDSA-N 1 0 347.371 1.742 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000590278838 449123116 /nfs/dbraw/zinc/12/31/16/449123116.db2.gz VCVZOURCTHHIOT-OCCSQVGLSA-N 1 0 346.387 1.313 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000593732850 449168445 /nfs/dbraw/zinc/16/84/45/449168445.db2.gz QOHWLSOXJNRZNQ-UHFFFAOYSA-N 1 0 347.824 1.916 20 5 EDBDRO O=C1CC[C@@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1 ZINC000595737278 449139701 /nfs/dbraw/zinc/13/97/01/449139701.db2.gz HSVSRFBOOUFDFP-CJNGLKHVSA-N 1 0 333.388 1.964 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000590399776 449147405 /nfs/dbraw/zinc/14/74/05/449147405.db2.gz LDFWHQIOMJLHKN-UHFFFAOYSA-N 1 0 332.404 1.223 20 5 EDBDRO CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597992428 449176529 /nfs/dbraw/zinc/17/65/29/449176529.db2.gz KOMUCSMETMGBIE-DLBZAZTESA-N 1 0 348.447 1.698 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c1[N+](=O)[O-] ZINC000590589848 449204580 /nfs/dbraw/zinc/20/45/80/449204580.db2.gz RDHIADBRLFLUMQ-OLZOCXBDSA-N 1 0 341.433 1.925 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCn2cncc2C1 ZINC000590599100 449213992 /nfs/dbraw/zinc/21/39/92/449213992.db2.gz HPHAJOZFDYAOEI-UHFFFAOYSA-N 1 0 329.360 1.944 20 5 EDBDRO C[N@@H+]1CCC[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000604198026 449190138 /nfs/dbraw/zinc/19/01/38/449190138.db2.gz DOVNSVNFUQYALY-ZDUSSCGKSA-N 1 0 329.360 1.605 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595826975 449190859 /nfs/dbraw/zinc/19/08/59/449190859.db2.gz BOHXKEODRKYKHV-OLZOCXBDSA-N 1 0 349.387 1.900 20 5 EDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CCc2ccccc21 ZINC000595876165 449226005 /nfs/dbraw/zinc/22/60/05/449226005.db2.gz FAAFKIMBZZKGIB-GDBMZVCRSA-N 1 0 330.388 1.814 20 5 EDBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000604474554 449235500 /nfs/dbraw/zinc/23/55/00/449235500.db2.gz BJWJOUZOCRKEDT-GFCCVEGCSA-N 1 0 329.360 1.605 20 5 EDBDRO NC(=O)CC[C@@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611266501 449243367 /nfs/dbraw/zinc/24/33/67/449243367.db2.gz ISOFCZXBDSGZDS-LBPRGKRZSA-N 1 0 349.387 1.844 20 5 EDBDRO [NH3+][C@@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[C@H]1F ZINC000595906590 449244726 /nfs/dbraw/zinc/24/47/26/449244726.db2.gz LNXYFZROQISCLZ-VXGBXAGGSA-N 1 0 338.339 1.264 20 5 EDBDRO O=C(N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000601970273 449253678 /nfs/dbraw/zinc/25/36/78/449253678.db2.gz NLRPLODJPUBZDY-GUYCJALGSA-N 1 0 345.403 1.028 20 5 EDBDRO CC(C)C[N@H+](C)CCCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000593381303 449253983 /nfs/dbraw/zinc/25/39/83/449253983.db2.gz GEPCXXVYAAIJFT-UHFFFAOYSA-N 1 0 326.401 1.068 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600229144 449254401 /nfs/dbraw/zinc/25/44/01/449254401.db2.gz QOYAZJDWIOQNOC-CQSZACIVSA-N 1 0 335.408 1.705 20 5 EDBDRO CC[C@@H]([NH2+]C)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000595923244 449255500 /nfs/dbraw/zinc/25/55/00/449255500.db2.gz WUWVOYWSEVAJBR-LLVKDONJSA-N 1 0 325.365 1.269 20 5 EDBDRO Cn1cc(C(=O)N2CC3CC2(C[NH3+])C3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595942850 449270411 /nfs/dbraw/zinc/27/04/11/449270411.db2.gz KKZHLNDSMIQYLP-UHFFFAOYSA-N 1 0 341.371 1.559 20 5 EDBDRO [NH3+]CC12CC(C1)CN2C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000595944424 449270772 /nfs/dbraw/zinc/27/07/72/449270772.db2.gz XMECOZZXCLJCFK-UHFFFAOYSA-N 1 0 340.177 1.921 20 5 EDBDRO C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@@H]1CC[NH3+] ZINC000593933421 449295661 /nfs/dbraw/zinc/29/56/61/449295661.db2.gz AKUODEFPZUFXJP-SMDDNHRTSA-N 1 0 349.387 1.956 20 5 EDBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000611462232 449297148 /nfs/dbraw/zinc/29/71/48/449297148.db2.gz KOGYJNPLJYBRHV-CYBMUJFWSA-N 1 0 348.403 1.255 20 5 EDBDRO C[NH+](C)CCN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1=O ZINC000593485702 449304891 /nfs/dbraw/zinc/30/48/91/449304891.db2.gz BGMWIWYSODQRLT-UHFFFAOYSA-N 1 0 326.784 1.458 20 5 EDBDRO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@H](Cc2ccccc2)C1 ZINC000593504595 449314236 /nfs/dbraw/zinc/31/42/36/449314236.db2.gz QSQMTFTUHJZGGH-CYBMUJFWSA-N 1 0 328.376 1.330 20 5 EDBDRO Cc1c(CC(=O)N2CC[NH+](C(C)(C)CO)CC2)cccc1[N+](=O)[O-] ZINC000611516158 449316948 /nfs/dbraw/zinc/31/69/48/449316948.db2.gz XIHKSEAEWXOVFE-UHFFFAOYSA-N 1 0 335.404 1.361 20 5 EDBDRO NC(=O)c1cc(N2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000596062899 449342482 /nfs/dbraw/zinc/34/24/82/449342482.db2.gz OUANGQMNFZTHDJ-UHFFFAOYSA-N 1 0 327.344 1.415 20 5 EDBDRO C[C@H](O)C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000594064132 449344915 /nfs/dbraw/zinc/34/49/15/449344915.db2.gz KVNBFUCYPCEFDV-NSHDSACASA-N 1 0 335.360 1.738 20 5 EDBDRO CC(C)(NC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000602112449 449355020 /nfs/dbraw/zinc/35/50/20/449355020.db2.gz HULLVSNRSZKDLF-GJZGRUSLSA-N 1 0 333.388 1.809 20 5 EDBDRO COc1cc(NC[C@@H]2C[N@H+](C)CCN2C)c(Cl)cc1[N+](=O)[O-] ZINC000596121131 449372966 /nfs/dbraw/zinc/37/29/66/449372966.db2.gz KSMDHPPYOSZQRQ-SNVBAGLBSA-N 1 0 328.800 1.915 20 5 EDBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593538349 449333527 /nfs/dbraw/zinc/33/35/27/449333527.db2.gz OLNNLDKJMJNKEB-UHFFFAOYSA-N 1 0 342.421 1.533 20 5 EDBDRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000611554489 449335290 /nfs/dbraw/zinc/33/52/90/449335290.db2.gz RUDGFANNPNQVQA-JFGNBEQYSA-N 1 0 336.314 1.815 20 5 EDBDRO COC(=O)[C@](C)(NC(=O)C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000600539905 449431556 /nfs/dbraw/zinc/43/15/56/449431556.db2.gz CYNWMUSRBPZKNX-QGZVFWFLSA-N 1 0 349.387 1.441 20 5 EDBDRO CC[NH+]1CCN(CCCNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611701883 449388160 /nfs/dbraw/zinc/38/81/60/449388160.db2.gz RLMQXJLTRSEAIL-UHFFFAOYSA-N 1 0 344.419 1.978 20 5 EDBDRO C[C@@H](CN(C)CCC[NH+](C)C)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000596364071 449483531 /nfs/dbraw/zinc/48/35/31/449483531.db2.gz XDYARUBUYNVTFQ-LBPRGKRZSA-N 1 0 337.424 1.378 20 5 EDBDRO CC[NH+](CC)CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598598775 449484374 /nfs/dbraw/zinc/48/43/74/449484374.db2.gz VLEXFLWEOHBMED-UHFFFAOYSA-N 1 0 329.422 1.832 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2C)c(C)c1[N+](=O)[O-] ZINC000598599612 449484891 /nfs/dbraw/zinc/48/48/91/449484891.db2.gz KGZHOXIAFVIZJF-GFCCVEGCSA-N 1 0 327.406 1.584 20 5 EDBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596242483 449435950 /nfs/dbraw/zinc/43/59/50/449435950.db2.gz UPNMHYHUBWVBGK-NSHDSACASA-N 1 0 344.437 1.775 20 5 EDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1ccc(-n3cncn3)c([N+](=O)[O-])c1)C2 ZINC000598668082 449529966 /nfs/dbraw/zinc/52/99/66/449529966.db2.gz PMGPPTRKFUHUJW-WBMJQRKESA-N 1 0 342.359 1.129 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594476726 449541185 /nfs/dbraw/zinc/54/11/85/449541185.db2.gz XUPTZNNSNRHMLP-VDISTLRHSA-N 1 0 341.433 1.776 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)nc1 ZINC000594484591 449548668 /nfs/dbraw/zinc/54/86/68/449548668.db2.gz VHYLLRPHRPWSNT-QWHCGFSZSA-N 1 0 340.405 1.285 20 5 EDBDRO Cc1cc([N+](=O)[O-])cnc1NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000596423288 449496068 /nfs/dbraw/zinc/49/60/68/449496068.db2.gz KSGSPZPXJZOFOX-QGZVFWFLSA-N 1 0 342.399 2.477 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(NC[C@H]3CC[N@@H+]3Cc3ccccc3)nn21 ZINC000596559420 449552338 /nfs/dbraw/zinc/55/23/38/449552338.db2.gz YEJHOATVYFDVTN-CQSZACIVSA-N 1 0 338.371 2.324 20 5 EDBDRO C[C@@H]1CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@H]1CO ZINC000598645718 449517285 /nfs/dbraw/zinc/51/72/85/449517285.db2.gz GMRBTKHFZQMUSZ-CHWSQXEVSA-N 1 0 349.387 1.843 20 5 EDBDRO CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)[C@H]1CC[NH2+]C1 ZINC000602429684 449579547 /nfs/dbraw/zinc/57/95/47/449579547.db2.gz RVZCQIQYKXEFMY-NSHDSACASA-N 1 0 333.323 1.354 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@](C)(C[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598715259 449558538 /nfs/dbraw/zinc/55/85/38/449558538.db2.gz NUKNCQMPBIPSNO-CQSZACIVSA-N 1 0 327.406 1.571 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC2CCC([NH3+])CC2)c(C)c1[N+](=O)[O-] ZINC000598716225 449559660 /nfs/dbraw/zinc/55/96/60/449559660.db2.gz BYDOEIVIVFHLDL-UHFFFAOYSA-N 1 0 327.406 1.760 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000598716535 449560618 /nfs/dbraw/zinc/56/06/18/449560618.db2.gz LWRAXJVEKNFFTP-QWHCGFSZSA-N 1 0 341.433 1.878 20 5 EDBDRO CC(C)[NH2+][C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000612098805 449561662 /nfs/dbraw/zinc/56/16/62/449561662.db2.gz ITVFLUOCQHXWNT-CABCVRRESA-N 1 0 337.420 1.797 20 5 EDBDRO CO[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@](C)(C[NH3+])C1 ZINC000600886987 449586058 /nfs/dbraw/zinc/58/60/58/449586058.db2.gz VITGNCZHFMGZJB-IUODEOHRSA-N 1 0 339.417 1.652 20 5 EDBDRO C[NH2+]CCOCCN(C)c1ncc([N+](=O)[O-])cc1Br ZINC000600953892 449613376 /nfs/dbraw/zinc/61/33/76/449613376.db2.gz FIIRYCRLLIQXCM-UHFFFAOYSA-N 1 0 333.186 1.425 20 5 EDBDRO Cn1c2cc([N+](=O)[O-])c(N3CCCCC[C@@H]([NH3+])C3)cc2n(C)c1=O ZINC000600958976 449616424 /nfs/dbraw/zinc/61/64/24/449616424.db2.gz OEZGFWLWXJCURC-LLVKDONJSA-N 1 0 333.392 1.493 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600966806 449620728 /nfs/dbraw/zinc/62/07/28/449620728.db2.gz UAUKBUHFPRIVJS-PSASIEDQSA-N 1 0 334.298 1.533 20 5 EDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000602529554 449653095 /nfs/dbraw/zinc/65/30/95/449653095.db2.gz QBSUSJYZLVRWKI-INIZCTEOSA-N 1 0 343.387 1.851 20 5 EDBDRO Cn1ncc(C2CC2)c1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000594730143 449653357 /nfs/dbraw/zinc/65/33/57/449653357.db2.gz BTKHHJDLVTVADW-CYBMUJFWSA-N 1 0 346.387 1.735 20 5 EDBDRO CC1CC[NH+](CCCNS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594746229 449663335 /nfs/dbraw/zinc/66/33/35/449663335.db2.gz MTNWJJDDDZDQOE-UHFFFAOYSA-N 1 0 342.421 1.390 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)CC(F)(F)F)CC2)cn1 ZINC000602581091 449685495 /nfs/dbraw/zinc/68/54/95/449685495.db2.gz PKBIRHWISQLHOL-LLVKDONJSA-N 1 0 348.325 1.862 20 5 EDBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)Nc1ccncc1[N+](=O)[O-] ZINC000596817717 449666899 /nfs/dbraw/zinc/66/68/99/449666899.db2.gz RTRUGRHBRZYLBR-UHFFFAOYSA-N 1 0 333.392 1.655 20 5 EDBDRO O=[N+]([O-])c1cccnc1S(=O)(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000594755950 449670616 /nfs/dbraw/zinc/67/06/16/449670616.db2.gz QZQJOSCETKCRBB-UHFFFAOYSA-N 1 0 340.405 1.143 20 5 EDBDRO CCC(CC)[C@@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])[NH+](C)C ZINC000594770532 449683600 /nfs/dbraw/zinc/68/36/00/449683600.db2.gz JTPAVOGMPJNQFM-CYBMUJFWSA-N 1 0 344.437 1.635 20 5 EDBDRO O=C(NCCCN1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915456 449645101 /nfs/dbraw/zinc/64/51/01/449645101.db2.gz MEBHPJWPFWVFHD-UHFFFAOYSA-N 1 0 341.799 1.665 20 5 EDBDRO CC(C)(C)N1CC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000594718545 449645147 /nfs/dbraw/zinc/64/51/47/449645147.db2.gz SFDABPCCSQXPHK-HUUCEWRRSA-N 1 0 337.420 1.797 20 5 EDBDRO C[C@@H](C[S@](C)=O)[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602616685 449707240 /nfs/dbraw/zinc/70/72/40/449707240.db2.gz WVQVVTPNUKHOBG-MYODQAERSA-N 1 0 340.449 1.657 20 5 EDBDRO C[C@H](C[S@@](C)=O)[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602616686 449707496 /nfs/dbraw/zinc/70/74/96/449707496.db2.gz WVQVVTPNUKHOBG-SFDCACGMSA-N 1 0 340.449 1.657 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c(C)cc1[N+](=O)[O-] ZINC000599106133 449737975 /nfs/dbraw/zinc/73/79/75/449737975.db2.gz SHDZSFYMNDAQRF-NWDGAFQWSA-N 1 0 327.406 1.630 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000594800855 449712043 /nfs/dbraw/zinc/71/20/43/449712043.db2.gz IJZOXDCQSWCQSN-CYBMUJFWSA-N 1 0 341.433 1.887 20 5 EDBDRO C[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccc([N+](=O)[O-])cc1 ZINC000599063796 449716206 /nfs/dbraw/zinc/71/62/06/449716206.db2.gz HXFLHLQAYQFIRW-KBXCAEBGSA-N 1 0 349.431 1.861 20 5 EDBDRO CN1CC[NH+](CC2CN(c3nccc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000599107144 449739197 /nfs/dbraw/zinc/73/91/97/449739197.db2.gz JPEVQPXMOMIIGR-UHFFFAOYSA-N 1 0 341.415 1.827 20 5 EDBDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602654704 449732078 /nfs/dbraw/zinc/73/20/78/449732078.db2.gz RNQJILUZBWWIQJ-IUODEOHRSA-N 1 0 346.387 1.838 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc1C ZINC000599100809 449732316 /nfs/dbraw/zinc/73/23/16/449732316.db2.gz HWWNGVGYHHVSTR-CQSZACIVSA-N 1 0 341.433 1.830 20 5 EDBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000602657482 449733513 /nfs/dbraw/zinc/73/35/13/449733513.db2.gz XTFANSPOTWDZFC-CQSZACIVSA-N 1 0 347.337 1.990 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000602583057 449687010 /nfs/dbraw/zinc/68/70/10/449687010.db2.gz OTVKMLZNHUATNY-QGZVFWFLSA-N 1 0 347.415 1.754 20 5 EDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594777388 449689428 /nfs/dbraw/zinc/68/94/28/449689428.db2.gz DRFQIIKLAOBTDK-NWDGAFQWSA-N 1 0 340.405 1.237 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1SC ZINC000602591075 449691470 /nfs/dbraw/zinc/69/14/70/449691470.db2.gz KGRBSGJRWNMHRZ-AOOOYVTPSA-N 1 0 337.401 1.902 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000599108275 449741136 /nfs/dbraw/zinc/74/11/36/449741136.db2.gz VJUAXFHKLZCVNW-VHSXEESVSA-N 1 0 329.378 1.022 20 5 EDBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000601210928 449753503 /nfs/dbraw/zinc/75/35/03/449753503.db2.gz WQZLLYIYRPGSIK-DZGCQCFKSA-N 1 0 327.388 2.565 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000602786437 449807533 /nfs/dbraw/zinc/80/75/33/449807533.db2.gz TYGSVTFIXKPLTC-AWEZNQCLSA-N 1 0 335.408 1.434 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000601337511 449845959 /nfs/dbraw/zinc/84/59/59/449845959.db2.gz BMOOQEKLRULVOZ-LLVKDONJSA-N 1 0 345.396 1.662 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000602825219 449837361 /nfs/dbraw/zinc/83/73/61/449837361.db2.gz KDUFKSUBHQMUFN-DVOMOZLQSA-N 1 0 338.408 1.758 20 5 EDBDRO O=C(CCN1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000601333360 449841062 /nfs/dbraw/zinc/84/10/62/449841062.db2.gz CQRVCWFCKHBLIF-DZGCQCFKSA-N 1 0 332.404 1.997 20 5 EDBDRO CC(C)c1ccc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594878342 449791231 /nfs/dbraw/zinc/79/12/31/449791231.db2.gz ZUPZNLFVUWINMI-GXTWGEPZSA-N 1 0 346.387 1.102 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601348673 449860444 /nfs/dbraw/zinc/86/04/44/449860444.db2.gz XJJPQHBRTALOIJ-DTORHVGOSA-N 1 0 331.781 1.373 20 5 EDBDRO CCc1ccc(C(=O)N2CCN(CCO)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000614895280 449864313 /nfs/dbraw/zinc/86/43/13/449864313.db2.gz XFCMYBRSKZMOTJ-UHFFFAOYSA-N 1 0 335.404 1.686 20 5 EDBDRO [NH3+]C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000595101857 449869405 /nfs/dbraw/zinc/86/94/05/449869405.db2.gz HNNDYXJCYJDWHL-GFCCVEGCSA-N 1 0 328.394 1.176 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000595109820 449874154 /nfs/dbraw/zinc/87/41/54/449874154.db2.gz SBGOHVSDYZPSMA-CHWSQXEVSA-N 1 0 340.405 1.285 20 5 EDBDRO CC[C@H](NS(=O)(=O)CCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000601364803 449878429 /nfs/dbraw/zinc/87/84/29/449878429.db2.gz MHOCSTRJEZQNNY-AWEZNQCLSA-N 1 0 329.422 1.917 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595122364 449883545 /nfs/dbraw/zinc/88/35/45/449883545.db2.gz XDQKFQPQUOXLFU-VXGBXAGGSA-N 1 0 331.369 1.217 20 5 EDBDRO CCN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)[C@H]1CC[N@H+](CC)C1 ZINC000595132242 449890560 /nfs/dbraw/zinc/89/05/60/449890560.db2.gz VTKIEOSNPIOLDV-AWEZNQCLSA-N 1 0 348.403 1.784 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000608899662 449947473 /nfs/dbraw/zinc/94/74/73/449947473.db2.gz BXLMESBLCQQNLT-UHFFFAOYSA-N 1 0 327.304 1.319 20 5 EDBDRO Cc1cc(S(=O)(=O)NC2(C[NH+](C)C)CCC2)c(F)cc1[N+](=O)[O-] ZINC000601409035 449924782 /nfs/dbraw/zinc/92/47/82/449924782.db2.gz HSKBOSZGVJQAIZ-UHFFFAOYSA-N 1 0 345.396 1.805 20 5 EDBDRO Cc1csc(=O)n1CC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962770 449964819 /nfs/dbraw/zinc/96/48/19/449964819.db2.gz OULNZEMOGDUBDT-OAHLLOKOSA-N 1 0 337.401 1.624 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000609257764 449984713 /nfs/dbraw/zinc/98/47/13/449984713.db2.gz DQTRZZDRZJWLCE-CVEARBPZSA-N 1 0 346.387 1.868 20 5 EDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000609448446 450029393 /nfs/dbraw/zinc/02/93/93/450029393.db2.gz POLJYTSUBGIPEB-ZDUSSCGKSA-N 1 0 325.340 1.575 20 5 EDBDRO O=C(N[C@@H](CO)C[NH+]1CCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000603053859 450038636 /nfs/dbraw/zinc/03/86/36/450038636.db2.gz UBODAGPNHIWPLK-OAHLLOKOSA-N 1 0 347.415 1.589 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000595357104 450073312 /nfs/dbraw/zinc/07/33/12/450073312.db2.gz YFEJFKHREIPYNG-ZDUSSCGKSA-N 1 0 341.433 1.974 20 5 EDBDRO CN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000609557333 450051789 /nfs/dbraw/zinc/05/17/89/450051789.db2.gz XKXFHUJBHAJQQA-OAHLLOKOSA-N 1 0 348.403 1.852 20 5 EDBDRO O=C(NCCCO)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609626464 450074461 /nfs/dbraw/zinc/07/44/61/450074461.db2.gz XJSOYGVUTCBMAR-UHFFFAOYSA-N 1 0 335.404 1.348 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCO[C@H]3CC3(F)F)C2)nc1 ZINC000595373223 450087142 /nfs/dbraw/zinc/08/71/42/450087142.db2.gz YQBNVXSOAJHACA-PWSUYJOCSA-N 1 0 328.319 1.900 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)c1nccn1C ZINC000595384265 450099866 /nfs/dbraw/zinc/09/98/66/450099866.db2.gz VIMLYABGGMMZKD-SECBINFHSA-N 1 0 340.361 1.376 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000599609826 450101313 /nfs/dbraw/zinc/10/13/13/450101313.db2.gz BLIFPDWKIXODPV-IUCAKERBSA-N 1 0 347.297 1.403 20 5 EDBDRO COc1cccc(C(=O)N2CC[C@@H](N3CCC3)[C@H](F)C2)c1[N+](=O)[O-] ZINC000597577034 450120145 /nfs/dbraw/zinc/12/01/45/450120145.db2.gz FRZNZTBLBUUNTP-CHWSQXEVSA-N 1 0 337.351 1.862 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000595413235 450124751 /nfs/dbraw/zinc/12/47/51/450124751.db2.gz RXTCRWHZFRKSMX-AWEZNQCLSA-N 1 0 341.433 1.830 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000595415952 450127263 /nfs/dbraw/zinc/12/72/63/450127263.db2.gz TUWMRZOQDVKUII-LBPRGKRZSA-N 1 0 327.406 1.522 20 5 EDBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597606962 450143389 /nfs/dbraw/zinc/14/33/89/450143389.db2.gz ZNZIRWGGXFGOQX-GFCCVEGCSA-N 1 0 335.360 1.880 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599681405 450148927 /nfs/dbraw/zinc/14/89/27/450148927.db2.gz QESNTRRTIAQPDL-FABXCBLPSA-N 1 0 349.387 1.777 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599669043 450141247 /nfs/dbraw/zinc/14/12/47/450141247.db2.gz ATQGMYBVMNQIGS-GMXVVIOVSA-N 1 0 337.376 1.633 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000610309573 450188396 /nfs/dbraw/zinc/18/83/96/450188396.db2.gz PRZVZVGENQYPHP-LBPRGKRZSA-N 1 0 349.387 1.780 20 5 EDBDRO COc1ccc(OCC[NH+]2CCC(CO)(OC)CC2)c([N+](=O)[O-])c1 ZINC000618551379 450240356 /nfs/dbraw/zinc/24/03/56/450240356.db2.gz ZKVQAFCLOAQMSW-UHFFFAOYSA-N 1 0 340.376 1.456 20 5 EDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000619872077 450349492 /nfs/dbraw/zinc/34/94/92/450349492.db2.gz YOEQCJXWAAWANC-CQSZACIVSA-N 1 0 333.388 1.922 20 5 EDBDRO COCCNC(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000603840916 450357375 /nfs/dbraw/zinc/35/73/75/450357375.db2.gz MBKMWOPVUCSGDL-UHFFFAOYSA-N 1 0 335.404 1.878 20 5 EDBDRO Cc1c(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000187733060 533895778 /nfs/dbraw/zinc/89/57/78/533895778.db2.gz GMBRJYWLHHZRSP-UHFFFAOYSA-N 1 0 334.376 1.394 20 5 EDBDRO C[C@H](O)[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000130116553 534109005 /nfs/dbraw/zinc/10/90/05/534109005.db2.gz DMLZCKONRCRRPZ-QWRGUYRKSA-N 1 0 325.340 1.765 20 5 EDBDRO [NH3+]C[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000165853221 534692158 /nfs/dbraw/zinc/69/21/58/534692158.db2.gz CZLBTKAZEWGRFM-MRVPVSSYSA-N 1 0 328.166 1.778 20 5 EDBDRO CC(=O)N1CCN(CC[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000344871484 534791505 /nfs/dbraw/zinc/79/15/05/534791505.db2.gz YRRUXIAQENIKTJ-NTCAYCPXSA-N 1 0 346.431 1.752 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(n3cncn3)CC2)c1 ZINC000363376719 527390944 /nfs/dbraw/zinc/39/09/44/527390944.db2.gz PPBINSQPWNIOKU-OAHLLOKOSA-N 1 0 347.375 1.263 20 5 EDBDRO CC(C)C[NH+]1CCC(NC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000178433494 527960523 /nfs/dbraw/zinc/96/05/23/527960523.db2.gz PKCRZYNVVBNFFN-UHFFFAOYSA-N 1 0 338.412 1.211 20 5 EDBDRO CC1(CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[NH2+]CC1 ZINC000183339424 527973618 /nfs/dbraw/zinc/97/36/18/527973618.db2.gz LKPMJINCKDEBHG-UHFFFAOYSA-N 1 0 344.371 1.556 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N(C)CC[N@H+](C)C2CC2)cc([N+](=O)[O-])c1 ZINC000186739526 528135264 /nfs/dbraw/zinc/13/52/64/528135264.db2.gz FSNASXJNEQGZGQ-UHFFFAOYSA-N 1 0 349.387 1.938 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH2+]C)cc1OC ZINC000154601917 528335279 /nfs/dbraw/zinc/33/52/79/528335279.db2.gz HXIRKBPJDQUOPO-SNVBAGLBSA-N 1 0 325.365 1.587 20 5 EDBDRO CC(C)C[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178005149 528475745 /nfs/dbraw/zinc/47/57/45/528475745.db2.gz ZHDSKPVNGBREBZ-LBPRGKRZSA-N 1 0 329.422 1.897 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000183961830 528548071 /nfs/dbraw/zinc/54/80/71/528548071.db2.gz UPBBKIPYWQQXKI-UHFFFAOYSA-N 1 0 337.401 1.854 20 5 EDBDRO CCN1CC[NH+](C[C@@H](C)CNc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000263981787 535707238 /nfs/dbraw/zinc/70/72/38/535707238.db2.gz BNFMFYXIAQGCLJ-LBPRGKRZSA-N 1 0 348.407 1.817 20 5 EDBDRO C[NH+](C)CCCCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000344557710 535831765 /nfs/dbraw/zinc/83/17/65/535831765.db2.gz LOLAZOHXRAIUCL-UHFFFAOYSA-N 1 0 332.364 1.247 20 5 EDBDRO C[NH+](C)CCOCCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000345941252 535900589 /nfs/dbraw/zinc/90/05/89/535900589.db2.gz VEQRVIPMKDTIPH-UHFFFAOYSA-N 1 0 347.375 1.089 20 5 EDBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(C)nn(C)c1C ZINC000347950190 535907772 /nfs/dbraw/zinc/90/77/72/535907772.db2.gz CHKUGOQNXUVZOO-KGLIPLIRSA-N 1 0 336.396 1.243 20 5 EDBDRO CN1C(=O)N[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000345675303 536326792 /nfs/dbraw/zinc/32/67/92/536326792.db2.gz MFRVYGNHIWVNGS-QWHCGFSZSA-N 1 0 347.375 1.021 20 5 EDBDRO CN(CCC[NH+]1CCCC1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000337201734 536346426 /nfs/dbraw/zinc/34/64/26/536346426.db2.gz DIFZRRVIDMMTPG-UHFFFAOYSA-N 1 0 346.431 1.902 20 5 EDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246575545 536469583 /nfs/dbraw/zinc/46/95/83/536469583.db2.gz CEIKNSAYYRKZDW-XJKSGUPXSA-N 1 0 333.388 1.916 20 5 EDBDRO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000727169661 578520326 /nfs/dbraw/zinc/52/03/26/578520326.db2.gz MZBOSORVOXNICR-ZDUSSCGKSA-N 1 0 344.371 1.318 20 5 EDBDRO C[NH+](C)C1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000731638480 578677343 /nfs/dbraw/zinc/67/73/43/578677343.db2.gz IFRSEZYTLLPYRV-UHFFFAOYSA-N 1 0 335.360 1.339 20 5 EDBDRO Cc1c(CO)cc([N+](=O)[O-])c(N2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000732043866 578688259 /nfs/dbraw/zinc/68/82/59/578688259.db2.gz TZRODLUCJFVNEI-LBPRGKRZSA-N 1 0 336.348 1.588 20 5 EDBDRO CC[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC000736349734 578981326 /nfs/dbraw/zinc/98/13/26/578981326.db2.gz JVABXVCYUNFEGC-SNVBAGLBSA-N 1 0 332.368 1.456 20 5 EDBDRO CN(c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000736842735 579025735 /nfs/dbraw/zinc/02/57/35/579025735.db2.gz VYWAZITWPPVYEZ-LBPRGKRZSA-N 1 0 329.364 1.448 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000750036264 579749243 /nfs/dbraw/zinc/74/92/43/579749243.db2.gz KHKMIHQKOCWHGC-ROUUACIJSA-N 1 0 349.431 1.815 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000758332478 579980123 /nfs/dbraw/zinc/98/01/23/579980123.db2.gz CAKCSXOBXDMCPM-FZMZJTMJSA-N 1 0 347.371 1.385 20 5 EDBDRO COCCS(=O)(=O)CCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000775575603 580394025 /nfs/dbraw/zinc/39/40/25/580394025.db2.gz DKKBPTPTEFUUPT-LBPRGKRZSA-N 1 0 330.406 1.697 20 5 EDBDRO C[C@@H]1CN(CCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000776277532 580413763 /nfs/dbraw/zinc/41/37/63/580413763.db2.gz QGURXYSYIKQRKL-JKIFEVAISA-N 1 0 337.420 1.717 20 5 EDBDRO COC(=O)CC1([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000776591879 580423014 /nfs/dbraw/zinc/42/30/14/580423014.db2.gz QSGYIBBSJGBQLB-AWEZNQCLSA-N 1 0 338.360 1.330 20 5 EDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000781945063 580560886 /nfs/dbraw/zinc/56/08/86/580560886.db2.gz YCPCVMQYHVMUDG-BBRMVZONSA-N 1 0 337.420 1.405 20 5 EDBDRO O=C1NC2(CO1)CC[NH+](CCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000784468997 580621670 /nfs/dbraw/zinc/62/16/70/580621670.db2.gz MKRSWXURMHWSQB-UHFFFAOYSA-N 1 0 335.360 1.938 20 5 EDBDRO O=[N+]([O-])CCN1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000791052934 580783585 /nfs/dbraw/zinc/78/35/85/580783585.db2.gz PRSKUROLVOCWOZ-INIZCTEOSA-N 1 0 333.436 1.192 20 5 EDBDRO COC(=O)[C@H]1[C@@H]2C[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21 ZINC000794983644 580909918 /nfs/dbraw/zinc/90/99/18/580909918.db2.gz MRDJNGVVIGPGEW-LJISPDSOSA-N 1 0 345.355 1.051 20 5 EDBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000890881969 590830265 /nfs/dbraw/zinc/83/02/65/590830265.db2.gz DNDTTYBCCFYGHE-UHFFFAOYSA-N 1 0 337.376 1.983 20 5 EDBDRO COc1ccc(CNC(=O)N2CCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000892210660 590866733 /nfs/dbraw/zinc/86/67/33/590866733.db2.gz FSLISROKGLSQRT-UHFFFAOYSA-N 1 0 348.403 1.983 20 5 EDBDRO COc1c(O)ccc(CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000894158943 591211466 /nfs/dbraw/zinc/21/14/66/591211466.db2.gz RCCISRCJBLDDBM-NWDGAFQWSA-N 1 0 339.392 1.196 20 5 EDBDRO COc1c(O)ccc(C[NH2+][C@H]2CCN(CC(F)F)C2)c1[N+](=O)[O-] ZINC000894967497 591501735 /nfs/dbraw/zinc/50/17/35/591501735.db2.gz TTYBGDASJJGPHV-JTQLQIEISA-N 1 0 331.319 1.738 20 5 EDBDRO C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896557222 591521573 /nfs/dbraw/zinc/52/15/73/591521573.db2.gz SRGCJICJPCKEEQ-BBRMVZONSA-N 1 0 334.420 1.278 20 5 EDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2(O)CCC3(CC2)OCCO3)cc1 ZINC000896688573 591575490 /nfs/dbraw/zinc/57/54/90/591575490.db2.gz PICHAPULCHQMDQ-UHFFFAOYSA-N 1 0 336.388 1.775 20 5 EDBDRO C[C@@H](Nc1ncnc2cccc([N+](=O)[O-])c21)[C@@H]1C[N@H+](C)CCN1C ZINC000895245818 591678241 /nfs/dbraw/zinc/67/82/41/591678241.db2.gz IDRJFCNDFFGOEZ-RISCZKNCSA-N 1 0 330.392 1.584 20 5 EDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCS(=O)(=O)N2CCCC2)cc1Cl ZINC000897830616 591687432 /nfs/dbraw/zinc/68/74/32/591687432.db2.gz FFODXUHESXDDKB-UHFFFAOYSA-N 1 0 347.824 1.763 20 5 EDBDRO C[C@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000897049647 591721390 /nfs/dbraw/zinc/72/13/90/591721390.db2.gz GYMGZGHDTMUJOE-MCIONIFRSA-N 1 0 332.404 1.901 20 5 EDBDRO O=[N+]([O-])c1cncc(Cl)c1N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000897220849 591775677 /nfs/dbraw/zinc/77/56/77/591775677.db2.gz FBCRFWKBWHRDLN-NEPJUHHUSA-N 1 0 326.784 1.679 20 5 EDBDRO O=C(N1CCN(c2ccccc2[N+](=O)[O-])CC1)C12CC[NH+](CC1)C2 ZINC000899946896 591834585 /nfs/dbraw/zinc/83/45/85/591834585.db2.gz KFXYKURFYUCPDC-UHFFFAOYSA-N 1 0 330.388 1.339 20 5 EDBDRO CO[C@]1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)C1 ZINC000903372241 592162211 /nfs/dbraw/zinc/16/22/11/592162211.db2.gz XOVBOOWJPJWUDK-FZMZJTMJSA-N 1 0 328.390 1.449 20 5 EDBDRO O=C(CCN[C@@H]1CC[NH2+]C12CCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000903472303 592175635 /nfs/dbraw/zinc/17/56/35/592175635.db2.gz RJYAQLOLHXHZRG-CQSZACIVSA-N 1 0 336.367 1.937 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)c(C)cc1[N+](=O)[O-] ZINC000903591435 592235806 /nfs/dbraw/zinc/23/58/06/592235806.db2.gz FODBIBJNTPCLDU-OAHLLOKOSA-N 1 0 339.417 1.728 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)c1[N+](=O)[O-] ZINC000903593844 592237298 /nfs/dbraw/zinc/23/72/98/592237298.db2.gz XRSIEFORTMXFPZ-OAHLLOKOSA-N 1 0 339.417 1.728 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906690985 592291052 /nfs/dbraw/zinc/29/10/52/592291052.db2.gz CFEHBNMGQOBAMD-LBPRGKRZSA-N 1 0 349.387 1.780 20 5 EDBDRO COCC[C@@H]1C[NH2+]CCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000903836224 592338310 /nfs/dbraw/zinc/33/83/10/592338310.db2.gz HJMGICXVTOQFTL-CYBMUJFWSA-N 1 0 339.392 1.293 20 5 EDBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000907389887 592622575 /nfs/dbraw/zinc/62/25/75/592622575.db2.gz VZZYCNUMRZFHOF-CYBMUJFWSA-N 1 0 331.731 1.184 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000911634379 592971190 /nfs/dbraw/zinc/97/11/90/592971190.db2.gz NEUHHMLLUZWCDR-BLLLJJGKSA-N 1 0 346.387 1.546 20 5 EDBDRO O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)N1CCC[NH2+]CC1 ZINC000911656561 592978461 /nfs/dbraw/zinc/97/84/61/592978461.db2.gz RVLIJXPQNNQRQD-UHFFFAOYSA-N 1 0 329.360 1.275 20 5 EDBDRO COC[C@@H]1CCN1CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000840083143 593142537 /nfs/dbraw/zinc/14/25/37/593142537.db2.gz MZEWKSZYIUMXLJ-BBRMVZONSA-N 1 0 348.359 1.040 20 5 EDBDRO O=C(CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000838791252 593217847 /nfs/dbraw/zinc/21/78/47/593217847.db2.gz QIWVQIFWXBDCQJ-UHFFFAOYSA-N 1 0 332.404 1.729 20 5 EDBDRO CC(C)[N@@H+]1CCO[C@H](COC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000802134908 593221748 /nfs/dbraw/zinc/22/17/48/593221748.db2.gz QHVXNJUUSSQSDM-ZDUSSCGKSA-N 1 0 338.360 1.626 20 5 EDBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](O)Cn1ccnn1 ZINC000839181508 593272097 /nfs/dbraw/zinc/27/20/97/593272097.db2.gz YCZQBOPCBKKLOA-JTQLQIEISA-N 1 0 346.174 1.644 20 5 EDBDRO Cc1nn(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000840173456 593336952 /nfs/dbraw/zinc/33/69/52/593336952.db2.gz CWLJJFLLHSVUPO-LBPRGKRZSA-N 1 0 331.376 1.621 20 5 EDBDRO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000839639315 593361231 /nfs/dbraw/zinc/36/12/31/593361231.db2.gz DMJVPNLUBZCJLO-HZPDHXFCSA-N 1 0 335.404 1.689 20 5 EDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[NH+](CCCCO)CC2)s1 ZINC000804502461 593420335 /nfs/dbraw/zinc/42/03/35/593420335.db2.gz SHKAVNIUAGIDRU-UHFFFAOYSA-N 1 0 337.405 1.494 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(-n3ccnc3)cc2)c1 ZINC000818979846 593732083 /nfs/dbraw/zinc/73/20/83/593732083.db2.gz BQPQHFUDIFGBER-INIZCTEOSA-N 1 0 342.359 1.128 20 5 EDBDRO Cn1cc(N2CCC[C@@H]([NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000819103692 593739090 /nfs/dbraw/zinc/73/90/90/593739090.db2.gz GHTYXHUQUBVSGQ-RHSMWYFYSA-N 1 0 345.403 1.620 20 5 EDBDRO COc1ccc(OC)c([C@@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000819176682 593742965 /nfs/dbraw/zinc/74/29/65/593742965.db2.gz MFRXWFIKQXDYHR-AWEZNQCLSA-N 1 0 336.348 1.132 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000819310677 593750038 /nfs/dbraw/zinc/75/00/38/593750038.db2.gz CQKRINTXPPVSTQ-FZMZJTMJSA-N 1 0 328.390 1.043 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2c(F)cc(F)cc2F)c1 ZINC000819334176 593750891 /nfs/dbraw/zinc/75/08/91/593750891.db2.gz WDYBPBWLSIOAJX-JTQLQIEISA-N 1 0 330.266 1.359 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821581304 593868267 /nfs/dbraw/zinc/86/82/67/593868267.db2.gz IEKSNYSIJWLCIT-ZJUUUORDSA-N 1 0 332.368 1.455 20 5 EDBDRO Nc1ccc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000823997675 593904312 /nfs/dbraw/zinc/90/43/12/593904312.db2.gz GNLOEUSSIUXWMN-NWDGAFQWSA-N 1 0 335.364 1.162 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821181621 593984910 /nfs/dbraw/zinc/98/49/10/593984910.db2.gz NMCIENYPEWVYIL-LBPRGKRZSA-N 1 0 331.380 1.695 20 5 EDBDRO C[C@H](CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000824407582 594004116 /nfs/dbraw/zinc/00/41/16/594004116.db2.gz YAVDDXYGPOKJOR-LLVKDONJSA-N 1 0 346.395 1.846 20 5 EDBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NC1CC[NH+](C)CC1 ZINC000822231138 594015422 /nfs/dbraw/zinc/01/54/22/594015422.db2.gz BEARUQJCMYLFIT-UHFFFAOYSA-N 1 0 338.339 1.516 20 5 EDBDRO CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000823266865 594178314 /nfs/dbraw/zinc/17/83/14/594178314.db2.gz IECDAACWOPQAQB-OAHLLOKOSA-N 1 0 340.468 1.449 20 5 EDBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000823309979 594183570 /nfs/dbraw/zinc/18/35/70/594183570.db2.gz FGRPJMOQUMNDTA-SNVBAGLBSA-N 1 0 338.339 1.516 20 5 EDBDRO Cc1ccc(CNC(=O)c2cnn(CC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000825640466 594210342 /nfs/dbraw/zinc/21/03/42/594210342.db2.gz FRTNIVRCQOEUMU-UHFFFAOYSA-N 1 0 331.376 1.591 20 5 EDBDRO O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000830429072 594394418 /nfs/dbraw/zinc/39/44/18/594394418.db2.gz YENDRXUXCVNHTJ-UHFFFAOYSA-N 1 0 338.751 1.422 20 5 EDBDRO CCO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C[NH+](C)C ZINC000831730311 594697064 /nfs/dbraw/zinc/69/70/64/594697064.db2.gz BJJMYLSJKLBTLV-NSHDSACASA-N 1 0 329.784 1.945 20 5 EDBDRO CCO[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000831776048 594702091 /nfs/dbraw/zinc/70/20/91/594702091.db2.gz DEGSGPGGRQDMIL-CQSZACIVSA-N 1 0 325.365 1.057 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000841208791 594868487 /nfs/dbraw/zinc/86/84/87/594868487.db2.gz SWKRIGNMCAKVEH-UWVGGRQHSA-N 1 0 338.339 1.177 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC(C)(C)CCC[NH3+] ZINC000841251449 594876105 /nfs/dbraw/zinc/87/61/05/594876105.db2.gz LRXKFPAQMFKFIF-UHFFFAOYSA-N 1 0 340.355 1.615 20 5 EDBDRO COc1ccc(OS(=O)(=O)CC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000867179537 594974375 /nfs/dbraw/zinc/97/43/75/594974375.db2.gz NBHSHRXVWWNNEE-UHFFFAOYSA-N 1 0 330.362 1.406 20 5 EDBDRO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000837304653 595081420 /nfs/dbraw/zinc/08/14/20/595081420.db2.gz HRCWQIYGOHZVSH-SCZZXKLOSA-N 1 0 333.373 1.281 20 5 EDBDRO CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000843347029 595082186 /nfs/dbraw/zinc/08/21/86/595082186.db2.gz QXQZEJRKSQBRRT-UHFFFAOYSA-N 1 0 326.784 1.871 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000842484596 595120054 /nfs/dbraw/zinc/12/00/54/595120054.db2.gz BTACBLUQUGCIQC-OAHLLOKOSA-N 1 0 339.417 1.728 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000834637227 595181098 /nfs/dbraw/zinc/18/10/98/595181098.db2.gz WIMXJUUISUNQPY-IUODEOHRSA-N 1 0 348.403 1.159 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC[C@@H]1[NH3+] ZINC000842798330 595202989 /nfs/dbraw/zinc/20/29/89/595202989.db2.gz PZSNFZOJCDBQKH-JQWIXIFHSA-N 1 0 343.405 1.351 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843053238 595275963 /nfs/dbraw/zinc/27/59/63/595275963.db2.gz ZNLQQRQKQZXMJG-UHFFFAOYSA-N 1 0 336.392 1.785 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCc3c2cnn3CCO)c1 ZINC000843066307 595279219 /nfs/dbraw/zinc/27/92/19/595279219.db2.gz UTCOUWUZAXVLFV-NVXWUHKLSA-N 1 0 346.387 1.484 20 5 EDBDRO Cc1cccc([C@@H](O)C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000843086430 595284037 /nfs/dbraw/zinc/28/40/37/595284037.db2.gz GDDOFIZGUCEIAL-WBVHZDCISA-N 1 0 346.383 1.966 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846665980 595296012 /nfs/dbraw/zinc/29/60/12/595296012.db2.gz BJANIHCHWXYYLP-NHYWBVRUSA-N 1 0 339.779 1.443 20 5 EDBDRO CC(C)[C@H]([NH3+])c1noc(CN2c3cc([N+](=O)[O-])ccc3OCC2=O)n1 ZINC000843155692 595296872 /nfs/dbraw/zinc/29/68/72/595296872.db2.gz VQCLKAWXWQLRET-AWEZNQCLSA-N 1 0 347.331 1.559 20 5 EDBDRO C[NH2+]CCN(C)C(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 ZINC000846674952 595298618 /nfs/dbraw/zinc/29/86/18/595298618.db2.gz ZBJXMZQSESDJCZ-UHFFFAOYSA-N 1 0 331.376 1.439 20 5 EDBDRO CN1CCCC[C@@H]1C[NH2+][C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000846701370 595303900 /nfs/dbraw/zinc/30/39/00/595303900.db2.gz FAXZLYBAJXPDJM-HUUCEWRRSA-N 1 0 346.387 1.301 20 5 EDBDRO Nc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1[N+](=O)[O-] ZINC000846700897 595304040 /nfs/dbraw/zinc/30/40/40/595304040.db2.gz ZRNQTXMBIWCSQC-BJJXKVORSA-N 1 0 348.403 1.678 20 5 EDBDRO NC(=O)C[C@H]1CC[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848486723 595392806 /nfs/dbraw/zinc/39/28/06/595392806.db2.gz KQIOGWWRCFEJAT-IUODEOHRSA-N 1 0 346.387 1.066 20 5 EDBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](CCCF)CC2)c([N+](=O)[O-])c1 ZINC000860007512 595541406 /nfs/dbraw/zinc/54/14/06/595541406.db2.gz BINPPYAWDURCAU-UHFFFAOYSA-N 1 0 326.328 1.980 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000852806987 595551512 /nfs/dbraw/zinc/55/15/12/595551512.db2.gz NGRSVJGSUWUYKH-DGCLKSJQSA-N 1 0 327.768 1.570 20 5 EDBDRO C[NH2+][C@H]1CCCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857763940 595599674 /nfs/dbraw/zinc/59/96/74/595599674.db2.gz BGVUGTPBZLKGKK-JTQLQIEISA-N 1 0 329.303 1.777 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766416 595600957 /nfs/dbraw/zinc/60/09/57/595600957.db2.gz NKPPTPNKZHEIPU-CABZTGNLSA-N 1 0 329.303 1.681 20 5 EDBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000853559349 595803285 /nfs/dbraw/zinc/80/32/85/595803285.db2.gz FVNJFSYETUBTKZ-MRXNPFEDSA-N 1 0 329.404 1.998 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H](O)c3ccccn3)C2)nc1 ZINC000851843210 595944140 /nfs/dbraw/zinc/94/41/40/595944140.db2.gz CDLLNDJBXWJCJY-IUODEOHRSA-N 1 0 329.360 1.605 20 5 EDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000856480547 596002754 /nfs/dbraw/zinc/00/27/54/596002754.db2.gz VBUBPBGXDYKUBY-LBPRGKRZSA-N 1 0 333.392 1.424 20 5 EDBDRO CC(C)[C@@H]1CN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[NH2+]1 ZINC000856490165 596005022 /nfs/dbraw/zinc/00/50/22/596005022.db2.gz XETASBOHXUWSBB-GOEBONIOSA-N 1 0 346.387 1.544 20 5 EDBDRO CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000852495085 596181750 /nfs/dbraw/zinc/18/17/50/596181750.db2.gz HINWGPSJUWYOLU-LLVKDONJSA-N 1 0 343.767 1.534 20 5 EDBDRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000857235063 596194180 /nfs/dbraw/zinc/19/41/80/596194180.db2.gz OHBWKEANRVMEDS-TVQRCGJNSA-N 1 0 345.808 1.750 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000852707671 596230919 /nfs/dbraw/zinc/23/09/19/596230919.db2.gz IPWJPGNULGYUAP-IAGOWNOFSA-N 1 0 335.404 1.159 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)cc1F ZINC000866787683 596346740 /nfs/dbraw/zinc/34/67/40/596346740.db2.gz OYFMYIHVTUUYML-LLVKDONJSA-N 1 0 345.396 1.615 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866825043 596367046 /nfs/dbraw/zinc/36/70/46/596367046.db2.gz OZXFIAGEHLHODC-HIFRSBDPSA-N 1 0 339.417 1.293 20 5 EDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000865061331 596459470 /nfs/dbraw/zinc/45/94/70/596459470.db2.gz XVKNRKHYYZWAQO-OLZOCXBDSA-N 1 0 337.351 1.256 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000868034698 596662671 /nfs/dbraw/zinc/66/26/71/596662671.db2.gz HYMLESBWDRSEBW-SMDDNHRTSA-N 1 0 337.351 1.713 20 5 EDBDRO C[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069222 596800676 /nfs/dbraw/zinc/80/06/76/596800676.db2.gz MTPXHFUXYOMMQU-GFCCVEGCSA-N 1 0 342.367 1.943 20 5 EDBDRO C[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872092785 596803947 /nfs/dbraw/zinc/80/39/47/596803947.db2.gz RBFJIXBRDJFVGI-BMIGLBTASA-N 1 0 339.323 1.606 20 5 EDBDRO CN1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)Cc2cccnc21 ZINC000872318283 596879405 /nfs/dbraw/zinc/87/94/05/596879405.db2.gz PSIOPPGNSKHNRU-INIZCTEOSA-N 1 0 328.372 1.975 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000872664456 597020218 /nfs/dbraw/zinc/02/02/18/597020218.db2.gz SSDNYNICSYGSDC-LSDHHAIUSA-N 1 0 339.417 1.593 20 5 EDBDRO C[C@@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000874509952 597102513 /nfs/dbraw/zinc/10/25/13/597102513.db2.gz AWLSSDCIJAKTHO-BVIKNXMNSA-N 1 0 329.400 1.632 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000874833539 597190556 /nfs/dbraw/zinc/19/05/56/597190556.db2.gz OGJIWZQSSGNUFJ-VXGBXAGGSA-N 1 0 347.400 1.908 20 5 EDBDRO CN(CC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C)c1ccccc1[N+](=O)[O-] ZINC000874836361 597191403 /nfs/dbraw/zinc/19/14/03/597191403.db2.gz GEZVJZYGZYLREF-LSDHHAIUSA-N 1 0 332.404 1.726 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCN(CC(F)(F)F)C3)C2)c1 ZINC000876991701 597406548 /nfs/dbraw/zinc/40/65/48/597406548.db2.gz SRPAAUDGPBBBBR-KPPDAEKUSA-N 1 0 333.314 1.721 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(F)(F)F ZINC000877365903 597502296 /nfs/dbraw/zinc/50/22/96/597502296.db2.gz ICZXSJQEGHJSOP-JQWIXIFHSA-N 1 0 331.294 1.733 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C(F)(F)F ZINC000877369030 597503070 /nfs/dbraw/zinc/50/30/70/597503070.db2.gz LDFPXQDTZFXQKF-JQWIXIFHSA-N 1 0 331.294 1.733 20 5 EDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000877378104 597505035 /nfs/dbraw/zinc/50/50/35/597505035.db2.gz NYGWDVNEWYNLHA-MGPLVRAMSA-N 1 0 333.344 1.048 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCn4ccnc43)CC2)cn1 ZINC000877556620 597535024 /nfs/dbraw/zinc/53/50/24/597535024.db2.gz IHZJUEDOIOYLJV-CQSZACIVSA-N 1 0 328.376 1.890 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@]3(CO)CCc4ccccc43)C2)c1 ZINC000877610014 597541326 /nfs/dbraw/zinc/54/13/26/597541326.db2.gz QETJDABNELPEFX-JTTJXQCZSA-N 1 0 342.399 1.961 20 5 EDBDRO CN1c2ccccc2C[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1=O ZINC000877622812 597542122 /nfs/dbraw/zinc/54/21/22/597542122.db2.gz DAWJFSGFOXYXNC-SSDMNJCBSA-N 1 0 341.371 1.672 20 5 EDBDRO C[N@H+](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)C1CC1 ZINC000878414362 597600354 /nfs/dbraw/zinc/60/03/54/597600354.db2.gz KIGHHPQKTGXQDG-UHFFFAOYSA-N 1 0 335.360 1.580 20 5 EDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879576733 597640056 /nfs/dbraw/zinc/64/00/56/597640056.db2.gz TUKWWTIUXWROGY-NFAWXSAZSA-N 1 0 332.404 1.948 20 5 EDBDRO CN1CC[NH+](C2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000879592586 597648906 /nfs/dbraw/zinc/64/89/06/597648906.db2.gz MFJKUQIJKKSMLU-UHFFFAOYSA-N 1 0 336.411 1.946 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(C)CCN(C(=O)C2CCC2)CC1 ZINC000939898885 700021373 /nfs/dbraw/zinc/02/13/73/700021373.db2.gz VWPXVVNOMIONFJ-UHFFFAOYSA-N 1 0 335.408 1.599 20 5 EDBDRO Cc1cc(C(=O)NCC2CN(Cc3ccccc3[N+](=O)[O-])C2)[nH]n1 ZINC001031562712 697253986 /nfs/dbraw/zinc/25/39/86/697253986.db2.gz XELJOVHAKWXOMG-UHFFFAOYSA-N 1 0 329.360 1.488 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CC1CCN(C(=O)C2CCCC2)CC1 ZINC000997467363 703685000 /nfs/dbraw/zinc/68/50/00/703685000.db2.gz ZIQHBVOSNHPRLR-UHFFFAOYSA-N 1 0 349.435 1.847 20 5 EDBDRO Cc1ncc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)o1 ZINC000946589056 704164277 /nfs/dbraw/zinc/16/42/77/704164277.db2.gz CXLUTKHOLLBEGG-OCVGTWLNSA-N 1 0 348.403 1.319 20 5 EDBDRO COc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000997766812 704670346 /nfs/dbraw/zinc/67/03/46/704670346.db2.gz BUALTCKOAUWYCU-IAGOWNOFSA-N 1 0 347.415 1.689 20 5 EDBDRO Cn1cncc1C(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001003255382 710189700 /nfs/dbraw/zinc/18/97/00/710189700.db2.gz PIPTYKCHPXHGLD-UHFFFAOYSA-N 1 0 343.387 1.723 20 5 EDBDRO O=C(N[C@H]1CC[C@H]([NH2+]CCc2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034643102 710318897 /nfs/dbraw/zinc/31/88/97/710318897.db2.gz JVWOPYQILBDMQD-QBPKDAKJSA-N 1 0 331.416 1.911 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000052579760 214135109 /nfs/dbraw/zinc/13/51/09/214135109.db2.gz DELMRMUJNZGMMM-UHFFFAOYSA-N 1 0 343.387 1.356 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]C2CCCCC2)c1 ZINC000174314558 231175988 /nfs/dbraw/zinc/17/59/88/231175988.db2.gz LVIKXCIWWVCQPG-UHFFFAOYSA-N 1 0 327.406 1.795 20 5 EDBDRO CN1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2(CCCCC2)C1 ZINC000175060850 529773432 /nfs/dbraw/zinc/77/34/32/529773432.db2.gz ALOSWTBWROTTCF-HNNXBMFYSA-N 1 0 337.424 1.103 20 5 EDBDRO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000154754213 530033046 /nfs/dbraw/zinc/03/30/46/530033046.db2.gz SWVGBDMUUNGVGE-CQSZACIVSA-N 1 0 327.406 1.451 20 5 EDBDRO CC(C)Oc1cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000412203738 303983431 /nfs/dbraw/zinc/98/34/31/303983431.db2.gz GTIHHHXGUWIVSB-MRXNPFEDSA-N 1 0 339.392 1.424 20 5 EDBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000103113349 219256030 /nfs/dbraw/zinc/25/60/30/219256030.db2.gz CXBIRKSWLJSXNP-UHFFFAOYSA-N 1 0 345.403 1.690 20 5 EDBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180546677 233899178 /nfs/dbraw/zinc/89/91/78/233899178.db2.gz KAZYOGFPTWCGHB-IJLUTSLNSA-N 1 0 335.408 1.668 20 5 EDBDRO COC(=O)c1cc(OCc2nc(C(C)(C)[NH3+])no2)ccc1[N+](=O)[O-] ZINC000563079889 306317826 /nfs/dbraw/zinc/31/78/26/306317826.db2.gz HLXAJCYVLIMTDH-UHFFFAOYSA-N 1 0 336.304 1.537 20 5 EDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-] ZINC000563161401 306321096 /nfs/dbraw/zinc/32/10/96/306321096.db2.gz VHSLXEUDKDNFDI-SNVBAGLBSA-N 1 0 341.364 1.096 20 5 EDBDRO O=C(CN1CCc2sccc2C1)NCCn1cc([N+](=O)[O-])cn1 ZINC000129923673 138339147 /nfs/dbraw/zinc/33/91/47/138339147.db2.gz OMIDVUFRDLIIJT-UHFFFAOYSA-N 1 0 335.389 1.027 20 5 EDBDRO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2F)C1 ZINC000131956746 138368167 /nfs/dbraw/zinc/36/81/67/138368167.db2.gz AICQXEPRQBSHAV-SECBINFHSA-N 1 0 338.368 1.823 20 5 EDBDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000413824224 304078440 /nfs/dbraw/zinc/07/84/40/304078440.db2.gz WIXZIPLKNWSPCT-GFCCVEGCSA-N 1 0 346.387 1.653 20 5 EDBDRO [NH3+][C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000261939365 283617916 /nfs/dbraw/zinc/61/79/16/283617916.db2.gz MXELATYJOBODRS-SNVBAGLBSA-N 1 0 328.166 1.824 20 5 EDBDRO COc1cc(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000414496033 304120090 /nfs/dbraw/zinc/12/00/90/304120090.db2.gz HXIUHSYBBINOCR-NSHDSACASA-N 1 0 337.376 1.522 20 5 EDBDRO CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CC[NH2+]C1 ZINC000566678656 306424733 /nfs/dbraw/zinc/42/47/33/306424733.db2.gz HQCLRMWSRDINTB-AWEZNQCLSA-N 1 0 332.404 1.632 20 5 EDBDRO NC(=O)C1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000192660470 138950699 /nfs/dbraw/zinc/95/06/99/138950699.db2.gz UTFCRKCWGBJPAG-OAHLLOKOSA-N 1 0 333.388 1.844 20 5 EDBDRO COc1cc(CN[C@@H](CC[NH3+])C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000415047539 304154200 /nfs/dbraw/zinc/15/42/00/304154200.db2.gz BDDFMLXOMWDAID-LBPRGKRZSA-N 1 0 337.298 1.981 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCOC2CCCCCC2)c1 ZINC000567104563 306437862 /nfs/dbraw/zinc/43/78/62/306437862.db2.gz UMWHUGYLCDFDCB-AWEZNQCLSA-N 1 0 326.397 1.481 20 5 EDBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000195188450 139009350 /nfs/dbraw/zinc/00/93/50/139009350.db2.gz JOYBUTGMHGKBEH-INIZCTEOSA-N 1 0 332.404 1.333 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567270477 306445273 /nfs/dbraw/zinc/44/52/73/306445273.db2.gz AINRRPZMHLQRLR-KRWDZBQOSA-N 1 0 332.404 1.917 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000236722639 139029533 /nfs/dbraw/zinc/02/95/33/139029533.db2.gz BFJJQESEIGEWCD-AWEZNQCLSA-N 1 0 329.422 1.945 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC([NH3+])(CC)CC ZINC000236982856 139037059 /nfs/dbraw/zinc/03/70/59/139037059.db2.gz WVPWCKPHAOPKMQ-UHFFFAOYSA-N 1 0 329.422 1.953 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)c([N+](=O)[O-])c1 ZINC000237239687 139045545 /nfs/dbraw/zinc/04/55/45/139045545.db2.gz RFJLFSJXOWLZLU-AWEZNQCLSA-N 1 0 345.421 1.645 20 5 EDBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC2(CC[NH2+]2)CC1 ZINC000567383851 306450029 /nfs/dbraw/zinc/45/00/29/306450029.db2.gz AOVSQRYDUKSXHW-UHFFFAOYSA-N 1 0 341.371 1.749 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000237373507 139049486 /nfs/dbraw/zinc/04/94/86/139049486.db2.gz YLONLVSNEYOCIC-NEPJUHHUSA-N 1 0 344.375 1.375 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C)C[NH2+]1 ZINC000237375235 139049493 /nfs/dbraw/zinc/04/94/93/139049493.db2.gz QPRPINWSTXGZCC-VXGBXAGGSA-N 1 0 329.360 1.603 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000364733852 296190578 /nfs/dbraw/zinc/19/05/78/296190578.db2.gz NKXDKJNVHVYMSL-PHIMTYICSA-N 1 0 333.344 1.333 20 5 EDBDRO COC[C@@](C)(CCO)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000079920869 217264510 /nfs/dbraw/zinc/26/45/10/217264510.db2.gz VOYDGMCBAWPMDT-CQSZACIVSA-N 1 0 345.783 1.564 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237571803 139054413 /nfs/dbraw/zinc/05/44/13/139054413.db2.gz MZASTBBZXRSNOC-FOSCPWQOSA-N 1 0 325.390 1.465 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237621163 139056028 /nfs/dbraw/zinc/05/60/28/139056028.db2.gz VYDKVYPCCHTCDN-RAQOOLMWSA-N 1 0 346.387 1.112 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)c1C ZINC000237779432 139060086 /nfs/dbraw/zinc/06/00/86/139060086.db2.gz GODSCCYPTJJUIF-ZDUSSCGKSA-N 1 0 341.433 1.880 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000415391848 304212420 /nfs/dbraw/zinc/21/24/20/304212420.db2.gz WXWPCPNHRLUTAH-LLVKDONJSA-N 1 0 334.376 1.428 20 5 EDBDRO COC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000251940267 139203453 /nfs/dbraw/zinc/20/34/53/139203453.db2.gz UPHQYXKKOAJHIO-OLZOCXBDSA-N 1 0 337.376 1.659 20 5 EDBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000253028514 139205481 /nfs/dbraw/zinc/20/54/81/139205481.db2.gz HWQQQPVFEVRTTC-AAEUAGOBSA-N 1 0 337.376 1.218 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000261752499 139223180 /nfs/dbraw/zinc/22/31/80/139223180.db2.gz PASZQILKSOTWNP-NSHDSACASA-N 1 0 343.405 1.495 20 5 EDBDRO CCCc1n[nH]c(C(=O)NCC2(COC)CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000261791266 139226234 /nfs/dbraw/zinc/22/62/34/139226234.db2.gz UNEHMUUDQKYFDA-UHFFFAOYSA-N 1 0 339.396 1.016 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261869279 139232831 /nfs/dbraw/zinc/23/28/31/139232831.db2.gz LCCMPEBPLYJWKR-IACUBPJLSA-N 1 0 339.417 1.651 20 5 EDBDRO C[C@H]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000261882813 139233813 /nfs/dbraw/zinc/23/38/13/139233813.db2.gz UHSKTLHAKHKILK-WFASDCNBSA-N 1 0 348.403 1.301 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261932984 139238234 /nfs/dbraw/zinc/23/82/34/139238234.db2.gz JUXQWYOAKFDCJH-RYUDHWBXSA-N 1 0 327.406 1.651 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000261913380 139236396 /nfs/dbraw/zinc/23/63/96/139236396.db2.gz QMTBSQDQDGWMRZ-CQSZACIVSA-N 1 0 341.433 1.960 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000261913375 139236433 /nfs/dbraw/zinc/23/64/33/139236433.db2.gz QMTBSQDQDGWMRZ-AWEZNQCLSA-N 1 0 341.433 1.960 20 5 EDBDRO CCc1ccc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000262114547 139252104 /nfs/dbraw/zinc/25/21/04/139252104.db2.gz UZLOKVCYPYTQDT-HNNXBMFYSA-N 1 0 332.404 1.277 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000417174285 251144694 /nfs/dbraw/zinc/14/46/94/251144694.db2.gz HYBJSCQMOIEBKA-GDLCADMTSA-N 1 0 334.376 1.482 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262336192 139271125 /nfs/dbraw/zinc/27/11/25/139271125.db2.gz HGYZVFMSUBSWBG-HNNXBMFYSA-N 1 0 341.367 1.977 20 5 EDBDRO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262350082 139272353 /nfs/dbraw/zinc/27/23/53/139272353.db2.gz UIOFLJKFHUGTFH-GXFFZTMASA-N 1 0 348.384 1.028 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)NCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000417848224 251295631 /nfs/dbraw/zinc/29/56/31/251295631.db2.gz KHVZSGVBZHZAMW-ZDUSSCGKSA-N 1 0 335.408 1.169 20 5 EDBDRO O=C(NCCN1CC[NH2+]CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418305101 251358399 /nfs/dbraw/zinc/35/83/99/251358399.db2.gz ZYTXICICAPVMFE-UHFFFAOYSA-N 1 0 347.419 1.174 20 5 EDBDRO CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1(C[NH3+])CCC1 ZINC000420328479 251673240 /nfs/dbraw/zinc/67/32/40/251673240.db2.gz MPAMLNBKMKHKEV-UHFFFAOYSA-N 1 0 336.348 1.075 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420408691 251707091 /nfs/dbraw/zinc/70/70/91/251707091.db2.gz WJKNAXSWEBUGHL-OCCSQVGLSA-N 1 0 341.433 1.669 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N[C@H](C[NH3+])C2CCCC2)ccc1[N+](=O)[O-] ZINC000423960679 252108015 /nfs/dbraw/zinc/10/80/15/252108015.db2.gz NIXTXYUSEDTNCX-CQSZACIVSA-N 1 0 348.403 1.267 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000424013958 252114090 /nfs/dbraw/zinc/11/40/90/252114090.db2.gz LDBCTDUUAHTELL-SGMGOOAPSA-N 1 0 348.403 1.156 20 5 EDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424047013 252124586 /nfs/dbraw/zinc/12/45/86/252124586.db2.gz UGGCUQCAUBALGK-DDTOSNHZSA-N 1 0 337.401 1.275 20 5 EDBDRO COc1ccc(S(=O)(=O)NCC2(C)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000181226001 533058112 /nfs/dbraw/zinc/05/81/12/533058112.db2.gz WOOMDHNOUQAZLB-UHFFFAOYSA-N 1 0 343.405 1.271 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3C[NH2+]C[C@H]3O)cs2)c1 ZINC000263304802 139334572 /nfs/dbraw/zinc/33/45/72/139334572.db2.gz XQMUQUKNSHUPET-SMDDNHRTSA-N 1 0 334.401 1.388 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000112511689 220341176 /nfs/dbraw/zinc/34/11/76/220341176.db2.gz MOPSDQJMJJYXIP-HZMBPMFUSA-N 1 0 327.406 1.651 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+]CCn1cccn1 ZINC000112548187 220347130 /nfs/dbraw/zinc/34/71/30/220347130.db2.gz NVJDTAWPYWLBPN-LLVKDONJSA-N 1 0 333.348 1.417 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1([S@](C)=O)CC1 ZINC000442814666 254566091 /nfs/dbraw/zinc/56/60/91/254566091.db2.gz VHXVFZFZCUUVQP-RULNZOCKSA-N 1 0 339.417 1.813 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1[N+](=O)[O-] ZINC000415751445 304264963 /nfs/dbraw/zinc/26/49/63/304264963.db2.gz ADUSVKRRCZLJLW-BETUJISGSA-N 1 0 346.387 1.300 20 5 EDBDRO CC[N@H+](CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC1 ZINC000263687546 139352932 /nfs/dbraw/zinc/35/29/32/139352932.db2.gz GMLOYGXKKZKIME-UHFFFAOYSA-N 1 0 343.387 1.995 20 5 EDBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC000486945385 255020759 /nfs/dbraw/zinc/02/07/59/255020759.db2.gz PFFWTOUUELFKDE-RISCZKNCSA-N 1 0 341.433 1.897 20 5 EDBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000263855742 139364891 /nfs/dbraw/zinc/36/48/91/139364891.db2.gz GBCJBHVRVXCCAU-UHFFFAOYSA-N 1 0 347.379 1.732 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000490029012 255076379 /nfs/dbraw/zinc/07/63/79/255076379.db2.gz FIKUZJICEYUXJC-VIFPVBQESA-N 1 0 349.384 1.219 20 5 EDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCC[N@@H+]1CCCOCC1 ZINC000492019375 255159496 /nfs/dbraw/zinc/15/94/96/255159496.db2.gz WZBCRYRRZAFOOF-HWKANZROSA-N 1 0 337.351 1.586 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493438637 255208433 /nfs/dbraw/zinc/20/84/33/255208433.db2.gz YOFJZOYNLSMVAW-YFHOEESVSA-N 1 0 334.420 1.608 20 5 EDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000493492532 255211781 /nfs/dbraw/zinc/21/17/81/255211781.db2.gz SJVFNGYXEGXTBT-OSJSJHBBSA-N 1 0 331.372 1.181 20 5 EDBDRO C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000495041502 255266500 /nfs/dbraw/zinc/26/65/00/255266500.db2.gz FHSWXQBSEFEXEU-GRYCIOLGSA-N 1 0 327.406 1.507 20 5 EDBDRO Cc1cccc(NC[C@@H]2CCN(c3ncc([N+](=O)[O-])c(N)n3)C2)[nH+]1 ZINC000263965984 139372803 /nfs/dbraw/zinc/37/28/03/139372803.db2.gz RYMSNFWVGAEKCG-NSHDSACASA-N 1 0 329.364 1.609 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117755453 221086853 /nfs/dbraw/zinc/08/68/53/221086853.db2.gz HLRABBLOCMYIAJ-UHFFFAOYSA-N 1 0 343.811 1.875 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000118898452 221202741 /nfs/dbraw/zinc/20/27/41/221202741.db2.gz HVUHKSJQRIDBQN-GFCCVEGCSA-N 1 0 334.376 1.300 20 5 EDBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000119093368 221242148 /nfs/dbraw/zinc/24/21/48/221242148.db2.gz NHVCMUZNIZLUOY-CQSZACIVSA-N 1 0 331.376 1.977 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCC[NH2+]C1 ZINC000120213078 221515357 /nfs/dbraw/zinc/51/53/57/221515357.db2.gz QTZANFISVGATBC-JTQLQIEISA-N 1 0 342.193 1.768 20 5 EDBDRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000156160443 224560479 /nfs/dbraw/zinc/56/04/79/224560479.db2.gz QOPFDIIHZVIIAZ-IUCAKERBSA-N 1 0 333.797 1.749 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c(C)cc1[N+](=O)[O-] ZINC000570986696 306555362 /nfs/dbraw/zinc/55/53/62/306555362.db2.gz LFCLYFIRGZVVHT-RYUDHWBXSA-N 1 0 327.406 1.569 20 5 EDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](CCO)CCN1CCOCC1 ZINC000347379765 533383497 /nfs/dbraw/zinc/38/34/97/533383497.db2.gz WMHUXRHHRKJGJF-SSZFMOIBSA-N 1 0 349.431 1.625 20 5 EDBDRO COc1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000129478846 533567821 /nfs/dbraw/zinc/56/78/21/533567821.db2.gz DTHXPYMYPBQNDW-OAHLLOKOSA-N 1 0 335.404 1.758 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424366372 291991641 /nfs/dbraw/zinc/99/16/41/291991641.db2.gz YCNMWCMZFFOZED-VXGBXAGGSA-N 1 0 327.406 1.760 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000248620649 291994794 /nfs/dbraw/zinc/99/47/94/291994794.db2.gz MWLVZOGDQQBQNT-IACUBPJLSA-N 1 0 339.417 1.569 20 5 EDBDRO Cn1cc(C[NH2+]C[C@]2(O)CCSC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000267063855 139580551 /nfs/dbraw/zinc/58/05/51/139580551.db2.gz POFPVHFJSAYWJJ-MRXNPFEDSA-N 1 0 348.428 1.953 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000070120894 296499767 /nfs/dbraw/zinc/49/97/67/296499767.db2.gz FXZCQHFSTHHLAI-SNVBAGLBSA-N 1 0 333.797 1.669 20 5 EDBDRO Cc1sc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000270726458 140156396 /nfs/dbraw/zinc/15/63/96/140156396.db2.gz XNECKKJHUPDKIB-GFCCVEGCSA-N 1 0 341.433 1.931 20 5 EDBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1O ZINC000270941959 140203994 /nfs/dbraw/zinc/20/39/94/140203994.db2.gz RQJGZVDPEMHQHW-RISCZKNCSA-N 1 0 337.376 1.635 20 5 EDBDRO C[NH+](C)CC1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000332528836 141196764 /nfs/dbraw/zinc/19/67/64/141196764.db2.gz UJIHMVWZHHBYKE-UHFFFAOYSA-N 1 0 349.387 1.780 20 5 EDBDRO O=C1[C@H]([N@@H+]2CCC[C@@H](CO)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000339752610 142145430 /nfs/dbraw/zinc/14/54/30/142145430.db2.gz FHTNWRBIFMXKMS-CZUORRHYSA-N 1 0 333.388 1.795 20 5 EDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@@H+](C2CCC2)C1 ZINC000344743750 143006078 /nfs/dbraw/zinc/00/60/78/143006078.db2.gz SKAFOISLHWANIE-LLVKDONJSA-N 1 0 333.392 1.518 20 5 EDBDRO Cn1cc([C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@H]2C(N)=O)cn1 ZINC000344984439 143035282 /nfs/dbraw/zinc/03/52/82/143035282.db2.gz HPZONDWSSSUHRK-UONOGXRCSA-N 1 0 347.350 1.168 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](F)C[C@@H]1CO ZINC000346430198 143203801 /nfs/dbraw/zinc/20/38/01/143203801.db2.gz WZRSIEIEYNLBKP-WCQYABFASA-N 1 0 325.340 1.637 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(-c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)n1 ZINC000346793061 143246304 /nfs/dbraw/zinc/24/63/04/143246304.db2.gz FABMQFIQUOMYKN-GXSJLCMTSA-N 1 0 334.336 1.397 20 5 EDBDRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000347050692 143276645 /nfs/dbraw/zinc/27/66/45/143276645.db2.gz RCGYNYHWZXYNAH-OSAQELSMSA-N 1 0 338.360 1.218 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)n1 ZINC000347331616 143309749 /nfs/dbraw/zinc/30/97/49/143309749.db2.gz GVRSLIFJYKQZRL-QMTHXVAHSA-N 1 0 334.336 1.304 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000416496916 304325388 /nfs/dbraw/zinc/32/53/88/304325388.db2.gz RHEHICDGEDJOIN-GFCCVEGCSA-N 1 0 327.406 1.442 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351748341 143603377 /nfs/dbraw/zinc/60/33/77/143603377.db2.gz HRBLEZLIIYAEAI-LBPRGKRZSA-N 1 0 340.355 1.966 20 5 EDBDRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000353306641 149359734 /nfs/dbraw/zinc/35/97/34/149359734.db2.gz IIRPDKXQXIJHJQ-UHFFFAOYSA-N 1 0 329.360 1.712 20 5 EDBDRO COc1ccc(CNC(=O)N(C)CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000353374632 149384204 /nfs/dbraw/zinc/38/42/04/149384204.db2.gz YBFQQWCSZJCALI-UHFFFAOYSA-N 1 0 336.392 1.841 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000355363084 150234747 /nfs/dbraw/zinc/23/47/47/150234747.db2.gz FATDBMYWGXAJFH-HOTGVXAUSA-N 1 0 333.388 1.838 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000262799729 297109659 /nfs/dbraw/zinc/10/96/59/297109659.db2.gz VBNMDJNCKIZQBI-PSASIEDQSA-N 1 0 333.797 1.525 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000357073699 150913101 /nfs/dbraw/zinc/91/31/01/150913101.db2.gz ICPYXELSAYRDQI-AVGNSLFASA-N 1 0 348.403 1.472 20 5 EDBDRO C[NH+](C)C1(CNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC000357958660 151211228 /nfs/dbraw/zinc/21/12/28/151211228.db2.gz WCFNNBHQSIEZJP-UHFFFAOYSA-N 1 0 348.403 1.983 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC[N@@H+]1C ZINC000357974055 151217853 /nfs/dbraw/zinc/21/78/53/151217853.db2.gz LSCZVPQXMVIIDP-JSGCOSHPSA-N 1 0 348.403 1.982 20 5 EDBDRO Cc1cc[nH+]c(NC[C@H]2CCN(Cc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000370056431 155305504 /nfs/dbraw/zinc/30/55/04/155305504.db2.gz QYKYKSZCOQPNPM-CYBMUJFWSA-N 1 0 330.392 1.966 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359305570 151678271 /nfs/dbraw/zinc/67/82/71/151678271.db2.gz LNZYAPNGLQQAHP-SDDRHHMPSA-N 1 0 334.376 1.082 20 5 EDBDRO COc1ccc([C@@H]2[C@H](CNC(=O)[C@H]3C[C@H]3[N+](=O)[O-])CCC[N@@H+]2C)cc1 ZINC000360536299 152085248 /nfs/dbraw/zinc/08/52/48/152085248.db2.gz JFRIPKJRRKRUFH-QMCVQRASSA-N 1 0 347.415 1.860 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000360654678 152141501 /nfs/dbraw/zinc/14/15/01/152141501.db2.gz VPKJNSRUGBKCRL-NEPJUHHUSA-N 1 0 327.406 1.664 20 5 EDBDRO CN(C(=O)CN1CC[C@@H]2CC[N@H+](C)[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000370148812 155348697 /nfs/dbraw/zinc/34/86/97/155348697.db2.gz CMXMHNIFFKHNPC-BBRMVZONSA-N 1 0 332.404 1.584 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000417183603 304381712 /nfs/dbraw/zinc/38/17/12/304381712.db2.gz PYXHSKPIGGLTPK-TUKIKUTGSA-N 1 0 348.403 1.872 20 5 EDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000364037055 153129861 /nfs/dbraw/zinc/12/98/61/153129861.db2.gz UYOIWTLNTPSELU-IBHATUTGSA-N 1 0 345.399 1.666 20 5 EDBDRO CCc1n[nH]c(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000370222688 155385716 /nfs/dbraw/zinc/38/57/16/155385716.db2.gz MWYWZLFQSIORMU-GXTWGEPZSA-N 1 0 343.387 1.708 20 5 EDBDRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1[nH]ncc1[N+](=O)[O-] ZINC000367197927 154037714 /nfs/dbraw/zinc/03/77/14/154037714.db2.gz WFIQVAIOLHTFJJ-IMRBUKKESA-N 1 0 327.344 1.178 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000367583824 154187757 /nfs/dbraw/zinc/18/77/57/154187757.db2.gz SWROOBLBNFNQKL-ZWNOBZJWSA-N 1 0 343.380 1.449 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]C2CC(c3ccccn3)C2)cc1 ZINC000368020328 154371593 /nfs/dbraw/zinc/37/15/93/154371593.db2.gz VJWSEBMCHSDYTQ-VKYMVXLJSA-N 1 0 343.383 1.920 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000368632857 154646749 /nfs/dbraw/zinc/64/67/49/154646749.db2.gz LZSLUAZUXMDYPN-ZDUSSCGKSA-N 1 0 325.390 1.324 20 5 EDBDRO CN(C(=O)C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000372159121 156248381 /nfs/dbraw/zinc/24/83/81/156248381.db2.gz XRFGZJKNLXMKHX-KGLIPLIRSA-N 1 0 333.388 1.916 20 5 EDBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c1[N+](=O)[O-] ZINC000375961659 157701182 /nfs/dbraw/zinc/70/11/82/157701182.db2.gz CLNNZTPULKDHRY-AWEZNQCLSA-N 1 0 343.387 1.887 20 5 EDBDRO CS(=O)(=O)c1cccc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000262435343 286641598 /nfs/dbraw/zinc/64/15/98/286641598.db2.gz GIIFXZRDPZFFCE-MNOVXSKESA-N 1 0 325.390 1.044 20 5 EDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378144302 158091503 /nfs/dbraw/zinc/09/15/03/158091503.db2.gz TWWDYLJUUNHRMD-OAHLLOKOSA-N 1 0 347.419 1.230 20 5 EDBDRO COc1cc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000352544410 162241932 /nfs/dbraw/zinc/24/19/32/162241932.db2.gz AILVCIKOFIWEOH-BBRMVZONSA-N 1 0 335.404 1.756 20 5 EDBDRO C[C@H]1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C[NH3+])C1 ZINC000418083936 304456158 /nfs/dbraw/zinc/45/61/58/304456158.db2.gz NRXSHMYMRINOML-CMPLNLGQSA-N 1 0 346.391 1.740 20 5 EDBDRO C[C@H](NC(=O)NCCCN1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418237638 304468781 /nfs/dbraw/zinc/46/87/81/304468781.db2.gz VZVJRRDULNNBOP-ZDUSSCGKSA-N 1 0 335.408 1.250 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000123308376 287387148 /nfs/dbraw/zinc/38/71/48/287387148.db2.gz SJDCPEYOLROINN-CHWSQXEVSA-N 1 0 327.406 1.705 20 5 EDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000122335385 222063514 /nfs/dbraw/zinc/06/35/14/222063514.db2.gz QZLCYUHLTJDDRE-DOMZBBRYSA-N 1 0 346.387 1.476 20 5 EDBDRO C[N@H+](CCNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CC1 ZINC000272946107 273024489 /nfs/dbraw/zinc/02/44/89/273024489.db2.gz FKDQNMNASHGDHU-HNNXBMFYSA-N 1 0 332.360 1.298 20 5 EDBDRO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000273470040 268045905 /nfs/dbraw/zinc/04/59/05/268045905.db2.gz OLAOERUXHROENG-LLVKDONJSA-N 1 0 326.328 1.528 20 5 EDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273798678 268082868 /nfs/dbraw/zinc/08/28/68/268082868.db2.gz ABWXPYWSTSYVFB-INIZCTEOSA-N 1 0 341.383 1.440 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H](C)CO ZINC000274035450 268100370 /nfs/dbraw/zinc/10/03/70/268100370.db2.gz OAPJZGOQKWIPKG-DCAQKATOSA-N 1 0 325.365 1.537 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1=CC[N@H+](C)CC1 ZINC000274057398 268103061 /nfs/dbraw/zinc/10/30/61/268103061.db2.gz ZMVYIBDXZCLTPH-UHFFFAOYSA-N 1 0 339.417 1.697 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000274441482 268140155 /nfs/dbraw/zinc/14/01/55/268140155.db2.gz SOKTZIQSPWJZEK-UHFFFAOYSA-N 1 0 326.353 1.039 20 5 EDBDRO CN(C(=O)C[N@H+](CCO)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000275568413 268361680 /nfs/dbraw/zinc/36/16/80/268361680.db2.gz OMMVVGXWCCBPJQ-UHFFFAOYSA-N 1 0 337.376 1.031 20 5 EDBDRO C[C@H]1CN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1[NH+](C)C ZINC000278692363 268710621 /nfs/dbraw/zinc/71/06/21/268710621.db2.gz MZSKKUZTZIQRGK-HZMBPMFUSA-N 1 0 346.391 1.563 20 5 EDBDRO C[N@H+]1CC=C(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000273956854 273062046 /nfs/dbraw/zinc/06/20/46/273062046.db2.gz NNKQHBGVYVQNBZ-UHFFFAOYSA-N 1 0 325.390 1.276 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc([N+](=O)[O-])c1OC ZINC000274168818 273073819 /nfs/dbraw/zinc/07/38/19/273073819.db2.gz MKTJMLFKCZCFAI-MRXNPFEDSA-N 1 0 335.360 1.438 20 5 EDBDRO C[C@H](CO)[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1CCC1 ZINC000280588572 273374821 /nfs/dbraw/zinc/37/48/21/273374821.db2.gz UCDUBIUKNJLUOU-CYBMUJFWSA-N 1 0 347.415 1.967 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(C[NH+](C)C)CCC1 ZINC000281620042 273502074 /nfs/dbraw/zinc/50/20/74/273502074.db2.gz TYZHPLSNQZHNQW-UHFFFAOYSA-N 1 0 327.406 1.666 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CCC12CCC2 ZINC000281969805 273561893 /nfs/dbraw/zinc/56/18/93/273561893.db2.gz BKRXVTZDRISOBK-CQSZACIVSA-N 1 0 339.417 1.795 20 5 EDBDRO C[NH+](C)[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@@H]1O ZINC000359952390 273819532 /nfs/dbraw/zinc/81/95/32/273819532.db2.gz LZWTVPMMDSZMCO-GJZGRUSLSA-N 1 0 328.372 1.768 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000283911461 274007661 /nfs/dbraw/zinc/00/76/61/274007661.db2.gz JODYGNIUBAXIFN-CYBMUJFWSA-N 1 0 337.376 1.396 20 5 EDBDRO CC[C@H](CO)[NH+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000283988713 274038994 /nfs/dbraw/zinc/03/89/94/274038994.db2.gz JOBSJDXSKMJFBI-LLVKDONJSA-N 1 0 329.347 1.762 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000284193137 274111693 /nfs/dbraw/zinc/11/16/93/274111693.db2.gz STYBXNPOHHVQEW-KBPBESRZSA-N 1 0 335.360 1.149 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[C@H]2C1 ZINC000284540084 274238169 /nfs/dbraw/zinc/23/81/69/274238169.db2.gz LPJSGTPFNLHJIX-HOTGVXAUSA-N 1 0 346.387 1.389 20 5 EDBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000285462225 274551543 /nfs/dbraw/zinc/55/15/43/274551543.db2.gz JVESBJWITYXKEF-VXGBXAGGSA-N 1 0 347.462 1.854 20 5 EDBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000420261463 275038768 /nfs/dbraw/zinc/03/87/68/275038768.db2.gz PIOYBJURBALBPB-OAHLLOKOSA-N 1 0 327.388 1.627 20 5 EDBDRO CC(C)[C@@](C)(CO)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000352888058 276008783 /nfs/dbraw/zinc/00/87/83/276008783.db2.gz ZFRBFCLUIAEGOD-MRXNPFEDSA-N 1 0 337.376 1.889 20 5 EDBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000173996084 276115026 /nfs/dbraw/zinc/11/50/26/276115026.db2.gz CUYMIZWREXYAIO-LLVKDONJSA-N 1 0 345.396 1.839 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000178943475 276118088 /nfs/dbraw/zinc/11/80/88/276118088.db2.gz UQRIRYSWAFDEPZ-CYBMUJFWSA-N 1 0 343.449 1.787 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000077389461 276130985 /nfs/dbraw/zinc/13/09/85/276130985.db2.gz QHKNEKSVWNDQBW-UHFFFAOYSA-N 1 0 327.406 1.666 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000117923523 276803541 /nfs/dbraw/zinc/80/35/41/276803541.db2.gz JUMIISPIAKKTMI-SNVBAGLBSA-N 1 0 331.369 1.306 20 5 EDBDRO CC(C)(C(=O)N[C@@H](CO)C[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000413799231 277125079 /nfs/dbraw/zinc/12/50/79/277125079.db2.gz NJLVENQGRFFHBG-CQSZACIVSA-N 1 0 349.431 1.835 20 5 EDBDRO CC(C)NC(=O)c1ccc(N2CCCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420270093 277661202 /nfs/dbraw/zinc/66/12/02/277661202.db2.gz ISPJJGWRVPLUEB-ZDUSSCGKSA-N 1 0 336.392 1.287 20 5 EDBDRO C[C@@H](C[NH+](C)C)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000286580642 288038661 /nfs/dbraw/zinc/03/86/61/288038661.db2.gz YGYXPPSKJYKRPF-QMMMGPOBSA-N 1 0 337.348 1.953 20 5 EDBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000286991338 288132257 /nfs/dbraw/zinc/13/22/57/288132257.db2.gz JZYXBTFLONQONE-STQMWFEESA-N 1 0 336.396 1.060 20 5 EDBDRO C[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C[NH+]1CCOCC1 ZINC000287122183 288160879 /nfs/dbraw/zinc/16/08/79/288160879.db2.gz CTRCZLKULITNRF-NSHDSACASA-N 1 0 347.375 1.624 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000237510117 280259608 /nfs/dbraw/zinc/25/96/08/280259608.db2.gz FFWICHACHNZLMV-GWCFXTLKSA-N 1 0 327.406 1.651 20 5 EDBDRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000369408000 281184271 /nfs/dbraw/zinc/18/42/71/281184271.db2.gz JDMXAERAYBSJRJ-QWHCGFSZSA-N 1 0 335.408 1.726 20 5 EDBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000288176027 288423147 /nfs/dbraw/zinc/42/31/47/288423147.db2.gz DQSSRFPUVZOUGH-NSHDSACASA-N 1 0 325.340 1.311 20 5 EDBDRO CCc1ccc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000289162225 288642291 /nfs/dbraw/zinc/64/22/91/288642291.db2.gz HARFPUYYJOHWKQ-HNNXBMFYSA-N 1 0 332.404 1.277 20 5 EDBDRO CN(C(=O)C[N@@H+]1CC[C@@H](O)C12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000292603476 289392925 /nfs/dbraw/zinc/39/29/25/289392925.db2.gz DWARSNIPLGJVMM-OAHLLOKOSA-N 1 0 333.388 1.937 20 5 EDBDRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000337286843 295532242 /nfs/dbraw/zinc/53/22/42/295532242.db2.gz MPIZWSTWITVARB-WDEREUQCSA-N 1 0 333.435 1.464 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000419272456 304585227 /nfs/dbraw/zinc/58/52/27/304585227.db2.gz PQFKGDCUYVTCLV-MBNYWOFBSA-N 1 0 348.403 1.276 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420378217 304753671 /nfs/dbraw/zinc/75/36/71/304753671.db2.gz LTDZPSCHBSQWMW-RYUDHWBXSA-N 1 0 336.392 1.459 20 5 EDBDRO C[NH2+]CCN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420430016 304757293 /nfs/dbraw/zinc/75/72/93/304757293.db2.gz BUTFBESRQBUZIN-UHFFFAOYSA-N 1 0 341.311 1.454 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)c1[N+](=O)[O-] ZINC000420448326 304759981 /nfs/dbraw/zinc/75/99/81/304759981.db2.gz LCCJATSSMMSOSF-GFCCVEGCSA-N 1 0 327.406 1.632 20 5 EDBDRO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000420473812 304762966 /nfs/dbraw/zinc/76/29/66/304762966.db2.gz VAYQBNOYXNQVRB-MNOVXSKESA-N 1 0 343.405 1.399 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000293786057 303018539 /nfs/dbraw/zinc/01/85/39/303018539.db2.gz WMEHZTPZLVBABN-NSHDSACASA-N 1 0 335.408 1.583 20 5 EDBDRO CN(C)c1cc(F)c(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000294753164 303143327 /nfs/dbraw/zinc/14/33/27/303143327.db2.gz AOQKNKQCOSILME-NSHDSACASA-N 1 0 338.383 1.824 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CCC[C@@H](O)[C@H]2C)c([N+](=O)[O-])c1 ZINC000296141939 303298502 /nfs/dbraw/zinc/29/85/02/303298502.db2.gz JRQGVJWLJVIDCS-IAQYHMDHSA-N 1 0 337.376 1.777 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)n1 ZINC000297220444 303374583 /nfs/dbraw/zinc/37/45/83/303374583.db2.gz NZIJIVLDTREEPH-STQMWFEESA-N 1 0 347.350 1.424 20 5 EDBDRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000044528902 303402763 /nfs/dbraw/zinc/40/27/63/303402763.db2.gz QJHKCGYAGUDLCE-VIFPVBQESA-N 1 0 333.797 1.608 20 5 EDBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccc(F)cc1 ZINC000298758552 303552949 /nfs/dbraw/zinc/55/29/49/303552949.db2.gz WWCOTFUIRFZHAT-AWEZNQCLSA-N 1 0 347.350 1.943 20 5 EDBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]1 ZINC000178752075 303586740 /nfs/dbraw/zinc/58/67/40/303586740.db2.gz NOQGPNOVMPOAJT-LLVKDONJSA-N 1 0 327.768 1.885 20 5 EDBDRO C[NH+](C)[C@H]1CCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000301143147 303663028 /nfs/dbraw/zinc/66/30/28/303663028.db2.gz DKALHGMJUAVXOY-AWEZNQCLSA-N 1 0 348.403 1.208 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@H]2C[NH2+]CCC2(F)F)n1 ZINC000423466548 304896991 /nfs/dbraw/zinc/89/69/91/304896991.db2.gz ASDXCADJWAPBLH-TUAOUCFPSA-N 1 0 329.351 1.862 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000423688139 304904191 /nfs/dbraw/zinc/90/41/91/304904191.db2.gz ATQBMCXXLRDLOB-TZMCWYRMSA-N 1 0 348.403 1.267 20 5 EDBDRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423717335 304905475 /nfs/dbraw/zinc/90/54/75/304905475.db2.gz AQGALVXGCQUTGF-INIZCTEOSA-N 1 0 348.403 1.185 20 5 EDBDRO C[C@]([NH3+])(C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000423824882 304910580 /nfs/dbraw/zinc/91/05/80/304910580.db2.gz KBQPWSHQIGNJEV-QGZVFWFLSA-N 1 0 326.356 1.749 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000424015554 304924962 /nfs/dbraw/zinc/92/49/62/304924962.db2.gz CEZVFZIINUARPG-SNVBAGLBSA-N 1 0 347.293 1.803 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)n1 ZINC000424036346 304925891 /nfs/dbraw/zinc/92/58/91/304925891.db2.gz DSJWUORMPCRQSC-AWEZNQCLSA-N 1 0 335.408 1.661 20 5 EDBDRO CCN(CCC[NH+](C)C)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000425258605 304957621 /nfs/dbraw/zinc/95/76/21/304957621.db2.gz UDEDQCYTPPKDEA-UHFFFAOYSA-N 1 0 330.410 1.020 20 5 EDBDRO C[C@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000428981901 305021528 /nfs/dbraw/zinc/02/15/28/305021528.db2.gz RSMNSAPIGIGPLZ-NWDGAFQWSA-N 1 0 349.387 1.413 20 5 EDBDRO CCCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000430955854 305070689 /nfs/dbraw/zinc/07/06/89/305070689.db2.gz BAYMCWDMFXHYTJ-GFCCVEGCSA-N 1 0 336.392 1.616 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[C@H](C[NH2+]C)C2)c([N+](=O)[O-])c1 ZINC000430968075 305071711 /nfs/dbraw/zinc/07/17/11/305071711.db2.gz WSJXJMLRDWPBNN-GFCCVEGCSA-N 1 0 336.392 1.473 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000440437341 305206709 /nfs/dbraw/zinc/20/67/09/305206709.db2.gz CEANHPOGNRHXCQ-MFKMUULPSA-N 1 0 327.406 1.515 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000440851850 305213401 /nfs/dbraw/zinc/21/34/01/305213401.db2.gz WLNHTUOCNUDKRJ-BDAKNGLRSA-N 1 0 347.368 1.100 20 5 EDBDRO C[N@H+](CCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])C1CC1 ZINC000447810948 305285961 /nfs/dbraw/zinc/28/59/61/305285961.db2.gz BYGGOSODJKIUMI-UHFFFAOYSA-N 1 0 334.420 1.933 20 5 EDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[N@H+](C)C1CC1 ZINC000448891565 305302954 /nfs/dbraw/zinc/30/29/54/305302954.db2.gz UFHWGTSWWWMWOI-LBPRGKRZSA-N 1 0 343.387 1.993 20 5 EDBDRO COc1cc(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000448915041 305303976 /nfs/dbraw/zinc/30/39/76/305303976.db2.gz ZHUUTRMVROSSNZ-JTQLQIEISA-N 1 0 325.340 1.766 20 5 EDBDRO COC(=O)c1cn(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])nn1 ZINC000449310822 305310899 /nfs/dbraw/zinc/31/08/99/305310899.db2.gz IODCSXIWHUDGIN-LLVKDONJSA-N 1 0 333.348 1.194 20 5 EDBDRO CNS(=O)(=O)CCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451552648 305353055 /nfs/dbraw/zinc/35/30/55/305353055.db2.gz WWISWOYLYYXTHR-AWEZNQCLSA-N 1 0 341.433 1.714 20 5 EDBDRO COc1ccc(NC(=O)CCN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451632342 305357577 /nfs/dbraw/zinc/35/75/77/305357577.db2.gz ONRROYHAFOPUGY-BLLLJJGKSA-N 1 0 348.403 1.568 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1COCC1(C)C ZINC000451809723 305370496 /nfs/dbraw/zinc/37/04/96/305370496.db2.gz NIGGBWZWQQCIQQ-AWEZNQCLSA-N 1 0 337.376 1.947 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H](CCCO)C1 ZINC000452120205 305384090 /nfs/dbraw/zinc/38/40/90/305384090.db2.gz LURUMPMCTHVADL-ZDUSSCGKSA-N 1 0 349.387 1.987 20 5 EDBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000452352626 305391745 /nfs/dbraw/zinc/39/17/45/305391745.db2.gz SGDDLVHZCXGXCH-ZDUSSCGKSA-N 1 0 346.387 1.653 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1CC[NH+](C2CC2)CC1 ZINC000046033873 441070082 /nfs/dbraw/zinc/07/00/82/441070082.db2.gz IMUYQFVZQVFJNN-UHFFFAOYSA-N 1 0 339.417 1.808 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000057720786 441131440 /nfs/dbraw/zinc/13/14/40/441131440.db2.gz GDUNUXWMOUDKKB-NWDGAFQWSA-N 1 0 348.403 1.312 20 5 EDBDRO C[C@@H]1CCCN1C(=O)CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665006 441248051 /nfs/dbraw/zinc/24/80/51/441248051.db2.gz RQBXSVUKJPDXBY-KGLIPLIRSA-N 1 0 347.419 1.877 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NCCC[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000061547988 441277389 /nfs/dbraw/zinc/27/73/89/441277389.db2.gz YRXOOOMKBJMRNL-UHFFFAOYSA-N 1 0 349.387 1.987 20 5 EDBDRO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000081553957 441287483 /nfs/dbraw/zinc/28/74/83/441287483.db2.gz OUDNZFDLLFBWIV-SECBINFHSA-N 1 0 342.783 1.501 20 5 EDBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000081996424 441329942 /nfs/dbraw/zinc/32/99/42/441329942.db2.gz YBJMLQWZHFQCNF-UHFFFAOYSA-N 1 0 325.365 1.807 20 5 EDBDRO CN1CCC([NH+]2CCC(NC(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)CC1 ZINC000050800620 441389581 /nfs/dbraw/zinc/38/95/81/441389581.db2.gz LSFSRRSXTMVIQO-UHFFFAOYSA-N 1 0 335.408 1.211 20 5 EDBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C)C2)CC1 ZINC000106804822 441373480 /nfs/dbraw/zinc/37/34/80/441373480.db2.gz JHDRPERHFSGMOS-MRXNPFEDSA-N 1 0 346.431 1.755 20 5 EDBDRO C[NH+]1CCC(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000065996829 441499229 /nfs/dbraw/zinc/49/92/29/441499229.db2.gz IPYWFXWGKHBEEZ-UHFFFAOYSA-N 1 0 327.406 1.752 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000108406785 441452071 /nfs/dbraw/zinc/45/20/71/441452071.db2.gz DBQXUAHZZGVZJP-LBPRGKRZSA-N 1 0 327.406 1.523 20 5 EDBDRO CC(C)C[NH+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000053420591 441521026 /nfs/dbraw/zinc/52/10/26/441521026.db2.gz FDRLSRLGKJVUNM-MRXNPFEDSA-N 1 0 337.420 1.608 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000053236999 441507271 /nfs/dbraw/zinc/50/72/71/441507271.db2.gz BWJGFQVRTRWNBF-UHFFFAOYSA-N 1 0 348.403 1.570 20 5 EDBDRO CC[NH+](CC)[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)CC(C)C ZINC000112914956 441566696 /nfs/dbraw/zinc/56/66/96/441566696.db2.gz FGPFTDIAZDHNOI-CYBMUJFWSA-N 1 0 325.413 1.664 20 5 EDBDRO COC[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000112991331 441574947 /nfs/dbraw/zinc/57/49/47/441574947.db2.gz KDFYWYWFOAZNNW-CYBMUJFWSA-N 1 0 333.388 1.842 20 5 EDBDRO CC[C@H](C)[C@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015404 441614880 /nfs/dbraw/zinc/61/48/80/441614880.db2.gz YAHTWSFPNBZYQU-RYUDHWBXSA-N 1 0 329.422 1.897 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000067209208 441617947 /nfs/dbraw/zinc/61/79/47/441617947.db2.gz KZNNLZNWNYPBTI-CQSZACIVSA-N 1 0 343.387 1.619 20 5 EDBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000041631000 441665572 /nfs/dbraw/zinc/66/55/72/441665572.db2.gz CQIMRHZHGXWQOR-UHFFFAOYSA-N 1 0 327.406 1.748 20 5 EDBDRO Cc1ccc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000114142405 441637226 /nfs/dbraw/zinc/63/72/26/441637226.db2.gz HISLDOPETJAIMR-UHFFFAOYSA-N 1 0 348.447 1.907 20 5 EDBDRO COC(=O)c1cc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000055539108 441654041 /nfs/dbraw/zinc/65/40/41/441654041.db2.gz PQJFRYUEXLWOLH-GFCCVEGCSA-N 1 0 349.387 1.843 20 5 EDBDRO O=[N+]([O-])c1cc(F)ccc1NCCCC[NH+]1CCN(CCO)CC1 ZINC000114450910 441657593 /nfs/dbraw/zinc/65/75/93/441657593.db2.gz XDAZKXSXNZKAME-UHFFFAOYSA-N 1 0 340.399 1.536 20 5 EDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000158223196 441707858 /nfs/dbraw/zinc/70/78/58/441707858.db2.gz VKCCPFUXYSPMCG-MRXNPFEDSA-N 1 0 331.376 1.884 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000121480572 441715293 /nfs/dbraw/zinc/71/52/93/441715293.db2.gz NGCSSVDNGPRQKD-GFCCVEGCSA-N 1 0 334.376 1.361 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114643620 441671632 /nfs/dbraw/zinc/67/16/32/441671632.db2.gz MLEYMKIEDWHMRX-OAHLLOKOSA-N 1 0 343.387 1.572 20 5 EDBDRO Cc1ccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000042582161 441754515 /nfs/dbraw/zinc/75/45/15/441754515.db2.gz DANMFVHXXNNDIR-KRWDZBQOSA-N 1 0 348.447 1.905 20 5 EDBDRO CCC[N@@H+](CC(=O)N(C)C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000056510919 441720658 /nfs/dbraw/zinc/72/06/58/441720658.db2.gz REOWFIACZCLUDJ-CQSZACIVSA-N 1 0 339.392 1.135 20 5 EDBDRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)CCO1 ZINC000068095705 441728541 /nfs/dbraw/zinc/72/85/41/441728541.db2.gz SKVHAXFETVIEHI-LBPRGKRZSA-N 1 0 348.403 1.502 20 5 EDBDRO CN1CC[NH+](C[C@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000077450583 441782801 /nfs/dbraw/zinc/78/28/01/441782801.db2.gz BJWHRQHLGDPDIW-OAHLLOKOSA-N 1 0 346.431 1.694 20 5 EDBDRO COc1cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000159204636 441794875 /nfs/dbraw/zinc/79/48/75/441794875.db2.gz XQPJABRNOOCYQI-UHFFFAOYSA-N 1 0 342.355 1.961 20 5 EDBDRO COc1cc(OCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000160269769 441869456 /nfs/dbraw/zinc/86/94/56/441869456.db2.gz CDLXXCGMFISBMG-TXEJJXNPSA-N 1 0 335.360 1.335 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150747321 441941020 /nfs/dbraw/zinc/94/10/20/441941020.db2.gz NRFUFVGTKMVWCQ-HNNXBMFYSA-N 1 0 349.435 1.967 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000125169878 441992292 /nfs/dbraw/zinc/99/22/92/441992292.db2.gz AWWMLMUOBVAWAR-RYUDHWBXSA-N 1 0 327.406 1.705 20 5 EDBDRO O=C(CN1CCN(c2cc[nH+]cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000161305186 441982865 /nfs/dbraw/zinc/98/28/65/441982865.db2.gz IHSFCSXLCYUMLR-UHFFFAOYSA-N 1 0 341.371 1.751 20 5 EDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1(C(N)=O)CCCC1 ZINC000120092120 442005720 /nfs/dbraw/zinc/00/57/20/442005720.db2.gz QWOWQRCBRDTVPT-ZDUSSCGKSA-N 1 0 337.376 1.064 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000175193534 442015176 /nfs/dbraw/zinc/01/51/76/442015176.db2.gz GFHKZEYUBNQCLU-UHFFFAOYSA-N 1 0 334.376 1.643 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[N@@H+](C)CC1 ZINC000162028670 442058473 /nfs/dbraw/zinc/05/84/73/442058473.db2.gz QSVVFYYPVJVCLW-UHFFFAOYSA-N 1 0 334.376 1.314 20 5 EDBDRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000151806283 442123183 /nfs/dbraw/zinc/12/31/83/442123183.db2.gz MCIWOYYHAASPGW-CYBMUJFWSA-N 1 0 341.433 1.746 20 5 EDBDRO CSc1ccc(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000163195947 442149767 /nfs/dbraw/zinc/14/97/67/442149767.db2.gz TVWRTEOAXOUSAH-CABZTGNLSA-N 1 0 325.390 1.505 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000176054471 442167444 /nfs/dbraw/zinc/16/74/44/442167444.db2.gz XNPJQBVUDRFDQR-NSHDSACASA-N 1 0 345.396 1.805 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000152334344 442198947 /nfs/dbraw/zinc/19/89/47/442198947.db2.gz ONAJTODPRXOLGG-UHFFFAOYSA-N 1 0 340.336 1.201 20 5 EDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000176246773 442199950 /nfs/dbraw/zinc/19/99/50/442199950.db2.gz PWINCZPPKVMFGK-OAHLLOKOSA-N 1 0 343.387 1.919 20 5 EDBDRO NC(=O)CC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000170737944 442255305 /nfs/dbraw/zinc/25/53/05/442255305.db2.gz KEFTUESNOQYZPO-LBPRGKRZSA-N 1 0 349.387 1.939 20 5 EDBDRO CC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1C[C@@H](C)O ZINC000176936591 442275578 /nfs/dbraw/zinc/27/55/78/442275578.db2.gz YSNQABQSPJFLNV-NEPJUHHUSA-N 1 0 336.392 1.094 20 5 EDBDRO Cc1c(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000153778080 442302090 /nfs/dbraw/zinc/30/20/90/442302090.db2.gz MMMITPOSEINZJO-GFCCVEGCSA-N 1 0 334.376 1.300 20 5 EDBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000154609412 442347731 /nfs/dbraw/zinc/34/77/31/442347731.db2.gz WNPNXNINFCTBKF-QMMMGPOBSA-N 1 0 347.318 1.790 20 5 EDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000131500361 442373074 /nfs/dbraw/zinc/37/30/74/442373074.db2.gz UOSZGPDEOVVWIR-WDEREUQCSA-N 1 0 343.181 1.272 20 5 EDBDRO CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000155419491 442397208 /nfs/dbraw/zinc/39/72/08/442397208.db2.gz XSCGBLDUTYBLJK-DGCLKSJQSA-N 1 0 336.392 1.203 20 5 EDBDRO COc1cc(CCNC(=O)c2ccc(C[NH3+])o2)c([N+](=O)[O-])cc1OC ZINC000178348815 442426171 /nfs/dbraw/zinc/42/61/71/442426171.db2.gz BYXQYZKJSNGIGW-UHFFFAOYSA-N 1 0 349.343 1.636 20 5 EDBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000191670436 442487334 /nfs/dbraw/zinc/48/73/34/442487334.db2.gz IHFHXXFROFWZGH-LSDHHAIUSA-N 1 0 326.397 1.025 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000156453986 442482781 /nfs/dbraw/zinc/48/27/81/442482781.db2.gz CSXYQAHMFOSXHA-GHMZBOCLSA-N 1 0 344.371 1.636 20 5 EDBDRO Cc1nn(CCC(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)c(C)c1[N+](=O)[O-] ZINC000186547911 442558305 /nfs/dbraw/zinc/55/83/05/442558305.db2.gz NNANOVOJQQDPLV-ZDUSSCGKSA-N 1 0 335.408 1.541 20 5 EDBDRO C[NH2+]C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 ZINC000178952412 442536673 /nfs/dbraw/zinc/53/66/73/442536673.db2.gz GBZSRZIKNYXNML-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000178999329 442549449 /nfs/dbraw/zinc/54/94/49/442549449.db2.gz GOFLBDQXEKKWAC-LBPRGKRZSA-N 1 0 329.360 1.462 20 5 EDBDRO Cc1cc(S(=O)(=O)NCCC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000173088018 442601553 /nfs/dbraw/zinc/60/15/53/442601553.db2.gz UUTIBZZVOXSAFF-UHFFFAOYSA-N 1 0 341.433 1.913 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1OC ZINC000192470348 442650845 /nfs/dbraw/zinc/65/08/45/442650845.db2.gz BPFYWHPDLGMNRW-TXEJJXNPSA-N 1 0 349.387 1.636 20 5 EDBDRO Cc1cnc(CC[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000157857452 442620596 /nfs/dbraw/zinc/62/05/96/442620596.db2.gz NHDRXAAHYJVMSQ-GFCCVEGCSA-N 1 0 325.394 1.092 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000173243565 442631705 /nfs/dbraw/zinc/63/17/05/442631705.db2.gz LUTMTXDTQVXASQ-DOMZBBRYSA-N 1 0 341.433 1.697 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000192923227 442698467 /nfs/dbraw/zinc/69/84/67/442698467.db2.gz CZQVMNNDKSIHQH-TXEJJXNPSA-N 1 0 325.390 1.085 20 5 EDBDRO C[NH+](C)Cc1cccc(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c1 ZINC000188165215 442719339 /nfs/dbraw/zinc/71/93/39/442719339.db2.gz XAKSSEWDWMGTHE-UHFFFAOYSA-N 1 0 330.344 1.687 20 5 EDBDRO CCOC(=O)c1ccnc(N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000246586917 442794773 /nfs/dbraw/zinc/79/47/73/442794773.db2.gz PAONWHBGEQFUDP-DGCLKSJQSA-N 1 0 336.392 1.943 20 5 EDBDRO O=C(NCCC[NH+]1CCCC1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000182628130 442798088 /nfs/dbraw/zinc/79/80/88/442798088.db2.gz AGISNNXYMGVZBT-INIZCTEOSA-N 1 0 346.387 1.690 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246709319 442806101 /nfs/dbraw/zinc/80/61/01/442806101.db2.gz ZVXBMFBVFMSVFD-TZMCWYRMSA-N 1 0 341.433 1.864 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[N@@H+]1C1CC1 ZINC000182350324 442759141 /nfs/dbraw/zinc/75/91/41/442759141.db2.gz TUPMCOGPHBCBIM-KOLCDFICSA-N 1 0 333.344 1.679 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000188631904 442774552 /nfs/dbraw/zinc/77/45/52/442774552.db2.gz FJCNWLWPRQKFFU-UHFFFAOYSA-N 1 0 339.392 1.610 20 5 EDBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193733616 442776477 /nfs/dbraw/zinc/77/64/77/442776477.db2.gz VELVPUHOICSUFR-UHFFFAOYSA-N 1 0 345.359 1.294 20 5 EDBDRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194158956 442854364 /nfs/dbraw/zinc/85/43/64/442854364.db2.gz NMUCDMHOUBCPES-LBPRGKRZSA-N 1 0 327.406 1.748 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)C1CCCCC1 ZINC000183370145 442925647 /nfs/dbraw/zinc/92/56/47/442925647.db2.gz UIOGPZHAHWACMP-AWEZNQCLSA-N 1 0 335.408 1.812 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000268298274 442937893 /nfs/dbraw/zinc/93/78/93/442937893.db2.gz NYHGVHLBXHXGQP-HZMBPMFUSA-N 1 0 334.376 1.250 20 5 EDBDRO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH+](C)C ZINC000268309341 442942067 /nfs/dbraw/zinc/94/20/67/442942067.db2.gz YXONXMTXAKRPFJ-CABZTGNLSA-N 1 0 331.369 1.305 20 5 EDBDRO COc1cc[nH+]c(N2CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC2)c1 ZINC000294687523 318619138 /nfs/dbraw/zinc/61/91/38/318619138.db2.gz UKSFFHPTGVRROS-UHFFFAOYSA-N 1 0 336.392 1.574 20 5 EDBDRO COc1cc(C(=O)NCC(C)(C)[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000266104987 443018849 /nfs/dbraw/zinc/01/88/49/443018849.db2.gz UJKKVAYTJRWPCQ-UHFFFAOYSA-N 1 0 325.365 1.682 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000266195952 443053421 /nfs/dbraw/zinc/05/34/21/443053421.db2.gz NTMKHZASMGCHPO-XHDPSFHLSA-N 1 0 344.375 1.198 20 5 EDBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184722533 443066869 /nfs/dbraw/zinc/06/68/69/443066869.db2.gz ONTKREXOECKDNT-UHFFFAOYSA-N 1 0 329.422 1.697 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000268884702 443137108 /nfs/dbraw/zinc/13/71/08/443137108.db2.gz WZFBZWRUVNKQEJ-HNNXBMFYSA-N 1 0 348.403 1.346 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000237205719 443164467 /nfs/dbraw/zinc/16/44/67/443164467.db2.gz FFAMRKSIEDFGLJ-JTQLQIEISA-N 1 0 329.378 1.024 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000237207293 443164548 /nfs/dbraw/zinc/16/45/48/443164548.db2.gz UTZDUCQEAFDUFJ-ZDUSSCGKSA-N 1 0 341.433 1.832 20 5 EDBDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000185227086 443164849 /nfs/dbraw/zinc/16/48/49/443164849.db2.gz ZMNNPSZOSCEJHA-UHFFFAOYSA-N 1 0 327.406 1.451 20 5 EDBDRO COc1cc(CNc2cnn(CC[NH+](C)C)c2)c([N+](=O)[O-])cc1OC ZINC000237292150 443167975 /nfs/dbraw/zinc/16/79/75/443167975.db2.gz YTKUEMJQBURJFY-UHFFFAOYSA-N 1 0 349.391 1.982 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000261887351 443173469 /nfs/dbraw/zinc/17/34/69/443173469.db2.gz NIIUCIJAFRLILN-OLZOCXBDSA-N 1 0 339.417 1.442 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185285213 443176234 /nfs/dbraw/zinc/17/62/34/443176234.db2.gz XYOZYCKWIAJYED-LBPRGKRZSA-N 1 0 341.383 1.922 20 5 EDBDRO [NH3+]C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000269169614 443220210 /nfs/dbraw/zinc/22/02/10/443220210.db2.gz STUSPAONYJFCTP-SSDOTTSWSA-N 1 0 346.156 1.917 20 5 EDBDRO COc1cc(C(=O)N[C@@](C)(C[NH3+])C(C)C)c([N+](=O)[O-])cc1OC ZINC000322689580 318941806 /nfs/dbraw/zinc/94/18/06/318941806.db2.gz IZINJEFNDADPBH-HNNXBMFYSA-N 1 0 325.365 1.715 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000262507630 443198924 /nfs/dbraw/zinc/19/89/24/443198924.db2.gz MQENIDATQFPTNB-ONGXEEELSA-N 1 0 329.353 1.106 20 5 EDBDRO COc1cc(C(=O)NCC[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000269151667 443214050 /nfs/dbraw/zinc/21/40/50/443214050.db2.gz BNNXKQREYWJXSU-ZETCQYMHSA-N 1 0 333.291 1.672 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000350391643 319048414 /nfs/dbraw/zinc/04/84/14/319048414.db2.gz NKUODNFCRTXDQK-WFASDCNBSA-N 1 0 333.348 1.909 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397421560 319134785 /nfs/dbraw/zinc/13/47/85/319134785.db2.gz VEQIJZLDAWHHQA-WXHSDQCUSA-N 1 0 341.433 1.897 20 5 EDBDRO C[C@@H]1c2nncn2CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411625080 319190395 /nfs/dbraw/zinc/19/03/95/319190395.db2.gz VOOXBRFNXIYIDP-LLVKDONJSA-N 1 0 330.348 1.592 20 5 EDBDRO O=C(CC[NH2+][C@H](CO)[C@@H]1CCCOC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411995534 319219751 /nfs/dbraw/zinc/21/97/51/319219751.db2.gz QCUMOTOADPNXQU-IUODEOHRSA-N 1 0 337.376 1.301 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC1CC[NH+](C)CC1 ZINC000269258389 443255313 /nfs/dbraw/zinc/25/53/13/443255313.db2.gz AXCFUJHDIZOBLA-UHFFFAOYSA-N 1 0 347.824 1.929 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000415824703 319375181 /nfs/dbraw/zinc/37/51/81/319375181.db2.gz WMCGZCWDDQTGGD-UHFFFAOYSA-N 1 0 334.376 1.306 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415838935 319377058 /nfs/dbraw/zinc/37/70/58/319377058.db2.gz DRBGLKWUWHCWTQ-WCQYABFASA-N 1 0 348.403 1.539 20 5 EDBDRO [NH3+]CC[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000416000153 319388946 /nfs/dbraw/zinc/38/89/46/319388946.db2.gz XQYOPPKDCFUSKH-NSHDSACASA-N 1 0 334.298 1.716 20 5 EDBDRO C[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000266869032 443273064 /nfs/dbraw/zinc/27/30/64/443273064.db2.gz MNLJDPMPQKBGCJ-DGCLKSJQSA-N 1 0 327.406 1.669 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCC1CC[NH+](C2CC2)CC1 ZINC000278399579 443319266 /nfs/dbraw/zinc/31/92/66/443319266.db2.gz QYSZQNGCCGSSFJ-UHFFFAOYSA-N 1 0 333.388 1.964 20 5 EDBDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000272455403 443324670 /nfs/dbraw/zinc/32/46/70/443324670.db2.gz KKOASJPDLILXDF-LBPRGKRZSA-N 1 0 329.422 1.397 20 5 EDBDRO O=C(N[C@H]1CCCC[NH2+]C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418368691 319500093 /nfs/dbraw/zinc/50/00/93/319500093.db2.gz MKDADEMEIVGXBO-AWEZNQCLSA-N 1 0 347.419 1.569 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272497041 443340790 /nfs/dbraw/zinc/34/07/90/443340790.db2.gz WOELTOYSOYIEMT-DZGCQCFKSA-N 1 0 339.417 1.451 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000269372340 443296549 /nfs/dbraw/zinc/29/65/49/443296549.db2.gz UIFQYWREOAIORE-NSHDSACASA-N 1 0 331.369 1.449 20 5 EDBDRO C[C@@H](C(=O)Nc1ncccn1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282567627 443376711 /nfs/dbraw/zinc/37/67/11/443376711.db2.gz ZEWBXIWSVIQEQH-LBPRGKRZSA-N 1 0 329.360 1.886 20 5 EDBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264611945 443347052 /nfs/dbraw/zinc/34/70/52/443347052.db2.gz IJDGABFWRAFYOT-UHFFFAOYSA-N 1 0 334.420 1.233 20 5 EDBDRO CC[C@@H](NC(=O)C(=O)N1CCC([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000419160450 319564980 /nfs/dbraw/zinc/56/49/80/319564980.db2.gz HIHYJFAPIJVDPE-CQSZACIVSA-N 1 0 334.376 1.112 20 5 EDBDRO C[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420428966 319617358 /nfs/dbraw/zinc/61/73/58/319617358.db2.gz ZAKQNFOGKYDFNB-UWVGGRQHSA-N 1 0 347.824 1.996 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)C(=O)NCCF ZINC000282763530 443427258 /nfs/dbraw/zinc/42/72/58/443427258.db2.gz OKVHXWISZRFGEQ-MNOVXSKESA-N 1 0 340.355 1.376 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC1(OCCO)CCOCC1 ZINC000282648290 443399068 /nfs/dbraw/zinc/39/90/68/443399068.db2.gz LAVJBBVKYCQTSY-UHFFFAOYSA-N 1 0 344.795 1.896 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000272679289 443407111 /nfs/dbraw/zinc/40/71/11/443407111.db2.gz VDRHEJKFSBBDCB-ABAIWWIYSA-N 1 0 347.371 1.548 20 5 EDBDRO O=Cc1ccc(OCC(=O)N2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000264952049 443489015 /nfs/dbraw/zinc/48/90/15/443489015.db2.gz KBJYXTIGJSMCHF-UHFFFAOYSA-N 1 0 347.371 1.483 20 5 EDBDRO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C[C@@H]1CCOC1 ZINC000267474156 443469536 /nfs/dbraw/zinc/46/95/36/443469536.db2.gz YVOJOELQRCDFQW-JTQLQIEISA-N 1 0 337.332 1.230 20 5 EDBDRO O=C1CC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C2(CCC2)N1 ZINC000282925102 443471557 /nfs/dbraw/zinc/47/15/57/443471557.db2.gz YPHMETFKSMUAOT-ZFWWWQNUSA-N 1 0 349.387 1.125 20 5 EDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000265015631 443509479 /nfs/dbraw/zinc/50/94/79/443509479.db2.gz IAPGOVBOIWODQL-NWDGAFQWSA-N 1 0 327.406 1.656 20 5 EDBDRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000423503301 319779671 /nfs/dbraw/zinc/77/96/71/319779671.db2.gz KJULSEIJTHDOIJ-GXTWGEPZSA-N 1 0 345.359 1.202 20 5 EDBDRO COC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273014835 443519144 /nfs/dbraw/zinc/51/91/44/443519144.db2.gz JWJKHGMXGIDAQL-CHWSQXEVSA-N 1 0 338.360 1.220 20 5 EDBDRO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC(C)(C)O ZINC000265078084 443525550 /nfs/dbraw/zinc/52/55/50/443525550.db2.gz ZJEUJYUTVNYWBB-UHFFFAOYSA-N 1 0 325.365 1.635 20 5 EDBDRO CNC(=O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283242557 443572803 /nfs/dbraw/zinc/57/28/03/443572803.db2.gz JJSONQSWFZXSDJ-AWEZNQCLSA-N 1 0 334.376 1.524 20 5 EDBDRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000286054692 443635952 /nfs/dbraw/zinc/63/59/52/443635952.db2.gz RFMYEWOERRKYEI-GOEBONIOSA-N 1 0 335.404 1.769 20 5 EDBDRO Cc1ccnc(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000265293509 443598625 /nfs/dbraw/zinc/59/86/25/443598625.db2.gz YKBARQFNCGYRFO-OAHLLOKOSA-N 1 0 333.436 1.905 20 5 EDBDRO Cc1ccnc(NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000265301019 443600640 /nfs/dbraw/zinc/60/06/40/443600640.db2.gz ZVGLNFUGEITXBB-ZDUSSCGKSA-N 1 0 335.408 1.653 20 5 EDBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2[nH]ncc2[N+](=O)[O-])cc1 ZINC000286190751 443665290 /nfs/dbraw/zinc/66/52/90/443665290.db2.gz RTUVSMNMBDUBQB-GFCCVEGCSA-N 1 0 333.348 1.359 20 5 EDBDRO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000443888820 320114310 /nfs/dbraw/zinc/11/43/10/320114310.db2.gz MJUPGKKMPIVIQV-LLVKDONJSA-N 1 0 329.422 1.849 20 5 EDBDRO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000444368223 320128186 /nfs/dbraw/zinc/12/81/86/320128186.db2.gz SBVOIBUZYGXWIN-CYBMUJFWSA-N 1 0 335.404 1.441 20 5 EDBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449442177 320190840 /nfs/dbraw/zinc/19/08/40/320190840.db2.gz KAJZNYPOGBVIDZ-AAEUAGOBSA-N 1 0 329.422 1.443 20 5 EDBDRO O=C(NC[C@H]1C[NH2+]CCCO1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000449706094 320200597 /nfs/dbraw/zinc/20/05/97/320200597.db2.gz MHJPMIDSMDHXQU-GFCCVEGCSA-N 1 0 335.385 1.918 20 5 EDBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449739615 320202713 /nfs/dbraw/zinc/20/27/13/320202713.db2.gz BCUUDOMBEDZRGN-ABAIWWIYSA-N 1 0 327.344 1.214 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000454105562 320285158 /nfs/dbraw/zinc/28/51/58/320285158.db2.gz QJDVLFPZYGTPRC-CQSZACIVSA-N 1 0 348.403 1.783 20 5 EDBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C(N)=O ZINC000286369310 443700143 /nfs/dbraw/zinc/70/01/43/443700143.db2.gz YQVKLJCQBUXOLI-MWLCHTKSSA-N 1 0 338.339 1.116 20 5 EDBDRO C[C@H](CO)[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000276487612 443722749 /nfs/dbraw/zinc/72/27/49/443722749.db2.gz UMQUIAGYBPZUSQ-CZUORRHYSA-N 1 0 338.404 1.960 20 5 EDBDRO C[NH+](C)CC(=O)N1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276618613 443767487 /nfs/dbraw/zinc/76/74/87/443767487.db2.gz MNNWCUVOOBANOQ-UHFFFAOYSA-N 1 0 343.387 1.353 20 5 EDBDRO COC(=O)C1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000298479245 443779466 /nfs/dbraw/zinc/77/94/66/443779466.db2.gz CVVJEQVXFQMEES-UHFFFAOYSA-N 1 0 339.348 1.193 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@@H]1C ZINC000281105361 443819617 /nfs/dbraw/zinc/81/96/17/443819617.db2.gz FSVOLEDMFGYXTO-WDEREUQCSA-N 1 0 347.375 1.135 20 5 EDBDRO COC(=O)c1cnc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])c1 ZINC000292873478 443865793 /nfs/dbraw/zinc/86/57/93/443865793.db2.gz TZKRMRKAAZTFMI-INIZCTEOSA-N 1 0 334.376 1.699 20 5 EDBDRO CNC(=O)c1ccc(NC2CCN(CC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000299074551 443947116 /nfs/dbraw/zinc/94/71/16/443947116.db2.gz PVEQKDYQTFJAIL-UHFFFAOYSA-N 1 0 349.435 1.392 20 5 EDBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000298967910 443915896 /nfs/dbraw/zinc/91/58/96/443915896.db2.gz FUQTVNLQOPPZDG-STQMWFEESA-N 1 0 347.371 1.723 20 5 EDBDRO C[N@@H+]1CCC[C@@]2(CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000293093769 443923029 /nfs/dbraw/zinc/92/30/29/443923029.db2.gz XGNLHINVCPQUSS-SJLPKXTDSA-N 1 0 349.431 1.752 20 5 EDBDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1c[nH]nc1[N+](=O)[O-] ZINC000548082333 320859306 /nfs/dbraw/zinc/85/93/06/320859306.db2.gz VHBNZOKGTBXYFR-CQSZACIVSA-N 1 0 329.360 1.885 20 5 EDBDRO COCC[N@@H+]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000299245904 443994463 /nfs/dbraw/zinc/99/44/63/443994463.db2.gz PFXRWPCRRQNJTE-UHFFFAOYSA-N 1 0 347.375 1.265 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000299442867 444047402 /nfs/dbraw/zinc/04/74/02/444047402.db2.gz TXSPWLDLQGKLOA-UHFFFAOYSA-N 1 0 331.376 1.695 20 5 EDBDRO COc1cccc([C@@H](CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])[NH+](C)C)c1 ZINC000299460842 444052151 /nfs/dbraw/zinc/05/21/51/444052151.db2.gz YYOLIHZSUKTYQU-CYBMUJFWSA-N 1 0 347.375 1.668 20 5 EDBDRO CN(CCC[NH+]1CCCC1)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000281873676 444028230 /nfs/dbraw/zinc/02/82/30/444028230.db2.gz NQFNWDOVNNIZIA-UHFFFAOYSA-N 1 0 342.421 1.164 20 5 EDBDRO C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C[NH+](C)C ZINC000299484346 444059323 /nfs/dbraw/zinc/05/93/23/444059323.db2.gz ZRHIBXSUEZIAAT-SECBINFHSA-N 1 0 342.783 1.501 20 5 EDBDRO C[C@H]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000562800638 321076865 /nfs/dbraw/zinc/07/68/65/321076865.db2.gz MQIDSMUMKBYIFL-STQMWFEESA-N 1 0 336.392 1.600 20 5 EDBDRO Cc1c(NC(=O)CCN2CC[NH2+]C[C@H]2C(F)F)cccc1[N+](=O)[O-] ZINC000563149511 321099561 /nfs/dbraw/zinc/09/95/61/321099561.db2.gz JDUQVJJWXNCZSZ-ZDUSSCGKSA-N 1 0 342.346 1.771 20 5 EDBDRO Cc1cc(C)cc(C[C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000564854129 321151331 /nfs/dbraw/zinc/15/13/31/321151331.db2.gz JILBPRBPZCTKKT-WMLDXEAASA-N 1 0 332.404 1.990 20 5 EDBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000565166030 321171736 /nfs/dbraw/zinc/17/17/36/321171736.db2.gz XZPUAABMDMSCPO-ZIAGYGMSSA-N 1 0 335.360 1.642 20 5 EDBDRO CN1C(=O)N[C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000285894669 444144471 /nfs/dbraw/zinc/14/44/71/444144471.db2.gz JLNFNAUTCFNSTM-CABCVRRESA-N 1 0 334.376 1.462 20 5 EDBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000299720833 444123914 /nfs/dbraw/zinc/12/39/14/444123914.db2.gz ZLJIERXIYXTMFS-HUUCEWRRSA-N 1 0 333.436 1.985 20 5 EDBDRO CN(C(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000296265860 444215632 /nfs/dbraw/zinc/21/56/32/444215632.db2.gz OHNLDDXLCUHMEK-NUEKZKHPSA-N 1 0 333.388 1.961 20 5 EDBDRO O=C1CC[C@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1 ZINC000296299287 444218479 /nfs/dbraw/zinc/21/84/79/444218479.db2.gz IGXYOXRUDFBPQY-AWEZNQCLSA-N 1 0 332.404 1.633 20 5 EDBDRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1C ZINC000575248821 321520958 /nfs/dbraw/zinc/52/09/58/321520958.db2.gz VLUALEQCDNAGMA-INIZCTEOSA-N 1 0 348.403 1.746 20 5 EDBDRO COC(=O)c1cc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000301668570 444184554 /nfs/dbraw/zinc/18/45/54/444184554.db2.gz NEVGSTVGHUSVLY-KBPBESRZSA-N 1 0 335.360 1.209 20 5 EDBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000301745794 444188426 /nfs/dbraw/zinc/18/84/26/444188426.db2.gz OTKBIDKPNCEWPD-CYBMUJFWSA-N 1 0 339.827 1.859 20 5 EDBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000301807613 444191523 /nfs/dbraw/zinc/19/15/23/444191523.db2.gz FTRBXURBMWPJOU-CQSZACIVSA-N 1 0 336.367 1.652 20 5 EDBDRO CC[NH+](CC)[C@@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301895446 444195796 /nfs/dbraw/zinc/19/57/96/444195796.db2.gz PWXBFBOUVWZAOD-GFCCVEGCSA-N 1 0 341.433 1.919 20 5 EDBDRO CNC(=O)C[NH+]1CCC(CN(C)c2sccc2[N+](=O)[O-])CC1 ZINC000301997537 444199613 /nfs/dbraw/zinc/19/96/13/444199613.db2.gz HYOYXMYVNUGJAO-UHFFFAOYSA-N 1 0 326.422 1.551 20 5 EDBDRO Cn1cc(C[C@H]2CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000305170490 444262467 /nfs/dbraw/zinc/26/24/67/444262467.db2.gz JLHTZKYTLUQJKJ-DYVFJYSZSA-N 1 0 330.388 1.926 20 5 EDBDRO [NH3+]C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CCCO1 ZINC000313351416 444296460 /nfs/dbraw/zinc/29/64/60/444296460.db2.gz KHZGKXZFLLYEHY-VIFPVBQESA-N 1 0 331.170 1.306 20 5 EDBDRO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000324157559 444350864 /nfs/dbraw/zinc/35/08/64/444350864.db2.gz BOQIMQZGFMALDT-UONOGXRCSA-N 1 0 332.404 1.997 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccccc2C(F)(F)F)c1 ZINC000325066998 444361445 /nfs/dbraw/zinc/36/14/45/444361445.db2.gz ZJVQYQGPXIRULB-LBPRGKRZSA-N 1 0 344.293 1.961 20 5 EDBDRO O=C([C@H]1CCCCC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000325541618 444367029 /nfs/dbraw/zinc/36/70/29/444367029.db2.gz RPVCCEVTGGPHSW-CQSZACIVSA-N 1 0 333.392 1.171 20 5 EDBDRO CC[C@@H]1CN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000325795118 444369482 /nfs/dbraw/zinc/36/94/82/444369482.db2.gz OFRCDSPVUSHQFS-PWSUYJOCSA-N 1 0 337.376 1.811 20 5 EDBDRO CN(C)[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000579278312 321912358 /nfs/dbraw/zinc/91/23/58/321912358.db2.gz PALYEMPHFNFLSJ-UKRRQHHQSA-N 1 0 349.387 1.820 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000580726736 322088486 /nfs/dbraw/zinc/08/84/86/322088486.db2.gz IMFDCJSSERFTCF-XQQFMLRXSA-N 1 0 339.417 1.651 20 5 EDBDRO COCC1(CNC(=O)c2cccc(OC)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC000581602684 322197510 /nfs/dbraw/zinc/19/75/10/322197510.db2.gz KSKHCONWWJWMDM-UHFFFAOYSA-N 1 0 337.376 1.349 20 5 EDBDRO CC(C)[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC(N)=O ZINC000343819823 444609835 /nfs/dbraw/zinc/60/98/35/444609835.db2.gz OEABHVIVJQLGKM-UHFFFAOYSA-N 1 0 336.348 1.089 20 5 EDBDRO C[C@H]1C[C@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[N@@H+]1C ZINC000344160632 444813640 /nfs/dbraw/zinc/81/36/40/444813640.db2.gz QXELXGWAOBGOHP-LSDHHAIUSA-N 1 0 346.431 1.974 20 5 EDBDRO C[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccccc1[N+](=O)[O-] ZINC000341691933 444951103 /nfs/dbraw/zinc/95/11/03/444951103.db2.gz CNXJZGKVYRSQHW-LBPRGKRZSA-N 1 0 346.391 2.236 20 5 EDBDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342956729 444966010 /nfs/dbraw/zinc/96/60/10/444966010.db2.gz RQIMMJPSCMIRCH-GFCCVEGCSA-N 1 0 346.387 1.653 20 5 EDBDRO CC(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000339183607 445077787 /nfs/dbraw/zinc/07/77/87/445077787.db2.gz CSXGFJOJQMLNKE-CQSZACIVSA-N 1 0 348.403 1.832 20 5 EDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337553182 445134627 /nfs/dbraw/zinc/13/46/27/445134627.db2.gz RCNVOXVBSAEGJD-GOEBONIOSA-N 1 0 347.419 1.933 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCCCC[C@@H]2CCO)c1 ZINC000342056052 445147409 /nfs/dbraw/zinc/14/74/09/445147409.db2.gz GSPOJCFMCFZTKE-ZBFHGGJFSA-N 1 0 338.404 1.962 20 5 EDBDRO C[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H](C)[N@H+]1C ZINC000339621477 445154396 /nfs/dbraw/zinc/15/43/96/445154396.db2.gz IAECLCKWJCZBDD-ZENOOKHLSA-N 1 0 332.404 1.725 20 5 EDBDRO Cn1c(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000345072521 445160148 /nfs/dbraw/zinc/16/01/48/445160148.db2.gz WWOINCJYJGEBAM-KGLIPLIRSA-N 1 0 328.372 1.761 20 5 EDBDRO C[N@H+]1CC=C(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000343346737 445206554 /nfs/dbraw/zinc/20/65/54/445206554.db2.gz RCZOVCSKIBWQKT-UHFFFAOYSA-N 1 0 341.371 1.772 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000351823287 445334053 /nfs/dbraw/zinc/33/40/53/445334053.db2.gz QXVRFYGGMJJFLQ-VHSXEESVSA-N 1 0 330.344 1.658 20 5 EDBDRO Cn1cc(C[N@H+](C)[C@@H]2COC[C@@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000348648129 445343723 /nfs/dbraw/zinc/34/37/23/445343723.db2.gz RIDRMYCUXPWUBM-CABCVRRESA-N 1 0 332.360 1.187 20 5 EDBDRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000362516998 445420799 /nfs/dbraw/zinc/42/07/99/445420799.db2.gz VLQKYFRMRYENHN-CJNGLKHVSA-N 1 0 340.376 1.514 20 5 EDBDRO CCCCOC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000362455078 445390750 /nfs/dbraw/zinc/39/07/50/445390750.db2.gz ROSIWJAZLIFJAC-CQSZACIVSA-N 1 0 326.397 1.433 20 5 EDBDRO COc1cc(C(=O)N2CCC([NH+](C)C)CC2)cc([N+](=O)[O-])c1OC ZINC000357174611 445466570 /nfs/dbraw/zinc/46/65/70/445466570.db2.gz QKELAWKVLREMBQ-UHFFFAOYSA-N 1 0 337.376 1.778 20 5 EDBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000357290400 445529019 /nfs/dbraw/zinc/52/90/19/445529019.db2.gz NGDBFXZICCKAQM-CQSZACIVSA-N 1 0 348.403 1.832 20 5 EDBDRO CC[N@H+](CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)C(C)C ZINC000357240911 445501510 /nfs/dbraw/zinc/50/15/10/445501510.db2.gz SDTVQMMIAFQJDE-UHFFFAOYSA-N 1 0 330.410 1.384 20 5 EDBDRO CCc1ccc(C(=O)N2CC[C@H]([N@H+](C)CCO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000356073075 445603145 /nfs/dbraw/zinc/60/31/45/445603145.db2.gz XBTZRJPZBBQBLI-WFASDCNBSA-N 1 0 335.404 1.684 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000353481352 445622632 /nfs/dbraw/zinc/62/26/32/445622632.db2.gz KBALNAOPYIBJGE-UBHSHLNASA-N 1 0 333.392 1.391 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)n1 ZINC000360212317 445630844 /nfs/dbraw/zinc/63/08/44/445630844.db2.gz IYHOUUACXRAPRU-CYBMUJFWSA-N 1 0 349.366 1.983 20 5 EDBDRO C[NH+](C)C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000360212376 445632213 /nfs/dbraw/zinc/63/22/13/445632213.db2.gz JFJKJEFTEVPOTA-CYBMUJFWSA-N 1 0 335.339 1.350 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000363211438 445723449 /nfs/dbraw/zinc/72/34/49/445723449.db2.gz NEHFPMUNDVYYBS-UHFFFAOYSA-N 1 0 349.435 1.952 20 5 EDBDRO COCC1(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC[NH2+]CC1 ZINC000358765741 445764961 /nfs/dbraw/zinc/76/49/61/445764961.db2.gz FLEYLGUCKSDFBY-UHFFFAOYSA-N 1 0 337.376 1.236 20 5 EDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000353958568 445828100 /nfs/dbraw/zinc/82/81/00/445828100.db2.gz ABSCGSYRDCMVJC-GFCCVEGCSA-N 1 0 346.391 1.636 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000363404658 445790880 /nfs/dbraw/zinc/79/08/80/445790880.db2.gz NTANOJSOSFFJFD-CHWSQXEVSA-N 1 0 339.417 1.842 20 5 EDBDRO CN(c1ncc([N+](=O)[O-])c(N)n1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000363465137 445814827 /nfs/dbraw/zinc/81/48/27/445814827.db2.gz JGOCWBIXOOKKCL-UHFFFAOYSA-N 1 0 329.364 1.467 20 5 EDBDRO [NH3+]CC1(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCCC1 ZINC000392485742 325739154 /nfs/dbraw/zinc/73/91/54/325739154.db2.gz CYSKNEKXRLJYNT-UHFFFAOYSA-N 1 0 333.392 1.158 20 5 EDBDRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000582208262 325798514 /nfs/dbraw/zinc/79/85/14/325798514.db2.gz OBXWRPRSYVJNIZ-UHFFFAOYSA-N 1 0 334.376 1.381 20 5 EDBDRO COc1ccc(OCCN2CC[C@H](OC)C[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000359056285 445916087 /nfs/dbraw/zinc/91/60/87/445916087.db2.gz LSWAATUAZLTNMO-JSGCOSHPSA-N 1 0 339.392 1.420 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369272134 446037271 /nfs/dbraw/zinc/03/72/71/446037271.db2.gz ADGSFWDYDIKYDY-AWEZNQCLSA-N 1 0 346.431 1.802 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2nc3ccccc3s2)c1 ZINC000583122818 326004607 /nfs/dbraw/zinc/00/46/07/326004607.db2.gz GLYCMGWMTMDWOX-LLVKDONJSA-N 1 0 333.373 1.552 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000351480517 446080467 /nfs/dbraw/zinc/08/04/67/446080467.db2.gz VNTVXFXGUIZHEP-FQUUOJAGSA-N 1 0 332.404 1.899 20 5 EDBDRO COc1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000359304213 446136431 /nfs/dbraw/zinc/13/64/31/446136431.db2.gz KPSKNOVPOKASKZ-PHIMTYICSA-N 1 0 343.330 1.856 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359420680 446213875 /nfs/dbraw/zinc/21/38/75/446213875.db2.gz UQOUBOUFBCCXNA-DCAQKATOSA-N 1 0 339.779 1.693 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365542361 446247171 /nfs/dbraw/zinc/24/71/71/446247171.db2.gz ZCGBOIBCIXKXGQ-RRQGHBQHSA-N 1 0 345.399 1.916 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000373563146 446261872 /nfs/dbraw/zinc/26/18/72/446261872.db2.gz UANAALXBSGKURV-BBRMVZONSA-N 1 0 333.388 1.964 20 5 EDBDRO Cc1ccnc(N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000374256271 446359393 /nfs/dbraw/zinc/35/93/93/446359393.db2.gz NGAPTYDEVLYVBK-CQSZACIVSA-N 1 0 333.436 1.903 20 5 EDBDRO COCC1(CNc2nc3ccccc3cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000420249538 446431563 /nfs/dbraw/zinc/43/15/63/446431563.db2.gz XUZWIWHJHNFJHE-UHFFFAOYSA-N 1 0 330.388 2.571 20 5 EDBDRO COc1cc(N2C[C@H](C[NH3+])C3(C2)CCOCC3)c([N+](=O)[O-])cc1F ZINC000420274146 446444413 /nfs/dbraw/zinc/44/44/13/446444413.db2.gz MORBSDKUAWXYKS-NSHDSACASA-N 1 0 339.367 1.934 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000411253492 446446160 /nfs/dbraw/zinc/44/61/60/446446160.db2.gz LWZHPQHFYOYCGB-STQMWFEESA-N 1 0 348.403 1.749 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000370731536 446407235 /nfs/dbraw/zinc/40/72/35/446407235.db2.gz XTRBVYLXHLMJLI-QWRGUYRKSA-N 1 0 331.369 1.190 20 5 EDBDRO C[C@]1(F)C[NH2+]CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000420324747 446490756 /nfs/dbraw/zinc/49/07/56/446490756.db2.gz CKOFBNQYNHWRRV-HOCLYGCPSA-N 1 0 336.367 1.334 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000411351274 446503738 /nfs/dbraw/zinc/50/37/38/446503738.db2.gz FXVWWHWDXWZVCV-WCQYABFASA-N 1 0 334.376 1.441 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000420334024 446504734 /nfs/dbraw/zinc/50/47/34/446504734.db2.gz KUKVWXKPHCSVAZ-WFASDCNBSA-N 1 0 339.417 1.052 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420339529 446510428 /nfs/dbraw/zinc/51/04/28/446510428.db2.gz LYOSCBQRKWAMPG-SWLSCSKDSA-N 1 0 348.403 1.616 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@H](C)C[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000420341878 446514036 /nfs/dbraw/zinc/51/40/36/446514036.db2.gz QNMXXIABHFVLFV-RYUDHWBXSA-N 1 0 336.392 1.601 20 5 EDBDRO C[C@H](O)CC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000411522269 446582018 /nfs/dbraw/zinc/58/20/18/446582018.db2.gz DMMHEVYOOVQJFL-LBPRGKRZSA-N 1 0 333.392 1.754 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000420409507 446583539 /nfs/dbraw/zinc/58/35/39/446583539.db2.gz XDBZOKIEYCJSKU-BETUJISGSA-N 1 0 339.417 1.195 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000420419749 446593562 /nfs/dbraw/zinc/59/35/62/446593562.db2.gz JKCDJVCKUIEBBS-AEGPPILISA-N 1 0 339.417 1.136 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418593339 446606688 /nfs/dbraw/zinc/60/66/88/446606688.db2.gz LXYHUQNVJPSVCC-IAQYHMDHSA-N 1 0 334.376 1.365 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCNC[C@H]2c2ccncc2)c1 ZINC000420459763 446638032 /nfs/dbraw/zinc/63/80/32/446638032.db2.gz LWAVVDTZNMHSBN-HNNXBMFYSA-N 1 0 348.384 1.325 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000420465145 446642626 /nfs/dbraw/zinc/64/26/26/446642626.db2.gz VIMMJULCRDFAJI-FZMZJTMJSA-N 1 0 341.433 1.960 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000420465755 446642914 /nfs/dbraw/zinc/64/29/14/446642914.db2.gz LHNDCHAOWQOQPX-WDEREUQCSA-N 1 0 343.405 1.399 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CCN4CCOC[C@@H]4C3)o2)cc1 ZINC000375237429 446662321 /nfs/dbraw/zinc/66/23/21/446662321.db2.gz NWZAFQCHQZENIQ-AWEZNQCLSA-N 1 0 345.359 1.161 20 5 EDBDRO CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000423727287 446663376 /nfs/dbraw/zinc/66/33/76/446663376.db2.gz QYMDSDNBMSUXSG-LRDDRELGSA-N 1 0 347.375 1.942 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418744526 446665597 /nfs/dbraw/zinc/66/55/97/446665597.db2.gz FDDFDZOAQSFWEM-GFCCVEGCSA-N 1 0 328.319 1.733 20 5 EDBDRO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420445603 446622104 /nfs/dbraw/zinc/62/21/04/446622104.db2.gz HOGYILYZICWGHA-CHWSQXEVSA-N 1 0 327.406 1.184 20 5 EDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418784574 446700886 /nfs/dbraw/zinc/70/08/86/446700886.db2.gz HBXRZLBHQYBEGF-CQSZACIVSA-N 1 0 336.392 1.157 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000420630151 446709958 /nfs/dbraw/zinc/70/99/58/446709958.db2.gz DKRWCXXPOGXNLR-MRXNPFEDSA-N 1 0 348.447 1.957 20 5 EDBDRO COC(=O)[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[N@H+](C)C1 ZINC000411906947 446715122 /nfs/dbraw/zinc/71/51/22/446715122.db2.gz ORISGXVBWGOBSK-CYBMUJFWSA-N 1 0 337.376 1.010 20 5 EDBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000371270170 446730778 /nfs/dbraw/zinc/73/07/78/446730778.db2.gz YCWMOKHHUVWZRW-GOEBONIOSA-N 1 0 326.356 1.817 20 5 EDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)c2nonc21 ZINC000371282986 446741023 /nfs/dbraw/zinc/74/10/23/446741023.db2.gz FQFZAJDFANOWMQ-WDEREUQCSA-N 1 0 333.348 1.796 20 5 EDBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000375481249 446833082 /nfs/dbraw/zinc/83/30/82/446833082.db2.gz FDFKOMMURZJQJI-CQSZACIVSA-N 1 0 335.404 1.443 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000375500166 446852819 /nfs/dbraw/zinc/85/28/19/446852819.db2.gz WZVFDCTYPIYVIF-CQSZACIVSA-N 1 0 337.420 1.882 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000371452356 446865465 /nfs/dbraw/zinc/86/54/65/446865465.db2.gz NPHZIZSHKDIFCC-CYBMUJFWSA-N 1 0 333.388 1.920 20 5 EDBDRO Cn1cc([C@@H]2CN(c3ccc4ncccc4c3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000424410797 446870348 /nfs/dbraw/zinc/87/03/48/446870348.db2.gz IYBXQIYNZMDAKH-UONOGXRCSA-N 1 0 338.371 1.808 20 5 EDBDRO Cc1cc(OCC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000425064018 447010736 /nfs/dbraw/zinc/01/07/36/447010736.db2.gz HBBJEWJHVGYGRZ-XJKSGUPXSA-N 1 0 333.388 1.835 20 5 EDBDRO CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000377238689 447013823 /nfs/dbraw/zinc/01/38/23/447013823.db2.gz AIKOVUXBHFIULI-MRXNPFEDSA-N 1 0 335.404 1.705 20 5 EDBDRO CON1CCC([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000421207736 447065526 /nfs/dbraw/zinc/06/55/26/447065526.db2.gz LHGPEIOFHGETTJ-OAHLLOKOSA-N 1 0 334.376 1.316 20 5 EDBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413135182 447025378 /nfs/dbraw/zinc/02/53/78/447025378.db2.gz MIIXHCUYAMIKQM-HNNXBMFYSA-N 1 0 343.387 1.895 20 5 EDBDRO C[N@H+](CCCO)C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444648888 447114568 /nfs/dbraw/zinc/11/45/68/447114568.db2.gz OQOAKYOSVOUFND-UHFFFAOYSA-N 1 0 347.419 1.750 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000377624083 447252064 /nfs/dbraw/zinc/25/20/64/447252064.db2.gz FUDRITHNXHHNIT-TZMCWYRMSA-N 1 0 346.387 1.300 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425542265 447219992 /nfs/dbraw/zinc/21/99/92/447219992.db2.gz HAJNQYYZSCGSMH-GFCCVEGCSA-N 1 0 344.375 1.839 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1c2ccccc2CC[C@@H]1C[NH+](C)C ZINC000425599915 447240676 /nfs/dbraw/zinc/24/06/76/447240676.db2.gz APFYOZABZPXUQF-CYBMUJFWSA-N 1 0 343.387 1.852 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000416569484 447651725 /nfs/dbraw/zinc/65/17/25/447651725.db2.gz YLGAPPVDDTZYPI-ZDUSSCGKSA-N 1 0 341.433 1.913 20 5 EDBDRO C[C@H]1C[N@H+](CCO)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000450952578 447632322 /nfs/dbraw/zinc/63/23/22/447632322.db2.gz IOPRNOPWPTWFDM-JTQLQIEISA-N 1 0 331.319 1.699 20 5 EDBDRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000428524184 447705703 /nfs/dbraw/zinc/70/57/03/447705703.db2.gz IRKNHSOLDAOIOR-LBPRGKRZSA-N 1 0 331.332 1.137 20 5 EDBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC[C@@H]1CCC[NH2+]C1 ZINC000420177149 447657057 /nfs/dbraw/zinc/65/70/57/447657057.db2.gz RQKSXWZTTSKYAL-OAHLLOKOSA-N 1 0 334.420 1.839 20 5 EDBDRO COC(=O)[C@@H](C)NC(=O)c1ccc(N[C@@H](C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000420226097 447678058 /nfs/dbraw/zinc/67/80/58/447678058.db2.gz KMNNIJZCTFJVMU-VHSXEESVSA-N 1 0 338.364 1.035 20 5 EDBDRO Cn1ccnc1C(=O)c1ccc(NCC(F)(F)CN)c([N+](=O)[O-])c1 ZINC000420239588 447682837 /nfs/dbraw/zinc/68/28/37/447682837.db2.gz MCAGVZISLLQGSU-UHFFFAOYSA-N 1 0 339.302 1.565 20 5 EDBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000458155850 447730440 /nfs/dbraw/zinc/73/04/40/447730440.db2.gz AYHQUHKVJWUCOS-GFCCVEGCSA-N 1 0 349.387 1.828 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000452093049 447815041 /nfs/dbraw/zinc/81/50/41/447815041.db2.gz GALRSDBPQTWXPZ-ZDUSSCGKSA-N 1 0 327.406 1.698 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000422844567 447767824 /nfs/dbraw/zinc/76/78/24/447767824.db2.gz MFNRGLKBBDHRQB-NEPJUHHUSA-N 1 0 349.387 1.971 20 5 EDBDRO C[C@@H]1C[C@@H](O)C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000452072855 447810534 /nfs/dbraw/zinc/81/05/34/447810534.db2.gz WFNKVVUEFJPANG-DGCLKSJQSA-N 1 0 335.360 1.596 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000569738347 447880019 /nfs/dbraw/zinc/88/00/19/447880019.db2.gz AZSLUEVLHWAREB-INIZCTEOSA-N 1 0 335.404 1.770 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000523352831 447881385 /nfs/dbraw/zinc/88/13/85/447881385.db2.gz DZUYCDCUCXFOET-LBPRGKRZSA-N 1 0 349.387 1.826 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000570223046 447967011 /nfs/dbraw/zinc/96/70/11/447967011.db2.gz LAHZTQCXFFPNIL-FZZIBODNSA-N 1 0 337.376 1.679 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)c([N+](=O)[O-])c1 ZINC000576291712 448021399 /nfs/dbraw/zinc/02/13/99/448021399.db2.gz PYDZLDWITWVCFT-UHFFFAOYSA-N 1 0 339.417 1.795 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000525820135 448034600 /nfs/dbraw/zinc/03/46/00/448034600.db2.gz SBZLUUMQWDKWPZ-LLVKDONJSA-N 1 0 327.406 1.523 20 5 EDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000531239060 448044006 /nfs/dbraw/zinc/04/40/06/448044006.db2.gz WXDZDHUNCFFVNQ-CYBMUJFWSA-N 1 0 338.408 1.723 20 5 EDBDRO C[C@@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000525932208 448059586 /nfs/dbraw/zinc/05/95/86/448059586.db2.gz WJNJPZMUUNTSAM-JTQLQIEISA-N 1 0 338.339 1.273 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2C2(O)CC2)c1 ZINC000571381319 448144421 /nfs/dbraw/zinc/14/44/21/448144421.db2.gz BHWUMNNEYYRCNF-ZBFHGGJFSA-N 1 0 336.388 1.714 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000531821405 448153657 /nfs/dbraw/zinc/15/36/57/448153657.db2.gz KHUOTFVGOZEXPP-HZMBPMFUSA-N 1 0 347.371 1.579 20 5 EDBDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000577484324 448308795 /nfs/dbraw/zinc/30/87/95/448308795.db2.gz ODEXMLWHBPLXEI-AWEZNQCLSA-N 1 0 343.387 1.742 20 5 EDBDRO CC[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000591304255 448316202 /nfs/dbraw/zinc/31/62/02/448316202.db2.gz VPZZYAGZCGFPHZ-NEPJUHHUSA-N 1 0 334.376 1.428 20 5 EDBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])s2)(N2CCOCC2)CC1 ZINC000591186618 448282976 /nfs/dbraw/zinc/28/29/76/448282976.db2.gz LMPFXNYKNQVCFF-UHFFFAOYSA-N 1 0 340.449 1.865 20 5 EDBDRO NC(=O)[C@H]1CCC[N@H+](CCCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000577389019 448284277 /nfs/dbraw/zinc/28/42/77/448284277.db2.gz UKKRMNDVFZMWGX-XJKSGUPXSA-N 1 0 346.431 1.759 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000591445925 448365579 /nfs/dbraw/zinc/36/55/79/448365579.db2.gz CMKKAZXYGPPZMM-UKRRQHHQSA-N 1 0 337.424 1.842 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591448663 448366673 /nfs/dbraw/zinc/36/66/73/448366673.db2.gz LZRGIMJYWGBQMG-GXTWGEPZSA-N 1 0 346.387 1.577 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(c3ccccn3)CCC2)c1 ZINC000591767436 448486793 /nfs/dbraw/zinc/48/67/93/448486793.db2.gz LFUJDDBEYJZUIS-AWEZNQCLSA-N 1 0 331.376 1.259 20 5 EDBDRO O=C1C[C@H]([NH2+]C[C@H]2CCCCO2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000516978057 448514682 /nfs/dbraw/zinc/51/46/82/448514682.db2.gz ZFYSAQZURZHELR-KGLIPLIRSA-N 1 0 333.344 1.385 20 5 EDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000566882516 448576968 /nfs/dbraw/zinc/57/69/68/448576968.db2.gz OSXNWITWLVVOPA-OUCADQQQSA-N 1 0 326.418 1.939 20 5 EDBDRO CC1(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[NH2+]CC1 ZINC000584464301 448536068 /nfs/dbraw/zinc/53/60/68/448536068.db2.gz WBAJDDRFSJAOAC-UHFFFAOYSA-N 1 0 335.360 1.486 20 5 EDBDRO C[N@@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)C[C@@H]21 ZINC000578421817 448539912 /nfs/dbraw/zinc/53/99/12/448539912.db2.gz OHBSOTCZCZEPMS-WDEREUQCSA-N 1 0 332.282 1.528 20 5 EDBDRO CC(C)[C@@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC[N@@H+]1C ZINC000567100342 448612615 /nfs/dbraw/zinc/61/26/15/448612615.db2.gz WCUDASXPXLPAMC-ZDUSSCGKSA-N 1 0 342.421 1.019 20 5 EDBDRO COC(=O)[C@H]1C[C@@H](O)CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000592002587 448619273 /nfs/dbraw/zinc/61/92/73/448619273.db2.gz NZWKYCHHKXKMSK-WCQYABFASA-N 1 0 345.355 1.812 20 5 EDBDRO C[C@H]([NH3+])C1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000578742302 448624284 /nfs/dbraw/zinc/62/42/84/448624284.db2.gz SNWJSWHPLAWARS-LBPRGKRZSA-N 1 0 336.392 1.742 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000518374131 448670570 /nfs/dbraw/zinc/67/05/70/448670570.db2.gz VUWGPDFHNHFRHO-HNNXBMFYSA-N 1 0 339.417 1.531 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1C ZINC000518693932 448700345 /nfs/dbraw/zinc/70/03/45/448700345.db2.gz MZKTVPFYDPPVEF-OCCSQVGLSA-N 1 0 339.417 1.536 20 5 EDBDRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000541924826 448702608 /nfs/dbraw/zinc/70/26/08/448702608.db2.gz MVYGMUIZZIDJGQ-UHFFFAOYSA-N 1 0 335.408 1.996 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3cccc(F)c3)CCC2)c1 ZINC000592145614 448706070 /nfs/dbraw/zinc/70/60/70/448706070.db2.gz UJSIALLBUAAJNO-OAHLLOKOSA-N 1 0 334.351 1.960 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC000592367509 448808179 /nfs/dbraw/zinc/80/81/79/448808179.db2.gz QDIWGBVMRZSGRP-GFCCVEGCSA-N 1 0 327.406 1.632 20 5 EDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000579353489 448774782 /nfs/dbraw/zinc/77/47/82/448774782.db2.gz BEUBRFYECAALLP-NEPJUHHUSA-N 1 0 348.403 1.328 20 5 EDBDRO CC[C@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[C@H]1[NH3+] ZINC000592331724 448794806 /nfs/dbraw/zinc/79/48/06/448794806.db2.gz OZBQLOPHXVREGS-BLLLJJGKSA-N 1 0 343.387 1.980 20 5 EDBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000592389974 448819085 /nfs/dbraw/zinc/81/90/85/448819085.db2.gz CZULNWFRJLWEFA-AWEZNQCLSA-N 1 0 339.417 1.199 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000592392929 448820463 /nfs/dbraw/zinc/82/04/63/448820463.db2.gz KIMWNTSKHSOPSK-CMPLNLGQSA-N 1 0 327.406 1.563 20 5 EDBDRO CN(CCN1CC[NH2+]CC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000592468552 448850774 /nfs/dbraw/zinc/85/07/74/448850774.db2.gz MYKJUYNXPRIRNA-UHFFFAOYSA-N 1 0 348.428 1.787 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592475127 448853076 /nfs/dbraw/zinc/85/30/76/448853076.db2.gz SZWHNNBGFBLLDB-IUODEOHRSA-N 1 0 336.392 1.280 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)N2CCO[C@@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000592475166 448853206 /nfs/dbraw/zinc/85/32/06/448853206.db2.gz ZDWVMSGPEFWDIE-SLEUVZQESA-N 1 0 336.392 1.278 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(c3ccc(F)cc3)CC2)c1 ZINC000574559663 448902660 /nfs/dbraw/zinc/90/26/60/448902660.db2.gz DCCNSCRIWSYNFU-HNNXBMFYSA-N 1 0 334.351 1.613 20 5 EDBDRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000588869342 448943627 /nfs/dbraw/zinc/94/36/27/448943627.db2.gz MUIYCCVBGNFVKM-LBPRGKRZSA-N 1 0 332.360 1.263 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCN(C2CCCC2)C1 ZINC000582355357 449073030 /nfs/dbraw/zinc/07/30/30/449073030.db2.gz HTQCZDILJMDVFB-HOCLYGCPSA-N 1 0 349.431 1.941 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595606520 449075235 /nfs/dbraw/zinc/07/52/35/449075235.db2.gz HKOZPEDXMLGDCI-ZDUSSCGKSA-N 1 0 344.375 1.455 20 5 EDBDRO Cc1cc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000592898578 449042889 /nfs/dbraw/zinc/04/28/89/449042889.db2.gz IEFUKAUDUJYKKG-UHFFFAOYSA-N 1 0 333.388 1.840 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC000590046458 449101168 /nfs/dbraw/zinc/10/11/68/449101168.db2.gz DEQDRDBXFKSNLL-MEDUHNTESA-N 1 0 328.372 1.781 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000599895933 449103693 /nfs/dbraw/zinc/10/36/93/449103693.db2.gz HOZIZNFYCFJXRH-NWDGAFQWSA-N 1 0 334.376 1.407 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000590443629 449165471 /nfs/dbraw/zinc/16/54/71/449165471.db2.gz LFJNVTODRMRVBN-LRDDRELGSA-N 1 0 330.388 1.945 20 5 EDBDRO CCc1ccc(S(=O)(=O)NCCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000593732061 449166530 /nfs/dbraw/zinc/16/65/30/449166530.db2.gz IBAZWLUTMLNPFQ-UHFFFAOYSA-N 1 0 341.433 1.825 20 5 EDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593735994 449170320 /nfs/dbraw/zinc/17/03/20/449170320.db2.gz DAKISQWZSIROCZ-IGCXYCKISA-N 1 0 332.404 1.983 20 5 EDBDRO COc1ccc(NC(=O)CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000593735978 449170496 /nfs/dbraw/zinc/17/04/96/449170496.db2.gz BUMDZYRAYNTVSK-SJCJKPOMSA-N 1 0 348.403 1.603 20 5 EDBDRO COc1cc(OCC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)ccc1[N+](=O)[O-] ZINC000600000091 449144223 /nfs/dbraw/zinc/14/42/23/449144223.db2.gz MWHYOBGWXKQKNB-ATCWAGBWSA-N 1 0 335.360 1.001 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)n1 ZINC000595747199 449145151 /nfs/dbraw/zinc/14/51/51/449145151.db2.gz HWHXYSVUUGGVHE-JKSUJKDBSA-N 1 0 330.388 1.889 20 5 EDBDRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000590399614 449148020 /nfs/dbraw/zinc/14/80/20/449148020.db2.gz KYLYWUNCRZSOAO-LSDHHAIUSA-N 1 0 337.351 1.669 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@](O)(C3CC3)C2)c1 ZINC000595753289 449148102 /nfs/dbraw/zinc/14/81/02/449148102.db2.gz YLHHTXRUQFPNPL-DOTOQJQBSA-N 1 0 336.388 1.571 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2CCn3cncc3C2)c([N+](=O)[O-])c1 ZINC000590599001 449211264 /nfs/dbraw/zinc/21/12/64/449211264.db2.gz BTZDOMZASXOHHR-UHFFFAOYSA-N 1 0 345.359 1.644 20 5 EDBDRO COCC1([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000590600376 449212907 /nfs/dbraw/zinc/21/29/07/449212907.db2.gz LPFNGLGPQCEZRN-CQSZACIVSA-N 1 0 340.376 1.120 20 5 EDBDRO O=C(C[N@@H+]1CC[C@H]2COC[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595826943 449189608 /nfs/dbraw/zinc/18/96/08/449189608.db2.gz BGKUXBYLWPRMNU-KBPBESRZSA-N 1 0 331.372 1.452 20 5 EDBDRO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000604198276 449190438 /nfs/dbraw/zinc/19/04/38/449190438.db2.gz FFABQVJFRRUGKD-ZDUSSCGKSA-N 1 0 329.360 1.605 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000590561731 449191325 /nfs/dbraw/zinc/19/13/25/449191325.db2.gz FVFPAMVYPAUXLJ-GJZGRUSLSA-N 1 0 334.376 1.233 20 5 EDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000590752150 449272613 /nfs/dbraw/zinc/27/26/13/449272613.db2.gz NWJILJVGJBRJHF-UPJWGTAASA-N 1 0 338.360 1.266 20 5 EDBDRO NC(=O)c1ccc(CN2C[C@@H]([NH3+])CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000595904120 449245159 /nfs/dbraw/zinc/24/51/59/449245159.db2.gz OTZRUPBMTPXFHB-HNNXBMFYSA-N 1 0 340.383 1.974 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595909208 449247591 /nfs/dbraw/zinc/24/75/91/449247591.db2.gz KPVHPVMFMBILIV-CALCHBBNSA-N 1 0 333.388 1.649 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCCCN(C)C1=O ZINC000601968784 449252040 /nfs/dbraw/zinc/25/20/40/449252040.db2.gz HLQDWIVYPSNXFR-HNNXBMFYSA-N 1 0 349.387 1.904 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601975518 449257186 /nfs/dbraw/zinc/25/71/86/449257186.db2.gz WTXVSVTTZMQEAJ-TXEJJXNPSA-N 1 0 335.360 1.510 20 5 EDBDRO CN(CC1C[NH+](C)C1)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000598162569 449267505 /nfs/dbraw/zinc/26/75/05/449267505.db2.gz JPEMAUQBOYOMLJ-UHFFFAOYSA-N 1 0 330.344 1.482 20 5 EDBDRO [NH3+]CC12CC(C1)CN2C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000595941726 449269009 /nfs/dbraw/zinc/26/90/09/449269009.db2.gz BIHFQBINEMQGOJ-UHFFFAOYSA-N 1 0 327.344 1.344 20 5 EDBDRO O=C(NCCC1CC[NH2+]CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000593920110 449287717 /nfs/dbraw/zinc/28/77/17/449287717.db2.gz XOYZOVIYZCZGCO-UHFFFAOYSA-N 1 0 335.360 1.486 20 5 EDBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000598194782 449290286 /nfs/dbraw/zinc/29/02/86/449290286.db2.gz IHKGZAWCVGUSTQ-CQSZACIVSA-N 1 0 343.387 1.707 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593456907 449293716 /nfs/dbraw/zinc/29/37/16/449293716.db2.gz JMRPJHAPURYECI-LBPRGKRZSA-N 1 0 338.383 1.029 20 5 EDBDRO C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@@H]1CC[NH3+] ZINC000593933418 449295751 /nfs/dbraw/zinc/29/57/51/449295751.db2.gz AKUODEFPZUFXJP-BXUZGUMPSA-N 1 0 349.387 1.956 20 5 EDBDRO C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@H]1CC[NH3+] ZINC000593933419 449295850 /nfs/dbraw/zinc/29/58/50/449295850.db2.gz AKUODEFPZUFXJP-FZMZJTMJSA-N 1 0 349.387 1.956 20 5 EDBDRO CC(C)(CO)[NH+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000611515538 449318021 /nfs/dbraw/zinc/31/80/21/449318021.db2.gz DDFNJYAWGKWTHY-UHFFFAOYSA-N 1 0 335.404 1.443 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000602071717 449321698 /nfs/dbraw/zinc/32/16/98/449321698.db2.gz FAUVZKVWEQRVDI-HIFRSBDPSA-N 1 0 335.360 1.083 20 5 EDBDRO CC[NH+]1CCN(CCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000596075158 449351345 /nfs/dbraw/zinc/35/13/45/449351345.db2.gz ZYKMVTVCEIFGHM-UHFFFAOYSA-N 1 0 346.391 1.293 20 5 EDBDRO O=C([C@H]1C[N@@H+]2CCC[C@@H]2CO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602131857 449369756 /nfs/dbraw/zinc/36/97/56/449369756.db2.gz DKWGIDMIMLXKAH-IAGOWNOFSA-N 1 0 345.399 1.949 20 5 EDBDRO C[NH+]1CCC(N2CC[C@H](Nc3c(Cl)cncc3[N+](=O)[O-])C2)CC1 ZINC000596124352 449375155 /nfs/dbraw/zinc/37/51/55/449375155.db2.gz WCUHCDITXLLHOV-NSHDSACASA-N 1 0 339.827 1.646 20 5 EDBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594228821 449400749 /nfs/dbraw/zinc/40/07/49/449400749.db2.gz FPVNFBNMRQVLFL-KGLIPLIRSA-N 1 0 336.396 1.107 20 5 EDBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596146718 449384538 /nfs/dbraw/zinc/38/45/38/449384538.db2.gz IBYORGATTFYOFR-CYBMUJFWSA-N 1 0 332.404 1.862 20 5 EDBDRO O=c1[nH]ccc(N2CCC(OCC[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000596144845 449384772 /nfs/dbraw/zinc/38/47/72/449384772.db2.gz KEUZTKLXNXUUGL-UHFFFAOYSA-N 1 0 336.392 1.777 20 5 EDBDRO C[NH+](C)[C@]1(CNc2ncnc3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000611706872 449389556 /nfs/dbraw/zinc/38/95/56/449389556.db2.gz HMWHECOJPMAKCX-HNNXBMFYSA-N 1 0 333.417 2.387 20 5 EDBDRO CC[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000598536246 449452035 /nfs/dbraw/zinc/45/20/35/449452035.db2.gz PTUPTMSIIRUYBV-WCQYABFASA-N 1 0 344.375 1.388 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000596337383 449476549 /nfs/dbraw/zinc/47/65/49/449476549.db2.gz WAPUDXSXFAJACL-SNVBAGLBSA-N 1 0 342.421 1.527 20 5 EDBDRO COCC[NH+]1CCC(Nc2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000598588434 449477977 /nfs/dbraw/zinc/47/79/77/449477977.db2.gz LWONGVBHGAAFJQ-UHFFFAOYSA-N 1 0 338.364 1.299 20 5 EDBDRO COc1ccc(CNCc2cn([C@H]3CC[NH2+]C3)nn2)cc1[N+](=O)[O-] ZINC000600677518 449486859 /nfs/dbraw/zinc/48/68/59/449486859.db2.gz FIZFZKCTWCFLGC-ZDUSSCGKSA-N 1 0 332.364 1.019 20 5 EDBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594392568 449489533 /nfs/dbraw/zinc/48/95/33/449489533.db2.gz IEWWXTHZXASOQU-QWHCGFSZSA-N 1 0 331.328 1.232 20 5 EDBDRO O=[N+]([O-])c1ccc([O-])cc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600758178 449538027 /nfs/dbraw/zinc/53/80/27/449538027.db2.gz XCRMZDJVZQMEAE-INIZCTEOSA-N 1 0 335.404 1.891 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594482710 449547685 /nfs/dbraw/zinc/54/76/85/449547685.db2.gz CTFRSEYAWDSGIN-CHWSQXEVSA-N 1 0 339.417 1.890 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596477797 449521867 /nfs/dbraw/zinc/52/18/67/449521867.db2.gz KCMSRFJHXLGZAR-LLVKDONJSA-N 1 0 333.392 1.908 20 5 EDBDRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)CCc1ccccc1[N+](=O)[O-])C2 ZINC000598725299 449565034 /nfs/dbraw/zinc/56/50/34/449565034.db2.gz NEICSINIFZRICK-UKRRQHHQSA-N 1 0 339.417 1.280 20 5 EDBDRO O=C(NCCN1CC[NH2+]CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602425260 449577259 /nfs/dbraw/zinc/57/72/59/449577259.db2.gz OBZTZPJLPQTGQI-UHFFFAOYSA-N 1 0 332.404 1.038 20 5 EDBDRO CO[C@@](C)(CO)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000594510171 449558879 /nfs/dbraw/zinc/55/88/79/449558879.db2.gz HYAJXPQBFQXGFS-XHDPSFHLSA-N 1 0 325.365 1.299 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1[N+](=O)[O-] ZINC000598716254 449559520 /nfs/dbraw/zinc/55/95/20/449559520.db2.gz DZLCEKREQLQVEK-OLZOCXBDSA-N 1 0 339.417 1.727 20 5 EDBDRO COc1cc(CCNC(=O)C2([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000596688592 449607511 /nfs/dbraw/zinc/60/75/11/449607511.db2.gz KQTZTOIKMMOBTP-UHFFFAOYSA-N 1 0 337.376 1.365 20 5 EDBDRO C[C@H]1CC[C@H](Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])C[NH2+]1 ZINC000600955046 449615439 /nfs/dbraw/zinc/61/54/39/449615439.db2.gz IXYPAVMQPTZENV-JSGCOSHPSA-N 1 0 348.403 1.620 20 5 EDBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000602490806 449629686 /nfs/dbraw/zinc/62/96/86/449629686.db2.gz VMWPAGJNRMORHP-DTORHVGOSA-N 1 0 340.177 1.649 20 5 EDBDRO [NH3+]C1(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CCC1 ZINC000602482796 449625330 /nfs/dbraw/zinc/62/53/30/449625330.db2.gz HQHAAQDJCZLNDZ-UHFFFAOYSA-N 1 0 328.166 1.969 20 5 EDBDRO C[C@@H]1CCC[C@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000594731963 449655044 /nfs/dbraw/zinc/65/50/44/449655044.db2.gz HQXCVZIEGUZEPD-TZMCWYRMSA-N 1 0 342.417 1.916 20 5 EDBDRO C[C@H]1CCC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000594731961 449655477 /nfs/dbraw/zinc/65/54/77/449655477.db2.gz HQXCVZIEGUZEPD-JSGCOSHPSA-N 1 0 342.417 1.916 20 5 EDBDRO O=C(NC[C@H]1COCC[NH2+]1)c1c(Br)cccc1[N+](=O)[O-] ZINC000602551152 449669730 /nfs/dbraw/zinc/66/97/30/449669730.db2.gz NNFROAMFYJBSAS-QMMMGPOBSA-N 1 0 344.165 1.076 20 5 EDBDRO CSC[C@@H](CCO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602554607 449670503 /nfs/dbraw/zinc/67/05/03/449670503.db2.gz BXAJJZUAQRPABC-CYBMUJFWSA-N 1 0 340.449 1.662 20 5 EDBDRO C[N@@H+]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)CC1 ZINC000598962524 449671916 /nfs/dbraw/zinc/67/19/16/449671916.db2.gz TUHGSVGHFPOJCC-UHFFFAOYSA-N 1 0 347.350 1.697 20 5 EDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000602558537 449673501 /nfs/dbraw/zinc/67/35/01/449673501.db2.gz RUUKUQJFEPVOFT-GHMZBOCLSA-N 1 0 325.390 1.180 20 5 EDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCOCC[NH3+] ZINC000602561354 449675433 /nfs/dbraw/zinc/67/54/33/449675433.db2.gz YOIXXZFNMRPMFA-NSHDSACASA-N 1 0 327.406 1.509 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601116887 449699460 /nfs/dbraw/zinc/69/94/60/449699460.db2.gz ZWIJFBCWLVGQPZ-MRVPVSSYSA-N 1 0 337.302 1.480 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000599106050 449738293 /nfs/dbraw/zinc/73/82/93/449738293.db2.gz UIMLGIUFOSKEMX-ZDUSSCGKSA-N 1 0 343.405 1.222 20 5 EDBDRO COC(=O)C1(O)CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599063236 449713975 /nfs/dbraw/zinc/71/39/75/449713975.db2.gz ABZHLUYGAZAUQK-UHFFFAOYSA-N 1 0 331.328 1.647 20 5 EDBDRO CCOCCOC[C@H](O)CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599078599 449720100 /nfs/dbraw/zinc/72/01/00/449720100.db2.gz IYBDPSIGYWXWER-CYBMUJFWSA-N 1 0 335.360 1.969 20 5 EDBDRO COC(=O)CCNC(=O)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599079860 449721016 /nfs/dbraw/zinc/72/10/16/449721016.db2.gz FLGVWKBVRGIGNV-CYBMUJFWSA-N 1 0 335.360 1.241 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000599085509 449722596 /nfs/dbraw/zinc/72/25/96/449722596.db2.gz SJQQNNZRSXZNPY-OIISXLGYSA-N 1 0 333.432 1.962 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCN(CCc3cnccn3)CC2)n1 ZINC000601253431 449777165 /nfs/dbraw/zinc/77/71/65/449777165.db2.gz MZPLOOFAONVDOG-UHFFFAOYSA-N 1 0 342.403 1.761 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599108392 449741193 /nfs/dbraw/zinc/74/11/93/449741193.db2.gz RJNJYDKORURJQH-GFCCVEGCSA-N 1 0 325.390 1.466 20 5 EDBDRO C[C@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594862680 449774265 /nfs/dbraw/zinc/77/42/65/449774265.db2.gz PBIJTCAYOZZGQF-GFCCVEGCSA-N 1 0 342.421 1.389 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)CCC[NH+]1CCCC1 ZINC000601302383 449811687 /nfs/dbraw/zinc/81/16/87/449811687.db2.gz LLBSCECJADNGOT-UHFFFAOYSA-N 1 0 341.433 1.842 20 5 EDBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000614851127 449845616 /nfs/dbraw/zinc/84/56/16/449845616.db2.gz GRVQPTHGHVRATJ-LBPRGKRZSA-N 1 0 339.395 1.334 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(OCCO)CCOC1 ZINC000594975293 449826399 /nfs/dbraw/zinc/82/63/99/449826399.db2.gz PXOCTIXQQSITOR-RKCSUWQLSA-N 1 0 336.388 1.756 20 5 EDBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601319595 449827862 /nfs/dbraw/zinc/82/78/62/449827862.db2.gz PVJUHMVJGHFJPY-UHFFFAOYSA-N 1 0 339.367 1.699 20 5 EDBDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CCn1c(C)ncc1[N+](=O)[O-])CC2 ZINC000602778146 449801676 /nfs/dbraw/zinc/80/16/76/449801676.db2.gz BYHDIKSALBMBAK-ZIAGYGMSSA-N 1 0 338.408 1.352 20 5 EDBDRO CCN(C(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)[C@H]1CC[N@H+](C)C1 ZINC000595110605 449873973 /nfs/dbraw/zinc/87/39/73/449873973.db2.gz MXOQSTCHVFTGRN-ZDUSSCGKSA-N 1 0 348.403 1.703 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000595111388 449875002 /nfs/dbraw/zinc/87/50/02/449875002.db2.gz JMWGBQJGEDYNOM-RYUDHWBXSA-N 1 0 345.396 1.532 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC2CC1(C[NH3+])C2 ZINC000595117047 449877449 /nfs/dbraw/zinc/87/74/49/449877449.db2.gz DJOZILPNHZLITQ-UHFFFAOYSA-N 1 0 325.390 1.269 20 5 EDBDRO C[N@@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC000602872279 449880560 /nfs/dbraw/zinc/88/05/60/449880560.db2.gz BQEUEJJHVPCBNX-OAHLLOKOSA-N 1 0 334.420 1.856 20 5 EDBDRO [NH3+]C1(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCCC1 ZINC000595120852 449880977 /nfs/dbraw/zinc/88/09/77/449880977.db2.gz YXAZHNPBIYMIPF-UHFFFAOYSA-N 1 0 327.406 1.328 20 5 EDBDRO CC[N@H+]1[C@H](C)CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000602875136 449882681 /nfs/dbraw/zinc/88/26/81/449882681.db2.gz WHEDGQVUPDKWBJ-OKILXGFUSA-N 1 0 346.431 1.898 20 5 EDBDRO CCc1ccc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000595121344 449882890 /nfs/dbraw/zinc/88/28/90/449882890.db2.gz OTWNGQQABVTLGJ-UHFFFAOYSA-N 1 0 325.390 1.188 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])s1 ZINC000601339203 449848842 /nfs/dbraw/zinc/84/88/42/449848842.db2.gz ABKRCAOBCHUBAY-JTQLQIEISA-N 1 0 333.435 1.585 20 5 EDBDRO Cc1nn(CCC(=O)Nc2cnn(CC[NH+](C)C)c2)c(C)c1[N+](=O)[O-] ZINC000608839539 449944836 /nfs/dbraw/zinc/94/48/36/449944836.db2.gz DNVISKSLFOYORP-UHFFFAOYSA-N 1 0 349.395 1.195 20 5 EDBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000601429021 449949161 /nfs/dbraw/zinc/94/91/61/449949161.db2.gz QTJBKTWWYJYSCE-UHFFFAOYSA-N 1 0 341.433 1.841 20 5 EDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])C1 ZINC000602953601 449954743 /nfs/dbraw/zinc/95/47/43/449954743.db2.gz BHNREBVMGVTUCK-ZDUSSCGKSA-N 1 0 335.408 1.916 20 5 EDBDRO Cn1c(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)ccc1[N+](=O)[O-] ZINC000595257003 449979924 /nfs/dbraw/zinc/97/99/24/449979924.db2.gz GLJRYAKVIZUBBH-AWEZNQCLSA-N 1 0 330.344 1.847 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000595353254 450068030 /nfs/dbraw/zinc/06/80/30/450068030.db2.gz DFVIYFFRKRMITL-LBPRGKRZSA-N 1 0 327.406 1.666 20 5 EDBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000595342850 450055548 /nfs/dbraw/zinc/05/55/48/450055548.db2.gz AFASZMCPVHYEOO-UHFFFAOYSA-N 1 0 345.396 1.590 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595344889 450059245 /nfs/dbraw/zinc/05/92/45/450059245.db2.gz KEJGZINPHGJPPP-LBPRGKRZSA-N 1 0 327.406 1.700 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000618344312 450164757 /nfs/dbraw/zinc/16/47/57/450164757.db2.gz LRZSYZCDIIECEN-NWDGAFQWSA-N 1 0 331.376 1.429 20 5 EDBDRO COCC[NH2+]CCc1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1 ZINC000603248713 450177031 /nfs/dbraw/zinc/17/70/31/450177031.db2.gz RKPNIZOJFAUDKI-UHFFFAOYSA-N 1 0 341.318 1.291 20 5 EDBDRO C[NH+]1CCN(Cc2cn(CCOc3ccccc3[N+](=O)[O-])nn2)CC1 ZINC000603199616 450136512 /nfs/dbraw/zinc/13/65/12/450136512.db2.gz CRWGSQCWNQJSKX-UHFFFAOYSA-N 1 0 346.391 1.013 20 5 EDBDRO C[NH+]1CCN(Cc2cn(Cc3c(F)cccc3[N+](=O)[O-])nn2)CC1 ZINC000603199933 450136605 /nfs/dbraw/zinc/13/66/05/450136605.db2.gz LNVGYMQAWPJIJL-UHFFFAOYSA-N 1 0 334.355 1.121 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000597702182 450208134 /nfs/dbraw/zinc/20/81/34/450208134.db2.gz YRCPUTUNEIRWSY-BXKDBHETSA-N 1 0 325.340 1.907 20 5 EDBDRO Cc1noc(CNC2(C(N)=O)C3CC4CC(C3)CC2C4)c1[N+](=O)[O-] ZINC000595535281 450214567 /nfs/dbraw/zinc/21/45/67/450214567.db2.gz WLFYCATXYGEGCD-UHFFFAOYSA-N 1 0 334.376 1.661 20 5 EDBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000595569062 450239493 /nfs/dbraw/zinc/23/94/93/450239493.db2.gz ZQFKWCYFWKTKNB-CYBMUJFWSA-N 1 0 338.412 1.211 20 5 EDBDRO O=C(C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)NC1CCCC1 ZINC000618571665 450248887 /nfs/dbraw/zinc/24/88/87/450248887.db2.gz HDICOXOFKKMHLI-ZIAGYGMSSA-N 1 0 335.408 1.923 20 5 EDBDRO COc1cc(C(=O)Nc2cnn(CC[NH+](C)C)c2)cc([N+](=O)[O-])c1C ZINC000616292946 450381867 /nfs/dbraw/zinc/38/18/67/450381867.db2.gz ADQHZFZVERNHTF-UHFFFAOYSA-N 1 0 347.375 1.922 20 5 EDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000176915788 528035501 /nfs/dbraw/zinc/03/55/01/528035501.db2.gz GVLYLVQATWMNCJ-CYBMUJFWSA-N 1 0 339.392 1.690 20 5 EDBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000159789080 528819987 /nfs/dbraw/zinc/81/99/87/528819987.db2.gz MQSPDLUANUZMPU-JTQLQIEISA-N 1 0 331.394 1.399 20 5 EDBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000178199615 529148034 /nfs/dbraw/zinc/14/80/34/529148034.db2.gz IJJJJPUECUCUOR-CYBMUJFWSA-N 1 0 349.435 1.180 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351826394 535949928 /nfs/dbraw/zinc/94/99/28/535949928.db2.gz GTMGEDBOUGQLMJ-WCQGTBRESA-N 1 0 338.412 1.023 20 5 EDBDRO C/C(=C\C(=O)NCC1(O)CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752496822 579860466 /nfs/dbraw/zinc/86/04/66/579860466.db2.gz XDKILWDHDDKTDC-ACCUITESSA-N 1 0 333.388 1.571 20 5 EDBDRO C[C@@H](C[S@](C)=O)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000753588401 579883285 /nfs/dbraw/zinc/88/32/85/579883285.db2.gz VHKUNCCDHVSLSE-YTEVENLXSA-N 1 0 325.434 1.920 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]C2CC(C(F)F)C2)c1 ZINC000769492416 580238465 /nfs/dbraw/zinc/23/84/65/580238465.db2.gz NQFSCNOBDMBWTO-UHFFFAOYSA-N 1 0 349.359 1.506 20 5 EDBDRO CN1CCC2(CC[NH+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)C1=O ZINC000773328379 580334299 /nfs/dbraw/zinc/33/42/99/580334299.db2.gz KNKMOFSAVZJZEG-UHFFFAOYSA-N 1 0 343.387 1.846 20 5 EDBDRO Cn1cc([C@H](O)C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000774202570 580356583 /nfs/dbraw/zinc/35/65/83/580356583.db2.gz ATCDMXGUDXXIPU-BFHYXJOUSA-N 1 0 334.380 1.332 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCOCC3(CCOCC3)C2)cc1 ZINC000784593662 580624670 /nfs/dbraw/zinc/62/46/70/580624670.db2.gz JKZSBINBVRGSRL-MRXNPFEDSA-N 1 0 336.388 1.757 20 5 EDBDRO C[NH+]1CCC2(CCCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)CC1 ZINC000804682778 590737198 /nfs/dbraw/zinc/73/71/98/590737198.db2.gz CAJZIRMWRUMNAL-UHFFFAOYSA-N 1 0 334.420 1.982 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]CCC12CCC2 ZINC000891537976 591112037 /nfs/dbraw/zinc/11/20/37/591112037.db2.gz POUQNQUUERCOSX-UHFFFAOYSA-N 1 0 348.403 1.901 20 5 EDBDRO Cn1c2ccccc2c(NCCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1=O ZINC000891620182 591152657 /nfs/dbraw/zinc/15/26/57/591152657.db2.gz QRZFYDWZOJSWSY-UHFFFAOYSA-N 1 0 345.403 1.106 20 5 EDBDRO CN1CCO[C@@H](CSc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000894334540 591281938 /nfs/dbraw/zinc/28/19/38/591281938.db2.gz CQQDGYUANVAHNF-LLVKDONJSA-N 1 0 349.412 1.869 20 5 EDBDRO [NH3+]CCN(c1ccccc1[N+](=O)[O-])[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894448999 591314544 /nfs/dbraw/zinc/31/45/44/591314544.db2.gz RCWIFNHJLCRYJF-QWHCGFSZSA-N 1 0 339.367 1.994 20 5 EDBDRO O=[N+]([O-])c1cc(CO)c(NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1F ZINC000896525925 591494277 /nfs/dbraw/zinc/49/42/77/591494277.db2.gz RDVZMGMEZAODIR-CYBMUJFWSA-N 1 0 339.367 1.891 20 5 EDBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C12CCC2 ZINC000898834376 591546418 /nfs/dbraw/zinc/54/64/18/591546418.db2.gz HRHMXZRZNPYDFB-UONOGXRCSA-N 1 0 347.371 1.926 20 5 EDBDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000896619827 591555009 /nfs/dbraw/zinc/55/50/09/591555009.db2.gz WWUQXYYGBXDNQX-ZDUSSCGKSA-N 1 0 339.392 1.509 20 5 EDBDRO Cc1nn(CCC(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)c(C)c1[N+](=O)[O-] ZINC000898840655 591558506 /nfs/dbraw/zinc/55/85/06/591558506.db2.gz JLTWGDHDWHJGIQ-KBPBESRZSA-N 1 0 349.435 1.787 20 5 EDBDRO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000895319392 591711181 /nfs/dbraw/zinc/71/11/81/591711181.db2.gz XCYIUTLGELHFNO-NSHDSACASA-N 1 0 342.193 1.972 20 5 EDBDRO CCO[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000902972681 592095781 /nfs/dbraw/zinc/09/57/81/592095781.db2.gz YDIKHMRJBNIKCS-LLVKDONJSA-N 1 0 328.344 1.822 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)c1 ZINC000903592082 592236292 /nfs/dbraw/zinc/23/62/92/592236292.db2.gz BDIYQFCKCDOQPB-OAHLLOKOSA-N 1 0 339.417 1.728 20 5 EDBDRO O=C(CCN1CCC[C@]12CC[NH2+]C2)Nc1cc([N+](=O)[O-])ccc1F ZINC000903866907 592342021 /nfs/dbraw/zinc/34/20/21/592342021.db2.gz LPWKDLICKAVJGC-MRXNPFEDSA-N 1 0 336.367 1.890 20 5 EDBDRO CC[NH+](CC)CCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000905017974 592369695 /nfs/dbraw/zinc/36/96/95/592369695.db2.gz JILLIIXNGHJHIZ-UHFFFAOYSA-N 1 0 337.376 1.828 20 5 EDBDRO C[NH+](C)CC1(NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CCC1 ZINC000905078594 592388602 /nfs/dbraw/zinc/38/86/02/592388602.db2.gz AGFHMKBTLCOTSW-UHFFFAOYSA-N 1 0 349.387 1.970 20 5 EDBDRO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)O2)CO1 ZINC000905484163 592539361 /nfs/dbraw/zinc/53/93/61/592539361.db2.gz GYTMGPNFIKPSAX-VJUNAUMWSA-N 1 0 336.388 1.944 20 5 EDBDRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(c1cc(C)c([N+](=O)[O-])cc1F)C2 ZINC000905694739 592625403 /nfs/dbraw/zinc/62/54/03/592625403.db2.gz HZRBBGXYOWTMMU-USBNGQNGSA-N 1 0 337.351 1.759 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905897166 592671106 /nfs/dbraw/zinc/67/11/06/592671106.db2.gz CLFDRJNCFVWRJD-HIFRSBDPSA-N 1 0 344.795 1.582 20 5 EDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906387579 592815308 /nfs/dbraw/zinc/81/53/08/592815308.db2.gz AFCXXOMLGDKCNO-UHFFFAOYSA-N 1 0 348.447 1.825 20 5 EDBDRO CCCN(C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@@H]1CC[NH2+]C1 ZINC000911768118 593000786 /nfs/dbraw/zinc/00/07/86/593000786.db2.gz PEYKDQJBFKTVPJ-MLGOLLRUSA-N 1 0 346.387 1.688 20 5 EDBDRO O=C(c1ccc2c(c1[N+](=O)[O-])OCCCO2)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911856364 593027684 /nfs/dbraw/zinc/02/76/84/593027684.db2.gz MYTHHBOIVLBLCH-NEPJUHHUSA-N 1 0 347.371 1.723 20 5 EDBDRO C[N@@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1C(C)(C)C ZINC000912031374 593050392 /nfs/dbraw/zinc/05/03/92/593050392.db2.gz UCNQHJPQCHTDKY-CYBMUJFWSA-N 1 0 337.424 1.715 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCCO1 ZINC000841102374 593107804 /nfs/dbraw/zinc/10/78/04/593107804.db2.gz ARHQCOCXVLRRBZ-SNVBAGLBSA-N 1 0 328.756 1.830 20 5 EDBDRO NC(=O)C[C@H]1CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000808226681 593242804 /nfs/dbraw/zinc/24/28/04/593242804.db2.gz HHSANKCTENCCLG-GFCCVEGCSA-N 1 0 329.360 1.613 20 5 EDBDRO C[NH+]1CCC(ONC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000816533852 593530422 /nfs/dbraw/zinc/53/04/22/593530422.db2.gz LXKFGVBQFVOFQB-UHFFFAOYSA-N 1 0 337.332 1.122 20 5 EDBDRO C[C@@H]1CC[C@H](O)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000817288001 593589375 /nfs/dbraw/zinc/58/93/75/593589375.db2.gz GKXWBCXFDPKCKK-PWSUYJOCSA-N 1 0 325.340 1.908 20 5 EDBDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815601225 593643928 /nfs/dbraw/zinc/64/39/28/593643928.db2.gz QKJJJKDURYSMPW-WBIUFABUSA-N 1 0 336.392 1.463 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000818590821 593706106 /nfs/dbraw/zinc/70/61/06/593706106.db2.gz AFRJOBQZVWISSW-HNNXBMFYSA-N 1 0 334.332 1.719 20 5 EDBDRO Cc1c(C(=O)N2CC[C@@](C)(C[NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818594352 593706550 /nfs/dbraw/zinc/70/65/50/593706550.db2.gz MEJZJQHFBKVOFS-HNNXBMFYSA-N 1 0 336.348 1.931 20 5 EDBDRO CO[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000819070179 593737357 /nfs/dbraw/zinc/73/73/57/593737357.db2.gz TWPLISWEZIDMPD-ZYHUDNBSSA-N 1 0 338.282 1.501 20 5 EDBDRO O=C(CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)OC1CCCCC1 ZINC000819294001 593749113 /nfs/dbraw/zinc/74/91/13/593749113.db2.gz GVMHQOSGTWECSG-ZDUSSCGKSA-N 1 0 340.380 1.008 20 5 EDBDRO C[NH+](C)CCOc1ccc(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000819453612 593755366 /nfs/dbraw/zinc/75/53/66/593755366.db2.gz YOQOZEPIEPWBDV-HNNXBMFYSA-N 1 0 349.391 1.205 20 5 EDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000820732265 593874572 /nfs/dbraw/zinc/87/45/72/593874572.db2.gz ZMFSSAODJLEADD-KOLCDFICSA-N 1 0 347.824 1.961 20 5 EDBDRO Nc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc1[N+](=O)[O-] ZINC000823933302 593889948 /nfs/dbraw/zinc/88/99/48/593889948.db2.gz OJUAWXCLRYHGRI-LBPRGKRZSA-N 1 0 337.380 1.145 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000822438129 594049116 /nfs/dbraw/zinc/04/91/16/594049116.db2.gz FCZREAMCRBRWDD-XHDPSFHLSA-N 1 0 348.359 1.978 20 5 EDBDRO CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1C ZINC000825451245 594187182 /nfs/dbraw/zinc/18/71/82/594187182.db2.gz HMXUAPIPOROPMD-QWRGUYRKSA-N 1 0 331.380 1.694 20 5 EDBDRO C[NH+](C)CC1(O)CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000828195951 594362971 /nfs/dbraw/zinc/36/29/71/594362971.db2.gz LXFOKUXXPPWIEF-HOTGVXAUSA-N 1 0 347.415 1.613 20 5 EDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826635534 594544435 /nfs/dbraw/zinc/54/44/35/594544435.db2.gz PDKXTVOEWPFEHG-CZUORRHYSA-N 1 0 335.404 1.819 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000826833197 594585300 /nfs/dbraw/zinc/58/53/00/594585300.db2.gz ZXFHGKKWQXQCSH-JSGCOSHPSA-N 1 0 337.424 1.679 20 5 EDBDRO Cc1cc(OCC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000827269035 594657662 /nfs/dbraw/zinc/65/76/62/594657662.db2.gz UZNZYOONEVWSTL-CJNGLKHVSA-N 1 0 333.388 1.835 20 5 EDBDRO CCO[C@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000831693572 594693239 /nfs/dbraw/zinc/69/32/39/594693239.db2.gz ALRMEXIMVRSHHG-CQSZACIVSA-N 1 0 341.383 1.749 20 5 EDBDRO CCO[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000831775965 594702070 /nfs/dbraw/zinc/70/20/70/594702070.db2.gz BZJXCVAEIVIPLJ-BZUAXINKSA-N 1 0 335.404 1.781 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000832299071 594741221 /nfs/dbraw/zinc/74/12/21/594741221.db2.gz WNVKXQFRXUOLPF-UHTWSYAYSA-N 1 0 334.294 1.873 20 5 EDBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NC[C@H](C)C[NH+](C)C ZINC000833226229 594809284 /nfs/dbraw/zinc/80/92/84/594809284.db2.gz PCKLRUPDQHOTLG-VIFPVBQESA-N 1 0 340.355 1.620 20 5 EDBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCC[NH2+]CC1 ZINC000841149604 594858876 /nfs/dbraw/zinc/85/88/76/594858876.db2.gz HNMOULRLNKIXBR-UHFFFAOYSA-N 1 0 326.740 1.009 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000841290357 594881774 /nfs/dbraw/zinc/88/17/74/594881774.db2.gz OCMVXEYYBZEJSV-UHFFFAOYSA-N 1 0 338.339 1.239 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000841516019 594913123 /nfs/dbraw/zinc/91/31/23/594913123.db2.gz WAEPNZBYDONBKY-ZDUSSCGKSA-N 1 0 341.433 1.974 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCCN2CC[NH+](C)CC2)cc1Cl ZINC000836265054 594944817 /nfs/dbraw/zinc/94/48/17/594944817.db2.gz KEIGRNAZUIIYCP-UHFFFAOYSA-N 1 0 340.811 1.534 20 5 EDBDRO [NH3+]C1(Cc2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)CCC1 ZINC000843223716 595042800 /nfs/dbraw/zinc/04/28/00/595042800.db2.gz FSDLQPZJAPAKBT-UHFFFAOYSA-N 1 0 345.359 1.261 20 5 EDBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000845825003 595074994 /nfs/dbraw/zinc/07/49/94/595074994.db2.gz DJUOYNWERFOYDB-LLVKDONJSA-N 1 0 328.394 1.143 20 5 EDBDRO C[NH2+][C@@H]1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843344811 595081190 /nfs/dbraw/zinc/08/11/90/595081190.db2.gz ZAVKDWUNAFIKSH-NXEZZACHSA-N 1 0 326.784 1.869 20 5 EDBDRO C[C@H]1C[C@H](C[NH3+])CN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843362768 595087507 /nfs/dbraw/zinc/08/75/07/595087507.db2.gz QCLJLHJWGXTVKW-VHSXEESVSA-N 1 0 326.784 1.856 20 5 EDBDRO O=C(CN1CC[C@H]2[NH2+]CC[C@@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843387286 595096483 /nfs/dbraw/zinc/09/64/83/595096483.db2.gz PYFMAYKDHCPNGY-ZWNOBZJWSA-N 1 0 338.795 1.871 20 5 EDBDRO Nc1c(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)cccc1[N+](=O)[O-] ZINC000843458454 595117804 /nfs/dbraw/zinc/11/78/04/595117804.db2.gz XLGAADYTDOEMPZ-UHFFFAOYSA-N 1 0 330.348 1.550 20 5 EDBDRO CCON(C)C(=O)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000846065793 595134655 /nfs/dbraw/zinc/13/46/55/595134655.db2.gz UEMMBGHTUAQIGS-LLVKDONJSA-N 1 0 338.364 1.311 20 5 EDBDRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000837591500 595147286 /nfs/dbraw/zinc/14/72/86/595147286.db2.gz MOOIRVLFTDCLIN-ZDUSSCGKSA-N 1 0 337.376 1.563 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C1 ZINC000843790141 595186857 /nfs/dbraw/zinc/18/68/57/595186857.db2.gz BSOGINLKTVBYMB-NSHDSACASA-N 1 0 325.340 1.493 20 5 EDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000843792652 595187803 /nfs/dbraw/zinc/18/78/03/595187803.db2.gz SRDKGCBXGSVTBP-NSHDSACASA-N 1 0 338.383 1.408 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000842869143 595219978 /nfs/dbraw/zinc/21/99/78/595219978.db2.gz GWVFUCKEXOUEKO-GFCCVEGCSA-N 1 0 347.824 1.914 20 5 EDBDRO CC(C)C[C@H](O)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000843068015 595279840 /nfs/dbraw/zinc/27/98/40/595279840.db2.gz DFIBEUFXWMMLJG-ZDUSSCGKSA-N 1 0 330.406 1.365 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1 ZINC000843096786 595286812 /nfs/dbraw/zinc/28/68/12/595286812.db2.gz UZFSDSAOMWDNIP-WBVHZDCISA-N 1 0 334.347 1.961 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2([C@@H](O)c3ccccc3)CC2)c1 ZINC000843101643 595287786 /nfs/dbraw/zinc/28/77/86/595287786.db2.gz NTZWZHNHYUDUCT-HOTGVXAUSA-N 1 0 346.387 1.256 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCCC1CC[NH2+]CC1 ZINC000846699037 595303634 /nfs/dbraw/zinc/30/36/34/595303634.db2.gz GGRWOWDOOCKKFX-UHFFFAOYSA-N 1 0 325.340 1.619 20 5 EDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000846704011 595304769 /nfs/dbraw/zinc/30/47/69/595304769.db2.gz BUDTXAPKKVWRQV-ZJUUUORDSA-N 1 0 326.784 1.998 20 5 EDBDRO [NH3+]C[C@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000848598094 595414437 /nfs/dbraw/zinc/41/44/37/595414437.db2.gz WALYBYFFVZEHGS-NSHDSACASA-N 1 0 332.282 1.552 20 5 EDBDRO C[N@@H+]1CC[C@@H](CCOC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000847825203 595488622 /nfs/dbraw/zinc/48/86/22/595488622.db2.gz BWKNCGLMYXGCIM-NSHDSACASA-N 1 0 336.344 1.865 20 5 EDBDRO C[NH+](C)CCC[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000852760631 595531905 /nfs/dbraw/zinc/53/19/05/595531905.db2.gz JVEMOQUFGIEJOT-SJORKVTESA-N 1 0 337.420 1.671 20 5 EDBDRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000860152950 595595971 /nfs/dbraw/zinc/59/59/71/595595971.db2.gz PILBJSUNHASXSJ-MELADBBJSA-N 1 0 334.332 1.439 20 5 EDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765719 595599892 /nfs/dbraw/zinc/59/98/92/595599892.db2.gz JUAHBPCVBIQCKU-ZJUUUORDSA-N 1 0 329.303 1.762 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857768130 595601573 /nfs/dbraw/zinc/60/15/73/595601573.db2.gz NEXVKSHZMJHUEF-VHSXEESVSA-N 1 0 329.303 1.762 20 5 EDBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C[C@@H]1[NH3+] ZINC000850722320 595611083 /nfs/dbraw/zinc/61/10/83/595611083.db2.gz PCLAYUREQVUQMX-DOMZBBRYSA-N 1 0 348.403 1.241 20 5 EDBDRO NC(=O)CN1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000858358031 595773012 /nfs/dbraw/zinc/77/30/12/595773012.db2.gz LTVCCIKCFGWZBN-UHFFFAOYSA-N 1 0 329.360 1.140 20 5 EDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)c1 ZINC000850364016 595820052 /nfs/dbraw/zinc/82/00/52/595820052.db2.gz OLGJVAHXNOWTGB-UHFFFAOYSA-N 1 0 326.296 1.662 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000858632645 595851250 /nfs/dbraw/zinc/85/12/50/595851250.db2.gz PMONBSUXFMEPJU-VHSXEESVSA-N 1 0 347.824 1.975 20 5 EDBDRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000861342524 595949329 /nfs/dbraw/zinc/94/93/29/595949329.db2.gz CVOBFDVMBJZXRQ-WFASDCNBSA-N 1 0 340.380 1.179 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000852010283 596007268 /nfs/dbraw/zinc/00/72/68/596007268.db2.gz VUPCBAVZDLGAKW-WMZOPIPTSA-N 1 0 349.431 1.815 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000852010280 596007304 /nfs/dbraw/zinc/00/73/04/596007304.db2.gz VUPCBAVZDLGAKW-AEFFLSMTSA-N 1 0 349.431 1.815 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861712804 596077354 /nfs/dbraw/zinc/07/73/54/596077354.db2.gz UMIWDJOAXKFTRT-RYUDHWBXSA-N 1 0 339.779 1.529 20 5 EDBDRO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861716313 596078911 /nfs/dbraw/zinc/07/89/11/596078911.db2.gz RANQCDYURDCRKZ-MNOVXSKESA-N 1 0 339.779 1.529 20 5 EDBDRO C[NH+](C)CC1CN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000854724605 596176060 /nfs/dbraw/zinc/17/60/60/596176060.db2.gz RVJOKWRVDJGXRX-OAHLLOKOSA-N 1 0 332.360 1.108 20 5 EDBDRO O=C1CCCN1C[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852680724 596226576 /nfs/dbraw/zinc/22/65/76/596226576.db2.gz YFPZAVURCHCFPU-XJKSGUPXSA-N 1 0 333.388 1.573 20 5 EDBDRO CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852698983 596229000 /nfs/dbraw/zinc/22/90/00/596229000.db2.gz VSNBJQBZMHWBCE-GDBMZVCRSA-N 1 0 335.404 1.865 20 5 EDBDRO CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852697748 596229006 /nfs/dbraw/zinc/22/90/06/596229006.db2.gz CJFPIVVVEPNIJE-ZBFHGGJFSA-N 1 0 335.404 1.865 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866832044 596371256 /nfs/dbraw/zinc/37/12/56/596371256.db2.gz XKWYOUXEAVNPAC-STQMWFEESA-N 1 0 325.390 1.418 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@H](C)C1 ZINC000867525408 596414454 /nfs/dbraw/zinc/41/44/54/596414454.db2.gz SGORCXTZPFNSEV-NEPJUHHUSA-N 1 0 339.367 1.190 20 5 EDBDRO CC(C)[NH+]1CCC(CCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000870959084 596418693 /nfs/dbraw/zinc/41/86/93/596418693.db2.gz SUENFNABIKGDCI-UHFFFAOYSA-N 1 0 337.424 1.808 20 5 EDBDRO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCC1(C)C ZINC000871153083 596480271 /nfs/dbraw/zinc/48/02/71/596480271.db2.gz FLCNBZDLNDRNJB-UHFFFAOYSA-N 1 0 349.387 1.922 20 5 EDBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863031526 596491051 /nfs/dbraw/zinc/49/10/51/596491051.db2.gz HRHMMQDSEOKBRW-JKSUJKDBSA-N 1 0 333.388 1.761 20 5 EDBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CCOCC[NH3+] ZINC000863555292 596617090 /nfs/dbraw/zinc/61/70/90/596617090.db2.gz QAUCPXUTIXYMCL-SNVBAGLBSA-N 1 0 344.799 1.482 20 5 EDBDRO CN(C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000867960647 596636489 /nfs/dbraw/zinc/63/64/89/596636489.db2.gz ODLITUAODQBOOJ-DOTOQJQBSA-N 1 0 332.404 1.464 20 5 EDBDRO Cc1ccc(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000868217887 596729674 /nfs/dbraw/zinc/72/96/74/596729674.db2.gz VULXMXLHYQYQOY-HUUCEWRRSA-N 1 0 348.403 1.566 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000872152333 596814010 /nfs/dbraw/zinc/81/40/10/596814010.db2.gz PGBGROIDXWJYRN-NVGCLXPQSA-N 1 0 348.403 1.472 20 5 EDBDRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000866167972 596815558 /nfs/dbraw/zinc/81/55/58/596815558.db2.gz REPDSPUJFTWWKO-UHFFFAOYSA-N 1 0 336.392 1.118 20 5 EDBDRO CN1CC[NH+](C2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000866213651 596830111 /nfs/dbraw/zinc/83/01/11/596830111.db2.gz ZHMQFWDAFUMGIX-UHFFFAOYSA-N 1 0 339.827 1.859 20 5 EDBDRO CC1(C)CC[NH2+]CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000872294418 596871331 /nfs/dbraw/zinc/87/13/31/596871331.db2.gz ZHAQCEAGLLOYFN-UHFFFAOYSA-N 1 0 343.387 1.995 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000874468198 597093966 /nfs/dbraw/zinc/09/39/66/597093966.db2.gz FTZHMWFINCXTQC-ZDUSSCGKSA-N 1 0 348.447 1.825 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000873100980 597194966 /nfs/dbraw/zinc/19/49/66/597194966.db2.gz KVZUVXGYGQARBX-BBRMVZONSA-N 1 0 335.404 1.937 20 5 EDBDRO O=C(N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876552536 597237440 /nfs/dbraw/zinc/23/74/40/597237440.db2.gz BTRXAMDVEJDXMQ-AEFFLSMTSA-N 1 0 344.415 1.776 20 5 EDBDRO CC(C)(O)C1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000879627597 597665071 /nfs/dbraw/zinc/66/50/71/597665071.db2.gz LUOIVMGMQMWADM-AWEZNQCLSA-N 1 0 338.404 1.817 20 5 EDBDRO CN(C(=O)CN1CC[C@@H]2[C@H]1CCC[N@@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC000880132779 597850724 /nfs/dbraw/zinc/85/07/24/597850724.db2.gz FXMQVFNHBYRGJK-HZPDHXFCSA-N 1 0 332.404 1.726 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000880136244 597852635 /nfs/dbraw/zinc/85/26/35/597852635.db2.gz IJLJVIAEVHXRAE-SOUVJXGZSA-N 1 0 335.404 1.503 20 5 EDBDRO CO[C@@H]1COCC[C@@H]1[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000880423886 597928059 /nfs/dbraw/zinc/92/80/59/597928059.db2.gz GEEREDYUUSHDMT-CWRNSKLLSA-N 1 0 340.376 1.070 20 5 EDBDRO Cc1c(C(=O)OCCC[NH+](C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000914710109 695628455 /nfs/dbraw/zinc/62/84/55/695628455.db2.gz NLMXMRHQOIRBHU-UHFFFAOYSA-N 1 0 333.348 1.592 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H]([NH3+])C2CC2)c1 ZINC000193315171 695697636 /nfs/dbraw/zinc/69/76/36/695697636.db2.gz XGHTYVRFYOUTTJ-VIFPVBQESA-N 1 0 333.797 1.572 20 5 EDBDRO C[C@H]1CCC[N@H+](CCNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000916053536 696617281 /nfs/dbraw/zinc/61/72/81/696617281.db2.gz BKKWNETXRFLBBM-ZDUSSCGKSA-N 1 0 345.403 1.793 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000917908820 697105679 /nfs/dbraw/zinc/10/56/79/697105679.db2.gz HKVHYMVMIASXAU-RYUDHWBXSA-N 1 0 325.390 1.500 20 5 EDBDRO O=C(NCC1C[NH+](CCc2ccc(Cl)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031662334 697437423 /nfs/dbraw/zinc/43/74/23/697437423.db2.gz BSYVLCFGDJHJPO-HUUCEWRRSA-N 1 0 337.807 1.596 20 5 EDBDRO [NH3+]C1CCC(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000237818928 698395773 /nfs/dbraw/zinc/39/57/73/698395773.db2.gz DNIRHOPWWBXCFT-UHFFFAOYSA-N 1 0 329.360 1.780 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)C2(C3CC3)CC2)CC1 ZINC000996707492 703003382 /nfs/dbraw/zinc/00/33/82/703003382.db2.gz SGWUFUUILKYVHL-UHFFFAOYSA-N 1 0 347.419 1.599 20 5 EDBDRO O=C(c1ncccn1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997107779 703354008 /nfs/dbraw/zinc/35/40/08/703354008.db2.gz SCCVGIWOXFPGRU-UHFFFAOYSA-N 1 0 347.400 1.841 20 5 EDBDRO O=C(c1ncc[nH]1)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997762801 704668232 /nfs/dbraw/zinc/66/82/32/704668232.db2.gz XLWDYVZZSMQRCF-UHFFFAOYSA-N 1 0 343.387 1.960 20 5 EDBDRO Cc1ccncc1C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001005378626 708839795 /nfs/dbraw/zinc/83/97/95/708839795.db2.gz NQFPANZTQHXNQQ-HZPDHXFCSA-N 1 0 332.404 1.478 20 5 EDBDRO Cc1ncsc1CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002789974 709384427 /nfs/dbraw/zinc/38/44/27/709384427.db2.gz ZMSSMGAPZQINLC-CHWSQXEVSA-N 1 0 338.433 1.240 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000173757218 231024746 /nfs/dbraw/zinc/02/47/46/231024746.db2.gz QAMMNYLDLVQMCJ-JKSUJKDBSA-N 1 0 348.428 1.942 20 5 EDBDRO CC[C@@](C)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc(C)cs1 ZINC000173939072 529506503 /nfs/dbraw/zinc/50/65/03/529506503.db2.gz BORYGNIGKWTMHL-TZMCWYRMSA-N 1 0 339.421 1.832 20 5 EDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000178593636 530044802 /nfs/dbraw/zinc/04/48/02/530044802.db2.gz ZWECTYPMPZIVJM-CYBMUJFWSA-N 1 0 329.360 1.605 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000561159705 306283186 /nfs/dbraw/zinc/28/31/86/306283186.db2.gz VMEUHCCLXUGHDL-OLZOCXBDSA-N 1 0 334.376 1.225 20 5 EDBDRO COc1cc(OCC(=O)N(C)CC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000103116866 219257710 /nfs/dbraw/zinc/25/77/10/219257710.db2.gz RABHTMOAYSKOFA-UHFFFAOYSA-N 1 0 337.376 1.536 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068131872 215280998 /nfs/dbraw/zinc/28/09/98/215280998.db2.gz PVDYTHAGFITUEM-HNNXBMFYSA-N 1 0 349.435 1.967 20 5 EDBDRO C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181491869 234204877 /nfs/dbraw/zinc/20/48/77/234204877.db2.gz JRFURAXCCYFWCF-STQMWFEESA-N 1 0 335.408 1.561 20 5 EDBDRO Cc1ccc(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000563000518 306315378 /nfs/dbraw/zinc/31/53/78/306315378.db2.gz DMEUCCAACQOEJW-UHFFFAOYSA-N 1 0 349.412 1.904 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000563116646 306319062 /nfs/dbraw/zinc/31/90/62/306319062.db2.gz KOXHAGWHVYTLBS-ZBFHGGJFSA-N 1 0 349.387 1.572 20 5 EDBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000403986313 303860590 /nfs/dbraw/zinc/86/05/90/303860590.db2.gz HMQCCASCIOYKKT-YPMHNXCESA-N 1 0 325.752 1.451 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000124440517 138326731 /nfs/dbraw/zinc/32/67/31/138326731.db2.gz PFZGHBWDNZETRR-KRWDZBQOSA-N 1 0 348.447 1.905 20 5 EDBDRO C[C@@H](CCNC(=O)c1c([N+](=O)[O-])cnn1C)[N@H+](C)Cc1ccccc1 ZINC000125523257 138334722 /nfs/dbraw/zinc/33/47/22/138334722.db2.gz DQBYNJPCIKMTPM-ZDUSSCGKSA-N 1 0 345.403 1.969 20 5 EDBDRO CCCN(CC[NH+](C)C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000344866031 283231160 /nfs/dbraw/zinc/23/11/60/283231160.db2.gz NKZHHEFCLKCADY-UHFFFAOYSA-N 1 0 337.376 1.780 20 5 EDBDRO O=C1C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]2CCCCN12 ZINC000563708956 306345691 /nfs/dbraw/zinc/34/56/91/306345691.db2.gz YUMFLDFDQCAIOA-KBMXLJTQSA-N 1 0 349.387 1.078 20 5 EDBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000367325325 283320637 /nfs/dbraw/zinc/32/06/37/283320637.db2.gz CFWFZGANEQZBDJ-AWEZNQCLSA-N 1 0 333.392 1.096 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])n1 ZINC000564729210 306364158 /nfs/dbraw/zinc/36/41/58/306364158.db2.gz HGCPJDAGDNKYQC-CYBMUJFWSA-N 1 0 329.360 1.510 20 5 EDBDRO CC1(C)C[C@@H]([NH2+]C[C@H](O)Cn2ccnn2)c2cc([N+](=O)[O-])ccc21 ZINC000414196064 304105225 /nfs/dbraw/zinc/10/52/25/304105225.db2.gz UZNBZDCGFCIQJL-SWLSCSKDSA-N 1 0 331.376 1.559 20 5 EDBDRO COc1ccc(C[NH2+]CCC(C)(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000414514344 304121231 /nfs/dbraw/zinc/12/12/31/304121231.db2.gz IJSWSYUIHQPNNS-UHFFFAOYSA-N 1 0 330.406 1.906 20 5 EDBDRO CC(C)[NH+]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000109985637 220007304 /nfs/dbraw/zinc/00/73/04/220007304.db2.gz VLDCQMAUFFSVSI-UHFFFAOYSA-N 1 0 344.371 1.603 20 5 EDBDRO [NH3+]Cc1cn([C@@H]2CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)nn1 ZINC000415103284 304160187 /nfs/dbraw/zinc/16/01/87/304160187.db2.gz DASXZVMCHCODDJ-WUTVXBCWSA-N 1 0 342.403 1.995 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195214068 139010328 /nfs/dbraw/zinc/01/03/28/139010328.db2.gz HMJYNKODJKVYHT-DTORHVGOSA-N 1 0 340.177 1.649 20 5 EDBDRO CC(C)Oc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000567261750 306444662 /nfs/dbraw/zinc/44/46/62/306444662.db2.gz JYUOMMDVZMIMRU-AWEZNQCLSA-N 1 0 335.364 1.124 20 5 EDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000236613396 139026971 /nfs/dbraw/zinc/02/69/71/139026971.db2.gz WAIRYHZREIBFPS-CQSZACIVSA-N 1 0 346.387 1.882 20 5 EDBDRO CCC(CC)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000236786313 139031259 /nfs/dbraw/zinc/03/12/59/139031259.db2.gz KTNPPEIIHQZLQX-UHFFFAOYSA-N 1 0 343.405 1.246 20 5 EDBDRO C[NH2+]CC1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000237068920 139039641 /nfs/dbraw/zinc/03/96/41/139039641.db2.gz FLLUFEMOAJBJRG-UHFFFAOYSA-N 1 0 344.371 1.508 20 5 EDBDRO Cn1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000110653325 220052067 /nfs/dbraw/zinc/05/20/67/220052067.db2.gz RFKNCHVOWLLITE-GFCCVEGCSA-N 1 0 343.387 1.677 20 5 EDBDRO COc1ccc(CSCC(=O)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000237215521 139044655 /nfs/dbraw/zinc/04/46/55/139044655.db2.gz NJVPWAKNHCMXCJ-GFCCVEGCSA-N 1 0 339.417 1.690 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000237325391 139047957 /nfs/dbraw/zinc/04/79/57/139047957.db2.gz BKHWRXZAUZCEHU-CMPLNLGQSA-N 1 0 343.405 1.399 20 5 EDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000237844252 139061807 /nfs/dbraw/zinc/06/18/07/139061807.db2.gz RYZNRRDRDZTEOW-ZWNOBZJWSA-N 1 0 330.348 1.033 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC(CC[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000567620220 306456982 /nfs/dbraw/zinc/45/69/82/306456982.db2.gz UZJIGLRPUXUBHB-UHFFFAOYSA-N 1 0 327.406 1.653 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415251979 304179335 /nfs/dbraw/zinc/17/93/35/304179335.db2.gz AMQLZOZYSXVOQW-CQSZACIVSA-N 1 0 347.419 1.723 20 5 EDBDRO COc1ccc(C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000246704881 139118145 /nfs/dbraw/zinc/11/81/45/139118145.db2.gz KHXGUTUHPQSNJY-NEPJUHHUSA-N 1 0 337.376 1.131 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415359602 304203259 /nfs/dbraw/zinc/20/32/59/304203259.db2.gz RTZLULQJLQQKNM-CHWSQXEVSA-N 1 0 348.403 1.654 20 5 EDBDRO CC(C)(C)C[C@H](O)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000568511737 306483333 /nfs/dbraw/zinc/48/33/33/306483333.db2.gz TZBHNWNQYVCESM-UONOGXRCSA-N 1 0 326.393 1.721 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1[N+](=O)[O-] ZINC000248640325 139169664 /nfs/dbraw/zinc/16/96/64/139169664.db2.gz RCRJSUKEMBHOGB-WCFLWFBJSA-N 1 0 325.390 1.261 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000261622410 139212034 /nfs/dbraw/zinc/21/20/34/139212034.db2.gz CHMBEZXYJPZWOX-QWRGUYRKSA-N 1 0 343.405 1.209 20 5 EDBDRO COC(=O)COc1ccc(CN2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000261751327 139223039 /nfs/dbraw/zinc/22/30/39/139223039.db2.gz CDOHKFUDNPEPQO-YPMHNXCESA-N 1 0 337.376 1.316 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000261935969 139238426 /nfs/dbraw/zinc/23/84/26/139238426.db2.gz UBQWRZYDDICDCD-FPMFFAJLSA-N 1 0 339.417 1.651 20 5 EDBDRO COc1ccc(S(=O)(=O)NC[C@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000261975167 139241068 /nfs/dbraw/zinc/24/10/68/139241068.db2.gz ZNNSDIQHLUEOOL-CQSZACIVSA-N 1 0 343.405 1.271 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000262039570 139245875 /nfs/dbraw/zinc/24/58/75/139245875.db2.gz HNEGCAPLFWCVDO-ABAIWWIYSA-N 1 0 336.392 1.180 20 5 EDBDRO Cc1c(CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)cccc1[N+](=O)[O-] ZINC000416031406 251049348 /nfs/dbraw/zinc/04/93/48/251049348.db2.gz OGIANPYCKMZCNO-NSHDSACASA-N 1 0 334.298 1.982 20 5 EDBDRO [NH3+]C1CCC(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000262237474 139262468 /nfs/dbraw/zinc/26/24/68/139262468.db2.gz RBSOHHQMQXGUSK-UHFFFAOYSA-N 1 0 329.360 1.780 20 5 EDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417943924 251317858 /nfs/dbraw/zinc/31/78/58/251317858.db2.gz PKUGQMOQHFBZPF-RRFJBIMHSA-N 1 0 332.404 1.825 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@@H]1CCCC[NH2+]C1 ZINC000418080424 251321450 /nfs/dbraw/zinc/32/14/50/251321450.db2.gz CIYDXYIKEXVLLO-SNVBAGLBSA-N 1 0 332.364 1.412 20 5 EDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418707471 251390609 /nfs/dbraw/zinc/39/06/09/251390609.db2.gz TXGFYXDXLVISMD-RYUDHWBXSA-N 1 0 336.392 1.883 20 5 EDBDRO C[NH2+][C@H]1CCCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000420161945 251624283 /nfs/dbraw/zinc/62/42/83/251624283.db2.gz XFIVXQRCVCUBLZ-AWEZNQCLSA-N 1 0 348.403 1.255 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)CC(C)(C)C[NH3+])c1C ZINC000262742648 139300512 /nfs/dbraw/zinc/30/05/12/139300512.db2.gz KCZCPQUFOHBJHZ-UHFFFAOYSA-N 1 0 329.422 1.817 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000262885745 139310420 /nfs/dbraw/zinc/31/04/20/139310420.db2.gz NYIFVMWCXGJQAL-WDEREUQCSA-N 1 0 337.376 1.872 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NCC[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000422816099 251985836 /nfs/dbraw/zinc/98/58/36/251985836.db2.gz YYVOTWCIUDPGQF-ZDUSSCGKSA-N 1 0 348.403 1.139 20 5 EDBDRO C[NH2+]C[C@@H](C)CNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000415600702 304236596 /nfs/dbraw/zinc/23/65/96/304236596.db2.gz OGOPLUHHPIIRSE-SECBINFHSA-N 1 0 338.364 1.667 20 5 EDBDRO CCCC[C@H](C[NH3+])NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000422905043 252019224 /nfs/dbraw/zinc/01/92/24/252019224.db2.gz RJUITTCGZWHKDA-CYBMUJFWSA-N 1 0 336.392 1.267 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000424013957 252114156 /nfs/dbraw/zinc/11/41/56/252114156.db2.gz LDBCTDUUAHTELL-OBJOEFQTSA-N 1 0 348.403 1.156 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000370173279 285091031 /nfs/dbraw/zinc/09/10/31/285091031.db2.gz MXSVGFXNCMZQDF-KOLCDFICSA-N 1 0 345.808 1.621 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3C[NH2+]C[C@@H]3O)cs2)c1 ZINC000263304800 139334597 /nfs/dbraw/zinc/33/45/97/139334597.db2.gz XQMUQUKNSHUPET-FZMZJTMJSA-N 1 0 334.401 1.388 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373059074 285117454 /nfs/dbraw/zinc/11/74/54/285117454.db2.gz SZPKDBVZGFDTAJ-GXSJLCMTSA-N 1 0 345.808 1.621 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000415683352 304256111 /nfs/dbraw/zinc/25/61/11/304256111.db2.gz SNWBWKFUOUKKFL-RYUDHWBXSA-N 1 0 334.376 1.407 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c(Cl)c1 ZINC000370102802 285138229 /nfs/dbraw/zinc/13/82/29/285138229.db2.gz PISAZMRXLVRPNK-BXKDBHETSA-N 1 0 345.808 1.621 20 5 EDBDRO COc1cc(OCC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000158455538 533090108 /nfs/dbraw/zinc/09/01/08/533090108.db2.gz BWIIHDMPQSDCMF-WCQYABFASA-N 1 0 337.376 1.616 20 5 EDBDRO CCOC(=O)CC1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCCC1 ZINC000434615098 254533230 /nfs/dbraw/zinc/53/32/30/254533230.db2.gz LZRQUFZAKXRUKX-UHFFFAOYSA-N 1 0 337.376 1.612 20 5 EDBDRO C[C@@H]1[C@H](C)N(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000486952722 255020848 /nfs/dbraw/zinc/02/08/48/255020848.db2.gz CVCWZDFXOMSGGK-ZJUUUORDSA-N 1 0 327.331 1.967 20 5 EDBDRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118122850 221124659 /nfs/dbraw/zinc/12/46/59/221124659.db2.gz JYTJJUOJBJKOTF-UHFFFAOYSA-N 1 0 342.783 1.643 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000118130620 221126290 /nfs/dbraw/zinc/12/62/90/221126290.db2.gz RRTDQTBBGUFVJG-LLVKDONJSA-N 1 0 334.376 1.441 20 5 EDBDRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415864257 304282453 /nfs/dbraw/zinc/28/24/53/304282453.db2.gz VXKSPNTYLXFQCI-UHFFFAOYSA-N 1 0 340.767 1.445 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000266747148 139556202 /nfs/dbraw/zinc/55/62/02/139556202.db2.gz NKESNXKIVYJZPB-CQSZACIVSA-N 1 0 346.387 1.759 20 5 EDBDRO C[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@@H]1CCC[NH2+]C1 ZINC000269199344 139892927 /nfs/dbraw/zinc/89/29/27/139892927.db2.gz MEGNILQYJVSUFT-VXGBXAGGSA-N 1 0 344.375 1.293 20 5 EDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000270527489 140117361 /nfs/dbraw/zinc/11/73/61/140117361.db2.gz NTUOUZLCEWSKQK-MRXNPFEDSA-N 1 0 330.388 1.793 20 5 EDBDRO C[C@@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000271684720 140333458 /nfs/dbraw/zinc/33/34/58/140333458.db2.gz DGAAFTQOLWOVSG-OLZOCXBDSA-N 1 0 341.433 1.917 20 5 EDBDRO COc1cccc(C2([NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000271746072 140343630 /nfs/dbraw/zinc/34/36/30/140343630.db2.gz XNUKITIUBIZNDP-CQSZACIVSA-N 1 0 332.360 1.440 20 5 EDBDRO C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000271896171 140368929 /nfs/dbraw/zinc/36/89/29/140368929.db2.gz XCBRGKTVZLTHIO-NEPJUHHUSA-N 1 0 343.405 1.030 20 5 EDBDRO CS[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000272011149 140386925 /nfs/dbraw/zinc/38/69/25/140386925.db2.gz JVSPNNWGECDBHR-RRFJBIMHSA-N 1 0 325.434 1.606 20 5 EDBDRO C[C@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000272451650 140459918 /nfs/dbraw/zinc/45/99/18/140459918.db2.gz JVIZHUDNFWYQQE-SWLSCSKDSA-N 1 0 341.433 1.349 20 5 EDBDRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000331193073 140994085 /nfs/dbraw/zinc/99/40/85/140994085.db2.gz QPWPVXABMZTPDJ-KBPBESRZSA-N 1 0 327.406 1.545 20 5 EDBDRO CS[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1[NH+]1CCCC1 ZINC000331387444 141015338 /nfs/dbraw/zinc/01/53/38/141015338.db2.gz ITIPJFSHTBSVPS-UONOGXRCSA-N 1 0 325.438 1.303 20 5 EDBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H]1[NH+]1CCCC1 ZINC000331559424 141048144 /nfs/dbraw/zinc/04/81/44/141048144.db2.gz KECAJPMHUVIKLL-STQMWFEESA-N 1 0 338.433 1.585 20 5 EDBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H]1[NH+]1CCCC1 ZINC000331559422 141048150 /nfs/dbraw/zinc/04/81/50/141048150.db2.gz KECAJPMHUVIKLL-QWHCGFSZSA-N 1 0 338.433 1.585 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC[N@@H+]1C ZINC000332657497 141224181 /nfs/dbraw/zinc/22/41/81/141224181.db2.gz JRZLOLFEPMEVRU-VXGBXAGGSA-N 1 0 344.375 1.388 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H](O)CC1 ZINC000339778704 142153227 /nfs/dbraw/zinc/15/32/27/142153227.db2.gz DWISSCPYALQDPA-CYBMUJFWSA-N 1 0 335.360 1.740 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC[C@H](CO)O1 ZINC000340415055 142383687 /nfs/dbraw/zinc/38/36/87/142383687.db2.gz JZYNUJNSNDCMMG-BYCMXARLSA-N 1 0 337.376 1.441 20 5 EDBDRO CN(C[C@H]1CC[N@H+](C)C1)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000345141003 143056530 /nfs/dbraw/zinc/05/65/30/143056530.db2.gz AITRKKXQMYHQBA-NSHDSACASA-N 1 0 327.406 1.386 20 5 EDBDRO C[NH+](C)C1CN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000345305565 143075728 /nfs/dbraw/zinc/07/57/28/143075728.db2.gz QBJJGDPTZHYQLS-UHFFFAOYSA-N 1 0 330.344 1.294 20 5 EDBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000346233117 143181696 /nfs/dbraw/zinc/18/16/96/143181696.db2.gz GVDJXFWKVUPRFQ-UHFFFAOYSA-N 1 0 325.340 1.311 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416495562 304324860 /nfs/dbraw/zinc/32/48/60/304324860.db2.gz MFFOKFSZHYDEPK-GFCCVEGCSA-N 1 0 327.406 1.442 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CSc3ccccc32)c1 ZINC000572870658 306602102 /nfs/dbraw/zinc/60/21/02/306602102.db2.gz YISKPYCVZXWQGW-DGCLKSJQSA-N 1 0 334.401 1.631 20 5 EDBDRO C[C@@H]1[C@@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000352955049 149227535 /nfs/dbraw/zinc/22/75/35/149227535.db2.gz UKGGBFVPMMAGBM-YPMHNXCESA-N 1 0 327.406 1.497 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000353101698 149287395 /nfs/dbraw/zinc/28/73/95/149287395.db2.gz YFFDAVPZUQJIKP-HNNXBMFYSA-N 1 0 341.433 1.807 20 5 EDBDRO CC[C@]1(O)CC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000354924737 150035256 /nfs/dbraw/zinc/03/52/56/150035256.db2.gz DKCJMLUWWQLFIA-INIZCTEOSA-N 1 0 338.360 1.493 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000356157346 150535512 /nfs/dbraw/zinc/53/55/12/150535512.db2.gz UGUWHNZJPJOGTH-UHFFFAOYSA-N 1 0 343.387 1.723 20 5 EDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358061742 151252489 /nfs/dbraw/zinc/25/24/89/151252489.db2.gz HCQYRFXRGCARDX-IAQYHMDHSA-N 1 0 339.417 1.258 20 5 EDBDRO CC1=CC[N@H+](CCNC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000358199185 151302661 /nfs/dbraw/zinc/30/26/61/151302661.db2.gz YLMZJYYKSJZMSF-UHFFFAOYSA-N 1 0 347.419 1.958 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000370082657 155315811 /nfs/dbraw/zinc/31/58/11/155315811.db2.gz OLYBZEXIWGZECQ-SWLSCSKDSA-N 1 0 348.403 1.568 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360548696 152089655 /nfs/dbraw/zinc/08/96/55/152089655.db2.gz VPCDMZRNZAONRT-SJKOYZFVSA-N 1 0 348.403 1.616 20 5 EDBDRO C[NH+](C)[C@H]1CCc2cc(NC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)ccc21 ZINC000574034137 306640766 /nfs/dbraw/zinc/64/07/66/306640766.db2.gz QFQKRURRLLPPNA-WBVHZDCISA-N 1 0 345.403 1.813 20 5 EDBDRO C[NH+](C)[C@H]1CCc2cc(NC[C@H](O)Cn3cc([N+](=O)[O-])cn3)ccc21 ZINC000574034135 306640792 /nfs/dbraw/zinc/64/07/92/306640792.db2.gz QFQKRURRLLPPNA-RDJZCZTQSA-N 1 0 345.403 1.813 20 5 EDBDRO O=C(N[C@H]1C[C@@H]1C1CC[NH2+]CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000361102626 152305158 /nfs/dbraw/zinc/30/51/58/152305158.db2.gz ABQSJCQBVLINDO-RISCZKNCSA-N 1 0 329.360 1.589 20 5 EDBDRO O=C(CC[N@@H+]1CCC(F)(F)[C@H](CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000361403722 152384117 /nfs/dbraw/zinc/38/41/17/152384117.db2.gz PEXXUJCAWRFHRH-NSHDSACASA-N 1 0 343.330 1.873 20 5 EDBDRO CN(C(=O)[C@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000364061242 153136001 /nfs/dbraw/zinc/13/60/01/153136001.db2.gz YWAZTWGBQYTNTI-JKSUJKDBSA-N 1 0 332.404 1.212 20 5 EDBDRO Nc1ccc(C(=O)N2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000364183540 153166236 /nfs/dbraw/zinc/16/62/36/153166236.db2.gz PBPAGYDMDONQES-ZFWWWQNUSA-N 1 0 344.346 1.883 20 5 EDBDRO [NH3+][C@H]1CCC[C@]12CCN(S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C2 ZINC000364260965 153189701 /nfs/dbraw/zinc/18/97/01/153189701.db2.gz SEKAHTHULRDVJU-LSDHHAIUSA-N 1 0 339.417 1.628 20 5 EDBDRO COc1ccc(CNC(=O)N[C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000417194574 304383102 /nfs/dbraw/zinc/38/31/02/304383102.db2.gz MYMIHEVVFHXXDZ-ZDUSSCGKSA-N 1 0 336.392 1.920 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1C ZINC000193414946 292292185 /nfs/dbraw/zinc/29/21/85/292292185.db2.gz VSEQGMXQEDURIG-PWSUYJOCSA-N 1 0 327.406 1.488 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000360007888 292294925 /nfs/dbraw/zinc/29/49/25/292294925.db2.gz SIMPGPDSMYPGRA-KBPBESRZSA-N 1 0 339.417 1.570 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000367473245 154138875 /nfs/dbraw/zinc/13/88/75/154138875.db2.gz COGWVWWPQMLUIP-OAHLLOKOSA-N 1 0 339.417 1.667 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000367581674 154185300 /nfs/dbraw/zinc/18/53/00/154185300.db2.gz FCXCIKBCYWMUQQ-JSGCOSHPSA-N 1 0 339.417 1.618 20 5 EDBDRO NC(=O)C[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000367990152 154357090 /nfs/dbraw/zinc/35/70/90/154357090.db2.gz TUZQOYMOGZYNCQ-JTQLQIEISA-N 1 0 331.332 1.342 20 5 EDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)CCCC2 ZINC000417360834 304394759 /nfs/dbraw/zinc/39/47/59/304394759.db2.gz KHFTVZQCIGAZGA-GDBMZVCRSA-N 1 0 331.376 1.605 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000371696011 156065871 /nfs/dbraw/zinc/06/58/71/156065871.db2.gz ZTQOWLCJAFRSPA-CQSZACIVSA-N 1 0 346.387 1.937 20 5 EDBDRO CC1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)C[NH+](Cc2ccccc2)C1 ZINC000372315999 156328832 /nfs/dbraw/zinc/32/88/32/156328832.db2.gz OZZCTOSXQQUQDN-UHFFFAOYSA-N 1 0 343.387 1.430 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000373778303 157000306 /nfs/dbraw/zinc/00/03/06/157000306.db2.gz SSKZZSJIIZDBNW-HZPDHXFCSA-N 1 0 335.404 1.634 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000376454210 157782843 /nfs/dbraw/zinc/78/28/43/157782843.db2.gz JXDMYHXSBWYBMS-ONGXEEELSA-N 1 0 345.808 1.621 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000417941195 304435502 /nfs/dbraw/zinc/43/55/02/304435502.db2.gz MMLNXUPXFAGSRV-VNQPRFMTSA-N 1 0 332.404 1.906 20 5 EDBDRO Cc1sc(C(=O)NCCCC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000063739487 287238956 /nfs/dbraw/zinc/23/89/56/287238956.db2.gz CHOACLILWHSDEH-UHFFFAOYSA-N 1 0 340.449 1.722 20 5 EDBDRO CCN(CC)C(=O)C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072557901 287253845 /nfs/dbraw/zinc/25/38/45/287253845.db2.gz GFQKRSNWPPPRSS-UHFFFAOYSA-N 1 0 336.392 1.724 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000160367757 225397109 /nfs/dbraw/zinc/39/71/09/225397109.db2.gz APEUSHGXYGUJJK-YPMHNXCESA-N 1 0 344.375 1.353 20 5 EDBDRO [NH3+]C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CCO1 ZINC000164657934 226091934 /nfs/dbraw/zinc/09/19/34/226091934.db2.gz OQAGCLGYFRCJHC-SNVBAGLBSA-N 1 0 330.182 1.517 20 5 EDBDRO O=C(C[NH2+]C[C@H]1CCCO1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000165537578 226129075 /nfs/dbraw/zinc/12/90/75/226129075.db2.gz GTNIIDYIIXAAIY-MRXNPFEDSA-N 1 0 348.403 1.012 20 5 EDBDRO C[NH+](C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000170841778 226760303 /nfs/dbraw/zinc/76/03/03/226760303.db2.gz VBNMXXLPIMMOOR-UHFFFAOYSA-N 1 0 340.811 1.568 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C[NH3+])CC(C)C)c1C ZINC000124234746 222396138 /nfs/dbraw/zinc/39/61/38/222396138.db2.gz ROGCEDXEKMDWSQ-GFCCVEGCSA-N 1 0 329.422 1.863 20 5 EDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000171826561 227302067 /nfs/dbraw/zinc/30/20/67/227302067.db2.gz KHOGFMMLBITFDJ-UHFFFAOYSA-N 1 0 333.388 1.779 20 5 EDBDRO C[NH+]1CCC(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000130369164 287491299 /nfs/dbraw/zinc/49/12/99/287491299.db2.gz CSCFNVCSBMRWNV-UHFFFAOYSA-N 1 0 343.387 1.852 20 5 EDBDRO [NH3+]C1(CNC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC000418504987 304504652 /nfs/dbraw/zinc/50/46/52/304504652.db2.gz BSBHPIHUQJEULK-UHFFFAOYSA-N 1 0 333.392 1.308 20 5 EDBDRO CC[NH+](CC)Cc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000028482697 267380257 /nfs/dbraw/zinc/38/02/57/267380257.db2.gz QRTFGEZUNXQOMB-UHFFFAOYSA-N 1 0 345.403 1.950 20 5 EDBDRO COc1cc(CN2CCC([N@H+](C)CCO)CC2)c([N+](=O)[O-])cc1F ZINC000274271977 268119366 /nfs/dbraw/zinc/11/93/66/268119366.db2.gz AZHTZKNYSLWELU-UHFFFAOYSA-N 1 0 341.383 1.631 20 5 EDBDRO COc1ccc(C[NH2+][C@H](C)C2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000275352747 268328774 /nfs/dbraw/zinc/32/87/74/268328774.db2.gz RCYXBABZSFALFP-LLVKDONJSA-N 1 0 342.417 1.906 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000275436118 268342155 /nfs/dbraw/zinc/34/21/55/268342155.db2.gz PDUATHWAQBEKMW-UHFFFAOYSA-N 1 0 338.364 1.447 20 5 EDBDRO O=C(CC[NH2+]C1(CO)CCOCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000275463676 268346021 /nfs/dbraw/zinc/34/60/21/268346021.db2.gz KOPONHLJKIKFPZ-UHFFFAOYSA-N 1 0 341.339 1.194 20 5 EDBDRO COc1ccc(OCC[NH2+][C@@H](CO)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000275134422 273102654 /nfs/dbraw/zinc/10/26/54/273102654.db2.gz CHRPKOUZZYOWMX-ZDUSSCGKSA-N 1 0 336.348 1.039 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1 ZINC000275630030 273115026 /nfs/dbraw/zinc/11/50/26/273115026.db2.gz SCULXGPOEWQRAD-GFCCVEGCSA-N 1 0 343.387 1.551 20 5 EDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000275780170 273128463 /nfs/dbraw/zinc/12/84/63/273128463.db2.gz FNDGXXFSYQJPRJ-GFCCVEGCSA-N 1 0 348.403 1.722 20 5 EDBDRO C[NH+](C)CCc1ccc(CNc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000276285734 273157730 /nfs/dbraw/zinc/15/77/30/273157730.db2.gz JAELVIRPTKNXBF-UHFFFAOYSA-N 1 0 343.387 1.805 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]C[C@@H]1CCSC1 ZINC000278344280 273260170 /nfs/dbraw/zinc/26/01/70/273260170.db2.gz HFRDVWVSYNFSSG-NSHDSACASA-N 1 0 345.446 1.216 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]C[C@H]1CCSC1 ZINC000278344277 273260211 /nfs/dbraw/zinc/26/02/11/273260211.db2.gz HFRDVWVSYNFSSG-LLVKDONJSA-N 1 0 345.446 1.216 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]C[C@@H]2CCSC2)c1 ZINC000278509882 273264468 /nfs/dbraw/zinc/26/44/68/273264468.db2.gz ORENKJHPCJVLSO-NSHDSACASA-N 1 0 345.446 1.216 20 5 EDBDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000156751668 287675575 /nfs/dbraw/zinc/67/55/75/287675575.db2.gz VYFQMKGYIHTKHH-LBPRGKRZSA-N 1 0 339.396 1.780 20 5 EDBDRO COCC[N@H+]1[C@H](C)CN(c2nc3sccn3c2[N+](=O)[O-])C[C@@H]1C ZINC000132045700 274035060 /nfs/dbraw/zinc/03/50/60/274035060.db2.gz JXYBTGLGXRDBPP-PHIMTYICSA-N 1 0 339.421 1.849 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC[C@H]21 ZINC000284450426 274206722 /nfs/dbraw/zinc/20/67/22/274206722.db2.gz QXXMIVZKAOCJGR-QMTHXVAHSA-N 1 0 336.367 1.872 20 5 EDBDRO Cc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000371348988 274709746 /nfs/dbraw/zinc/70/97/46/274709746.db2.gz DWKCJPBHRHKNDM-LSDHHAIUSA-N 1 0 333.436 1.760 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000269106699 277026351 /nfs/dbraw/zinc/02/63/51/277026351.db2.gz KCKCGRRXQUVKJX-NSHDSACASA-N 1 0 335.360 1.438 20 5 EDBDRO COCC[N@@H+]1CC[C@H](Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000286619919 288047479 /nfs/dbraw/zinc/04/74/79/288047479.db2.gz CHZDDANTIWQYNY-NSHDSACASA-N 1 0 338.364 1.217 20 5 EDBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000264159053 280101252 /nfs/dbraw/zinc/10/12/52/280101252.db2.gz RWXXKYPXDWYFNO-GFCCVEGCSA-N 1 0 329.422 1.912 20 5 EDBDRO Cc1c(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000272323632 280210415 /nfs/dbraw/zinc/21/04/15/280210415.db2.gz ULBFXCHEZUDOCX-MNOVXSKESA-N 1 0 336.348 1.929 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000273409097 280375660 /nfs/dbraw/zinc/37/56/60/280375660.db2.gz XIEYNSUMVZAROJ-AWEZNQCLSA-N 1 0 336.388 1.837 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)n1 ZINC000450889830 280398684 /nfs/dbraw/zinc/39/86/84/280398684.db2.gz FDQZRIHPXMKEFM-CQSZACIVSA-N 1 0 347.419 1.397 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000262552810 280663328 /nfs/dbraw/zinc/66/33/28/280663328.db2.gz SRZBFXBJNWKJHU-MFKMUULPSA-N 1 0 327.406 1.651 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC000261753284 280799028 /nfs/dbraw/zinc/79/90/28/280799028.db2.gz QHPVNZPDLCBRQR-CQSZACIVSA-N 1 0 327.406 1.571 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)n1 ZINC000371350666 281013005 /nfs/dbraw/zinc/01/30/05/281013005.db2.gz SFSWCHMEDGCAKD-DZGCQCFKSA-N 1 0 333.436 1.760 20 5 EDBDRO CNS(=O)(=O)NC1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000291247588 289024993 /nfs/dbraw/zinc/02/49/93/289024993.db2.gz VOFURYJBRIIEHH-LLVKDONJSA-N 1 0 342.421 1.174 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292214789 289291263 /nfs/dbraw/zinc/29/12/63/289291263.db2.gz OPSPCYROIDARHB-LBPRGKRZSA-N 1 0 347.824 1.714 20 5 EDBDRO C[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc2O1 ZINC000292493915 289363174 /nfs/dbraw/zinc/36/31/74/289363174.db2.gz TZDRLPGVXWTQIU-SWLSCSKDSA-N 1 0 332.360 1.435 20 5 EDBDRO CC[NH+]1CCC(N2CCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 ZINC000422008808 447306695 /nfs/dbraw/zinc/30/66/95/447306695.db2.gz PVIUZPFGGHFNCH-UHFFFAOYSA-N 1 0 349.435 1.555 20 5 EDBDRO C[C@@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000420282634 304743134 /nfs/dbraw/zinc/74/31/34/304743134.db2.gz BTLFJOPOCVVYMK-TXEJJXNPSA-N 1 0 327.406 1.051 20 5 EDBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420447299 304759615 /nfs/dbraw/zinc/75/96/15/304759615.db2.gz INONWZVTAXXPOJ-ZDUSSCGKSA-N 1 0 329.422 1.574 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000420470023 304762468 /nfs/dbraw/zinc/76/24/68/304762468.db2.gz PYBHRPNAOXEVEP-NEPJUHHUSA-N 1 0 327.406 1.699 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000160489499 302922916 /nfs/dbraw/zinc/92/29/16/302922916.db2.gz GEMGUCAUKMUZTG-GFCCVEGCSA-N 1 0 335.339 1.500 20 5 EDBDRO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294655381 303133015 /nfs/dbraw/zinc/13/30/15/303133015.db2.gz GZWZICRAJUKORP-HZMBPMFUSA-N 1 0 344.375 1.367 20 5 EDBDRO CCn1cc([C@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000295916793 303283187 /nfs/dbraw/zinc/28/31/87/303283187.db2.gz FCUAONLOQKJCDD-WFASDCNBSA-N 1 0 334.376 1.902 20 5 EDBDRO CC1(C)C[C@H](O)CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000295964296 303286803 /nfs/dbraw/zinc/28/68/03/303286803.db2.gz HYNGFTSQEOQEMJ-ZIAGYGMSSA-N 1 0 338.404 1.817 20 5 EDBDRO C[C@H]1CN2CCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000297003565 303352989 /nfs/dbraw/zinc/35/29/89/303352989.db2.gz GCLGEDAFOPSDOF-AAEUAGOBSA-N 1 0 339.417 1.671 20 5 EDBDRO [NH3+]CC[C@H]1CCCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420237514 303390149 /nfs/dbraw/zinc/39/01/49/303390149.db2.gz FYBPPYUIVFOKKW-OAHLLOKOSA-N 1 0 348.447 1.992 20 5 EDBDRO Nc1c(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000377750323 447334625 /nfs/dbraw/zinc/33/46/25/447334625.db2.gz WJUTUFQCHKVGMN-NSHDSACASA-N 1 0 336.367 1.778 20 5 EDBDRO Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CC=CC3)C2)c1[N+](=O)[O-] ZINC000301462406 303679658 /nfs/dbraw/zinc/67/96/58/303679658.db2.gz OOJAEAHRKRJTHZ-CYBMUJFWSA-N 1 0 348.359 1.754 20 5 EDBDRO C[NH+](C)[C@H]1CC[C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301915732 303702938 /nfs/dbraw/zinc/70/29/38/303702938.db2.gz GPUDPEVHOCMQAY-QWRGUYRKSA-N 1 0 327.406 1.893 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(NC3CC[NH+](C[C@H]4CCOC4)CC3)nn21 ZINC000302011752 303707428 /nfs/dbraw/zinc/70/74/28/303707428.db2.gz WQPPQYJJWMYIPK-GFCCVEGCSA-N 1 0 346.391 1.550 20 5 EDBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421768459 304812307 /nfs/dbraw/zinc/81/23/07/304812307.db2.gz OEULNISETYXBTO-OAHLLOKOSA-N 1 0 348.447 1.967 20 5 EDBDRO COc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000377766650 447346019 /nfs/dbraw/zinc/34/60/19/447346019.db2.gz KZDUFLGYXKAWOM-PVUWLOKVSA-N 1 0 349.387 1.519 20 5 EDBDRO CC[C@@H](NC(=O)c1cn(CCC[NH3+])nn1)c1cccc([N+](=O)[O-])c1 ZINC000423272514 304890784 /nfs/dbraw/zinc/89/07/84/304890784.db2.gz ZACCBNPRUZPBKH-CYBMUJFWSA-N 1 0 332.364 1.416 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc([N+](=O)[O-])c1 ZINC000423632698 304902567 /nfs/dbraw/zinc/90/25/67/304902567.db2.gz KEJWUYKTTFSODR-JRPNMDOOSA-N 1 0 349.387 1.888 20 5 EDBDRO CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H](C[NH3+])C1CC1 ZINC000423944241 304920250 /nfs/dbraw/zinc/92/02/50/304920250.db2.gz HHDFFUAKDZSELG-HNNXBMFYSA-N 1 0 329.360 1.590 20 5 EDBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCC[C@H]1CC[NH2+]C1 ZINC000429108959 305024085 /nfs/dbraw/zinc/02/40/85/305024085.db2.gz XVGWATUNPOJIJD-LLVKDONJSA-N 1 0 335.360 1.024 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC000429328241 305029100 /nfs/dbraw/zinc/02/91/00/305029100.db2.gz IHACQKORIBTVKB-JSGCOSHPSA-N 1 0 327.406 1.664 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429770389 305036683 /nfs/dbraw/zinc/03/66/83/305036683.db2.gz KGJFPFLLXZPWNV-VXGBXAGGSA-N 1 0 334.376 1.428 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[C@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430939430 305069452 /nfs/dbraw/zinc/06/94/52/305069452.db2.gz GGJJYFJEKGNZDG-YPMHNXCESA-N 1 0 336.392 1.601 20 5 EDBDRO C[C@H]1[NH2+]CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H]1C ZINC000434710972 305129181 /nfs/dbraw/zinc/12/91/81/305129181.db2.gz ZWIYTUFFKVBINN-GHMZBOCLSA-N 1 0 335.360 1.117 20 5 EDBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000435042130 305135178 /nfs/dbraw/zinc/13/51/78/305135178.db2.gz LTUZPTVXLCLXFZ-UEICXMAYSA-N 1 0 344.371 1.672 20 5 EDBDRO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443784925 305241286 /nfs/dbraw/zinc/24/12/86/305241286.db2.gz CNFATQTZXDCPLM-OAHLLOKOSA-N 1 0 339.417 1.593 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCO)C1CCOCC1 ZINC000444772158 305252742 /nfs/dbraw/zinc/25/27/42/305252742.db2.gz USYSKGLWPWCQBV-UHFFFAOYSA-N 1 0 337.376 1.315 20 5 EDBDRO C[C@@H]1COCCN1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447535543 305281650 /nfs/dbraw/zinc/28/16/50/305281650.db2.gz GXNCZZWCNCZLTR-ILXRZTDVSA-N 1 0 337.424 1.585 20 5 EDBDRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@H]12 ZINC000449524855 305312806 /nfs/dbraw/zinc/31/28/06/305312806.db2.gz SMJBPPVFJRCBBK-BETUJISGSA-N 1 0 341.323 1.559 20 5 EDBDRO Nc1c(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc(F)cc1[N+](=O)[O-] ZINC000449696148 305317239 /nfs/dbraw/zinc/31/72/39/305317239.db2.gz JQUXUBSNACRYAQ-GHMZBOCLSA-N 1 0 336.367 1.778 20 5 EDBDRO CC[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)NC ZINC000449782219 305318931 /nfs/dbraw/zinc/31/89/31/305318931.db2.gz YDVZXSAJSLSMTO-CQSZACIVSA-N 1 0 331.376 1.610 20 5 EDBDRO COC(=O)c1cnc(NC[C@H]2CCC[N@@H+]2CCCO)c([N+](=O)[O-])c1 ZINC000450595680 305330284 /nfs/dbraw/zinc/33/02/84/305330284.db2.gz MIOMUDMPGGNYGK-GFCCVEGCSA-N 1 0 338.364 1.035 20 5 EDBDRO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000451465723 305348081 /nfs/dbraw/zinc/34/80/81/305348081.db2.gz XLSMCXRTNAZVCQ-RISCZKNCSA-N 1 0 335.360 1.738 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@@H]21 ZINC000451627186 305357134 /nfs/dbraw/zinc/35/71/34/305357134.db2.gz XHGPNFBUVAAKMU-DOMZBBRYSA-N 1 0 346.387 1.529 20 5 EDBDRO COC(=O)[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1c1ccccc1 ZINC000452007863 305377826 /nfs/dbraw/zinc/37/78/26/305377826.db2.gz RMXCIUKEVOKFEJ-CVEARBPZSA-N 1 0 344.371 1.680 20 5 EDBDRO COc1c(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cccc1[N+](=O)[O-] ZINC000452387269 305396815 /nfs/dbraw/zinc/39/68/15/305396815.db2.gz ZPZYMUSQDMUCSF-GFCCVEGCSA-N 1 0 337.376 1.180 20 5 EDBDRO Cc1nccnc1CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000519143025 305767274 /nfs/dbraw/zinc/76/72/74/305767274.db2.gz KGCGCVZIVJASBW-ZDUSSCGKSA-N 1 0 332.360 1.265 20 5 EDBDRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000520806565 305783194 /nfs/dbraw/zinc/78/31/94/305783194.db2.gz WFVTURDXRMPEIU-CQSZACIVSA-N 1 0 340.286 1.047 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000543026068 306060091 /nfs/dbraw/zinc/06/00/91/306060091.db2.gz RKBCIBMQOHPEGN-NSHDSACASA-N 1 0 335.360 1.390 20 5 EDBDRO C[NH+](C)CC1(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCC1 ZINC000547373023 306099357 /nfs/dbraw/zinc/09/93/57/306099357.db2.gz CAPJCEQJHYBXRV-UHFFFAOYSA-N 1 0 335.360 1.580 20 5 EDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000449639216 447381952 /nfs/dbraw/zinc/38/19/52/447381952.db2.gz OGSSHPGARJFGJT-AAEUAGOBSA-N 1 0 344.375 1.423 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000449639269 447382095 /nfs/dbraw/zinc/38/20/95/447382095.db2.gz OIMOBVAKNIMWSZ-WDEREUQCSA-N 1 0 335.360 1.613 20 5 EDBDRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000415393565 447414607 /nfs/dbraw/zinc/41/46/07/447414607.db2.gz BDNYPEZPJFBJEM-UHFFFAOYSA-N 1 0 334.376 1.300 20 5 EDBDRO Cn1nccc1[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000378311107 447417178 /nfs/dbraw/zinc/41/71/78/447417178.db2.gz KKJIANZLNGRFGV-CYBMUJFWSA-N 1 0 331.376 1.370 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000046035069 441071410 /nfs/dbraw/zinc/07/14/10/441071410.db2.gz GDWMBNKFAZICPW-GFCCVEGCSA-N 1 0 341.433 1.913 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000070871477 441124445 /nfs/dbraw/zinc/12/44/45/441124445.db2.gz QPSKMSHPIIFWGM-CYBMUJFWSA-N 1 0 344.375 1.390 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000061159916 441266466 /nfs/dbraw/zinc/26/64/66/441266466.db2.gz IAWUKACGZKPNGE-OLZOCXBDSA-N 1 0 337.424 1.869 20 5 EDBDRO C[NH+](C)C1(CNC(=O)COc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000073131874 441297219 /nfs/dbraw/zinc/29/72/19/441297219.db2.gz GOVIGENCTQAUOL-UHFFFAOYSA-N 1 0 337.376 1.201 20 5 EDBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000074298172 441418071 /nfs/dbraw/zinc/41/80/71/441418071.db2.gz HQSACLBTCBCOLA-CQSZACIVSA-N 1 0 349.435 1.717 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c(F)c1 ZINC000108403753 441451628 /nfs/dbraw/zinc/45/16/28/441451628.db2.gz DSPNAKWUIACDMS-NSHDSACASA-N 1 0 343.380 1.497 20 5 EDBDRO CC(C)(C)[NH2+]CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000075651795 441545927 /nfs/dbraw/zinc/54/59/27/441545927.db2.gz VVAITVGXIONHGQ-UHFFFAOYSA-N 1 0 331.376 1.898 20 5 EDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067151959 441611083 /nfs/dbraw/zinc/61/10/83/441611083.db2.gz BPEPLSKTZSWHAQ-GFCCVEGCSA-N 1 0 346.391 1.636 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000113453072 441609666 /nfs/dbraw/zinc/60/96/66/441609666.db2.gz PCCYKCJLERJXBJ-OLZOCXBDSA-N 1 0 348.403 1.123 20 5 EDBDRO CC[NH+]1CCN(CCCNC(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000041443715 441655468 /nfs/dbraw/zinc/65/54/68/441655468.db2.gz BOVUXTCBSOUPKG-UHFFFAOYSA-N 1 0 349.435 1.394 20 5 EDBDRO COCCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000173427875 441746845 /nfs/dbraw/zinc/74/68/45/441746845.db2.gz IKNPHEPVDBBYSA-UHFFFAOYSA-N 1 0 345.421 1.150 20 5 EDBDRO Cc1ccnc(NCCCC[NH+]2CCN(CCO)CC2)c1[N+](=O)[O-] ZINC000115518187 441750303 /nfs/dbraw/zinc/75/03/03/441750303.db2.gz PPHIJTZXKNFIQO-UHFFFAOYSA-N 1 0 337.424 1.100 20 5 EDBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000068310787 441772506 /nfs/dbraw/zinc/77/25/06/441772506.db2.gz XPNKNVCCPBAYGB-UHFFFAOYSA-N 1 0 345.403 1.772 20 5 EDBDRO C[C@H](CC[NH+](C)C)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000068473279 441806949 /nfs/dbraw/zinc/80/69/49/441806949.db2.gz IMRCGDYZXHRDEV-NEPJUHHUSA-N 1 0 336.392 1.170 20 5 EDBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173718099 441828603 /nfs/dbraw/zinc/82/86/03/441828603.db2.gz UAWGSSRLEAPHQQ-UHFFFAOYSA-N 1 0 348.447 1.622 20 5 EDBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000043285181 441829215 /nfs/dbraw/zinc/82/92/15/441829215.db2.gz QLHHPWIZSSQLBM-UHFFFAOYSA-N 1 0 345.403 1.950 20 5 EDBDRO Nc1nc(-n2cccn2)cc(N2CCc3c(cccc3[N+](=O)[O-])C2)[nH+]1 ZINC000092925557 441841320 /nfs/dbraw/zinc/84/13/20/441841320.db2.gz CBFZYPXYVCPJLS-UHFFFAOYSA-N 1 0 337.343 1.715 20 5 EDBDRO CCc1ccc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000174232570 441905925 /nfs/dbraw/zinc/90/59/25/441905925.db2.gz HRVJQEPDVQWALK-CYBMUJFWSA-N 1 0 334.420 1.523 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2n[nH]cc2C1 ZINC000118853077 441907439 /nfs/dbraw/zinc/90/74/39/441907439.db2.gz OOYXDSLHLPUHHE-UHFFFAOYSA-N 1 0 345.359 1.713 20 5 EDBDRO CC[NH+](CC)CCNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000078582121 441946978 /nfs/dbraw/zinc/94/69/78/441946978.db2.gz LJNGQYHZAXBMCJ-UHFFFAOYSA-N 1 0 346.391 1.556 20 5 EDBDRO CC[N@@H+](Cc1cnn(C)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000161111853 441959800 /nfs/dbraw/zinc/95/98/00/441959800.db2.gz RSHFWUFVUOJSOX-HNNXBMFYSA-N 1 0 334.376 1.590 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000125170354 441993399 /nfs/dbraw/zinc/99/33/99/441993399.db2.gz AWWMLMUOBVAWAR-NEPJUHHUSA-N 1 0 327.406 1.705 20 5 EDBDRO CSCC[C@H]([NH3+])C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000161543553 442010799 /nfs/dbraw/zinc/01/07/99/442010799.db2.gz GIBSGOCXJBBXLR-LBPRGKRZSA-N 1 0 340.449 1.902 20 5 EDBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000175362650 442049786 /nfs/dbraw/zinc/04/97/86/442049786.db2.gz OTZJQOWOTWZIOZ-UHFFFAOYSA-N 1 0 329.422 1.913 20 5 EDBDRO CN(CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000079578453 442064295 /nfs/dbraw/zinc/06/42/95/442064295.db2.gz ZJDYHNRBCZBDIW-UONOGXRCSA-N 1 0 332.404 1.774 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000175442367 442064956 /nfs/dbraw/zinc/06/49/56/442064956.db2.gz DXLKGYQDKDVBJK-ZIAGYGMSSA-N 1 0 348.403 1.314 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000151875962 442133511 /nfs/dbraw/zinc/13/35/11/442133511.db2.gz JQVPPXBLZCBQFJ-CMPLNLGQSA-N 1 0 346.387 1.583 20 5 EDBDRO C[N@H+](CC1(O)CCCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000152356984 442201862 /nfs/dbraw/zinc/20/18/62/442201862.db2.gz GJNMUTZZGLZRND-OAHLLOKOSA-N 1 0 333.388 1.937 20 5 EDBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000130330510 442343675 /nfs/dbraw/zinc/34/36/75/442343675.db2.gz ZUNQEIQUYYXBMN-GFCCVEGCSA-N 1 0 330.348 1.047 20 5 EDBDRO COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000177217298 442314587 /nfs/dbraw/zinc/31/45/87/442314587.db2.gz DAMVMLASTUCVPH-CJNGLKHVSA-N 1 0 335.404 1.756 20 5 EDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CN(C2CC2)CCO1 ZINC000154927811 442364636 /nfs/dbraw/zinc/36/46/36/442364636.db2.gz PRRKQWOQSICAEZ-INIZCTEOSA-N 1 0 333.388 1.507 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000132352279 442391672 /nfs/dbraw/zinc/39/16/72/442391672.db2.gz SNOWNMYLSMXTGL-GFCCVEGCSA-N 1 0 334.376 1.786 20 5 EDBDRO C[C@@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000154809198 442357968 /nfs/dbraw/zinc/35/79/68/442357968.db2.gz RIDTYADYFKTAJV-BZNIZROVSA-N 1 0 348.403 1.618 20 5 EDBDRO C[NH2+][C@@H]1CCCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000133410471 442417266 /nfs/dbraw/zinc/41/72/66/442417266.db2.gz RZUKBFDYEYBUDU-GFCCVEGCSA-N 1 0 335.360 1.119 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000178963202 442540284 /nfs/dbraw/zinc/54/02/84/442540284.db2.gz GDLXHCXAJDHUAW-HZMBPMFUSA-N 1 0 327.406 1.651 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCOCC1 ZINC000135110482 442556607 /nfs/dbraw/zinc/55/66/07/442556607.db2.gz XBYRGOSVBGPZCE-UHFFFAOYSA-N 1 0 325.340 1.575 20 5 EDBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000187443763 442677183 /nfs/dbraw/zinc/67/71/83/442677183.db2.gz WJPZYYIQONWRPC-IAQYHMDHSA-N 1 0 348.403 1.818 20 5 EDBDRO NC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000182021305 442728797 /nfs/dbraw/zinc/72/87/97/442728797.db2.gz UIYXLRVFIHHGEE-CQSZACIVSA-N 1 0 348.403 1.947 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000193960128 442819798 /nfs/dbraw/zinc/81/97/98/442819798.db2.gz CWHVRJPXNBQLNG-UHFFFAOYSA-N 1 0 339.417 1.748 20 5 EDBDRO Cc1nn(C)c(C(=O)NCc2cccc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000194098987 442844943 /nfs/dbraw/zinc/84/49/43/442844943.db2.gz QMUYLZAVANMCMM-UHFFFAOYSA-N 1 0 331.376 1.628 20 5 EDBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccoc1 ZINC000178006847 318447108 /nfs/dbraw/zinc/44/71/08/318447108.db2.gz XPSSDOZKQSAQND-LLVKDONJSA-N 1 0 339.373 1.817 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)s1 ZINC000194405121 442891503 /nfs/dbraw/zinc/89/15/03/442891503.db2.gz CSQPLVLXCBNDNG-UHFFFAOYSA-N 1 0 345.446 1.809 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]12 ZINC000248605253 442906162 /nfs/dbraw/zinc/90/61/62/442906162.db2.gz JVDAMOMIKJZBCI-TUKIKUTGSA-N 1 0 341.371 1.590 20 5 EDBDRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000189273855 442910002 /nfs/dbraw/zinc/91/00/02/442910002.db2.gz JHCYTDBNYNLPFK-UHFFFAOYSA-N 1 0 348.403 1.866 20 5 EDBDRO C[C@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000268303708 442939378 /nfs/dbraw/zinc/93/93/78/442939378.db2.gz XPRMJJHYIYOYOX-GXSJLCMTSA-N 1 0 331.369 1.305 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H](O)CC(F)(F)F)C2)nc1 ZINC000248958047 442940330 /nfs/dbraw/zinc/94/03/30/442940330.db2.gz FZYVFOGFKGVPHQ-ONGXEEELSA-N 1 0 334.298 1.789 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C[C@@H](C)O)[C@H](C)CO ZINC000249004283 442944376 /nfs/dbraw/zinc/94/43/76/442944376.db2.gz ZFGIDCQOJUHPHZ-CHWSQXEVSA-N 1 0 339.392 1.295 20 5 EDBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000194756672 442950759 /nfs/dbraw/zinc/95/07/59/442950759.db2.gz QJWVTLQARWLLRH-CYBMUJFWSA-N 1 0 329.360 1.570 20 5 EDBDRO CN(C)C(=O)C1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCCCC1 ZINC000295188564 318635998 /nfs/dbraw/zinc/63/59/98/318635998.db2.gz SSHZQQQEAMUMSZ-UHFFFAOYSA-N 1 0 336.392 1.137 20 5 EDBDRO COCC1CCC([NH2+][C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000295275342 318640401 /nfs/dbraw/zinc/64/04/01/318640401.db2.gz VXXOSTJNYSSRTA-MPCAOIJTSA-N 1 0 338.404 1.784 20 5 EDBDRO C[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000266157289 443038238 /nfs/dbraw/zinc/03/82/38/443038238.db2.gz IDQMRJKJSDNJDC-DOMZBBRYSA-N 1 0 348.403 1.123 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000296330471 318686657 /nfs/dbraw/zinc/68/66/57/318686657.db2.gz QRFACZAQXLERID-HFBAOOFYSA-N 1 0 349.387 1.945 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@H]1[NH+](C)C ZINC000266174437 443045350 /nfs/dbraw/zinc/04/53/50/443045350.db2.gz KTFKAJYEARVQMQ-MLGOLLRUSA-N 1 0 343.387 1.803 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000266216917 443061700 /nfs/dbraw/zinc/06/17/00/443061700.db2.gz KXBGKKPHIVGZTP-VXGBXAGGSA-N 1 0 346.387 1.603 20 5 EDBDRO O=c1cc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)c2c(ccc3ccccc32)o1 ZINC000184724374 443066716 /nfs/dbraw/zinc/06/67/16/443066716.db2.gz YRKXDAWYZSSBTP-CABCVRRESA-N 1 0 325.364 1.874 20 5 EDBDRO CC(C)(O)C[NH+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000255557523 443102631 /nfs/dbraw/zinc/10/26/31/443102631.db2.gz OLPVYXAMCNDPGR-YVMONPNESA-N 1 0 333.388 1.523 20 5 EDBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])cnc1N)Cc1ccc(F)cc1 ZINC000185241545 443167839 /nfs/dbraw/zinc/16/78/39/443167839.db2.gz YGBZNAOAGMZWQR-UHFFFAOYSA-N 1 0 347.350 1.573 20 5 EDBDRO COc1ccc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000237323865 443168445 /nfs/dbraw/zinc/16/84/45/443168445.db2.gz CLXQHENWFFRFHG-JTQLQIEISA-N 1 0 329.378 1.024 20 5 EDBDRO Cn1cc(C(=O)NC[C@@H]2CCC[NH2+]C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237886188 443187056 /nfs/dbraw/zinc/18/70/56/443187056.db2.gz RFUDZHQKLFIKGT-GFCCVEGCSA-N 1 0 343.387 1.725 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1C ZINC000261658441 443162747 /nfs/dbraw/zinc/16/27/47/443162747.db2.gz FYYKHSTUJGUXJJ-QWHCGFSZSA-N 1 0 341.433 1.878 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[C@@H]1[NH3+] ZINC000269215204 443236301 /nfs/dbraw/zinc/23/63/01/443236301.db2.gz PEJZBBRRFVNECQ-ABAIWWIYSA-N 1 0 329.360 1.590 20 5 EDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000269144560 443212390 /nfs/dbraw/zinc/21/23/90/443212390.db2.gz YANYAGIOCIBRFM-MRVPVSSYSA-N 1 0 345.302 1.639 20 5 EDBDRO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCCC2)O1 ZINC000190964885 443215345 /nfs/dbraw/zinc/21/53/45/443215345.db2.gz CSZDVTKHGQZVGI-AWEZNQCLSA-N 1 0 338.408 1.576 20 5 EDBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1COc2ccccc21 ZINC000185547795 443217166 /nfs/dbraw/zinc/21/71/66/443217166.db2.gz HLRQENAAPMFFCC-WHOFXGATSA-N 1 0 332.360 1.307 20 5 EDBDRO C[C@@H](O)C[N@H+](C)C1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000357612990 319112254 /nfs/dbraw/zinc/11/22/54/319112254.db2.gz MOEHNLVEMDYZMH-SNVBAGLBSA-N 1 0 339.421 1.585 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000415808382 319371791 /nfs/dbraw/zinc/37/17/91/319371791.db2.gz LVNVDNMIKRAWAP-RYUDHWBXSA-N 1 0 334.376 1.475 20 5 EDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000264511128 443311669 /nfs/dbraw/zinc/31/16/69/443311669.db2.gz XTXGZHBLNWKVBJ-OAHLLOKOSA-N 1 0 333.436 1.905 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272447519 443320551 /nfs/dbraw/zinc/32/05/51/443320551.db2.gz MBWSUMJEPNDUCX-DZGCQCFKSA-N 1 0 348.403 1.839 20 5 EDBDRO COC(=O)C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000269640243 443375625 /nfs/dbraw/zinc/37/56/25/443375625.db2.gz JTAAQBBEPHFIBX-GXTWGEPZSA-N 1 0 338.360 1.362 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1OC ZINC000272557257 443363065 /nfs/dbraw/zinc/36/30/65/443363065.db2.gz DONSDWAXUMJGGO-RISCZKNCSA-N 1 0 349.387 1.778 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272566213 443366254 /nfs/dbraw/zinc/36/62/54/443366254.db2.gz FINFSJNNEFFXDI-HZMBPMFUSA-N 1 0 334.332 1.669 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCOCCO ZINC000282545258 443370001 /nfs/dbraw/zinc/37/00/01/443370001.db2.gz RGZAIHYGEKZBNU-UHFFFAOYSA-N 1 0 325.365 1.173 20 5 EDBDRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000278721869 443413624 /nfs/dbraw/zinc/41/36/24/443413624.db2.gz KUTIKBIQWKSNQZ-BYCMXARLSA-N 1 0 337.376 1.705 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000272715718 443419354 /nfs/dbraw/zinc/41/93/54/443419354.db2.gz YRGGGFZALLZQQF-UHFFFAOYSA-N 1 0 334.376 1.114 20 5 EDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420368551 319611675 /nfs/dbraw/zinc/61/16/75/319611675.db2.gz NPWSQAPGNJGCDS-XUJVJEKNSA-N 1 0 341.433 1.345 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c1C ZINC000420424240 319616743 /nfs/dbraw/zinc/61/67/43/319616743.db2.gz PTUKOYYXUADZRA-MFKMUULPSA-N 1 0 341.433 1.960 20 5 EDBDRO O=C(CC[NH2+][C@@H]1CCC(=O)NC12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000282865399 443453927 /nfs/dbraw/zinc/45/39/27/443453927.db2.gz UDVVBPWTNCKVOX-CQSZACIVSA-N 1 0 346.387 1.714 20 5 EDBDRO C[C@H](C[NH+]1CCOCC1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000273101420 443539770 /nfs/dbraw/zinc/53/97/70/443539770.db2.gz PUMRAQZZCMJLFJ-LLVKDONJSA-N 1 0 341.795 1.833 20 5 EDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000283090853 443519591 /nfs/dbraw/zinc/51/95/91/443519591.db2.gz FMBFBRGZSHOPSW-SNVBAGLBSA-N 1 0 343.405 1.068 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NC[C@]2(C)CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000423526776 319781263 /nfs/dbraw/zinc/78/12/63/319781263.db2.gz QVQIBDJXDRSOBD-QGZVFWFLSA-N 1 0 349.387 1.891 20 5 EDBDRO Cc1cccc([C@@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000273025042 443522418 /nfs/dbraw/zinc/52/24/18/443522418.db2.gz BCFWLCBLONEDOB-NVXWUHKLSA-N 1 0 330.388 1.950 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000267655830 443529546 /nfs/dbraw/zinc/52/95/46/443529546.db2.gz CMPXCTRRDINONZ-DZGCQCFKSA-N 1 0 349.435 1.509 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272276419 443576550 /nfs/dbraw/zinc/57/65/50/443576550.db2.gz CFWNQGBPZZPTBL-FZMZJTMJSA-N 1 0 332.360 1.086 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000432526094 319956365 /nfs/dbraw/zinc/95/63/65/319956365.db2.gz LSLYYADZEZEWDT-XHDPSFHLSA-N 1 0 343.387 1.723 20 5 EDBDRO CN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1=O ZINC000450037102 320209875 /nfs/dbraw/zinc/20/98/75/320209875.db2.gz CRZYVLWVXDRDTQ-LBPRGKRZSA-N 1 0 343.343 1.131 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000452102596 320241799 /nfs/dbraw/zinc/24/17/99/320241799.db2.gz IJUMOZIRTPTQJH-LLVKDONJSA-N 1 0 345.396 1.837 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000457092262 320319352 /nfs/dbraw/zinc/31/93/52/320319352.db2.gz WVQKGUIADSEIAE-OAHLLOKOSA-N 1 0 348.403 1.266 20 5 EDBDRO COc1ccc(OCC[N@H+](CCOCCO)C(C)C)c([N+](=O)[O-])c1 ZINC000283813282 443728724 /nfs/dbraw/zinc/72/87/24/443728724.db2.gz XWSCCTXZENCWGU-UHFFFAOYSA-N 1 0 342.392 1.702 20 5 EDBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000527113974 320503538 /nfs/dbraw/zinc/50/35/38/320503538.db2.gz MFSSOJQDRDJJPA-UHFFFAOYSA-N 1 0 335.360 1.880 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000298681422 443837377 /nfs/dbraw/zinc/83/73/77/443837377.db2.gz RYBCTYSDHMAGPY-UHFFFAOYSA-N 1 0 348.403 1.704 20 5 EDBDRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000530386513 320622897 /nfs/dbraw/zinc/62/28/97/320622897.db2.gz XKMWOIAHYRAIAA-LLVKDONJSA-N 1 0 328.394 1.143 20 5 EDBDRO CC(C)(CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000276721089 443802602 /nfs/dbraw/zinc/80/26/02/443802602.db2.gz BSMXTJLCXAOHQP-UHFFFAOYSA-N 1 0 348.403 1.772 20 5 EDBDRO CNC(=O)[C@@]1(C)CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000281058828 443807078 /nfs/dbraw/zinc/80/70/78/443807078.db2.gz JSWHRJXWKNYKNN-KRWDZBQOSA-N 1 0 348.403 1.690 20 5 EDBDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000281074356 443811433 /nfs/dbraw/zinc/81/14/33/443811433.db2.gz AZULKJNMNRDKIS-LBPRGKRZSA-N 1 0 327.406 1.700 20 5 EDBDRO O=c1[nH]ccc2c1C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000277015889 443890281 /nfs/dbraw/zinc/89/02/81/443890281.db2.gz YYCUZJQPQOPQJZ-CQSZACIVSA-N 1 0 345.355 1.493 20 5 EDBDRO COc1cc(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000285209594 443896227 /nfs/dbraw/zinc/89/62/27/443896227.db2.gz WYLNXCGVFCLBAN-UONOGXRCSA-N 1 0 325.340 1.652 20 5 EDBDRO [NH3+][C@H]1CCc2nc(NC(=O)COc3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000288582988 443925689 /nfs/dbraw/zinc/92/56/89/443925689.db2.gz IRRIKNNEUWYOQS-VIFPVBQESA-N 1 0 348.384 1.885 20 5 EDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000285406842 443972990 /nfs/dbraw/zinc/97/29/90/443972990.db2.gz CWKXOJURZTWYBU-PMPSAXMXSA-N 1 0 349.431 1.893 20 5 EDBDRO Cc1cc(OCC(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000285714430 444082652 /nfs/dbraw/zinc/08/26/52/444082652.db2.gz JJPNJHINONABGM-HOTGVXAUSA-N 1 0 349.387 1.214 20 5 EDBDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)nc2)C1 ZINC000285724810 444086414 /nfs/dbraw/zinc/08/64/14/444086414.db2.gz JTLIHQOBCYTXOX-LLVKDONJSA-N 1 0 345.363 1.106 20 5 EDBDRO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)NC(=O)NC1=O ZINC000289271802 444092550 /nfs/dbraw/zinc/09/25/50/444092550.db2.gz GJHUOFMMGWBYFA-XJKSGUPXSA-N 1 0 332.360 1.547 20 5 EDBDRO Cc1cc(C)cc(C[C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000564854126 321151398 /nfs/dbraw/zinc/15/13/98/321151398.db2.gz JILBPRBPZCTKKT-PBHICJAKSA-N 1 0 332.404 1.990 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000564967928 321161003 /nfs/dbraw/zinc/16/10/03/321161003.db2.gz WECPRYABXPQPMU-ZYHUDNBSSA-N 1 0 327.406 1.515 20 5 EDBDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000566120276 321218063 /nfs/dbraw/zinc/21/80/63/321218063.db2.gz IXYYWJUXGXVXRY-LXZKKBNFSA-N 1 0 346.387 1.554 20 5 EDBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000567685889 321252142 /nfs/dbraw/zinc/25/21/42/321252142.db2.gz PSCVTQANVQEMER-BNOWGMLFSA-N 1 0 326.397 1.336 20 5 EDBDRO CCOc1cc(C)ccc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000568382295 321288875 /nfs/dbraw/zinc/28/88/75/321288875.db2.gz WVJBZAHQXWBMKI-OAHLLOKOSA-N 1 0 334.376 1.649 20 5 EDBDRO CC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000570570218 321348661 /nfs/dbraw/zinc/34/86/61/321348661.db2.gz LTRYHJPPUHEYHF-VNQPRFMTSA-N 1 0 326.393 1.720 20 5 EDBDRO Cc1cccnc1CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572149569 321418403 /nfs/dbraw/zinc/41/84/03/321418403.db2.gz KANYNAUPAPQBTH-CQSZACIVSA-N 1 0 331.372 1.870 20 5 EDBDRO CC(C)[C@H]1C[N@H+](C)CCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000301340516 444165429 /nfs/dbraw/zinc/16/54/29/444165429.db2.gz DUNBXZLIJLGUEP-CQSZACIVSA-N 1 0 342.421 1.019 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000289812196 444206610 /nfs/dbraw/zinc/20/66/10/444206610.db2.gz NYXRZRKLVKAXQS-CYBMUJFWSA-N 1 0 336.392 1.999 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000301483183 444174344 /nfs/dbraw/zinc/17/43/44/444174344.db2.gz XQTXPJQWJOERDG-LBPRGKRZSA-N 1 0 333.392 1.765 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[NH+]1CCCCC1 ZINC000290349101 444270361 /nfs/dbraw/zinc/27/03/61/444270361.db2.gz YFYUGIDNTWTCHD-UHFFFAOYSA-N 1 0 348.403 1.698 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC[C@H]1[NH3+] ZINC000317568868 444316372 /nfs/dbraw/zinc/31/63/72/444316372.db2.gz LJBMSRPNGRUDER-DGCLKSJQSA-N 1 0 327.406 1.651 20 5 EDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1Cl ZINC000321945247 444338115 /nfs/dbraw/zinc/33/81/15/444338115.db2.gz LCMZQOVGJGTTTH-VXGBXAGGSA-N 1 0 339.779 1.841 20 5 EDBDRO O=[N+]([O-])c1cccc(OCCN2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000578240584 321745612 /nfs/dbraw/zinc/74/56/12/321745612.db2.gz ZCFGPNDGIBWANW-UHFFFAOYSA-N 1 0 349.431 1.800 20 5 EDBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H](N4CC[NH2+]CC4)C3)c2c1 ZINC000326459074 444375955 /nfs/dbraw/zinc/37/59/55/444375955.db2.gz YDMKTNVDVZDJQQ-CYBMUJFWSA-N 1 0 328.376 1.022 20 5 EDBDRO CC[C@@]1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[NH2+]C1 ZINC000324855193 444358371 /nfs/dbraw/zinc/35/83/71/444358371.db2.gz FUNKREMFUQXZTD-QGZVFWFLSA-N 1 0 332.404 1.633 20 5 EDBDRO [NH3+]C[C@]12CCC[C@H]1CN(c1cc3nc[nH]c(=O)c3cc1[N+](=O)[O-])C2 ZINC000326429456 444375076 /nfs/dbraw/zinc/37/50/76/444375076.db2.gz DSNDOAWTBYTSOS-QFYYESIMSA-N 1 0 329.360 1.809 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000328310578 444385779 /nfs/dbraw/zinc/38/57/79/444385779.db2.gz BMYDZIVUCFZTBG-DOMZBBRYSA-N 1 0 341.371 1.267 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000298054903 444399676 /nfs/dbraw/zinc/39/96/76/444399676.db2.gz FRBHUHJBYPUNAK-FZMZJTMJSA-N 1 0 337.376 1.777 20 5 EDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000580345186 322040584 /nfs/dbraw/zinc/04/05/84/322040584.db2.gz XUZJQNNBLSSDQP-GFCCVEGCSA-N 1 0 339.392 1.426 20 5 EDBDRO C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000580436849 322051109 /nfs/dbraw/zinc/05/11/09/322051109.db2.gz XDRIHNAKOZJXJA-ONENECBXSA-N 1 0 336.323 1.403 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000332570814 444519501 /nfs/dbraw/zinc/51/95/01/444519501.db2.gz DFXBXLPOFNFWKM-ZDUSSCGKSA-N 1 0 339.417 1.680 20 5 EDBDRO C[C@H]([NH2+]C[C@@H]1CCCN1S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000338119715 444524383 /nfs/dbraw/zinc/52/43/83/444524383.db2.gz LMVDFNYANJZHOR-FZMZJTMJSA-N 1 0 327.406 1.669 20 5 EDBDRO COc1cc(C[NH2+]C[C@H](CO)c2cccnc2)c([N+](=O)[O-])cc1O ZINC000342295643 444616841 /nfs/dbraw/zinc/61/68/41/444616841.db2.gz IPFCRYXLYWGPIF-CYBMUJFWSA-N 1 0 333.344 1.570 20 5 EDBDRO CC1(C)NC(=O)CC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000338600316 444768810 /nfs/dbraw/zinc/76/88/10/444768810.db2.gz USLGDJHOQJZCRI-AWEZNQCLSA-N 1 0 346.387 1.131 20 5 EDBDRO C[C@@H]([NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000341584230 444908123 /nfs/dbraw/zinc/90/81/23/444908123.db2.gz INNRCUOYHXGULD-UMPJEAMMSA-N 1 0 337.420 1.716 20 5 EDBDRO COC[C@H]1C[C@H](OC)C[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000344366260 444922436 /nfs/dbraw/zinc/92/24/36/444922436.db2.gz LONDCXMPYIMVRO-OCCSQVGLSA-N 1 0 340.376 1.718 20 5 EDBDRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccc([N+](=O)[O-])nc2)c1 ZINC000344428239 444964351 /nfs/dbraw/zinc/96/43/51/444964351.db2.gz GHUCQZAXQXCFNG-UHFFFAOYSA-N 1 0 343.387 1.893 20 5 EDBDRO CC[N@@H+]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C)C1 ZINC000341781235 444999067 /nfs/dbraw/zinc/99/90/67/444999067.db2.gz VBVXZDRBWXZBOD-LBPRGKRZSA-N 1 0 349.387 1.461 20 5 EDBDRO CO[C@@H]1C[C@@H](CN(C)C(=O)COc2ccc([N+](=O)[O-])cc2)[N@H+](C)C1 ZINC000344496112 445011164 /nfs/dbraw/zinc/01/11/64/445011164.db2.gz LFGSIVICPTZFSD-DZGCQCFKSA-N 1 0 337.376 1.151 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2C[C@@H](OC)C[N@H+]2C)c1 ZINC000344500771 445014984 /nfs/dbraw/zinc/01/49/84/445014984.db2.gz ALACQJLVVSZCNH-DGCLKSJQSA-N 1 0 337.376 1.395 20 5 EDBDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337336989 445037978 /nfs/dbraw/zinc/03/79/78/445037978.db2.gz OESNOEDHCKYMBL-NEPJUHHUSA-N 1 0 334.376 1.509 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000330775542 445135685 /nfs/dbraw/zinc/13/56/85/445135685.db2.gz HOVDQFFXDAPQMP-LBPRGKRZSA-N 1 0 327.406 1.605 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000342008571 445120903 /nfs/dbraw/zinc/12/09/03/445120903.db2.gz BMNOXUOHWXUIRZ-SJCJKPOMSA-N 1 0 346.387 1.489 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CC[N@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000343215868 445143745 /nfs/dbraw/zinc/14/37/45/445143745.db2.gz NRIDNLABTFLJPR-ZDUSSCGKSA-N 1 0 336.392 1.861 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000337586611 445152594 /nfs/dbraw/zinc/15/25/94/445152594.db2.gz FLPKKTKPGDNTKC-UHFFFAOYSA-N 1 0 349.435 1.906 20 5 EDBDRO COc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000343414088 445218365 /nfs/dbraw/zinc/21/83/65/445218365.db2.gz XGGUKGAUASDYQR-MLGOLLRUSA-N 1 0 332.360 1.957 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000343495597 445233922 /nfs/dbraw/zinc/23/39/22/445233922.db2.gz GUUNTTJNSLHBDP-HZMBPMFUSA-N 1 0 335.360 1.594 20 5 EDBDRO CC(C)(C)[NH2+]CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000354463146 445248403 /nfs/dbraw/zinc/24/84/03/445248403.db2.gz VSCNQHNYXJIOHY-UHFFFAOYSA-N 1 0 331.376 1.898 20 5 EDBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000354514073 445273148 /nfs/dbraw/zinc/27/31/48/445273148.db2.gz OVMLFZHVOLCZMJ-ZDUSSCGKSA-N 1 0 332.404 1.981 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351854780 445344296 /nfs/dbraw/zinc/34/42/96/445344296.db2.gz RMJVCAYPTMTIFD-WOPDTQHZSA-N 1 0 336.392 1.600 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000351856968 445344372 /nfs/dbraw/zinc/34/43/72/445344372.db2.gz ABCJMLCXPNWYHA-VHSXEESVSA-N 1 0 326.784 1.856 20 5 EDBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000362510880 445417509 /nfs/dbraw/zinc/41/75/09/445417509.db2.gz MLJQUGSTPQOUPW-LSDHHAIUSA-N 1 0 328.340 1.644 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357085564 445417545 /nfs/dbraw/zinc/41/75/45/445417545.db2.gz KXWJODUEPJWAAN-CHWSQXEVSA-N 1 0 348.403 1.473 20 5 EDBDRO CC[NH+](CC)CCS(=O)(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000352234286 445515245 /nfs/dbraw/zinc/51/52/45/445515245.db2.gz JKRFOMYVYWMEDC-GFCCVEGCSA-N 1 0 329.422 1.917 20 5 EDBDRO C[C@@H]1C[C@@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[N@@H+]1C ZINC000352308160 445519249 /nfs/dbraw/zinc/51/92/49/445519249.db2.gz XCHGTWMHOJPHOG-CABCVRRESA-N 1 0 346.431 1.974 20 5 EDBDRO [NH3+][C@H]1CCc2ncc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2C1 ZINC000349045589 445487299 /nfs/dbraw/zinc/48/72/99/445487299.db2.gz FEWVXTHTBFNCSA-LBPRGKRZSA-N 1 0 342.355 1.823 20 5 EDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000362812076 445560424 /nfs/dbraw/zinc/56/04/24/445560424.db2.gz AEKVNSXQNYOAQX-CVEARBPZSA-N 1 0 333.388 1.507 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](OCC[NH+](C)C)C2)c1 ZINC000360119372 445577074 /nfs/dbraw/zinc/57/70/74/445577074.db2.gz UYZDVCOEKJWETI-ZDUSSCGKSA-N 1 0 337.376 1.538 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H]1C ZINC000357324303 445548069 /nfs/dbraw/zinc/54/80/69/445548069.db2.gz POADWYSKVNKLEP-RYUDHWBXSA-N 1 0 331.376 1.429 20 5 EDBDRO CC[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[N@@H+]1C[C@@H](C)O ZINC000357324749 445548762 /nfs/dbraw/zinc/54/87/62/445548762.db2.gz RQGGXXUYMDKFMH-OLZOCXBDSA-N 1 0 345.403 1.819 20 5 EDBDRO Nc1c(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000363117518 445685268 /nfs/dbraw/zinc/68/52/68/445685268.db2.gz HYZWKVDSRWPRHN-ZLKJLUDKSA-N 1 0 348.378 1.872 20 5 EDBDRO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000356243156 445695376 /nfs/dbraw/zinc/69/53/76/445695376.db2.gz KUNIWHQLACDOTJ-GFCCVEGCSA-N 1 0 338.408 1.098 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)CSC)cc1[N+](=O)[O-] ZINC000353757219 445741163 /nfs/dbraw/zinc/74/11/63/445741163.db2.gz HWBAFIZIJDPDFK-JTQLQIEISA-N 1 0 328.390 1.988 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000353760244 445741950 /nfs/dbraw/zinc/74/19/50/445741950.db2.gz QCJARQRJJVOFHH-NSHDSACASA-N 1 0 348.359 1.731 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000353761875 445743587 /nfs/dbraw/zinc/74/35/87/445743587.db2.gz FGDLIFFOFAWVTI-ZDUSSCGKSA-N 1 0 337.376 1.330 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]C[C@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000353775970 445749726 /nfs/dbraw/zinc/74/97/26/445749726.db2.gz JNHOUNKJEFOGJF-INIZCTEOSA-N 1 0 338.360 1.663 20 5 EDBDRO NC(=O)c1ccc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000363414788 445794995 /nfs/dbraw/zinc/79/49/95/445794995.db2.gz RKWUZUHZALAIOQ-MJBXVCDLSA-N 1 0 330.388 1.614 20 5 EDBDRO Cn1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)ccc1[N+](=O)[O-] ZINC000358918916 445848575 /nfs/dbraw/zinc/84/85/75/445848575.db2.gz KTNQHYJDJSPNRR-UHFFFAOYSA-N 1 0 344.375 1.332 20 5 EDBDRO O=[N+]([O-])c1cnccc1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000359094867 445942098 /nfs/dbraw/zinc/94/20/98/445942098.db2.gz LPHNKYKHHCBXFM-OAHLLOKOSA-N 1 0 328.372 1.590 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000369092331 445925323 /nfs/dbraw/zinc/92/53/23/445925323.db2.gz BOLVCECLGNFKMC-IYBDPMFKSA-N 1 0 341.415 1.892 20 5 EDBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000351143099 445999044 /nfs/dbraw/zinc/99/90/44/445999044.db2.gz RLPBRHXWHALQKN-LALPHHSUSA-N 1 0 349.387 1.877 20 5 EDBDRO CCOc1cc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000365051428 445994564 /nfs/dbraw/zinc/99/45/64/445994564.db2.gz HHUWNOYAORZEPC-HNNXBMFYSA-N 1 0 335.404 1.900 20 5 EDBDRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000369247484 446019872 /nfs/dbraw/zinc/01/98/72/446019872.db2.gz CEPNNHXZVILWJK-CQSZACIVSA-N 1 0 347.419 1.885 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC000583191232 326022044 /nfs/dbraw/zinc/02/20/44/326022044.db2.gz MBELBDFJFQRQDW-GFCCVEGCSA-N 1 0 346.391 1.725 20 5 EDBDRO CC(C)c1ccc(OCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000583850585 326150334 /nfs/dbraw/zinc/15/03/34/326150334.db2.gz CXZTUBABUQPLQC-MRXNPFEDSA-N 1 0 348.403 1.944 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000361941223 446090934 /nfs/dbraw/zinc/09/09/34/446090934.db2.gz ROONSPFQIXAPFC-CVEARBPZSA-N 1 0 335.404 1.634 20 5 EDBDRO O=C1O[C@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC12CCC2 ZINC000373218680 446101422 /nfs/dbraw/zinc/10/14/22/446101422.db2.gz IFVRCUHGNYWEAZ-ZDUSSCGKSA-N 1 0 334.376 1.914 20 5 EDBDRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000351504054 446110067 /nfs/dbraw/zinc/11/00/67/446110067.db2.gz UISUSTWHYPKQGH-RNCFNFMXSA-N 1 0 338.339 1.081 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000362022432 446159707 /nfs/dbraw/zinc/15/97/07/446159707.db2.gz MJTIUDXVOVQWLB-ZFWWWQNUSA-N 1 0 339.417 1.451 20 5 EDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000359348795 446166582 /nfs/dbraw/zinc/16/65/82/446166582.db2.gz VHFZLPMANUNPQU-CYBMUJFWSA-N 1 0 333.392 1.543 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1C ZINC000370170113 446186865 /nfs/dbraw/zinc/18/68/65/446186865.db2.gz BCQCEJNATROQBA-CHWSQXEVSA-N 1 0 339.417 1.584 20 5 EDBDRO CCc1nn(C)c(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000362010012 446148415 /nfs/dbraw/zinc/14/84/15/446148415.db2.gz MDMAMZUUGJCHIR-CYBMUJFWSA-N 1 0 336.440 1.107 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365537907 446245364 /nfs/dbraw/zinc/24/53/64/446245364.db2.gz LWWRSQCWXXADBO-LZWOXQAQSA-N 1 0 344.415 1.949 20 5 EDBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)c1ccco1 ZINC000359537007 446280617 /nfs/dbraw/zinc/28/06/17/446280617.db2.gz FVDHAODXJWYVTQ-QWRGUYRKSA-N 1 0 335.364 1.781 20 5 EDBDRO CCc1ccc([C@@H](CO)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000359538362 446280916 /nfs/dbraw/zinc/28/09/16/446280916.db2.gz MTNGNXQPYYYHIN-JKSUJKDBSA-N 1 0 334.376 1.038 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000359594589 446310440 /nfs/dbraw/zinc/31/04/40/446310440.db2.gz QLRKRCPVMOAJPS-CYBMUJFWSA-N 1 0 337.376 1.362 20 5 EDBDRO O=C(N[C@H]1CCCC[C@@H]1N1CCOCC1)c1ccc([N+](=O)[O-])cn1 ZINC000370548765 446327573 /nfs/dbraw/zinc/32/75/73/446327573.db2.gz WSSXNXIRUOGGLY-ZFWWWQNUSA-N 1 0 334.376 1.363 20 5 EDBDRO COC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000370560704 446332904 /nfs/dbraw/zinc/33/29/04/446332904.db2.gz DVKNTXXZKVJOPG-BXUZGUMPSA-N 1 0 335.360 1.664 20 5 EDBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[NH2+]CC1 ZINC000418087767 446437497 /nfs/dbraw/zinc/43/74/97/446437497.db2.gz IDJCPRCZHWZJPA-UHFFFAOYSA-N 1 0 332.282 1.728 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+](C)C(C)C ZINC000411239473 446438304 /nfs/dbraw/zinc/43/83/04/446438304.db2.gz FZUMEFZFONTICB-UHFFFAOYSA-N 1 0 336.392 1.607 20 5 EDBDRO C[C@H]1CN(c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)C[C@@H]1[NH3+] ZINC000420276324 446444845 /nfs/dbraw/zinc/44/48/45/446444845.db2.gz LYKPAMJLNWVVMN-CABZTGNLSA-N 1 0 349.778 1.578 20 5 EDBDRO C[C@H]1CN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000420277999 446446914 /nfs/dbraw/zinc/44/69/14/446446914.db2.gz NIFJQTHFUDDDBH-JQWIXIFHSA-N 1 0 329.360 1.343 20 5 EDBDRO COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000374866147 446423911 /nfs/dbraw/zinc/42/39/11/446423911.db2.gz UOUAZMUXMVABKS-YLFCFFPRSA-N 1 0 345.399 1.754 20 5 EDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418332450 446503620 /nfs/dbraw/zinc/50/36/20/446503620.db2.gz FSDPXHKJAQNDPW-AWEZNQCLSA-N 1 0 347.419 1.426 20 5 EDBDRO O=C(NC[C@H]1CCC[NH2+]C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418319280 446496664 /nfs/dbraw/zinc/49/66/64/446496664.db2.gz ORYPSRSSOXRYOD-AWEZNQCLSA-N 1 0 347.419 1.426 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420436193 446611258 /nfs/dbraw/zinc/61/12/58/446611258.db2.gz NZYVGVKILRKLJH-RISCZKNCSA-N 1 0 327.406 1.055 20 5 EDBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCCN(CC[NH+](C)C)CC1 ZINC000367945609 446613964 /nfs/dbraw/zinc/61/39/64/446613964.db2.gz RFAUTSCYGKTFOU-UHFFFAOYSA-N 1 0 334.420 1.871 20 5 EDBDRO COC(=O)COc1ccc(CNC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000453621072 446575058 /nfs/dbraw/zinc/57/50/58/446575058.db2.gz LWLCWQCURAWJGG-UHFFFAOYSA-N 1 0 339.392 1.576 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000411589900 446619108 /nfs/dbraw/zinc/61/91/08/446619108.db2.gz IJAKVVZASLKZAB-AWEZNQCLSA-N 1 0 348.403 1.783 20 5 EDBDRO O=C(NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)Nc1ccncc1[N+](=O)[O-] ZINC000367791532 446590090 /nfs/dbraw/zinc/59/00/90/446590090.db2.gz DFGLJTDCNYDSHW-OCCSQVGLSA-N 1 0 349.391 1.034 20 5 EDBDRO COC(=O)c1cc(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc([N+](=O)[O-])c1 ZINC000423603402 446599554 /nfs/dbraw/zinc/59/95/54/446599554.db2.gz GDTHVPIAKBEXFV-CQSZACIVSA-N 1 0 349.387 1.889 20 5 EDBDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000434415468 446645487 /nfs/dbraw/zinc/64/54/87/446645487.db2.gz IJQQHAFKHNNOHO-AWEZNQCLSA-N 1 0 325.340 1.311 20 5 EDBDRO COc1cc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc([N+](=O)[O-])c1C ZINC000423697992 446646601 /nfs/dbraw/zinc/64/66/01/446646601.db2.gz LZEHAYPSJQGHIM-LBPRGKRZSA-N 1 0 329.303 1.639 20 5 EDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000423721601 446659851 /nfs/dbraw/zinc/65/98/51/446659851.db2.gz IVDJNCCLGMMLEW-MGPLVRAMSA-N 1 0 329.360 2.189 20 5 EDBDRO [NH3+]CC[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C(F)F ZINC000418741457 446663417 /nfs/dbraw/zinc/66/34/17/446663417.db2.gz PZKKHWVBOJIZNY-GFCCVEGCSA-N 1 0 328.319 1.645 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[NH2+]CCC2(F)F)c1C ZINC000420451661 446627333 /nfs/dbraw/zinc/62/73/33/446627333.db2.gz VUFNMXGTTRDNLE-LLVKDONJSA-N 1 0 349.359 1.487 20 5 EDBDRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418756474 446675801 /nfs/dbraw/zinc/67/58/01/446675801.db2.gz HBABNNYJHJRREP-OAHLLOKOSA-N 1 0 334.376 1.041 20 5 EDBDRO COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2OC)CC[N@H+](C)C1 ZINC000411911335 446724762 /nfs/dbraw/zinc/72/47/62/446724762.db2.gz HEKCZUVMNPJWEL-ZDUSSCGKSA-N 1 0 337.376 1.140 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](CC)C1 ZINC000411923617 446735389 /nfs/dbraw/zinc/73/53/89/446735389.db2.gz WBZUZZDZCSEXSK-LBPRGKRZSA-N 1 0 334.376 1.306 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@@H]2CCOC[C@@H]21 ZINC000368321690 446785709 /nfs/dbraw/zinc/78/57/09/446785709.db2.gz NVGSTUIIELNMQV-JKSUJKDBSA-N 1 0 349.387 1.722 20 5 EDBDRO Cc1ccc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000454141004 446789420 /nfs/dbraw/zinc/78/94/20/446789420.db2.gz GBZCLHCRUZHTAP-AWEZNQCLSA-N 1 0 336.392 1.872 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@@H]([NH+](C)C)C2)c1F ZINC000411933624 446743303 /nfs/dbraw/zinc/74/33/03/446743303.db2.gz DNLOYKWMXQJXGR-LLVKDONJSA-N 1 0 339.367 1.838 20 5 EDBDRO Cc1cc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000368390884 446833628 /nfs/dbraw/zinc/83/36/28/446833628.db2.gz UGWKQJQDBUNDQE-KBPBESRZSA-N 1 0 334.376 1.888 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(c3nccs3)CC2)c1 ZINC000368403374 446840632 /nfs/dbraw/zinc/84/06/32/446840632.db2.gz CGEDLJKCRLNOHC-CYBMUJFWSA-N 1 0 337.405 1.488 20 5 EDBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000423972048 446802088 /nfs/dbraw/zinc/80/20/88/446802088.db2.gz HPLYPGADKDFQGC-OAHLLOKOSA-N 1 0 345.403 1.905 20 5 EDBDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420771760 446809188 /nfs/dbraw/zinc/80/91/88/446809188.db2.gz SPQUUYFAKCQBFY-AWEZNQCLSA-N 1 0 341.433 1.493 20 5 EDBDRO CC[C@@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000371436619 446855384 /nfs/dbraw/zinc/85/53/84/446855384.db2.gz ANTMTDXXZVVEON-OAHLLOKOSA-N 1 0 345.407 1.828 20 5 EDBDRO O=C1Nc2ccccc2[C@]12CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000368786960 447105986 /nfs/dbraw/zinc/10/59/86/447105986.db2.gz QOENLARVFYSARF-MRXNPFEDSA-N 1 0 327.344 1.387 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000421295598 447109727 /nfs/dbraw/zinc/10/97/27/447109727.db2.gz BEYJNEGBTHGMBJ-CYBMUJFWSA-N 1 0 334.376 1.394 20 5 EDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000455330299 447109776 /nfs/dbraw/zinc/10/97/76/447109776.db2.gz JYWZRAGQAVVHPS-GFCCVEGCSA-N 1 0 340.355 1.702 20 5 EDBDRO CS[C@@H]1CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000425339953 447122215 /nfs/dbraw/zinc/12/22/15/447122215.db2.gz DGHCHGYSLWNNMA-CMPLNLGQSA-N 1 0 345.446 1.357 20 5 EDBDRO C[C@H]1C[N@@H+](C2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)CCO1 ZINC000368753548 447085718 /nfs/dbraw/zinc/08/57/18/447085718.db2.gz ZRAKQPFIGGULEZ-LBPRGKRZSA-N 1 0 348.403 1.383 20 5 EDBDRO CNC(=O)[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000421391804 447146698 /nfs/dbraw/zinc/14/66/98/447146698.db2.gz UNCJKOPSVDASFT-CYBMUJFWSA-N 1 0 343.387 1.563 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000445892324 447204646 /nfs/dbraw/zinc/20/46/46/447204646.db2.gz AULRHDUGXDAJOO-HNNXBMFYSA-N 1 0 348.403 1.383 20 5 EDBDRO O=C(NC1CC1)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000372723559 447247146 /nfs/dbraw/zinc/24/71/46/447247146.db2.gz CFSGVBHXWMJXMS-MRXNPFEDSA-N 1 0 333.388 1.619 20 5 EDBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000372696004 447230544 /nfs/dbraw/zinc/23/05/44/447230544.db2.gz OOGVIMUVZMIVFF-NSHDSACASA-N 1 0 341.795 1.777 20 5 EDBDRO CCOc1cc(CN2CCC[N@@H+]([C@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000372807021 447294161 /nfs/dbraw/zinc/29/41/61/447294161.db2.gz QSAWWTFGEFJSDR-CQSZACIVSA-N 1 0 337.420 1.882 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000447915291 447297110 /nfs/dbraw/zinc/29/71/10/447297110.db2.gz RCJLQWMFYIRVLY-GJZGRUSLSA-N 1 0 337.376 1.361 20 5 EDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000377701791 447304216 /nfs/dbraw/zinc/30/42/16/447304216.db2.gz KZSUJABMQSNUKA-BBRMVZONSA-N 1 0 344.419 2.527 20 5 EDBDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000415493085 447476850 /nfs/dbraw/zinc/47/68/50/447476850.db2.gz GCOFBDZHBPWMSI-GFCCVEGCSA-N 1 0 336.392 1.729 20 5 EDBDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000415493086 447477275 /nfs/dbraw/zinc/47/72/75/447477275.db2.gz GCOFBDZHBPWMSI-LBPRGKRZSA-N 1 0 336.392 1.729 20 5 EDBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000415508610 447486916 /nfs/dbraw/zinc/48/69/16/447486916.db2.gz VHLVPFAOVSSRIW-AWEZNQCLSA-N 1 0 349.391 1.446 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000422395037 447525395 /nfs/dbraw/zinc/52/53/95/447525395.db2.gz DWQIFLJFMAUFMR-ZFWWWQNUSA-N 1 0 348.403 1.373 20 5 EDBDRO CC[N@H+](CCNC(=O)Cn1ccc([N+](=O)[O-])n1)CCC(F)(F)F ZINC000427280113 447574864 /nfs/dbraw/zinc/57/48/64/447574864.db2.gz IAXFHQZABJVZQN-UHFFFAOYSA-N 1 0 337.302 1.182 20 5 EDBDRO COc1cc(OCC(=O)NC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000457215530 447544609 /nfs/dbraw/zinc/54/46/09/447544609.db2.gz ZDLZADUANVYQRB-UHFFFAOYSA-N 1 0 325.365 1.439 20 5 EDBDRO C[C@H](C(=O)NC[C@@](C)(O)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000420021178 447550454 /nfs/dbraw/zinc/55/04/54/447550454.db2.gz UEKPLKCGVRNWRQ-ZBEGNZNMSA-N 1 0 341.383 1.656 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397698185 447550656 /nfs/dbraw/zinc/55/06/56/447550656.db2.gz SXYMDWAWHIQTJX-UHFFFAOYSA-N 1 0 345.403 1.767 20 5 EDBDRO COC(=O)[C@@H](C)NC(=O)c1ccc(NCC[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000420154723 447641726 /nfs/dbraw/zinc/64/17/26/447641726.db2.gz JGZZZNZCLWXSHO-NXEZZACHSA-N 1 0 338.364 1.035 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000422557397 447642018 /nfs/dbraw/zinc/64/20/18/447642018.db2.gz VZQBPBIROVZYNS-DRZSPHRISA-N 1 0 341.433 1.897 20 5 EDBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)[C@H]1CCC[NH2+]C1 ZINC000420160198 447645872 /nfs/dbraw/zinc/64/58/72/447645872.db2.gz ISHOMSJGTNKOQZ-ZJUUUORDSA-N 1 0 328.394 1.042 20 5 EDBDRO C[C@H](Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)[C@H]1CCC[NH2+]C1 ZINC000420162268 447646437 /nfs/dbraw/zinc/64/64/37/447646437.db2.gz KGOLUJJRVWBDQT-UWVGGRQHSA-N 1 0 328.394 1.042 20 5 EDBDRO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000495820522 447593692 /nfs/dbraw/zinc/59/36/92/447593692.db2.gz YGGMUVBPOQUWTC-CYBMUJFWSA-N 1 0 339.396 1.780 20 5 EDBDRO COc1cc(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)ccc1[N+](=O)[O-] ZINC000450892379 447607045 /nfs/dbraw/zinc/60/70/45/447607045.db2.gz NTQBKOWXTAWXMF-CYBMUJFWSA-N 1 0 348.403 1.394 20 5 EDBDRO O=C(NC1CC1)c1ccc(N2CCC3(CC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC000422534818 447623647 /nfs/dbraw/zinc/62/36/47/447623647.db2.gz BQMGRQMRWFCJMP-UHFFFAOYSA-N 1 0 330.388 1.819 20 5 EDBDRO CC(C)[C@H]([NH3+])CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000420198939 447666451 /nfs/dbraw/zinc/66/64/51/447666451.db2.gz MWPFGEWLOSYKJJ-GFCCVEGCSA-N 1 0 331.376 1.955 20 5 EDBDRO CN(CC(C)(C)C[NH3+])c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000420206878 447670590 /nfs/dbraw/zinc/67/05/90/447670590.db2.gz QEMKSUKFGRJYJJ-UHFFFAOYSA-N 1 0 336.436 1.848 20 5 EDBDRO C[NH2+]CCN(C)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000416918117 447708718 /nfs/dbraw/zinc/70/87/18/447708718.db2.gz KPXQTRXLXVQLCG-UHFFFAOYSA-N 1 0 340.380 1.015 20 5 EDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C[NH+](C)C ZINC000452002773 447799447 /nfs/dbraw/zinc/79/94/47/447799447.db2.gz HXXKWVROFVOQGP-LBPRGKRZSA-N 1 0 331.376 1.708 20 5 EDBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488724001 447849760 /nfs/dbraw/zinc/84/97/60/447849760.db2.gz BMPSQMWDDUYKJS-XUJVJEKNSA-N 1 0 332.404 1.860 20 5 EDBDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])C1CC1 ZINC000549327388 447872482 /nfs/dbraw/zinc/87/24/82/447872482.db2.gz LNCRXESNSLUBDC-HNNXBMFYSA-N 1 0 343.387 1.958 20 5 EDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000524774971 447951624 /nfs/dbraw/zinc/95/16/24/447951624.db2.gz LDWFMJLARCWEFY-NSHDSACASA-N 1 0 335.360 1.438 20 5 EDBDRO O=C(CN1CC[C@@H](CN2CCOC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000496842817 447961134 /nfs/dbraw/zinc/96/11/34/447961134.db2.gz YNKYHRKTNUJMNM-GFCCVEGCSA-N 1 0 348.359 1.307 20 5 EDBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])cn2C)C[C@H](C)O1 ZINC000531013734 448000914 /nfs/dbraw/zinc/00/09/14/448000914.db2.gz CUHVINQMWZISHV-BETUJISGSA-N 1 0 338.408 1.553 20 5 EDBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1OC ZINC000525055348 447966171 /nfs/dbraw/zinc/96/61/71/447966171.db2.gz PZLSIPKGQFOWSD-NSHDSACASA-N 1 0 337.376 1.684 20 5 EDBDRO C[C@@H]1C[C@H]([NH3+])CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000576357687 448037238 /nfs/dbraw/zinc/03/72/38/448037238.db2.gz SFMBPLTVOXVFFP-MWLCHTKSSA-N 1 0 326.784 1.998 20 5 EDBDRO O=C1NC(=O)C2(CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)N1 ZINC000491896659 448146340 /nfs/dbraw/zinc/14/63/40/448146340.db2.gz XETRENYRDXKNHP-UHFFFAOYSA-N 1 0 338.751 1.422 20 5 EDBDRO COc1cc(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c([N+](=O)[O-])cc1O ZINC000514729786 448194205 /nfs/dbraw/zinc/19/42/05/448194205.db2.gz NHOREOJXFBQZEZ-JTQLQIEISA-N 1 0 335.360 1.410 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000591054011 448245323 /nfs/dbraw/zinc/24/53/23/448245323.db2.gz XNOKFZYBJWAHJP-HYVNUMGLSA-N 1 0 347.415 1.925 20 5 EDBDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1 ZINC000572056453 448273556 /nfs/dbraw/zinc/27/35/56/448273556.db2.gz SSPZOLPLFDJDHG-UHFFFAOYSA-N 1 0 329.360 1.564 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000591303623 448314880 /nfs/dbraw/zinc/31/48/80/448314880.db2.gz VFYLTBXOXMXHNO-CQSZACIVSA-N 1 0 334.376 1.298 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000591303527 448315112 /nfs/dbraw/zinc/31/51/12/448315112.db2.gz ILFOLXMKYVABGL-CYBMUJFWSA-N 1 0 334.376 1.298 20 5 EDBDRO C[C@@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)C[NH3+] ZINC000577475089 448305656 /nfs/dbraw/zinc/30/56/56/448305656.db2.gz UKCCREARKMHHGM-MLGOLLRUSA-N 1 0 336.392 1.600 20 5 EDBDRO CS(=O)(=O)c1ccc(N2CC[C@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC000591436530 448362140 /nfs/dbraw/zinc/36/21/40/448362140.db2.gz BHLIMHGRMNUVKA-PWSUYJOCSA-N 1 0 325.390 1.187 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000591450074 448368310 /nfs/dbraw/zinc/36/83/10/448368310.db2.gz JQPHJLQIXCIWOK-NSHDSACASA-N 1 0 331.394 1.255 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000591354750 448337284 /nfs/dbraw/zinc/33/72/84/448337284.db2.gz WWSBFOKKKJZVHK-HUBLWGQQSA-N 1 0 336.392 1.722 20 5 EDBDRO COc1ccc(OCCN2CCC[C@@]23CCNC3=O)c([N+](=O)[O-])c1 ZINC000583092137 448423404 /nfs/dbraw/zinc/42/34/04/448423404.db2.gz GUUMWERXQHCLJR-INIZCTEOSA-N 1 0 335.360 1.337 20 5 EDBDRO COc1ccc(C(C)(C)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000591728179 448474269 /nfs/dbraw/zinc/47/42/69/448474269.db2.gz PJFUZWWQZXYONH-HNNXBMFYSA-N 1 0 348.403 1.728 20 5 EDBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCCO1 ZINC000591753794 448481402 /nfs/dbraw/zinc/48/14/02/448481402.db2.gz KSHQXHUOAKBMFK-ZIAGYGMSSA-N 1 0 326.397 1.337 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCc3cc(O)ccc3C2)c1 ZINC000591763596 448485273 /nfs/dbraw/zinc/48/52/73/448485273.db2.gz MWHKTWMELFRZPO-XJKSGUPXSA-N 1 0 332.360 1.005 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000584350638 448494191 /nfs/dbraw/zinc/49/41/91/448494191.db2.gz VXGQCIBEFFMGIA-PWSUYJOCSA-N 1 0 337.376 1.669 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)cn1 ZINC000535720443 448502680 /nfs/dbraw/zinc/50/26/80/448502680.db2.gz DHZNGAFRUXXRKX-KRWDZBQOSA-N 1 0 342.399 1.715 20 5 EDBDRO O=C(NCC1CC[NH2+]CC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000573089796 448539986 /nfs/dbraw/zinc/53/99/86/448539986.db2.gz QJTKFYZRWIUZDX-UHFFFAOYSA-N 1 0 330.344 1.578 20 5 EDBDRO [NH3+]Cc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)co1 ZINC000592007685 448621927 /nfs/dbraw/zinc/62/19/27/448621927.db2.gz HVGAKOKFVGSBDZ-UHFFFAOYSA-N 1 0 331.332 1.004 20 5 EDBDRO C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000578639710 448600410 /nfs/dbraw/zinc/60/04/10/448600410.db2.gz DIDCUFFZVBAMGY-GXFFZTMASA-N 1 0 340.330 1.824 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000592053935 448650827 /nfs/dbraw/zinc/65/08/27/448650827.db2.gz LQCHXURAAKXRMI-IUODEOHRSA-N 1 0 339.417 1.482 20 5 EDBDRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000567522233 448710371 /nfs/dbraw/zinc/71/03/71/448710371.db2.gz JZUVWGPMZPMLDX-LBPRGKRZSA-N 1 0 327.406 1.584 20 5 EDBDRO O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000592156327 448716843 /nfs/dbraw/zinc/71/68/43/448716843.db2.gz YHVCJVOYBQCRKK-OAHLLOKOSA-N 1 0 343.387 1.430 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592255145 448764978 /nfs/dbraw/zinc/76/49/78/448764978.db2.gz MZSWNYWLWWTBTQ-RYUDHWBXSA-N 1 0 334.376 1.547 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C)([NH3+])CC1 ZINC000592378210 448811598 /nfs/dbraw/zinc/81/15/98/448811598.db2.gz ASDHNFFOMPEWEI-UHFFFAOYSA-N 1 0 327.406 1.659 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CCC(C)([NH3+])CC2)cc1[N+](=O)[O-] ZINC000592379741 448812645 /nfs/dbraw/zinc/81/26/45/448812645.db2.gz NNPSPUNNEZNISI-UHFFFAOYSA-N 1 0 327.406 1.714 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC2CC[NH2+]CC2)c1 ZINC000567850601 448773074 /nfs/dbraw/zinc/77/30/74/448773074.db2.gz OTEUPCJGJYDOQW-UHFFFAOYSA-N 1 0 327.406 1.490 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC[C@H]1[NH3+] ZINC000592382023 448814249 /nfs/dbraw/zinc/81/42/49/448814249.db2.gz FPRMEPMNXMHBDX-TZMCWYRMSA-N 1 0 341.433 1.960 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](c2ccccc2)C2CC2)c1 ZINC000519594689 448793646 /nfs/dbraw/zinc/79/36/46/448793646.db2.gz JXJNTZYCOBRZHL-IAGOWNOFSA-N 1 0 330.388 1.936 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CC[C@H](O)C2)cc1 ZINC000592431259 448833286 /nfs/dbraw/zinc/83/32/86/448833286.db2.gz ACUOMMLHCVRLBI-AAEUAGOBSA-N 1 0 328.390 1.119 20 5 EDBDRO CC(C)[C@H]([NH3+])CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592471085 448851195 /nfs/dbraw/zinc/85/11/95/448851195.db2.gz UCVFPUUIKZVZID-CQSZACIVSA-N 1 0 334.420 1.911 20 5 EDBDRO COc1cc(CC[NH2+]C[C@@H](C)S(C)(=O)=O)c([N+](=O)[O-])cc1OC ZINC000574402323 448866169 /nfs/dbraw/zinc/86/61/69/448866169.db2.gz WOFJATCTOPGVPX-SNVBAGLBSA-N 1 0 346.405 1.177 20 5 EDBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000520510463 448904896 /nfs/dbraw/zinc/90/48/96/448904896.db2.gz WUUAKSNOSUNBNZ-UHFFFAOYSA-N 1 0 333.348 1.949 20 5 EDBDRO NS(=O)(=O)c1cccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000568684580 448905032 /nfs/dbraw/zinc/90/50/32/448905032.db2.gz XJENJKVKILRHFG-JTQLQIEISA-N 1 0 340.405 1.138 20 5 EDBDRO CCCN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592833319 449009182 /nfs/dbraw/zinc/00/91/82/449009182.db2.gz YLUXGMSKFRJAJQ-OAHLLOKOSA-N 1 0 348.403 1.267 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@](C)(C(=O)OC)C2)c1 ZINC000589503685 449026800 /nfs/dbraw/zinc/02/68/00/449026800.db2.gz SSOPJHNHEPBVGD-MRXNPFEDSA-N 1 0 336.344 1.766 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@](C)(C(=O)OC)C2)c1 ZINC000589503681 449027239 /nfs/dbraw/zinc/02/72/39/449027239.db2.gz SSOPJHNHEPBVGD-INIZCTEOSA-N 1 0 336.344 1.766 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000522287645 449074518 /nfs/dbraw/zinc/07/45/18/449074518.db2.gz AQAFKEODZYUREQ-LBPRGKRZSA-N 1 0 334.376 1.510 20 5 EDBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c2c(c1)COCO2 ZINC000595613062 449079770 /nfs/dbraw/zinc/07/97/70/449079770.db2.gz ZMQYHLSOTZXCBT-GFCCVEGCSA-N 1 0 345.359 1.575 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000589928216 449082400 /nfs/dbraw/zinc/08/24/00/449082400.db2.gz DUWMDIASJBWDFS-GXTWGEPZSA-N 1 0 339.417 1.536 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1 ZINC000595632389 449090876 /nfs/dbraw/zinc/09/08/76/449090876.db2.gz FMLNQNCHPZSISF-XRGAULLZSA-N 1 0 336.388 1.427 20 5 EDBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595678111 449115721 /nfs/dbraw/zinc/11/57/21/449115721.db2.gz QPBLSPZUGHTOKU-RBSFLKMASA-N 1 0 338.404 1.817 20 5 EDBDRO O=C(NC[C@H]1COCC[NH2+]1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599938149 449117032 /nfs/dbraw/zinc/11/70/32/449117032.db2.gz HJWJQRLETSEZRC-GJZGRUSLSA-N 1 0 348.403 1.472 20 5 EDBDRO C[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1CCO ZINC000595701171 449123963 /nfs/dbraw/zinc/12/39/63/449123963.db2.gz QXBWHTBATKIDCX-KMFMINBZSA-N 1 0 338.404 1.817 20 5 EDBDRO CCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CC[N@H+](C)C1 ZINC000597945558 449154667 /nfs/dbraw/zinc/15/46/67/449154667.db2.gz IDAXFBOMRFTAHK-HNNXBMFYSA-N 1 0 343.387 1.947 20 5 EDBDRO [NH3+]CC1(CCNC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000593715290 449157856 /nfs/dbraw/zinc/15/78/56/449157856.db2.gz HWWRPLXGGMPHCE-UHFFFAOYSA-N 1 0 347.419 1.555 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000593722663 449160265 /nfs/dbraw/zinc/16/02/65/449160265.db2.gz JKLQEQXDGNEPPI-UHFFFAOYSA-N 1 0 348.403 1.786 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000595783144 449163671 /nfs/dbraw/zinc/16/36/71/449163671.db2.gz RINDMMFAGMPYOC-CABCVRRESA-N 1 0 349.387 1.825 20 5 EDBDRO C[C@@H]1C[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H](C)C1O ZINC000595744208 449143321 /nfs/dbraw/zinc/14/33/21/449143321.db2.gz VVBUHSHCTAZUIP-LALPHHSUSA-N 1 0 333.388 1.649 20 5 EDBDRO CCN1C[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593689182 449149096 /nfs/dbraw/zinc/14/90/96/449149096.db2.gz KJIXADJUYGXSSF-STQMWFEESA-N 1 0 348.403 1.770 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCOCC2)CC1 ZINC000600111766 449195836 /nfs/dbraw/zinc/19/58/36/449195836.db2.gz MEJRHTVPQLQCDY-UHFFFAOYSA-N 1 0 349.387 1.297 20 5 EDBDRO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3c([N+](=O)[O-])cnn3C)C2)cc1 ZINC000601881125 449203714 /nfs/dbraw/zinc/20/37/14/449203714.db2.gz RLRLTBQDVUNLED-AWEZNQCLSA-N 1 0 343.387 1.641 20 5 EDBDRO CC1(C)CC(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC000611199213 449212173 /nfs/dbraw/zinc/21/21/73/449212173.db2.gz PITXVMKIAAJLQQ-UHFFFAOYSA-N 1 0 336.392 1.182 20 5 EDBDRO CNS(=O)(=O)c1ccc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000611256799 449240563 /nfs/dbraw/zinc/24/05/63/449240563.db2.gz GTHSINYBLCOHFW-GHMZBOCLSA-N 1 0 342.421 1.032 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC2CC1(C[NH3+])C2 ZINC000595907736 449245873 /nfs/dbraw/zinc/24/58/73/449245873.db2.gz FEFCKNQIIFHHHX-VHTNMKBUSA-N 1 0 334.376 1.354 20 5 EDBDRO NC(=O)CCC1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611273057 449245930 /nfs/dbraw/zinc/24/59/30/449245930.db2.gz RCRWFVCDWBPNOV-UHFFFAOYSA-N 1 0 349.387 1.844 20 5 EDBDRO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000593920536 449287940 /nfs/dbraw/zinc/28/79/40/449287940.db2.gz KYAVEZCAZGYMSE-DGCLKSJQSA-N 1 0 327.406 1.279 20 5 EDBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000590800594 449300030 /nfs/dbraw/zinc/30/00/30/449300030.db2.gz AVSSZWJTWDEYDR-UHFFFAOYSA-N 1 0 337.424 1.079 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000593904354 449275532 /nfs/dbraw/zinc/27/55/32/449275532.db2.gz ZDIHUCCLBZPWEO-AWEZNQCLSA-N 1 0 329.360 1.240 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N(C)[C@H]2CC[NH2+]C2)c1 ZINC000593904241 449275824 /nfs/dbraw/zinc/27/58/24/449275824.db2.gz PSBRAVWDLYDPPP-HNNXBMFYSA-N 1 0 343.387 1.582 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NCC[C@@H]([NH3+])C(C)C)cc([N+](=O)[O-])c1 ZINC000595951803 449277519 /nfs/dbraw/zinc/27/75/19/449277519.db2.gz RTLNHTQHGJPZHD-CQSZACIVSA-N 1 0 337.376 1.875 20 5 EDBDRO COCC[NH2+]C1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000593911194 449280249 /nfs/dbraw/zinc/28/02/49/449280249.db2.gz FOGSMQZVYTUTKK-UHFFFAOYSA-N 1 0 337.376 1.444 20 5 EDBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593527200 449325601 /nfs/dbraw/zinc/32/56/01/449325601.db2.gz DBMUXMZRGQTKSY-UHFFFAOYSA-N 1 0 328.394 1.095 20 5 EDBDRO CC(C)(C(=O)NCc1ccc(C[NH3+])cc1F)n1cc([N+](=O)[O-])cn1 ZINC000593916560 449284393 /nfs/dbraw/zinc/28/43/93/449284393.db2.gz QRUDPHAFSGRDKL-UHFFFAOYSA-N 1 0 335.339 1.441 20 5 EDBDRO CCO[C@@H]1CN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593916387 449284474 /nfs/dbraw/zinc/28/44/74/449284474.db2.gz JHTKQORVVYTRDI-DGCLKSJQSA-N 1 0 339.417 1.753 20 5 EDBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000596130387 449379078 /nfs/dbraw/zinc/37/90/78/449379078.db2.gz WTHYPZOBAQGSIY-KRWDZBQOSA-N 1 0 348.403 1.699 20 5 EDBDRO C[N@H+](CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)CC(C)(C)C ZINC000602100538 449345238 /nfs/dbraw/zinc/34/52/38/449345238.db2.gz CTLDMANCSXULLT-CYBMUJFWSA-N 1 0 349.435 1.981 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000594105955 449356811 /nfs/dbraw/zinc/35/68/11/449356811.db2.gz KDLMVTMOSRMOON-JNSHFYNHSA-N 1 0 348.403 1.171 20 5 EDBDRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000602167661 449398743 /nfs/dbraw/zinc/39/87/43/449398743.db2.gz QMYRSGODVAIPPD-TXEJJXNPSA-N 1 0 347.371 1.723 20 5 EDBDRO COc1cc(N2CCC([NH2+]CCO)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596180660 449400783 /nfs/dbraw/zinc/40/07/83/449400783.db2.gz WYTPAHRBLVWTKE-UHFFFAOYSA-N 1 0 329.784 1.808 20 5 EDBDRO CN(C)CC[N@H+](C)CCCN(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596233243 449430792 /nfs/dbraw/zinc/43/07/92/449430792.db2.gz BMVWBUZRDPPTPJ-UHFFFAOYSA-N 1 0 337.424 1.013 20 5 EDBDRO Cc1cc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c([N+](=O)[O-])s1 ZINC000596167640 449393927 /nfs/dbraw/zinc/39/39/27/449393927.db2.gz FSSIVSNGAVIQBO-LBPRGKRZSA-N 1 0 338.433 1.708 20 5 EDBDRO CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000600622616 449464040 /nfs/dbraw/zinc/46/40/40/449464040.db2.gz JSZWUEGODSDCQL-KWCYVHTRSA-N 1 0 348.403 1.549 20 5 EDBDRO CNc1nccc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598559787 449466509 /nfs/dbraw/zinc/46/65/09/449466509.db2.gz ZLOATONSQWFYFT-ZDUSSCGKSA-N 1 0 347.419 1.883 20 5 EDBDRO COc1cc(OCC(=O)N2CC[NH2+][C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000598572904 449471821 /nfs/dbraw/zinc/47/18/21/449471821.db2.gz MRNXNTAPATXPLF-ZDUSSCGKSA-N 1 0 337.376 1.439 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598593411 449481410 /nfs/dbraw/zinc/48/14/10/449481410.db2.gz STNXWKNVIJUMME-LLVKDONJSA-N 1 0 338.364 1.299 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1C ZINC000600669984 449483157 /nfs/dbraw/zinc/48/31/57/449483157.db2.gz ZNXMFGSWMWJWGA-JYAVWHMHSA-N 1 0 339.417 1.392 20 5 EDBDRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000600669662 449483403 /nfs/dbraw/zinc/48/34/03/449483403.db2.gz SMJVXDNLGIHPEJ-IWIIMEHWSA-N 1 0 345.808 1.429 20 5 EDBDRO CSc1cccc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000594394175 449490924 /nfs/dbraw/zinc/49/09/24/449490924.db2.gz UOKHWRODYDUSCY-WDEREUQCSA-N 1 0 337.401 1.208 20 5 EDBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000594294978 449436031 /nfs/dbraw/zinc/43/60/31/449436031.db2.gz HRHPLOSGAYFFOO-UHFFFAOYSA-N 1 0 349.435 2.156 20 5 EDBDRO CC[C@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000598665248 449527176 /nfs/dbraw/zinc/52/71/76/449527176.db2.gz NUCIVWKFDWXAAN-FZMZJTMJSA-N 1 0 349.391 1.302 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000612030433 449527929 /nfs/dbraw/zinc/52/79/29/449527929.db2.gz HDILVIJBGVJZRW-CABCVRRESA-N 1 0 346.387 1.868 20 5 EDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598665672 449528203 /nfs/dbraw/zinc/52/82/03/449528203.db2.gz XOKHAJOPTVADAW-LBPRGKRZSA-N 1 0 337.380 1.206 20 5 EDBDRO [NH3+][C@@]12CCC[C@@H]1CN(CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000598681517 449539836 /nfs/dbraw/zinc/53/98/36/449539836.db2.gz GMFHOMXKHNUDEG-SJKOYZFVSA-N 1 0 346.387 1.706 20 5 EDBDRO CN(CC1C[NH+](C)C1)c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000596455025 449510402 /nfs/dbraw/zinc/51/04/02/449510402.db2.gz ZZRPXGHTZXBTNZ-UHFFFAOYSA-N 1 0 348.403 1.065 20 5 EDBDRO CCOc1cc(C(=O)NCC2([NH2+]C)CCC2)c([N+](=O)[O-])cc1OC ZINC000600823510 449565256 /nfs/dbraw/zinc/56/52/56/449565256.db2.gz FVXLEKOGVNQBPZ-UHFFFAOYSA-N 1 0 337.376 1.874 20 5 EDBDRO Cc1c(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cccc1[N+](=O)[O-] ZINC000596634832 449580167 /nfs/dbraw/zinc/58/01/67/449580167.db2.gz DGKJFGHYFTWDEB-AWEZNQCLSA-N 1 0 348.403 1.966 20 5 EDBDRO CC(C)[NH2+][C@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000612098806 449561165 /nfs/dbraw/zinc/56/11/65/449561165.db2.gz ITVFLUOCQHXWNT-GJZGRUSLSA-N 1 0 337.420 1.797 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc1C ZINC000598720623 449562112 /nfs/dbraw/zinc/56/21/12/449562112.db2.gz PZUGQVAQTPHBDC-WFASDCNBSA-N 1 0 339.417 1.714 20 5 EDBDRO COc1ccc(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000612104336 449563404 /nfs/dbraw/zinc/56/34/04/449563404.db2.gz NMBREKKCKOPMJC-AWEZNQCLSA-N 1 0 347.371 1.870 20 5 EDBDRO C[NH2+]CCOCCN(C)c1ncc(Br)cc1[N+](=O)[O-] ZINC000600951479 449612488 /nfs/dbraw/zinc/61/24/88/449612488.db2.gz KEOJXSAIGGXNEW-UHFFFAOYSA-N 1 0 333.186 1.425 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)c1 ZINC000594731965 449655692 /nfs/dbraw/zinc/65/56/92/449655692.db2.gz HRIGAWAWTBEMKN-XIRDDKMYSA-N 1 0 346.387 1.315 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601032713 449664209 /nfs/dbraw/zinc/66/42/09/449664209.db2.gz ZZNACEDNHPDOTR-UHFFFAOYSA-N 1 0 335.404 1.711 20 5 EDBDRO C[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)CN1CCOCC1 ZINC000602549782 449667594 /nfs/dbraw/zinc/66/75/94/449667594.db2.gz DUWKEGNNUYHAAX-LBPRGKRZSA-N 1 0 334.376 1.794 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCc4c[nH]nc4C3)CC2)cn1 ZINC000602566974 449677915 /nfs/dbraw/zinc/67/79/15/449677915.db2.gz FYTATGMLIUEKQD-CQSZACIVSA-N 1 0 342.403 1.829 20 5 EDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCC2CCS(=O)(=O)CC2)cc1 ZINC000602576147 449683703 /nfs/dbraw/zinc/68/37/03/449683703.db2.gz NDUZCBHARACPFS-UHFFFAOYSA-N 1 0 326.418 1.942 20 5 EDBDRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000598913550 449644351 /nfs/dbraw/zinc/64/43/51/449644351.db2.gz LZZOYMPDQSVJLT-CQSZACIVSA-N 1 0 345.363 1.514 20 5 EDBDRO Cn1c(Sc2ncc(F)cc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000601118952 449701338 /nfs/dbraw/zinc/70/13/38/449701338.db2.gz RUVVYOSSJIARLS-QMMMGPOBSA-N 1 0 338.368 1.876 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000599094272 449728916 /nfs/dbraw/zinc/72/89/16/449728916.db2.gz SJQQNNZRSXZNPY-HYVNUMGLSA-N 1 0 333.432 1.962 20 5 EDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602595331 449694157 /nfs/dbraw/zinc/69/41/57/449694157.db2.gz HRLAYHADKBEETF-ONGXEEELSA-N 1 0 327.768 1.965 20 5 EDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)cc1 ZINC000599007582 449694390 /nfs/dbraw/zinc/69/43/90/449694390.db2.gz QOSVBAXKVRJHDQ-GOSISDBHSA-N 1 0 342.399 1.980 20 5 EDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)cc1 ZINC000599007583 449695000 /nfs/dbraw/zinc/69/50/00/449695000.db2.gz QOSVBAXKVRJHDQ-SFHVURJKSA-N 1 0 342.399 1.980 20 5 EDBDRO Cc1cc(N2CCN(CCc3cnccn3)CC2)ncc1[N+](=O)[O-] ZINC000601253470 449777239 /nfs/dbraw/zinc/77/72/39/449777239.db2.gz PMDUKZUKUPOFJB-UHFFFAOYSA-N 1 0 328.376 1.453 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000597049539 449784371 /nfs/dbraw/zinc/78/43/71/449784371.db2.gz VCPGLAYRBKZCSD-BYCMXARLSA-N 1 0 339.417 1.651 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](n3cnc4c3CCCC4)C2)c1 ZINC000614740801 449784689 /nfs/dbraw/zinc/78/46/89/449784689.db2.gz KSIXDNLZMRIKOX-ZDUSSCGKSA-N 1 0 330.392 1.814 20 5 EDBDRO COc1ccc([C@H](CO)[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000602788876 449809018 /nfs/dbraw/zinc/80/90/18/449809018.db2.gz XACGUHPEXZPDCP-HNNXBMFYSA-N 1 0 334.376 1.774 20 5 EDBDRO CC(C)(C)CNC(=O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000599265432 449843126 /nfs/dbraw/zinc/84/31/26/449843126.db2.gz USOYKJPIVPFQTA-UHFFFAOYSA-N 1 0 334.420 1.879 20 5 EDBDRO C[C@@H]1OCC[C@H]1C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000602832561 449843465 /nfs/dbraw/zinc/84/34/65/449843465.db2.gz PZAGANAPQALYCW-KBPBESRZSA-N 1 0 333.388 1.778 20 5 EDBDRO CCN(C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000595104774 449871443 /nfs/dbraw/zinc/87/14/43/449871443.db2.gz UQBJVOJTEJLNEG-ZDUSSCGKSA-N 1 0 334.376 1.394 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000601419192 449935746 /nfs/dbraw/zinc/93/57/46/449935746.db2.gz FPAOZSVFCSJGIE-ZWNOBZJWSA-N 1 0 343.380 1.367 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000609257768 449984194 /nfs/dbraw/zinc/98/41/94/449984194.db2.gz DQTRZZDRZJWLCE-HOTGVXAUSA-N 1 0 346.387 1.868 20 5 EDBDRO CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC1(C)COC1 ZINC000599571531 450075135 /nfs/dbraw/zinc/07/51/35/450075135.db2.gz KHMDDXAKXDCPLO-UHFFFAOYSA-N 1 0 337.332 1.230 20 5 EDBDRO C[NH+]1CCC(N(C(=O)Cn2ccc([N+](=O)[O-])n2)c2ccccc2)CC1 ZINC000609566224 450052533 /nfs/dbraw/zinc/05/25/33/450052533.db2.gz DYTQSPWYCCNZIW-UHFFFAOYSA-N 1 0 343.387 1.919 20 5 EDBDRO NC(=O)c1cn(C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000599575247 450077658 /nfs/dbraw/zinc/07/76/58/450077658.db2.gz RDBITHSQWMURCM-UHFFFAOYSA-N 1 0 344.375 1.165 20 5 EDBDRO CN(CC[NH+](C)C)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599621961 450110574 /nfs/dbraw/zinc/11/05/74/450110574.db2.gz OKZZPKNEMPHUAN-UHFFFAOYSA-N 1 0 330.182 1.991 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)C1 ZINC000597574597 450117927 /nfs/dbraw/zinc/11/79/27/450117927.db2.gz QRXQQUSJZZIXJN-KRWDZBQOSA-N 1 0 346.387 1.605 20 5 EDBDRO Cc1sc(S(=O)(=O)N2CC[NH2+][C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000595413982 450126830 /nfs/dbraw/zinc/12/68/30/450126830.db2.gz YSTGILIVIGRAFD-JTQLQIEISA-N 1 0 333.435 1.583 20 5 EDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])n1cc(CCN2CC[NH2+]CC2)nn1 ZINC000603219568 450152136 /nfs/dbraw/zinc/15/21/36/450152136.db2.gz QEQXWTVEPSWWIX-ZDUSSCGKSA-N 1 0 330.392 1.243 20 5 EDBDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000599695408 450159117 /nfs/dbraw/zinc/15/91/17/450159117.db2.gz YDEKGVCEQJFGBS-OLZOCXBDSA-N 1 0 341.433 1.917 20 5 EDBDRO COC[C@]1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000599698342 450161945 /nfs/dbraw/zinc/16/19/45/450161945.db2.gz QYAZKYDVBVXDAU-INIZCTEOSA-N 1 0 337.376 1.661 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000597667115 450180503 /nfs/dbraw/zinc/18/05/03/450180503.db2.gz MARSBEIDFNSBJM-ZDUSSCGKSA-N 1 0 348.403 1.560 20 5 EDBDRO COC1CC[NH+](CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000610573044 450264811 /nfs/dbraw/zinc/26/48/11/450264811.db2.gz OKLSMVCADUBTLS-UHFFFAOYSA-N 1 0 346.387 1.917 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000610667926 450291354 /nfs/dbraw/zinc/29/13/54/450291354.db2.gz DMEJTVYMNWEKJJ-OAHLLOKOSA-N 1 0 335.404 1.754 20 5 EDBDRO Cc1ccnc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000603422848 450295103 /nfs/dbraw/zinc/29/51/03/450295103.db2.gz JRJPHOARRNGEHE-OAHLLOKOSA-N 1 0 349.435 1.507 20 5 EDBDRO Cc1c(C(=O)N2CCC[C@H]([NH3+])C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000158308820 533748752 /nfs/dbraw/zinc/74/87/52/533748752.db2.gz COOWGBRXXMJVNA-NSHDSACASA-N 1 0 330.348 1.047 20 5 EDBDRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000184323283 533913862 /nfs/dbraw/zinc/91/38/62/533913862.db2.gz DCKRXSRFUWNDKD-LLVKDONJSA-N 1 0 326.422 1.412 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000154342718 534345396 /nfs/dbraw/zinc/34/53/96/534345396.db2.gz XWAWOQCFFBJQTM-CQSZACIVSA-N 1 0 325.390 1.277 20 5 EDBDRO CC(C)(C)[C@@H](CCO)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000183696122 526616239 /nfs/dbraw/zinc/61/62/39/526616239.db2.gz YBOAFLLFSJYTPY-IUODEOHRSA-N 1 0 326.393 1.721 20 5 EDBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000264301179 535855498 /nfs/dbraw/zinc/85/54/98/535855498.db2.gz YXECAWJHSBUYMM-UHFFFAOYSA-N 1 0 337.424 1.762 20 5 EDBDRO C[NH2+][C@H]1CCCN([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000261735517 536414974 /nfs/dbraw/zinc/41/49/74/536414974.db2.gz JYZNLVAWONPHNG-NEPJUHHUSA-N 1 0 336.392 1.614 20 5 EDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC1(O)CCCCCC1 ZINC000187315944 536442722 /nfs/dbraw/zinc/44/27/22/536442722.db2.gz TXZJOIKJEFCKIH-AWEZNQCLSA-N 1 0 326.397 1.169 20 5 EDBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000353387291 536449891 /nfs/dbraw/zinc/44/98/91/536449891.db2.gz OCPXSIBSVOLCJG-CQSZACIVSA-N 1 0 343.387 1.912 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000345556729 536468762 /nfs/dbraw/zinc/46/87/62/536468762.db2.gz GGDYCNSORNQRBB-CABCVRRESA-N 1 0 337.351 1.208 20 5 EDBDRO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CN1CC[C@H]([NH+]2CC=CC2)C1 ZINC000742164299 579437370 /nfs/dbraw/zinc/43/73/70/579437370.db2.gz YWPMDFNXXZUWAQ-ZDUSSCGKSA-N 1 0 342.355 1.094 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000742912123 579465398 /nfs/dbraw/zinc/46/53/98/579465398.db2.gz YOKOUVLYBLXOSE-ZDUSSCGKSA-N 1 0 345.403 1.745 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](CCc2ccccc2)C2CC2)c1 ZINC000743842842 579491981 /nfs/dbraw/zinc/49/19/81/579491981.db2.gz MSSQXEKGFPLSFH-KRWDZBQOSA-N 1 0 330.388 1.859 20 5 EDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000725899027 578302947 /nfs/dbraw/zinc/30/29/47/578302947.db2.gz ZJEHXBCGVJXYIT-CHWSQXEVSA-N 1 0 344.371 1.669 20 5 EDBDRO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000731981754 578686136 /nfs/dbraw/zinc/68/61/36/578686136.db2.gz PIIPOAZTIYWJKY-IUCAKERBSA-N 1 0 347.343 1.247 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000733980446 578793917 /nfs/dbraw/zinc/79/39/17/578793917.db2.gz LEZGNKDWVGOSRV-LBPRGKRZSA-N 1 0 331.376 1.355 20 5 EDBDRO C[NH+]1CCC2(CCN2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000748320730 579679194 /nfs/dbraw/zinc/67/91/94/579679194.db2.gz DCIBEIXLTOHRRN-UHFFFAOYSA-N 1 0 334.332 1.813 20 5 EDBDRO COC(=O)CC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])cnc21)C(C)C ZINC000749953548 579744981 /nfs/dbraw/zinc/74/49/81/579744981.db2.gz OAXWGUNWDNRDIE-UHFFFAOYSA-N 1 0 335.364 1.879 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000750094800 579751774 /nfs/dbraw/zinc/75/17/74/579751774.db2.gz RECMGYCLQWBJHK-RHSMWYFYSA-N 1 0 335.404 1.282 20 5 EDBDRO COC(=O)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000754535524 579905732 /nfs/dbraw/zinc/90/57/32/579905732.db2.gz HJUDGSXHZZVVSH-IINYFYTJSA-N 1 0 335.360 1.853 20 5 EDBDRO COC(=O)/C=C\c1ccc(NC[C@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000762816260 580084409 /nfs/dbraw/zinc/08/44/09/580084409.db2.gz OBHPAEYJYUTEPU-DQOPKJQZSA-N 1 0 335.360 1.260 20 5 EDBDRO COCCN1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000765858273 580152687 /nfs/dbraw/zinc/15/26/87/580152687.db2.gz GSQHGLSNQJBPPV-INIZCTEOSA-N 1 0 348.447 1.874 20 5 EDBDRO C[N@H+](CCOC(=O)Cn1cnc([N+](=O)[O-])n1)Cc1ccc(F)cc1 ZINC000769087496 580227930 /nfs/dbraw/zinc/22/79/30/580227930.db2.gz NDEJYQJKZQOAHR-UHFFFAOYSA-N 1 0 337.311 1.001 20 5 EDBDRO CS[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000772848649 580321818 /nfs/dbraw/zinc/32/18/18/580321818.db2.gz XBQBWTZIZJJATB-QWHCGFSZSA-N 1 0 327.381 1.852 20 5 EDBDRO CCCNC(=O)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776575575 580421649 /nfs/dbraw/zinc/42/16/49/580421649.db2.gz SSDMMTCPZPXIPI-MRXNPFEDSA-N 1 0 335.404 1.866 20 5 EDBDRO CC1(C)CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000781675971 580554352 /nfs/dbraw/zinc/55/43/52/580554352.db2.gz CCZWODLKLUMKHD-VMPITWQZSA-N 1 0 333.388 1.523 20 5 EDBDRO C[NH+](C)CCCOC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000792181748 580812608 /nfs/dbraw/zinc/81/26/08/580812608.db2.gz ACVIYFZRKOQMHD-UHFFFAOYSA-N 1 0 349.343 1.357 20 5 EDBDRO C[N@@H+]1CC[C@]2(CCN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000793742460 580854279 /nfs/dbraw/zinc/85/42/79/580854279.db2.gz GCFJZXAEMYGGGF-KRWDZBQOSA-N 1 0 342.403 1.838 20 5 EDBDRO Cc1nn(CN2C[C@@H](C)O[C@]3(CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000794701292 580903375 /nfs/dbraw/zinc/90/33/75/580903375.db2.gz IMBFILNFTSSLGA-BDJLRTHQSA-N 1 0 347.375 1.485 20 5 EDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000801601913 581081261 /nfs/dbraw/zinc/08/12/61/581081261.db2.gz RDSVKXFFFHFFHC-OAHLLOKOSA-N 1 0 349.347 1.235 20 5 EDBDRO C[C@@H]1C[C@H](N2CCOCC2)CN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000804809350 590776772 /nfs/dbraw/zinc/77/67/72/590776772.db2.gz YPTLUTKGIHLIQW-OLZOCXBDSA-N 1 0 331.376 1.542 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC000892401178 591012218 /nfs/dbraw/zinc/01/22/18/591012218.db2.gz ATBPYWOSYMQVGH-GFCCVEGCSA-N 1 0 347.394 1.752 20 5 EDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000891612062 591150116 /nfs/dbraw/zinc/15/01/16/591150116.db2.gz JMDSCNYLXABINQ-ZDUSSCGKSA-N 1 0 335.408 1.790 20 5 EDBDRO C[NH+]1CCN(CCNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])CC1 ZINC000891620191 591152538 /nfs/dbraw/zinc/15/25/38/591152538.db2.gz RAGVFCPJLFRMOP-UHFFFAOYSA-N 1 0 349.822 1.878 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000892928926 591228337 /nfs/dbraw/zinc/22/83/37/591228337.db2.gz BVVMSMMILKLFBW-DOMZBBRYSA-N 1 0 334.376 1.319 20 5 EDBDRO Cc1c(CNC(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000894396200 591301157 /nfs/dbraw/zinc/30/11/57/591301157.db2.gz FQNXVYLTCQENEL-PBHICJAKSA-N 1 0 332.404 1.996 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCOC3CCSCC3)C2)c1 ZINC000898435192 591351247 /nfs/dbraw/zinc/35/12/47/591351247.db2.gz UKUVYWSEYUINAS-UHFFFAOYSA-N 1 0 326.422 1.997 20 5 EDBDRO COC(=O)[C@H]1[C@@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1(F)F ZINC000894580826 591352226 /nfs/dbraw/zinc/35/22/26/591352226.db2.gz WAPSGKLIRLAVOI-ZYHUDNBSSA-N 1 0 344.318 1.483 20 5 EDBDRO O=[N+]([O-])c1c(NCC23COCCN2CCOC3)ccc2cnccc21 ZINC000894799656 591420525 /nfs/dbraw/zinc/42/05/25/591420525.db2.gz FKBQXIZMTKGTGU-UHFFFAOYSA-N 1 0 344.371 1.656 20 5 EDBDRO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H]1C[N@H+](C)CCN1C ZINC000896568871 591530574 /nfs/dbraw/zinc/53/05/74/591530574.db2.gz BNADNJOXYYFSLQ-SMDDNHRTSA-N 1 0 346.387 1.705 20 5 EDBDRO C[C@@H](Nc1c2cc(F)ccc2ncc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895249988 591678635 /nfs/dbraw/zinc/67/86/35/591678635.db2.gz YYQWGFFEAAKFMF-BZNIZROVSA-N 1 0 347.394 1.750 20 5 EDBDRO C[C@@H](CCNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)[NH+](C)C ZINC000899264324 591750924 /nfs/dbraw/zinc/75/09/24/591750924.db2.gz BMWVQKFMGQCCET-ZDUSSCGKSA-N 1 0 345.403 1.910 20 5 EDBDRO C[NH+](C)CCn1nccc1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000900771045 592119421 /nfs/dbraw/zinc/11/94/21/592119421.db2.gz PGKXUSZWDVIDMX-UHFFFAOYSA-N 1 0 329.360 1.556 20 5 EDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CCCOCC1 ZINC000903225773 592137326 /nfs/dbraw/zinc/13/73/26/592137326.db2.gz AXZCPEOSEKVJDD-ZDUSSCGKSA-N 1 0 325.384 1.977 20 5 EDBDRO O=C1[C@@H](N[C@H]2CC[NH2+]C23CCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000903469721 592175142 /nfs/dbraw/zinc/17/51/42/592175142.db2.gz BAUZAHVDEXFOQD-GJZGRUSLSA-N 1 0 330.388 1.574 20 5 EDBDRO CC1(C)CC[N@H+](CCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000908086662 592294850 /nfs/dbraw/zinc/29/48/50/592294850.db2.gz WMIAXJRQRLMXTR-UHFFFAOYSA-N 1 0 341.433 1.746 20 5 EDBDRO CCN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000905346941 592501922 /nfs/dbraw/zinc/50/19/22/592501922.db2.gz GQXQWSNNGFHSAF-CQSZACIVSA-N 1 0 341.433 1.889 20 5 EDBDRO COc1ccc(NC(=O)C2C[NH+](C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000907300759 592591283 /nfs/dbraw/zinc/59/12/83/592591283.db2.gz RHEUNCDQAMWIGK-UHFFFAOYSA-N 1 0 335.360 1.653 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000907440331 592635196 /nfs/dbraw/zinc/63/51/96/592635196.db2.gz GZCAABYINWAEEZ-UHFFFAOYSA-N 1 0 333.747 1.431 20 5 EDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000907448438 592660991 /nfs/dbraw/zinc/66/09/91/592660991.db2.gz MPYUROIGUOEUGN-UHFFFAOYSA-N 1 0 349.387 1.922 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CCC1 ZINC000907608993 592718899 /nfs/dbraw/zinc/71/88/99/592718899.db2.gz PSCWDLVKRSJYCW-UHFFFAOYSA-N 1 0 349.387 1.970 20 5 EDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CC[NH2+]CC1 ZINC000911630431 592969812 /nfs/dbraw/zinc/96/98/12/592969812.db2.gz PUWWCKCTDQZHMT-UHFFFAOYSA-N 1 0 338.433 1.342 20 5 EDBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1 ZINC000912256474 593080048 /nfs/dbraw/zinc/08/00/48/593080048.db2.gz XDOMZOZOUZNXNN-INWMFGNUSA-N 1 0 333.388 1.758 20 5 EDBDRO C[NH+](C)CCCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000912591260 593106953 /nfs/dbraw/zinc/10/69/53/593106953.db2.gz BWOIRJHVNLZRQJ-UHFFFAOYSA-N 1 0 337.376 1.540 20 5 EDBDRO CCCNC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000838103634 593125098 /nfs/dbraw/zinc/12/50/98/593125098.db2.gz RMZUVFFISNMOQS-NSHDSACASA-N 1 0 346.343 1.852 20 5 EDBDRO O=[N+]([O-])c1cccc(CN2C[C@H](O)C[C@H](O)C2)c1Br ZINC000839503239 593311681 /nfs/dbraw/zinc/31/16/81/593311681.db2.gz HFGHNQQUVHSRHF-AOOOYVTPSA-N 1 0 331.166 1.285 20 5 EDBDRO Cc1nn(C[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000840178698 593341472 /nfs/dbraw/zinc/34/14/72/593341472.db2.gz UTJGNLABUDCGEG-QGZVFWFLSA-N 1 0 343.387 1.495 20 5 EDBDRO COC(=O)c1cc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n(C)c1C ZINC000812756924 593508781 /nfs/dbraw/zinc/50/87/81/593508781.db2.gz DRCVAURCZXXORJ-INIZCTEOSA-N 1 0 347.371 1.852 20 5 EDBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812850742 593510808 /nfs/dbraw/zinc/51/08/08/593510808.db2.gz OKCRIHKJDGAHFK-RRQGHBQHSA-N 1 0 348.403 1.596 20 5 EDBDRO CC1(C)[C@H](O)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000812866136 593511214 /nfs/dbraw/zinc/51/12/14/593511214.db2.gz XWSWCRDFGNZURT-CYBMUJFWSA-N 1 0 325.340 1.908 20 5 EDBDRO C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815557601 593642765 /nfs/dbraw/zinc/64/27/65/593642765.db2.gz YXSZMBRKZGHPQL-JTQLQIEISA-N 1 0 342.421 1.252 20 5 EDBDRO C[C@@H]1C[C@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C[NH3+] ZINC000818023594 593658688 /nfs/dbraw/zinc/65/86/88/593658688.db2.gz IYILNHSMJCXIOH-WOPDTQHZSA-N 1 0 339.367 1.945 20 5 EDBDRO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000840358400 593693790 /nfs/dbraw/zinc/69/37/90/593693790.db2.gz NLKVKEXHTUVTKC-SNVBAGLBSA-N 1 0 338.320 1.044 20 5 EDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000818582418 593705656 /nfs/dbraw/zinc/70/56/56/593705656.db2.gz OTPBKXAAKIYZKR-GFCCVEGCSA-N 1 0 336.392 1.159 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c1 ZINC000819196428 593743800 /nfs/dbraw/zinc/74/38/00/593743800.db2.gz CHLPTUNHDZWWDF-NDBYEHHHSA-N 1 0 344.462 1.121 20 5 EDBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819244274 593746317 /nfs/dbraw/zinc/74/63/17/593746317.db2.gz JPCXSXIMEFXVFD-HRCADAONSA-N 1 0 340.376 1.038 20 5 EDBDRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000819353076 593751643 /nfs/dbraw/zinc/75/16/43/593751643.db2.gz LZNNKNDBDXQRMO-XKQJLSEDSA-N 1 0 346.387 1.872 20 5 EDBDRO C[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000820711280 593868589 /nfs/dbraw/zinc/86/85/89/593868589.db2.gz VUIKBQUNPURDNU-MNOVXSKESA-N 1 0 346.395 1.702 20 5 EDBDRO CC(C)(CCC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)[N+](=O)[O-] ZINC000822877782 594115316 /nfs/dbraw/zinc/11/53/16/594115316.db2.gz BLXDLLDYTMXOIM-UHFFFAOYSA-N 1 0 341.452 1.783 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000822933535 594124626 /nfs/dbraw/zinc/12/46/26/594124626.db2.gz JTEKQTQIZYDVRH-UONOGXRCSA-N 1 0 333.388 1.493 20 5 EDBDRO O=[N+]([O-])c1cccc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000823648367 594224529 /nfs/dbraw/zinc/22/45/29/594224529.db2.gz VTZADQXBRXYTJC-UHFFFAOYSA-N 1 0 340.343 1.944 20 5 EDBDRO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000825760246 594240044 /nfs/dbraw/zinc/24/00/44/594240044.db2.gz FUOPRIWPDGUNRI-JKSUJKDBSA-N 1 0 333.388 1.715 20 5 EDBDRO CCN(CCC[NH+]1CCCC1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830838056 594492336 /nfs/dbraw/zinc/49/23/36/594492336.db2.gz ICMNUVVMHMWXRX-MRXNPFEDSA-N 1 0 335.404 1.963 20 5 EDBDRO C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@H](C)[N@H+]1CCO ZINC000829015205 594549240 /nfs/dbraw/zinc/54/92/40/594549240.db2.gz AGCIIMGNZXKASM-TXEJJXNPSA-N 1 0 348.403 1.371 20 5 EDBDRO CN1Cc2ccccc2[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000826724115 594564379 /nfs/dbraw/zinc/56/43/79/594564379.db2.gz FTGSFRDVWQLCHH-HNNXBMFYSA-N 1 0 343.387 1.829 20 5 EDBDRO C[C@@H]1C[NH+](CCCCNC(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H](C)O1 ZINC000826932610 594605035 /nfs/dbraw/zinc/60/50/35/594605035.db2.gz AWMODZCPCBDRHZ-ZIAGYGMSSA-N 1 0 329.441 1.828 20 5 EDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000827332793 594661971 /nfs/dbraw/zinc/66/19/71/594661971.db2.gz SBUWWTBXOJNVHG-BMFZPTHFSA-N 1 0 333.388 1.571 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000827346328 594663259 /nfs/dbraw/zinc/66/32/59/594663259.db2.gz OFTLCVYTWQYHTF-QMTHXVAHSA-N 1 0 329.360 1.637 20 5 EDBDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841161757 594861009 /nfs/dbraw/zinc/86/10/09/594861009.db2.gz SNDVNYNNHMICET-MRVPVSSYSA-N 1 0 326.740 1.007 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841216499 594870107 /nfs/dbraw/zinc/87/01/07/594870107.db2.gz HJXLBGRTMWOVFA-PELKAZGASA-N 1 0 340.767 1.301 20 5 EDBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000841457923 594903784 /nfs/dbraw/zinc/90/37/84/594903784.db2.gz XCFLSQXUTGMQPR-GTISMEIMSA-N 1 0 347.415 1.912 20 5 EDBDRO Cc1nc([N+](=O)[O-])c(-c2noc(C[C@H](C)C3CC[NH2+]CC3)n2)n1C ZINC000843223154 595042741 /nfs/dbraw/zinc/04/27/41/595042741.db2.gz YXIVZNUHFAKAHF-VIFPVBQESA-N 1 0 334.380 1.865 20 5 EDBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H](C[NH3+])C1 ZINC000843346710 595081906 /nfs/dbraw/zinc/08/19/06/595081906.db2.gz PXPYUQBVGTZSMY-VHSXEESVSA-N 1 0 326.784 1.856 20 5 EDBDRO C[NH2+]C1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000843351375 595083545 /nfs/dbraw/zinc/08/35/45/595083545.db2.gz LUDYCQATMDJOMG-UHFFFAOYSA-N 1 0 326.784 1.871 20 5 EDBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000834296289 595084077 /nfs/dbraw/zinc/08/40/77/595084077.db2.gz VFJXDOXHUXCGQE-CQSZACIVSA-N 1 0 333.392 1.776 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843364617 595088610 /nfs/dbraw/zinc/08/86/10/595088610.db2.gz MPRJCUPWJQIEFC-VHSXEESVSA-N 1 0 326.784 1.856 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843370993 595091224 /nfs/dbraw/zinc/09/12/24/595091224.db2.gz ADMBBMNZXGOKJM-ZDUSSCGKSA-N 1 0 341.795 1.975 20 5 EDBDRO Cc1cc(F)cc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000843478381 595123549 /nfs/dbraw/zinc/12/35/49/595123549.db2.gz ULRGBXWDJSANTH-CYBMUJFWSA-N 1 0 336.367 1.162 20 5 EDBDRO CC[NH2+]CCCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000842690787 595171413 /nfs/dbraw/zinc/17/14/13/595171413.db2.gz AXBDRGCQNSBLGY-UHFFFAOYSA-N 1 0 335.813 1.835 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1F ZINC000842696402 595172822 /nfs/dbraw/zinc/17/28/22/595172822.db2.gz YNUFQDLBRZFRCF-SNVBAGLBSA-N 1 0 331.369 1.402 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc([N+](=O)[O-])c1F ZINC000842720240 595179985 /nfs/dbraw/zinc/17/99/85/595179985.db2.gz TZQKSMDHUNDQRC-GXSJLCMTSA-N 1 0 331.369 1.400 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCCCC[NH3+] ZINC000842921677 595235548 /nfs/dbraw/zinc/23/55/48/595235548.db2.gz JJHHYQAMTFMOLX-UHFFFAOYSA-N 1 0 331.394 1.401 20 5 EDBDRO C[C@H](C[C@H](O)c1cccs1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000843103408 595287765 /nfs/dbraw/zinc/28/77/65/595287765.db2.gz ARYZQZRIUKLARB-RTXFEEFZSA-N 1 0 340.405 1.316 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](CO)Cc2cccnc2)cc1 ZINC000843110497 595288771 /nfs/dbraw/zinc/28/87/71/595288771.db2.gz MXXKKHNZIXTSTH-YOEHRIQHSA-N 1 0 331.372 1.464 20 5 EDBDRO O=[N+]([O-])c1ccccc1NCCc1noc(C[C@@H]2CSCC[NH2+]2)n1 ZINC000843185474 595300961 /nfs/dbraw/zinc/30/09/61/595300961.db2.gz VWIXBUHAMFUOJL-LLVKDONJSA-N 1 0 349.416 1.880 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC2([NH+](C)C)CC2)cc1F ZINC000867439451 595321513 /nfs/dbraw/zinc/32/15/13/595321513.db2.gz SVQPSTBBQSOFAF-UHFFFAOYSA-N 1 0 331.369 1.415 20 5 EDBDRO C[NH+](C)CCN1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1=O ZINC000844375639 595333421 /nfs/dbraw/zinc/33/34/21/595333421.db2.gz KPBGETLNONCNMN-UHFFFAOYSA-N 1 0 340.811 1.454 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)c1 ZINC000846936845 595339984 /nfs/dbraw/zinc/33/99/84/595339984.db2.gz OXDDDMHRTWRLAX-SJORKVTESA-N 1 0 335.404 1.425 20 5 EDBDRO COCC[N@@H+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000844431749 595342646 /nfs/dbraw/zinc/34/26/46/595342646.db2.gz NKKKQZQVEJBGPN-MRXNPFEDSA-N 1 0 337.420 1.671 20 5 EDBDRO O=[N+]([O-])c1ccc2c(cnn2C[NH+]2CCC(Cn3cnnc3)CC2)c1 ZINC000844731115 595385250 /nfs/dbraw/zinc/38/52/50/595385250.db2.gz FJNNLRMDTIJCRP-UHFFFAOYSA-N 1 0 341.375 1.906 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848582497 595408972 /nfs/dbraw/zinc/40/89/72/595408972.db2.gz MTPDQSOFDBMZSY-LLVKDONJSA-N 1 0 329.303 1.777 20 5 EDBDRO O=C([C@@H]1[NH2+]CC12CCCC2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000852774254 595537484 /nfs/dbraw/zinc/53/74/84/595537484.db2.gz RIRLTZALGSZVQG-INIZCTEOSA-N 1 0 344.415 1.776 20 5 EDBDRO [NH3+]C[C@@H]1CCCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000857764033 595600138 /nfs/dbraw/zinc/60/01/38/595600138.db2.gz FIJXHHZOYUAPNV-JTQLQIEISA-N 1 0 329.303 1.764 20 5 EDBDRO [NH3+]CC12CC(C1)CN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000852909549 595611029 /nfs/dbraw/zinc/61/10/29/595611029.db2.gz VFCPCVGEZQSDCG-UHFFFAOYSA-N 1 0 330.388 1.758 20 5 EDBDRO C[C@]1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[NH2+]C1 ZINC000852928614 595618825 /nfs/dbraw/zinc/61/88/25/595618825.db2.gz QMVVRSMCEOMLRH-LBPRGKRZSA-N 1 0 346.156 1.978 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)OC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000851465411 595816730 /nfs/dbraw/zinc/81/67/30/595816730.db2.gz GKEJXYZYIZIMHR-CQSZACIVSA-N 1 0 330.344 1.609 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000861033393 595870771 /nfs/dbraw/zinc/87/07/71/595870771.db2.gz LDTJVGBAYFOQIN-ZDUSSCGKSA-N 1 0 338.360 1.871 20 5 EDBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000856414975 595983213 /nfs/dbraw/zinc/98/32/13/595983213.db2.gz VCVVBQDVMWYJTC-QGZVFWFLSA-N 1 0 347.415 1.866 20 5 EDBDRO Cc1c(C(=O)N2CC(C[NH+](C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000854722589 596174835 /nfs/dbraw/zinc/17/48/35/596174835.db2.gz CNJCDAWNRDVFSD-UHFFFAOYSA-N 1 0 336.348 1.753 20 5 EDBDRO Cc1c(C(=O)NC2CC([NH+](C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000857229472 596192349 /nfs/dbraw/zinc/19/23/49/596192349.db2.gz UIHOWSYMZCFRCE-UHFFFAOYSA-N 1 0 336.348 1.942 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)c([N+](=O)[O-])s1 ZINC000866760531 596327070 /nfs/dbraw/zinc/32/70/70/596327070.db2.gz VTCFPEXWTVVQKK-UHFFFAOYSA-N 1 0 345.446 1.729 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@](C)(N)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000870907051 596398427 /nfs/dbraw/zinc/39/84/27/596398427.db2.gz PTENXPVMBNDJIQ-SKDZVZGDSA-N 1 0 346.431 1.711 20 5 EDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000862791836 596413514 /nfs/dbraw/zinc/41/35/14/596413514.db2.gz INFNAHVLKYUCMC-LLVKDONJSA-N 1 0 336.348 1.965 20 5 EDBDRO Cc1ccc(CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000867606877 596456134 /nfs/dbraw/zinc/45/61/34/596456134.db2.gz GRYOYFUGJHBSDD-AWEZNQCLSA-N 1 0 348.403 1.072 20 5 EDBDRO CS[C@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)C[C@@H]1[NH+](C)C ZINC000865645295 596637909 /nfs/dbraw/zinc/63/79/09/596637909.db2.gz WZBZFPZLJIHUQU-KBPBESRZSA-N 1 0 329.397 1.708 20 5 EDBDRO C[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872084346 596802452 /nfs/dbraw/zinc/80/24/52/596802452.db2.gz IARKHKPPPWBWNU-IAQYHMDHSA-N 1 0 328.340 1.553 20 5 EDBDRO Cc1ccc(CNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000868372392 596809322 /nfs/dbraw/zinc/80/93/22/596809322.db2.gz UDIADZWUALYHIX-CQSZACIVSA-N 1 0 349.435 1.338 20 5 EDBDRO COCCN1CC[C@H]([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866262456 596841138 /nfs/dbraw/zinc/84/11/38/596841138.db2.gz ABAAWVNRQOBUOR-DOMZBBRYSA-N 1 0 325.384 1.975 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@]3(CCO)CCOC3)CC2)cc1 ZINC000125826385 597144951 /nfs/dbraw/zinc/14/49/51/597144951.db2.gz ZCTXDBXHGTVFNC-SFHVURJKSA-N 1 0 349.431 1.942 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c([N+](=O)[O-])cc1OC ZINC000874847262 597198481 /nfs/dbraw/zinc/19/84/81/597198481.db2.gz NOMNBRGBQAKTMU-CHWSQXEVSA-N 1 0 349.387 1.921 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCCC[C@H]3N3CCOCC3)C2)c1 ZINC000877111288 597435331 /nfs/dbraw/zinc/43/53/31/597435331.db2.gz IHFMZWNGQXVUHG-YQEWQEHLSA-N 1 0 349.435 1.728 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C(F)(F)F ZINC000877369528 597503180 /nfs/dbraw/zinc/50/31/80/597503180.db2.gz VVZSLEMXMKNHNM-OIBJUYFYSA-N 1 0 335.257 1.943 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCn3ccc(C(F)(F)F)n3)C2)c1 ZINC000877804559 597559545 /nfs/dbraw/zinc/55/95/45/597559545.db2.gz ACANCLBDQOEUDI-UHFFFAOYSA-N 1 0 344.297 2.000 20 5 EDBDRO COc1ccc([C@H]2C[NH2+]CCN2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000883451032 597752092 /nfs/dbraw/zinc/75/20/92/597752092.db2.gz DXMKCJILBWUTPK-MRXNPFEDSA-N 1 0 331.376 1.446 20 5 EDBDRO CC(=O)N1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000880311003 597898773 /nfs/dbraw/zinc/89/87/73/597898773.db2.gz RFRUSQQWZLAUJV-OKILXGFUSA-N 1 0 346.387 1.334 20 5 EDBDRO CO[C@@H]1COCC[C@H]1[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000880430974 597931982 /nfs/dbraw/zinc/93/19/82/597931982.db2.gz RMSWESURCFWQQC-HUUCEWRRSA-N 1 0 337.376 1.659 20 5 EDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000884027482 597972184 /nfs/dbraw/zinc/97/21/84/597972184.db2.gz DKCIXQIBJGDXMC-LLVKDONJSA-N 1 0 335.360 1.438 20 5 EDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000882490695 597975504 /nfs/dbraw/zinc/97/55/04/597975504.db2.gz UKKAOMXBYAONGC-LBPRGKRZSA-N 1 0 329.360 1.605 20 5 EDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000882498341 597978379 /nfs/dbraw/zinc/97/83/79/597978379.db2.gz UOVIMLXMTPUZTA-NSHDSACASA-N 1 0 335.360 1.580 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCCO2)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000884250484 598043452 /nfs/dbraw/zinc/04/34/52/598043452.db2.gz GALRNYOREKNEIA-KRWDZBQOSA-N 1 0 347.371 1.582 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000917654459 697059287 /nfs/dbraw/zinc/05/92/87/697059287.db2.gz HCRQPWHWLKUUAE-QWHCGFSZSA-N 1 0 339.417 1.808 20 5 EDBDRO Cc1c(C(=O)NCCNc2cc[nH+]cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000918355310 697157138 /nfs/dbraw/zinc/15/71/38/697157138.db2.gz MOXDDADACRWAKE-UHFFFAOYSA-N 1 0 345.315 1.470 20 5 EDBDRO O=C(NCC1C[NH+](Cc2ccc3ncccc3c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031661870 697436361 /nfs/dbraw/zinc/43/63/61/697436361.db2.gz LCBYAVCCKGESPV-NVXWUHKLSA-N 1 0 340.383 1.448 20 5 EDBDRO O=C(c1ncccn1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997107286 703352986 /nfs/dbraw/zinc/35/29/86/703352986.db2.gz MKPCBNURDIHKBQ-UHFFFAOYSA-N 1 0 341.371 1.779 20 5 EDBDRO COc1cc(C[NH2+][C@@H](C)CN2CCOCC2)c([N+](=O)[O-])cc1O ZINC000921535214 703398997 /nfs/dbraw/zinc/39/89/97/703398997.db2.gz XIAXWCYSJMQFQV-NSHDSACASA-N 1 0 325.365 1.119 20 5 EDBDRO CCn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001034645016 710321321 /nfs/dbraw/zinc/32/13/21/710321321.db2.gz PNSPJYYXVBTBLI-QHSBEEBCSA-N 1 0 335.408 1.085 20 5 EDBDRO Cc1coc(C(=O)NC2CCN(Cc3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC001003467923 710364662 /nfs/dbraw/zinc/36/46/62/710364662.db2.gz GPJDPCVLHLKTBO-UHFFFAOYSA-N 1 0 347.375 1.624 20 5 EDBDRO CCc1n[nH]c(C(=O)N[C@@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000171804319 529468297 /nfs/dbraw/zinc/46/82/97/529468297.db2.gz MDCNOGQQMWETDP-SRVKXCTJSA-N 1 0 337.424 1.977 20 5 EDBDRO CC[N@H+](CCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000101957298 219175791 /nfs/dbraw/zinc/17/57/91/219175791.db2.gz PNXJXYJFWWEBIP-UHFFFAOYSA-N 1 0 337.376 1.583 20 5 EDBDRO CC(C)[C@H]([NH3+])CCN(C)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000316642374 535065056 /nfs/dbraw/zinc/06/50/56/535065056.db2.gz OWQOEZDQZGPAHQ-LLVKDONJSA-N 1 0 330.410 1.052 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC[NH+]1CCCC1 ZINC000103162288 219263740 /nfs/dbraw/zinc/26/37/40/219263740.db2.gz CIAUPKQQLYIDAE-UHFFFAOYSA-N 1 0 343.405 1.320 20 5 EDBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000412427614 304007167 /nfs/dbraw/zinc/00/71/67/304007167.db2.gz PTDZMKCNBYZKIB-UAGQMJEPSA-N 1 0 347.415 1.705 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCCC[NH+]1CCCC1 ZINC000179496310 233097463 /nfs/dbraw/zinc/09/74/63/233097463.db2.gz CHFVSXWQVBHITO-UHFFFAOYSA-N 1 0 341.433 1.543 20 5 EDBDRO Cn1cc(C[NH2+]CC2(C)OCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179554857 233160043 /nfs/dbraw/zinc/16/00/43/233160043.db2.gz OFRISFUZSQDLIN-UHFFFAOYSA-N 1 0 332.360 1.848 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000067961023 215260897 /nfs/dbraw/zinc/26/08/97/215260897.db2.gz QUAOTGWRNOYMLR-AWEZNQCLSA-N 1 0 334.376 1.572 20 5 EDBDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000104076228 219345999 /nfs/dbraw/zinc/34/59/99/219345999.db2.gz LDHDSMAXWRCJPD-JQWIXIFHSA-N 1 0 345.359 1.731 20 5 EDBDRO CC[NH+](CC)CCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000069139567 215363592 /nfs/dbraw/zinc/36/35/92/215363592.db2.gz FOZWHFDGORJLPW-UHFFFAOYSA-N 1 0 325.365 1.684 20 5 EDBDRO Cc1csc([C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)n1 ZINC000181619406 234254818 /nfs/dbraw/zinc/25/48/18/234254818.db2.gz LTILYORHLHCDMC-CHWSQXEVSA-N 1 0 337.405 1.658 20 5 EDBDRO [NH3+]CCCN(CC1CCCC1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000563161577 306321183 /nfs/dbraw/zinc/32/11/83/306321183.db2.gz YSJROOUIKWUVPA-UHFFFAOYSA-N 1 0 336.392 1.124 20 5 EDBDRO C[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)[C@@H]1c1ccccc1 ZINC000179222218 283055203 /nfs/dbraw/zinc/05/52/03/283055203.db2.gz YCQKUUWEULTMGZ-CABCVRRESA-N 1 0 342.355 1.871 20 5 EDBDRO C[NH+](C)C1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000184194928 235329164 /nfs/dbraw/zinc/32/91/64/235329164.db2.gz WBFCXUUAYCWWOV-UHFFFAOYSA-N 1 0 327.406 1.451 20 5 EDBDRO O=C(NC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000051877832 138136128 /nfs/dbraw/zinc/13/61/28/138136128.db2.gz AEENUSYYZAQBHT-UHFFFAOYSA-N 1 0 333.388 1.964 20 5 EDBDRO Cc1ccc([C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)[NH+](C)C)cc1 ZINC000067267407 138184627 /nfs/dbraw/zinc/18/46/27/138184627.db2.gz KMVVCAPJBHABKE-CQSZACIVSA-N 1 0 331.376 1.519 20 5 EDBDRO COc1cc(OCC(=O)N2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000069128551 138198482 /nfs/dbraw/zinc/19/84/82/138198482.db2.gz AXQSVOGDHKPDRE-UHFFFAOYSA-N 1 0 337.376 1.535 20 5 EDBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000104070272 138299509 /nfs/dbraw/zinc/29/95/09/138299509.db2.gz PKJDDALUMFITMW-QGZVFWFLSA-N 1 0 346.431 1.551 20 5 EDBDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000125445217 138333928 /nfs/dbraw/zinc/33/39/28/138333928.db2.gz KNGDPYJMJYCVNJ-LLVKDONJSA-N 1 0 334.376 1.784 20 5 EDBDRO C[C@H](CCNC(=O)c1c([N+](=O)[O-])cnn1C)[N@H+](C)Cc1ccccc1 ZINC000125523508 138334891 /nfs/dbraw/zinc/33/48/91/138334891.db2.gz DQBYNJPCIKMTPM-CYBMUJFWSA-N 1 0 345.403 1.969 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000129659775 223078548 /nfs/dbraw/zinc/07/85/48/223078548.db2.gz PDVJWXGVPBZSDE-GFCCVEGCSA-N 1 0 336.392 1.697 20 5 EDBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000072639804 216286653 /nfs/dbraw/zinc/28/66/53/216286653.db2.gz SAVOKAOZTUJRRM-GXTWGEPZSA-N 1 0 332.360 1.228 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(=O)n1C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000414153159 304103088 /nfs/dbraw/zinc/10/30/88/304103088.db2.gz YQDVQKUWTWIHSZ-INIZCTEOSA-N 1 0 343.383 1.484 20 5 EDBDRO COC(=O)c1cc(NC(=O)N[C@H](C)C[C@H](C)[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000566228310 306404543 /nfs/dbraw/zinc/40/45/43/306404543.db2.gz ZJAUAEIQSJPTAW-DTWKUNHWSA-N 1 0 338.364 1.937 20 5 EDBDRO Cc1c(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000414710187 304131227 /nfs/dbraw/zinc/13/12/27/304131227.db2.gz RPFDCRQTRJEAJB-CYBMUJFWSA-N 1 0 333.392 1.415 20 5 EDBDRO O=[N+]([O-])c1cc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cs1 ZINC000414994613 304149238 /nfs/dbraw/zinc/14/92/38/304149238.db2.gz VQEPPYWGKGYKTR-SNVBAGLBSA-N 1 0 338.355 1.582 20 5 EDBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368723808 284173555 /nfs/dbraw/zinc/17/35/55/284173555.db2.gz XJSGFRMQHMSINX-LBPRGKRZSA-N 1 0 329.360 1.652 20 5 EDBDRO Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567105085 306437880 /nfs/dbraw/zinc/43/78/80/306437880.db2.gz PLXONTOLQZWBRF-XJKSGUPXSA-N 1 0 346.387 1.735 20 5 EDBDRO [NH3+]CC1(O)CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000415142226 304163977 /nfs/dbraw/zinc/16/39/77/304163977.db2.gz PMUVPEXKFHVXQR-UHFFFAOYSA-N 1 0 331.319 1.482 20 5 EDBDRO C[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[N@H+](C)Cc1ccccc1 ZINC000110355051 220032439 /nfs/dbraw/zinc/03/24/39/220032439.db2.gz PQBNZVUGXGFIJF-ZDUSSCGKSA-N 1 0 331.376 1.428 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000078651046 217095757 /nfs/dbraw/zinc/09/57/57/217095757.db2.gz KIUOZIUIUKABCG-LLVKDONJSA-N 1 0 340.811 1.614 20 5 EDBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000236682446 139028746 /nfs/dbraw/zinc/02/87/46/139028746.db2.gz OGAGKWRSQGPGQM-INIZCTEOSA-N 1 0 331.376 1.884 20 5 EDBDRO COc1ccc(CSCC(=O)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000237216087 139044562 /nfs/dbraw/zinc/04/45/62/139044562.db2.gz ICKWFOZEDPOMMR-GFCCVEGCSA-N 1 0 339.417 1.705 20 5 EDBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000110865666 220072413 /nfs/dbraw/zinc/07/24/13/220072413.db2.gz WIGRSDQWPVPDHT-RMKNXTFCSA-N 1 0 346.431 1.704 20 5 EDBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247474160 139149818 /nfs/dbraw/zinc/14/98/18/139149818.db2.gz RYYUQTPEMRGFQY-VNQPRFMTSA-N 1 0 335.404 1.503 20 5 EDBDRO CNC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000247727375 139154471 /nfs/dbraw/zinc/15/44/71/139154471.db2.gz SVTHCWATACOBJL-DOMZBBRYSA-N 1 0 346.387 1.158 20 5 EDBDRO COC(=O)[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000249072887 139184662 /nfs/dbraw/zinc/18/46/62/139184662.db2.gz LGJYJVJAMARZPY-JSGCOSHPSA-N 1 0 349.387 1.973 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1OC ZINC000261618728 139211648 /nfs/dbraw/zinc/21/16/48/139211648.db2.gz BSYZCJWTMUWYLK-MNOVXSKESA-N 1 0 337.376 1.811 20 5 EDBDRO C[NH2+][C@H](C)Cc1noc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000261712284 139219836 /nfs/dbraw/zinc/21/98/36/139219836.db2.gz IZBNHIJLKHAELW-SNVBAGLBSA-N 1 0 328.332 1.981 20 5 EDBDRO C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000569213868 306499785 /nfs/dbraw/zinc/49/97/85/306499785.db2.gz GQKYJNGVQPQICW-MLGOLLRUSA-N 1 0 334.376 1.469 20 5 EDBDRO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC1CC[NH2+]CC1 ZINC000262274401 139265792 /nfs/dbraw/zinc/26/57/92/139265792.db2.gz XEUUOGBDOYKZKC-UHFFFAOYSA-N 1 0 348.359 1.151 20 5 EDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262285093 139266501 /nfs/dbraw/zinc/26/65/01/139266501.db2.gz VHKTWDKRMXPNGQ-HIFRSBDPSA-N 1 0 347.419 1.383 20 5 EDBDRO Cc1cc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)ccc1[N+](=O)[O-] ZINC000262291209 139267139 /nfs/dbraw/zinc/26/71/39/139267139.db2.gz WDMQHJMACKTBFH-UHFFFAOYSA-N 1 0 341.371 1.960 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000415576076 304229765 /nfs/dbraw/zinc/22/97/65/304229765.db2.gz FTKPPMRTHJDPIG-ZLKJLUDKSA-N 1 0 332.360 1.119 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000262394796 139276012 /nfs/dbraw/zinc/27/60/12/139276012.db2.gz BTHGQRJAQTWKNY-VXGBXAGGSA-N 1 0 325.390 1.133 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262418813 139277785 /nfs/dbraw/zinc/27/77/85/139277785.db2.gz RNIORFDMCLTOEB-AWEZNQCLSA-N 1 0 329.360 1.103 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000262521816 139284016 /nfs/dbraw/zinc/28/40/16/139284016.db2.gz OFCHJLJUCJTCAY-CMPLNLGQSA-N 1 0 327.406 1.509 20 5 EDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000262536148 139284809 /nfs/dbraw/zinc/28/48/09/139284809.db2.gz OONXVFHNDRHCNX-ZJUUUORDSA-N 1 0 327.768 1.823 20 5 EDBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C ZINC000262701246 139297363 /nfs/dbraw/zinc/29/73/63/139297363.db2.gz ASYAUSHQJGPFCP-NEPJUHHUSA-N 1 0 329.360 1.603 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000262806041 139305119 /nfs/dbraw/zinc/30/51/19/139305119.db2.gz OKMZBIFYRCTKEB-FZMZJTMJSA-N 1 0 329.360 1.508 20 5 EDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000262832910 139306613 /nfs/dbraw/zinc/30/66/13/139306613.db2.gz VPILEKQTXPYBPF-NWDGAFQWSA-N 1 0 329.360 1.603 20 5 EDBDRO CCC([NH3+])(CC)CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000422878267 252008997 /nfs/dbraw/zinc/00/89/97/252008997.db2.gz JXJHGZSIMIMTSV-UHFFFAOYSA-N 1 0 336.392 1.267 20 5 EDBDRO CC(C)(C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)n1cc([N+](=O)[O-])cn1 ZINC000424024482 252117019 /nfs/dbraw/zinc/11/70/19/252117019.db2.gz AHTGETSLHYAKER-AWEZNQCLSA-N 1 0 349.435 1.763 20 5 EDBDRO 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EDBDRO NC(=O)C1([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCCCC1 ZINC000123236181 222240479 /nfs/dbraw/zinc/24/04/79/222240479.db2.gz OGQSQHBSXKJTGA-UHFFFAOYSA-N 1 0 346.387 1.262 20 5 EDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000237052277 273007216 /nfs/dbraw/zinc/00/72/16/273007216.db2.gz NCXCXUMNMCSZEP-SNVBAGLBSA-N 1 0 332.364 1.069 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000262592523 273017661 /nfs/dbraw/zinc/01/76/61/273017661.db2.gz SBCMVSSBMPMNJK-GXSJLCMTSA-N 1 0 327.768 1.884 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1C ZINC000262752879 273017832 /nfs/dbraw/zinc/01/78/32/273017832.db2.gz GXGPRVLZFVJLEP-NEPJUHHUSA-N 1 0 327.406 1.583 20 5 EDBDRO COCC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C)o1 ZINC000273327251 268025377 /nfs/dbraw/zinc/02/53/77/268025377.db2.gz TUVDUSVDLQAONZ-UONOGXRCSA-N 1 0 338.364 1.421 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000274803435 268209691 /nfs/dbraw/zinc/20/96/91/268209691.db2.gz PKMHNWNVYLOIIP-NSHDSACASA-N 1 0 343.767 1.203 20 5 EDBDRO CNC(=O)c1ccn([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000275353153 268328658 /nfs/dbraw/zinc/32/86/58/268328658.db2.gz AEEVOMPZZRBQNR-HNNXBMFYSA-N 1 0 343.387 1.988 20 5 EDBDRO COc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000275461806 268346417 /nfs/dbraw/zinc/34/64/17/268346417.db2.gz KEUCTFXCMJQOKI-UHFFFAOYSA-N 1 0 343.405 1.366 20 5 EDBDRO COCCO[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000275553565 268359681 /nfs/dbraw/zinc/35/96/81/268359681.db2.gz NBQPUSTUXITXGD-ZBFHGGJFSA-N 1 0 340.376 1.072 20 5 EDBDRO O=C(NCCN1CCCOCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000275938608 268385292 /nfs/dbraw/zinc/38/52/92/268385292.db2.gz WWVVYPWCUXWADC-UHFFFAOYSA-N 1 0 333.344 1.793 20 5 EDBDRO C[C@H]1C[C@@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000273465473 273041556 /nfs/dbraw/zinc/04/15/56/273041556.db2.gz JDMNONCGNBIJPF-VHSXEESVSA-N 1 0 340.405 1.279 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000275596198 273112247 /nfs/dbraw/zinc/11/22/47/273112247.db2.gz HHJNLHOVMDKKPT-UHFFFAOYSA-N 1 0 340.380 1.693 20 5 EDBDRO C[NH+](C)CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000047706517 272913703 /nfs/dbraw/zinc/91/37/03/272913703.db2.gz JKLYHNNOAYGPCT-UHFFFAOYSA-N 1 0 335.282 1.827 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000277757953 273223994 /nfs/dbraw/zinc/22/39/94/273223994.db2.gz JVYAMELUGKPPOY-UHFFFAOYSA-N 1 0 340.811 1.767 20 5 EDBDRO CCC[C@]1(CO)CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000277821184 273229230 /nfs/dbraw/zinc/22/92/30/273229230.db2.gz QWVGPKTVTMYYND-DOTOQJQBSA-N 1 0 338.404 1.962 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+]CCn1cccn1 ZINC000112548185 274119300 /nfs/dbraw/zinc/11/93/00/274119300.db2.gz NVJDTAWPYWLBPN-NSHDSACASA-N 1 0 333.348 1.417 20 5 EDBDRO CN1CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000284254959 274134808 /nfs/dbraw/zinc/13/48/08/274134808.db2.gz LSRNCNQBYATIOD-IXDOHACOSA-N 1 0 345.403 1.187 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]2C1 ZINC000284703977 274300709 /nfs/dbraw/zinc/30/07/09/274300709.db2.gz SVCIDBLYSFPQBX-LSDHHAIUSA-N 1 0 336.348 1.408 20 5 EDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)[N@H+](C)C1 ZINC000284704310 274300727 /nfs/dbraw/zinc/30/07/27/274300727.db2.gz KDNFLUGJDQBGRD-RYUDHWBXSA-N 1 0 340.355 1.917 20 5 EDBDRO C[N@@H+]1CCO[C@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C[C@@H]21 ZINC000284949074 274398998 /nfs/dbraw/zinc/39/89/98/274398998.db2.gz JQVLGEYHTILJGX-KBPBESRZSA-N 1 0 345.359 1.153 20 5 EDBDRO CC[C@@H](C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])[NH+](C)C ZINC000178348712 276406508 /nfs/dbraw/zinc/40/65/08/276406508.db2.gz LGJVDDATHNGBMR-LBPRGKRZSA-N 1 0 339.392 1.611 20 5 EDBDRO CCOC[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000286036989 287920310 /nfs/dbraw/zinc/92/03/10/287920310.db2.gz IDXBVYWMJJDMLT-GOEBONIOSA-N 1 0 326.393 1.985 20 5 EDBDRO C[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000120459761 277269913 /nfs/dbraw/zinc/26/99/13/277269913.db2.gz LQQOPJBVQLEFJW-HNNXBMFYSA-N 1 0 348.403 1.186 20 5 EDBDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000426189946 277289253 /nfs/dbraw/zinc/28/92/53/277289253.db2.gz CVYKWRRDDZNIPL-AWEZNQCLSA-N 1 0 327.406 1.151 20 5 EDBDRO C[C@@H](CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000344937836 278232526 /nfs/dbraw/zinc/23/25/26/278232526.db2.gz ASEGBYJLOGJUEU-ZDUSSCGKSA-N 1 0 337.424 1.907 20 5 EDBDRO C[C@@H](Cn1cccn1)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000265090481 278300078 /nfs/dbraw/zinc/30/00/78/278300078.db2.gz SZFUIHLODDZOQV-LBPRGKRZSA-N 1 0 329.360 1.359 20 5 EDBDRO O=C(CC[N@H+]1CCC[C@@](F)(CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000286717567 288069151 /nfs/dbraw/zinc/06/91/51/288069151.db2.gz CFHXOQFSXYOKDY-HNNXBMFYSA-N 1 0 325.340 1.720 20 5 EDBDRO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000286818833 288096058 /nfs/dbraw/zinc/09/60/58/288096058.db2.gz QIAGDCUABQQIBH-CYBMUJFWSA-N 1 0 344.375 1.307 20 5 EDBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000359990812 279132680 /nfs/dbraw/zinc/13/26/80/279132680.db2.gz DLLAWLGYGOASGW-LBPRGKRZSA-N 1 0 329.422 1.745 20 5 EDBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000189555938 279283603 /nfs/dbraw/zinc/28/36/03/279283603.db2.gz CAESEDRWAXNQOQ-GFCCVEGCSA-N 1 0 344.371 1.946 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000287029415 288141220 /nfs/dbraw/zinc/14/12/20/288141220.db2.gz IGQHQQVWSURINA-GXTWGEPZSA-N 1 0 335.408 1.575 20 5 EDBDRO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000287202401 288179535 /nfs/dbraw/zinc/17/95/35/288179535.db2.gz DPCJWEHMHKZZIV-VXGBXAGGSA-N 1 0 339.396 1.779 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000237397755 281262027 /nfs/dbraw/zinc/26/20/27/281262027.db2.gz VJXYFPBAXNRYNG-NEPJUHHUSA-N 1 0 327.406 1.794 20 5 EDBDRO Cc1nn(C)c(C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000288173144 288422834 /nfs/dbraw/zinc/42/28/34/288422834.db2.gz MQIVYQYPUQWDKJ-ZDUSSCGKSA-N 1 0 349.366 1.809 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290269492 288869587 /nfs/dbraw/zinc/86/95/87/288869587.db2.gz YHKLKBDBCQELMY-CQSZACIVSA-N 1 0 332.404 1.855 20 5 EDBDRO Cn1cc([C@H]2[C@H](CNc3ccc([N+](=O)[O-])cn3)CCC[N@@H+]2C)cn1 ZINC000377707530 447306419 /nfs/dbraw/zinc/30/64/19/447306419.db2.gz RBDAOLFCVXDXDX-BLLLJJGKSA-N 1 0 330.392 2.218 20 5 EDBDRO Cc1c([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cnn1C ZINC000372834808 447307912 /nfs/dbraw/zinc/30/79/12/447307912.db2.gz CKQWHHYGAQKAID-HNNXBMFYSA-N 1 0 331.376 1.636 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420009371 304725373 /nfs/dbraw/zinc/72/53/73/304725373.db2.gz CPQGTNSJBFTZGX-OCCSQVGLSA-N 1 0 348.403 1.187 20 5 EDBDRO CCc1ccccc1[C@H]([NH3+])CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000420275729 304741924 /nfs/dbraw/zinc/74/19/24/304741924.db2.gz LNGSUDJXRCMWGP-CYBMUJFWSA-N 1 0 329.360 1.763 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000420423397 304756608 /nfs/dbraw/zinc/75/66/08/304756608.db2.gz RHAGAMVUWZKKOU-QWHCGFSZSA-N 1 0 341.433 1.878 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000420425477 304756876 /nfs/dbraw/zinc/75/68/76/304756876.db2.gz UNPPYDHFGLLHAS-LBPRGKRZSA-N 1 0 327.406 1.056 20 5 EDBDRO COc1ccc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000420447007 304759554 /nfs/dbraw/zinc/75/95/54/304759554.db2.gz PPVWDBPOOPGHMV-LLVKDONJSA-N 1 0 343.405 1.414 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000420447906 304759706 /nfs/dbraw/zinc/75/97/06/304759706.db2.gz KMFBWYCIUFRDNU-LBPRGKRZSA-N 1 0 327.406 1.632 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC(=O)N[C@H]1[C@H]1CCCO1 ZINC000377729921 447322867 /nfs/dbraw/zinc/32/28/67/447322867.db2.gz XXVNJKGEOHFENB-BFYDXBDKSA-N 1 0 333.388 1.819 20 5 EDBDRO Cc1c(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000293841307 303027491 /nfs/dbraw/zinc/02/74/91/303027491.db2.gz IZMOHVVPCNCTBE-MRXNPFEDSA-N 1 0 348.359 1.979 20 5 EDBDRO C[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294110367 303064376 /nfs/dbraw/zinc/06/43/76/303064376.db2.gz JZWSRPKGTOWJEY-GHMZBOCLSA-N 1 0 327.406 1.652 20 5 EDBDRO C[C@H]([NH2+]C1CC1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000294971397 303158388 /nfs/dbraw/zinc/15/83/88/303158388.db2.gz GLNZLOVDIIJHLG-LBPRGKRZSA-N 1 0 346.387 1.020 20 5 EDBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000295104830 303173933 /nfs/dbraw/zinc/17/39/33/303173933.db2.gz UDCQAUYOCCIKCG-CFNZNRNTSA-N 1 0 327.406 1.525 20 5 EDBDRO CN(Cc1csc([N+](=O)[O-])c1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295173980 303184016 /nfs/dbraw/zinc/18/40/16/303184016.db2.gz UQUSKTYJUHNESQ-NSHDSACASA-N 1 0 345.421 1.974 20 5 EDBDRO CC[C@H](C)[NH+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000296125695 303296550 /nfs/dbraw/zinc/29/65/50/303296550.db2.gz RDJAZSQUWQFDHI-HOCLYGCPSA-N 1 0 337.420 1.751 20 5 EDBDRO CC[C@@H](C)[NH+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000296125688 303296799 /nfs/dbraw/zinc/29/67/99/303296799.db2.gz RDJAZSQUWQFDHI-GDBMZVCRSA-N 1 0 337.420 1.751 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296556893 303323766 /nfs/dbraw/zinc/32/37/66/303323766.db2.gz WOKMGPGBWUWWFN-GXTWGEPZSA-N 1 0 336.392 1.676 20 5 EDBDRO C[C@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000296676804 303330747 /nfs/dbraw/zinc/33/07/47/303330747.db2.gz HPYREJIQTYEREU-GOEBONIOSA-N 1 0 349.431 1.751 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000299429840 303617842 /nfs/dbraw/zinc/61/78/42/303617842.db2.gz WZIDINMFDKAUDA-AWEZNQCLSA-N 1 0 349.366 1.658 20 5 EDBDRO COc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(N)n2)[NH+](C)C)cc1 ZINC000301075425 303659977 /nfs/dbraw/zinc/65/99/77/303659977.db2.gz HBRBWCYQSPKRSK-LBPRGKRZSA-N 1 0 332.364 1.690 20 5 EDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[N@H+]1CCO ZINC000493569200 447343434 /nfs/dbraw/zinc/34/34/34/447343434.db2.gz RYPLFNNWUPMPQT-XVJNWHFHSA-N 1 0 333.388 1.571 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000331838596 304804312 /nfs/dbraw/zinc/80/43/12/304804312.db2.gz BDMWTQCJUJQDLP-DOMZBBRYSA-N 1 0 339.417 1.748 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000421744361 304811734 /nfs/dbraw/zinc/81/17/34/304811734.db2.gz ZSQUAXPLPPXZJN-UHFFFAOYSA-N 1 0 334.420 1.531 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000429532040 305031636 /nfs/dbraw/zinc/03/16/36/305031636.db2.gz CHZYTLZYXRUWKZ-LLVKDONJSA-N 1 0 340.428 1.271 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000429770891 305036567 /nfs/dbraw/zinc/03/65/67/305036567.db2.gz GFJGGWDJTBSSOJ-ZIAGYGMSSA-N 1 0 334.376 1.062 20 5 EDBDRO O=C1[C@H]([NH2+][C@H]2CCC[C@H]2CCO)CCN1c1cccc([N+](=O)[O-])c1 ZINC000429772785 305036811 /nfs/dbraw/zinc/03/68/11/305036811.db2.gz YAABBECFZOAQBP-VBNZEHGJSA-N 1 0 333.388 1.841 20 5 EDBDRO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000430639387 305060804 /nfs/dbraw/zinc/06/08/04/305060804.db2.gz HXNKUOJXWFUDNS-NSHDSACASA-N 1 0 347.375 1.023 20 5 EDBDRO Cc1c([C@H]2[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC(=O)N2C)cnn1C ZINC000431667695 305081433 /nfs/dbraw/zinc/08/14/33/305081433.db2.gz PVIFJBYFODIXFA-WBVHZDCISA-N 1 0 343.387 1.698 20 5 EDBDRO Cc1cc(OCC(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000432197252 305088849 /nfs/dbraw/zinc/08/88/49/305088849.db2.gz XGOITRYCJCSXTF-DOMZBBRYSA-N 1 0 333.388 1.881 20 5 EDBDRO CC(C)[C@H]1C[N@H+](C)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000436482610 305158393 /nfs/dbraw/zinc/15/83/93/305158393.db2.gz IKGFUEPDCDPAEX-GDBMZVCRSA-N 1 0 337.420 1.607 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000440428893 305206544 /nfs/dbraw/zinc/20/65/44/305206544.db2.gz QRUJIBQCNWYILS-VXGBXAGGSA-N 1 0 327.406 1.651 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000440856344 305213486 /nfs/dbraw/zinc/21/34/86/305213486.db2.gz HBPCUWPHMDPBTP-DTWKUNHWSA-N 1 0 347.368 1.291 20 5 EDBDRO C[C@@H](C[NH3+])CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000441627520 305223024 /nfs/dbraw/zinc/22/30/24/305223024.db2.gz MGBKZVLYKPQACZ-QMMMGPOBSA-N 1 0 335.282 1.861 20 5 EDBDRO C[C@H](C[NH3+])CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000441627517 305223097 /nfs/dbraw/zinc/22/30/97/305223097.db2.gz MGBKZVLYKPQACZ-MRVPVSSYSA-N 1 0 335.282 1.861 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000442175295 305226722 /nfs/dbraw/zinc/22/67/22/305226722.db2.gz QJYWTACRXLOXRY-RYUDHWBXSA-N 1 0 334.376 1.441 20 5 EDBDRO Cn1cc([C@@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@H]2CO)cn1 ZINC000444747942 305251803 /nfs/dbraw/zinc/25/18/03/305251803.db2.gz MQNNLEUUSMAUJS-STQMWFEESA-N 1 0 334.351 1.675 20 5 EDBDRO CSC[C@H](CCO)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447539715 305281794 /nfs/dbraw/zinc/28/17/94/305281794.db2.gz AYVUFTOOHIWBBQ-XQQFMLRXSA-N 1 0 328.438 1.979 20 5 EDBDRO COc1cc(C(=O)N(C)CC[NH+]2CCCC2)c([N+](=O)[O-])cc1F ZINC000448903991 305303400 /nfs/dbraw/zinc/30/34/00/305303400.db2.gz LOYXPYUEXSOPHV-UHFFFAOYSA-N 1 0 325.340 1.910 20 5 EDBDRO Nc1c(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc(F)cc1[N+](=O)[O-] ZINC000449696150 305317306 /nfs/dbraw/zinc/31/73/06/305317306.db2.gz JQUXUBSNACRYAQ-QWRGUYRKSA-N 1 0 336.367 1.778 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@](O)(C(F)F)C2)c1 ZINC000451441032 305346552 /nfs/dbraw/zinc/34/65/52/305346552.db2.gz QXLALNWRDNPSNQ-SMDDNHRTSA-N 1 0 332.303 1.036 20 5 EDBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCS(=O)(=O)CC1 ZINC000527518213 305848530 /nfs/dbraw/zinc/84/85/30/305848530.db2.gz WGBHXKHNPSSUAL-GFCCVEGCSA-N 1 0 342.417 1.777 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2cn3ccccc3n2)c1 ZINC000554184838 306189501 /nfs/dbraw/zinc/18/95/01/306189501.db2.gz WIHYXYXUQWOHNF-HNNXBMFYSA-N 1 0 342.355 1.772 20 5 EDBDRO COC(=O)COc1ccc(CN[C@@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000414961747 447375639 /nfs/dbraw/zinc/37/56/39/447375639.db2.gz WCPWBYBWVHMSED-DGCLKSJQSA-N 1 0 337.376 1.377 20 5 EDBDRO Cc1nn(Cc2ccc(C(=O)N[C@H](C)[C@@H](C)[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000449588282 447377475 /nfs/dbraw/zinc/37/74/75/447377475.db2.gz IQRICGTTWCYGAJ-GHMZBOCLSA-N 1 0 345.403 1.922 20 5 EDBDRO Cn1cc(CN2CCCO[C@@H](C[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415114583 447389853 /nfs/dbraw/zinc/38/98/53/447389853.db2.gz VVGLQYLASYGLKR-INIZCTEOSA-N 1 0 345.403 1.545 20 5 EDBDRO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000426257297 447408236 /nfs/dbraw/zinc/40/82/36/447408236.db2.gz PEGMAVFVNOPEBX-UKRRQHHQSA-N 1 0 337.376 1.777 20 5 EDBDRO CC[NH+]1CCC(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000045059341 440944958 /nfs/dbraw/zinc/94/49/58/440944958.db2.gz GMIQQGZVCLZALK-UHFFFAOYSA-N 1 0 343.387 1.995 20 5 EDBDRO C[C@@H]1C[N@@H+](CCCNC(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000047433317 441187882 /nfs/dbraw/zinc/18/78/82/441187882.db2.gz FXUZESCTVSWYOZ-OKILXGFUSA-N 1 0 335.404 1.753 20 5 EDBDRO COc1ccc(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000104747513 441204196 /nfs/dbraw/zinc/20/41/96/441204196.db2.gz WVSHLYAOLMMGFI-LLVKDONJSA-N 1 0 343.405 1.176 20 5 EDBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000106504000 441346883 /nfs/dbraw/zinc/34/68/83/441346883.db2.gz SJSWFLKFICYUCA-MRXNPFEDSA-N 1 0 347.419 1.839 20 5 EDBDRO O=C(CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCCCC1 ZINC000026595095 441381033 /nfs/dbraw/zinc/38/10/33/441381033.db2.gz IXBITCWAOPKEBR-UHFFFAOYSA-N 1 0 347.419 1.514 20 5 EDBDRO Cc1c(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000106582472 441359751 /nfs/dbraw/zinc/35/97/51/441359751.db2.gz PPJWNKGLJQKTNQ-GFCCVEGCSA-N 1 0 335.408 1.661 20 5 EDBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000106799188 441372476 /nfs/dbraw/zinc/37/24/76/441372476.db2.gz SIWVCGQLJXEODZ-QGZVFWFLSA-N 1 0 346.431 1.376 20 5 EDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000064334128 441373626 /nfs/dbraw/zinc/37/36/26/441373626.db2.gz RKAIGYCHEGEAQS-BUWFCSEKSA-N 1 0 331.372 1.587 20 5 EDBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000106806457 441374585 /nfs/dbraw/zinc/37/45/85/441374585.db2.gz RJLRUUJMKQSPQV-AWEZNQCLSA-N 1 0 332.404 1.447 20 5 EDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000052693709 441469777 /nfs/dbraw/zinc/46/97/77/441469777.db2.gz TVTAKMOXTXVBGN-CHWSQXEVSA-N 1 0 341.433 1.917 20 5 EDBDRO C[NH+]1CCN(CCCNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087005336 441475364 /nfs/dbraw/zinc/47/53/64/441475364.db2.gz QJLWCNBFAURGON-UHFFFAOYSA-N 1 0 334.420 1.281 20 5 EDBDRO Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000032268108 441550041 /nfs/dbraw/zinc/55/00/41/441550041.db2.gz BPUZMONECWCTNH-OAHLLOKOSA-N 1 0 335.404 1.990 20 5 EDBDRO CC[NH+]1CCN(CCC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000089302710 441536549 /nfs/dbraw/zinc/53/65/49/441536549.db2.gz XHSVELVQUCOENO-UHFFFAOYSA-N 1 0 334.420 1.281 20 5 EDBDRO C[NH+](C)C1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000075668978 441546412 /nfs/dbraw/zinc/54/64/12/441546412.db2.gz IIROWHXTMORKCN-UHFFFAOYSA-N 1 0 327.406 1.529 20 5 EDBDRO COC(=O)[C@@H](C)C[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000114062904 441632621 /nfs/dbraw/zinc/63/26/21/441632621.db2.gz IYEMJGAACVMUSV-NSHDSACASA-N 1 0 337.376 1.973 20 5 EDBDRO Cc1c(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000041240853 441640260 /nfs/dbraw/zinc/64/02/60/441640260.db2.gz LSWFDQSKDUANBS-UHFFFAOYSA-N 1 0 346.387 1.585 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000067823440 441683196 /nfs/dbraw/zinc/68/31/96/441683196.db2.gz SGQIQLGPWOTRBK-HNNXBMFYSA-N 1 0 343.387 1.490 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC(N)=O)CC(C)C ZINC000067962961 441702186 /nfs/dbraw/zinc/70/21/86/441702186.db2.gz FBPWYPFMLLUTQS-UHFFFAOYSA-N 1 0 336.392 1.675 20 5 EDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000173486079 441766344 /nfs/dbraw/zinc/76/63/44/441766344.db2.gz BKPUWFKZGLNPSJ-CQSZACIVSA-N 1 0 334.420 1.831 20 5 EDBDRO C[C@@H](CC[NH+](C)C)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000068473277 441806382 /nfs/dbraw/zinc/80/63/82/441806382.db2.gz IMRCGDYZXHRDEV-RYUDHWBXSA-N 1 0 336.392 1.170 20 5 EDBDRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CC2)cc1 ZINC000068801088 441855007 /nfs/dbraw/zinc/85/50/07/441855007.db2.gz PTTHXZBHCNBXNX-SJORKVTESA-N 1 0 347.415 1.689 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000125105777 441984763 /nfs/dbraw/zinc/98/47/63/441984763.db2.gz UKQGAEQQJYQULS-UWVGGRQHSA-N 1 0 329.378 1.152 20 5 EDBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](CC(N)=O)C2)c([N+](=O)[O-])c1 ZINC000175222275 442020966 /nfs/dbraw/zinc/02/09/66/442020966.db2.gz YNHFNVHVVGNHSW-GFCCVEGCSA-N 1 0 337.376 1.570 20 5 EDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000161695774 442023965 /nfs/dbraw/zinc/02/39/65/442023965.db2.gz LSOFDQIYYUQBHR-WDEREUQCSA-N 1 0 330.348 1.175 20 5 EDBDRO Cn1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000161726106 442028040 /nfs/dbraw/zinc/02/80/40/442028040.db2.gz HWAZBUUWXNOIOZ-QWHCGFSZSA-N 1 0 343.387 1.995 20 5 EDBDRO Cc1nc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000151635807 442096506 /nfs/dbraw/zinc/09/65/06/442096506.db2.gz YERIUDDAGWNUAP-AWEZNQCLSA-N 1 0 333.392 1.041 20 5 EDBDRO O=C1C[C@@H](c2ccccc2)[N@H+](CCn2ccc([N+](=O)[O-])n2)CCN1 ZINC000176214591 442193160 /nfs/dbraw/zinc/19/31/60/442193160.db2.gz HKMAWNYTXDLTFJ-AWEZNQCLSA-N 1 0 329.360 1.355 20 5 EDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000170690244 442248968 /nfs/dbraw/zinc/24/89/68/442248968.db2.gz AWSSRHIXFIAZCW-NWDGAFQWSA-N 1 0 342.421 1.161 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000129215185 442305958 /nfs/dbraw/zinc/30/59/58/442305958.db2.gz FWKQLGRETRNOMF-OAHLLOKOSA-N 1 0 343.387 1.745 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)c1C ZINC000170873682 442281757 /nfs/dbraw/zinc/28/17/57/442281757.db2.gz GRCGLJPAEFYIAK-LBPRGKRZSA-N 1 0 327.406 1.536 20 5 EDBDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000177248251 442319174 /nfs/dbraw/zinc/31/91/74/442319174.db2.gz MNWTXNYWFSTYRM-AAEUAGOBSA-N 1 0 331.376 1.998 20 5 EDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153901815 442309864 /nfs/dbraw/zinc/30/98/64/442309864.db2.gz VYWLCIUOVMWJTA-CQSZACIVSA-N 1 0 341.433 1.698 20 5 EDBDRO COC1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCOCC1 ZINC000610959367 450392850 /nfs/dbraw/zinc/39/28/50/450392850.db2.gz MVIFIUZKLRJOSP-UHFFFAOYSA-N 1 0 338.360 1.651 20 5 EDBDRO COc1ccc(NC(=O)[C@@H](C)N2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000178630047 442449356 /nfs/dbraw/zinc/44/93/56/442449356.db2.gz PNOXYAHLCINRAZ-CHWSQXEVSA-N 1 0 348.403 1.710 20 5 EDBDRO O=C(CC[NH+]1CCC(n2cncn2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000156621098 442502329 /nfs/dbraw/zinc/50/23/29/442502329.db2.gz XURFDHPCTOBDSC-UHFFFAOYSA-N 1 0 344.375 1.852 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(c3ccncc3)CC2)c1 ZINC000191650957 442483447 /nfs/dbraw/zinc/48/34/47/442483447.db2.gz NQQDYZSNMGKCIQ-MRXNPFEDSA-N 1 0 331.376 1.427 20 5 EDBDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000134961707 442541357 /nfs/dbraw/zinc/54/13/57/442541357.db2.gz GWJICEZRWKHSIK-ZDUSSCGKSA-N 1 0 329.360 1.885 20 5 EDBDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000186422464 442531776 /nfs/dbraw/zinc/53/17/76/442531776.db2.gz IVFRBQSAIOPUHT-GFCCVEGCSA-N 1 0 339.396 1.638 20 5 EDBDRO Cc1cnc(CC[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000157857291 442621410 /nfs/dbraw/zinc/62/14/10/442621410.db2.gz NHDRXAAHYJVMSQ-LBPRGKRZSA-N 1 0 325.394 1.092 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000173255170 442634499 /nfs/dbraw/zinc/63/44/99/442634499.db2.gz SWAVCKSVRSAVHP-DOMZBBRYSA-N 1 0 341.433 1.946 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181292238 442688391 /nfs/dbraw/zinc/68/83/91/442688391.db2.gz NHSHRPVMJOEKJA-LBPRGKRZSA-N 1 0 335.360 1.880 20 5 EDBDRO COc1cc(CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000192821688 442689864 /nfs/dbraw/zinc/68/98/64/442689864.db2.gz ZZRMCIZZVCMHAS-NWDGAFQWSA-N 1 0 341.383 1.629 20 5 EDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)C[NH+]1CCN(C)CC1 ZINC000193576533 442755997 /nfs/dbraw/zinc/75/59/97/442755997.db2.gz SYRKENSRERZDLY-NSHDSACASA-N 1 0 326.422 1.270 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CCC[NH+](C)C ZINC000182015199 442728317 /nfs/dbraw/zinc/72/83/17/442728317.db2.gz OZSAJDFRHZVGAV-GFCCVEGCSA-N 1 0 336.392 1.123 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[NH+](C2CCCC2)CC1 ZINC000182205633 442745092 /nfs/dbraw/zinc/74/50/92/442745092.db2.gz ZXWYTKSBTSDOOK-INIZCTEOSA-N 1 0 349.431 1.895 20 5 EDBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000265486186 442791521 /nfs/dbraw/zinc/79/15/21/442791521.db2.gz BDVJMKMPIHDISU-LBPRGKRZSA-N 1 0 328.376 1.678 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000182652190 442800945 /nfs/dbraw/zinc/80/09/45/442800945.db2.gz FPKPLOZCBAQUEI-CQSZACIVSA-N 1 0 334.420 1.670 20 5 EDBDRO C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000193957636 442818963 /nfs/dbraw/zinc/81/89/63/442818963.db2.gz PBYVPBWPRVKINE-GFCCVEGCSA-N 1 0 327.406 1.605 20 5 EDBDRO COc1cc(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000268134766 442862767 /nfs/dbraw/zinc/86/27/67/442862767.db2.gz BDTOJYOWMQUGQY-QWRGUYRKSA-N 1 0 327.356 1.634 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000268167512 442881203 /nfs/dbraw/zinc/88/12/03/442881203.db2.gz DQYDQZADHVOIQB-JSGCOSHPSA-N 1 0 332.404 1.630 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000183112232 442882039 /nfs/dbraw/zinc/88/20/39/442882039.db2.gz BVMGOSMZGPTKLK-CYBMUJFWSA-N 1 0 337.424 1.871 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](CO)O[C@@H](C)C1 ZINC000248863030 442931188 /nfs/dbraw/zinc/93/11/88/442931188.db2.gz ALPLTPPROHUBNR-GXTWGEPZSA-N 1 0 337.376 1.313 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000268298277 442938000 /nfs/dbraw/zinc/93/80/00/442938000.db2.gz NYHGVHLBXHXGQP-YGRLFVJLSA-N 1 0 334.376 1.250 20 5 EDBDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)[nH]1 ZINC000268421332 442982526 /nfs/dbraw/zinc/98/25/26/442982526.db2.gz CSIWJBSYUSQYIX-CYBMUJFWSA-N 1 0 344.375 1.500 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)Cc2ccccc2C1 ZINC000265963756 442986579 /nfs/dbraw/zinc/98/65/79/442986579.db2.gz HYJDBISUOFMBGQ-UHFFFAOYSA-N 1 0 328.372 1.752 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000189969888 443039893 /nfs/dbraw/zinc/03/98/93/443039893.db2.gz ACFHKLVYPYUHJY-ZDUSSCGKSA-N 1 0 341.433 1.784 20 5 EDBDRO O=C(NC1CC1)c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000266298954 443090498 /nfs/dbraw/zinc/09/04/98/443090498.db2.gz YBNQNLQYZXTLHM-OAHLLOKOSA-N 1 0 342.399 1.938 20 5 EDBDRO CC[C@H]([NH2+]CC1CN(S(=O)(=O)CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000190687107 443165404 /nfs/dbraw/zinc/16/54/04/443165404.db2.gz FCJANZWXHCXQHG-HNNXBMFYSA-N 1 0 341.433 1.917 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c1C ZINC000261959565 443176481 /nfs/dbraw/zinc/17/64/81/443176481.db2.gz XMOIMVIUKGCFHJ-ZWNOBZJWSA-N 1 0 341.433 1.817 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000269031963 443177553 /nfs/dbraw/zinc/17/75/53/443177553.db2.gz ANRMAOSAUFPOAQ-DOTOQJQBSA-N 1 0 345.403 1.729 20 5 EDBDRO CN1CC[NH+](CC2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 ZINC000299139730 318882327 /nfs/dbraw/zinc/88/23/27/318882327.db2.gz IMFYGNFZZKPZAN-UHFFFAOYSA-N 1 0 335.408 1.023 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000319563567 318937923 /nfs/dbraw/zinc/93/79/23/318937923.db2.gz RXYKUYUYYRTYPR-BXUZGUMPSA-N 1 0 327.406 1.509 20 5 EDBDRO C[C@@H]1CCC[C@](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)(N(C)C)C1 ZINC000324685280 318943602 /nfs/dbraw/zinc/94/36/02/318943602.db2.gz QPKDLUZHTDUAQY-KBMXLJTQSA-N 1 0 339.440 1.252 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1Cc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000351042969 319089058 /nfs/dbraw/zinc/08/90/58/319089058.db2.gz DHAAJSDSKBAJPE-UHFFFAOYSA-N 1 0 325.288 1.846 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000411661703 319193374 /nfs/dbraw/zinc/19/33/74/319193374.db2.gz AQOYOIOUGIAKFG-LBPRGKRZSA-N 1 0 334.376 1.381 20 5 EDBDRO COc1cc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)c([N+](=O)[O-])cc1F ZINC000411986331 319218644 /nfs/dbraw/zinc/21/86/44/319218644.db2.gz KJZNQJGCINBIRK-GWCFXTLKSA-N 1 0 328.340 1.620 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000185835277 443266906 /nfs/dbraw/zinc/26/69/06/443266906.db2.gz ZYHJIFPEWJFPKP-ZDUSSCGKSA-N 1 0 339.417 1.701 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000272437464 443316324 /nfs/dbraw/zinc/31/63/24/443316324.db2.gz KKOSXVRJBRSGJN-IUODEOHRSA-N 1 0 348.403 1.839 20 5 EDBDRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000278451429 443335432 /nfs/dbraw/zinc/33/54/32/443335432.db2.gz XNTRIIBTDCWICP-YDHLFZDLSA-N 1 0 326.393 1.966 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264600938 443342021 /nfs/dbraw/zinc/34/20/21/443342021.db2.gz XQWUIQOEBUSTNT-CQSZACIVSA-N 1 0 335.408 1.577 20 5 EDBDRO CCN1CCN(C(=O)[C@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000282452382 443343248 /nfs/dbraw/zinc/34/32/48/443343248.db2.gz LXJQMZZXEKEOPQ-HNNXBMFYSA-N 1 0 348.447 1.622 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000267175504 443367960 /nfs/dbraw/zinc/36/79/60/443367960.db2.gz AUNMLFVSILOOFI-LLVKDONJSA-N 1 0 342.421 1.020 20 5 EDBDRO CC[C@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CC[N@@H+]1CCOC ZINC000264762865 443412202 /nfs/dbraw/zinc/41/22/02/443412202.db2.gz OARHVKQZWYCUSI-NSHDSACASA-N 1 0 335.364 1.678 20 5 EDBDRO COc1ccc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000610999227 450402111 /nfs/dbraw/zinc/40/21/11/450402111.db2.gz QJTCCJVRUGRJCX-OAHLLOKOSA-N 1 0 347.371 1.870 20 5 EDBDRO C[N@H+](CCOCCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000282632964 443394695 /nfs/dbraw/zinc/39/46/95/443394695.db2.gz YTPHDBHKWZASSY-UHFFFAOYSA-N 1 0 329.328 1.003 20 5 EDBDRO CC(C)OCC[NH+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269695938 443400385 /nfs/dbraw/zinc/40/03/85/443400385.db2.gz WUKGQPGZDFWOMH-KRWDZBQOSA-N 1 0 337.420 1.671 20 5 EDBDRO COc1cc(OCC(=O)N2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000264937941 443484282 /nfs/dbraw/zinc/48/42/82/443484282.db2.gz GKDPAQKONWZPRY-UHFFFAOYSA-N 1 0 349.387 1.679 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@]1(O)CCO[C@@H]1C ZINC000278851551 443461608 /nfs/dbraw/zinc/46/16/08/443461608.db2.gz QJAQQYLQGNKOLT-HSMVNMDESA-N 1 0 337.376 1.441 20 5 EDBDRO O=C1NC(=O)[C@]2(CCC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000279068422 443508150 /nfs/dbraw/zinc/50/81/50/443508150.db2.gz MHZGQIBGVHVEIL-MRXNPFEDSA-N 1 0 348.359 1.038 20 5 EDBDRO COC(=O)c1cc(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000423605659 319790920 /nfs/dbraw/zinc/79/09/20/319790920.db2.gz VTMWHDKQGRGHRS-CYBMUJFWSA-N 1 0 335.360 1.596 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000273051274 443528496 /nfs/dbraw/zinc/52/84/96/443528496.db2.gz VFCQQYFSENLRKF-INIZCTEOSA-N 1 0 346.387 1.642 20 5 EDBDRO C[C@H](Cn1cccn1)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000273193910 443559587 /nfs/dbraw/zinc/55/95/87/443559587.db2.gz OLUGYIZUZXGQEC-LLVKDONJSA-N 1 0 335.339 1.937 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000265258584 443586184 /nfs/dbraw/zinc/58/61/84/443586184.db2.gz XWIKJHUYZYQFKX-UKRRQHHQSA-N 1 0 339.417 1.808 20 5 EDBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000286077659 443640882 /nfs/dbraw/zinc/64/08/82/443640882.db2.gz HBHDOLLMNLFMFT-GBIKHYSHSA-N 1 0 345.359 1.759 20 5 EDBDRO COc1cc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc([N+](=O)[O-])c1OC ZINC000429171950 319923180 /nfs/dbraw/zinc/92/31/80/319923180.db2.gz PTDVYOMPKMTAAQ-ZWNOBZJWSA-N 1 0 337.376 1.811 20 5 EDBDRO C[N@H+](CCO)C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000272418126 443619142 /nfs/dbraw/zinc/61/91/42/443619142.db2.gz XEFWLCKNMLSJEA-UHFFFAOYSA-N 1 0 347.371 1.870 20 5 EDBDRO C[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000280101957 443663630 /nfs/dbraw/zinc/66/36/30/443663630.db2.gz AIMQQOVAIMJPNW-VXGBXAGGSA-N 1 0 343.387 1.803 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC[NH2+]C2)c2ncccc12 ZINC000440863245 320084714 /nfs/dbraw/zinc/08/47/14/320084714.db2.gz UODWXBNOUZEXBV-JTQLQIEISA-N 1 0 336.373 1.031 20 5 EDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000449216645 320179050 /nfs/dbraw/zinc/17/90/50/320179050.db2.gz UJIZHWSNGMKIIV-STQMWFEESA-N 1 0 341.433 1.397 20 5 EDBDRO COc1nccc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000449373002 320185563 /nfs/dbraw/zinc/18/55/63/320185563.db2.gz MVBPCGOEMWTMBE-LLVKDONJSA-N 1 0 345.359 1.900 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCC[N@@H+]1CCCO ZINC000449387168 320187097 /nfs/dbraw/zinc/18/70/97/320187097.db2.gz KPXDYGMYTGDBHN-MRXNPFEDSA-N 1 0 337.420 1.930 20 5 EDBDRO CCN1C[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000449521701 320193865 /nfs/dbraw/zinc/19/38/65/320193865.db2.gz VBUYPQJIFRNIOJ-YPMHNXCESA-N 1 0 334.376 1.522 20 5 EDBDRO CC(C)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1(CO)CCCC1 ZINC000459518958 320348362 /nfs/dbraw/zinc/34/83/62/320348362.db2.gz BMULNHKJGKXRBX-LSDHHAIUSA-N 1 0 340.424 1.319 20 5 EDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492741430 320384444 /nfs/dbraw/zinc/38/44/44/320384444.db2.gz WAZZUWVPIQRAFA-DEBLGDTFSA-N 1 0 347.415 1.912 20 5 EDBDRO NC(=O)c1ccnc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000290926611 443712829 /nfs/dbraw/zinc/71/28/29/443712829.db2.gz JARTZQSZNMXLCM-FZMZJTMJSA-N 1 0 345.403 1.542 20 5 EDBDRO CC(C)COC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000298199911 443718941 /nfs/dbraw/zinc/71/89/41/443718941.db2.gz HXQVWNLGLKKYEH-KRWDZBQOSA-N 1 0 337.420 1.750 20 5 EDBDRO CC[N@H+](CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)C1CC1 ZINC000298261491 443733566 /nfs/dbraw/zinc/73/35/66/443733566.db2.gz VRBRMIXNUKSDMT-UHFFFAOYSA-N 1 0 348.403 1.751 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000525297348 320489176 /nfs/dbraw/zinc/48/91/76/320489176.db2.gz KVWIPPVQOSXVQE-OAHLLOKOSA-N 1 0 346.387 1.629 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000298442871 443770840 /nfs/dbraw/zinc/77/08/40/443770840.db2.gz RDJRXMLEVNTEIO-ZDUSSCGKSA-N 1 0 345.359 1.931 20 5 EDBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000281195960 443844823 /nfs/dbraw/zinc/84/48/23/443844823.db2.gz SOANMVLHQFOIJM-MRXNPFEDSA-N 1 0 337.376 1.570 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)[C@@H]2C1 ZINC000285076472 443846690 /nfs/dbraw/zinc/84/66/90/443846690.db2.gz PODUINYFUZSGHS-QMTHXVAHSA-N 1 0 329.360 1.774 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000285260558 443916414 /nfs/dbraw/zinc/91/64/14/443916414.db2.gz MKQYPGVGOHQLDG-CVEARBPZSA-N 1 0 349.387 1.539 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000299193174 443979202 /nfs/dbraw/zinc/97/92/02/443979202.db2.gz DBSJDWQNEIAFES-GFCCVEGCSA-N 1 0 336.392 1.687 20 5 EDBDRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000552026818 320921927 /nfs/dbraw/zinc/92/19/27/320921927.db2.gz FFSLEYJYMATDGF-KRWDZBQOSA-N 1 0 344.371 1.263 20 5 EDBDRO Cc1[nH]c2ccccc2c1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000562988214 321085428 /nfs/dbraw/zinc/08/54/28/321085428.db2.gz UUTKUBSBBQIXPL-CQSZACIVSA-N 1 0 343.387 1.774 20 5 EDBDRO O=C(CC[NH2+]CCNC(=O)c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000562987251 321085573 /nfs/dbraw/zinc/08/55/73/321085573.db2.gz WXDIKAVLLCPZKK-UHFFFAOYSA-N 1 0 346.343 1.536 20 5 EDBDRO CC[NH+](CC)CCS(=O)(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000564397940 321129041 /nfs/dbraw/zinc/12/90/41/321129041.db2.gz VLVVHKMBFYNLKY-UHFFFAOYSA-N 1 0 345.421 1.235 20 5 EDBDRO COc1cc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1C ZINC000564854927 321151602 /nfs/dbraw/zinc/15/16/02/321151602.db2.gz UGCKHVMPUSUQRU-OAHLLOKOSA-N 1 0 334.376 1.302 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2ccc(F)cc2Cl)c1 ZINC000564857247 321152058 /nfs/dbraw/zinc/15/20/58/321152058.db2.gz RBBPDZABGMQJRX-CYBMUJFWSA-N 1 0 342.758 1.777 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289273375 444093593 /nfs/dbraw/zinc/09/35/93/444093593.db2.gz PJSIJDPZFCWYDP-QGZVFWFLSA-N 1 0 347.371 1.582 20 5 EDBDRO COc1ccc(C[C@H](C)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000566113652 321216780 /nfs/dbraw/zinc/21/67/80/321216780.db2.gz UFIMVRQANRFEQL-XJKSGUPXSA-N 1 0 348.403 1.629 20 5 EDBDRO CS(=O)(=O)N1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000570942465 321365673 /nfs/dbraw/zinc/36/56/73/321365673.db2.gz XGPLQGFZHXTBAR-AWEZNQCLSA-N 1 0 339.417 1.596 20 5 EDBDRO CCc1ccc(S(=O)(=O)NC2(C[NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000571399884 321386265 /nfs/dbraw/zinc/38/62/65/321386265.db2.gz MSPVGDRUDOTCBN-UHFFFAOYSA-N 1 0 341.433 1.920 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000301214577 444154741 /nfs/dbraw/zinc/15/47/41/444154741.db2.gz ZFCRBCRGILBNON-ZDUSSCGKSA-N 1 0 347.419 1.934 20 5 EDBDRO CCOCC[N@@H+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H]1C ZINC000301886312 444195448 /nfs/dbraw/zinc/19/54/48/444195448.db2.gz PUDYTTAKBDDTFI-GFCCVEGCSA-N 1 0 334.380 1.185 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301899895 444195815 /nfs/dbraw/zinc/19/58/15/444195815.db2.gz UEPOMCQXUMWEAS-LBPRGKRZSA-N 1 0 341.433 1.776 20 5 EDBDRO CCCc1n[nH]c(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000290213254 444255237 /nfs/dbraw/zinc/25/52/37/444255237.db2.gz SHJCHTMQJNHBTB-GFCCVEGCSA-N 1 0 335.408 1.732 20 5 EDBDRO CC[N@H+](CC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 ZINC000296871144 444259326 /nfs/dbraw/zinc/25/93/26/444259326.db2.gz HAJVTCDJJUHWSP-UHFFFAOYSA-N 1 0 333.392 1.123 20 5 EDBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H](O)CN2CCOCC2)C2CC2)c1 ZINC000305130292 444260024 /nfs/dbraw/zinc/26/00/24/444260024.db2.gz JQXIHJOZPNZRMV-QGZVFWFLSA-N 1 0 335.404 1.252 20 5 EDBDRO Cc1cc(NC(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000296961415 444265554 /nfs/dbraw/zinc/26/55/54/444265554.db2.gz WLFIPVVDNVHUQM-IUODEOHRSA-N 1 0 336.392 1.822 20 5 EDBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000289986465 444227653 /nfs/dbraw/zinc/22/76/53/444227653.db2.gz DDRZRHLQIIZRLU-UHFFFAOYSA-N 1 0 336.436 1.479 20 5 EDBDRO COc1ccc([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000304280052 444244951 /nfs/dbraw/zinc/24/49/51/444244951.db2.gz DNJQOBFSFXOXAU-GXFFZTMASA-N 1 0 338.339 1.651 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000317377912 444315606 /nfs/dbraw/zinc/31/56/06/444315606.db2.gz HZBIACCSBCECIH-ZJUUUORDSA-N 1 0 329.378 1.104 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000317565380 444316296 /nfs/dbraw/zinc/31/62/96/444316296.db2.gz KWTMZVUVEJYWFV-NEPJUHHUSA-N 1 0 327.406 1.651 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC[C@@H]1[NH3+] ZINC000317568874 444316419 /nfs/dbraw/zinc/31/64/19/444316419.db2.gz LJBMSRPNGRUDER-YPMHNXCESA-N 1 0 327.406 1.651 20 5 EDBDRO CS(=O)(=O)c1cccc(NCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000317729458 444317320 /nfs/dbraw/zinc/31/73/20/444317320.db2.gz LXJNWDQCBJQMGM-UHFFFAOYSA-N 1 0 327.406 1.896 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000318464622 444319804 /nfs/dbraw/zinc/31/98/04/444319804.db2.gz XAHZTVNXYWNCNV-JOYOIKCWSA-N 1 0 345.808 1.621 20 5 EDBDRO CC1CC[NH+](CC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000297098473 444274209 /nfs/dbraw/zinc/27/42/09/444274209.db2.gz YUWFEURTAUKJJP-UHFFFAOYSA-N 1 0 347.419 1.370 20 5 EDBDRO COc1ccc(OCC[NH2+][C@@](C)(C(N)=O)C(C)C)c([N+](=O)[O-])c1 ZINC000297810417 444337475 /nfs/dbraw/zinc/33/74/75/444337475.db2.gz YBLNZHZLRPHVNL-OAHLLOKOSA-N 1 0 325.365 1.472 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC[C@@H]1[NH3+] ZINC000322366505 444339692 /nfs/dbraw/zinc/33/96/92/444339692.db2.gz COLROBVVBIDMOR-OCCSQVGLSA-N 1 0 341.433 1.960 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000323331037 444342482 /nfs/dbraw/zinc/34/24/82/444342482.db2.gz MISOEVPLVXZVFI-QMTHXVAHSA-N 1 0 343.405 1.209 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CCC[NH2+]CC2)cc1C ZINC000323285018 444342588 /nfs/dbraw/zinc/34/25/88/444342588.db2.gz JXTKFMJMWMIUCG-ZDUSSCGKSA-N 1 0 341.433 1.974 20 5 EDBDRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(Cc1ccccc1[N+](=O)[O-])C2=O ZINC000578190396 321735765 /nfs/dbraw/zinc/73/57/65/321735765.db2.gz GSVQPNDOLJAUGR-MLGOLLRUSA-N 1 0 332.360 1.534 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000324525635 444356041 /nfs/dbraw/zinc/35/60/41/444356041.db2.gz XDULVVOJNFKGJF-BETUJISGSA-N 1 0 339.417 1.523 20 5 EDBDRO CN(CC(=O)N1CC[NH2+]CC1)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000325138605 444362386 /nfs/dbraw/zinc/36/23/86/444362386.db2.gz WPDXDTLMSCAXFN-UHFFFAOYSA-N 1 0 346.309 1.482 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000298054905 444399761 /nfs/dbraw/zinc/39/97/61/444399761.db2.gz FRBHUHJBYPUNAK-SMDDNHRTSA-N 1 0 337.376 1.777 20 5 EDBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000340629126 444464760 /nfs/dbraw/zinc/46/47/60/444464760.db2.gz FZZHETBHAZAEGJ-OAHLLOKOSA-N 1 0 332.360 1.964 20 5 EDBDRO CN(C)c1cccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000579703208 321962853 /nfs/dbraw/zinc/96/28/53/321962853.db2.gz FRSCATXHAPBSMZ-AWEZNQCLSA-N 1 0 346.387 1.585 20 5 EDBDRO C[C@@H]1C[NH2+]CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000579961298 321992583 /nfs/dbraw/zinc/99/25/83/321992583.db2.gz FPYWWUVTAREPSA-CYBMUJFWSA-N 1 0 332.404 1.632 20 5 EDBDRO C[C@]1(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000580340445 322039880 /nfs/dbraw/zinc/03/98/80/322039880.db2.gz WBNMDZPJWFILLT-INIZCTEOSA-N 1 0 329.360 1.712 20 5 EDBDRO C[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC2(CCC2)O1 ZINC000580442864 322052361 /nfs/dbraw/zinc/05/23/61/322052361.db2.gz WRMAYROLCDKYMQ-ZFWWWQNUSA-N 1 0 336.388 1.978 20 5 EDBDRO CCOc1cc(CN2C(=O)N[C@]3(CCC[NH2+]C3)C2=O)ccc1[N+](=O)[O-] ZINC000581130754 322140239 /nfs/dbraw/zinc/14/02/39/322140239.db2.gz YUUZNGFVIJRZTD-INIZCTEOSA-N 1 0 348.359 1.168 20 5 EDBDRO COc1ccc(OCC[NH2+][C@H]2CCC(=O)NC2(C)C)c([N+](=O)[O-])c1 ZINC000338600173 444768711 /nfs/dbraw/zinc/76/87/11/444768711.db2.gz RLNKFWYORIZIFZ-AWEZNQCLSA-N 1 0 337.376 1.629 20 5 EDBDRO Cn1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000344431520 444966371 /nfs/dbraw/zinc/96/63/71/444966371.db2.gz WUKBWOJTTBSGBB-AWEZNQCLSA-N 1 0 328.372 1.938 20 5 EDBDRO COc1cc(C(=O)N(C)C[C@H]2C[C@@H](OC)C[N@H+]2C)ccc1[N+](=O)[O-] ZINC000344502947 445017584 /nfs/dbraw/zinc/01/75/84/445017584.db2.gz CJLQUOZWDRTINJ-CHWSQXEVSA-N 1 0 337.376 1.395 20 5 EDBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000344607421 445084774 /nfs/dbraw/zinc/08/47/74/445084774.db2.gz LBOBQICMJWVSCN-CYBMUJFWSA-N 1 0 337.424 1.763 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343165517 445109389 /nfs/dbraw/zinc/10/93/89/445109389.db2.gz RAZFXAULRBDIRZ-IUODEOHRSA-N 1 0 335.408 1.021 20 5 EDBDRO CO[C@H]1C[C@H](CO)[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000344671765 445119175 /nfs/dbraw/zinc/11/91/75/445119175.db2.gz GAGVIYBGEUALBF-OLZOCXBDSA-N 1 0 337.376 1.313 20 5 EDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342089726 445165916 /nfs/dbraw/zinc/16/59/16/445165916.db2.gz BHHTWUNOCFVUQW-GUYJKWIASA-N 1 0 332.404 1.981 20 5 EDBDRO COc1ccc(CNC(=O)C[N@H+](C)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000343221017 445147031 /nfs/dbraw/zinc/14/70/31/445147031.db2.gz ILIFHSXOVBJKEP-GFCCVEGCSA-N 1 0 339.417 1.657 20 5 EDBDRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCC(=O)N1C ZINC000343440487 445223343 /nfs/dbraw/zinc/22/33/43/445223343.db2.gz OGBYWQSVWAQPGE-NHYWBVRUSA-N 1 0 349.416 1.842 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2CCC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000354503119 445266999 /nfs/dbraw/zinc/26/69/99/445266999.db2.gz POEPNDCVDGGWRH-LBPRGKRZSA-N 1 0 336.392 1.568 20 5 EDBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000348298049 445246933 /nfs/dbraw/zinc/24/69/33/445246933.db2.gz NQIJXOKLTKIKBQ-KRWDZBQOSA-N 1 0 348.403 1.438 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000348149951 445289215 /nfs/dbraw/zinc/28/92/15/445289215.db2.gz XGCGHNMRDSRESC-NWDGAFQWSA-N 1 0 337.376 1.947 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000354578014 445301925 /nfs/dbraw/zinc/30/19/25/445301925.db2.gz XQNYBOQFRSSGKZ-UHFFFAOYSA-N 1 0 325.365 1.302 20 5 EDBDRO C[NH+]1CCC(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000357051649 445396376 /nfs/dbraw/zinc/39/63/76/445396376.db2.gz KMQGNCRKHXATHC-UHFFFAOYSA-N 1 0 343.387 1.852 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H](CO)C3CCOCC3)n2)cc1 ZINC000359871546 445468293 /nfs/dbraw/zinc/46/82/93/445468293.db2.gz IZBWZWCYTWQHEK-CQSZACIVSA-N 1 0 348.359 1.522 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000359984163 445514870 /nfs/dbraw/zinc/51/48/70/445514870.db2.gz KXEHZEAVCLCLIO-ZIAGYGMSSA-N 1 0 339.417 1.570 20 5 EDBDRO C[NH+](C)[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@H]1O ZINC000359952591 445502044 /nfs/dbraw/zinc/50/20/44/445502044.db2.gz NYOYJYLPTKNWHU-LSDHHAIUSA-N 1 0 346.362 1.907 20 5 EDBDRO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCC[C@@H]1O ZINC000352696669 445549425 /nfs/dbraw/zinc/54/94/25/445549425.db2.gz JUUSPOBQUSIYES-PWSUYJOCSA-N 1 0 337.332 1.107 20 5 EDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])cc(F)c1F ZINC000363063169 445665312 /nfs/dbraw/zinc/66/53/12/445665312.db2.gz WDEHETQZBNVLBG-MWLCHTKSSA-N 1 0 341.314 1.466 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000349784739 445677777 /nfs/dbraw/zinc/67/77/77/445677777.db2.gz RLCWEHMLNUSCNO-NSHDSACASA-N 1 0 345.421 1.610 20 5 EDBDRO Cn1cc(C[C@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cn1 ZINC000363134499 445690705 /nfs/dbraw/zinc/69/07/05/445690705.db2.gz HXRJRNJVNYYJBW-GFCCVEGCSA-N 1 0 343.387 1.492 20 5 EDBDRO CN(CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000363269982 445748983 /nfs/dbraw/zinc/74/89/83/445748983.db2.gz QBNRBPQFPSHFHV-UONOGXRCSA-N 1 0 348.403 1.010 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000356443011 445791862 /nfs/dbraw/zinc/79/18/62/445791862.db2.gz FJOKTQYFXBUDJZ-UHFFFAOYSA-N 1 0 333.348 1.521 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000361687657 445877453 /nfs/dbraw/zinc/87/74/53/445877453.db2.gz UAORKSQZSTXOHC-CHWSQXEVSA-N 1 0 348.403 1.749 20 5 EDBDRO [NH3+]Cc1cc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccn1 ZINC000361628790 445856180 /nfs/dbraw/zinc/85/61/80/445856180.db2.gz WUBJOFZJXADRMH-LBPRGKRZSA-N 1 0 342.359 1.170 20 5 EDBDRO Cc1ccc(N2CCO[C@@H](CN3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000372881914 445902833 /nfs/dbraw/zinc/90/28/33/445902833.db2.gz PDOXACZGGVBPBQ-HNNXBMFYSA-N 1 0 334.420 1.356 20 5 EDBDRO Cc1c(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000372889784 445905989 /nfs/dbraw/zinc/90/59/89/445905989.db2.gz IKYUXRCUMMURPO-MFKMUULPSA-N 1 0 334.332 1.635 20 5 EDBDRO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCn2ccnc2C1 ZINC000366007375 445958097 /nfs/dbraw/zinc/95/80/97/445958097.db2.gz QEFCHMKSPSWBBA-LBPRGKRZSA-N 1 0 343.387 1.585 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000361816159 445970150 /nfs/dbraw/zinc/97/01/50/445970150.db2.gz UMBCCGHFJCBASC-UHFFFAOYSA-N 1 0 349.435 1.906 20 5 EDBDRO O=C(CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)Nc1cccnc1 ZINC000361864960 446018352 /nfs/dbraw/zinc/01/83/52/446018352.db2.gz HPHVMFPGGURHGL-UHFFFAOYSA-N 1 0 327.344 1.772 20 5 EDBDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351144173 446000934 /nfs/dbraw/zinc/00/09/34/446000934.db2.gz VQGQBEGCMFMNQW-UHFFFAOYSA-N 1 0 340.355 1.521 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000583559356 326095673 /nfs/dbraw/zinc/09/56/73/326095673.db2.gz HMPHGKJHOTUATF-UHFFFAOYSA-N 1 0 329.360 1.774 20 5 EDBDRO C[C@H](O)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000583631172 326108342 /nfs/dbraw/zinc/10/83/42/326108342.db2.gz LROSSFSBVNAJCH-ITDIGPHOSA-N 1 0 338.339 1.003 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000361905196 446054421 /nfs/dbraw/zinc/05/44/21/446054421.db2.gz CVHDAWBSDXNMQZ-SMDDNHRTSA-N 1 0 349.387 1.778 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2cc(F)ccc2F)c1 ZINC000584167673 326212206 /nfs/dbraw/zinc/21/22/06/326212206.db2.gz CWYRQZLTMACKNB-CYBMUJFWSA-N 1 0 326.303 1.263 20 5 EDBDRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351517615 446120832 /nfs/dbraw/zinc/12/08/32/446120832.db2.gz OKHNXRKSPXAWNN-UHFFFAOYSA-N 1 0 340.355 1.521 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCNc1cnccn1)C1CC1 ZINC000361980158 446123630 /nfs/dbraw/zinc/12/36/30/446123630.db2.gz HRLVTCKILMBLLK-OAHLLOKOSA-N 1 0 327.388 2.408 20 5 EDBDRO COc1ccc(NC(=O)[C@@H](C)N2C[C@H]3[C@H](CO)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000366446613 446219480 /nfs/dbraw/zinc/21/94/80/446219480.db2.gz XQOSWGZVFMIAEJ-XEZLXBQYSA-N 1 0 335.360 1.101 20 5 EDBDRO Cc1cc(NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000420248509 446430446 /nfs/dbraw/zinc/43/04/46/446430446.db2.gz WJUWDFHGLDDSOI-NSHDSACASA-N 1 0 333.314 1.546 20 5 EDBDRO C[C@H]([NH3+])C1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000418082781 446434709 /nfs/dbraw/zinc/43/47/09/446434709.db2.gz JZQVYLAGTVLZJO-JTQLQIEISA-N 1 0 346.391 1.740 20 5 EDBDRO [NH3+]C[C@H]1CC[C@H](CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000420259942 446436011 /nfs/dbraw/zinc/43/60/11/446436011.db2.gz NEIXKXMKZLHZGE-PHIMTYICSA-N 1 0 331.376 2.421 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CC[NH2+]C[C@@](C)(F)C2)c1[N+](=O)[O-] ZINC000420257590 446436701 /nfs/dbraw/zinc/43/67/01/446436701.db2.gz FCCKQXPSSSWKJQ-CQSZACIVSA-N 1 0 326.328 1.223 20 5 EDBDRO Cc1cc(N2CCCO[C@H](C[NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420270881 446441167 /nfs/dbraw/zinc/44/11/67/446441167.db2.gz JXFITJHXSZODPC-OAHLLOKOSA-N 1 0 343.387 1.914 20 5 EDBDRO CC(=O)c1cc(N2C[C@H](C[NH3+])C3(C2)CCOCC3)ccc1[N+](=O)[O-] ZINC000420277035 446447077 /nfs/dbraw/zinc/44/70/77/446447077.db2.gz PVSHLQPHSFTZHG-ZDUSSCGKSA-N 1 0 333.388 1.989 20 5 EDBDRO C[C@@H]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420280723 446448549 /nfs/dbraw/zinc/44/85/49/446448549.db2.gz LHKJSFVNXGUWPL-ZBFHGGJFSA-N 1 0 348.447 1.848 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000411286997 446467739 /nfs/dbraw/zinc/46/77/39/446467739.db2.gz YDZOEOFDYWLLSS-CYBMUJFWSA-N 1 0 334.376 1.394 20 5 EDBDRO O=C(CN1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420314903 446479432 /nfs/dbraw/zinc/47/94/32/446479432.db2.gz LPKWSJBPXJXXOZ-WDEREUQCSA-N 1 0 338.795 1.728 20 5 EDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418340117 446507441 /nfs/dbraw/zinc/50/74/41/446507441.db2.gz NHDDUZWVJZJNLE-AWEZNQCLSA-N 1 0 347.419 1.426 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000375022633 446520637 /nfs/dbraw/zinc/52/06/37/446520637.db2.gz SADNCZCLBLFGOG-IUODEOHRSA-N 1 0 349.387 1.535 20 5 EDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000375025537 446524436 /nfs/dbraw/zinc/52/44/36/446524436.db2.gz ZNIPJQRWHXLTAX-XJKCOSOUSA-N 1 0 332.404 1.948 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)ccc1[N+](=O)[O-] ZINC000420441304 446616841 /nfs/dbraw/zinc/61/68/41/446616841.db2.gz IEQIXAINTWDOOL-NSHDSACASA-N 1 0 335.332 1.179 20 5 EDBDRO COc1cc(S(=O)(=O)N2CC[C@H](C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000420417589 446591439 /nfs/dbraw/zinc/59/14/39/446591439.db2.gz FKLHLOFUYSBFED-QWRGUYRKSA-N 1 0 343.405 1.351 20 5 EDBDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420418001 446591604 /nfs/dbraw/zinc/59/16/04/446591604.db2.gz FUAJEWLTYFWAHU-AWEZNQCLSA-N 1 0 327.406 1.136 20 5 EDBDRO C[NH2+]CC1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420418925 446592378 /nfs/dbraw/zinc/59/23/78/446592378.db2.gz MEDIAUZHYTVFIQ-UHFFFAOYSA-N 1 0 341.433 1.399 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418556262 446593879 /nfs/dbraw/zinc/59/38/79/446593879.db2.gz FCPIIBZWVQMNQI-SMDDNHRTSA-N 1 0 334.376 1.497 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418570960 446599301 /nfs/dbraw/zinc/59/93/01/446599301.db2.gz JFVHQNZAASSITG-CZUORRHYSA-N 1 0 347.419 1.424 20 5 EDBDRO CCC([NH3+])(CC)CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420458036 446636594 /nfs/dbraw/zinc/63/65/94/446636594.db2.gz PPIFIHOINCRKDQ-UHFFFAOYSA-N 1 0 329.422 1.574 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000375239609 446663874 /nfs/dbraw/zinc/66/38/74/446663874.db2.gz NOOJYIXNMADGEL-WMLDXEAASA-N 1 0 344.415 1.510 20 5 EDBDRO COCC[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411745905 446667258 /nfs/dbraw/zinc/66/72/58/446667258.db2.gz RINJWNYWZDYGKC-OAHLLOKOSA-N 1 0 337.376 1.661 20 5 EDBDRO C[C@H](NC(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000418786976 446702659 /nfs/dbraw/zinc/70/26/59/446702659.db2.gz TWGJLHCKKIHDNY-WDMOLILDSA-N 1 0 334.376 1.029 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000619253776 450435607 /nfs/dbraw/zinc/43/56/07/450435607.db2.gz FSKRMFDYKBXRFY-INIZCTEOSA-N 1 0 337.376 1.132 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@H]([NH+](C)C)C2)c1F ZINC000411981624 446772871 /nfs/dbraw/zinc/77/28/71/446772871.db2.gz IZKRGVSRZSGHED-JTQLQIEISA-N 1 0 325.340 1.448 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)c1F ZINC000412238569 446908187 /nfs/dbraw/zinc/90/81/87/446908187.db2.gz AOOPSHMEDKXTTL-PWSUYJOCSA-N 1 0 339.367 1.884 20 5 EDBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000442579667 446908301 /nfs/dbraw/zinc/90/83/01/446908301.db2.gz DQZRKTMVSGZICE-CQSZACIVSA-N 1 0 348.403 1.770 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC2([NH+](C)C)CCC2)c1F ZINC000412264568 446914741 /nfs/dbraw/zinc/91/47/41/446914741.db2.gz BEPGAVKNJOACHF-UHFFFAOYSA-N 1 0 339.367 1.886 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000377197136 446985030 /nfs/dbraw/zinc/98/50/30/446985030.db2.gz PGZVXZYYMBHOJW-XHSDSOJGSA-N 1 0 336.388 1.965 20 5 EDBDRO COc1cc(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)ccc1[N+](=O)[O-] ZINC000375723200 447002368 /nfs/dbraw/zinc/00/23/68/447002368.db2.gz DFKJYCAEWXMNLC-JGPRNRPPSA-N 1 0 341.389 1.246 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000375792919 447054261 /nfs/dbraw/zinc/05/42/61/447054261.db2.gz MMENYCIBIYHBAJ-HZPDHXFCSA-N 1 0 349.387 1.031 20 5 EDBDRO CC(C)OC(=O)C[C@@H](NC(=O)[C@H]1CC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000444156031 447082162 /nfs/dbraw/zinc/08/21/62/447082162.db2.gz AJZXBBIRTUHVPR-CHWSQXEVSA-N 1 0 335.360 1.456 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCCC2(CC[NH2+]CC2)C1 ZINC000368823381 447135693 /nfs/dbraw/zinc/13/56/93/447135693.db2.gz IGXDBPWDSIRTJW-UHFFFAOYSA-N 1 0 333.388 1.966 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000375946511 447167659 /nfs/dbraw/zinc/16/76/59/447167659.db2.gz JIRGIQWTROUXAH-CQSZACIVSA-N 1 0 348.403 1.784 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000368815378 447128664 /nfs/dbraw/zinc/12/86/64/447128664.db2.gz CCJIPFXPOAMSDU-HNNXBMFYSA-N 1 0 348.403 1.248 20 5 EDBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000619267286 450438852 /nfs/dbraw/zinc/43/88/52/450438852.db2.gz WWUJXELFFGAVHK-CQSZACIVSA-N 1 0 338.408 1.438 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(NCC[N@@H+]3CCCOCC3)n2)cc1 ZINC000445664825 447187666 /nfs/dbraw/zinc/18/76/66/447187666.db2.gz NDWZARVIJZOVBM-UHFFFAOYSA-N 1 0 333.348 1.779 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000413450037 447188300 /nfs/dbraw/zinc/18/83/00/447188300.db2.gz XXGOINXETUKBRA-NSHDSACASA-N 1 0 342.421 1.386 20 5 EDBDRO COc1cc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c([N+](=O)[O-])cc1F ZINC000368966605 447231293 /nfs/dbraw/zinc/23/12/93/447231293.db2.gz PPPCUPYZLIXGLM-CCUNJIBTSA-N 1 0 337.351 1.828 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000368972837 447236824 /nfs/dbraw/zinc/23/68/24/447236824.db2.gz HYNYCERLFPPNKD-OKFGHLOFSA-N 1 0 347.415 1.913 20 5 EDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000372770818 447278819 /nfs/dbraw/zinc/27/88/19/447278819.db2.gz VGWQPFRYQGBEMP-YOGCLGLASA-N 1 0 334.332 1.987 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000415462789 447453166 /nfs/dbraw/zinc/45/31/66/447453166.db2.gz PXPXYNWGSRWVLZ-NEPJUHHUSA-N 1 0 334.376 1.394 20 5 EDBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000456902515 447481551 /nfs/dbraw/zinc/48/15/51/447481551.db2.gz PNUCIZIEHRLOKE-UHFFFAOYSA-N 1 0 337.424 1.079 20 5 EDBDRO COC(=O)Cc1ccc(NC[C@](C)(O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000450410001 447482688 /nfs/dbraw/zinc/48/26/88/447482688.db2.gz VFHGQJWLRLUALX-HNNXBMFYSA-N 1 0 325.365 1.035 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000415544630 447507464 /nfs/dbraw/zinc/50/74/64/447507464.db2.gz UOUXHDLPMRMLNV-WDEREUQCSA-N 1 0 334.376 1.291 20 5 EDBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@@H](CO)C[NH+]1CCCCC1 ZINC000450519711 447514086 /nfs/dbraw/zinc/51/40/86/447514086.db2.gz NDKVXAGINJOQSV-CQSZACIVSA-N 1 0 330.388 2.402 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000426976703 447523624 /nfs/dbraw/zinc/52/36/24/447523624.db2.gz YLDCZYXZJNUXNR-OLZOCXBDSA-N 1 0 338.412 1.306 20 5 EDBDRO CNC(=O)c1ccc(NC[C@@H]2CCC[N@@H+]2CCCO)c([N+](=O)[O-])c1 ZINC000450590207 447532123 /nfs/dbraw/zinc/53/21/23/447532123.db2.gz DCNSMHPEXNLMHS-ZDUSSCGKSA-N 1 0 336.392 1.213 20 5 EDBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000420021742 447551303 /nfs/dbraw/zinc/55/13/03/447551303.db2.gz UZFVHHCFJOWUQD-MRXNPFEDSA-N 1 0 334.376 1.509 20 5 EDBDRO Cc1cc(N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000420147433 447637558 /nfs/dbraw/zinc/63/75/58/447637558.db2.gz CQHAMYYUPBZPDN-AWEZNQCLSA-N 1 0 332.404 1.551 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000416498440 447626172 /nfs/dbraw/zinc/62/61/72/447626172.db2.gz XHKZAFFNAOUUGJ-LBPRGKRZSA-N 1 0 327.406 1.442 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000416498876 447626247 /nfs/dbraw/zinc/62/62/47/447626247.db2.gz YXWIKMZGNSRORF-LLVKDONJSA-N 1 0 327.406 1.387 20 5 EDBDRO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC[C@H]1CCC[NH2+]C1 ZINC000420191212 447663496 /nfs/dbraw/zinc/66/34/96/447663496.db2.gz HLAOIAHULPATDM-SNVBAGLBSA-N 1 0 328.394 1.044 20 5 EDBDRO COCC[NH2+]CCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000420220474 447676232 /nfs/dbraw/zinc/67/62/32/447676232.db2.gz UUTUDZGBTNWSPB-UHFFFAOYSA-N 1 0 334.351 2.444 20 5 EDBDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC(N)=O ZINC000429159018 447732273 /nfs/dbraw/zinc/73/22/73/447732273.db2.gz LKCITQLHZUKZBM-UHFFFAOYSA-N 1 0 338.364 1.129 20 5 EDBDRO Cc1cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)ccc1OCC[NH+](C)C ZINC000458195918 447742365 /nfs/dbraw/zinc/74/23/65/447742365.db2.gz MILBUQPWNISESP-UHFFFAOYSA-N 1 0 347.375 1.679 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(CO)CCSCC1 ZINC000459722168 447752717 /nfs/dbraw/zinc/75/27/17/447752717.db2.gz ZPGGCRDAENPLKM-UHFFFAOYSA-N 1 0 339.417 1.689 20 5 EDBDRO CC1(C)CCC[N@@H+]1CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000452079712 447812738 /nfs/dbraw/zinc/81/27/38/447812738.db2.gz ASLGAMXTLXDTSM-UHFFFAOYSA-N 1 0 341.433 1.889 20 5 EDBDRO C[C@@](CN)([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000430542714 447775110 /nfs/dbraw/zinc/77/51/10/447775110.db2.gz DAZMTBPEBKZUGG-INIZCTEOSA-N 1 0 334.376 1.610 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(NC[C@@H](O)C[NH+]3CCCCC3)n2)cc1 ZINC000486967683 447826779 /nfs/dbraw/zinc/82/67/79/447826779.db2.gz NAKQJKWSASHEQK-CQSZACIVSA-N 1 0 347.375 1.904 20 5 EDBDRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575815230 447905831 /nfs/dbraw/zinc/90/58/31/447905831.db2.gz DZTLRRKWCRIVQJ-ZBFHGGJFSA-N 1 0 332.404 1.512 20 5 EDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCCCC[NH+]1CCOCC1 ZINC000491167033 447946561 /nfs/dbraw/zinc/94/65/61/447946561.db2.gz HSYBETCMIDSHNN-SREVYHEPSA-N 1 0 333.388 1.837 20 5 EDBDRO COC(=O)c1cc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000524775469 447951814 /nfs/dbraw/zinc/95/18/14/447951814.db2.gz YENVPTUUUMJVCT-NSHDSACASA-N 1 0 335.360 1.453 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000524790940 447955496 /nfs/dbraw/zinc/95/54/96/447955496.db2.gz XSNSPGDJLRNFGN-LLVKDONJSA-N 1 0 327.406 1.523 20 5 EDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000553691752 447999457 /nfs/dbraw/zinc/99/94/57/447999457.db2.gz BOSVIACHYBZZPK-NSHDSACASA-N 1 0 335.360 1.928 20 5 EDBDRO C[C@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000525086519 447967685 /nfs/dbraw/zinc/96/76/85/447967685.db2.gz AIFIHLVLJVJYNO-VXGBXAGGSA-N 1 0 342.421 1.389 20 5 EDBDRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000554685320 448049113 /nfs/dbraw/zinc/04/91/13/448049113.db2.gz IEFKGYAELZNKBX-QGZVFWFLSA-N 1 0 344.371 1.263 20 5 EDBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000531288572 448054179 /nfs/dbraw/zinc/05/41/79/448054179.db2.gz JBTQZVRQGSQVJI-KBPBESRZSA-N 1 0 347.419 1.511 20 5 EDBDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cn3C)C2)CC1 ZINC000532089099 448199520 /nfs/dbraw/zinc/19/95/20/448199520.db2.gz ZBTMLIJDDFGMJN-AWEZNQCLSA-N 1 0 349.435 1.174 20 5 EDBDRO CNc1nccc(C(=O)Nc2ccc(C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000515081226 448257551 /nfs/dbraw/zinc/25/75/51/448257551.db2.gz ZBRDAADAKZRTJG-UHFFFAOYSA-N 1 0 329.360 2.345 20 5 EDBDRO C[NH+]1CCC(CNc2cccnc2[N+](=O)[O-])(N2CCOCC2)CC1 ZINC000591186671 448282647 /nfs/dbraw/zinc/28/26/47/448282647.db2.gz YORJPYDCASURIA-UHFFFAOYSA-N 1 0 335.408 1.198 20 5 EDBDRO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000577389018 448285313 /nfs/dbraw/zinc/28/53/13/448285313.db2.gz UKKRMNDVFZMWGX-CZUORRHYSA-N 1 0 346.431 1.759 20 5 EDBDRO C[C@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000516290742 448409067 /nfs/dbraw/zinc/40/90/67/448409067.db2.gz UTWKUFGHTQAKHI-GWCFXTLKSA-N 1 0 328.394 1.176 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000578235465 448495598 /nfs/dbraw/zinc/49/55/98/448495598.db2.gz FTWNVLQORCDGFK-QGZVFWFLSA-N 1 0 347.371 1.582 20 5 EDBDRO COC[C@](C)(O)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000573199721 448566385 /nfs/dbraw/zinc/56/63/85/448566385.db2.gz BPTFGOFPLNKZCL-OAHLLOKOSA-N 1 0 325.365 1.301 20 5 EDBDRO COc1cc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)ccc1O ZINC000578523205 448569572 /nfs/dbraw/zinc/56/95/72/448569572.db2.gz QOMDUPUZTHCHAV-AWEZNQCLSA-N 1 0 348.355 1.839 20 5 EDBDRO CC(C)[C@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC[N@@H+]1C ZINC000567100341 448612146 /nfs/dbraw/zinc/61/21/46/448612146.db2.gz WCUDASXPXLPAMC-CYBMUJFWSA-N 1 0 342.421 1.019 20 5 EDBDRO COc1cc(CCNC(=O)CC2([NH3+])CCC2)c([N+](=O)[O-])cc1OC ZINC000591940517 448592882 /nfs/dbraw/zinc/59/28/82/448592882.db2.gz VILXEJQHBCFTIS-UHFFFAOYSA-N 1 0 337.376 1.542 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000573606231 448670082 /nfs/dbraw/zinc/67/00/82/448670082.db2.gz KGGJJWLGGGDVIW-SECBINFHSA-N 1 0 347.368 1.102 20 5 EDBDRO Cc1ccc(OC[C@@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000578998563 448690310 /nfs/dbraw/zinc/69/03/10/448690310.db2.gz XOVYLTDIUCWOQD-HNNXBMFYSA-N 1 0 334.376 1.438 20 5 EDBDRO [NH3+][C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000573802000 448717396 /nfs/dbraw/zinc/71/73/96/448717396.db2.gz XHATUTYARMPBRQ-QWHCGFSZSA-N 1 0 348.384 1.105 20 5 EDBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000592246949 448761861 /nfs/dbraw/zinc/76/18/61/448761861.db2.gz MZABNXLSIZFKFE-OCCSQVGLSA-N 1 0 341.371 1.605 20 5 EDBDRO COCC[N@H+](C)C[C@@H](O)Cn1ccnc1-c1ccc([N+](=O)[O-])cc1 ZINC000567752617 448752570 /nfs/dbraw/zinc/75/25/70/448752570.db2.gz QGSHTAVFHJVCKQ-OAHLLOKOSA-N 1 0 334.376 1.397 20 5 EDBDRO CC1=CC[N@H+](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000545882261 448804036 /nfs/dbraw/zinc/80/40/36/448804036.db2.gz YXPDPHYISRFYCM-UHFFFAOYSA-N 1 0 333.344 1.705 20 5 EDBDRO C[NH+](C)CCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000586776218 448809251 /nfs/dbraw/zinc/80/92/51/448809251.db2.gz HPDLPLNTZMILRN-UHFFFAOYSA-N 1 0 333.348 1.901 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C[NH3+])CC(C)C ZINC000592369391 448809296 /nfs/dbraw/zinc/80/92/96/448809296.db2.gz XSBNNSXDEBQJOH-SNVBAGLBSA-N 1 0 331.394 1.255 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000592379980 448812542 /nfs/dbraw/zinc/81/25/42/448812542.db2.gz GJCZQSABVLIKTI-VHSXEESVSA-N 1 0 329.378 1.152 20 5 EDBDRO C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCC[NH2+]C1 ZINC000574191433 448814889 /nfs/dbraw/zinc/81/48/89/448814889.db2.gz GFTPGVKDUCHHQC-MRXNPFEDSA-N 1 0 335.360 1.486 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000568108753 448818084 /nfs/dbraw/zinc/81/80/84/448818084.db2.gz LTDPGVUBPNPFDN-TXEJJXNPSA-N 1 0 337.376 1.521 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(CO)cc2)c1 ZINC000592430651 448832649 /nfs/dbraw/zinc/83/26/49/448832649.db2.gz YHGVTYRGJDOFJL-MRXNPFEDSA-N 1 0 332.356 1.617 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000574288510 448837959 /nfs/dbraw/zinc/83/79/59/448837959.db2.gz OFMLARADHISNGA-PWSUYJOCSA-N 1 0 327.406 1.658 20 5 EDBDRO CN(C(=O)CN(C1CC1)C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000592471342 448851558 /nfs/dbraw/zinc/85/15/58/448851558.db2.gz XBVJSYGKITZMGH-UHFFFAOYSA-N 1 0 332.404 1.774 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000592486917 448858351 /nfs/dbraw/zinc/85/83/51/448858351.db2.gz OSXQTRUUYYULNX-RYUDHWBXSA-N 1 0 327.356 1.614 20 5 EDBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000592556319 448899091 /nfs/dbraw/zinc/89/90/91/448899091.db2.gz UBRNGQQORGRCHQ-GFCCVEGCSA-N 1 0 341.751 1.225 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000588819133 448935201 /nfs/dbraw/zinc/93/52/01/448935201.db2.gz TWUJFRUIESFJCI-AWEZNQCLSA-N 1 0 336.440 1.336 20 5 EDBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000548082614 448979823 /nfs/dbraw/zinc/97/98/23/448979823.db2.gz XGENFKPXQJSUMU-UHFFFAOYSA-N 1 0 339.421 1.409 20 5 EDBDRO C[C@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000592872338 449029923 /nfs/dbraw/zinc/02/99/23/449029923.db2.gz LVOBZQSKIXBUOC-STQMWFEESA-N 1 0 348.403 1.277 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000589929578 449082907 /nfs/dbraw/zinc/08/29/07/449082907.db2.gz KOTPJCKOPJSQAG-DGCLKSJQSA-N 1 0 325.390 1.228 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000592898933 449042131 /nfs/dbraw/zinc/04/21/31/449042131.db2.gz OAOKPULDYSGCOD-UHFFFAOYSA-N 1 0 349.387 1.540 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000575399457 449088901 /nfs/dbraw/zinc/08/89/01/449088901.db2.gz APACKRFOLXPUCM-MNOVXSKESA-N 1 0 335.360 1.565 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000575401011 449090042 /nfs/dbraw/zinc/09/00/42/449090042.db2.gz CTZMQKKGZHCSMV-HNNXBMFYSA-N 1 0 339.417 1.667 20 5 EDBDRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000548748124 449094578 /nfs/dbraw/zinc/09/45/78/449094578.db2.gz AVHIVDBUHXOHHZ-AWEZNQCLSA-N 1 0 343.387 1.612 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)cccc1[N+](=O)[O-] ZINC000599890358 449101231 /nfs/dbraw/zinc/10/12/31/449101231.db2.gz GUIDWNCVCSXUAS-ZDUSSCGKSA-N 1 0 332.360 1.243 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)NCC2([NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000599920540 449109230 /nfs/dbraw/zinc/10/92/30/449109230.db2.gz LRADROVSHIJMHQ-GFCCVEGCSA-N 1 0 336.392 1.771 20 5 EDBDRO CC(C)C[N@H+](C)CCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000593615342 449109734 /nfs/dbraw/zinc/10/97/34/449109734.db2.gz AQYVBROHZKCCJH-UHFFFAOYSA-N 1 0 343.449 1.992 20 5 EDBDRO CCOc1cc(C(=O)NC2CC([NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000590355666 449136984 /nfs/dbraw/zinc/13/69/84/449136984.db2.gz FPDGUQYJLPEUCY-UHFFFAOYSA-N 1 0 337.376 1.825 20 5 EDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+]1CCCO ZINC000593731193 449165666 /nfs/dbraw/zinc/16/56/66/449165666.db2.gz UHBYTGDRNKTFRQ-AWEZNQCLSA-N 1 0 339.367 1.239 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000590446590 449167629 /nfs/dbraw/zinc/16/76/29/449167629.db2.gz UYKMYEHMMUMJSZ-LRDDRELGSA-N 1 0 341.371 1.557 20 5 EDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]21 ZINC000599988443 449139643 /nfs/dbraw/zinc/13/96/43/449139643.db2.gz DEYMBXJMEXFSFQ-FOLVSLTJSA-N 1 0 341.371 1.413 20 5 EDBDRO Cc1sc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000590400701 449148645 /nfs/dbraw/zinc/14/86/45/449148645.db2.gz YGFIJSAYLOUVND-AAEUAGOBSA-N 1 0 339.417 1.900 20 5 EDBDRO CN(CCC[NH+](C)C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000597989663 449173686 /nfs/dbraw/zinc/17/36/86/449173686.db2.gz HRZFOQDNGMBBNZ-UHFFFAOYSA-N 1 0 342.827 1.862 20 5 EDBDRO COC(=O)[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000595847724 449203271 /nfs/dbraw/zinc/20/32/71/449203271.db2.gz DJHVTEIEQQULJQ-TXEJJXNPSA-N 1 0 335.360 1.807 20 5 EDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000590587876 449203696 /nfs/dbraw/zinc/20/36/96/449203696.db2.gz BPDLSSTXXMHHHF-FZMZJTMJSA-N 1 0 327.406 1.449 20 5 EDBDRO COc1cc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000595862394 449213589 /nfs/dbraw/zinc/21/35/89/449213589.db2.gz BJLOMNHJMKSKSG-HNNXBMFYSA-N 1 0 335.404 1.634 20 5 EDBDRO C[C@@H](CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[NH+](C)C ZINC000598001263 449188043 /nfs/dbraw/zinc/18/80/43/449188043.db2.gz YHOMUTBDBOTSIF-JTQLQIEISA-N 1 0 343.405 1.068 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000590564025 449193662 /nfs/dbraw/zinc/19/36/62/449193662.db2.gz BXUOFNDZJLCSNY-HOTGVXAUSA-N 1 0 333.388 1.838 20 5 EDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000590566697 449194733 /nfs/dbraw/zinc/19/47/33/449194733.db2.gz QKSVJVWSSQAOFV-JSGCOSHPSA-N 1 0 343.387 1.945 20 5 EDBDRO COC(=O)COc1ccc(C[N@H+](C)CC2(C)COC2)cc1[N+](=O)[O-] ZINC000600192164 449235890 /nfs/dbraw/zinc/23/58/90/449235890.db2.gz SVZKCQAFEWJUMD-UHFFFAOYSA-N 1 0 338.360 1.615 20 5 EDBDRO C[C@](O)(C[C@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000601954922 449243018 /nfs/dbraw/zinc/24/30/18/449243018.db2.gz KPFGSGQFRMUEQN-ROUUACIJSA-N 1 0 349.431 1.629 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000590684403 449246381 /nfs/dbraw/zinc/24/63/81/449246381.db2.gz UYYWWNJPCLRMMD-LLVKDONJSA-N 1 0 333.392 1.681 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000595919067 449252830 /nfs/dbraw/zinc/25/28/30/449252830.db2.gz GDWUCQUBFRILGD-SNVBAGLBSA-N 1 0 345.359 1.333 20 5 EDBDRO O=C(c1cccc2c1C[NH2+]C2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595929342 449259634 /nfs/dbraw/zinc/25/96/34/449259634.db2.gz RXIXXRQMLYTVOK-UHFFFAOYSA-N 1 0 341.371 1.872 20 5 EDBDRO Cc1nn(CCC(=O)N(C)CC[NH+]2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000593882465 449259742 /nfs/dbraw/zinc/25/97/42/449259742.db2.gz HYYSBINMYGIFDA-UHFFFAOYSA-N 1 0 337.424 1.743 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC1([NH3+])CCCC1 ZINC000595940836 449267863 /nfs/dbraw/zinc/26/78/63/449267863.db2.gz IQHZLFRNKFBBHI-LLVKDONJSA-N 1 0 338.412 1.215 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)[C@H]2C1 ZINC000590767507 449286830 /nfs/dbraw/zinc/28/68/30/449286830.db2.gz GJVRWCSLSOSRNC-WBMJQRKESA-N 1 0 341.371 1.761 20 5 EDBDRO C[NH2+]C[C@H](C)NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000595984093 449296816 /nfs/dbraw/zinc/29/68/16/449296816.db2.gz UVRBFGOSPGMPGV-JTQLQIEISA-N 1 0 336.348 1.007 20 5 EDBDRO COC1CC[NH+](CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593510450 449317181 /nfs/dbraw/zinc/31/71/81/449317181.db2.gz TVGKKUVRXCPYEB-UHFFFAOYSA-N 1 0 339.367 1.503 20 5 EDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000611514263 449317851 /nfs/dbraw/zinc/31/78/51/449317851.db2.gz CLCANVYIVQXOED-LBPRGKRZSA-N 1 0 335.360 1.928 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)[C@@H]2C1 ZINC000611521638 449319373 /nfs/dbraw/zinc/31/93/73/449319373.db2.gz ONLFYBBETAFGPD-SWLSCSKDSA-N 1 0 333.388 1.892 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000611527805 449322894 /nfs/dbraw/zinc/32/28/94/449322894.db2.gz SEQRBKFNLIZNNQ-CYBMUJFWSA-N 1 0 348.403 1.504 20 5 EDBDRO O=C(N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000595954108 449279691 /nfs/dbraw/zinc/27/96/91/449279691.db2.gz QEJBKTSAYLHRNZ-UHFFFAOYSA-N 1 0 333.392 1.630 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc1C ZINC000590762556 449282228 /nfs/dbraw/zinc/28/22/28/449282228.db2.gz JHFDOBFJTVNUJH-OCCSQVGLSA-N 1 0 339.417 1.536 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC3(CCC3)[C@H]2c2ccncc2)c1 ZINC000596040766 449332907 /nfs/dbraw/zinc/33/29/07/449332907.db2.gz YUQUDLOCRMAKEU-JKSUJKDBSA-N 1 0 343.387 1.774 20 5 EDBDRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(C)(C)C ZINC000593547284 449339444 /nfs/dbraw/zinc/33/94/44/449339444.db2.gz UBGLXSACEHSYRQ-GFCCVEGCSA-N 1 0 344.437 1.635 20 5 EDBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1(C)C ZINC000602174820 449405342 /nfs/dbraw/zinc/40/53/42/449405342.db2.gz VCFWPLBVDGBKQL-ZIAGYGMSSA-N 1 0 335.360 1.782 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000596267880 449446668 /nfs/dbraw/zinc/44/66/68/449446668.db2.gz AWDRFAHCWYISDM-UHFFFAOYSA-N 1 0 337.424 1.811 20 5 EDBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CCO1 ZINC000598539335 449453644 /nfs/dbraw/zinc/45/36/44/449453644.db2.gz HLUHJMPJVMWFAD-LBPRGKRZSA-N 1 0 327.406 1.839 20 5 EDBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CCO1 ZINC000598541830 449455350 /nfs/dbraw/zinc/45/53/50/449455350.db2.gz WDYUZMQXQFBISP-GFCCVEGCSA-N 1 0 336.392 1.360 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598590418 449479694 /nfs/dbraw/zinc/47/96/94/449479694.db2.gz YCZMJFWNTUNHKQ-GFCCVEGCSA-N 1 0 336.396 1.116 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1CNCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000600680966 449488470 /nfs/dbraw/zinc/48/84/70/449488470.db2.gz WDRIERHZHKXDIV-OAHLLOKOSA-N 1 0 346.391 1.409 20 5 EDBDRO C[C@H](NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000598662072 449525273 /nfs/dbraw/zinc/52/52/73/449525273.db2.gz ODTZZZXLVOULBR-NWDGAFQWSA-N 1 0 349.391 1.221 20 5 EDBDRO [NH3+]C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000594451016 449525945 /nfs/dbraw/zinc/52/59/45/449525945.db2.gz BSBWFMYSTZVFSR-NSHDSACASA-N 1 0 332.282 1.789 20 5 EDBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598665461 449527651 /nfs/dbraw/zinc/52/76/51/449527651.db2.gz WWVZEESFFOMTOL-BXUZGUMPSA-N 1 0 349.391 1.350 20 5 EDBDRO CC1(C)CC[C@@H](CO)[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000598650012 449520046 /nfs/dbraw/zinc/52/00/46/449520046.db2.gz WYYNNDMVXAZSKX-UONOGXRCSA-N 1 0 338.404 1.817 20 5 EDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000602427776 449578628 /nfs/dbraw/zinc/57/86/28/449578628.db2.gz BDJYMPJOYOKVFU-LLVKDONJSA-N 1 0 347.350 1.601 20 5 EDBDRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000594514605 449559493 /nfs/dbraw/zinc/55/94/93/449559493.db2.gz JJJYMBHMSIMNAT-LLVKDONJSA-N 1 0 345.359 1.142 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCCC[NH2+]C(C)C)c(C)c1[N+](=O)[O-] ZINC000598716931 449560460 /nfs/dbraw/zinc/56/04/60/449560460.db2.gz WWHGZWRWDDMIPQ-UHFFFAOYSA-N 1 0 329.422 1.878 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC(C[NH3+])CC2)c(C)c1[N+](=O)[O-] ZINC000598716856 449560490 /nfs/dbraw/zinc/56/04/90/449560490.db2.gz UBOMYCHWXPLHQU-UHFFFAOYSA-N 1 0 327.406 1.571 20 5 EDBDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602453572 449598980 /nfs/dbraw/zinc/59/89/80/449598980.db2.gz LXVPUJCUSGDIEZ-DOTOQJQBSA-N 1 0 335.404 1.801 20 5 EDBDRO O=[N+]([O-])c1ccc(NC[C@H]2COCC[NH2+]2)nc1OCc1ccccc1 ZINC000600954125 449613398 /nfs/dbraw/zinc/61/33/98/449613398.db2.gz OVMKMAIGTJTKMU-AWEZNQCLSA-N 1 0 344.371 1.969 20 5 EDBDRO O=c1c(Cl)c(N2C[C@@H]3C[C@H]2C[NH2+]3)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000600960641 449616916 /nfs/dbraw/zinc/61/69/16/449616916.db2.gz CDVLNMUVULUIHE-CABZTGNLSA-N 1 0 347.762 1.345 20 5 EDBDRO C[C@H]([C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)N1CCOCC1 ZINC000602567152 449677767 /nfs/dbraw/zinc/67/77/67/449677767.db2.gz VGFHMRBNFWNXEC-NWDGAFQWSA-N 1 0 334.376 1.935 20 5 EDBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000602497056 449632271 /nfs/dbraw/zinc/63/22/71/449632271.db2.gz HHTFBIAVDQXXJI-DOMZBBRYSA-N 1 0 337.351 1.702 20 5 EDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC([NH+]3CCOCC3)CC2)s1 ZINC000599106081 449737663 /nfs/dbraw/zinc/73/76/63/449737663.db2.gz RGSYQQPAOQHAIN-UHFFFAOYSA-N 1 0 349.416 1.901 20 5 EDBDRO CCOC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602610666 449703596 /nfs/dbraw/zinc/70/35/96/449703596.db2.gz IJQMTCJDOVQIIK-OAHLLOKOSA-N 1 0 348.403 1.986 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000594801469 449713086 /nfs/dbraw/zinc/71/30/86/449713086.db2.gz PCMSPCVDQSRMDX-ZDUSSCGKSA-N 1 0 341.433 1.887 20 5 EDBDRO CCN(CC)C(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000601181300 449738552 /nfs/dbraw/zinc/73/85/52/449738552.db2.gz FMADUMIUQGDEGM-UHFFFAOYSA-N 1 0 335.408 1.735 20 5 EDBDRO CCc1ccc(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000594822344 449730631 /nfs/dbraw/zinc/73/06/31/449730631.db2.gz VUGGXFPRLPJRDM-LLVKDONJSA-N 1 0 329.422 1.776 20 5 EDBDRO [NH3+]Cc1cccc2c1N(S(=O)(=O)c1cccnc1[N+](=O)[O-])CCC2 ZINC000599101030 449732178 /nfs/dbraw/zinc/73/21/78/449732178.db2.gz GVDYJADWIPGSMG-UHFFFAOYSA-N 1 0 348.384 1.590 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000599102964 449734410 /nfs/dbraw/zinc/73/44/10/449734410.db2.gz HLSKRHUFCXLTPQ-ZYHUDNBSSA-N 1 0 327.406 1.630 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)c1[N+](=O)[O-] ZINC000599103191 449734543 /nfs/dbraw/zinc/73/45/43/449734543.db2.gz PKYZPRYADLCYMC-LBPRGKRZSA-N 1 0 339.417 1.775 20 5 EDBDRO CN1CC[C@H]([NH+]2CCC(Nc3ccc([N+](=O)[O-])cc3F)CC2)C1=O ZINC000601176440 449734793 /nfs/dbraw/zinc/73/47/93/449734793.db2.gz HYAJWGMODLTXSV-HNNXBMFYSA-N 1 0 336.367 1.841 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599105013 449736822 /nfs/dbraw/zinc/73/68/22/449736822.db2.gz BWAWCOBBPUDFEF-CYBMUJFWSA-N 1 0 325.390 1.466 20 5 EDBDRO C[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617722425 449776100 /nfs/dbraw/zinc/77/61/00/449776100.db2.gz XBKDQLNTCOTCMM-XKQJLSEDSA-N 1 0 347.415 1.756 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H](CO)C2CCC2)cc1[N+](=O)[O-] ZINC000594956229 449819400 /nfs/dbraw/zinc/81/94/00/449819400.db2.gz IOJFPLZTYHAXPN-ZDUSSCGKSA-N 1 0 338.360 1.397 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000601345479 449856278 /nfs/dbraw/zinc/85/62/78/449856278.db2.gz UQQQPQGQQJYVMN-LLVKDONJSA-N 1 0 345.396 1.615 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601352004 449864802 /nfs/dbraw/zinc/86/48/02/449864802.db2.gz RSWVTYRAYXICNV-DZGCQCFKSA-N 1 0 339.417 1.499 20 5 EDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000601421312 449938769 /nfs/dbraw/zinc/93/87/69/449938769.db2.gz DYMRZFIRTXIBDS-GXSJLCMTSA-N 1 0 347.824 1.961 20 5 EDBDRO CC(C)(C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)n1cc([N+](=O)[O-])cn1 ZINC000608900116 449947693 /nfs/dbraw/zinc/94/76/93/449947693.db2.gz IIRIVPNETMMFOU-UHFFFAOYSA-N 1 0 341.331 1.746 20 5 EDBDRO CC[C@@]1(O)CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000602983384 449980253 /nfs/dbraw/zinc/98/02/53/449980253.db2.gz JHDDZLZJJQYTBC-NVXWUHKLSA-N 1 0 333.388 1.937 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601560379 450073776 /nfs/dbraw/zinc/07/37/76/450073776.db2.gz WZIKFHGCQWPDDD-FZMZJTMJSA-N 1 0 347.371 1.580 20 5 EDBDRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000595344838 450058996 /nfs/dbraw/zinc/05/89/96/450058996.db2.gz JNZVVXSUWWFCDP-OAHLLOKOSA-N 1 0 341.433 1.841 20 5 EDBDRO C[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000615494148 450114583 /nfs/dbraw/zinc/11/45/83/450114583.db2.gz BDCXKQYSXBTTOL-CYBMUJFWSA-N 1 0 332.404 1.971 20 5 EDBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)C1 ZINC000597574598 450118588 /nfs/dbraw/zinc/11/85/88/450118588.db2.gz QRXQQUSJZZIXJN-QGZVFWFLSA-N 1 0 346.387 1.605 20 5 EDBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000601672828 450158657 /nfs/dbraw/zinc/15/86/57/450158657.db2.gz BVLRNSUJTAJPEE-GFCCVEGCSA-N 1 0 337.351 1.405 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000601739894 450205179 /nfs/dbraw/zinc/20/51/79/450205179.db2.gz RSWREMHYQNFLEN-UHFFFAOYSA-N 1 0 335.408 1.577 20 5 EDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000597701407 450207577 /nfs/dbraw/zinc/20/75/77/450207577.db2.gz SNQSPCWHMJLGBR-OCCSQVGLSA-N 1 0 343.387 1.945 20 5 EDBDRO C[NH+](C)CCn1cc(NC(=O)NCc2cccc([N+](=O)[O-])c2)cn1 ZINC000610478130 450234834 /nfs/dbraw/zinc/23/48/34/450234834.db2.gz MQURYYYSMLQRRZ-UHFFFAOYSA-N 1 0 332.364 1.675 20 5 EDBDRO CN1CCN(C(=O)C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000618567089 450247349 /nfs/dbraw/zinc/24/73/49/450247349.db2.gz SNTUWJHSKCRMCF-MRXNPFEDSA-N 1 0 332.404 1.336 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CCCC[NH+](C)C ZINC000610519073 450251981 /nfs/dbraw/zinc/25/19/81/450251981.db2.gz DOHPBEITXQBZDF-UHFFFAOYSA-N 1 0 345.421 1.566 20 5 EDBDRO C[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1[NH+]1CCOCC1 ZINC000618585103 450253421 /nfs/dbraw/zinc/25/34/21/450253421.db2.gz WYSOHFZHLCWQTL-XHDPSFHLSA-N 1 0 331.376 1.628 20 5 EDBDRO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000155094611 533837030 /nfs/dbraw/zinc/83/70/30/533837030.db2.gz HOGYXGCWETVBBA-VIFPVBQESA-N 1 0 342.193 1.720 20 5 EDBDRO C[C@H](CCNC(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000182017694 533927950 /nfs/dbraw/zinc/92/79/50/533927950.db2.gz MKEHBYQVRFWRQH-CYBMUJFWSA-N 1 0 338.412 1.355 20 5 EDBDRO [NH3+]C1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000165814687 534565961 /nfs/dbraw/zinc/56/59/61/534565961.db2.gz OSCQEOOCJDZYRH-UHFFFAOYSA-N 1 0 328.166 1.921 20 5 EDBDRO CC(C)(C)[NH2+]CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000153896408 526331163 /nfs/dbraw/zinc/33/11/63/526331163.db2.gz BHJOTNDHKOMKGU-UHFFFAOYSA-N 1 0 331.376 1.898 20 5 EDBDRO CC(C)(C(=O)NCC[NH2+]C1CCCCCC1)n1cc([N+](=O)[O-])cn1 ZINC000159728757 527520421 /nfs/dbraw/zinc/52/04/21/527520421.db2.gz PSVQRYYVGPVBKG-UHFFFAOYSA-N 1 0 337.424 1.955 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000173739404 527803974 /nfs/dbraw/zinc/80/39/74/527803974.db2.gz QUFKUYLUDBKPAR-ZDUSSCGKSA-N 1 0 348.403 1.642 20 5 EDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000173705840 528249833 /nfs/dbraw/zinc/24/98/33/528249833.db2.gz MUWYLWOEGYDPSZ-CQSZACIVSA-N 1 0 334.376 1.476 20 5 EDBDRO CNS(=O)(=O)c1ccc(N[C@H](C[NH3+])C2CCCC2)c([N+](=O)[O-])c1 ZINC000261959513 536320248 /nfs/dbraw/zinc/32/02/48/536320248.db2.gz XKNPPRJDECRIML-CYBMUJFWSA-N 1 0 342.421 1.432 20 5 EDBDRO C[N@H+]1CC=C(CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000271918776 536332772 /nfs/dbraw/zinc/33/27/72/536332772.db2.gz JVDCATMROIUAMM-UHFFFAOYSA-N 1 0 346.387 1.093 20 5 EDBDRO C[N@H+](CCCn1ccnc1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000130390532 536362853 /nfs/dbraw/zinc/36/28/53/536362853.db2.gz XNOQYBPNYZWFTG-UHFFFAOYSA-N 1 0 343.387 1.703 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000237319999 536465325 /nfs/dbraw/zinc/46/53/25/536465325.db2.gz YWRMAIBNCACGPP-LLVKDONJSA-N 1 0 343.405 1.224 20 5 EDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000725899029 578302960 /nfs/dbraw/zinc/30/29/60/578302960.db2.gz ZJEHXBCGVJXYIT-OLZOCXBDSA-N 1 0 344.371 1.669 20 5 EDBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)NC1CC[NH+](CCO)CC1 ZINC000732414341 578710921 /nfs/dbraw/zinc/71/09/21/578710921.db2.gz JZNZCJCLXNATHL-UHFFFAOYSA-N 1 0 342.783 1.826 20 5 EDBDRO O=[N+]([O-])c1nn(CN2CC[NH+](C3CCC3)CC2)cc1Br ZINC000733298459 578758481 /nfs/dbraw/zinc/75/84/81/578758481.db2.gz SRZUTHUHLDMOKL-UHFFFAOYSA-N 1 0 344.213 1.681 20 5 EDBDRO COc1cccc([C@H](O)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000734512518 578819767 /nfs/dbraw/zinc/81/97/67/578819767.db2.gz RKBLHYYXRDXNAS-DLBZAZTESA-N 1 0 332.356 1.960 20 5 EDBDRO O=C(NC1CC1)N[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000760907698 580041145 /nfs/dbraw/zinc/04/11/45/580041145.db2.gz ONBKKWRKCFNVBZ-UKRRQHHQSA-N 1 0 334.376 1.164 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000735221604 578868103 /nfs/dbraw/zinc/86/81/03/578868103.db2.gz RJZGLMTYUJAXJI-HNNXBMFYSA-N 1 0 344.371 1.917 20 5 EDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736265350 578970186 /nfs/dbraw/zinc/97/01/86/578970186.db2.gz IHWSTPAHCGBNHN-GHMZBOCLSA-N 1 0 346.395 1.702 20 5 EDBDRO CC[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000754224685 579898802 /nfs/dbraw/zinc/89/88/02/579898802.db2.gz NGMNZAKZSMVVIH-NSHDSACASA-N 1 0 325.340 1.665 20 5 EDBDRO C[C@@H]1CN(CCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000776277533 580413791 /nfs/dbraw/zinc/41/37/91/580413791.db2.gz QGURXYSYIKQRKL-VBQJREDUSA-N 1 0 337.420 1.717 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2(CO)Cc3ccccc3C2)cc1 ZINC000776582803 580422193 /nfs/dbraw/zinc/42/21/93/580422193.db2.gz CAZYBCQCMYFYDE-KRWDZBQOSA-N 1 0 328.368 1.748 20 5 EDBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781951650 580561151 /nfs/dbraw/zinc/56/11/51/580561151.db2.gz ZQUVLLRXKIRXNC-ZBEGNZNMSA-N 1 0 344.371 1.441 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000787907534 580708930 /nfs/dbraw/zinc/70/89/30/580708930.db2.gz PYYJAGLRMPVGNX-WQVCFCJDSA-N 1 0 346.387 1.687 20 5 EDBDRO O=C1C[C@@]2(CC[N@@H+](Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)C2)CN1 ZINC000788382848 580720255 /nfs/dbraw/zinc/72/02/55/580720255.db2.gz HJMLEHAPWIXVOM-KRWDZBQOSA-N 1 0 341.371 1.628 20 5 EDBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000788602084 580725530 /nfs/dbraw/zinc/72/55/30/580725530.db2.gz NOAANLISJNIJTR-AWEZNQCLSA-N 1 0 329.784 1.681 20 5 EDBDRO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000791572366 580795748 /nfs/dbraw/zinc/79/57/48/580795748.db2.gz DRNXUFFCVAVMJA-ZIAGYGMSSA-N 1 0 332.404 1.726 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000791908249 580804919 /nfs/dbraw/zinc/80/49/19/580804919.db2.gz IYBFIPJJOUYITG-GFCCVEGCSA-N 1 0 333.392 1.791 20 5 EDBDRO C[N@@H+]1CC[C@@]2(CCN(Cn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)C1 ZINC000793769324 580855364 /nfs/dbraw/zinc/85/53/64/580855364.db2.gz UCZNIPGGJZMIPT-MRXNPFEDSA-N 1 0 332.360 1.488 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)[C@@H]2C1 ZINC000794929993 580908430 /nfs/dbraw/zinc/90/84/30/580908430.db2.gz QMCXNUGINRQGBA-IAQYHMDHSA-N 1 0 336.367 1.698 20 5 EDBDRO C[N@@H+]1CC[C@](O)(CNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C1 ZINC000893187141 590701573 /nfs/dbraw/zinc/70/15/73/590701573.db2.gz LPZHVXDJHPLEPS-HNNXBMFYSA-N 1 0 336.779 1.697 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000892211684 590865480 /nfs/dbraw/zinc/86/54/80/590865480.db2.gz LBDYLTZEXRWARW-TZMCWYRMSA-N 1 0 334.376 1.449 20 5 EDBDRO COCCN1CCC[C@@H]1C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892866572 591208032 /nfs/dbraw/zinc/20/80/32/591208032.db2.gz RUOGPPTYCJHLAJ-CYBMUJFWSA-N 1 0 339.392 1.509 20 5 EDBDRO C[N@@H+]1CC[C@H]1CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000895771865 591270407 /nfs/dbraw/zinc/27/04/07/591270407.db2.gz RLNLWZABTSLUAY-ZDUSSCGKSA-N 1 0 334.376 1.183 20 5 EDBDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000841209567 591340375 /nfs/dbraw/zinc/34/03/75/591340375.db2.gz NVQSILNJCMWYIS-BDAKNGLRSA-N 1 0 340.767 1.396 20 5 EDBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC([NH+]2CCCC2)C1 ZINC000898613301 591439784 /nfs/dbraw/zinc/43/97/84/591439784.db2.gz ATYXBOPTYIXLIW-UHFFFAOYSA-N 1 0 341.371 1.701 20 5 EDBDRO C[C@H](C[NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000897466217 591467450 /nfs/dbraw/zinc/46/74/50/591467450.db2.gz PWBKEIIEHOSPIE-GFCCVEGCSA-N 1 0 341.433 1.712 20 5 EDBDRO C[C@H](C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000896541015 591504704 /nfs/dbraw/zinc/50/47/04/591504704.db2.gz BZJQMUFHUCFWGA-HEHGZKQESA-N 1 0 334.420 1.449 20 5 EDBDRO C[NH+](C)CC[C@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000895324550 591714165 /nfs/dbraw/zinc/71/41/65/591714165.db2.gz IOBIAHJXRGEZEP-LBPRGKRZSA-N 1 0 341.433 1.776 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O ZINC000897045126 591720197 /nfs/dbraw/zinc/72/01/97/591720197.db2.gz FHXBKYWYMRRSQG-CQSZACIVSA-N 1 0 347.415 1.675 20 5 EDBDRO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000897139272 591752197 /nfs/dbraw/zinc/75/21/97/591752197.db2.gz JVYIBSZEXNYLNC-MRXNPFEDSA-N 1 0 345.399 1.807 20 5 EDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)s1 ZINC000897220563 591774065 /nfs/dbraw/zinc/77/40/65/591774065.db2.gz XNQUBUDSFDOGCX-VXGBXAGGSA-N 1 0 349.416 1.635 20 5 EDBDRO CC(=O)c1cc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897220962 591774957 /nfs/dbraw/zinc/77/49/57/591774957.db2.gz FHCPISIAWCTDPP-IRXDYDNUSA-N 1 0 333.388 1.833 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@H]4[C@@H]3CCC[N@H+]4CCO)nc2c1 ZINC000897220642 591775492 /nfs/dbraw/zinc/77/54/92/591775492.db2.gz CRQCWSOTOMQSLS-GJZGRUSLSA-N 1 0 331.376 1.507 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000897222536 591777317 /nfs/dbraw/zinc/77/73/17/591777317.db2.gz VOKKBXRMNWUTDL-ZIAGYGMSSA-N 1 0 349.387 1.417 20 5 EDBDRO C/C(=C/C(=O)NCCNc1ccccc1[N+](=O)[O-])CN1CCOCC1 ZINC000899986415 591855639 /nfs/dbraw/zinc/85/56/39/591855639.db2.gz CJNOMTJMVJHAPC-OWBHPGMISA-N 1 0 348.403 1.401 20 5 EDBDRO O=c1c(Br)cc([N+](=O)[O-])cn1C[C@H]1CCCC[NH2+]C1 ZINC000899630908 591879767 /nfs/dbraw/zinc/87/97/67/591879767.db2.gz VXVMKMHCWMLYTE-VIFPVBQESA-N 1 0 330.182 1.909 20 5 EDBDRO C[C@H]1[C@H](NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)CC[N@@H+]1C ZINC000900666527 592085330 /nfs/dbraw/zinc/08/53/30/592085330.db2.gz NKJYJXDQSUXCNI-BLLLJJGKSA-N 1 0 343.387 1.662 20 5 EDBDRO C/C(=C/C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000900801365 592142495 /nfs/dbraw/zinc/14/24/95/592142495.db2.gz CSEYHKUDHAARIO-LIQNAMIISA-N 1 0 346.431 1.749 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)c(C)c1[N+](=O)[O-] ZINC000903591167 592235092 /nfs/dbraw/zinc/23/50/92/592235092.db2.gz BQAQVTIDPQUPLY-OAHLLOKOSA-N 1 0 339.417 1.728 20 5 EDBDRO [NH3+][C@@H](CC(F)F)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000903908164 592373615 /nfs/dbraw/zinc/37/36/15/592373615.db2.gz FBMXQVLAQMYFNL-LBPRGKRZSA-N 1 0 342.346 1.335 20 5 EDBDRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000908594181 592547686 /nfs/dbraw/zinc/54/76/86/592547686.db2.gz RETVTSZRRBIPJD-UHFFFAOYSA-N 1 0 339.367 1.699 20 5 EDBDRO C[C@H](C[NH2+]C[C@@H](O)COC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000905644900 592603636 /nfs/dbraw/zinc/60/36/36/592603636.db2.gz TWMQWXLREIJKGF-ZIAGYGMSSA-N 1 0 338.404 1.844 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@]23C[C@H]2COC32CCC2)c1 ZINC000905686797 592612936 /nfs/dbraw/zinc/61/29/36/592612936.db2.gz MOMNGLMDUMWPCO-YSVLISHTSA-N 1 0 348.399 1.883 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@]23C[C@H]2COC32CCC2)c1 ZINC000905686795 592613235 /nfs/dbraw/zinc/61/32/35/592613235.db2.gz MOMNGLMDUMWPCO-JLJPHGGASA-N 1 0 348.399 1.883 20 5 EDBDRO CCc1nn(C)c(N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000905702986 592615788 /nfs/dbraw/zinc/61/57/88/592615788.db2.gz IKLWOMRSHOFXML-OKILXGFUSA-N 1 0 348.451 1.296 20 5 EDBDRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000905694210 592624924 /nfs/dbraw/zinc/62/49/24/592624924.db2.gz FIFWFPOIIKDCFA-WMFXKJRFSA-N 1 0 339.779 1.965 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H](C)C1 ZINC000910295728 592833339 /nfs/dbraw/zinc/83/33/39/592833339.db2.gz WTPOBPRYCDBNCF-NSHDSACASA-N 1 0 335.360 1.880 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000838142808 593133686 /nfs/dbraw/zinc/13/36/86/593133686.db2.gz BMKHSHIDFSQMKE-ZDUSSCGKSA-N 1 0 349.387 1.634 20 5 EDBDRO CC[C@H]1C[N@H+](C)CCN1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000840093029 593167939 /nfs/dbraw/zinc/16/79/39/593167939.db2.gz FXIHEQRBNRUVEW-NSHDSACASA-N 1 0 332.360 1.174 20 5 EDBDRO CS[C@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000867020292 593182529 /nfs/dbraw/zinc/18/25/29/593182529.db2.gz GXNGCKDQOWXMSP-OLZOCXBDSA-N 1 0 341.408 1.780 20 5 EDBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000808783000 593287954 /nfs/dbraw/zinc/28/79/54/593287954.db2.gz HSGXROROEOARFD-DKIMLUQUSA-N 1 0 347.415 1.865 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](N(C)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000840151616 593301736 /nfs/dbraw/zinc/30/17/36/593301736.db2.gz IFDQUZGJZDAIGM-LBPRGKRZSA-N 1 0 346.387 1.563 20 5 EDBDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccc(OC)c1 ZINC000839482355 593305780 /nfs/dbraw/zinc/30/57/80/593305780.db2.gz ZWBZJPZXXJFNDW-OAGGEKHMSA-N 1 0 335.404 1.860 20 5 EDBDRO Cc1nn(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000840175311 593338179 /nfs/dbraw/zinc/33/81/79/593338179.db2.gz SPXLBADIBJWQTF-LLVKDONJSA-N 1 0 332.364 1.016 20 5 EDBDRO COC(=O)[C@H]1CSCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839677726 593369438 /nfs/dbraw/zinc/36/94/38/593369438.db2.gz VFLLDINGMRROLM-TZMCWYRMSA-N 1 0 340.401 1.466 20 5 EDBDRO CN(C)c1cc(F)c(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000816953697 593563246 /nfs/dbraw/zinc/56/32/46/593563246.db2.gz MFIITCGFQONNMJ-ZUZCIYMTSA-N 1 0 336.367 1.576 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000817490587 593607453 /nfs/dbraw/zinc/60/74/53/593607453.db2.gz HEDIONIZFFBYLQ-MLGOLLRUSA-N 1 0 346.387 1.640 20 5 EDBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCO1 ZINC000818012321 593657133 /nfs/dbraw/zinc/65/71/33/593657133.db2.gz UMTXKWDKRAOPDZ-VIFPVBQESA-N 1 0 331.731 1.034 20 5 EDBDRO Cc1cc(F)cc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000818294133 593690320 /nfs/dbraw/zinc/69/03/20/593690320.db2.gz SPNWVVLOILCRSL-UONOGXRCSA-N 1 0 347.350 1.343 20 5 EDBDRO Cc1nn(CCC(=O)Nc2cccc(OCC[NH3+])c2)c(C)c1[N+](=O)[O-] ZINC000818542152 593704127 /nfs/dbraw/zinc/70/41/27/593704127.db2.gz XVESDXFLNJCZLQ-UHFFFAOYSA-N 1 0 347.375 1.774 20 5 EDBDRO CO[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000819070176 593737350 /nfs/dbraw/zinc/73/73/50/593737350.db2.gz TWPLISWEZIDMPD-CMPLNLGQSA-N 1 0 338.282 1.501 20 5 EDBDRO CN(C)[C@]1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000819131907 593740609 /nfs/dbraw/zinc/74/06/09/593740609.db2.gz RNIANAXTIQJVOB-GJZGRUSLSA-N 1 0 325.434 1.655 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2cn3c(n2)SCC3)c1 ZINC000819234327 593745866 /nfs/dbraw/zinc/74/58/66/593745866.db2.gz XDGLEIMUFUJIDI-CQSZACIVSA-N 1 0 334.401 1.763 20 5 EDBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840392845 593762610 /nfs/dbraw/zinc/76/26/10/593762610.db2.gz AIUIKBOACFIKCA-RRCSTGOVSA-N 1 0 331.416 1.924 20 5 EDBDRO O=[N+]([O-])c1cnn(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000819897718 593775016 /nfs/dbraw/zinc/77/50/16/593775016.db2.gz UJOKQIJQPPGWSX-DOTOQJQBSA-N 1 0 327.388 1.955 20 5 EDBDRO CC1CC[NH+](CCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000820722845 593872836 /nfs/dbraw/zinc/87/28/36/593872836.db2.gz PWQYCEAYDFWZMJ-UHFFFAOYSA-N 1 0 332.368 1.314 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000822689863 594086210 /nfs/dbraw/zinc/08/62/10/594086210.db2.gz IJBFJAYNMJXJMA-UHFFFAOYSA-N 1 0 348.447 1.967 20 5 EDBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3C[C@H]3C3CC[NH2+]CC3)n2)n1C ZINC000823093989 594152585 /nfs/dbraw/zinc/15/25/85/594152585.db2.gz MALHZZDXVHEWSR-WDEREUQCSA-N 1 0 332.364 1.790 20 5 EDBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCC([NH2+]C2CC2)CC1 ZINC000823629803 594222976 /nfs/dbraw/zinc/22/29/76/594222976.db2.gz HNCMKBNYEJEWPF-UHFFFAOYSA-N 1 0 329.364 1.496 20 5 EDBDRO COCC[N@H+]1[C@H](C)CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000830070589 594330098 /nfs/dbraw/zinc/33/00/98/594330098.db2.gz WQCMXMSUQDTRQV-JKIFEVAISA-N 1 0 337.420 1.669 20 5 EDBDRO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)c1ccccc1[N+](=O)[O-] ZINC000827308505 594659803 /nfs/dbraw/zinc/65/98/03/594659803.db2.gz BRUSKFWEAWWZEP-ZIAGYGMSSA-N 1 0 332.404 1.584 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000827321845 594661072 /nfs/dbraw/zinc/66/10/72/594661072.db2.gz WKNNWQRMANVZHA-KBPBESRZSA-N 1 0 347.371 1.339 20 5 EDBDRO CN1CC[NH+](C2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000827472999 594675644 /nfs/dbraw/zinc/67/56/44/594675644.db2.gz FNTMOEOYTWTMFX-UHFFFAOYSA-N 1 0 332.404 1.447 20 5 EDBDRO CCO[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000831776047 594702007 /nfs/dbraw/zinc/70/20/07/594702007.db2.gz DEGSGPGGRQDMIL-AWEZNQCLSA-N 1 0 325.365 1.057 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000841208787 594868341 /nfs/dbraw/zinc/86/83/41/594868341.db2.gz SWKRIGNMCAKVEH-NXEZZACHSA-N 1 0 338.339 1.177 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCCO1 ZINC000841232134 594873529 /nfs/dbraw/zinc/87/35/29/594873529.db2.gz AZQPOBWZVYANTH-VIFPVBQESA-N 1 0 328.756 1.830 20 5 EDBDRO COc1cc(Cc2noc(C(C)(C)C[NH3+])n2)c([N+](=O)[O-])c(OC)c1 ZINC000843225582 595044035 /nfs/dbraw/zinc/04/40/35/595044035.db2.gz MGYCKCYIWLTDSJ-UHFFFAOYSA-N 1 0 336.348 1.822 20 5 EDBDRO [NH3+][C@H](Cc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000843225350 595044351 /nfs/dbraw/zinc/04/43/51/595044351.db2.gz YSBMGMLDFQUVAI-CYBMUJFWSA-N 1 0 345.359 1.117 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000843324913 595074002 /nfs/dbraw/zinc/07/40/02/595074002.db2.gz QZRQRRFKNJGINN-WDEREUQCSA-N 1 0 336.348 1.929 20 5 EDBDRO Cc1c(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000834314991 595091844 /nfs/dbraw/zinc/09/18/44/595091844.db2.gz SKKWACHRFFCXQW-YGRLFVJLSA-N 1 0 334.332 1.588 20 5 EDBDRO CC(C)C[N@H+](C)CCCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000845957494 595104979 /nfs/dbraw/zinc/10/49/79/595104979.db2.gz PTYSVIZKFXAIST-UHFFFAOYSA-N 1 0 335.451 1.913 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000842479842 595116372 /nfs/dbraw/zinc/11/63/72/595116372.db2.gz FODYXSNFPNDVLF-VHSXEESVSA-N 1 0 347.824 1.962 20 5 EDBDRO C[NH2+]C[C@H](C)c1noc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)n1 ZINC000842577824 595131496 /nfs/dbraw/zinc/13/14/96/595131496.db2.gz RZCXRUZVAAMTRS-VIFPVBQESA-N 1 0 329.320 1.548 20 5 EDBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000834563474 595163099 /nfs/dbraw/zinc/16/30/99/595163099.db2.gz CDLTWHGKQOBZFM-OAHLLOKOSA-N 1 0 341.795 1.777 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1F ZINC000842696401 595172858 /nfs/dbraw/zinc/17/28/58/595172858.db2.gz YNUFQDLBRZFRCF-JTQLQIEISA-N 1 0 331.369 1.402 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000843789962 595186298 /nfs/dbraw/zinc/18/62/98/595186298.db2.gz CVMNZSKRAFMTOC-UHFFFAOYSA-N 1 0 338.408 1.311 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H](C)CCCC[NH3+])cc([N+](=O)[O-])c1F ZINC000842869262 595220208 /nfs/dbraw/zinc/22/02/08/595220208.db2.gz HOPIKGDBXADZNQ-JTQLQIEISA-N 1 0 333.385 1.838 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000842916760 595234150 /nfs/dbraw/zinc/23/41/50/595234150.db2.gz ZZYZLQQQYDAYDB-RKDXNWHRSA-N 1 0 335.813 1.961 20 5 EDBDRO CN(CC[NH+]1CCCCC1)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000846612766 595286033 /nfs/dbraw/zinc/28/60/33/595286033.db2.gz PPAFGACERXUEGI-UHFFFAOYSA-N 1 0 349.387 1.730 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846689127 595302243 /nfs/dbraw/zinc/30/22/43/595302243.db2.gz YOKAXSIPPPMUKS-MQIPJXDCSA-N 1 0 348.403 1.536 20 5 EDBDRO Cc1c(C(=O)NCCC2CC[NH2+]CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000846699512 595303693 /nfs/dbraw/zinc/30/36/93/595303693.db2.gz KOCVRFZDPYBHPK-UHFFFAOYSA-N 1 0 336.348 1.931 20 5 EDBDRO C[N@@H+]1CC[C@H](CCOC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000847828045 595488949 /nfs/dbraw/zinc/48/89/49/595488949.db2.gz KGPLYIHSKOQMJI-LLVKDONJSA-N 1 0 336.344 1.865 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC3CC2(C[NH3+])C3)cc1[N+](=O)[O-] ZINC000850591129 595541488 /nfs/dbraw/zinc/54/14/88/595541488.db2.gz LBJMKPJDJSDLEX-UHFFFAOYSA-N 1 0 345.808 1.668 20 5 EDBDRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000861343437 595950490 /nfs/dbraw/zinc/95/04/90/595950490.db2.gz HZCMSAHPAULXSE-HOCLYGCPSA-N 1 0 338.360 1.626 20 5 EDBDRO CC(C)[C@H]1CN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000856490243 596004852 /nfs/dbraw/zinc/00/48/52/596004852.db2.gz YQIOTVRLFZZVFD-LLVKDONJSA-N 1 0 335.389 1.670 20 5 EDBDRO [NH3+][C@]12CCC[C@@H]1CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000857087984 596155155 /nfs/dbraw/zinc/15/51/55/596155155.db2.gz XOXPZJSEHSRKRL-BMIGLBTASA-N 1 0 338.795 2.000 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c(C)c1[N+](=O)[O-] ZINC000857232514 596193680 /nfs/dbraw/zinc/19/36/80/596193680.db2.gz DHMNFWAPZMOEME-HNNXBMFYSA-N 1 0 339.417 1.728 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000857232116 596193788 /nfs/dbraw/zinc/19/37/88/596193788.db2.gz MBOWNRAYOKKUAO-LBPRGKRZSA-N 1 0 327.406 1.571 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc([N+](=O)[O-])c1F ZINC000857235131 596194306 /nfs/dbraw/zinc/19/43/06/596194306.db2.gz OQYFWBZJNVNRPB-YGRLFVJLSA-N 1 0 343.380 1.544 20 5 EDBDRO O=C(NCc1nc(C2CC[NH2+]CC2)no1)Nc1cccc([N+](=O)[O-])c1 ZINC000857255635 596199264 /nfs/dbraw/zinc/19/92/64/596199264.db2.gz WXIPMCOKVUPJLF-UHFFFAOYSA-N 1 0 346.347 1.767 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](CCN2CCOCC2)CC2CC2)cc1 ZINC000852636431 596215150 /nfs/dbraw/zinc/21/51/50/596215150.db2.gz UNFFONYEILIPCY-SFHVURJKSA-N 1 0 349.431 1.672 20 5 EDBDRO O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)CCC[NH+]1CCCC1 ZINC000866713865 596305736 /nfs/dbraw/zinc/30/57/36/596305736.db2.gz ZOUDGXZCZHDRRK-UHFFFAOYSA-N 1 0 332.353 1.928 20 5 EDBDRO Cn1cc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000862545338 596343999 /nfs/dbraw/zinc/34/39/99/596343999.db2.gz PHRBTQAXLMENNQ-UKRRQHHQSA-N 1 0 342.355 1.600 20 5 EDBDRO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000866804225 596356049 /nfs/dbraw/zinc/35/60/49/596356049.db2.gz RNPGPSHZKRNEMB-UHFFFAOYSA-N 1 0 331.369 1.497 20 5 EDBDRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000870866895 596382822 /nfs/dbraw/zinc/38/28/22/596382822.db2.gz SWPOEEVXMWHWAV-OGHNNQOOSA-N 1 0 330.388 1.371 20 5 EDBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000123460968 596453550 /nfs/dbraw/zinc/45/35/50/596453550.db2.gz MKWVBPFGRSRVJK-UHFFFAOYSA-N 1 0 333.385 1.695 20 5 EDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000865061332 596459229 /nfs/dbraw/zinc/45/92/29/596459229.db2.gz XVKNRKHYYZWAQO-QWHCGFSZSA-N 1 0 337.351 1.256 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000865195520 596510258 /nfs/dbraw/zinc/51/02/58/596510258.db2.gz LRSRKKUSHRDFCO-CYBMUJFWSA-N 1 0 339.367 1.503 20 5 EDBDRO O=[N+]([O-])c1cc(CO)c(NCCC[NH+]2CCC(O)CC2)cc1F ZINC000865453251 596579010 /nfs/dbraw/zinc/57/90/10/596579010.db2.gz CJOPGBAZWJIXJN-UHFFFAOYSA-N 1 0 327.356 1.485 20 5 EDBDRO C[C@@H](CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O)[N@H+](C)C1CC1 ZINC000863504121 596603771 /nfs/dbraw/zinc/60/37/71/596603771.db2.gz ZLOVJQYOBSHYEV-APPDUMDISA-N 1 0 346.387 1.845 20 5 EDBDRO C[C@@H]1C[C@H](N(C)C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000867947056 596629474 /nfs/dbraw/zinc/62/94/74/596629474.db2.gz YAERLDNEXKUQAQ-SUYBPPKGSA-N 1 0 334.420 1.710 20 5 EDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCN(CC3CC3)CC2)cs1 ZINC000119616157 596672966 /nfs/dbraw/zinc/67/29/66/596672966.db2.gz JNNDELNCCLJKIC-UHFFFAOYSA-N 1 0 331.419 1.373 20 5 EDBDRO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051437 596799392 /nfs/dbraw/zinc/79/93/92/596799392.db2.gz ILSZVMLSUSFXEC-QWRGUYRKSA-N 1 0 345.396 1.666 20 5 EDBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCS(=O)(=O)N(C)C ZINC000872073897 596801804 /nfs/dbraw/zinc/80/18/04/596801804.db2.gz WVFDOPIBKVBQJA-JTQLQIEISA-N 1 0 347.462 1.859 20 5 EDBDRO C[C@]12C[NH2+]C[C@H]1CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000872150506 596813355 /nfs/dbraw/zinc/81/33/55/596813355.db2.gz WGRWVPTUGWIKMN-ZUZCIYMTSA-N 1 0 338.795 1.728 20 5 EDBDRO O=C(CC[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)Nc1ccccc1[N+](=O)[O-] ZINC000872219396 596840490 /nfs/dbraw/zinc/84/04/90/596840490.db2.gz FDHGMIRHISEGHH-GYUMKREUSA-N 1 0 331.372 1.936 20 5 EDBDRO CCOC1CC2(C[C@H]2[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000872251655 596854226 /nfs/dbraw/zinc/85/42/26/596854226.db2.gz SIPJZJYCOGNWLM-AMNYIGESSA-N 1 0 336.388 1.882 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(Cn3c(=O)oc4cccc([N+](=O)[O-])c43)CC[C@H]21 ZINC000872724799 597047399 /nfs/dbraw/zinc/04/73/99/597047399.db2.gz XQFKQYPINZLJFL-VXGBXAGGSA-N 1 0 332.360 1.486 20 5 EDBDRO Cc1c(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)cccc1[N+](=O)[O-] ZINC000873141861 597209211 /nfs/dbraw/zinc/20/92/11/597209211.db2.gz LLZUJHXWAVBGGD-GOSISDBHSA-N 1 0 349.431 1.609 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(C(=O)NCCCO)CC1 ZINC000876577736 597247822 /nfs/dbraw/zinc/24/78/22/597247822.db2.gz MENOGPGDXJHJEU-UHFFFAOYSA-N 1 0 349.431 1.922 20 5 EDBDRO C[NH+](C)CC1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000873789061 597390728 /nfs/dbraw/zinc/39/07/28/597390728.db2.gz PJDUKOFNEJIFAI-UHFFFAOYSA-N 1 0 332.404 1.585 20 5 EDBDRO COc1cc(OCC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000877376063 597504484 /nfs/dbraw/zinc/50/44/84/597504484.db2.gz MKBPLRGTMFHINN-MEDUHNTESA-N 1 0 335.360 1.050 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000877606541 597540895 /nfs/dbraw/zinc/54/08/95/597540895.db2.gz DPEABPLGVDJLJQ-AWEZNQCLSA-N 1 0 334.420 1.763 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@@H]21 ZINC000877744425 597552373 /nfs/dbraw/zinc/55/23/73/597552373.db2.gz STTFCSPIXVKYGP-LRDDRELGSA-N 1 0 333.388 1.987 20 5 EDBDRO CC[NH+](CC)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000878062137 597573595 /nfs/dbraw/zinc/57/35/95/597573595.db2.gz FQIRJLWKYLJUNS-UHFFFAOYSA-N 1 0 337.376 1.828 20 5 EDBDRO COc1ccc([C@H]2CN(CCn3ccc([N+](=O)[O-])n3)CC[NH2+]2)cc1 ZINC000879520618 597615247 /nfs/dbraw/zinc/61/52/47/597615247.db2.gz GXKBIJPOEYURMF-OAHLLOKOSA-N 1 0 331.376 1.446 20 5 EDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879576072 597638951 /nfs/dbraw/zinc/63/89/51/597638951.db2.gz PQBIDVXMDMKPDL-DVOMOZLQSA-N 1 0 332.404 1.948 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879576305 597639101 /nfs/dbraw/zinc/63/91/01/597639101.db2.gz UQBZPEPLVMKHBF-CZUORRHYSA-N 1 0 332.404 1.949 20 5 EDBDRO CN(C(=O)CN1CC[NH2+]CCC12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000883457972 597755774 /nfs/dbraw/zinc/75/57/74/597755774.db2.gz TUAWXJGVMMXANA-UHFFFAOYSA-N 1 0 332.404 1.776 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1 ZINC000880582501 597970301 /nfs/dbraw/zinc/97/03/01/597970301.db2.gz OVIVHZKGXNYSNL-CVEARBPZSA-N 1 0 336.388 1.492 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000880617966 597983281 /nfs/dbraw/zinc/98/32/81/597983281.db2.gz IXOUKVATRUXBRK-TXEJJXNPSA-N 1 0 349.387 1.826 20 5 EDBDRO CN(CC1C[NH+](C)C1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000880684110 597994529 /nfs/dbraw/zinc/99/45/29/597994529.db2.gz ZKQZFUWEKZRVII-UHFFFAOYSA-N 1 0 335.360 1.390 20 5 EDBDRO O=[N+]([O-])c1cnc(N2CC[C@H]([NH+]3CCCCC3)C2)c(-c2nn[nH]n2)c1 ZINC000738369264 598468971 /nfs/dbraw/zinc/46/89/71/598468971.db2.gz JTFSHQJIFBRLJE-NSHDSACASA-N 1 0 344.379 1.235 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(C)CCN(C(=O)C2CCCC2)CC1 ZINC000939904914 700025735 /nfs/dbraw/zinc/02/57/35/700025735.db2.gz LQNONJQDUFFBQP-UHFFFAOYSA-N 1 0 349.435 1.989 20 5 EDBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000916054718 696617260 /nfs/dbraw/zinc/61/72/60/696617260.db2.gz WFFOBNXGNNXKCC-ZDUSSCGKSA-N 1 0 345.403 1.935 20 5 EDBDRO CC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCN(C(=O)c2cn[nH]n2)CC1 ZINC000940196301 700334953 /nfs/dbraw/zinc/33/49/53/700334953.db2.gz KJHGDELGKIQHPT-UHFFFAOYSA-N 1 0 344.375 1.497 20 5 EDBDRO COc1ccc(C)cc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996439550 702769180 /nfs/dbraw/zinc/76/91/80/702769180.db2.gz FKLLLPOMJWQFDX-HZPDHXFCSA-N 1 0 347.415 1.749 20 5 EDBDRO CC(C)(C)n1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC000996430092 702784101 /nfs/dbraw/zinc/78/41/01/702784101.db2.gz ZOYOJMGGEMKDTP-HUUCEWRRSA-N 1 0 349.435 1.384 20 5 EDBDRO O=C(N[C@H]1CC[C@H]([NH2+]CCc2ccns2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034645805 710322025 /nfs/dbraw/zinc/32/20/25/710322025.db2.gz WDXQLJTWCJEEGS-HBJVGIJOSA-N 1 0 338.433 1.368 20 5 EDBDRO O=C(NCc1ccc(C[NH2+]Cc2ccccn2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034815675 711194662 /nfs/dbraw/zinc/19/46/62/711194662.db2.gz APOPZUIDEYLPRJ-IAGOWNOFSA-N 1 0 340.383 1.653 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000050246583 214051667 /nfs/dbraw/zinc/05/16/67/214051667.db2.gz QZMDJGDXQDMCRC-VIFPVBQESA-N 1 0 333.797 1.526 20 5 EDBDRO CC(=O)NC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000050993393 214074971 /nfs/dbraw/zinc/07/49/71/214074971.db2.gz PTRREWFVYJJSIE-UHFFFAOYSA-N 1 0 334.376 1.524 20 5 EDBDRO CC(C)[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[NH+]1CCC(C)CC1 ZINC000052822661 214148981 /nfs/dbraw/zinc/14/89/81/214148981.db2.gz OXNQMHWKIFQNEQ-AWEZNQCLSA-N 1 0 337.424 1.664 20 5 EDBDRO C[C@@H]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000174314173 231174902 /nfs/dbraw/zinc/17/49/02/231174902.db2.gz XWRRXUANDUJIFF-VXGBXAGGSA-N 1 0 327.406 1.651 20 5 EDBDRO C[C@@H]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000174404515 231200285 /nfs/dbraw/zinc/20/02/85/231200285.db2.gz JAPLEHXXJKAWJK-VXGBXAGGSA-N 1 0 327.406 1.651 20 5 EDBDRO CC[C@H]([NH2+]CCOCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000181149475 529604507 /nfs/dbraw/zinc/60/45/07/529604507.db2.gz DSCBMMPLKNXWKV-AWEZNQCLSA-N 1 0 330.406 1.697 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000558690651 306244370 /nfs/dbraw/zinc/24/43/70/306244370.db2.gz ZXDAUBKLTWDYNI-KBPBESRZSA-N 1 0 334.420 1.450 20 5 EDBDRO Nc1c(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000178198993 232105736 /nfs/dbraw/zinc/10/57/36/232105736.db2.gz OPGKCOJBEVZDDW-CYBMUJFWSA-N 1 0 348.403 1.361 20 5 EDBDRO COCC[C@](C)(O)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000178373605 232148154 /nfs/dbraw/zinc/14/81/54/232148154.db2.gz WOMACERQDZLYMX-WBMJQRKESA-N 1 0 339.392 1.689 20 5 EDBDRO CC(C)C[NH+]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000067375334 215138243 /nfs/dbraw/zinc/13/82/43/215138243.db2.gz ARRXJOGHCNOMHH-KRWDZBQOSA-N 1 0 346.431 1.974 20 5 EDBDRO C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181647562 234267654 /nfs/dbraw/zinc/26/76/54/234267654.db2.gz HDLRBUXARKGQFB-QWHCGFSZSA-N 1 0 335.408 1.561 20 5 EDBDRO COc1cc(C(=O)NC(C)(C)C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000562976390 306314364 /nfs/dbraw/zinc/31/43/64/306314364.db2.gz YAXUQRMMJLTQNB-UHFFFAOYSA-N 1 0 333.291 1.672 20 5 EDBDRO C[C@]1(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000563233125 306324251 /nfs/dbraw/zinc/32/42/51/306324251.db2.gz FHDPLEVOVJMOCC-KRWDZBQOSA-N 1 0 343.387 1.572 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000563446348 306333743 /nfs/dbraw/zinc/33/37/43/306333743.db2.gz QSBZTEBDCTYWGC-NWDGAFQWSA-N 1 0 327.406 1.583 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2ccccc2)c1 ZINC000065978387 138175407 /nfs/dbraw/zinc/17/54/07/138175407.db2.gz RUFOPGBNQKAQJM-UHFFFAOYSA-N 1 0 335.385 1.663 20 5 EDBDRO Cc1sc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000123939542 138322441 /nfs/dbraw/zinc/32/24/41/138322441.db2.gz AEDVFHFSYXVMAM-SNVBAGLBSA-N 1 0 333.435 1.679 20 5 EDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H]1C ZINC000262795447 291194680 /nfs/dbraw/zinc/19/46/80/291194680.db2.gz TVNJUYNZZFCVBL-BDAKNGLRSA-N 1 0 333.797 1.619 20 5 EDBDRO [NH3+][C@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000269123427 283625740 /nfs/dbraw/zinc/62/57/40/283625740.db2.gz VQPRQXASARUJHG-VIFPVBQESA-N 1 0 328.166 1.921 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000072639687 216286462 /nfs/dbraw/zinc/28/64/62/216286462.db2.gz RKKOWZVQRRYZRJ-OCCSQVGLSA-N 1 0 346.387 1.537 20 5 EDBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)Cn2ccnn2)cc1[N+](=O)[O-] ZINC000414201249 304105774 /nfs/dbraw/zinc/10/57/74/304105774.db2.gz XWMLGHIAFFKXDZ-WCQYABFASA-N 1 0 335.364 1.297 20 5 EDBDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])o3)cn2)CC1 ZINC000073561074 216396097 /nfs/dbraw/zinc/39/60/97/216396097.db2.gz SVCKOQIHWBOWEA-UHFFFAOYSA-N 1 0 345.359 1.265 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)c1 ZINC000565887071 306393738 /nfs/dbraw/zinc/39/37/38/306393738.db2.gz FHSWHEXSGFPFFN-ZDUSSCGKSA-N 1 0 345.359 1.302 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000132344209 223321830 /nfs/dbraw/zinc/32/18/30/223321830.db2.gz AVASVNVPRSQWQB-IUCAKERBSA-N 1 0 333.797 1.606 20 5 EDBDRO CC(C)(C)c1ccc(C(=O)NCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000236577435 139026473 /nfs/dbraw/zinc/02/64/73/139026473.db2.gz FLZHSZVVDZISOQ-UHFFFAOYSA-N 1 0 334.420 1.527 20 5 EDBDRO C[NH2+]CC1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000237348687 139048856 /nfs/dbraw/zinc/04/88/56/139048856.db2.gz MGQXNOXEXXMLRW-UHFFFAOYSA-N 1 0 337.376 1.684 20 5 EDBDRO O=C(NCCN1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000237836126 139061646 /nfs/dbraw/zinc/06/16/46/139061646.db2.gz QYFHAVNPEHCOGM-UHFFFAOYSA-N 1 0 346.309 1.249 20 5 EDBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237970611 139065282 /nfs/dbraw/zinc/06/52/82/139065282.db2.gz NNTLTHKDHRZDIN-FUNVUKJBSA-N 1 0 341.371 1.793 20 5 EDBDRO O=C(CC1CC[NH2+]CC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000238131942 139069420 /nfs/dbraw/zinc/06/94/20/139069420.db2.gz WOGSUQLASSDWHT-ZDUSSCGKSA-N 1 0 333.392 1.392 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000246141454 139096425 /nfs/dbraw/zinc/09/64/25/139096425.db2.gz KKDUUTBGTHQBIY-VHSXEESVSA-N 1 0 333.435 1.617 20 5 EDBDRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000415405803 304215220 /nfs/dbraw/zinc/21/52/20/304215220.db2.gz WMGJICMKRMBBBJ-UHFFFAOYSA-N 1 0 348.403 1.608 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000261655568 139214840 /nfs/dbraw/zinc/21/48/40/139214840.db2.gz FUDBZIJFQHWXEM-STQMWFEESA-N 1 0 341.433 1.960 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261700379 139218703 /nfs/dbraw/zinc/21/87/03/139218703.db2.gz LKGZFLNAJSXOCL-AWEZNQCLSA-N 1 0 327.406 1.571 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nc(C[C@H](C)[NH2+]C)no1 ZINC000261808288 139227733 /nfs/dbraw/zinc/22/77/33/139227733.db2.gz PPWHGOQMKAEMPX-WPRPVWTQSA-N 1 0 337.384 1.733 20 5 EDBDRO [NH3+][C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261858632 139231999 /nfs/dbraw/zinc/23/19/99/139231999.db2.gz WEEWQFZJGIDOSV-LSDHHAIUSA-N 1 0 340.383 1.960 20 5 EDBDRO CO[C@@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000261948270 139239390 /nfs/dbraw/zinc/23/93/90/139239390.db2.gz VWWMHQLTORDMDN-VXGBXAGGSA-N 1 0 343.405 1.030 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000261966437 139240448 /nfs/dbraw/zinc/24/04/48/139240448.db2.gz PMUZQXYHUWSLJF-JTQLQIEISA-N 1 0 347.824 1.835 20 5 EDBDRO C[C@@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000262012568 139243793 /nfs/dbraw/zinc/24/37/93/139243793.db2.gz WRGCRLCWCWTQPV-NXEZZACHSA-N 1 0 328.394 1.042 20 5 EDBDRO CC(C)(C)c1ccc(NC(=O)C(=O)NCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000415559358 251011014 /nfs/dbraw/zinc/01/10/14/251011014.db2.gz KHNXBVWFVAPVEQ-UHFFFAOYSA-N 1 0 348.403 1.828 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415819622 251029406 /nfs/dbraw/zinc/02/94/06/251029406.db2.gz YNMCYFXGSUJSPC-WCQYABFASA-N 1 0 348.403 1.729 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000417172451 251144977 /nfs/dbraw/zinc/14/49/77/251144977.db2.gz FWNBMNGGZCMZPV-FZMZJTMJSA-N 1 0 336.392 1.872 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c1C ZINC000262340065 139271380 /nfs/dbraw/zinc/27/13/80/139271380.db2.gz UGNGFJZOFHXHJS-NWDGAFQWSA-N 1 0 327.406 1.569 20 5 EDBDRO Cc1ccc(NCCCNC(=O)NCC2=CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000417715301 251238855 /nfs/dbraw/zinc/23/88/55/251238855.db2.gz JRWZLEABJYYJTR-UHFFFAOYSA-N 1 0 347.419 1.924 20 5 EDBDRO CO[C@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000417774596 251264768 /nfs/dbraw/zinc/26/47/68/251264768.db2.gz ZPKQJYUZJFRMJY-KBPBESRZSA-N 1 0 336.392 1.285 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000417850648 251297792 /nfs/dbraw/zinc/29/77/92/251297792.db2.gz MJENIOWRYUQKJU-OCCSQVGLSA-N 1 0 336.392 1.642 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000262581304 139288129 /nfs/dbraw/zinc/28/81/29/139288129.db2.gz YZFDBJFPANEFRD-ZDUSSCGKSA-N 1 0 329.353 1.108 20 5 EDBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[C@H]1CCC[NH2+]C1 ZINC000420164991 251626992 /nfs/dbraw/zinc/62/69/92/251626992.db2.gz MTYLPIQFYYCXRH-MNOVXSKESA-N 1 0 327.406 1.798 20 5 EDBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1(C[NH3+])CCC1 ZINC000420327186 251673614 /nfs/dbraw/zinc/67/36/14/251673614.db2.gz KXAUIFDZMAOSNK-UHFFFAOYSA-N 1 0 326.784 2.000 20 5 EDBDRO C[C@@]1(F)C[NH2+]CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000420344155 251686706 /nfs/dbraw/zinc/68/67/06/251686706.db2.gz SGKMDIDVFOTFQZ-CQSZACIVSA-N 1 0 344.774 1.820 20 5 EDBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262762066 139301896 /nfs/dbraw/zinc/30/18/96/139301896.db2.gz GGWQRZIYQDLWHD-SCZZXKLOSA-N 1 0 333.797 1.667 20 5 EDBDRO COC(=O)c1cc(C(=O)NC[C@]2(C)CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000423515651 252058560 /nfs/dbraw/zinc/05/85/60/252058560.db2.gz FXIFCVAHNLXOQM-MRXNPFEDSA-N 1 0 335.360 1.501 20 5 EDBDRO Cn1cc([C@@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)C[C@H]2[NH3+])cn1 ZINC000424228952 252170499 /nfs/dbraw/zinc/17/04/99/252170499.db2.gz VKPACMDJUBYAJB-JKSUJKDBSA-N 1 0 343.387 1.214 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000424337949 252197626 /nfs/dbraw/zinc/19/76/26/252197626.db2.gz AGGGDXOHBXMDEE-ZWNOBZJWSA-N 1 0 348.359 1.049 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000193323268 291822202 /nfs/dbraw/zinc/82/22/02/291822202.db2.gz KAWPHAWARZXXIE-TXEJJXNPSA-N 1 0 325.390 1.052 20 5 EDBDRO CO[C@@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000415631194 304243078 /nfs/dbraw/zinc/24/30/78/304243078.db2.gz MGUCQGABVQSHSN-CHWSQXEVSA-N 1 0 326.328 1.704 20 5 EDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000153397612 224098613 /nfs/dbraw/zinc/09/86/13/224098613.db2.gz VAWPRZOYGRGCAY-AWEZNQCLSA-N 1 0 327.406 1.116 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[C@H](N3CC[NH2+]CC3)C2)c2ccncc21 ZINC000261601411 285130108 /nfs/dbraw/zinc/13/01/08/285130108.db2.gz BILGUXDERGMNQU-ZDUSSCGKSA-N 1 0 327.388 1.627 20 5 EDBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000420243232 285147368 /nfs/dbraw/zinc/14/73/68/285147368.db2.gz CNRIILXNGSEDIO-HNNXBMFYSA-N 1 0 327.388 1.627 20 5 EDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCn2cc(CO)nn2)n1 ZINC000353573988 285169763 /nfs/dbraw/zinc/16/97/63/285169763.db2.gz IVLXYZLALOKVQR-KGLIPLIRSA-N 1 0 349.395 1.039 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000415729593 304262049 /nfs/dbraw/zinc/26/20/49/304262049.db2.gz SNWBYPABEXSIQL-MRXNPFEDSA-N 1 0 332.360 1.135 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@@H](C)[NH2+]1 ZINC000153793901 224158547 /nfs/dbraw/zinc/15/85/47/224158547.db2.gz YYCDMKMQSRCAAQ-VXGBXAGGSA-N 1 0 329.360 1.603 20 5 EDBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@@H](C)C1 ZINC000488711333 255050078 /nfs/dbraw/zinc/05/00/78/255050078.db2.gz HHEDVRPPIWTPCZ-WDMOLILDSA-N 1 0 333.392 1.255 20 5 EDBDRO Cc1sc(S(=O)(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000490628023 255095862 /nfs/dbraw/zinc/09/58/62/255095862.db2.gz RJIBSQJRPAZOCS-ZDUSSCGKSA-N 1 0 345.446 1.681 20 5 EDBDRO C[N@H+](CCCO)C1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000492303085 255169116 /nfs/dbraw/zinc/16/91/16/255169116.db2.gz AQQMYWCTLIVILT-SREVYHEPSA-N 1 0 347.415 1.913 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492592939 255181858 /nfs/dbraw/zinc/18/18/58/255181858.db2.gz JHWZOMPSCFKYRV-XQRVVYSFSA-N 1 0 325.340 1.178 20 5 EDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000493465466 255209967 /nfs/dbraw/zinc/20/99/67/255209967.db2.gz QVQRMHLXZVAZLO-RBOGXCNBSA-N 1 0 331.372 1.587 20 5 EDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000493498918 255212326 /nfs/dbraw/zinc/21/23/26/255212326.db2.gz RZEOFBUHYOBFOG-KIUWMYQTSA-N 1 0 333.388 1.571 20 5 EDBDRO CC[C@@]1(O)CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000495225770 255274156 /nfs/dbraw/zinc/27/41/56/255274156.db2.gz ATIJLDCRBZWDHD-MRXNPFEDSA-N 1 0 335.360 1.740 20 5 EDBDRO CC(C)[C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[NH+](C)C ZINC000118690719 221171093 /nfs/dbraw/zinc/17/10/93/221171093.db2.gz UKPKSXUNJASZAY-WFASDCNBSA-N 1 0 335.408 1.589 20 5 EDBDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(=O)NC ZINC000118832617 221192732 /nfs/dbraw/zinc/19/27/32/221192732.db2.gz ZIUCCUNSWHJMKC-UHFFFAOYSA-N 1 0 336.392 1.690 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000154756061 224300411 /nfs/dbraw/zinc/30/04/11/224300411.db2.gz HYWSJSWYJYIYFL-KBPBESRZSA-N 1 0 335.408 1.433 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1 ZINC000119422544 221317103 /nfs/dbraw/zinc/31/71/03/221317103.db2.gz PBYDZEHUENCVHI-CQSZACIVSA-N 1 0 331.376 1.977 20 5 EDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000119425138 221318343 /nfs/dbraw/zinc/31/83/43/221318343.db2.gz LTRGFXOPGJLJPC-ZIAGYGMSSA-N 1 0 333.388 1.916 20 5 EDBDRO COC[C@@]1(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000262418656 285324526 /nfs/dbraw/zinc/32/45/26/285324526.db2.gz DVBNAZCDVJXGDN-AWEZNQCLSA-N 1 0 327.768 1.747 20 5 EDBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000264169314 139384150 /nfs/dbraw/zinc/38/41/50/139384150.db2.gz VERUOYQVTQCBOQ-LLVKDONJSA-N 1 0 345.421 1.612 20 5 EDBDRO COc1ccc(C[NH2+]C(C)(C)CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000174637572 533656383 /nfs/dbraw/zinc/65/63/83/533656383.db2.gz TUODRLFBWWYONP-UHFFFAOYSA-N 1 0 330.406 1.906 20 5 EDBDRO O=C(CC[NH2+][C@H]1CCO[C@]2(CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000571158819 306558812 /nfs/dbraw/zinc/55/88/12/306558812.db2.gz XORIMZMORJCERF-SUMWQHHRSA-N 1 0 349.387 1.851 20 5 EDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000416288982 304303047 /nfs/dbraw/zinc/30/30/47/304303047.db2.gz DXJUNPHHNUKMII-VXGBXAGGSA-N 1 0 346.387 1.603 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+]C3(CO)CCOCC3)co2)cc1 ZINC000270520509 140116071 /nfs/dbraw/zinc/11/60/71/140116071.db2.gz CKARGZFMYORECF-UHFFFAOYSA-N 1 0 333.344 1.881 20 5 EDBDRO CS[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000270542184 140120152 /nfs/dbraw/zinc/12/01/52/140120152.db2.gz XVFLDAVUUSVGOP-KBPBESRZSA-N 1 0 339.417 1.478 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000271278756 140270128 /nfs/dbraw/zinc/27/01/28/140270128.db2.gz BBRQNJVONZOSJC-ZYHUDNBSSA-N 1 0 347.400 1.956 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000271356998 140284268 /nfs/dbraw/zinc/28/42/68/140284268.db2.gz FSQPNBKUJRSHMB-GXTWGEPZSA-N 1 0 343.387 1.721 20 5 EDBDRO CCCCN1CCCC[C@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000571908912 306577345 /nfs/dbraw/zinc/57/73/45/306577345.db2.gz KTGQUUMULZKKCV-GOEBONIOSA-N 1 0 339.440 1.396 20 5 EDBDRO C[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1[NH+](C)C ZINC000331534830 141044368 /nfs/dbraw/zinc/04/43/68/141044368.db2.gz GVNDVXMKPVQJAH-UHOFOFEASA-N 1 0 332.404 1.582 20 5 EDBDRO C[N@@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000340033224 142242207 /nfs/dbraw/zinc/24/22/07/142242207.db2.gz POFGMDVGSPXHFD-UHFFFAOYSA-N 1 0 344.371 1.686 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000344838469 143018175 /nfs/dbraw/zinc/01/81/75/143018175.db2.gz GWPBLPCELGBAKG-SFHVURJKSA-N 1 0 347.415 1.853 20 5 EDBDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000345307040 143075828 /nfs/dbraw/zinc/07/58/28/143075828.db2.gz RXOHTVHBVWUTHV-KHIZAZIESA-N 1 0 343.387 1.951 20 5 EDBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000346238062 143182237 /nfs/dbraw/zinc/18/22/37/143182237.db2.gz OWOOFPXIEGDPIY-UHFFFAOYSA-N 1 0 337.424 1.906 20 5 EDBDRO CCOCCC[N@@H+]1CC[C@H](NCc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000346553039 143216125 /nfs/dbraw/zinc/21/61/25/143216125.db2.gz FSLYMOOAKBTKNT-KBPBESRZSA-N 1 0 339.440 1.555 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C(N)=O ZINC000346655137 143227161 /nfs/dbraw/zinc/22/71/61/143227161.db2.gz KNJAOBLNJBREDH-SKDRFNHKSA-N 1 0 331.332 1.198 20 5 EDBDRO CCn1c(CC[NH3+])nnc1Sc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347403046 143317206 /nfs/dbraw/zinc/31/72/06/143317206.db2.gz HYSMBZYOCJZKJT-UHFFFAOYSA-N 1 0 345.388 1.802 20 5 EDBDRO COc1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CC2)cc1[N+](=O)[O-] ZINC000347419337 143318850 /nfs/dbraw/zinc/31/88/50/143318850.db2.gz RWABLFNDNWCDNF-UHFFFAOYSA-N 1 0 343.405 1.318 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC(C)(C)C[NH+](C)C)c1 ZINC000416506338 304326000 /nfs/dbraw/zinc/32/60/00/304326000.db2.gz GFURXMXNWUYIFR-UHFFFAOYSA-N 1 0 329.422 1.830 20 5 EDBDRO C[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000262539298 296561752 /nfs/dbraw/zinc/56/17/52/296561752.db2.gz QVDDWERDJVWBQX-ZJUUUORDSA-N 1 0 331.369 1.339 20 5 EDBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000369709233 155142821 /nfs/dbraw/zinc/14/28/21/155142821.db2.gz OZWIYWKDZZSQGM-HNNXBMFYSA-N 1 0 343.387 1.524 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cccc([N+](=O)[O-])c1 ZINC000369778941 155172630 /nfs/dbraw/zinc/17/26/30/155172630.db2.gz TWIIYWVOEQEIAY-FVQBIDKESA-N 1 0 333.388 1.919 20 5 EDBDRO COc1cc(CCNC(=O)N[C@@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000416891950 304353580 /nfs/dbraw/zinc/35/35/80/304353580.db2.gz ACYSBMRWSHXUTE-UWVGGRQHSA-N 1 0 340.380 1.189 20 5 EDBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000341066215 149060906 /nfs/dbraw/zinc/06/09/06/149060906.db2.gz KFZHOQRSARUMNA-STQMWFEESA-N 1 0 336.392 1.136 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352666175 149108398 /nfs/dbraw/zinc/10/83/98/149108398.db2.gz GUNSVYOPPGOKIA-KBPBESRZSA-N 1 0 337.376 1.777 20 5 EDBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352872716 149198224 /nfs/dbraw/zinc/19/82/24/149198224.db2.gz FBXPFWQEZMMALO-YDHLFZDLSA-N 1 0 326.397 1.168 20 5 EDBDRO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000352878637 149200781 /nfs/dbraw/zinc/20/07/81/149200781.db2.gz DFJWODPEHPLFOO-AWEZNQCLSA-N 1 0 339.417 1.593 20 5 EDBDRO CCC[N@H+](CCN1CCCCC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000353142554 149301949 /nfs/dbraw/zinc/30/19/49/149301949.db2.gz GFQPFLDOEOYUPI-MRXNPFEDSA-N 1 0 339.440 1.350 20 5 EDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCC[C@@H]2n2cc(CO)nn2)c1 ZINC000353224439 149330264 /nfs/dbraw/zinc/33/02/64/149330264.db2.gz LMIXYKQNHQMLNV-HOTGVXAUSA-N 1 0 331.376 1.952 20 5 EDBDRO CC(C)[C@H]1CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000353389802 149388876 /nfs/dbraw/zinc/38/88/76/149388876.db2.gz XAYWRAJRSYZIAQ-CABCVRRESA-N 1 0 341.433 1.897 20 5 EDBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000354728333 149938649 /nfs/dbraw/zinc/93/86/49/149938649.db2.gz NBCCTSBCLIGEDH-KBPBESRZSA-N 1 0 336.440 1.323 20 5 EDBDRO CC(C)(C)OC[C@H](O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369974943 155261974 /nfs/dbraw/zinc/26/19/74/155261974.db2.gz QQBWIFMCIZRNSN-TZMCWYRMSA-N 1 0 326.397 1.604 20 5 EDBDRO Cn1c(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)ccc1[N+](=O)[O-] ZINC000355326875 150219091 /nfs/dbraw/zinc/21/90/91/150219091.db2.gz ZVWKEHPJGCCKNT-CQSZACIVSA-N 1 0 344.371 1.752 20 5 EDBDRO CC[NH+](CC)CCOC1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355330330 150219631 /nfs/dbraw/zinc/21/96/31/150219631.db2.gz BVHSTRVOZHXJSP-UHFFFAOYSA-N 1 0 339.440 1.651 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3OC)[C@@H]2C1 ZINC000355347538 150228045 /nfs/dbraw/zinc/22/80/45/150228045.db2.gz PPQMEQGMOWNNAO-CABCVRRESA-N 1 0 349.387 1.539 20 5 EDBDRO COc1cccc(CN(CC[NH+](C)C)c2ncc([N+](=O)[O-])cn2)c1 ZINC000357673914 151111795 /nfs/dbraw/zinc/11/17/95/151111795.db2.gz MAPHXEJFSGEBJH-UHFFFAOYSA-N 1 0 331.376 1.962 20 5 EDBDRO CC1CCC([NH+]2CCN(C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)CC1 ZINC000357917418 151195288 /nfs/dbraw/zinc/19/52/88/151195288.db2.gz XQXMDKUMQSOEAU-UHFFFAOYSA-N 1 0 335.408 1.665 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)n1 ZINC000357965096 151213187 /nfs/dbraw/zinc/21/31/87/151213187.db2.gz PDRPYNFMQLAJFU-CYBMUJFWSA-N 1 0 331.376 1.231 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000358270062 151322219 /nfs/dbraw/zinc/32/22/19/151322219.db2.gz VXWGAZQJCYWXEW-KCPJHIHWSA-N 1 0 348.403 1.816 20 5 EDBDRO CCC[C@H]1C[NH2+]CCN1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000359070873 151585846 /nfs/dbraw/zinc/58/58/46/151585846.db2.gz ZPJFTZGHUWZWSU-LBPRGKRZSA-N 1 0 336.392 1.616 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000360651731 152138806 /nfs/dbraw/zinc/13/88/06/152138806.db2.gz IQQIHIRWTFHABK-STQMWFEESA-N 1 0 341.433 1.973 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000361429961 152392966 /nfs/dbraw/zinc/39/29/66/152392966.db2.gz LLKFBJGAZZSGIU-MRXNPFEDSA-N 1 0 346.431 1.755 20 5 EDBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](C)CN1CCO ZINC000417160279 304379117 /nfs/dbraw/zinc/37/91/17/304379117.db2.gz PGNVWPJAZGNSBY-QWRGUYRKSA-N 1 0 340.355 1.653 20 5 EDBDRO Cc1cc(N2CCO[C@H](CN3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000362314859 152676603 /nfs/dbraw/zinc/67/66/03/152676603.db2.gz CXVKJYYXBVTFQU-MRXNPFEDSA-N 1 0 334.420 1.356 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H](C)OC)c([N+](=O)[O-])c1 ZINC000191710506 286334526 /nfs/dbraw/zinc/33/45/26/286334526.db2.gz MRRSMQWRMMQOEF-GARJFASQSA-N 1 0 325.365 1.943 20 5 EDBDRO COc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000417177438 304380684 /nfs/dbraw/zinc/38/06/84/304380684.db2.gz CWBFQWZHGBIOFV-MGPQQGTHSA-N 1 0 348.403 1.791 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000417194342 304383016 /nfs/dbraw/zinc/38/30/16/304383016.db2.gz PXQROUMYIRCABE-ZDUSSCGKSA-N 1 0 336.392 1.744 20 5 EDBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000364938839 153376934 /nfs/dbraw/zinc/37/69/34/153376934.db2.gz WLOMZVNBCWZSEL-NPQIQWPPSA-N 1 0 333.388 1.523 20 5 EDBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000364959371 153383568 /nfs/dbraw/zinc/38/35/68/153383568.db2.gz ZGCXDCJGKDONTO-WQVCFCJDSA-N 1 0 333.388 1.950 20 5 EDBDRO CCN1C(=O)[C@@H]2CN([C@@H](C)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000369450691 155040764 /nfs/dbraw/zinc/04/07/64/155040764.db2.gz FSEZGALULFRQED-FZMZJTMJSA-N 1 0 332.360 1.624 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000378237012 158118124 /nfs/dbraw/zinc/11/81/24/158118124.db2.gz ZFUGQMZUNOWLEY-ZIAGYGMSSA-N 1 0 335.408 1.480 20 5 EDBDRO C[N@@H+]1CCCC12CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2 ZINC000378432898 158171598 /nfs/dbraw/zinc/17/15/98/158171598.db2.gz RLIXZXJGGXOHHB-UHFFFAOYSA-N 1 0 332.404 1.754 20 5 EDBDRO C[NH+](C)CC(=O)N1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000267084208 161536395 /nfs/dbraw/zinc/53/63/95/161536395.db2.gz YSLVEGHRUXWISR-UHFFFAOYSA-N 1 0 340.811 1.454 20 5 EDBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]C1 ZINC000418000955 304444675 /nfs/dbraw/zinc/44/46/75/304444675.db2.gz XLACKVRCGIPXEZ-GFCCVEGCSA-N 1 0 326.784 1.842 20 5 EDBDRO Cc1c(CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cccc1[N+](=O)[O-] ZINC000418084103 304456276 /nfs/dbraw/zinc/45/62/76/304456276.db2.gz UXMZERODNPPULJ-GFCCVEGCSA-N 1 0 328.319 1.700 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000068411787 287249060 /nfs/dbraw/zinc/24/90/60/287249060.db2.gz QJJBYQKVDFQOQY-UHFFFAOYSA-N 1 0 331.376 1.478 20 5 EDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418301518 304477230 /nfs/dbraw/zinc/47/72/30/304477230.db2.gz ROJKMMLCYATRIT-UHFFFAOYSA-N 1 0 349.435 1.420 20 5 EDBDRO CN(Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000119308371 287351733 /nfs/dbraw/zinc/35/17/33/287351733.db2.gz RQVOZDUGTKHCBU-GFCCVEGCSA-N 1 0 343.811 1.373 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCCC[NH2+]Cc1cccnc1 ZINC000120795320 287364837 /nfs/dbraw/zinc/36/48/37/287364837.db2.gz REUZWQFOWXZRCU-UHFFFAOYSA-N 1 0 344.371 1.665 20 5 EDBDRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000121089589 287367768 /nfs/dbraw/zinc/36/77/68/287367768.db2.gz PXFWSXGZSYTTMR-UHFFFAOYSA-N 1 0 342.783 1.597 20 5 EDBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000122241658 222044610 /nfs/dbraw/zinc/04/46/10/222044610.db2.gz OIDXRXDOSBJZJS-CQSZACIVSA-N 1 0 334.420 1.598 20 5 EDBDRO C[C@@H]1C[C@H](N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000123085128 222212634 /nfs/dbraw/zinc/21/26/34/222212634.db2.gz MZWYQDGKYBKCQD-UKRRQHHQSA-N 1 0 346.431 1.898 20 5 EDBDRO COc1cc(CCNC(=O)C[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000189922345 272970579 /nfs/dbraw/zinc/97/05/79/272970579.db2.gz QLWFBPPJEYPOCT-NSHDSACASA-N 1 0 337.376 1.270 20 5 EDBDRO C[NH2+]C[C@@H](C)CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237283859 273008796 /nfs/dbraw/zinc/00/87/96/273008796.db2.gz GTSXWADUVPWIDN-SNVBAGLBSA-N 1 0 329.784 1.989 20 5 EDBDRO C[C@@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000193036442 267837509 /nfs/dbraw/zinc/83/75/09/267837509.db2.gz RHGIQALEBZEGLV-BXKDBHETSA-N 1 0 333.435 1.842 20 5 EDBDRO C[NH2+]C[C@H](C)CNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000237202374 267925579 /nfs/dbraw/zinc/92/55/79/267925579.db2.gz NCXCXUMNMCSZEP-JTQLQIEISA-N 1 0 332.364 1.069 20 5 EDBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000274057485 268103521 /nfs/dbraw/zinc/10/35/21/268103521.db2.gz ZOUAFOJSSWJHBK-SWLSCSKDSA-N 1 0 341.433 1.946 20 5 EDBDRO COC(=O)C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273106049 273028720 /nfs/dbraw/zinc/02/87/20/273028720.db2.gz FSCMWLIOSWKPSG-QWHCGFSZSA-N 1 0 338.360 1.362 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](CCO)C3CCOCC3)n2)c1 ZINC000275485802 268350094 /nfs/dbraw/zinc/35/00/94/268350094.db2.gz FIYNGKJYFANRDW-UHFFFAOYSA-N 1 0 348.359 1.618 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000275494976 268351243 /nfs/dbraw/zinc/35/12/43/268351243.db2.gz BWFOJCGRPZXEMB-UHFFFAOYSA-N 1 0 338.364 1.447 20 5 EDBDRO CCN(CCC[NH+](CC)CC)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000276487275 268433164 /nfs/dbraw/zinc/43/31/64/268433164.db2.gz RUOHVUHLFJOCNA-UHFFFAOYSA-N 1 0 338.408 1.337 20 5 EDBDRO C[C@@]1(CCCO)CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273163215 273030775 /nfs/dbraw/zinc/03/07/75/273030775.db2.gz NWYPJBBDMZVBHL-YOEHRIQHSA-N 1 0 338.404 1.962 20 5 EDBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cnn(C)c1 ZINC000273414146 273037165 /nfs/dbraw/zinc/03/71/65/273037165.db2.gz UHIPXTCCKAXJSD-NSHDSACASA-N 1 0 329.360 1.568 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CO)c1cnn(C)c1 ZINC000274105499 273069600 /nfs/dbraw/zinc/06/96/00/273069600.db2.gz SZWHHLYRFIZDFP-OAHLLOKOSA-N 1 0 347.375 1.289 20 5 EDBDRO COc1ccc(OCC[NH2+][C@H](CO)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000275134420 273102627 /nfs/dbraw/zinc/10/26/27/273102627.db2.gz CHRPKOUZZYOWMX-CYBMUJFWSA-N 1 0 336.348 1.039 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000043285510 272910474 /nfs/dbraw/zinc/91/04/74/272910474.db2.gz VTQRJTOEHWXNHW-CYBMUJFWSA-N 1 0 347.375 1.728 20 5 EDBDRO C[C@@](CO)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000173788394 272934637 /nfs/dbraw/zinc/93/46/37/272934637.db2.gz XPOIBMIBPMBDSY-CABCVRRESA-N 1 0 326.397 1.073 20 5 EDBDRO COC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCO1 ZINC000279110716 273280364 /nfs/dbraw/zinc/28/03/64/273280364.db2.gz SKLMRXJBAQIKGY-CABCVRRESA-N 1 0 337.376 1.625 20 5 EDBDRO COc1ccc(CNC(=O)NCC[N@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000279795695 273327920 /nfs/dbraw/zinc/32/79/20/273327920.db2.gz DFSYURXOLPTYGA-UHFFFAOYSA-N 1 0 334.376 1.665 20 5 EDBDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000280509019 273364871 /nfs/dbraw/zinc/36/48/71/273364871.db2.gz CVNHJQQOWLZTOY-OAHLLOKOSA-N 1 0 331.332 1.342 20 5 EDBDRO CO[C@H]1C[C@@H](CN(C)c2nc3sccn3c2[N+](=O)[O-])[N@H+](C)C1 ZINC000284625080 274269055 /nfs/dbraw/zinc/26/90/55/274269055.db2.gz UCILJGCGTBGSJX-UWVGGRQHSA-N 1 0 325.394 1.459 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367045323 274331713 /nfs/dbraw/zinc/33/17/13/274331713.db2.gz KQQLVIBTHIXSRT-PBHICJAKSA-N 1 0 346.431 1.693 20 5 EDBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000352512061 276011985 /nfs/dbraw/zinc/01/19/85/276011985.db2.gz NFKSRQGRZMDGNR-LBPRGKRZSA-N 1 0 327.406 1.748 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc(C)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000355369044 276218981 /nfs/dbraw/zinc/21/89/81/276218981.db2.gz BKYHDFBARGFUNI-CVEARBPZSA-N 1 0 333.388 1.838 20 5 EDBDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-])c1ccccc1O2 ZINC000360130009 277035784 /nfs/dbraw/zinc/03/57/84/277035784.db2.gz NPXVOHXYBMTYPU-KKUMJFAQSA-N 1 0 345.399 1.756 20 5 EDBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000151629643 277075835 /nfs/dbraw/zinc/07/58/35/277075835.db2.gz QIPWVHKLVOBATG-AWEZNQCLSA-N 1 0 336.367 1.477 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]21 ZINC000375042848 277146617 /nfs/dbraw/zinc/14/66/17/277146617.db2.gz SUSHAKGHMCVKHL-KBRIMQKVSA-N 1 0 344.415 1.726 20 5 EDBDRO CO[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[C@H](C[NH3+])C1 ZINC000261624405 277293067 /nfs/dbraw/zinc/29/30/67/277293067.db2.gz CLYGQLWDPKVLNL-QWHCGFSZSA-N 1 0 343.405 1.030 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000420219933 277436726 /nfs/dbraw/zinc/43/67/26/277436726.db2.gz RKTIDHROVAEAAN-LBPRGKRZSA-N 1 0 334.376 1.745 20 5 EDBDRO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCC[C@H]1O ZINC000286449641 288008560 /nfs/dbraw/zinc/00/85/60/288008560.db2.gz JUUSPOBQUSIYES-ZYHUDNBSSA-N 1 0 337.332 1.107 20 5 EDBDRO CS(=O)(=O)C1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000359030944 278103892 /nfs/dbraw/zinc/10/38/92/278103892.db2.gz SHCJYLFMCYQZCX-NWDGAFQWSA-N 1 0 342.421 1.442 20 5 EDBDRO CS(=O)(=O)c1ccc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000262410894 278119944 /nfs/dbraw/zinc/11/99/44/278119944.db2.gz DDDQWVOPJKTUKO-QWRGUYRKSA-N 1 0 325.390 1.044 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000286548147 288032000 /nfs/dbraw/zinc/03/20/00/288032000.db2.gz USPFIVTZOIYAEI-WDEREUQCSA-N 1 0 329.347 1.760 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000261971198 279676568 /nfs/dbraw/zinc/67/65/68/279676568.db2.gz ZCLWHVBADUUQEI-JBLDHEPKSA-N 1 0 343.380 1.482 20 5 EDBDRO CC[C@@H](O)C[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000287183837 288175436 /nfs/dbraw/zinc/17/54/36/288175436.db2.gz GWLHAQYEUCPKOP-SNVBAGLBSA-N 1 0 337.405 1.492 20 5 EDBDRO C[C@](C[NH3+])(NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CC1 ZINC000237623234 280140068 /nfs/dbraw/zinc/14/00/68/280140068.db2.gz ODSAIFCNDAHUMD-OAHLLOKOSA-N 1 0 330.348 1.033 20 5 EDBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000287598167 288274022 /nfs/dbraw/zinc/27/40/22/288274022.db2.gz YFQLHCOWMCXIRR-CYBMUJFWSA-N 1 0 326.784 2.000 20 5 EDBDRO Cc1cccc(N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000262148167 281226669 /nfs/dbraw/zinc/22/66/69/281226669.db2.gz FRNJMDGKVRXUFJ-LSDHHAIUSA-N 1 0 346.431 1.988 20 5 EDBDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000290200220 288857030 /nfs/dbraw/zinc/85/70/30/288857030.db2.gz PANLZJAEXUUCSI-IAGOWNOFSA-N 1 0 346.431 1.878 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000291933735 289219362 /nfs/dbraw/zinc/21/93/62/289219362.db2.gz CHUJBMOVAGBXGQ-BXUZGUMPSA-N 1 0 326.356 1.967 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000262643790 290181292 /nfs/dbraw/zinc/18/12/92/290181292.db2.gz UHGPBIZNSILYGV-GXSJLCMTSA-N 1 0 327.768 1.836 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000377532644 293394675 /nfs/dbraw/zinc/39/46/75/293394675.db2.gz ZJXUVRMMNNNFAD-OAHLLOKOSA-N 1 0 349.435 1.824 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC000422557172 295187849 /nfs/dbraw/zinc/18/78/49/295187849.db2.gz VLGCSLHPEHJBTL-UHFFFAOYSA-N 1 0 341.389 1.120 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000261661048 295255027 /nfs/dbraw/zinc/25/50/27/295255027.db2.gz GFAFWZGMCQIFFL-LLVKDONJSA-N 1 0 343.405 1.495 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000261756724 301014230 /nfs/dbraw/zinc/01/42/30/301014230.db2.gz VIRLTNWCHUVMKG-ZDUSSCGKSA-N 1 0 347.396 1.982 20 5 EDBDRO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000449592907 301095031 /nfs/dbraw/zinc/09/50/31/301095031.db2.gz TWVDECDNNHKZTE-LALPHHSUSA-N 1 0 348.403 1.360 20 5 EDBDRO CNC(=O)c1ccc(N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000420279164 304742783 /nfs/dbraw/zinc/74/27/83/304742783.db2.gz JVFXMFUFZBTHEW-CJNGLKHVSA-N 1 0 348.403 1.287 20 5 EDBDRO C[C@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000420298010 304744880 /nfs/dbraw/zinc/74/48/80/304744880.db2.gz ZMBMJOWTGIMXJR-SMDDNHRTSA-N 1 0 327.406 1.038 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000420400974 304755680 /nfs/dbraw/zinc/75/56/80/304755680.db2.gz FUKCWDVDVJIKTH-ZDUSSCGKSA-N 1 0 341.433 1.832 20 5 EDBDRO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420441913 304758560 /nfs/dbraw/zinc/75/85/60/304758560.db2.gz PEZWXOQRXRMWIK-RQJHMYQMSA-N 1 0 341.311 1.628 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000127960875 302805303 /nfs/dbraw/zinc/80/53/03/302805303.db2.gz LZGITQTYYPHROZ-OAHLLOKOSA-N 1 0 349.435 1.743 20 5 EDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc([N+](=O)[O-])cc1Br ZINC000294697266 303137078 /nfs/dbraw/zinc/13/70/78/303137078.db2.gz AOOLTHCNAAVXAH-JZYVYDRUSA-N 1 0 326.150 1.305 20 5 EDBDRO CN(C)c1cc(F)c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000295307926 303202643 /nfs/dbraw/zinc/20/26/43/303202643.db2.gz RPOKJRFRPFCNQK-NSHDSACASA-N 1 0 336.367 1.720 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301893391 303702055 /nfs/dbraw/zinc/70/20/55/303702055.db2.gz OXHBIMWASCYGRP-NSHDSACASA-N 1 0 327.406 1.529 20 5 EDBDRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000426898177 304984437 /nfs/dbraw/zinc/98/44/37/304984437.db2.gz SRMLNGPCQRCPPI-LBPRGKRZSA-N 1 0 348.359 1.477 20 5 EDBDRO CCCC[C@H](C[NH3+])NC(=O)[C@@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000429611595 305033137 /nfs/dbraw/zinc/03/31/37/305033137.db2.gz OHPZMLOQDRYBMU-VXGBXAGGSA-N 1 0 340.428 1.461 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000429717916 305035789 /nfs/dbraw/zinc/03/57/89/305035789.db2.gz RIHHQVZCYUISCL-KBUPBQIOSA-N 1 0 336.392 1.090 20 5 EDBDRO [NH3+][C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000430604863 305058376 /nfs/dbraw/zinc/05/83/76/305058376.db2.gz ORRFXYQUIDRMPN-MRVPVSSYSA-N 1 0 343.181 1.329 20 5 EDBDRO COc1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000440438835 305206721 /nfs/dbraw/zinc/20/67/21/305206721.db2.gz NAQMZVXTAHTEIA-LLVKDONJSA-N 1 0 341.389 1.118 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000440734319 305212015 /nfs/dbraw/zinc/21/20/15/305212015.db2.gz LVFBOIHVRIVXDI-OLZOCXBDSA-N 1 0 341.433 1.878 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000440766803 305212537 /nfs/dbraw/zinc/21/25/37/305212537.db2.gz ZDEBZNOGEBSELY-CHWSQXEVSA-N 1 0 341.433 1.878 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000441238018 305219424 /nfs/dbraw/zinc/21/94/24/305219424.db2.gz XRLPWHVHCQRLOX-TZMCWYRMSA-N 1 0 347.419 1.931 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000446329087 305263192 /nfs/dbraw/zinc/26/31/92/305263192.db2.gz CVMQQMUEIOVJFT-ZDUSSCGKSA-N 1 0 335.404 1.820 20 5 EDBDRO Cc1c(NC(=O)CC[NH2+][C@@H](CO)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000447910801 305288659 /nfs/dbraw/zinc/28/86/59/305288659.db2.gz DIVABLZIKATOSC-DZGCQCFKSA-N 1 0 337.376 1.361 20 5 EDBDRO CCS(=O)(=O)N1CC(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449269062 305310429 /nfs/dbraw/zinc/31/04/29/305310429.db2.gz LMQYDTMRYNPEKX-GFCCVEGCSA-N 1 0 341.433 1.397 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000449699392 305317358 /nfs/dbraw/zinc/31/73/58/305317358.db2.gz OVEIEMNIJLPNDT-UONOGXRCSA-N 1 0 332.404 1.855 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000451293735 305336838 /nfs/dbraw/zinc/33/68/38/305336838.db2.gz BLFQURLQBUCQFI-APHBMKBZSA-N 1 0 336.388 1.965 20 5 EDBDRO NC(=O)c1ccc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000451612446 305356296 /nfs/dbraw/zinc/35/62/96/305356296.db2.gz QDMYWBOWAAFSFQ-HOCLYGCPSA-N 1 0 333.388 1.580 20 5 EDBDRO Cc1c(NC(=O)CCN2C[C@H]3CC[N@@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000451632349 305357616 /nfs/dbraw/zinc/35/76/16/305357616.db2.gz OOVRMJOPCHYCBD-CJNGLKHVSA-N 1 0 332.404 1.868 20 5 EDBDRO COc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)ccc1[N+](=O)[O-] ZINC000452391823 305397230 /nfs/dbraw/zinc/39/72/30/305397230.db2.gz QLZZLLHDERGVDX-ZDUSSCGKSA-N 1 0 337.376 1.180 20 5 EDBDRO CNc1nc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000454891555 305436448 /nfs/dbraw/zinc/43/64/48/305436448.db2.gz OUOOWFOVRIWGCJ-GFCCVEGCSA-N 1 0 335.408 1.883 20 5 EDBDRO CC(C)[NH2+]C1(CO)CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000514947685 305710833 /nfs/dbraw/zinc/71/08/33/305710833.db2.gz IBYZYFCPCXNVSD-UHFFFAOYSA-N 1 0 337.420 1.799 20 5 EDBDRO Cc1nccn1C[C@H](C)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000517127035 305748078 /nfs/dbraw/zinc/74/80/78/305748078.db2.gz JNWXGNWWEZMUCI-UKRRQHHQSA-N 1 0 348.403 1.765 20 5 EDBDRO CN(CC1([NH+](C)C)CCC1)c1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000527325452 305844876 /nfs/dbraw/zinc/84/48/76/305844876.db2.gz OUWBMUGSXHXDEY-UHFFFAOYSA-N 1 0 342.421 1.163 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000533019582 305994146 /nfs/dbraw/zinc/99/41/46/305994146.db2.gz PFNUYZHZBWWGIO-UXIGCNINSA-N 1 0 336.392 1.257 20 5 EDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000540979481 306043076 /nfs/dbraw/zinc/04/30/76/306043076.db2.gz OCWBQPIVVGMSOF-ZDUSSCGKSA-N 1 0 333.392 1.894 20 5 EDBDRO CCn1cc(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000544143977 306073041 /nfs/dbraw/zinc/07/30/41/306073041.db2.gz LQYUEMPLERRNOF-CQSZACIVSA-N 1 0 334.376 1.683 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000449450862 447373662 /nfs/dbraw/zinc/37/36/62/447373662.db2.gz PGPVIZSWHDSTNF-NSHDSACASA-N 1 0 340.376 1.786 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000449887006 447407668 /nfs/dbraw/zinc/40/76/68/447407668.db2.gz KXNIOGPOTVLUGN-CYBMUJFWSA-N 1 0 343.387 1.804 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000449937440 447415417 /nfs/dbraw/zinc/41/54/17/447415417.db2.gz BZNZLPFAOMXFSK-VHSXEESVSA-N 1 0 325.340 1.955 20 5 EDBDRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000415423182 447422237 /nfs/dbraw/zinc/42/22/37/447422237.db2.gz GDVFGJONIKPSDP-AWEZNQCLSA-N 1 0 334.376 1.557 20 5 EDBDRO CNC(=O)c1ccc(NCC[NH+]2CCC(OC)CC2)c([N+](=O)[O-])c1 ZINC000080267764 441156777 /nfs/dbraw/zinc/15/67/77/441156777.db2.gz GUEVJJLIDUUMDN-UHFFFAOYSA-N 1 0 336.392 1.477 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000060113401 441233574 /nfs/dbraw/zinc/23/35/74/441233574.db2.gz PJODGHJOOABSCC-CQSZACIVSA-N 1 0 339.417 1.844 20 5 EDBDRO NC(=O)C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000104661548 441199338 /nfs/dbraw/zinc/19/93/38/441199338.db2.gz ARMLTDLJPGQGAA-UHFFFAOYSA-N 1 0 344.371 1.990 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000104747837 441203783 /nfs/dbraw/zinc/20/37/83/441203783.db2.gz RTAANHNUJAEVLQ-LBPRGKRZSA-N 1 0 341.433 1.729 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000104747458 441203838 /nfs/dbraw/zinc/20/38/38/441203838.db2.gz CULUBHCEHBIFNU-LBPRGKRZSA-N 1 0 327.406 1.475 20 5 EDBDRO CC[N@H+](CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000073076143 441290667 /nfs/dbraw/zinc/29/06/67/441290667.db2.gz RWXLIOWSDFVWMS-UHFFFAOYSA-N 1 0 349.387 1.509 20 5 EDBDRO Cc1c(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000048773124 441331911 /nfs/dbraw/zinc/33/19/11/441331911.db2.gz CQTRLYBENPKRQQ-UHFFFAOYSA-N 1 0 348.403 1.831 20 5 EDBDRO O=C(NCCCC[NH+]1CCOCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000063505350 441333648 /nfs/dbraw/zinc/33/36/48/441333648.db2.gz DQSOCBJYOIBHIR-UHFFFAOYSA-N 1 0 325.340 1.576 20 5 EDBDRO CCCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(N)=O ZINC000063500230 441334202 /nfs/dbraw/zinc/33/42/02/441334202.db2.gz XRYZABUWHZCXOW-UHFFFAOYSA-N 1 0 336.392 1.819 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000415438140 447439755 /nfs/dbraw/zinc/43/97/55/447439755.db2.gz LQRXPXDHKYHLBR-YPMHNXCESA-N 1 0 348.403 1.682 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](CCC(F)(F)F)CC2CC2)c1 ZINC000084137689 441384418 /nfs/dbraw/zinc/38/44/18/441384418.db2.gz LRKLGFLMNATHMR-GFCCVEGCSA-N 1 0 336.314 1.817 20 5 EDBDRO NC(=O)c1ccc(CN2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000027119801 441395328 /nfs/dbraw/zinc/39/53/28/441395328.db2.gz SKNRYJGBUOYJBC-UHFFFAOYSA-N 1 0 332.404 1.754 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000106542544 441353480 /nfs/dbraw/zinc/35/34/80/441353480.db2.gz NIXJKPOUVXNOAP-AWEZNQCLSA-N 1 0 349.435 1.072 20 5 EDBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000106805487 441373027 /nfs/dbraw/zinc/37/30/27/441373027.db2.gz IRJGYOOPWRUQFY-MRXNPFEDSA-N 1 0 332.404 1.447 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[NH+](CC3CC3)CC2)c1 ZINC000051426746 441410636 /nfs/dbraw/zinc/41/06/36/441410636.db2.gz WIXWOXLJNHHSAO-MRXNPFEDSA-N 1 0 335.404 1.362 20 5 EDBDRO C[N@H+](CCCNC(=O)CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000065775800 441483909 /nfs/dbraw/zinc/48/39/09/441483909.db2.gz BOHNCHKSTVDRGU-UHFFFAOYSA-N 1 0 337.424 1.952 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000075656773 441546749 /nfs/dbraw/zinc/54/67/49/441546749.db2.gz JEEXFTGFWGKTIK-UHFFFAOYSA-N 1 0 341.433 1.890 20 5 EDBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000112922515 441569512 /nfs/dbraw/zinc/56/95/12/441569512.db2.gz FJYBCDYRHVGSTC-AWEZNQCLSA-N 1 0 348.447 1.907 20 5 EDBDRO C[NH+](C)CCc1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000076158189 441603886 /nfs/dbraw/zinc/60/38/86/441603886.db2.gz VBAAWAXYJKKUGF-UHFFFAOYSA-N 1 0 344.371 1.499 20 5 EDBDRO CC[C@H](C)[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015400 441614410 /nfs/dbraw/zinc/61/44/10/441614410.db2.gz YAHTWSFPNBZYQU-NWDGAFQWSA-N 1 0 329.422 1.897 20 5 EDBDRO Cc1sc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000114385009 441652510 /nfs/dbraw/zinc/65/25/10/441652510.db2.gz YAMVJNBZGROAOZ-SNVBAGLBSA-N 1 0 326.422 1.330 20 5 EDBDRO CCc1nn(C)c(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000091453777 441701706 /nfs/dbraw/zinc/70/17/06/441701706.db2.gz SZUILUGEYOLWMB-GFCCVEGCSA-N 1 0 337.424 1.580 20 5 EDBDRO C[NH+]1CCN([C@H]2CCCCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000173291962 441704828 /nfs/dbraw/zinc/70/48/28/441704828.db2.gz OXRRUBRHIDSIBL-KRWDZBQOSA-N 1 0 346.431 1.837 20 5 EDBDRO C[C@H](CN1CCOCC1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000091506767 441709761 /nfs/dbraw/zinc/70/97/61/441709761.db2.gz JCFCPKBDCIRONY-OAHLLOKOSA-N 1 0 334.420 1.438 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C[N@@H+]1Cc1ccccc1 ZINC000137430879 441768905 /nfs/dbraw/zinc/76/89/05/441768905.db2.gz VGCRVTVKMHQDKB-DZGCQCFKSA-N 1 0 343.387 1.571 20 5 EDBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)c2)CC1 ZINC000057054623 441777737 /nfs/dbraw/zinc/77/77/37/441777737.db2.gz JBPJTXDJPAASJW-UHFFFAOYSA-N 1 0 343.387 1.923 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC[C@@H](C)O ZINC000173571040 441795130 /nfs/dbraw/zinc/79/51/30/441795130.db2.gz SHLSFCPYDBEBJU-LLVKDONJSA-N 1 0 325.365 1.635 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(OC3CCCC3)CC2)c1 ZINC000173598068 441802639 /nfs/dbraw/zinc/80/26/39/441802639.db2.gz MUDQDBWHEHPYKV-AWEZNQCLSA-N 1 0 338.408 1.576 20 5 EDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000139336814 441811487 /nfs/dbraw/zinc/81/14/87/441811487.db2.gz PYAIREDAPQPVTO-AWEZNQCLSA-N 1 0 347.419 1.521 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000415441025 447442747 /nfs/dbraw/zinc/44/27/47/447442747.db2.gz MZDAMRIQRKZYLE-NWDGAFQWSA-N 1 0 334.376 1.428 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1nc[nH]n1 ZINC000174817307 441972162 /nfs/dbraw/zinc/97/21/62/441972162.db2.gz NTEFZPWIFODGJU-UHFFFAOYSA-N 1 0 334.336 1.182 20 5 EDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+]C[C@H]1C ZINC000125329497 442011392 /nfs/dbraw/zinc/01/13/92/442011392.db2.gz QSHHBUBZQPNQKD-NXEZZACHSA-N 1 0 327.768 1.836 20 5 EDBDRO CN(CC[NH+](C)C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000175265664 442028668 /nfs/dbraw/zinc/02/86/68/442028668.db2.gz GHOWKKARVAKFMC-UHFFFAOYSA-N 1 0 330.182 1.991 20 5 EDBDRO CN(CC(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccccc1[N+](=O)[O-] ZINC000079870321 442092245 /nfs/dbraw/zinc/09/22/45/442092245.db2.gz OOVDQIYTJBZRGQ-UHFFFAOYSA-N 1 0 346.391 1.428 20 5 EDBDRO Cc1c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000162177104 442070547 /nfs/dbraw/zinc/07/05/47/442070547.db2.gz WABNMQDJKQPKNE-NWDGAFQWSA-N 1 0 344.375 1.484 20 5 EDBDRO CC[NH+](CC)Cc1cccc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000121336408 442204373 /nfs/dbraw/zinc/20/43/73/442204373.db2.gz IAHAAOWJQGSDAT-UHFFFAOYSA-N 1 0 345.403 1.950 20 5 EDBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000121289378 442199934 /nfs/dbraw/zinc/19/99/34/442199934.db2.gz WSFOFCISLHBHHA-UHFFFAOYSA-N 1 0 346.347 1.460 20 5 EDBDRO CCC[C@@H]1C(=O)NCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000152597118 442229206 /nfs/dbraw/zinc/22/92/06/442229206.db2.gz IUUBYAGOIVVJGT-OAHLLOKOSA-N 1 0 348.403 1.832 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000155396942 442394611 /nfs/dbraw/zinc/39/46/11/442394611.db2.gz XEXIZMDLJAJVFM-BBRMVZONSA-N 1 0 333.388 1.916 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000172017554 442400040 /nfs/dbraw/zinc/40/00/40/442400040.db2.gz IHKJABHGTRCSSI-GFCCVEGCSA-N 1 0 341.433 1.913 20 5 EDBDRO C[C@H]1CN(Cc2ccccc2)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000172556140 442488700 /nfs/dbraw/zinc/48/87/00/442488700.db2.gz HUQOQUVSNDBVSP-AWEZNQCLSA-N 1 0 343.387 1.524 20 5 EDBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000156352645 442471286 /nfs/dbraw/zinc/47/12/86/442471286.db2.gz BLRUYOKMMLLZOM-OCCSQVGLSA-N 1 0 348.403 1.722 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@@H]1CCOC1 ZINC000178783275 442484714 /nfs/dbraw/zinc/48/47/14/442484714.db2.gz MONRGALXOMNISR-LBPRGKRZSA-N 1 0 337.376 1.900 20 5 EDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000178978146 442542770 /nfs/dbraw/zinc/54/27/70/442542770.db2.gz UTNGELHLHYHTFO-CYBMUJFWSA-N 1 0 332.404 1.877 20 5 EDBDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000173279742 442640965 /nfs/dbraw/zinc/64/09/65/442640965.db2.gz HSDMHWUCBGJVBZ-QWRGUYRKSA-N 1 0 345.396 1.837 20 5 EDBDRO COc1cc(C(=O)N(C)CCC[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000182005122 442726985 /nfs/dbraw/zinc/72/69/85/442726985.db2.gz VHQNHFNLBUXPKF-UHFFFAOYSA-N 1 0 325.365 1.636 20 5 EDBDRO C[C@@H]1C[C@H](N(C)C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@@H+]1C ZINC000182146389 442739856 /nfs/dbraw/zinc/73/98/56/442739856.db2.gz YKEDJJDJWDVHJL-ZYHUDNBSSA-N 1 0 335.360 1.878 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000246685259 442802028 /nfs/dbraw/zinc/80/20/28/442802028.db2.gz MQNNZJDAOGJNFD-UNEWFSDZSA-N 1 0 336.388 1.835 20 5 EDBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000193647536 442763770 /nfs/dbraw/zinc/76/37/70/442763770.db2.gz KTVUDWMMTTWUSJ-BDJLRTHQSA-N 1 0 344.371 1.907 20 5 EDBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193740333 442777187 /nfs/dbraw/zinc/77/71/87/442777187.db2.gz JHVVHTVZWNZHOC-LBPRGKRZSA-N 1 0 336.392 1.793 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000246474627 442784424 /nfs/dbraw/zinc/78/44/24/442784424.db2.gz GDLXHCXAJDHUAW-QMTHXVAHSA-N 1 0 327.406 1.651 20 5 EDBDRO CN(CCCN1CC[NH+](C)CC1)c1ncc([N+](=O)[O-])cc1Cl ZINC000265586552 442834454 /nfs/dbraw/zinc/83/44/54/442834454.db2.gz XKUVUDYYWXZRLW-UHFFFAOYSA-N 1 0 327.816 1.717 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000268160601 442877196 /nfs/dbraw/zinc/87/71/96/442877196.db2.gz JFWPQKAHTDRNQX-QMTHXVAHSA-N 1 0 332.360 1.132 20 5 EDBDRO C[NH+](C)CCC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000194377403 442885949 /nfs/dbraw/zinc/88/59/49/442885949.db2.gz VBUJIRFHNDHULD-UHFFFAOYSA-N 1 0 341.433 1.947 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000268221749 442905805 /nfs/dbraw/zinc/90/58/05/442905805.db2.gz JMRBMBAVYPSWPX-WCQYABFASA-N 1 0 327.406 1.474 20 5 EDBDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000189406593 442943059 /nfs/dbraw/zinc/94/30/59/442943059.db2.gz UYOUORDNIBIMOZ-VXGBXAGGSA-N 1 0 336.392 1.768 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000265853832 442945840 /nfs/dbraw/zinc/94/58/40/442945840.db2.gz ZFPJOPOHMMBHMQ-NVXWUHKLSA-N 1 0 349.431 1.752 20 5 EDBDRO CCC[C@@]1(COC)CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000194928834 442969375 /nfs/dbraw/zinc/96/93/75/442969375.db2.gz XCLKCRSSVDUFTP-GJZGRUSLSA-N 1 0 326.397 1.433 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183872326 442972457 /nfs/dbraw/zinc/97/24/57/442972457.db2.gz QTOVTZJUCFXALQ-UHFFFAOYSA-N 1 0 343.387 1.364 20 5 EDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC1(O)CCOCC1 ZINC000189784311 443009710 /nfs/dbraw/zinc/00/97/10/443009710.db2.gz DKPLUJJDPMPOLI-GFCCVEGCSA-N 1 0 337.376 1.395 20 5 EDBDRO Cc1nc(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000268476412 443003385 /nfs/dbraw/zinc/00/33/85/443003385.db2.gz KKEZIHDQJHERFN-HNNXBMFYSA-N 1 0 333.436 1.905 20 5 EDBDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000184799104 443077859 /nfs/dbraw/zinc/07/78/59/443077859.db2.gz AGMBKNXXVSUMJP-LEWSCRJBSA-N 1 0 334.376 1.556 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](CCO)c2ccco2)c1 ZINC000185102764 443136290 /nfs/dbraw/zinc/13/62/90/443136290.db2.gz UDFZTKHNHFOXQI-ZFWWWQNUSA-N 1 0 336.344 1.641 20 5 EDBDRO CC[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000268844414 443124959 /nfs/dbraw/zinc/12/49/59/443124959.db2.gz BIICNXCEVQZITO-CVEARBPZSA-N 1 0 334.420 1.975 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])C[C@H]21 ZINC000261971196 443177565 /nfs/dbraw/zinc/17/75/65/443177565.db2.gz ZCLWHVBADUUQEI-HOSYDEDBSA-N 1 0 343.380 1.482 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000185194679 443158173 /nfs/dbraw/zinc/15/81/73/443158173.db2.gz FYKIZABRRVXAJA-KRWDZBQOSA-N 1 0 349.387 1.723 20 5 EDBDRO COc1cc(OCC(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000185197849 443159290 /nfs/dbraw/zinc/15/92/90/443159290.db2.gz WQFQVGQGUFLGAM-RAIGVLPGSA-N 1 0 335.360 1.178 20 5 EDBDRO CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245455327 443228884 /nfs/dbraw/zinc/22/88/84/443228884.db2.gz SKZVJFFIKLYYRX-QWHCGFSZSA-N 1 0 335.408 1.733 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000190870110 443200782 /nfs/dbraw/zinc/20/07/82/443200782.db2.gz ZFGIDCQOJUHPHZ-QWHCGFSZSA-N 1 0 339.392 1.295 20 5 EDBDRO Cn1ccc(N2CC[C@@H]([NH2+]C/C=C/c3ccccc3[N+](=O)[O-])C2=O)n1 ZINC000360093875 319117088 /nfs/dbraw/zinc/11/70/88/319117088.db2.gz WEHJYZIWAVFXAG-YVARQFDVSA-N 1 0 341.371 1.737 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000382476526 319124104 /nfs/dbraw/zinc/12/41/04/319124104.db2.gz DAZVLFNXGQTLEC-NXEZZACHSA-N 1 0 329.378 1.009 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000411899007 319211657 /nfs/dbraw/zinc/21/16/57/319211657.db2.gz ASZYGBSFNZHBTM-UHFFFAOYSA-N 1 0 339.392 1.690 20 5 EDBDRO CC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000412879513 319247538 /nfs/dbraw/zinc/24/75/38/319247538.db2.gz PHYVQANVIQWEGI-ZDUSSCGKSA-N 1 0 329.360 1.605 20 5 EDBDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000269327975 443283146 /nfs/dbraw/zinc/28/31/46/443283146.db2.gz ASSCQYMTDWJLAY-LLVKDONJSA-N 1 0 347.824 1.963 20 5 EDBDRO CC[N@@H+]1CCCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000269284563 443267074 /nfs/dbraw/zinc/26/70/74/443267074.db2.gz HSXAGJJWBWGUMR-UHFFFAOYSA-N 1 0 341.433 1.495 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272455933 443324792 /nfs/dbraw/zinc/32/47/92/443324792.db2.gz RBQMTZGBLYZELK-RISCZKNCSA-N 1 0 325.390 1.310 20 5 EDBDRO C[NH+](C)[C@@]1(CNC(=O)COc2cccc([N+](=O)[O-])c2)CCSC1 ZINC000267078851 443334776 /nfs/dbraw/zinc/33/47/76/443334776.db2.gz FYQRJPSVVYCPHP-OAHLLOKOSA-N 1 0 339.417 1.527 20 5 EDBDRO CCS(=O)(=O)NCCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282440022 443339048 /nfs/dbraw/zinc/33/90/48/443339048.db2.gz KXQCLQCLOGHVMH-UHFFFAOYSA-N 1 0 329.422 1.399 20 5 EDBDRO COC(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269658312 443383425 /nfs/dbraw/zinc/38/34/25/443383425.db2.gz NTXLOETZXRYXOG-LBPRGKRZSA-N 1 0 335.360 1.951 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000272617359 443384201 /nfs/dbraw/zinc/38/42/01/443384201.db2.gz XMSIJPLQPVIOML-GHMZBOCLSA-N 1 0 335.360 1.594 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000272617365 443384346 /nfs/dbraw/zinc/38/43/46/443384346.db2.gz XMSIJPLQPVIOML-QWRGUYRKSA-N 1 0 335.360 1.594 20 5 EDBDRO Cc1c(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000278518337 443350939 /nfs/dbraw/zinc/35/09/39/443350939.db2.gz CFYDKLJEHMXBGY-VXGBXAGGSA-N 1 0 336.392 1.822 20 5 EDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000269615665 443365324 /nfs/dbraw/zinc/36/53/24/443365324.db2.gz SCLIARPDXUQDQD-VXGBXAGGSA-N 1 0 335.408 1.998 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000267175506 443368447 /nfs/dbraw/zinc/36/84/47/443368447.db2.gz AUNMLFVSILOOFI-NSHDSACASA-N 1 0 342.421 1.020 20 5 EDBDRO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000423408344 319772677 /nfs/dbraw/zinc/77/26/77/319772677.db2.gz ADFZCKIWVFTLES-YRGRVCCFSA-N 1 0 333.392 1.391 20 5 EDBDRO Nc1nc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ncc1[N+](=O)[O-] ZINC000273078374 443532668 /nfs/dbraw/zinc/53/26/68/443532668.db2.gz GULVZNIRZRRBMX-CYBMUJFWSA-N 1 0 344.375 1.146 20 5 EDBDRO C[N@H+]1CC=C(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000272228761 443562676 /nfs/dbraw/zinc/56/26/76/443562676.db2.gz VILAYIFWQBWLHX-UHFFFAOYSA-N 1 0 333.373 1.591 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000272321460 443591071 /nfs/dbraw/zinc/59/10/71/443591071.db2.gz UDEURXYQUUASMV-GHMZBOCLSA-N 1 0 337.376 1.811 20 5 EDBDRO C[C@H]1C[C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000267851030 443597819 /nfs/dbraw/zinc/59/78/19/443597819.db2.gz FQCUUNLVKODIHU-VHSXEESVSA-N 1 0 340.405 1.279 20 5 EDBDRO COc1ccc(CNC(=O)c2csc(CC[NH3+])n2)cc1[N+](=O)[O-] ZINC000279909256 443639984 /nfs/dbraw/zinc/63/99/84/443639984.db2.gz ROASGXYAUZZAIJ-UHFFFAOYSA-N 1 0 336.373 1.491 20 5 EDBDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1O ZINC000272367029 443604989 /nfs/dbraw/zinc/60/49/89/443604989.db2.gz UABHGASHNOZHJJ-UKRRQHHQSA-N 1 0 335.404 1.923 20 5 EDBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000440069555 320061134 /nfs/dbraw/zinc/06/11/34/320061134.db2.gz HLMCRSRFZCLGEZ-LBPRGKRZSA-N 1 0 329.422 1.912 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H]1CCC[NH2+]1 ZINC000440808746 320080735 /nfs/dbraw/zinc/08/07/35/320080735.db2.gz RBUUOJRQKWIPOV-GFCCVEGCSA-N 1 0 327.406 1.578 20 5 EDBDRO C[NH+]1CCC(Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447804125 320145075 /nfs/dbraw/zinc/14/50/75/320145075.db2.gz WUNVCLFTFQCKDT-UHFFFAOYSA-N 1 0 334.420 1.933 20 5 EDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000449701881 320200009 /nfs/dbraw/zinc/20/00/09/320200009.db2.gz CPWSKRCYFXHMGY-YPMHNXCESA-N 1 0 339.417 1.570 20 5 EDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449756380 320205881 /nfs/dbraw/zinc/20/58/81/320205881.db2.gz VZZOIBJPJYIGGW-AWEZNQCLSA-N 1 0 329.360 1.651 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000492783614 320386231 /nfs/dbraw/zinc/38/62/31/320386231.db2.gz QMFNQTBZPCUTGK-KQLNYGGHSA-N 1 0 331.372 1.540 20 5 EDBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1C[NH3+] ZINC000519598056 320468195 /nfs/dbraw/zinc/46/81/95/320468195.db2.gz ZMZBKSLAEWAFHW-MXWKQRLJSA-N 1 0 335.360 1.769 20 5 EDBDRO C[N@H+](CCO)C1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000288149374 443786226 /nfs/dbraw/zinc/78/62/26/443786226.db2.gz ZDTBNGRUQTTXPT-UHFFFAOYSA-N 1 0 337.405 1.492 20 5 EDBDRO CCn1cnc2c(c1=O)CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000280979679 443787863 /nfs/dbraw/zinc/78/78/63/443787863.db2.gz LDBNWWYYFFFJNV-UHFFFAOYSA-N 1 0 328.372 1.772 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000285082104 443848332 /nfs/dbraw/zinc/84/83/32/443848332.db2.gz DAOCEGLXXSYBDA-UONOGXRCSA-N 1 0 339.779 1.793 20 5 EDBDRO COc1ccc(NC(=O)CN2CCC[C@@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000292985127 443895717 /nfs/dbraw/zinc/89/57/17/443895717.db2.gz BRPCZNZVXRUJOL-GFCCVEGCSA-N 1 0 337.376 1.636 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(CCCCF)CC1 ZINC000285323892 443941978 /nfs/dbraw/zinc/94/19/78/443941978.db2.gz WXHWIUPIQWALKQ-UHFFFAOYSA-N 1 0 345.396 1.651 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000277110204 443915604 /nfs/dbraw/zinc/91/56/04/443915604.db2.gz HDFKIZMAISFIBH-HNNXBMFYSA-N 1 0 346.431 1.900 20 5 EDBDRO COCC[N@@H+]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000299304127 444012149 /nfs/dbraw/zinc/01/21/49/444012149.db2.gz OULPYHHWKMNBLX-UHFFFAOYSA-N 1 0 336.392 1.187 20 5 EDBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293467108 444025642 /nfs/dbraw/zinc/02/56/42/444025642.db2.gz QJNNWOXPFDAKCT-OCCSQVGLSA-N 1 0 330.388 1.993 20 5 EDBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293467308 444026185 /nfs/dbraw/zinc/02/61/85/444026185.db2.gz QLMWPZIXSDZIEL-BLLLJJGKSA-N 1 0 341.371 1.605 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000277871263 444056246 /nfs/dbraw/zinc/05/62/46/444056246.db2.gz DNAOVVJYCWSCCD-MRXNPFEDSA-N 1 0 343.387 1.962 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000289145091 444063216 /nfs/dbraw/zinc/06/32/16/444063216.db2.gz SMPKVYQHIAICNX-UHFFFAOYSA-N 1 0 349.435 1.775 20 5 EDBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](C)C1 ZINC000285662807 444064364 /nfs/dbraw/zinc/06/43/64/444064364.db2.gz ZDYOTOWLRZLKLJ-RYUDHWBXSA-N 1 0 339.396 1.185 20 5 EDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000560447120 321028529 /nfs/dbraw/zinc/02/85/29/321028529.db2.gz MQHBJTZNBWBGKZ-GFCCVEGCSA-N 1 0 339.392 1.426 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000562800676 321076906 /nfs/dbraw/zinc/07/69/06/321076906.db2.gz OSXDAVHQXJOSOX-STQMWFEESA-N 1 0 334.376 1.225 20 5 EDBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000567685891 321252157 /nfs/dbraw/zinc/25/21/57/321252157.db2.gz PSCVTQANVQEMER-XBFCOCLRSA-N 1 0 326.397 1.336 20 5 EDBDRO Cn1ccnc1[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000571587363 321393351 /nfs/dbraw/zinc/39/33/51/321393351.db2.gz PUFZIOCEXKEDDB-KBPBESRZSA-N 1 0 346.387 1.558 20 5 EDBDRO Cn1cc([C@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[NH+](C)C)cn1 ZINC000301290218 444161217 /nfs/dbraw/zinc/16/12/17/444161217.db2.gz OSUYNMGSDVSBEK-AWEZNQCLSA-N 1 0 334.336 1.951 20 5 EDBDRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302257932 444210636 /nfs/dbraw/zinc/21/06/36/444210636.db2.gz ORBUSQVCDHKWNR-GFCCVEGCSA-N 1 0 333.396 1.075 20 5 EDBDRO COc1cc(NC[C@@H]2CN(C3CC3)CCO2)c([N+](=O)[O-])cc1OC ZINC000301868227 444194498 /nfs/dbraw/zinc/19/44/98/444194498.db2.gz CDRSCQHWDPUDFL-GFCCVEGCSA-N 1 0 337.376 1.887 20 5 EDBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000576508691 321572388 /nfs/dbraw/zinc/57/23/88/321572388.db2.gz RHMPHEQQJFSKOE-NSHDSACASA-N 1 0 335.360 1.628 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000305197256 444264540 /nfs/dbraw/zinc/26/45/40/444264540.db2.gz UMAYKWWVIDJZDW-QZTJIDSGSA-N 1 0 349.431 1.815 20 5 EDBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@@H](O)C1CC1 ZINC000305238147 444267124 /nfs/dbraw/zinc/26/71/24/444267124.db2.gz OSTSQYQHPDQFCC-CQSZACIVSA-N 1 0 335.360 1.596 20 5 EDBDRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000290033548 444233504 /nfs/dbraw/zinc/23/35/04/444233504.db2.gz UGUXTCSPRFTYFG-NSHDSACASA-N 1 0 347.331 1.204 20 5 EDBDRO [NH3+]CC12CCC(CC1)CN2C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000577407604 321650574 /nfs/dbraw/zinc/65/05/74/321650574.db2.gz UQSCDHIIQJRXLQ-UHFFFAOYSA-N 1 0 333.344 1.667 20 5 EDBDRO CC[NH+]1C[C@H](C)N(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H](C)C1 ZINC000577538760 321661666 /nfs/dbraw/zinc/66/16/66/321661666.db2.gz POXQFEVECPSOCU-QWRGUYRKSA-N 1 0 335.360 1.878 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000322383644 444339738 /nfs/dbraw/zinc/33/97/38/444339738.db2.gz HSFWMNFALOWGMF-CMPLNLGQSA-N 1 0 343.405 1.351 20 5 EDBDRO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000325079578 444361011 /nfs/dbraw/zinc/36/10/11/444361011.db2.gz YIJFLSPDKORCIU-JSGCOSHPSA-N 1 0 333.392 1.013 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)[NH2+]Cc2c[nH]c3nccnc23)cc1 ZINC000290827409 444327321 /nfs/dbraw/zinc/32/73/21/444327321.db2.gz HODHABNCTDGMCR-ZFWWWQNUSA-N 1 0 343.343 1.050 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC(CC[NH3+])CC2)c1C ZINC000320404233 444330191 /nfs/dbraw/zinc/33/01/91/444330191.db2.gz ATUSBLQNRJVYHO-UHFFFAOYSA-N 1 0 341.433 1.961 20 5 EDBDRO C[NH+](C)CCc1ccc(CNc2nccc(C(N)=O)c2[N+](=O)[O-])cc1 ZINC000290882418 444334409 /nfs/dbraw/zinc/33/44/09/444334409.db2.gz CCPJRMNNCRGQCW-UHFFFAOYSA-N 1 0 343.387 1.805 20 5 EDBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000298127028 444423444 /nfs/dbraw/zinc/42/34/44/444423444.db2.gz BGLQMQRTGHWIOC-LBPRGKRZSA-N 1 0 325.340 1.311 20 5 EDBDRO Cc1c(F)cc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000331080819 444385874 /nfs/dbraw/zinc/38/58/74/444385874.db2.gz XRPOWSBYJGXRLJ-NSHDSACASA-N 1 0 345.396 1.757 20 5 EDBDRO CC(C)[C@H](O)C(C)(C)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000580431687 322050373 /nfs/dbraw/zinc/05/03/73/322050373.db2.gz XIHCRFJAONVELT-CJNGLKHVSA-N 1 0 340.420 1.967 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000332348355 444511652 /nfs/dbraw/zinc/51/16/52/444511652.db2.gz YWABBUVAGRXVTE-OLZOCXBDSA-N 1 0 339.779 1.793 20 5 EDBDRO COc1ccc(C[NH2+][C@H](CCSC)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000342318608 444627304 /nfs/dbraw/zinc/62/73/04/444627304.db2.gz HMPFZDWUTKVROO-GFCCVEGCSA-N 1 0 341.433 1.903 20 5 EDBDRO Cc1c(C(=O)NCC[N@@H+](C)C(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000338418461 444682978 /nfs/dbraw/zinc/68/29/78/444682978.db2.gz BRTKWTWIHXJEHA-UHFFFAOYSA-N 1 0 346.391 1.554 20 5 EDBDRO C[C@H]1[C@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343976848 444704882 /nfs/dbraw/zinc/70/48/82/444704882.db2.gz JYCDIMMUTQZOPJ-GXTWGEPZSA-N 1 0 341.433 1.539 20 5 EDBDRO C[C@]1(CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC[NH2+]C1 ZINC000342760905 444853115 /nfs/dbraw/zinc/85/31/15/444853115.db2.gz WJARWJLUYYAAOA-KRWDZBQOSA-N 1 0 349.387 1.414 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(c3ncnc4sc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000338735478 444828682 /nfs/dbraw/zinc/82/86/82/444828682.db2.gz YOWJJMXCTNGQNO-VXGBXAGGSA-N 1 0 349.416 1.899 20 5 EDBDRO C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000339036795 445000412 /nfs/dbraw/zinc/00/04/12/445000412.db2.gz QLDBGNZLVYZMFF-CYBMUJFWSA-N 1 0 337.420 1.825 20 5 EDBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@H]1CCC[C@H]1O ZINC000339133705 445050091 /nfs/dbraw/zinc/05/00/91/445050091.db2.gz OEALTXWCTRCLAU-IUODEOHRSA-N 1 0 349.387 1.986 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C(=O)N1CCCC1 ZINC000343499143 445234503 /nfs/dbraw/zinc/23/45/03/445234503.db2.gz HKJVBJGMJGCFHX-OLZOCXBDSA-N 1 0 348.403 1.912 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCC[C@@H]2CCCO)cc1 ZINC000343527602 445238930 /nfs/dbraw/zinc/23/89/30/445238930.db2.gz KRKBECXIRWDLGR-CYBMUJFWSA-N 1 0 342.417 1.605 20 5 EDBDRO CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347884780 445253895 /nfs/dbraw/zinc/25/38/95/445253895.db2.gz DHTCIRPXEDJKFT-GFCCVEGCSA-N 1 0 347.371 1.675 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000354495319 445262486 /nfs/dbraw/zinc/26/24/86/445262486.db2.gz ULKDAPPINDYIIG-UHFFFAOYSA-N 1 0 348.403 1.650 20 5 EDBDRO COc1cc(C(=O)N(C)CC[NH+]2CCCC2)cc([N+](=O)[O-])c1OC ZINC000357128784 445443039 /nfs/dbraw/zinc/44/30/39/445443039.db2.gz GWLVWKDTQBRXOA-UHFFFAOYSA-N 1 0 337.376 1.780 20 5 EDBDRO C[C@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000356047994 445590084 /nfs/dbraw/zinc/59/00/84/445590084.db2.gz OVFODMOMJZTSPL-SMDDNHRTSA-N 1 0 346.387 1.603 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000358517991 445628589 /nfs/dbraw/zinc/62/85/89/445628589.db2.gz VJTMQJFQFQATIR-GXSJLCMTSA-N 1 0 343.767 1.202 20 5 EDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(N2CCN(C)CC2=O)CC1 ZINC000360634355 445718979 /nfs/dbraw/zinc/71/89/79/445718979.db2.gz CZQYFNATHKGNFY-CQSZACIVSA-N 1 0 346.431 1.894 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000360287906 445678219 /nfs/dbraw/zinc/67/82/19/445678219.db2.gz YQPZSRTUXKNDHD-UHFFFAOYSA-N 1 0 348.403 1.072 20 5 EDBDRO CC(C)[C@H]1CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000353623814 445680462 /nfs/dbraw/zinc/68/04/62/445680462.db2.gz SCBVMHSHFRHMPR-CHWSQXEVSA-N 1 0 341.433 1.897 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000349801262 445682454 /nfs/dbraw/zinc/68/24/54/445682454.db2.gz OASGHMDSAFMVMS-GFCCVEGCSA-N 1 0 329.422 1.910 20 5 EDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363325931 445766915 /nfs/dbraw/zinc/76/69/15/445766915.db2.gz MTWCKUFZVKCPNS-ZIAGYGMSSA-N 1 0 349.387 1.343 20 5 EDBDRO Cc1c(Br)c(N2C[C@@H]3C[NH2+]C[C@H]3C2)ncc1[N+](=O)[O-] ZINC000165832561 533707596 /nfs/dbraw/zinc/70/75/96/533707596.db2.gz JGLIIQWRXUMNKZ-IUCAKERBSA-N 1 0 327.182 1.716 20 5 EDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000353895433 445802966 /nfs/dbraw/zinc/80/29/66/445802966.db2.gz OLPAJCGHSRRLTC-UHFFFAOYSA-N 1 0 337.351 1.671 20 5 EDBDRO COc1cc(C(=O)NCCC[N@H+](C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000356521751 445839195 /nfs/dbraw/zinc/83/91/95/445839195.db2.gz KCUIILZUVRJOLB-UHFFFAOYSA-N 1 0 338.408 1.217 20 5 EDBDRO O=C(N1CC[C@@H]2CC[NH2+][C@H]2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000373057011 445998276 /nfs/dbraw/zinc/99/82/76/445998276.db2.gz NAPNLKWCNMHKEE-GWCFXTLKSA-N 1 0 325.315 1.897 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000354202974 445996098 /nfs/dbraw/zinc/99/60/98/445996098.db2.gz JPYHSWQOMNOCHC-BXUZGUMPSA-N 1 0 348.403 1.695 20 5 EDBDRO CC(C)[C@@H](O)C1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000583565057 326097062 /nfs/dbraw/zinc/09/70/62/326097062.db2.gz ONSVKCNXFFEWLS-CZUORRHYSA-N 1 0 338.404 1.721 20 5 EDBDRO C[NH2+]CCNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000584230948 326225045 /nfs/dbraw/zinc/22/50/45/326225045.db2.gz LISTZOQGPOWAJA-UHFFFAOYSA-N 1 0 349.128 1.149 20 5 EDBDRO C[C@H]1C[N@@H+](C2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000365356813 446165938 /nfs/dbraw/zinc/16/59/38/446165938.db2.gz IZUPMMUPIWBLBX-AWEZNQCLSA-N 1 0 347.415 1.849 20 5 EDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000362030303 446167470 /nfs/dbraw/zinc/16/74/70/446167470.db2.gz VXVWEDFXPHPABH-HRCADAONSA-N 1 0 349.387 1.484 20 5 EDBDRO CCO[C@H]1COCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000362011429 446150976 /nfs/dbraw/zinc/15/09/76/446150976.db2.gz FGMSXHAAMQQESH-CABCVRRESA-N 1 0 337.376 1.625 20 5 EDBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000365339695 446157100 /nfs/dbraw/zinc/15/71/00/446157100.db2.gz MHKIBFPVPPAQLS-INIZCTEOSA-N 1 0 332.404 1.447 20 5 EDBDRO Cc1nc[nH]c1CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000359519620 446272864 /nfs/dbraw/zinc/27/28/64/446272864.db2.gz WMWYTOLCMNCMNA-UHFFFAOYSA-N 1 0 332.316 1.256 20 5 EDBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000365709087 446310032 /nfs/dbraw/zinc/31/00/32/446310032.db2.gz CAAYLOMGIHGNCA-ILWJIGKKSA-N 1 0 345.808 1.891 20 5 EDBDRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)c1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000370580726 446341227 /nfs/dbraw/zinc/34/12/27/446341227.db2.gz WYHXBVCWLCATCQ-DOTOQJQBSA-N 1 0 347.371 1.710 20 5 EDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374254906 446359293 /nfs/dbraw/zinc/35/92/93/446359293.db2.gz GLAXCKMFIDFGCW-AWEZNQCLSA-N 1 0 333.436 1.903 20 5 EDBDRO CC(=O)c1cc(N2CCCN(CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000376220314 446388091 /nfs/dbraw/zinc/38/80/91/446388091.db2.gz QCPZFFYKDCPNLU-UHFFFAOYSA-N 1 0 334.420 1.871 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000420245478 446429136 /nfs/dbraw/zinc/42/91/36/446429136.db2.gz LXNCIGWCPBZUAS-GXTWGEPZSA-N 1 0 348.403 1.620 20 5 EDBDRO CC[C@H]([NH3+])CNc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] ZINC000420255351 446435030 /nfs/dbraw/zinc/43/50/30/446435030.db2.gz BCMNQBZCVNRJNH-NSHDSACASA-N 1 0 344.437 1.775 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418083280 446436714 /nfs/dbraw/zinc/43/67/14/446436714.db2.gz LBXAQYDJHYJLSO-QWRGUYRKSA-N 1 0 344.375 1.222 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CCC3(CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000420260479 446437162 /nfs/dbraw/zinc/43/71/62/446437162.db2.gz NLVPWLKGVMKZML-UHFFFAOYSA-N 1 0 334.376 1.665 20 5 EDBDRO CCN(CC)S(=O)(=O)c1ccc(N[C@@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000420262945 446438455 /nfs/dbraw/zinc/43/84/55/446438455.db2.gz NBFWQBGDDYLFKO-QWRGUYRKSA-N 1 0 344.437 1.773 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000370736580 446409491 /nfs/dbraw/zinc/40/94/91/446409491.db2.gz DTSBYJYUUMFLGB-STQMWFEESA-N 1 0 346.387 1.585 20 5 EDBDRO COc1ccc(NC(=O)CCN(C)[C@H](C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000420309706 446472783 /nfs/dbraw/zinc/47/27/83/446472783.db2.gz FGCRYYPXIYUJFO-OAHLLOKOSA-N 1 0 336.392 1.601 20 5 EDBDRO Cc1nc(CN(C)[C@H]2CCN(c3cc(N)ccc3[N+](=O)[O-])C2)no1 ZINC000367163311 446515809 /nfs/dbraw/zinc/51/58/09/446515809.db2.gz BTGLEEPCZRCGHA-LBPRGKRZSA-N 1 0 332.364 1.579 20 5 EDBDRO CCOC(=O)c1ccnc(N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000375049782 446544812 /nfs/dbraw/zinc/54/48/12/446544812.db2.gz OVDSNZLWSPBKDR-DGCLKSJQSA-N 1 0 334.376 1.697 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000423457828 446545167 /nfs/dbraw/zinc/54/51/67/446545167.db2.gz PJODHVVSCNSZSS-CQSZACIVSA-N 1 0 347.371 1.738 20 5 EDBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCSC1 ZINC000433207768 446546772 /nfs/dbraw/zinc/54/67/72/446546772.db2.gz SEFJYXFKMWYTAF-AWEZNQCLSA-N 1 0 341.433 1.601 20 5 EDBDRO C[C@H](CO)[N@@H+]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000367451677 446548877 /nfs/dbraw/zinc/54/88/77/446548877.db2.gz SHMBZZRIPSRVAK-LLVKDONJSA-N 1 0 347.375 1.137 20 5 EDBDRO COc1ccc(OCCN2CCCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420393733 446569144 /nfs/dbraw/zinc/56/91/44/446569144.db2.gz QVTKSYIRQPYWNN-ZDUSSCGKSA-N 1 0 325.365 1.032 20 5 EDBDRO [NH3+][C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000420403967 446576789 /nfs/dbraw/zinc/57/67/89/446576789.db2.gz LVAYODRVDFUGFY-MRVPVSSYSA-N 1 0 339.295 1.335 20 5 EDBDRO C[C@@H](C[S@@](C)=O)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411511327 446578393 /nfs/dbraw/zinc/57/83/93/446578393.db2.gz IVDLXNAGRXSQMD-KPWVOAKYSA-N 1 0 327.406 1.622 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000376566020 446581343 /nfs/dbraw/zinc/58/13/43/446581343.db2.gz RSDQETDFYDQAMN-ZFWWWQNUSA-N 1 0 349.435 1.883 20 5 EDBDRO C[C@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000420417125 446591600 /nfs/dbraw/zinc/59/16/00/446591600.db2.gz DDSBNIOWTHJLJU-WFASDCNBSA-N 1 0 341.433 1.526 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1CCO ZINC000411564183 446602171 /nfs/dbraw/zinc/60/21/71/446602171.db2.gz FCEWYIRCRVMGAC-GFCCVEGCSA-N 1 0 337.376 1.779 20 5 EDBDRO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420429559 446603792 /nfs/dbraw/zinc/60/37/92/446603792.db2.gz ZXQHJKVSWPUCQF-ZDUSSCGKSA-N 1 0 327.406 1.280 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000423619347 446609113 /nfs/dbraw/zinc/60/91/13/446609113.db2.gz VERGBHMWGLSVGZ-WDEREUQCSA-N 1 0 335.360 1.594 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c1C ZINC000420483471 446651714 /nfs/dbraw/zinc/65/17/14/446651714.db2.gz WOQWMCXPPTXVBN-DGCLKSJQSA-N 1 0 341.433 1.817 20 5 EDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000423722666 446660937 /nfs/dbraw/zinc/66/09/37/446660937.db2.gz KNUCQHLFYMQGPY-MRVPVSSYSA-N 1 0 341.331 1.523 20 5 EDBDRO COc1cc(S(=O)(=O)NC2(C)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000420450832 446627166 /nfs/dbraw/zinc/62/71/66/446627166.db2.gz PXKCKZYICLCJKH-UHFFFAOYSA-N 1 0 329.378 1.024 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420452562 446627959 /nfs/dbraw/zinc/62/79/59/446627959.db2.gz SUJBOWFVZLPUOO-ZYHUDNBSSA-N 1 0 327.406 1.563 20 5 EDBDRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420453814 446629484 /nfs/dbraw/zinc/62/94/84/446629484.db2.gz MKBUBFYHSQNRCN-OAHLLOKOSA-N 1 0 343.449 1.772 20 5 EDBDRO C[NH2+]CCC(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000423906823 446757742 /nfs/dbraw/zinc/75/77/42/446757742.db2.gz XMJXOTGYAWAIEL-UHFFFAOYSA-N 1 0 346.391 1.119 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412044956 446809494 /nfs/dbraw/zinc/80/94/94/446809494.db2.gz XOMYURFDEBQHTC-WCQYABFASA-N 1 0 337.376 1.635 20 5 EDBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000412067533 446828750 /nfs/dbraw/zinc/82/87/50/446828750.db2.gz DTXSBARSWLRTPT-CHWSQXEVSA-N 1 0 349.387 1.986 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423970702 446802072 /nfs/dbraw/zinc/80/20/72/446802072.db2.gz XHEREUVCKKQTNM-CZUORRHYSA-N 1 0 333.388 1.964 20 5 EDBDRO Cc1c(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)cccc1[N+](=O)[O-] ZINC000454193883 446803602 /nfs/dbraw/zinc/80/36/02/446803602.db2.gz FFZFFOXJNJITSB-CYBMUJFWSA-N 1 0 336.392 1.872 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1F ZINC000412234220 446908147 /nfs/dbraw/zinc/90/81/47/446908147.db2.gz YOJUZCDLOQNADX-MNOVXSKESA-N 1 0 339.367 1.836 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](CC3CCC3)CC2)n1 ZINC000412320829 446932873 /nfs/dbraw/zinc/93/28/73/446932873.db2.gz XGHRVZCXZWTSDQ-UHFFFAOYSA-N 1 0 335.408 1.759 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000419147682 446963361 /nfs/dbraw/zinc/96/33/61/446963361.db2.gz JGLFZHYHLHNTHH-OBJOEFQTSA-N 1 0 348.403 1.500 20 5 EDBDRO Cn1c(Sc2ncc([N+](=O)[O-])cc2F)nnc1[C@H]1CCC[NH2+]C1 ZINC000413150342 447034663 /nfs/dbraw/zinc/03/46/63/447034663.db2.gz UQBPZPKFAXKNPS-QMMMGPOBSA-N 1 0 338.368 1.876 20 5 EDBDRO O=[N+]([O-])c1c(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)nc2sccn21 ZINC000375771813 447036328 /nfs/dbraw/zinc/03/63/28/447036328.db2.gz KWHFDSGPRYACAV-QWRGUYRKSA-N 1 0 337.405 1.339 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000419268405 447044797 /nfs/dbraw/zinc/04/47/97/447044797.db2.gz KOYZGNJTEYLOHT-DYEKYZERSA-N 1 0 348.403 1.276 20 5 EDBDRO CN(CCC[NH+]1CCN(C)CC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444666959 447116280 /nfs/dbraw/zinc/11/62/80/447116280.db2.gz UAOLOTNXWNAZOJ-UHFFFAOYSA-N 1 0 346.435 1.540 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000377492368 447162652 /nfs/dbraw/zinc/16/26/52/447162652.db2.gz JKHOUNSZPFZGNQ-LBPRGKRZSA-N 1 0 334.376 1.429 20 5 EDBDRO CN(C(=O)CN1CCC[C@@H](n2ccnn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000425504398 447199137 /nfs/dbraw/zinc/19/91/37/447199137.db2.gz WELPPYIQSKUYME-OAHLLOKOSA-N 1 0 344.375 1.486 20 5 EDBDRO NC(=O)c1ccc(NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000368998045 447256066 /nfs/dbraw/zinc/25/60/66/447256066.db2.gz CXCPFSGTOKFDHS-UKRRQHHQSA-N 1 0 348.403 1.607 20 5 EDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(NC)n2)C[C@@H]1C ZINC000455742167 447218537 /nfs/dbraw/zinc/21/85/37/447218537.db2.gz YHPSMGMBZBLSMB-NWDGAFQWSA-N 1 0 335.408 1.976 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC000421707713 447228548 /nfs/dbraw/zinc/22/85/48/447228548.db2.gz YFVLHPHTIYYTLV-AWEZNQCLSA-N 1 0 349.387 1.938 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000421767481 447244053 /nfs/dbraw/zinc/24/40/53/447244053.db2.gz AVDXOAZYZAVMPT-UHFFFAOYSA-N 1 0 335.404 1.788 20 5 EDBDRO Cc1occc1C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000414299564 447288464 /nfs/dbraw/zinc/28/84/64/447288464.db2.gz JWAWEIZDMGWJOV-UHFFFAOYSA-N 1 0 339.373 1.564 20 5 EDBDRO CC(C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000380718228 447458999 /nfs/dbraw/zinc/45/89/99/447458999.db2.gz QJPDZNDTPFJNMR-SNVBAGLBSA-N 1 0 348.197 1.220 20 5 EDBDRO Cc1nc(N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000450421384 447485341 /nfs/dbraw/zinc/48/53/41/447485341.db2.gz SOFFXUVEUDXXPQ-GFCCVEGCSA-N 1 0 334.424 1.298 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000426941988 447519580 /nfs/dbraw/zinc/51/95/80/447519580.db2.gz GZZSWVQPVWATRR-CYBMUJFWSA-N 1 0 337.376 1.444 20 5 EDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000426976704 447523327 /nfs/dbraw/zinc/52/33/27/447523327.db2.gz YLDCZYXZJNUXNR-QWHCGFSZSA-N 1 0 338.412 1.306 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000450790366 447577997 /nfs/dbraw/zinc/57/79/97/447577997.db2.gz KETPNGQPDHQLQM-BETUJISGSA-N 1 0 349.387 1.965 20 5 EDBDRO C[C@@H](Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)[C@H]1CCC[NH2+]C1 ZINC000420162274 447647115 /nfs/dbraw/zinc/64/71/15/447647115.db2.gz KGOLUJJRVWBDQT-ZJUUUORDSA-N 1 0 328.394 1.042 20 5 EDBDRO [NH3+]CCCCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000420229414 447679525 /nfs/dbraw/zinc/67/95/25/447679525.db2.gz GTKDXCKQHSLSBM-UHFFFAOYSA-N 1 0 337.767 1.945 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1C[NH2+]C[C@@H]1O ZINC000420235502 447681486 /nfs/dbraw/zinc/68/14/86/447681486.db2.gz DUSTVWCZIBUCSG-HQJQHLMTSA-N 1 0 329.740 1.027 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)n1 ZINC000420240074 447682514 /nfs/dbraw/zinc/68/25/14/447682514.db2.gz JNAFRUWOTAQQBP-QWHCGFSZSA-N 1 0 342.355 1.708 20 5 EDBDRO C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000459646205 447730527 /nfs/dbraw/zinc/73/05/27/447730527.db2.gz RRJXZWCLUCVWPV-XJKSGUPXSA-N 1 0 333.392 1.548 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NC2(C[NH3+])CCCC2)ccc1[N+](=O)[O-] ZINC000422819242 447758654 /nfs/dbraw/zinc/75/86/54/447758654.db2.gz MOZBINJOVAZJBC-UHFFFAOYSA-N 1 0 334.376 1.021 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000431021409 447789654 /nfs/dbraw/zinc/78/96/54/447789654.db2.gz IZLUDTCLTPBUGS-UHFFFAOYSA-N 1 0 339.417 1.667 20 5 EDBDRO CC(C)[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000489310737 447853941 /nfs/dbraw/zinc/85/39/41/447853941.db2.gz DGIYAPOLIQRAOH-CQSZACIVSA-N 1 0 331.376 1.883 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000486929478 447826498 /nfs/dbraw/zinc/82/64/98/447826498.db2.gz DABQWFKGXMXUEH-VXGBXAGGSA-N 1 0 347.375 1.536 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCC2CC(O)C2)cc1 ZINC000575748143 447889566 /nfs/dbraw/zinc/88/95/66/447889566.db2.gz CODFVDVZKJKXFH-UHFFFAOYSA-N 1 0 328.390 1.119 20 5 EDBDRO CN(C[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000496928815 448045828 /nfs/dbraw/zinc/04/58/28/448045828.db2.gz WUKLUJXMQIGGSQ-CQSZACIVSA-N 1 0 339.392 1.912 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2C2(O)CC2)c1 ZINC000571381317 448144259 /nfs/dbraw/zinc/14/42/59/448144259.db2.gz BHWUMNNEYYRCNF-GOEBONIOSA-N 1 0 336.388 1.714 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000531823634 448153070 /nfs/dbraw/zinc/15/30/70/448153070.db2.gz KJKSTQQFXCUAPP-JOYOIKCWSA-N 1 0 333.344 1.536 20 5 EDBDRO Cc1ccc(NCCCNC(=O)NCC[NH2+]C2CC2)c([N+](=O)[O-])c1 ZINC000591352862 448336403 /nfs/dbraw/zinc/33/64/03/448336403.db2.gz KHIZQUOFEXYXKH-UHFFFAOYSA-N 1 0 335.408 1.756 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)c(C)cc1[N+](=O)[O-] ZINC000582916748 448379960 /nfs/dbraw/zinc/37/99/60/448379960.db2.gz WRGYBAGLKCQOAE-LBPRGKRZSA-N 1 0 327.406 1.490 20 5 EDBDRO C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@@H]1C[NH3+] ZINC000591676568 448445747 /nfs/dbraw/zinc/44/57/47/448445747.db2.gz XVLSRFWYWNRRRN-GXFFZTMASA-N 1 0 335.360 1.565 20 5 EDBDRO O=C1[C@@H]([N@@H+]2CC[C@@H]3OCC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000572717848 448446689 /nfs/dbraw/zinc/44/66/89/448446689.db2.gz GDCQFSTVUTWDAY-KCXAZCMYSA-N 1 0 331.372 1.811 20 5 EDBDRO COc1ccccc1[C@@H]([NH3+])CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000591681014 448449484 /nfs/dbraw/zinc/44/94/84/448449484.db2.gz MDANCXJCDNMOTQ-ZDUSSCGKSA-N 1 0 347.375 1.315 20 5 EDBDRO Cc1cccc2c1OC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000572954312 448503597 /nfs/dbraw/zinc/50/35/97/448503597.db2.gz PIXMQQGVPWPLDD-UKRRQHHQSA-N 1 0 332.360 1.054 20 5 EDBDRO CCc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000584719139 448608677 /nfs/dbraw/zinc/60/86/77/448608677.db2.gz APZHCBJSBIFFSX-DGCLKSJQSA-N 1 0 341.433 1.953 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCn2cnc3ccccc32)c1 ZINC000567680255 448735525 /nfs/dbraw/zinc/73/55/25/448735525.db2.gz UUZXHAPBHLIQLP-AWEZNQCLSA-N 1 0 344.375 1.182 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2SCCc3ccccc32)c1 ZINC000519141927 448745465 /nfs/dbraw/zinc/74/54/65/448745465.db2.gz TXFMVNHTNIQNLL-GOEBONIOSA-N 1 0 348.428 1.772 20 5 EDBDRO CC(C)[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH2+]1 ZINC000592241940 448759669 /nfs/dbraw/zinc/75/96/69/448759669.db2.gz MASAHVBPFYJLRC-MRXNPFEDSA-N 1 0 343.387 1.851 20 5 EDBDRO CS(=O)(=O)c1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)c([N+](=O)[O-])c1 ZINC000592356383 448804461 /nfs/dbraw/zinc/80/44/61/448804461.db2.gz SPNPAXWSTSBYQM-JTQLQIEISA-N 1 0 338.345 1.473 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1ncn(C)n1 ZINC000592394663 448822138 /nfs/dbraw/zinc/82/21/38/448822138.db2.gz QCHOXHFHCHZMEC-LBPRGKRZSA-N 1 0 346.391 1.663 20 5 EDBDRO COCC[NH2+]C1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000568149793 448822238 /nfs/dbraw/zinc/82/22/38/448822238.db2.gz ZTKZBEURRIKABQ-UHFFFAOYSA-N 1 0 337.376 1.201 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2ccc(CO)cc2)c1 ZINC000592430096 448831552 /nfs/dbraw/zinc/83/15/52/448831552.db2.gz BVMDPUXDCQLQTL-KRWDZBQOSA-N 1 0 346.383 1.659 20 5 EDBDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(C)C ZINC000592432742 448834158 /nfs/dbraw/zinc/83/41/58/448834158.db2.gz UQTMGESNWONIIJ-GJZGRUSLSA-N 1 0 344.433 1.754 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000592486512 448856958 /nfs/dbraw/zinc/85/69/58/448856958.db2.gz HZDHKFRAQJBUIF-JSGCOSHPSA-N 1 0 338.383 1.864 20 5 EDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000592523815 448877455 /nfs/dbraw/zinc/87/74/55/448877455.db2.gz QXCPHTPAKZRXRP-LLVKDONJSA-N 1 0 340.811 1.800 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(CCC[N@@H+]3C)CC2)n1 ZINC000588011374 448857691 /nfs/dbraw/zinc/85/76/91/448857691.db2.gz CPWDAMNLPRWZLH-UHFFFAOYSA-N 1 0 334.376 1.841 20 5 EDBDRO COC(=O)c1cc(C)nc(NCC23CCC[NH+]2CCC3)c1[N+](=O)[O-] ZINC000588036843 448862076 /nfs/dbraw/zinc/86/20/76/448862076.db2.gz LLIMJHUCFZOVOK-UHFFFAOYSA-N 1 0 334.376 2.125 20 5 EDBDRO C[C@@H](CCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000592555290 448898289 /nfs/dbraw/zinc/89/82/89/448898289.db2.gz VDJNMLNTAHYWGV-QWRGUYRKSA-N 1 0 338.364 1.036 20 5 EDBDRO O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000520806564 448931947 /nfs/dbraw/zinc/93/19/47/448931947.db2.gz WFVTURDXRMPEIU-AWEZNQCLSA-N 1 0 340.286 1.047 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000588814228 448933789 /nfs/dbraw/zinc/93/37/89/448933789.db2.gz UUDXPABACQXJFG-AWEZNQCLSA-N 1 0 337.424 1.811 20 5 EDBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000521267685 448968913 /nfs/dbraw/zinc/96/89/13/448968913.db2.gz WIHCPGGBBPKQNC-RYUDHWBXSA-N 1 0 327.768 1.936 20 5 EDBDRO Cc1c(C(=O)N[C@H](C)C[C@H](C)[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000521629378 449003312 /nfs/dbraw/zinc/00/33/12/449003312.db2.gz VWFQJGOVAKTQND-VHSXEESVSA-N 1 0 332.364 1.340 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](CO)C2CCC2)cc1 ZINC000595616380 449082069 /nfs/dbraw/zinc/08/20/69/449082069.db2.gz NDNCWKPEJVVGER-AWEZNQCLSA-N 1 0 328.390 1.119 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000548384158 449037434 /nfs/dbraw/zinc/03/74/34/449037434.db2.gz JZEZENJECOVYTJ-CYBMUJFWSA-N 1 0 347.350 1.744 20 5 EDBDRO C[C@@H](CS(C)(=O)=O)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000575213858 449063112 /nfs/dbraw/zinc/06/31/12/449063112.db2.gz NTKZCQCYGVVJAP-JTQLQIEISA-N 1 0 325.390 1.641 20 5 EDBDRO C[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1CCO ZINC000595706089 449126410 /nfs/dbraw/zinc/12/64/10/449126410.db2.gz XJRHGBFZEDGQBT-XJKSGUPXSA-N 1 0 347.415 1.967 20 5 EDBDRO C[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCc2ccccc21 ZINC000593096426 449132543 /nfs/dbraw/zinc/13/25/43/449132543.db2.gz SIFKBYAMOGCWQH-BBRMVZONSA-N 1 0 330.388 1.814 20 5 EDBDRO COc1ccc(CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000599909314 449105925 /nfs/dbraw/zinc/10/59/25/449105925.db2.gz XTRCMABZWKTQQM-CALCHBBNSA-N 1 0 348.403 1.744 20 5 EDBDRO O=C(C[N@H+]1CC[C@H](O)C12CCCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000590122750 449109422 /nfs/dbraw/zinc/10/94/22/449109422.db2.gz LSYYPGLFDHPOHI-INIZCTEOSA-N 1 0 345.399 1.863 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000597854618 449125078 /nfs/dbraw/zinc/12/50/78/449125078.db2.gz KCQHUVWPXICFAY-GFCCVEGCSA-N 1 0 337.424 1.763 20 5 EDBDRO CCN(C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000597944979 449154091 /nfs/dbraw/zinc/15/40/91/449154091.db2.gz FRIWYDODASOIEB-WFASDCNBSA-N 1 0 348.403 1.266 20 5 EDBDRO C[C@H]1C[NH+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H](C)C1O ZINC000595737460 449140007 /nfs/dbraw/zinc/14/00/07/449140007.db2.gz CMEFWUPLPQNLDU-RYUDHWBXSA-N 1 0 349.387 1.842 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c1C ZINC000590589871 449204851 /nfs/dbraw/zinc/20/48/51/449204851.db2.gz RUCBWKMKKGKVBA-OLZOCXBDSA-N 1 0 341.433 1.925 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000590590592 449206179 /nfs/dbraw/zinc/20/61/79/449206179.db2.gz ZNIDLESFDXAXHM-ZYHUDNBSSA-N 1 0 343.405 1.317 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c1C ZINC000590590602 449206468 /nfs/dbraw/zinc/20/64/68/449206468.db2.gz ZRFLXFGRRGJTGF-JSGCOSHPSA-N 1 0 341.433 1.925 20 5 EDBDRO O=C(C[N@@H+]1CC[C@@H]2COC[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595826946 449190761 /nfs/dbraw/zinc/19/07/61/449190761.db2.gz BGKUXBYLWPRMNU-ZIAGYGMSSA-N 1 0 331.372 1.452 20 5 EDBDRO CCOc1cc(C(=O)N[C@H]2CC[NH2+]C2(C)C)c([N+](=O)[O-])cc1OC ZINC000590663583 449236955 /nfs/dbraw/zinc/23/69/55/449236955.db2.gz HJIHMHHDVQPHQN-AWEZNQCLSA-N 1 0 337.376 1.872 20 5 EDBDRO CNc1nccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000600230284 449256064 /nfs/dbraw/zinc/25/60/64/449256064.db2.gz QAYWDCUPIHCPDV-ZDUSSCGKSA-N 1 0 347.419 2.168 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCCS(=O)(=O)CC2)cc1 ZINC000602002850 449271324 /nfs/dbraw/zinc/27/13/24/449271324.db2.gz BMYJRYGDLFAERG-LBPRGKRZSA-N 1 0 328.390 1.531 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC1([NH3+])CCCC1 ZINC000595966408 449286564 /nfs/dbraw/zinc/28/65/64/449286564.db2.gz FFWALHQIDGPGJB-NSHDSACASA-N 1 0 334.376 1.101 20 5 EDBDRO C[NH2+]C[C@H](C)NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000595984091 449297162 /nfs/dbraw/zinc/29/71/62/449297162.db2.gz UUWWYTRTJSPKTB-JTQLQIEISA-N 1 0 327.406 1.561 20 5 EDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000595991381 449300597 /nfs/dbraw/zinc/30/05/97/449300597.db2.gz HUWSXSKIWSCLGP-OTYXRUKQSA-N 1 0 327.768 1.884 20 5 EDBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCCCC1 ZINC000593525206 449323989 /nfs/dbraw/zinc/32/39/89/449323989.db2.gz LXAHKSVXMGUPAS-UHFFFAOYSA-N 1 0 342.421 1.533 20 5 EDBDRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593525817 449324820 /nfs/dbraw/zinc/32/48/20/449324820.db2.gz KWEGVSSDIMVLNY-GFCCVEGCSA-N 1 0 342.421 1.533 20 5 EDBDRO Cc1ccc(NCCCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)c([N+](=O)[O-])c1 ZINC000593908838 449279911 /nfs/dbraw/zinc/27/99/11/449279911.db2.gz GEVXDGHSFDOFJK-GUYCJALGSA-N 1 0 348.403 1.057 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc([N+](=O)[O-])c1 ZINC000593915974 449283637 /nfs/dbraw/zinc/28/36/37/449283637.db2.gz MRUFDOHSZINVIV-IAQYHMDHSA-N 1 0 349.387 1.971 20 5 EDBDRO CO[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000596066837 449345466 /nfs/dbraw/zinc/34/54/66/449345466.db2.gz SOBWZFVBCOKECD-HUUCEWRRSA-N 1 0 326.397 1.337 20 5 EDBDRO Cc1cc(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c([N+](=O)[O-])s1 ZINC000596103320 449363248 /nfs/dbraw/zinc/36/32/48/449363248.db2.gz FFZQBAUHFKZZSZ-NSHDSACASA-N 1 0 326.422 1.964 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)nc1 ZINC000593544122 449337079 /nfs/dbraw/zinc/33/70/79/449337079.db2.gz QOVIQTNEGLNXEE-CYBMUJFWSA-N 1 0 340.405 1.239 20 5 EDBDRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000596050061 449337299 /nfs/dbraw/zinc/33/72/99/449337299.db2.gz HXPVLOWJFOXAKJ-VIFPVBQESA-N 1 0 327.284 1.105 20 5 EDBDRO CN1CC[NH+](CCCCNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611700988 449388472 /nfs/dbraw/zinc/38/84/72/449388472.db2.gz LOPYLRVOKZHWBY-UHFFFAOYSA-N 1 0 344.419 1.978 20 5 EDBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000598546340 449459142 /nfs/dbraw/zinc/45/91/42/449459142.db2.gz UHTCBHHWWJKKJH-NSHDSACASA-N 1 0 327.406 1.839 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598605245 449488804 /nfs/dbraw/zinc/48/88/04/449488804.db2.gz BBTKVBGIUOFMAA-AAEUAGOBSA-N 1 0 341.433 1.973 20 5 EDBDRO C[NH2+]CC1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000598665692 449527858 /nfs/dbraw/zinc/52/78/58/449527858.db2.gz XUTPTJPKDZXJPJ-UHFFFAOYSA-N 1 0 349.391 1.174 20 5 EDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598668403 449529570 /nfs/dbraw/zinc/52/95/70/449529570.db2.gz OEOJCMAGBWMVJM-GHMZBOCLSA-N 1 0 335.364 1.055 20 5 EDBDRO COc1cc(OCC(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)ccc1[N+](=O)[O-] ZINC000598669613 449530706 /nfs/dbraw/zinc/53/07/06/449530706.db2.gz JVCZNPOJTFKTHD-BZNIZROVSA-N 1 0 335.360 1.322 20 5 EDBDRO O=C1[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C1CCC1 ZINC000600761272 449537533 /nfs/dbraw/zinc/53/75/33/449537533.db2.gz ODENTGIWKIFQJZ-ZBFHGGJFSA-N 1 0 349.387 1.078 20 5 EDBDRO COC(=O)COc1ccc(CN[C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600778276 449544263 /nfs/dbraw/zinc/54/42/63/449544263.db2.gz XORMJITVWNBVGX-AAEUAGOBSA-N 1 0 337.376 1.377 20 5 EDBDRO Cc1ccc([C@H](C)NCc2cn([C@@H]3CC[NH2+]C3)nn2)cc1[N+](=O)[O-] ZINC000600712705 449510746 /nfs/dbraw/zinc/51/07/46/449510746.db2.gz ZRRPDWYYRPMVJX-SWLSCSKDSA-N 1 0 330.392 1.880 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC2(C)CC[NH2+]CC2)c(C)c1[N+](=O)[O-] ZINC000598714747 449559118 /nfs/dbraw/zinc/55/91/18/449559118.db2.gz KBFTXLPDIMWKLE-UHFFFAOYSA-N 1 0 341.433 1.880 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000598716217 449559980 /nfs/dbraw/zinc/55/99/80/449559980.db2.gz BHUUICFAVLWLPD-LBPRGKRZSA-N 1 0 327.406 1.490 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC2=CC[NH2+]CC2)c(C)c1[N+](=O)[O-] ZINC000598715330 449559999 /nfs/dbraw/zinc/55/99/99/449559999.db2.gz ONJLKGZQSXPFBZ-UHFFFAOYSA-N 1 0 325.390 1.410 20 5 EDBDRO [NH3+]C[C@@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(F)(F)F ZINC000594525974 449562127 /nfs/dbraw/zinc/56/21/27/449562127.db2.gz ZGHIRVHKLJGYEX-SECBINFHSA-N 1 0 346.269 1.160 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000594591781 449586822 /nfs/dbraw/zinc/58/68/22/449586822.db2.gz KOEYDQWOCMTMDC-PHIMTYICSA-N 1 0 327.406 1.750 20 5 EDBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000598781163 449598442 /nfs/dbraw/zinc/59/84/42/449598442.db2.gz ZWJFPWGPSCNENF-UHFFFAOYSA-N 1 0 334.376 1.547 20 5 EDBDRO CC(C)(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000602474805 449619390 /nfs/dbraw/zinc/61/93/90/449619390.db2.gz SHAHKDDHISWDCB-CQSZACIVSA-N 1 0 349.435 1.587 20 5 EDBDRO C[NH2+]CCOCCN(C)C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000602547478 449666793 /nfs/dbraw/zinc/66/67/93/449666793.db2.gz ZAEFOTUCSGSXHR-UHFFFAOYSA-N 1 0 325.365 1.220 20 5 EDBDRO CN1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1=O ZINC000602553377 449668978 /nfs/dbraw/zinc/66/89/78/449668978.db2.gz SWPUGTJIFGRPPR-ZDUSSCGKSA-N 1 0 333.392 1.169 20 5 EDBDRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])C(C)(C)C ZINC000594754006 449669354 /nfs/dbraw/zinc/66/93/54/449669354.db2.gz OKBWEHQXMGADMW-GFCCVEGCSA-N 1 0 344.437 1.635 20 5 EDBDRO COC[C@@]1(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCC[NH2+]1 ZINC000602493611 449630969 /nfs/dbraw/zinc/63/09/69/449630969.db2.gz XYOCVJSFFSOAJT-KRWDZBQOSA-N 1 0 347.415 1.901 20 5 EDBDRO CC[C@@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000598905515 449641489 /nfs/dbraw/zinc/64/14/89/449641489.db2.gz FUZKTXDQIUQEJO-NWDGAFQWSA-N 1 0 349.391 1.315 20 5 EDBDRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000599106940 449739671 /nfs/dbraw/zinc/73/96/71/449739671.db2.gz IYNQGMVKBLVUSM-UHFFFAOYSA-N 1 0 345.421 1.068 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000599104828 449736483 /nfs/dbraw/zinc/73/64/83/449736483.db2.gz OIRLYJFGWJVKHU-ZJUUUORDSA-N 1 0 329.378 1.022 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599104832 449736999 /nfs/dbraw/zinc/73/69/99/449736999.db2.gz ONSCABHAISLLGP-WPRPVWTQSA-N 1 0 347.824 1.975 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCc1cccc2c1CC[NH2+]C2 ZINC000602584765 449688694 /nfs/dbraw/zinc/68/86/94/449688694.db2.gz KIBQNLDKVVVZLF-UHFFFAOYSA-N 1 0 340.383 1.969 20 5 EDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594778315 449690673 /nfs/dbraw/zinc/69/06/73/449690673.db2.gz HGXMPYBJPCQXKC-VXGBXAGGSA-N 1 0 340.405 1.237 20 5 EDBDRO CCOc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])cc1OC ZINC000602592815 449692820 /nfs/dbraw/zinc/69/28/20/449692820.db2.gz UTAIEBLVARPHPR-PHIMTYICSA-N 1 0 335.360 1.579 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599108494 449740975 /nfs/dbraw/zinc/74/09/75/449740975.db2.gz UCGCTZSLHFPQBP-LBPRGKRZSA-N 1 0 345.808 1.811 20 5 EDBDRO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H](O)C(F)F ZINC000602678196 449745967 /nfs/dbraw/zinc/74/59/67/449745967.db2.gz JPABMKYZBRWMKQ-JSGCOSHPSA-N 1 0 344.362 1.953 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000601210930 449753951 /nfs/dbraw/zinc/75/39/51/449753951.db2.gz WQZLLYIYRPGSIK-UKRRQHHQSA-N 1 0 327.388 2.565 20 5 EDBDRO Cc1cncc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000602718053 449766406 /nfs/dbraw/zinc/76/64/06/449766406.db2.gz ORNMTXZEALJRKH-UHFFFAOYSA-N 1 0 342.403 1.889 20 5 EDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601297485 449807785 /nfs/dbraw/zinc/80/77/85/449807785.db2.gz AOYZWZABZYAELU-LLVKDONJSA-N 1 0 327.356 1.821 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000602810450 449825391 /nfs/dbraw/zinc/82/53/91/449825391.db2.gz FVZGOPGXIVPOHH-SNVBAGLBSA-N 1 0 349.313 1.100 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3CN(C)C[C@H]32)c([N+](=O)[O-])s1 ZINC000601419803 449935724 /nfs/dbraw/zinc/93/57/24/449935724.db2.gz OBGDSJYKPKUHSA-NXEZZACHSA-N 1 0 331.419 1.289 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1C ZINC000601421341 449938374 /nfs/dbraw/zinc/93/83/74/449938374.db2.gz FFJQIZQDUVXIHT-QWHCGFSZSA-N 1 0 341.433 1.925 20 5 EDBDRO [NH3+][C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1c1ccccc1 ZINC000595219869 449956092 /nfs/dbraw/zinc/95/60/92/449956092.db2.gz AMPNIUBZYYFGMH-HZPDHXFCSA-N 1 0 343.387 1.525 20 5 EDBDRO C[C@@]1(CO)C[C@@H](O)CN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000602899756 449905920 /nfs/dbraw/zinc/90/59/20/449905920.db2.gz RQTMBEPRBJKICR-YPMHNXCESA-N 1 0 334.294 1.931 20 5 EDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000602960177 449960365 /nfs/dbraw/zinc/96/03/65/449960365.db2.gz JQVMAEZZDGAVTQ-STQMWFEESA-N 1 0 333.392 1.811 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(CCO)(CCO)CC2)cc1 ZINC000602966978 449970165 /nfs/dbraw/zinc/97/01/65/449970165.db2.gz YGNXHBNCLRQIED-UHFFFAOYSA-N 1 0 338.404 1.821 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000595258712 449981772 /nfs/dbraw/zinc/98/17/72/449981772.db2.gz WDGHPPNRSZXLOR-OAHLLOKOSA-N 1 0 330.344 1.847 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601467909 449991471 /nfs/dbraw/zinc/99/14/71/449991471.db2.gz ADZQVJDUYRMQIB-JTQLQIEISA-N 1 0 333.435 1.727 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000609269080 449995201 /nfs/dbraw/zinc/99/52/01/449995201.db2.gz KUHJPRKVYSVNJV-CYBMUJFWSA-N 1 0 337.376 1.201 20 5 EDBDRO COC(=O)[C@@]1(OC)CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000599565043 450064054 /nfs/dbraw/zinc/06/40/54/450064054.db2.gz YFLGWFJZSSXYDJ-MRXNPFEDSA-N 1 0 338.360 1.628 20 5 EDBDRO COc1ccc(CC(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000601559650 450072613 /nfs/dbraw/zinc/07/26/13/450072613.db2.gz VMANGFHBWHHRHN-UONOGXRCSA-N 1 0 333.388 1.746 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000597585177 450128058 /nfs/dbraw/zinc/12/80/58/450128058.db2.gz HSVROVHNHGMCQG-KRWDZBQOSA-N 1 0 335.404 1.740 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC000603142713 450090508 /nfs/dbraw/zinc/09/05/08/450090508.db2.gz NRKYGHZZZOKBHV-CYBMUJFWSA-N 1 0 337.424 1.679 20 5 EDBDRO C[NH+](C)[C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@@H]1O ZINC000601591370 450097779 /nfs/dbraw/zinc/09/77/79/450097779.db2.gz IJQHRKQXDOEGKF-GJZGRUSLSA-N 1 0 333.388 1.150 20 5 EDBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000599625721 450111468 /nfs/dbraw/zinc/11/14/68/450111468.db2.gz NBIXJIJBGRFMRG-UZTWBRENSA-N 1 0 333.388 1.885 20 5 EDBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595447581 450148296 /nfs/dbraw/zinc/14/82/96/450148296.db2.gz NUGQUMVJDDXXDL-OAHLLOKOSA-N 1 0 348.403 1.647 20 5 EDBDRO Cc1ccc(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000599693774 450157388 /nfs/dbraw/zinc/15/73/88/450157388.db2.gz CPRFILZQJFUNHW-ZDUSSCGKSA-N 1 0 349.391 1.365 20 5 EDBDRO C[C@@H]1CN(CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C[C@@H](C)O1 ZINC000595481077 450173350 /nfs/dbraw/zinc/17/33/50/450173350.db2.gz NVNBXJAZDKPONG-ZIAGYGMSSA-N 1 0 337.424 1.537 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000601740600 450205248 /nfs/dbraw/zinc/20/52/48/450205248.db2.gz VUCSFLHUYAHVCH-UHFFFAOYSA-N 1 0 349.435 1.967 20 5 EDBDRO CC[N@@H+]1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000595536387 450215033 /nfs/dbraw/zinc/21/50/33/450215033.db2.gz REUOCTTYTNVRMC-CQSZACIVSA-N 1 0 346.431 1.900 20 5 EDBDRO CC(C)c1n[nH]c(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597716983 450216973 /nfs/dbraw/zinc/21/69/73/450216973.db2.gz VCXLDVBLYREOII-INIZCTEOSA-N 1 0 335.408 1.999 20 5 EDBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@H](O)C[C@H](O)C1 ZINC000610614594 450273353 /nfs/dbraw/zinc/27/33/53/450273353.db2.gz BYROVBLJFUIMNF-TVYUQYBPSA-N 1 0 334.332 1.133 20 5 EDBDRO CCn1cnnc1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000618571904 450249179 /nfs/dbraw/zinc/24/91/79/450249179.db2.gz OGFPWFFKYMMUKW-OLZOCXBDSA-N 1 0 333.396 1.719 20 5 EDBDRO CCC[C@H]([NH2+]CC(=O)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610805634 450341619 /nfs/dbraw/zinc/34/16/19/450341619.db2.gz PCMZXRBFTMXGDP-INIZCTEOSA-N 1 0 334.420 1.800 20 5 EDBDRO CCN(CC)C(=O)CN1CCCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000603848332 450358217 /nfs/dbraw/zinc/35/82/17/450358217.db2.gz MIRJNNPNFBIIRA-UHFFFAOYSA-N 1 0 335.408 1.370 20 5 EDBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000603910134 450376387 /nfs/dbraw/zinc/37/63/87/450376387.db2.gz JWEUHTKGKKWPGU-WXHSDQCUSA-N 1 0 329.360 1.857 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC[C@H](C)[N@@H+]1C ZINC000619581415 450512080 /nfs/dbraw/zinc/51/20/80/450512080.db2.gz DCZBJZQZBWCAAO-ZOWXZIJZSA-N 1 0 348.403 1.312 20 5 EDBDRO C[C@]1(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000230733948 486101158 /nfs/dbraw/zinc/10/11/58/486101158.db2.gz PQIKXXOMMFZLLZ-LBPRGKRZSA-N 1 0 328.166 1.839 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599104843 490999266 /nfs/dbraw/zinc/99/92/66/490999266.db2.gz OQXXJZDOEJZWSM-VHSXEESVSA-N 1 0 329.378 1.022 20 5 EDBDRO Cc1c(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000153901077 533772540 /nfs/dbraw/zinc/77/25/40/533772540.db2.gz PCACQNWJCNAUBF-GHMZBOCLSA-N 1 0 344.375 1.306 20 5 EDBDRO COc1cc(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184201780 533811478 /nfs/dbraw/zinc/81/14/78/533811478.db2.gz WMDZTVNIMGSJSS-NWDGAFQWSA-N 1 0 341.383 1.629 20 5 EDBDRO C[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000184404302 534069649 /nfs/dbraw/zinc/06/96/49/534069649.db2.gz QBXVAUZEPZFSFK-NSHDSACASA-N 1 0 327.406 1.497 20 5 EDBDRO [NH3+][C@H]1C[C@H]2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CCN2C1=O ZINC000579252682 518197817 /nfs/dbraw/zinc/19/78/17/518197817.db2.gz AHMNVTQQINTNLN-UWVGGRQHSA-N 1 0 344.293 1.362 20 5 EDBDRO [NH3+]C1(CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCCCC1 ZINC000159461271 534547580 /nfs/dbraw/zinc/54/75/80/534547580.db2.gz MWSGTVYSLQPHHW-UHFFFAOYSA-N 1 0 344.375 1.567 20 5 EDBDRO CC[C@@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000188660013 522770922 /nfs/dbraw/zinc/77/09/22/522770922.db2.gz RTXLGGPZKNPXKB-CYBMUJFWSA-N 1 0 329.360 1.845 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000181102263 534739550 /nfs/dbraw/zinc/73/95/50/534739550.db2.gz BVSYAROWVZSNNP-UHFFFAOYSA-N 1 0 348.403 1.361 20 5 EDBDRO COC(=O)[C@@H](C)C[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000247111493 536438477 /nfs/dbraw/zinc/43/84/77/536438477.db2.gz YCNNTYYAGHGGRG-FZMZJTMJSA-N 1 0 335.360 1.441 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000237319000 536465520 /nfs/dbraw/zinc/46/55/20/536465520.db2.gz OFJWQIYLEJOSEH-GFCCVEGCSA-N 1 0 327.406 1.523 20 5 EDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000248752414 536473565 /nfs/dbraw/zinc/47/35/65/536473565.db2.gz VDKSZPNNVYDETC-SWLSCSKDSA-N 1 0 339.417 1.700 20 5 EDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000176890652 528037288 /nfs/dbraw/zinc/03/72/88/528037288.db2.gz ZZBNNRFGCTXJGP-CYBMUJFWSA-N 1 0 339.392 1.690 20 5 EDBDRO CCC([NH3+])(CC)CNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000160457854 528925273 /nfs/dbraw/zinc/92/52/73/528925273.db2.gz RQPGLEXVATWZEM-UHFFFAOYSA-N 1 0 325.365 1.616 20 5 EDBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000184403605 529148104 /nfs/dbraw/zinc/14/81/04/529148104.db2.gz HZAPAXWRFOQRBJ-CYBMUJFWSA-N 1 0 349.435 1.180 20 5 EDBDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCCC2 ZINC000347707350 535408941 /nfs/dbraw/zinc/40/89/41/535408941.db2.gz MUYJNRDUECPQKN-RRFJBIMHSA-N 1 0 338.408 1.480 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248185171 536377675 /nfs/dbraw/zinc/37/76/75/536377675.db2.gz XEXIZMDLJAJVFM-CZUORRHYSA-N 1 0 333.388 1.916 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000261777365 536867708 /nfs/dbraw/zinc/86/77/08/536867708.db2.gz RNYWFTNPYBBRNR-LLVKDONJSA-N 1 0 343.405 1.353 20 5 EDBDRO COCCC[N@H+](C)CCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000741503938 579420229 /nfs/dbraw/zinc/42/02/29/579420229.db2.gz ZDZMYPBFVFXJGR-UHFFFAOYSA-N 1 0 326.422 1.850 20 5 EDBDRO C[NH+](C)C1(CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CCOCC1 ZINC000736755666 579017005 /nfs/dbraw/zinc/01/70/05/579017005.db2.gz CQWACSKALVRYPP-UHFFFAOYSA-N 1 0 347.379 1.298 20 5 EDBDRO CC(C)[C@@H](C(=O)OCCn1cc([N+](=O)[O-])ccc1=O)[NH+]1CCCC1 ZINC000761400771 580056661 /nfs/dbraw/zinc/05/66/61/580056661.db2.gz BFFFWAOQNANDGH-HNNXBMFYSA-N 1 0 337.376 1.420 20 5 EDBDRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000745942224 579568131 /nfs/dbraw/zinc/56/81/31/579568131.db2.gz BTKHTQIHBMCIML-JTQLQIEISA-N 1 0 347.824 1.868 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)COc2ccccc2)c1 ZINC000749671466 579734264 /nfs/dbraw/zinc/73/42/64/579734264.db2.gz PDVKADIZPNXLGI-NVXWUHKLSA-N 1 0 332.356 1.658 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c1 ZINC000749685184 579734943 /nfs/dbraw/zinc/73/49/43/579734943.db2.gz BXEHZBQXVGBFMV-IAGOWNOFSA-N 1 0 336.388 1.898 20 5 EDBDRO C[N@@H+](Cc1cccc(C(N)=O)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750041852 579749461 /nfs/dbraw/zinc/74/94/61/579749461.db2.gz XLCXXLVWFCCDBM-INIZCTEOSA-N 1 0 329.356 1.859 20 5 EDBDRO CC(=O)OC1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000753186834 579874435 /nfs/dbraw/zinc/87/44/35/579874435.db2.gz DZSSHIBTAPJJNH-CQSZACIVSA-N 1 0 338.360 1.362 20 5 EDBDRO CC(C)C(=O)NCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000764589720 580124162 /nfs/dbraw/zinc/12/41/62/580124162.db2.gz KBHMIIMEIBFIJJ-UHFFFAOYSA-N 1 0 334.420 1.925 20 5 EDBDRO C[N@@H+]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000767129284 580182333 /nfs/dbraw/zinc/18/23/33/580182333.db2.gz RCZQDCMDXYNANY-UHFFFAOYSA-N 1 0 335.360 1.339 20 5 EDBDRO O=C(C[NH2+][C@H](CCO)C1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000771801366 580294438 /nfs/dbraw/zinc/29/44/38/580294438.db2.gz ISFXVFYCSZVNAQ-LLVKDONJSA-N 1 0 327.768 1.937 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CN3CCC[C@H]3CO2)n1 ZINC000774160703 580355443 /nfs/dbraw/zinc/35/54/43/580355443.db2.gz ALOOJFLUZFYNIV-YHUYYLMFSA-N 1 0 349.435 1.728 20 5 EDBDRO Cn1cc([C@H](O)C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000774202582 580356610 /nfs/dbraw/zinc/35/66/10/580356610.db2.gz ATCDMXGUDXXIPU-MGPQQGTHSA-N 1 0 334.380 1.332 20 5 EDBDRO CC(C)OCC[NH+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776276228 580413641 /nfs/dbraw/zinc/41/36/41/580413641.db2.gz IJEOCEYJKOFIPU-QGZVFWFLSA-N 1 0 337.420 1.671 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000776578565 580421972 /nfs/dbraw/zinc/42/19/72/580421972.db2.gz GKTCFTHPCNSSII-MSOLQXFVSA-N 1 0 349.431 1.815 20 5 EDBDRO O=C([C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000776581684 580422099 /nfs/dbraw/zinc/42/20/99/580422099.db2.gz HINRAVDKMJONJQ-NVXWUHKLSA-N 1 0 347.415 1.963 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000776587431 580422607 /nfs/dbraw/zinc/42/26/07/580422607.db2.gz GHEXKXSWOXDTLJ-ZWKOTPCHSA-N 1 0 349.431 1.815 20 5 EDBDRO COC[C@](C)(CC(=O)OC)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591520 580423038 /nfs/dbraw/zinc/42/30/38/580423038.db2.gz OEZKDDPFVRUCGA-HIFRSBDPSA-N 1 0 326.349 1.186 20 5 EDBDRO COc1ccccc1[C@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000782067686 580565515 /nfs/dbraw/zinc/56/55/15/580565515.db2.gz LIPZQOUPXNPEPE-JKSUJKDBSA-N 1 0 332.356 1.960 20 5 EDBDRO CN(Cn1cc(Br)c([N+](=O)[O-])n1)CC1([NH+](C)C)CCC1 ZINC000783548223 580601312 /nfs/dbraw/zinc/60/13/12/580601312.db2.gz FWFBQCANSBZZOK-UHFFFAOYSA-N 1 0 346.229 1.927 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(Oc3cnccn3)CC2)cc1 ZINC000785895625 580655810 /nfs/dbraw/zinc/65/58/10/580655810.db2.gz CMJQCGWCJAQOQZ-INIZCTEOSA-N 1 0 344.371 1.962 20 5 EDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792879823 580829958 /nfs/dbraw/zinc/82/99/58/580829958.db2.gz LVRQHPCSQYKXQP-GXTWGEPZSA-N 1 0 325.321 1.787 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)OCCC[N@@H+]1CCO[C@@H](C)C1 ZINC000893389999 590829144 /nfs/dbraw/zinc/82/91/44/590829144.db2.gz CDKWPHBCCQXLTE-LBPRGKRZSA-N 1 0 338.360 1.871 20 5 EDBDRO C[NH+](C)C[C@](C)(O)CNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC000892955220 591238848 /nfs/dbraw/zinc/23/88/48/591238848.db2.gz GZXDVQSVDJLGAM-OAHLLOKOSA-N 1 0 338.795 1.943 20 5 EDBDRO COc1cc(OCC(=O)N2CC([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000898612957 591438642 /nfs/dbraw/zinc/43/86/42/591438642.db2.gz QILSGHBTDQRRJX-UHFFFAOYSA-N 1 0 335.360 1.289 20 5 EDBDRO Cc1c(CC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000896554372 591518946 /nfs/dbraw/zinc/51/89/46/591518946.db2.gz WIBFKKYLOPFJMB-XJKSGUPXSA-N 1 0 334.420 1.196 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000895010967 591521385 /nfs/dbraw/zinc/52/13/85/591521385.db2.gz YYQQWYWXRNWLHQ-LBPRGKRZSA-N 1 0 334.298 1.511 20 5 EDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897726593 591637481 /nfs/dbraw/zinc/63/74/81/591637481.db2.gz UOPXHKSGQKDEAM-UHFFFAOYSA-N 1 0 347.415 1.707 20 5 EDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000727174912 591648957 /nfs/dbraw/zinc/64/89/57/591648957.db2.gz JLVWMFXVELPWEJ-GFCCVEGCSA-N 1 0 333.392 1.791 20 5 EDBDRO C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@H]1C[N@H+](C)CCN1C ZINC000895245924 591678647 /nfs/dbraw/zinc/67/86/47/591678647.db2.gz JTGQPIMHBUKXNK-GXSJLCMTSA-N 1 0 336.421 1.646 20 5 EDBDRO C[C@H](CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000897053922 591724693 /nfs/dbraw/zinc/72/46/93/591724693.db2.gz CVDQLOUNFIKKNL-HZSPNIEDSA-N 1 0 348.403 1.159 20 5 EDBDRO CN1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC[N@H+](C)CC1 ZINC000897095430 591737467 /nfs/dbraw/zinc/73/74/67/591737467.db2.gz SSQSCCJTLGBDMC-UHFFFAOYSA-N 1 0 329.404 1.827 20 5 EDBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)c1[N+](=O)[O-] ZINC000895449577 591761933 /nfs/dbraw/zinc/76/19/33/591761933.db2.gz RTBFJRIJBKCRQF-LBPRGKRZSA-N 1 0 349.387 1.753 20 5 EDBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000898067640 591772421 /nfs/dbraw/zinc/77/24/21/591772421.db2.gz HZHMKXRFELACFH-INIZCTEOSA-N 1 0 341.383 1.485 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@@H]4[C@H]3CCC[N@H+]4CCO)nc2c1 ZINC000897220643 591775709 /nfs/dbraw/zinc/77/57/09/591775709.db2.gz CRQCWSOTOMQSLS-HUUCEWRRSA-N 1 0 331.376 1.507 20 5 EDBDRO COc1cc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])cc1F ZINC000897221792 591776151 /nfs/dbraw/zinc/77/61/51/591776151.db2.gz OTSZFBHUCAJYLP-STQMWFEESA-N 1 0 339.367 1.778 20 5 EDBDRO C/C(=C\C(=O)NCCNc1ccc([N+](=O)[O-])cc1)CN1CCOCC1 ZINC000899987197 591855779 /nfs/dbraw/zinc/85/57/79/591855779.db2.gz XFSULIGYYCFGTD-WYMLVPIESA-N 1 0 348.403 1.401 20 5 EDBDRO O=c1c([N+](=O)[O-])cc(Br)cn1C[C@@H]1CCCC[NH2+]C1 ZINC000899629326 591879156 /nfs/dbraw/zinc/87/91/56/591879156.db2.gz IDHWMZLIHVZOCE-SECBINFHSA-N 1 0 330.182 1.909 20 5 EDBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)CCO ZINC000899736595 591925636 /nfs/dbraw/zinc/92/56/36/591925636.db2.gz LZUFLHQQNFLJLI-UHFFFAOYSA-N 1 0 341.433 1.749 20 5 EDBDRO C[N@H+](CCO)CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000899734341 591929608 /nfs/dbraw/zinc/92/96/08/591929608.db2.gz AXRCJVINRXPTCW-UHFFFAOYSA-N 1 0 335.282 1.268 20 5 EDBDRO Cc1cc(N2CCNCC[NH2+]CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000900369018 591998682 /nfs/dbraw/zinc/99/86/82/591998682.db2.gz BXQZAEKNLWISNH-UHFFFAOYSA-N 1 0 342.403 1.359 20 5 EDBDRO O=C(N1C[C@@H]2CC[NH2+]C[C@@H]2C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000900475942 592035361 /nfs/dbraw/zinc/03/53/61/592035361.db2.gz UNHJFOWVDKEZDZ-WDEREUQCSA-N 1 0 341.314 1.634 20 5 EDBDRO CO[C@]1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000903363046 592159119 /nfs/dbraw/zinc/15/91/19/592159119.db2.gz LSJCWMQZUKCLOR-ZFWWWQNUSA-N 1 0 340.401 1.375 20 5 EDBDRO CO[C@@]1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CCS(=O)(=O)C1 ZINC000903369437 592161680 /nfs/dbraw/zinc/16/16/80/592161680.db2.gz XHNNJNDEVXJPMU-SWLSCSKDSA-N 1 0 342.417 1.758 20 5 EDBDRO Cc1cnc(COC(=O)COC2CC[NH+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000904813124 592326669 /nfs/dbraw/zinc/32/66/69/592326669.db2.gz QAFRQYCRFWIOTK-UHFFFAOYSA-N 1 0 337.376 1.761 20 5 EDBDRO CCN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000905350083 592502352 /nfs/dbraw/zinc/50/23/52/592502352.db2.gz QISJLPYPIGBTOK-GFCCVEGCSA-N 1 0 327.406 1.748 20 5 EDBDRO O=[N+]([O-])c1cccc2c1CCN(S(=O)(=O)CC1CC[NH2+]CC1)C2 ZINC000905342665 592511824 /nfs/dbraw/zinc/51/18/24/592511824.db2.gz JYKLVBYVEJMDFT-UHFFFAOYSA-N 1 0 339.417 1.282 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)c1 ZINC000905649157 592596250 /nfs/dbraw/zinc/59/62/50/592596250.db2.gz PEUHSDPQMPENPR-HYVNUMGLSA-N 1 0 336.388 1.882 20 5 EDBDRO CC[C@H](CN1CCOCC1)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000905656428 592598548 /nfs/dbraw/zinc/59/85/48/592598548.db2.gz LGMVBURFVVBJTL-GFCCVEGCSA-N 1 0 338.433 1.992 20 5 EDBDRO Cc1ncccc1CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000905699588 592613629 /nfs/dbraw/zinc/61/36/29/592613629.db2.gz JVLDKCFAQHMAMD-INIZCTEOSA-N 1 0 331.372 1.870 20 5 EDBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000907385956 592621125 /nfs/dbraw/zinc/62/11/25/592621125.db2.gz ABPPJTDACQOVIR-OAHLLOKOSA-N 1 0 341.795 1.364 20 5 EDBDRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000908969386 592686095 /nfs/dbraw/zinc/68/60/95/592686095.db2.gz TTZFEVRCBLRYEP-QGPMSJSTSA-N 1 0 347.415 1.756 20 5 EDBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736568993 593018006 /nfs/dbraw/zinc/01/80/06/593018006.db2.gz GYKFCBRIYLLPJE-SNVBAGLBSA-N 1 0 332.368 1.456 20 5 EDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000911883004 593030357 /nfs/dbraw/zinc/03/03/57/593030357.db2.gz MEMPNRQGFRXJLK-SKDRFNHKSA-N 1 0 325.390 1.505 20 5 EDBDRO CC[NH+](CC)Cc1ccc(C(=O)OCCn2cnc([N+](=O)[O-])n2)cc1 ZINC000805893236 593160261 /nfs/dbraw/zinc/16/02/61/593160261.db2.gz SAUJHCMLWMBQTB-UHFFFAOYSA-N 1 0 347.375 1.885 20 5 EDBDRO C[NH+]1CCC(ONC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000808024378 593216880 /nfs/dbraw/zinc/21/68/80/593216880.db2.gz JBGASZLEFCFEQJ-UHFFFAOYSA-N 1 0 337.361 1.355 20 5 EDBDRO COC[C@](C)(CCO)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839502352 593311819 /nfs/dbraw/zinc/31/18/19/593311819.db2.gz HPVRKSTTXPPULU-AWEZNQCLSA-N 1 0 345.783 1.564 20 5 EDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000805111088 593338125 /nfs/dbraw/zinc/33/81/25/593338125.db2.gz PHZWRPMRPBHQJX-JQWIXIFHSA-N 1 0 345.446 1.904 20 5 EDBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000811600337 593474911 /nfs/dbraw/zinc/47/49/11/593474911.db2.gz HDBFZFISVNUTGE-LBPRGKRZSA-N 1 0 333.392 1.789 20 5 EDBDRO Cn1cc([C@@H]2CN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000818290940 593690160 /nfs/dbraw/zinc/69/01/60/593690160.db2.gz HRPYVOBUHYFXFH-WCQYABFASA-N 1 0 349.778 1.549 20 5 EDBDRO CO[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000819070177 593737299 /nfs/dbraw/zinc/73/72/99/593737299.db2.gz TWPLISWEZIDMPD-JQWIXIFHSA-N 1 0 338.282 1.501 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2COC3(CCOCC3)O2)c1 ZINC000819215094 593744580 /nfs/dbraw/zinc/74/45/80/593744580.db2.gz GPACMEVDBZVHBK-LSDHHAIUSA-N 1 0 338.360 1.140 20 5 EDBDRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000840392502 593762065 /nfs/dbraw/zinc/76/20/65/593762065.db2.gz XMRCZPFRVOEZOJ-HZPDHXFCSA-N 1 0 333.388 1.495 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821581648 593868069 /nfs/dbraw/zinc/86/80/69/593868069.db2.gz RKFNGNRIGPEDJI-VHSXEESVSA-N 1 0 332.368 1.455 20 5 EDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821598981 593875526 /nfs/dbraw/zinc/87/55/26/593875526.db2.gz ATSDNSOACCGONS-NSHDSACASA-N 1 0 346.395 1.481 20 5 EDBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000820752145 593880670 /nfs/dbraw/zinc/88/06/70/593880670.db2.gz KXIZUDGOWWDNKA-QMTHXVAHSA-N 1 0 331.380 1.916 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC[C@H]21 ZINC000821625963 593887268 /nfs/dbraw/zinc/88/72/68/593887268.db2.gz ZJAZJLDUKNCQGG-CHWSQXEVSA-N 1 0 343.391 1.695 20 5 EDBDRO COC1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000821679741 593909520 /nfs/dbraw/zinc/90/95/20/593909520.db2.gz KZHORQQEQYRHBV-UHFFFAOYSA-N 1 0 347.379 1.298 20 5 EDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C1 ZINC000821088101 593962941 /nfs/dbraw/zinc/96/29/41/593962941.db2.gz JPHQWBZQXMWROA-LBPRGKRZSA-N 1 0 345.407 1.943 20 5 EDBDRO CCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000821109987 593968078 /nfs/dbraw/zinc/96/80/78/593968078.db2.gz VGASXPJINLWBEJ-UHFFFAOYSA-N 1 0 332.368 1.456 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCc1nc(-c2ccc(C[NH3+])cc2F)no1 ZINC000822900849 594119457 /nfs/dbraw/zinc/11/94/57/594119457.db2.gz KVCKWLULRPKJGT-UHFFFAOYSA-N 1 0 346.322 1.990 20 5 EDBDRO CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1C ZINC000825451241 594187062 /nfs/dbraw/zinc/18/70/62/594187062.db2.gz HMXUAPIPOROPMD-MNOVXSKESA-N 1 0 331.380 1.694 20 5 EDBDRO COCC(C)(C)[NH+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000823454998 594203843 /nfs/dbraw/zinc/20/38/43/594203843.db2.gz HLKWIVALRUUPDM-INIZCTEOSA-N 1 0 337.420 1.671 20 5 EDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000826677515 594553184 /nfs/dbraw/zinc/55/31/84/594553184.db2.gz NAQCERAYHPWCBO-SNVBAGLBSA-N 1 0 349.416 1.761 20 5 EDBDRO CC(C)[C@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000831599048 594686564 /nfs/dbraw/zinc/68/65/64/594686564.db2.gz JKVLMAZZXJFSMO-CQSZACIVSA-N 1 0 331.376 1.401 20 5 EDBDRO CCOc1ccc(C(=O)NC[C@@H](C[NH+](C)C)OCC)cc1[N+](=O)[O-] ZINC000831771149 594701414 /nfs/dbraw/zinc/70/14/14/594701414.db2.gz JDBRNJSFXPZYKK-ZDUSSCGKSA-N 1 0 339.392 1.690 20 5 EDBDRO [NH3+]C1(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000832229146 594736838 /nfs/dbraw/zinc/73/68/38/594736838.db2.gz UXRODHOVWHVJMI-UHFFFAOYSA-N 1 0 331.376 1.722 20 5 EDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000832630695 594765315 /nfs/dbraw/zinc/76/53/15/594765315.db2.gz WJAFMMJDOSUJMB-ZDUSSCGKSA-N 1 0 348.403 1.161 20 5 EDBDRO C[C@@H]1C[C@H](O)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000832718219 594771579 /nfs/dbraw/zinc/77/15/79/594771579.db2.gz RWOAERDATMBHEY-PWSUYJOCSA-N 1 0 325.340 1.765 20 5 EDBDRO Cn1cncc1C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000835458575 594830142 /nfs/dbraw/zinc/83/01/42/594830142.db2.gz SDWNLRQNURJLGV-AWEZNQCLSA-N 1 0 330.344 1.760 20 5 EDBDRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000841158880 594860252 /nfs/dbraw/zinc/86/02/52/594860252.db2.gz UMWKVXZDFUWBLD-VIFPVBQESA-N 1 0 340.767 1.384 20 5 EDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841200209 594867347 /nfs/dbraw/zinc/86/73/47/594867347.db2.gz LXSQHSXFLROMAM-DTWKUNHWSA-N 1 0 340.767 1.382 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841216500 594870165 /nfs/dbraw/zinc/87/01/65/594870165.db2.gz HJXLBGRTMWOVFA-PRHODGIISA-N 1 0 340.767 1.301 20 5 EDBDRO CC(C)(CCc1noc(-c2cn(C3CC[NH2+]CC3)nn2)n1)[N+](=O)[O-] ZINC000843234131 595045452 /nfs/dbraw/zinc/04/54/52/595045452.db2.gz RIFWRCGGNOWVOY-UHFFFAOYSA-N 1 0 335.368 1.241 20 5 EDBDRO CC(C)([NH3+])Cc1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000843236425 595046031 /nfs/dbraw/zinc/04/60/31/595046031.db2.gz BWAAFCAPFZVOID-UHFFFAOYSA-N 1 0 329.320 1.505 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000837186503 595052915 /nfs/dbraw/zinc/05/29/15/595052915.db2.gz RNPZDQVQEJZUSJ-AWEZNQCLSA-N 1 0 349.387 1.727 20 5 EDBDRO CN(CCN1CC[NH2+]CC1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000843337939 595079052 /nfs/dbraw/zinc/07/90/52/595079052.db2.gz PKOVLCPOQLTOBO-UHFFFAOYSA-N 1 0 326.784 1.225 20 5 EDBDRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842483806 595119478 /nfs/dbraw/zinc/11/94/78/595119478.db2.gz QNNSMWYSVCTUMM-GFCCVEGCSA-N 1 0 347.824 1.915 20 5 EDBDRO C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000842486352 595121277 /nfs/dbraw/zinc/12/12/77/595121277.db2.gz YDQIYKHPWSYAKM-UWVGGRQHSA-N 1 0 347.824 1.854 20 5 EDBDRO Nc1ccc(C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000842510504 595123181 /nfs/dbraw/zinc/12/31/81/595123181.db2.gz SKHUERMZVBLNSM-CZUORRHYSA-N 1 0 348.403 1.536 20 5 EDBDRO CC1(C)C[NH2+]CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842731481 595182925 /nfs/dbraw/zinc/18/29/25/595182925.db2.gz ZIRZREKYUKTFGA-UHFFFAOYSA-N 1 0 333.797 1.621 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000842789003 595199223 /nfs/dbraw/zinc/19/92/23/595199223.db2.gz NZCYCASATQCOMC-ZJUUUORDSA-N 1 0 347.824 1.914 20 5 EDBDRO COc1cccc([C@@H](O)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000843067645 595280000 /nfs/dbraw/zinc/28/00/00/595280000.db2.gz GZVWLUUIAXPMDE-SJORKVTESA-N 1 0 332.356 1.960 20 5 EDBDRO CCc1ccc([C@H](O)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000843091382 595285146 /nfs/dbraw/zinc/28/51/46/595285146.db2.gz BNDNWWYCQSUBIL-JKSUJKDBSA-N 1 0 334.376 1.038 20 5 EDBDRO COC(=O)[C@@H]1CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848474236 595388371 /nfs/dbraw/zinc/38/83/71/595388371.db2.gz BRVUWQPAMKDCFC-GFCCVEGCSA-N 1 0 330.344 1.911 20 5 EDBDRO CN(C[C@@H]1CCC[N@@H+]1C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848490274 595394550 /nfs/dbraw/zinc/39/45/50/595394550.db2.gz YITQRSBDYWBDJW-IRXDYDNUSA-N 1 0 346.431 1.894 20 5 EDBDRO C[N@H+](CCNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000848582685 595408931 /nfs/dbraw/zinc/40/89/31/595408931.db2.gz PEFYWQWBNRXMJN-UHFFFAOYSA-N 1 0 329.303 1.777 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)[C@H]2CCCCN2C)c1 ZINC000845121369 595445806 /nfs/dbraw/zinc/44/58/06/595445806.db2.gz HPDJXASPLVSTOV-CQSZACIVSA-N 1 0 336.344 1.909 20 5 EDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766174 595600886 /nfs/dbraw/zinc/60/08/86/595600886.db2.gz NHNVEPHYFYIIQV-UWVGGRQHSA-N 1 0 329.303 1.762 20 5 EDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766176 595600913 /nfs/dbraw/zinc/60/09/13/595600913.db2.gz NHNVEPHYFYIIQV-VHSXEESVSA-N 1 0 329.303 1.762 20 5 EDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCc2[nH+]ccc(N)c2C1 ZINC000857899837 595648304 /nfs/dbraw/zinc/64/83/04/595648304.db2.gz QMRLVLNXJZOTQA-UHFFFAOYSA-N 1 0 348.384 1.538 20 5 EDBDRO C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000857931778 595656720 /nfs/dbraw/zinc/65/67/20/595656720.db2.gz ZCSLHQRIGXHSPR-ZDUSSCGKSA-N 1 0 344.375 1.096 20 5 EDBDRO C[C@H](CCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[NH+](C)C ZINC000855414807 595704558 /nfs/dbraw/zinc/70/45/58/595704558.db2.gz BTHHEIMLGCCVKW-IAQYHMDHSA-N 1 0 334.376 1.544 20 5 EDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000861543420 596023133 /nfs/dbraw/zinc/02/31/33/596023133.db2.gz BQVKXKDIGSHWBB-OIBJUYFYSA-N 1 0 326.740 1.053 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC[N@H+]2CCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000856739002 596066914 /nfs/dbraw/zinc/06/69/14/596066914.db2.gz MCRVANALWCZASB-LBPRGKRZSA-N 1 0 341.433 1.974 20 5 EDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000854654488 596151374 /nfs/dbraw/zinc/15/13/74/596151374.db2.gz KWFFMJFKEYSFGM-DGCLKSJQSA-N 1 0 335.360 1.337 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000857232115 596193561 /nfs/dbraw/zinc/19/35/61/596193561.db2.gz MBOWNRAYOKKUAO-GFCCVEGCSA-N 1 0 327.406 1.571 20 5 EDBDRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000857235061 596194155 /nfs/dbraw/zinc/19/41/55/596194155.db2.gz OHBWKEANRVMEDS-RNCFNFMXSA-N 1 0 345.808 1.750 20 5 EDBDRO COc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)ccc1[N+](=O)[O-] ZINC000857235686 596194207 /nfs/dbraw/zinc/19/42/07/596194207.db2.gz SQURSXNGTOJPIM-IINYFYTJSA-N 1 0 341.389 1.105 20 5 EDBDRO O=C1CCCN1C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852680025 596226602 /nfs/dbraw/zinc/22/66/02/596226602.db2.gz JLLKRIJYWBVNFL-XJKSGUPXSA-N 1 0 333.388 1.573 20 5 EDBDRO O=C(CN1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000866724659 596310959 /nfs/dbraw/zinc/31/09/59/596310959.db2.gz NAPMPYBEHOMYTA-GJZGRUSLSA-N 1 0 330.388 1.310 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])s1 ZINC000866762481 596327976 /nfs/dbraw/zinc/32/79/76/596327976.db2.gz SNTWZGDAKIKRLJ-ZDUSSCGKSA-N 1 0 345.446 1.729 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1C ZINC000866831896 596371162 /nfs/dbraw/zinc/37/11/62/596371162.db2.gz UUFAXMTVYMUWDD-QWHCGFSZSA-N 1 0 339.417 1.727 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c1C ZINC000866831929 596371246 /nfs/dbraw/zinc/37/12/46/596371246.db2.gz VKZHGLTXXWAQGK-KBPBESRZSA-N 1 0 339.417 1.727 20 5 EDBDRO O=C(CC[NH2+]CC1CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000870854681 596378195 /nfs/dbraw/zinc/37/81/95/596378195.db2.gz UFKHHJBNYRCLIE-UHFFFAOYSA-N 1 0 332.404 1.633 20 5 EDBDRO CN(CCC[NH+](C)C)CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869244278 596459557 /nfs/dbraw/zinc/45/95/57/596459557.db2.gz WOWDDNJDIFNUAB-UHFFFAOYSA-N 1 0 340.399 1.276 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000867815007 596566317 /nfs/dbraw/zinc/56/63/17/596566317.db2.gz WPVOAEVHGUVOEJ-UKRRQHHQSA-N 1 0 339.417 1.451 20 5 EDBDRO O=[N+]([O-])c1ccc2nccc(NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)c2c1 ZINC000865484766 596588147 /nfs/dbraw/zinc/58/81/47/596588147.db2.gz ISILLXAVMVEBGI-UONOGXRCSA-N 1 0 328.372 1.840 20 5 EDBDRO CC[NH+](CC)CC[C@@H](CO)Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865750377 596670055 /nfs/dbraw/zinc/67/00/55/596670055.db2.gz QVGPTJUAZATHTA-LBPRGKRZSA-N 1 0 329.372 1.731 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000866258439 596840579 /nfs/dbraw/zinc/84/05/79/596840579.db2.gz WKCXNSSVQTVWLX-UHFFFAOYSA-N 1 0 337.424 1.668 20 5 EDBDRO COC(C)(C)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000872227045 596844570 /nfs/dbraw/zinc/84/45/70/596844570.db2.gz YVXCZZJSWNPRJS-UHFFFAOYSA-N 1 0 330.406 1.773 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](OC3CCC3)CC2)c1 ZINC000872278014 596865541 /nfs/dbraw/zinc/86/55/41/596865541.db2.gz DJSTWYJKSKKBEU-ZBFHGGJFSA-N 1 0 338.408 1.576 20 5 EDBDRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000121073991 596888105 /nfs/dbraw/zinc/88/81/05/596888105.db2.gz XKINHNSANYVACW-UHFFFAOYSA-N 1 0 342.783 1.597 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(Cn3cc([N+](=O)[O-])c(-c4ccccn4)n3)CC[C@@H]21 ZINC000872724946 597046949 /nfs/dbraw/zinc/04/69/49/597046949.db2.gz ZZJUOYQFFJUVKQ-ZFWWWQNUSA-N 1 0 342.403 1.837 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000874841878 597194465 /nfs/dbraw/zinc/19/44/65/597194465.db2.gz FIIPTVLYGLWMBM-KBPBESRZSA-N 1 0 349.387 1.677 20 5 EDBDRO CC(C)[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000876908048 597380891 /nfs/dbraw/zinc/38/08/91/597380891.db2.gz GUSVCYONWQTBQC-XUJLQICISA-N 1 0 337.424 1.441 20 5 EDBDRO CN(CCOCC[NH3+])C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000877056375 597423467 /nfs/dbraw/zinc/42/34/67/597423467.db2.gz KHOYEMFXMKWZFR-UHFFFAOYSA-N 1 0 333.747 1.364 20 5 EDBDRO COCCC1(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000877266483 597483194 /nfs/dbraw/zinc/48/31/94/597483194.db2.gz FQKRILOXHVWXGM-UHFFFAOYSA-N 1 0 325.340 1.622 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000877451243 597517286 /nfs/dbraw/zinc/51/72/86/597517286.db2.gz KUDAIUSQMDXKCA-UXLLHSPISA-N 1 0 332.404 1.464 20 5 EDBDRO COC(=O)C1=NO[C@@]2(CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000877712409 597549484 /nfs/dbraw/zinc/54/94/84/597549484.db2.gz LNOFIILGPUWWJR-INIZCTEOSA-N 1 0 333.344 1.531 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)n1 ZINC000882988042 597608652 /nfs/dbraw/zinc/60/86/52/597608652.db2.gz XHTHLHRTLYUXEY-HNNXBMFYSA-N 1 0 349.435 1.507 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000879574957 597637952 /nfs/dbraw/zinc/63/79/52/597637952.db2.gz HEYMOLFBNAAACT-DOMZBBRYSA-N 1 0 348.403 1.568 20 5 EDBDRO C[NH2+]C[C@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000883448635 597750753 /nfs/dbraw/zinc/75/07/53/597750753.db2.gz KYNOCRIVIZYFEL-CYBMUJFWSA-N 1 0 336.392 1.616 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[NH2+]CCC23CCC3)cc1[N+](=O)[O-] ZINC000883477690 597766885 /nfs/dbraw/zinc/76/68/85/597766885.db2.gz LAGWBPZPNLZOAS-UHFFFAOYSA-N 1 0 339.417 1.810 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000879340852 597892887 /nfs/dbraw/zinc/89/28/87/597892887.db2.gz BYCURPOZPVCYIO-CYZMBNFOSA-N 1 0 334.294 1.731 20 5 EDBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000882538763 597988455 /nfs/dbraw/zinc/98/84/55/597988455.db2.gz KMLRCEJFLGCZND-ZDUSSCGKSA-N 1 0 345.403 1.932 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000915621023 695957835 /nfs/dbraw/zinc/95/78/35/695957835.db2.gz GRACSVDUULQTLN-OAHLLOKOSA-N 1 0 348.403 1.671 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000917655967 697056067 /nfs/dbraw/zinc/05/60/67/697056067.db2.gz WQHZRCBZGHWIOJ-QWHCGFSZSA-N 1 0 339.417 1.808 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000917654588 697059373 /nfs/dbraw/zinc/05/93/73/697059373.db2.gz HSWZUOCNELNHOL-AAEUAGOBSA-N 1 0 325.390 1.500 20 5 EDBDRO COc1cc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)ccc1C ZINC001031662923 697440078 /nfs/dbraw/zinc/44/00/78/697440078.db2.gz OXZXSPPYKNFCCS-HUUCEWRRSA-N 1 0 333.388 1.217 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)cc([N+](=O)[O-])c1F ZINC000180076541 698566761 /nfs/dbraw/zinc/56/67/61/698566761.db2.gz HJMANPYLMREEAU-LLVKDONJSA-N 1 0 345.396 1.615 20 5 EDBDRO CCc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996428468 702782826 /nfs/dbraw/zinc/78/28/26/702782826.db2.gz FQVFZLIFXGDIMK-IUODEOHRSA-N 1 0 336.392 1.291 20 5 EDBDRO Cc1ncsc1CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996428464 702782910 /nfs/dbraw/zinc/78/29/10/702782910.db2.gz FLANVWBIISORAM-CHWSQXEVSA-N 1 0 338.433 1.240 20 5 EDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(CO)COCCN1C ZINC000922532940 703934034 /nfs/dbraw/zinc/93/40/34/703934034.db2.gz KVSYGGCHMXRCPZ-QHIITQONSA-N 1 0 335.404 1.281 20 5 EDBDRO O=C(NC1CC[NH+](C/C=C\c2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002781621 709386856 /nfs/dbraw/zinc/38/68/56/709386856.db2.gz GFHDFRZTWLGQCX-GGVHLCNSSA-N 1 0 329.400 1.946 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000060452648 214637530 /nfs/dbraw/zinc/63/75/30/214637530.db2.gz UPPLFKKZBUNUKB-SNVBAGLBSA-N 1 0 328.394 1.138 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178574974 232265603 /nfs/dbraw/zinc/26/56/03/232265603.db2.gz USXOITJVZPJRJQ-SWLSCSKDSA-N 1 0 333.392 1.267 20 5 EDBDRO CNS(=O)(=O)c1ccc(N2CCC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261764738 290790608 /nfs/dbraw/zinc/79/06/08/290790608.db2.gz QDXLUDLNJRPDOQ-GHMZBOCLSA-N 1 0 342.421 1.067 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C[C@H]21 ZINC000362024464 283078124 /nfs/dbraw/zinc/07/81/24/283078124.db2.gz QIRCCNFXTJHIIA-ZYHUDNBSSA-N 1 0 343.380 1.449 20 5 EDBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1ccncc1[N+](=O)[O-] ZINC000183568784 235144201 /nfs/dbraw/zinc/14/42/01/235144201.db2.gz KGBJTZJHDRUBKU-GFCCVEGCSA-N 1 0 337.380 1.348 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1cccnc1 ZINC000007093242 138094754 /nfs/dbraw/zinc/09/47/54/138094754.db2.gz GETXIWXTNLOHGM-UHFFFAOYSA-N 1 0 336.373 1.058 20 5 EDBDRO Cc1nn(C)c(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000132933421 138385588 /nfs/dbraw/zinc/38/55/88/138385588.db2.gz IYEUYHHITSGHMP-KBPBESRZSA-N 1 0 337.424 1.817 20 5 EDBDRO CN(CC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000449725527 305318036 /nfs/dbraw/zinc/31/80/36/305318036.db2.gz IXFVOROGWLHPDN-NSHDSACASA-N 1 0 334.298 1.427 20 5 EDBDRO Nc1c(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000131631794 223253313 /nfs/dbraw/zinc/25/33/13/223253313.db2.gz CDHGGIPNIVEZQP-GFCCVEGCSA-N 1 0 336.392 1.144 20 5 EDBDRO CCC1(c2ccccc2)C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000414146859 304102636 /nfs/dbraw/zinc/10/26/36/304102636.db2.gz PMKOAKRQGQTPLC-INIZCTEOSA-N 1 0 330.388 1.816 20 5 EDBDRO CC(C)C[C@@H]([NH3+])CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000414732615 304134119 /nfs/dbraw/zinc/13/41/19/304134119.db2.gz CVEKOYSYKDRTGE-OAHLLOKOSA-N 1 0 334.420 1.726 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000110007031 220008579 /nfs/dbraw/zinc/00/85/79/220008579.db2.gz LSNUXXASMCPUBW-UHFFFAOYSA-N 1 0 343.387 1.948 20 5 EDBDRO [NH3+]C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCCO1 ZINC000415119653 304161245 /nfs/dbraw/zinc/16/12/45/304161245.db2.gz ZHVWTMFKZNXRSS-LBPRGKRZSA-N 1 0 331.319 1.746 20 5 EDBDRO CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NCC[NH3+] ZINC000236745572 139030228 /nfs/dbraw/zinc/03/02/28/139030228.db2.gz GWUASHUJIURLCF-LBPRGKRZSA-N 1 0 342.783 1.078 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000236983407 139037106 /nfs/dbraw/zinc/03/71/06/139037106.db2.gz KHCXXGMBHSWZSJ-TZMCWYRMSA-N 1 0 341.433 1.953 20 5 EDBDRO Cc1c(C(=O)N2CCC([NH3+])CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000237736411 139059189 /nfs/dbraw/zinc/05/91/89/139059189.db2.gz JHIWKORMBDDTAR-UHFFFAOYSA-N 1 0 330.348 1.047 20 5 EDBDRO [NH3+][C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000237805968 139060854 /nfs/dbraw/zinc/06/08/54/139060854.db2.gz MLSXBUVJAWQERL-XJKSGUPXSA-N 1 0 341.371 1.703 20 5 EDBDRO [NH3+]C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000237869322 139062400 /nfs/dbraw/zinc/06/24/00/139062400.db2.gz ZHGMFXPYFBILOD-UHFFFAOYSA-N 1 0 328.166 1.921 20 5 EDBDRO [NH3+]C[C@@H]1CCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237942806 139064619 /nfs/dbraw/zinc/06/46/19/139064619.db2.gz XXZYYPZBSUDSGS-NSHDSACASA-N 1 0 327.768 1.967 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000246649954 139116547 /nfs/dbraw/zinc/11/65/47/139116547.db2.gz GKWULKWPZYOHGE-NEPJUHHUSA-N 1 0 346.387 1.603 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000568108752 306472457 /nfs/dbraw/zinc/47/24/57/306472457.db2.gz LTDPGVUBPNPFDN-RYUDHWBXSA-N 1 0 337.376 1.521 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)cc([N+](=O)[O-])c1F ZINC000092992325 218185129 /nfs/dbraw/zinc/18/51/29/218185129.db2.gz RMKSWCTZEHYHJF-JTQLQIEISA-N 1 0 345.396 1.803 20 5 EDBDRO COCC1(CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261647461 139214289 /nfs/dbraw/zinc/21/42/89/139214289.db2.gz CXGGHUOCRBYANG-UHFFFAOYSA-N 1 0 337.376 1.349 20 5 EDBDRO [NH3+]C1(c2noc(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)n2)CCC1 ZINC000261708255 139219395 /nfs/dbraw/zinc/21/93/95/139219395.db2.gz IOQWVJKLPMHNTP-UHFFFAOYSA-N 1 0 332.316 1.678 20 5 EDBDRO CN(CC(=O)N1CC[NH2+]CC1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000261725579 139220804 /nfs/dbraw/zinc/22/08/04/139220804.db2.gz RDFWQGXIGDHWAT-UHFFFAOYSA-N 1 0 329.360 1.011 20 5 EDBDRO COC(=O)COc1ccc(CN2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000261751323 139223154 /nfs/dbraw/zinc/22/31/54/139223154.db2.gz CDOHKFUDNPEPQO-WCQYABFASA-N 1 0 337.376 1.316 20 5 EDBDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000261795885 139226738 /nfs/dbraw/zinc/22/67/38/139226738.db2.gz QWYRCCQACIMLIQ-HNNXBMFYSA-N 1 0 331.376 1.354 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]C[C@H]1c1nccn1C ZINC000261836327 139230178 /nfs/dbraw/zinc/23/01/78/139230178.db2.gz WDCUILVZRRZXNY-AWEZNQCLSA-N 1 0 331.376 1.483 20 5 EDBDRO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000261843505 139230804 /nfs/dbraw/zinc/23/08/04/139230804.db2.gz VDUHAGQVZKNWAY-CZUORRHYSA-N 1 0 332.404 1.618 20 5 EDBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC000261911227 139236200 /nfs/dbraw/zinc/23/62/00/139236200.db2.gz JAHZHJCTKQKKGX-RRFJBIMHSA-N 1 0 335.404 1.850 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cc(C(N)=O)co1 ZINC000187724749 272952212 /nfs/dbraw/zinc/95/22/12/272952212.db2.gz OMDAQDNEYMQRAA-SNVBAGLBSA-N 1 0 346.343 1.794 20 5 EDBDRO CCc1ccc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000262114549 139252043 /nfs/dbraw/zinc/25/20/43/139252043.db2.gz UZLOKVCYPYTQDT-OAHLLOKOSA-N 1 0 332.404 1.277 20 5 EDBDRO C[NH2+]CCC1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000262129208 139253403 /nfs/dbraw/zinc/25/34/03/139253403.db2.gz WOWQVDBDDVLALC-UHFFFAOYSA-N 1 0 331.376 1.933 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000415394250 250917537 /nfs/dbraw/zinc/91/75/37/250917537.db2.gz LZIQDNLMYFYDPY-NSHDSACASA-N 1 0 334.376 1.212 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415819817 251029500 /nfs/dbraw/zinc/02/95/00/251029500.db2.gz YYFYBSBRUZYXNK-OLZOCXBDSA-N 1 0 348.403 1.784 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000415573379 304228863 /nfs/dbraw/zinc/22/88/63/304228863.db2.gz CCDFLPWSJSHMAT-FPMFFAJLSA-N 1 0 346.387 1.428 20 5 EDBDRO CS(=O)(=O)c1cccc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1[N+](=O)[O-] ZINC000262492070 139282155 /nfs/dbraw/zinc/28/21/55/139282155.db2.gz LBVVINKOEFPTJJ-GARJFASQSA-N 1 0 325.390 1.172 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000262557720 139286502 /nfs/dbraw/zinc/28/65/02/139286502.db2.gz UPAHTSMCJBYONQ-NWDGAFQWSA-N 1 0 325.390 1.133 20 5 EDBDRO COC(=O)[C@H](C)NC(=O)c1ccc(NCC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC000420194605 251638795 /nfs/dbraw/zinc/63/87/95/251638795.db2.gz FLTDBESSOPCWBB-VIFPVBQESA-N 1 0 338.364 1.035 20 5 EDBDRO COCC1(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[NH2+]CC1 ZINC000420246627 251656756 /nfs/dbraw/zinc/65/67/56/251656756.db2.gz SQLDKZXQIWLMLS-UHFFFAOYSA-N 1 0 348.403 1.908 20 5 EDBDRO CN1CC[NH2+]C[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000420265576 251661900 /nfs/dbraw/zinc/66/19/00/251661900.db2.gz DWDQGFQDIHUWEE-AWEZNQCLSA-N 1 0 347.419 1.146 20 5 EDBDRO [NH3+]C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C1CC1 ZINC000262744175 139300654 /nfs/dbraw/zinc/30/06/54/139300654.db2.gz DAFPPKAVWKMHPN-NSHDSACASA-N 1 0 336.373 1.159 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423059498 252030662 /nfs/dbraw/zinc/03/06/62/252030662.db2.gz MCOLAOMGOMNQPI-MRXNPFEDSA-N 1 0 343.387 1.688 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000423508039 252056777 /nfs/dbraw/zinc/05/67/77/252056777.db2.gz NIDKEFWIOHUCSU-JTQLQIEISA-N 1 0 327.344 1.640 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@H](C[NH3+])C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000423949017 252106726 /nfs/dbraw/zinc/10/67/26/252106726.db2.gz GPOYUYRNVNNFSX-CYBMUJFWSA-N 1 0 337.376 1.875 20 5 EDBDRO C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@H](c1ccccc1)[NH+](C)C ZINC000187186809 533067788 /nfs/dbraw/zinc/06/77/88/533067788.db2.gz GKZHOLYZFHVRRW-CXAGYDPISA-N 1 0 345.403 1.989 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](CO)C2)n1 ZINC000367530709 285167847 /nfs/dbraw/zinc/16/78/47/285167847.db2.gz HWHXYSVUUGGVHE-CVEARBPZSA-N 1 0 330.388 1.889 20 5 EDBDRO O=[N+]([O-])c1cncc(Br)c1N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261579149 285187167 /nfs/dbraw/zinc/18/71/67/285187167.db2.gz DQDWENYOWLFHHT-DTWKUNHWSA-N 1 0 327.182 1.798 20 5 EDBDRO C[C@@H](Cn1ccnc1)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000263655130 139350205 /nfs/dbraw/zinc/35/02/05/139350205.db2.gz CFDDCEYKOUVPHU-VIFPVBQESA-N 1 0 344.780 1.812 20 5 EDBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486952717 255020842 /nfs/dbraw/zinc/02/08/42/255020842.db2.gz CVCWZDFXOMSGGK-UWVGGRQHSA-N 1 0 327.331 1.967 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)n1 ZINC000488763187 255053764 /nfs/dbraw/zinc/05/37/64/255053764.db2.gz QGIJDBYUJMLOLU-SLEUVZQESA-N 1 0 348.403 1.943 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000493350472 255205804 /nfs/dbraw/zinc/20/58/04/255205804.db2.gz JHLDYSGPYHNBGX-MBVDDHJVSA-N 1 0 345.399 1.822 20 5 EDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000493186718 255195202 /nfs/dbraw/zinc/19/52/02/255195202.db2.gz LCZSKQHGSTWORE-HKLWWIALSA-N 1 0 348.378 1.253 20 5 EDBDRO C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000495041504 255266475 /nfs/dbraw/zinc/26/64/75/255266475.db2.gz FHSWXQBSEFEXEU-IJLUTSLNSA-N 1 0 327.406 1.507 20 5 EDBDRO [NH3+]CC[C@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000570424502 306542122 /nfs/dbraw/zinc/54/21/22/306542122.db2.gz YAGGRRAGCFWERC-LBPRGKRZSA-N 1 0 346.309 1.942 20 5 EDBDRO C[C@@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000117035540 221024829 /nfs/dbraw/zinc/02/48/29/221024829.db2.gz QLOBGDGLWGRHTL-IUODEOHRSA-N 1 0 336.392 1.628 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000118130623 221128471 /nfs/dbraw/zinc/12/84/71/221128471.db2.gz RRTDQTBBGUFVJG-NSHDSACASA-N 1 0 334.376 1.441 20 5 EDBDRO Cn1cccc1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000119306900 221290055 /nfs/dbraw/zinc/29/00/55/221290055.db2.gz OSRHCUMWMHMAKR-UHFFFAOYSA-N 1 0 338.389 1.001 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000266158699 139518005 /nfs/dbraw/zinc/51/80/05/139518005.db2.gz IJSOIKHPVMNKEP-NHYWBVRUSA-N 1 0 349.387 1.794 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)c1C ZINC000420453902 291994969 /nfs/dbraw/zinc/99/49/69/291994969.db2.gz XZRMXCQJSIGKTI-LBPRGKRZSA-N 1 0 349.359 1.487 20 5 EDBDRO COC(=O)c1cnc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000488723505 292030321 /nfs/dbraw/zinc/03/03/21/292030321.db2.gz WPUYRSDVTSUYBD-OUCADQQQSA-N 1 0 348.403 1.943 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000270418812 140096671 /nfs/dbraw/zinc/09/66/71/140096671.db2.gz KOSZDHYIIQVNSA-CYBMUJFWSA-N 1 0 346.387 1.456 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)cc([N+](=O)[O-])c1F ZINC000271418363 140293457 /nfs/dbraw/zinc/29/34/57/140293457.db2.gz LGNYYWTYGOMOQE-JTQLQIEISA-N 1 0 333.385 1.661 20 5 EDBDRO COCCN1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000272876248 140526512 /nfs/dbraw/zinc/52/65/12/140526512.db2.gz ULUPYKSAYWOYEZ-UHFFFAOYSA-N 1 0 344.371 1.746 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@@H]2C1 ZINC000339382991 142032711 /nfs/dbraw/zinc/03/27/11/142032711.db2.gz UEHKCABWXIOCEI-CVEARBPZSA-N 1 0 345.403 1.766 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc([N+](=O)[O-])ccc3OC)[C@@H]2C1 ZINC000339389229 142034307 /nfs/dbraw/zinc/03/43/07/142034307.db2.gz BGRYVDRODMRSFP-NVXWUHKLSA-N 1 0 335.404 1.898 20 5 EDBDRO C[NH+](C)C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000340425022 142387950 /nfs/dbraw/zinc/38/79/50/142387950.db2.gz CEZFHSINAXTGLU-CYBMUJFWSA-N 1 0 335.404 1.661 20 5 EDBDRO COc1ccc(CSCC(=O)NC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000342755492 142752888 /nfs/dbraw/zinc/75/28/88/142752888.db2.gz RIWFYRFHYDNPJW-LBPRGKRZSA-N 1 0 339.417 1.562 20 5 EDBDRO C[NH+](C)CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000347217623 143296124 /nfs/dbraw/zinc/29/61/24/143296124.db2.gz KEYVIPDAVZVXFK-UHFFFAOYSA-N 1 0 345.396 1.696 20 5 EDBDRO CCN(CC[NH+]1CCCCCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000347317082 143307685 /nfs/dbraw/zinc/30/76/85/143307685.db2.gz PXSBRHUEEONBPP-INIZCTEOSA-N 1 0 339.440 1.350 20 5 EDBDRO Cc1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)c(OCC[NH+](C)C)c1 ZINC000347534927 143332455 /nfs/dbraw/zinc/33/24/55/143332455.db2.gz ZZYPWVHTTBDMTL-UHFFFAOYSA-N 1 0 347.375 1.829 20 5 EDBDRO Cc1nn(Cc2ccc(C(=O)N[C@H](C)C[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000347652657 143345645 /nfs/dbraw/zinc/34/56/45/143345645.db2.gz KCSRIIUGKPFIML-SNVBAGLBSA-N 1 0 331.376 1.533 20 5 EDBDRO CCCCO[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000347698279 143351231 /nfs/dbraw/zinc/35/12/31/143351231.db2.gz DJJUIQQMXONIQO-SOUVJXGZSA-N 1 0 340.424 1.726 20 5 EDBDRO CC[C@H]1CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000348062528 143396662 /nfs/dbraw/zinc/39/66/62/143396662.db2.gz ZASMSKYPKWJFDP-FZMZJTMJSA-N 1 0 327.406 1.651 20 5 EDBDRO CN1CC[C@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1=O ZINC000352659038 149105270 /nfs/dbraw/zinc/10/52/70/149105270.db2.gz HTOHCLORJAFTCZ-LBPRGKRZSA-N 1 0 348.359 1.055 20 5 EDBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352872713 149197570 /nfs/dbraw/zinc/19/75/70/149197570.db2.gz FBXPFWQEZMMALO-GUTXKFCHSA-N 1 0 326.397 1.168 20 5 EDBDRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000353099781 149286332 /nfs/dbraw/zinc/28/63/32/149286332.db2.gz SIPKLDDAJYBYJC-NSHDSACASA-N 1 0 333.435 1.560 20 5 EDBDRO COC(=O)c1cn([C@@H]2CC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000355029933 150083090 /nfs/dbraw/zinc/08/30/90/150083090.db2.gz CDSVSNGKMSGHEL-SMDDNHRTSA-N 1 0 345.359 1.981 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355363085 150235226 /nfs/dbraw/zinc/23/52/26/150235226.db2.gz FATDBMYWGXAJFH-HZPDHXFCSA-N 1 0 333.388 1.838 20 5 EDBDRO O=C(Nc1ccccn1)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000370003166 155276546 /nfs/dbraw/zinc/27/65/46/155276546.db2.gz XVKOECUKDARDFR-UHFFFAOYSA-N 1 0 344.375 1.537 20 5 EDBDRO C[NH+]1CCC(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000358005042 151231774 /nfs/dbraw/zinc/23/17/74/151231774.db2.gz PPOKIYLQHIEPDW-UHFFFAOYSA-N 1 0 334.376 1.593 20 5 EDBDRO O=C(CC[NH2+]C[C@@H](CO)c1cccnc1)Nc1ccccc1[N+](=O)[O-] ZINC000573847434 306637067 /nfs/dbraw/zinc/63/70/67/306637067.db2.gz ONEJFFPUKNSJJH-AWEZNQCLSA-N 1 0 344.371 1.684 20 5 EDBDRO CC[NH+]1CCN(CCC(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000360525991 152081240 /nfs/dbraw/zinc/08/12/40/152081240.db2.gz COZFUUNRPVXCLS-UHFFFAOYSA-N 1 0 334.420 1.547 20 5 EDBDRO CC[C@H](CO)[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000361266504 152349356 /nfs/dbraw/zinc/34/93/56/152349356.db2.gz NUTSGGRQOGCHEB-GFCCVEGCSA-N 1 0 333.392 1.360 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000361289752 152354224 /nfs/dbraw/zinc/35/42/24/152354224.db2.gz XUERNVFBNBNXQX-ZIAGYGMSSA-N 1 0 336.396 1.060 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCN(CC[N@@H+]3CCCOCC3)C2)nc1 ZINC000361314889 152360084 /nfs/dbraw/zinc/36/00/84/152360084.db2.gz SYCWIIJZGBHSEE-CQSZACIVSA-N 1 0 335.408 1.198 20 5 EDBDRO O=C(CC[N@@H+]1CCC(F)(F)[C@@H](CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000361403721 152384383 /nfs/dbraw/zinc/38/43/83/152384383.db2.gz PEXXUJCAWRFHRH-LLVKDONJSA-N 1 0 343.330 1.873 20 5 EDBDRO CC[N@@H+]1CC[C@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000362594279 152754021 /nfs/dbraw/zinc/75/40/21/152754021.db2.gz ZWHQQSFUXNGRTM-SNVBAGLBSA-N 1 0 327.331 1.874 20 5 EDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000363688485 153030415 /nfs/dbraw/zinc/03/04/15/153030415.db2.gz DNUXLHHXURLNGR-NEPJUHHUSA-N 1 0 339.779 1.841 20 5 EDBDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000363699463 153033246 /nfs/dbraw/zinc/03/32/46/153033246.db2.gz LCKRJQKFCAWSBK-GUYCJALGSA-N 1 0 347.371 1.469 20 5 EDBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](CC3(O)CCCCC3)CC2)nc1 ZINC000363896971 153089463 /nfs/dbraw/zinc/08/94/63/153089463.db2.gz OCVDZDMJCSFSKZ-UHFFFAOYSA-N 1 0 335.408 1.956 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000364067434 153137329 /nfs/dbraw/zinc/13/73/29/153137329.db2.gz WUYILEWOUOCZCF-AWEZNQCLSA-N 1 0 339.417 1.762 20 5 EDBDRO C[C@@]1([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)NC(=O)NC1=O ZINC000364354726 153214998 /nfs/dbraw/zinc/21/49/98/153214998.db2.gz AHMADEBGYJZZQN-LRDDRELGSA-N 1 0 332.360 1.405 20 5 EDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000364583708 153277872 /nfs/dbraw/zinc/27/78/72/153277872.db2.gz IJYQYDTZRZECKM-LLVKDONJSA-N 1 0 330.348 1.047 20 5 EDBDRO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000367141490 154020969 /nfs/dbraw/zinc/02/09/69/154020969.db2.gz PNMZYLSMCREXHJ-CQSZACIVSA-N 1 0 346.391 1.129 20 5 EDBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000367904220 154319832 /nfs/dbraw/zinc/31/98/32/154319832.db2.gz OEVBVWPLMHWKPM-AAEUAGOBSA-N 1 0 347.371 1.928 20 5 EDBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367990636 154357468 /nfs/dbraw/zinc/35/74/68/154357468.db2.gz XPRXCBSIUSWIAW-QWRGUYRKSA-N 1 0 345.359 1.903 20 5 EDBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368378619 154532611 /nfs/dbraw/zinc/53/26/11/154532611.db2.gz PQBAZGHOCLCYPZ-XHDPSFHLSA-N 1 0 327.344 1.214 20 5 EDBDRO CN(C)S(=O)(=O)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417353796 304394481 /nfs/dbraw/zinc/39/44/81/304394481.db2.gz YACGVDYMEABZQB-HNNXBMFYSA-N 1 0 341.433 1.843 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)c2nonc21 ZINC000374540945 157322813 /nfs/dbraw/zinc/32/28/13/157322813.db2.gz IKCYKQSQGUVYOV-VXGBXAGGSA-N 1 0 347.375 1.557 20 5 EDBDRO Nc1c(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000377750322 157983848 /nfs/dbraw/zinc/98/38/48/157983848.db2.gz WJUTUFQCHKVGMN-LLVKDONJSA-N 1 0 336.367 1.778 20 5 EDBDRO COc1ccc([C@H](O)[C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000378249132 158119973 /nfs/dbraw/zinc/11/99/73/158119973.db2.gz OJIPWNVWTOOEGG-IRXDYDNUSA-N 1 0 346.387 1.998 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000378407549 158166151 /nfs/dbraw/zinc/16/61/51/158166151.db2.gz XTFJRCCYQFBNMH-CHWSQXEVSA-N 1 0 329.360 1.156 20 5 EDBDRO Cc1nn(CCC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000365214090 162358008 /nfs/dbraw/zinc/35/80/08/162358008.db2.gz SGZWZWKQHSDCFM-CQSZACIVSA-N 1 0 349.435 1.931 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000365668168 162362605 /nfs/dbraw/zinc/36/26/05/162362605.db2.gz DNCWTJJZLWLZCE-CQSZACIVSA-N 1 0 333.388 1.886 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342949096 292478252 /nfs/dbraw/zinc/47/82/52/292478252.db2.gz MMMCIWOIKVIOOV-UHFFFAOYSA-N 1 0 334.376 1.726 20 5 EDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000342710239 287119828 /nfs/dbraw/zinc/11/98/28/287119828.db2.gz KYEDNZSKAGBJBZ-NXEZZACHSA-N 1 0 327.768 1.741 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000078572494 287294296 /nfs/dbraw/zinc/29/42/96/287294296.db2.gz HAZPVTOXDKZSKT-GFCCVEGCSA-N 1 0 327.406 1.523 20 5 EDBDRO Cc1sc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000123239613 222241644 /nfs/dbraw/zinc/24/16/44/222241644.db2.gz WKZCUTVMCJNRFR-JTQLQIEISA-N 1 0 347.462 1.975 20 5 EDBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000123499224 222288031 /nfs/dbraw/zinc/28/80/31/222288031.db2.gz XTKGEKDGKBITHS-LLVKDONJSA-N 1 0 347.462 1.975 20 5 EDBDRO [NH3+][C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000237923589 267933774 /nfs/dbraw/zinc/93/37/74/267933774.db2.gz XSXOMRPLWDVDGC-VIFPVBQESA-N 1 0 328.166 1.459 20 5 EDBDRO O=C(NCCCC[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000273385163 268038226 /nfs/dbraw/zinc/03/82/26/268038226.db2.gz IXWZLYRHHMZZEG-UHFFFAOYSA-N 1 0 340.355 1.968 20 5 EDBDRO O=C(CC[N@@H+]1CCc2n[nH]c(=O)cc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000274998707 268260543 /nfs/dbraw/zinc/26/05/43/268260543.db2.gz PHLJWFFLMXVPBK-UHFFFAOYSA-N 1 0 343.343 1.065 20 5 EDBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)C[NH+]1CCCC1 ZINC000277163463 268521516 /nfs/dbraw/zinc/52/15/16/268521516.db2.gz SUQIHPUSRPPXRR-LLVKDONJSA-N 1 0 342.421 1.386 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NCC2([NH+](C)C)CCC2)cc([N+](=O)[O-])c1 ZINC000275687629 273120019 /nfs/dbraw/zinc/12/00/19/273120019.db2.gz AMOWQAUPVKQDLQ-UHFFFAOYSA-N 1 0 349.387 1.986 20 5 EDBDRO C[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284146972 274096198 /nfs/dbraw/zinc/09/61/98/274096198.db2.gz PBQDBOPVCYZOHM-RISCZKNCSA-N 1 0 335.408 1.167 20 5 EDBDRO C[N@@H+]1CCO[C@H]2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C[C@H]21 ZINC000284860617 274362726 /nfs/dbraw/zinc/36/27/26/274362726.db2.gz FIAJXSXHIAVQSR-NEPJUHHUSA-N 1 0 346.309 1.918 20 5 EDBDRO C[C@]1(C[NH3+])CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000261987859 274650272 /nfs/dbraw/zinc/65/02/72/274650272.db2.gz MOVXBJSVCZQTGX-MRXNPFEDSA-N 1 0 329.360 1.591 20 5 EDBDRO O=C1[C@H]([N@@H+]2CC[C@]3(CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000153802086 275030334 /nfs/dbraw/zinc/03/03/34/275030334.db2.gz PZIRDBAWHOAFOG-WBVHZDCISA-N 1 0 331.372 1.813 20 5 EDBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000286151024 287947207 /nfs/dbraw/zinc/94/72/07/287947207.db2.gz NOXIBLKUPOLGMM-UHFFFAOYSA-N 1 0 329.360 1.712 20 5 EDBDRO CS(=O)(=O)c1ccc(N2CC[C@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000262437204 278119953 /nfs/dbraw/zinc/11/99/53/278119953.db2.gz GLLHOUUTSFVNGP-CMPLNLGQSA-N 1 0 325.390 1.187 20 5 EDBDRO C[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C[NH+]1CCCC1 ZINC000068103477 278282616 /nfs/dbraw/zinc/28/26/16/278282616.db2.gz GJQJQFZTYIVSCY-NSHDSACASA-N 1 0 331.376 1.933 20 5 EDBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000179716255 279282938 /nfs/dbraw/zinc/28/29/38/279282938.db2.gz PGDZRISVWZZDIO-GFCCVEGCSA-N 1 0 331.376 1.579 20 5 EDBDRO Cc1c(NC(=O)CCN(C)Cc2nncn2C)cccc1[N+](=O)[O-] ZINC000287002693 288134854 /nfs/dbraw/zinc/13/48/54/288134854.db2.gz QEVNOZLAXJTSJA-UHFFFAOYSA-N 1 0 332.364 1.492 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000261922054 280259558 /nfs/dbraw/zinc/25/95/58/280259558.db2.gz IAMYMZVFQKQTJO-LBPRGKRZSA-N 1 0 327.406 1.653 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000077851214 281017557 /nfs/dbraw/zinc/01/75/57/281017557.db2.gz WPLOYKQDFHZOPD-CYBMUJFWSA-N 1 0 348.403 1.832 20 5 EDBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000288589638 288522241 /nfs/dbraw/zinc/52/22/41/288522241.db2.gz SFFGLIFPAVLIJQ-LBPRGKRZSA-N 1 0 325.340 1.311 20 5 EDBDRO COCC1(C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])CCOCC1 ZINC000291693931 289152630 /nfs/dbraw/zinc/15/26/30/289152630.db2.gz JKGLULVUFIMKIM-UHFFFAOYSA-N 1 0 340.376 1.842 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000268205698 289192643 /nfs/dbraw/zinc/19/26/43/289192643.db2.gz SCQCVJPWNHJETC-NSHDSACASA-N 1 0 327.406 1.529 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCCO1 ZINC000424020745 295276151 /nfs/dbraw/zinc/27/61/51/295276151.db2.gz MRKVUDOFQGFMAN-AWEZNQCLSA-N 1 0 348.403 1.385 20 5 EDBDRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000337274329 295531516 /nfs/dbraw/zinc/53/15/16/295531516.db2.gz FJTIONLVCKEDDO-AAEUAGOBSA-N 1 0 327.406 1.402 20 5 EDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420195836 295555038 /nfs/dbraw/zinc/55/50/38/295555038.db2.gz KXAWNQOOPXAVQC-PWSUYJOCSA-N 1 0 327.406 1.928 20 5 EDBDRO CC[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000419173002 304574379 /nfs/dbraw/zinc/57/43/79/304574379.db2.gz UWWAQQSOGXCIGH-OCCSQVGLSA-N 1 0 334.376 1.030 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1C ZINC000248561788 301426788 /nfs/dbraw/zinc/42/67/88/301426788.db2.gz AYWMQGLSNTVCDD-AVGNSLFASA-N 1 0 339.417 1.569 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420447203 304759517 /nfs/dbraw/zinc/75/95/17/304759517.db2.gz CQLONCVOSRIRCA-NWDGAFQWSA-N 1 0 327.406 1.617 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000420447837 304759749 /nfs/dbraw/zinc/75/97/49/304759749.db2.gz JBCFAIMXLFNQJE-YPMHNXCESA-N 1 0 327.406 1.136 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000420448771 304760106 /nfs/dbraw/zinc/76/01/06/304760106.db2.gz JREDINJZBOGWDM-RYUDHWBXSA-N 1 0 327.406 1.617 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)ccc1[N+](=O)[O-] ZINC000420469220 304762281 /nfs/dbraw/zinc/76/22/81/304762281.db2.gz VGZYNXVMLPJNRE-ZDUSSCGKSA-N 1 0 327.406 1.570 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000420476555 304763456 /nfs/dbraw/zinc/76/34/56/304763456.db2.gz IMCCFBUFVQAHPT-ZWNOBZJWSA-N 1 0 341.433 1.817 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000261837421 302050184 /nfs/dbraw/zinc/05/01/84/302050184.db2.gz ZIHPWFZCEYMVHU-LBPRGKRZSA-N 1 0 327.406 1.570 20 5 EDBDRO CN(CC[NH+]1CCCC1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000162158957 302930407 /nfs/dbraw/zinc/93/04/07/302930407.db2.gz ZTJGIZBYTZKXTA-UHFFFAOYSA-N 1 0 341.433 1.495 20 5 EDBDRO C[C@@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000293902235 303036223 /nfs/dbraw/zinc/03/62/23/303036223.db2.gz HHSGKAQIPLWMGE-ZDUSSCGKSA-N 1 0 334.420 1.582 20 5 EDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000294351062 303095806 /nfs/dbraw/zinc/09/58/06/303095806.db2.gz BDSXXFMAHHLWGM-JTQLQIEISA-N 1 0 325.340 1.814 20 5 EDBDRO COc1cc(OCC(=O)NCCC[C@@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000294711333 303138035 /nfs/dbraw/zinc/13/80/35/303138035.db2.gz AFZQJRIFFCWCQC-LBPRGKRZSA-N 1 0 337.376 1.631 20 5 EDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000295320257 303204281 /nfs/dbraw/zinc/20/42/81/303204281.db2.gz WRVZXSZADGOYEF-SSDOTTSWSA-N 1 0 334.145 1.964 20 5 EDBDRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000295382227 303211612 /nfs/dbraw/zinc/21/16/12/303211612.db2.gz GYSUGOQHVAFEDO-NSHDSACASA-N 1 0 341.795 1.825 20 5 EDBDRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000295440611 303219948 /nfs/dbraw/zinc/21/99/48/303219948.db2.gz LKNFJEKJMGHWRA-LBPRGKRZSA-N 1 0 325.340 1.311 20 5 EDBDRO CCOc1cc(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)ccc1[N+](=O)[O-] ZINC000295464613 303223366 /nfs/dbraw/zinc/22/33/66/303223366.db2.gz QIOPGUMUQLXKQO-YOEHRIQHSA-N 1 0 335.404 1.898 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)[C@H](C)CO ZINC000295759523 303262956 /nfs/dbraw/zinc/26/29/56/303262956.db2.gz OUBBMHDVRFJGAQ-MNOVXSKESA-N 1 0 325.365 1.539 20 5 EDBDRO CC1(C)[C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]2CCO[C@@H]21 ZINC000296049863 303292169 /nfs/dbraw/zinc/29/21/69/303292169.db2.gz FSFGGRRTAQSLBQ-XYPHTWIQSA-N 1 0 345.399 1.887 20 5 EDBDRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000296350232 303312326 /nfs/dbraw/zinc/31/23/26/303312326.db2.gz QKLVJSFGZUONRO-INIZCTEOSA-N 1 0 338.360 1.615 20 5 EDBDRO [NH3+]CC[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F ZINC000449719531 303384943 /nfs/dbraw/zinc/38/49/43/303384943.db2.gz LJKLTVWTSQZLTM-LLVKDONJSA-N 1 0 349.265 1.376 20 5 EDBDRO C[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C)[C@H]1[NH3+] ZINC000297315345 303384937 /nfs/dbraw/zinc/38/49/37/303384937.db2.gz GFVCVTGILOEXJF-YHAQOWFVSA-N 1 0 335.360 1.564 20 5 EDBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000297315763 303384978 /nfs/dbraw/zinc/38/49/78/303384978.db2.gz GJLFIMGWPPVXON-VXGBXAGGSA-N 1 0 329.360 1.732 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]12 ZINC000248577500 303472161 /nfs/dbraw/zinc/47/21/61/303472161.db2.gz DVGLJNQBHDDZAE-DVVUODLYSA-N 1 0 345.808 1.606 20 5 EDBDRO CS[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H]1[NH+](C)C ZINC000330644124 303771981 /nfs/dbraw/zinc/77/19/81/303771981.db2.gz FIWNCTLVBHMLGP-NEPJUHHUSA-N 1 0 341.437 1.030 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NC[C@]2(C)CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000423532274 304897988 /nfs/dbraw/zinc/89/79/88/304897988.db2.gz ZOTMLZRVWPFCQH-QGZVFWFLSA-N 1 0 348.403 1.139 20 5 EDBDRO COc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc([N+](=O)[O-])c1OC ZINC000428121806 305007660 /nfs/dbraw/zinc/00/76/60/305007660.db2.gz YTFAFLMPUNPRPV-ZYHUDNBSSA-N 1 0 337.376 1.954 20 5 EDBDRO C[C@H]([NH3+])C1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000428898681 305019588 /nfs/dbraw/zinc/01/95/88/305019588.db2.gz IYQZSJGLZAZKCS-NSHDSACASA-N 1 0 349.387 1.494 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@@H]2[NH2+]CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000430385030 305052137 /nfs/dbraw/zinc/05/21/37/305052137.db2.gz HMBVBKRTIHVHET-AWEZNQCLSA-N 1 0 341.433 1.960 20 5 EDBDRO C[NH2+]C[C@@H]1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000430923674 305068420 /nfs/dbraw/zinc/06/84/20/305068420.db2.gz FXQWWQPDRIKUIP-NEPJUHHUSA-N 1 0 336.392 1.472 20 5 EDBDRO C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000430964889 305071405 /nfs/dbraw/zinc/07/14/05/305071405.db2.gz JKHARBGERXLKBY-ONGXEEELSA-N 1 0 326.784 1.856 20 5 EDBDRO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCNC1=O ZINC000440956335 305214705 /nfs/dbraw/zinc/21/47/05/305214705.db2.gz AZXNFULDHCMXSH-LBPRGKRZSA-N 1 0 348.359 1.103 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C ZINC000445127878 305257011 /nfs/dbraw/zinc/25/70/11/305257011.db2.gz DGPUXFQGASEFMM-WDEREUQCSA-N 1 0 346.391 1.753 20 5 EDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000449119989 305307232 /nfs/dbraw/zinc/30/72/32/305307232.db2.gz BOZXIQZRJLFDCC-BBRMVZONSA-N 1 0 334.420 1.455 20 5 EDBDRO C[C@H](CCC[NH3+])NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000449565432 305313786 /nfs/dbraw/zinc/31/37/86/305313786.db2.gz JRCXFVRTTNVJGA-LLVKDONJSA-N 1 0 331.376 1.853 20 5 EDBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000449599235 305314997 /nfs/dbraw/zinc/31/49/97/305314997.db2.gz KKUHIFQKUJJEMD-OAHLLOKOSA-N 1 0 345.403 1.924 20 5 EDBDRO CC1(C)[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000451484391 305349215 /nfs/dbraw/zinc/34/92/15/305349215.db2.gz ZULLEMNRXZJGHT-NWANDNLSSA-N 1 0 333.388 1.987 20 5 EDBDRO CCn1cc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000451889383 305372153 /nfs/dbraw/zinc/37/21/53/305372153.db2.gz MJIAPRRZPXJDAY-TZMCWYRMSA-N 1 0 334.376 1.902 20 5 EDBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000493395668 305615905 /nfs/dbraw/zinc/61/59/05/305615905.db2.gz VODAYJOKJLZCMT-VTAQAIMTSA-N 1 0 345.399 1.963 20 5 EDBDRO [NH3+]C[C@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000514924518 305709646 /nfs/dbraw/zinc/70/96/46/305709646.db2.gz NSWICCCXCNYSPE-HNNXBMFYSA-N 1 0 336.392 1.790 20 5 EDBDRO CCc1cccc2c1OCC[C@H]2[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515234199 305717432 /nfs/dbraw/zinc/71/74/32/305717432.db2.gz BIWBFUFDHOIDOA-GOEBONIOSA-N 1 0 346.387 1.828 20 5 EDBDRO CO[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000516922603 305744124 /nfs/dbraw/zinc/74/41/24/305744124.db2.gz JQRXQBZMXDDAHH-AWEZNQCLSA-N 1 0 328.390 1.383 20 5 EDBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000530859214 305948053 /nfs/dbraw/zinc/94/80/53/305948053.db2.gz YRAAPDOAPMRRKX-UHFFFAOYSA-N 1 0 338.408 1.553 20 5 EDBDRO C[C@H](c1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1)N1CCOCC1 ZINC000548414156 306127535 /nfs/dbraw/zinc/12/75/35/306127535.db2.gz SOACXKKFYOKSCU-LLVKDONJSA-N 1 0 345.359 1.963 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000548698523 306135699 /nfs/dbraw/zinc/13/56/99/306135699.db2.gz NOGSUEFFJLEURR-LBPRGKRZSA-N 1 0 327.406 1.666 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H](CO)[C@H](O)C3)o2)c1 ZINC000554742176 306197310 /nfs/dbraw/zinc/19/73/10/306197310.db2.gz ULINFNQOVSSJEH-DZGCQCFKSA-N 1 0 347.371 1.467 20 5 EDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COC[C@H]1CCCO1 ZINC000554835320 306198474 /nfs/dbraw/zinc/19/84/74/306198474.db2.gz SHGGVTULCONOFZ-IAGOWNOFSA-N 1 0 338.404 1.626 20 5 EDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1 ZINC000556974283 306222315 /nfs/dbraw/zinc/22/23/15/306222315.db2.gz AEIQDPZEWWQLDM-STQMWFEESA-N 1 0 325.390 1.064 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000493735182 447382344 /nfs/dbraw/zinc/38/23/44/447382344.db2.gz HEZTVWQTZXJAPR-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000449707216 447387429 /nfs/dbraw/zinc/38/74/29/447387429.db2.gz PXWXHSFWOSDTMU-OAHLLOKOSA-N 1 0 343.387 1.898 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000378356704 447420805 /nfs/dbraw/zinc/42/08/05/447420805.db2.gz AJBJQHPTCTWIGU-AWEZNQCLSA-N 1 0 333.436 1.903 20 5 EDBDRO CC(C)C[NH+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000045262787 440968010 /nfs/dbraw/zinc/96/80/10/440968010.db2.gz HZMPTFRKWGALBU-UHFFFAOYSA-N 1 0 331.376 1.885 20 5 EDBDRO Cc1cc(N2CCN(C(=O)C[NH+](C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000080554236 441179038 /nfs/dbraw/zinc/17/90/38/441179038.db2.gz BWEJQQIFYDFIBO-UHFFFAOYSA-N 1 0 340.811 1.767 20 5 EDBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000060669820 441255917 /nfs/dbraw/zinc/25/59/17/441255917.db2.gz BKZVVMOJLFFCQK-LBPRGKRZSA-N 1 0 349.387 1.970 20 5 EDBDRO C[N@H+](CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000073051657 441289001 /nfs/dbraw/zinc/28/90/01/441289001.db2.gz RXPXDNQAHJYOFQ-UHFFFAOYSA-N 1 0 335.360 1.119 20 5 EDBDRO C[C@@H](CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[N@H+](C)C1CC1 ZINC000073075189 441290905 /nfs/dbraw/zinc/29/09/05/441290905.db2.gz QFUCYMYMGUMBHH-NSHDSACASA-N 1 0 349.387 1.507 20 5 EDBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000048313036 441291419 /nfs/dbraw/zinc/29/14/19/441291419.db2.gz XOEMPHSURGSDDF-GFCCVEGCSA-N 1 0 348.363 1.123 20 5 EDBDRO Cc1nn(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000106856632 441378717 /nfs/dbraw/zinc/37/87/17/441378717.db2.gz TXYUNVKTOHWKME-LBPRGKRZSA-N 1 0 339.396 1.965 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC([NH+](C)C)CC2)c1C ZINC000073842293 441359749 /nfs/dbraw/zinc/35/97/49/441359749.db2.gz SLELLUSZJRUUHJ-UHFFFAOYSA-N 1 0 341.433 1.926 20 5 EDBDRO CC1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000052160122 441436679 /nfs/dbraw/zinc/43/66/79/441436679.db2.gz AKRYPDNYQYKKKN-UHFFFAOYSA-N 1 0 342.421 1.386 20 5 EDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)N1CC[NH+](C)CC1 ZINC000074139884 441399538 /nfs/dbraw/zinc/39/95/38/441399538.db2.gz CFPDHSNVEJVLEI-CYBMUJFWSA-N 1 0 349.435 1.027 20 5 EDBDRO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000108831563 441476899 /nfs/dbraw/zinc/47/68/99/441476899.db2.gz GTEHBSBNBMWHMP-LBPRGKRZSA-N 1 0 329.422 1.745 20 5 EDBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c1 ZINC000029965243 441481954 /nfs/dbraw/zinc/48/19/54/441481954.db2.gz FWCWFEOTNAAWIT-UHFFFAOYSA-N 1 0 330.344 1.275 20 5 EDBDRO CC[N@H+](C)Cc1cccc(CNC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000065881084 441491981 /nfs/dbraw/zinc/49/19/81/441491981.db2.gz FXBUPGUPJOJCEM-UHFFFAOYSA-N 1 0 345.403 1.950 20 5 EDBDRO COC[C@@](C)(CCO)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000085903118 441455021 /nfs/dbraw/zinc/45/50/21/441455021.db2.gz LVKUNMRPAOIAFG-OAHLLOKOSA-N 1 0 325.365 1.219 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000029621730 441465981 /nfs/dbraw/zinc/46/59/81/441465981.db2.gz OMZFJUVPAAPQRG-SNVBAGLBSA-N 1 0 330.410 1.384 20 5 EDBDRO C[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[NH+]1CCCC1 ZINC000052641556 441466938 /nfs/dbraw/zinc/46/69/38/441466938.db2.gz HNHCEIUTIZWPPU-ZDUSSCGKSA-N 1 0 343.387 1.995 20 5 EDBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000110019051 441513071 /nfs/dbraw/zinc/51/30/71/441513071.db2.gz MYVGMJAUQVABOV-BQYQJAHWSA-N 1 0 346.431 1.704 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000075712039 441550874 /nfs/dbraw/zinc/55/08/74/441550874.db2.gz BLXNGBJTMUJFFS-GDBMZVCRSA-N 1 0 337.424 1.103 20 5 EDBDRO COc1ccc(NC(=O)CN2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000109804897 441507994 /nfs/dbraw/zinc/50/79/94/441507994.db2.gz WQOUJCYZWSQMAV-GFCCVEGCSA-N 1 0 336.392 1.568 20 5 EDBDRO CC1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000066614337 441552057 /nfs/dbraw/zinc/55/20/57/441552057.db2.gz OGNSPTVIJMRAIP-UHFFFAOYSA-N 1 0 349.387 1.828 20 5 EDBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066614585 441552107 /nfs/dbraw/zinc/55/21/07/441552107.db2.gz MXOMKLSXJSIFGW-LBPRGKRZSA-N 1 0 349.387 1.970 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000066640942 441556573 /nfs/dbraw/zinc/55/65/73/441556573.db2.gz JLWPSALAEYIHKX-GFCCVEGCSA-N 1 0 349.387 1.826 20 5 EDBDRO C[NH+](C)CCNC(=O)c1cccc(CNc2ncccc2[N+](=O)[O-])c1 ZINC000066816385 441570949 /nfs/dbraw/zinc/57/09/49/441570949.db2.gz YZTGVOPWQLQPPK-UHFFFAOYSA-N 1 0 343.387 1.893 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067151751 441611468 /nfs/dbraw/zinc/61/14/68/441611468.db2.gz YRSRZHKNUXXPQS-LLVKDONJSA-N 1 0 337.376 1.826 20 5 EDBDRO CC[NH+]1CCC(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000033240797 441593031 /nfs/dbraw/zinc/59/30/31/441593031.db2.gz KBDIFSLNYSCAEE-UHFFFAOYSA-N 1 0 343.387 1.995 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000090551811 441633439 /nfs/dbraw/zinc/63/34/39/441633439.db2.gz IRTDUIPLTSLHID-KRWDZBQOSA-N 1 0 343.383 1.738 20 5 EDBDRO CC1CC[NH+](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000076367957 441636623 /nfs/dbraw/zinc/63/66/23/441636623.db2.gz NCGZWLHYRKOGAS-UHFFFAOYSA-N 1 0 349.387 1.828 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000041967741 441688700 /nfs/dbraw/zinc/68/87/00/441688700.db2.gz PJBKWUUCZKBVER-UHFFFAOYSA-N 1 0 325.365 1.058 20 5 EDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000067915398 441695537 /nfs/dbraw/zinc/69/55/37/441695537.db2.gz MKOIXJXCIHSLOH-CQSZACIVSA-N 1 0 335.404 1.994 20 5 EDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000115441919 441744274 /nfs/dbraw/zinc/74/42/74/441744274.db2.gz JXTNUAJQYBAJAG-LLVKDONJSA-N 1 0 336.348 1.917 20 5 EDBDRO C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CN1C1CC1 ZINC000124142070 441910049 /nfs/dbraw/zinc/91/00/49/441910049.db2.gz TWGBJIROEOSGIM-VHSXEESVSA-N 1 0 343.380 1.637 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000077925917 441886761 /nfs/dbraw/zinc/88/67/61/441886761.db2.gz OYJKKRJCYMTLLX-INIZCTEOSA-N 1 0 343.387 1.995 20 5 EDBDRO C[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000069129318 441896332 /nfs/dbraw/zinc/89/63/32/441896332.db2.gz DPVLMKOKHDVHNS-NSHDSACASA-N 1 0 327.406 1.497 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000161076353 441954129 /nfs/dbraw/zinc/95/41/29/441954129.db2.gz NNXACTXHAZUFAU-CHWSQXEVSA-N 1 0 329.360 1.780 20 5 EDBDRO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])o1 ZINC000119809448 441955436 /nfs/dbraw/zinc/95/54/36/441955436.db2.gz ILTSMAOBMGHZQC-AWEZNQCLSA-N 1 0 345.355 1.337 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000069502591 441955537 /nfs/dbraw/zinc/95/55/37/441955537.db2.gz UWVSAQVYXKKCST-ZDUSSCGKSA-N 1 0 346.387 1.917 20 5 EDBDRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000124887803 441964057 /nfs/dbraw/zinc/96/40/57/441964057.db2.gz ZIRPNIIGBZNGNK-DTWKUNHWSA-N 1 0 333.797 1.796 20 5 EDBDRO Cn1cc(C[NH2+][C@H]2CCC(=O)N(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000119963143 441983735 /nfs/dbraw/zinc/98/37/35/441983735.db2.gz JYOZCKOOSVRBFP-AWEZNQCLSA-N 1 0 343.387 1.706 20 5 EDBDRO C[NH+](C)CCn1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])n1 ZINC000119991701 441989862 /nfs/dbraw/zinc/98/98/62/441989862.db2.gz XNUIWHWUPOAOOH-UHFFFAOYSA-N 1 0 332.364 1.404 20 5 EDBDRO C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[N@@H+]1CCc2ccccc2C1 ZINC000161571352 442012372 /nfs/dbraw/zinc/01/23/72/442012372.db2.gz GCYIIGAMVGSPBN-GFCCVEGCSA-N 1 0 343.387 1.505 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCC[NH2+]C1 ZINC000120212924 442030449 /nfs/dbraw/zinc/03/04/49/442030449.db2.gz QTZANFISVGATBC-SNVBAGLBSA-N 1 0 342.193 1.768 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](CCO)C(C)C)c([N+](=O)[O-])c1 ZINC000162181527 442072069 /nfs/dbraw/zinc/07/20/69/442072069.db2.gz FMGOULJJWYMXSR-CYBMUJFWSA-N 1 0 339.392 1.929 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000151775000 442119252 /nfs/dbraw/zinc/11/92/52/442119252.db2.gz RWOMKCVUSXDNHN-HNNXBMFYSA-N 1 0 346.391 1.393 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000175822606 442129779 /nfs/dbraw/zinc/12/97/79/442129779.db2.gz AGFWPLZCDSVAPU-ZDUSSCGKSA-N 1 0 341.433 1.974 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000080011700 442107137 /nfs/dbraw/zinc/10/71/37/442107137.db2.gz ZRLSDTZYNSQWHR-ZDUSSCGKSA-N 1 0 338.408 1.923 20 5 EDBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000164033171 442188126 /nfs/dbraw/zinc/18/81/26/442188126.db2.gz OBOBMQWVESYSJS-BETUJISGSA-N 1 0 328.372 1.972 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3nnc4ccccn43)CC2)n1 ZINC000176197575 442189172 /nfs/dbraw/zinc/18/91/72/442189172.db2.gz JWVZYLSBXWMHHB-UHFFFAOYSA-N 1 0 341.375 1.714 20 5 EDBDRO C[NH+](C)C1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000177154935 442306518 /nfs/dbraw/zinc/30/65/18/442306518.db2.gz PRSUBIKQYLNUKN-UHFFFAOYSA-N 1 0 338.383 1.490 20 5 EDBDRO COc1cc(OCC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000177168833 442308876 /nfs/dbraw/zinc/30/88/76/442308876.db2.gz BTKGRHSNGDSLNF-NWDGAFQWSA-N 1 0 349.387 1.724 20 5 EDBDRO O=C(CN1CC[C@@H](C[NH+]2CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000129426394 442315930 /nfs/dbraw/zinc/31/59/30/442315930.db2.gz RONMBFJOULLPDL-AWEZNQCLSA-N 1 0 348.403 1.187 20 5 EDBDRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000171628752 442364362 /nfs/dbraw/zinc/36/43/62/442364362.db2.gz VDKFBXQCUPKTCY-SECBINFHSA-N 1 0 347.824 1.996 20 5 EDBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000131210450 442367404 /nfs/dbraw/zinc/36/74/04/442367404.db2.gz RPSGIZOSRSKDCH-CQSZACIVSA-N 1 0 339.417 1.499 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000177754501 442379789 /nfs/dbraw/zinc/37/97/89/442379789.db2.gz XCPQKHCUUCOBQV-CVEARBPZSA-N 1 0 335.404 1.505 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000155419252 442397369 /nfs/dbraw/zinc/39/73/69/442397369.db2.gz SEFODUPWSJNXTC-ZFWWWQNUSA-N 1 0 332.404 1.949 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH2+]C)C2)cc1OC ZINC000133266780 442410424 /nfs/dbraw/zinc/41/04/24/442410424.db2.gz NJQAEFVUHLBZNN-NSHDSACASA-N 1 0 337.376 1.826 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000133587288 442425691 /nfs/dbraw/zinc/42/56/91/442425691.db2.gz VUHANLXGKUFMFO-IUODEOHRSA-N 1 0 332.404 1.875 20 5 EDBDRO CN(C(=O)CN1CCC[C@H](OCCO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000172302054 442438683 /nfs/dbraw/zinc/43/86/83/442438683.db2.gz FDIHVZCPHQZCGD-HNNXBMFYSA-N 1 0 337.376 1.031 20 5 EDBDRO CCNS(=O)(=O)[C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000179453997 442459214 /nfs/dbraw/zinc/45/92/14/442459214.db2.gz HDBWPWNRNFORQC-GFCCVEGCSA-N 1 0 347.824 1.762 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000156388321 442475653 /nfs/dbraw/zinc/47/56/53/442475653.db2.gz PAANSWQNIZKPNJ-STQMWFEESA-N 1 0 343.387 1.980 20 5 EDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H](c1ccccc1)[NH+](C)C ZINC000186485902 442543778 /nfs/dbraw/zinc/54/37/78/442543778.db2.gz ZZZVTNCWVLZALV-ABAIWWIYSA-N 1 0 343.387 1.993 20 5 EDBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000179857850 442513114 /nfs/dbraw/zinc/51/31/14/442513114.db2.gz OUVGHTGEGSYGQJ-GFCCVEGCSA-N 1 0 333.388 1.889 20 5 EDBDRO CCCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000178882975 442513554 /nfs/dbraw/zinc/51/35/54/442513554.db2.gz IBFJBYBDMIYGNX-ZDUSSCGKSA-N 1 0 344.375 1.390 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000173028216 442589102 /nfs/dbraw/zinc/58/91/02/442589102.db2.gz HHJUIJBSQDVOFI-OAHLLOKOSA-N 1 0 346.387 1.021 20 5 EDBDRO CCOC(=O)C[C@@](C)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000186684945 442591202 /nfs/dbraw/zinc/59/12/02/442591202.db2.gz RSIYRPDSWWPUQX-MRXNPFEDSA-N 1 0 339.392 1.714 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186700571 442594853 /nfs/dbraw/zinc/59/48/53/442594853.db2.gz LHOYKGYBTLYBKZ-GOSISDBHSA-N 1 0 341.367 1.888 20 5 EDBDRO C[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000179221595 442600146 /nfs/dbraw/zinc/60/01/46/442600146.db2.gz KXMQCPPSIFVOTN-BLLLJJGKSA-N 1 0 343.387 1.980 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173271144 442637642 /nfs/dbraw/zinc/63/76/42/442637642.db2.gz RKADPCRHNFXHJJ-CQSZACIVSA-N 1 0 335.408 1.562 20 5 EDBDRO C[NH+](C)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])cnc2N)cc1 ZINC000180503515 442613665 /nfs/dbraw/zinc/61/36/65/442613665.db2.gz GJHFCCSLDAIWSM-UHFFFAOYSA-N 1 0 329.360 1.564 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173224898 442627660 /nfs/dbraw/zinc/62/76/60/442627660.db2.gz XHVWYLWXPYQDBT-CQSZACIVSA-N 1 0 344.371 1.314 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000173244492 442631899 /nfs/dbraw/zinc/63/18/99/442631899.db2.gz IBBISBACNKLBAD-MFKMUULPSA-N 1 0 345.396 1.695 20 5 EDBDRO Cc1ccc(C[N@H+](CCO)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000181983146 442725293 /nfs/dbraw/zinc/72/52/93/442725293.db2.gz UKTBYEWREUXBDD-UHFFFAOYSA-N 1 0 331.372 1.559 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000193300380 442730872 /nfs/dbraw/zinc/73/08/72/442730872.db2.gz BHBOLIHLGUBYGP-LBPRGKRZSA-N 1 0 327.406 1.584 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1OC ZINC000193517648 442750373 /nfs/dbraw/zinc/75/03/73/442750373.db2.gz VLUNAXQIPGRLOB-CMPLNLGQSA-N 1 0 337.376 1.872 20 5 EDBDRO CC(C)C(=O)NCC[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182329476 442757796 /nfs/dbraw/zinc/75/77/96/442757796.db2.gz CYXIIYWONPLJOO-ZDUSSCGKSA-N 1 0 339.392 1.039 20 5 EDBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000193698680 442768641 /nfs/dbraw/zinc/76/86/41/442768641.db2.gz AISKIJRXVOEMSD-NSHDSACASA-N 1 0 340.405 1.116 20 5 EDBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000182550136 442785090 /nfs/dbraw/zinc/78/50/90/442785090.db2.gz BCCKCCZZQFXZCP-ZDUSSCGKSA-N 1 0 331.376 1.428 20 5 EDBDRO C[NH+](C)C[C@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000268117474 442854696 /nfs/dbraw/zinc/85/46/96/442854696.db2.gz KJAFZHKGARKEGT-LLVKDONJSA-N 1 0 325.340 1.665 20 5 EDBDRO CCCN1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000189365696 442931040 /nfs/dbraw/zinc/93/10/40/442931040.db2.gz QPXJGIAPBXBZDG-UHFFFAOYSA-N 1 0 348.403 1.868 20 5 EDBDRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000194735525 442944791 /nfs/dbraw/zinc/94/47/91/442944791.db2.gz PNICBTJGALYJLN-LBPRGKRZSA-N 1 0 327.406 1.584 20 5 EDBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000194943884 442971187 /nfs/dbraw/zinc/97/11/87/442971187.db2.gz JMCWKRRBSCAZMM-LBPRGKRZSA-N 1 0 327.406 1.839 20 5 EDBDRO COC(=O)c1cc(NCCN2CC[NH+](C)CC2)cc(C)c1[N+](=O)[O-] ZINC000268467893 442999241 /nfs/dbraw/zinc/99/92/41/442999241.db2.gz GXSQXSLKHXPOGD-UHFFFAOYSA-N 1 0 336.392 1.349 20 5 EDBDRO COC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000251535924 443015025 /nfs/dbraw/zinc/01/50/25/443015025.db2.gz DKOJTWWFHIMAAK-DOMZBBRYSA-N 1 0 337.376 1.659 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000266172721 443044228 /nfs/dbraw/zinc/04/42/28/443044228.db2.gz UOHDZNBZOXPQOO-UHFFFAOYSA-N 1 0 338.408 1.481 20 5 EDBDRO C[C@H]1CSC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000296582570 318708354 /nfs/dbraw/zinc/70/83/54/318708354.db2.gz WZYSAUWIPMGWHV-GXFFZTMASA-N 1 0 345.446 1.214 20 5 EDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000184896575 443093271 /nfs/dbraw/zinc/09/32/71/443093271.db2.gz PTSWYVIACXBXDO-GFCCVEGCSA-N 1 0 333.392 1.566 20 5 EDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000255342071 443095323 /nfs/dbraw/zinc/09/53/23/443095323.db2.gz OBGPKHPCUFAJDW-PLNGDYQASA-N 1 0 345.399 1.931 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000266188514 443050912 /nfs/dbraw/zinc/05/09/12/443050912.db2.gz MOCGJBJXNWHWLC-SNVBAGLBSA-N 1 0 331.394 1.222 20 5 EDBDRO Cc1cc(F)c(NC(=O)C(=O)N(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000297531179 318767729 /nfs/dbraw/zinc/76/77/29/318767729.db2.gz WBGPHJNDAJXTAI-UHFFFAOYSA-N 1 0 326.328 1.001 20 5 EDBDRO Cc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000268685445 443077299 /nfs/dbraw/zinc/07/72/99/443077299.db2.gz HKANPVRPYTVZRA-AWEZNQCLSA-N 1 0 343.387 1.973 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C[NH3+])CC(C)C)cc1C ZINC000236673832 443143133 /nfs/dbraw/zinc/14/31/33/443143133.db2.gz VVYOHUYMTUPQFQ-LBPRGKRZSA-N 1 0 329.422 1.863 20 5 EDBDRO O=C(CC[N@@H+]1CCO[C@]2(CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000185152913 443148633 /nfs/dbraw/zinc/14/86/33/443148633.db2.gz QYCHGKZSYOLHKK-MRXNPFEDSA-N 1 0 335.360 1.415 20 5 EDBDRO CC[NH+]1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])c(OC)c3)C2)CC1 ZINC000266380662 443112084 /nfs/dbraw/zinc/11/20/84/443112084.db2.gz MXXFRQDQEAAWON-OAHLLOKOSA-N 1 0 334.420 1.820 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000268831185 443121067 /nfs/dbraw/zinc/12/10/67/443121067.db2.gz VXVBGLFSWXMWRE-LBPRGKRZSA-N 1 0 343.405 1.318 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000261655565 443163339 /nfs/dbraw/zinc/16/33/39/443163339.db2.gz FUDBZIJFQHWXEM-QWHCGFSZSA-N 1 0 341.433 1.960 20 5 EDBDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000185228124 443164922 /nfs/dbraw/zinc/16/49/22/443164922.db2.gz ZQHMMESRGXRJLU-UHFFFAOYSA-N 1 0 341.433 1.493 20 5 EDBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185233246 443165722 /nfs/dbraw/zinc/16/57/22/443165722.db2.gz RIAHSLBOHLPTLZ-UHFFFAOYSA-N 1 0 345.396 1.757 20 5 EDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000237627653 443177539 /nfs/dbraw/zinc/17/75/39/443177539.db2.gz GMEXVDSQWUQEAE-WDEREUQCSA-N 1 0 330.348 1.127 20 5 EDBDRO Cc1c(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000237629700 443177676 /nfs/dbraw/zinc/17/76/76/443177676.db2.gz AOEOPDBSYPDWHV-CMPLNLGQSA-N 1 0 344.375 1.436 20 5 EDBDRO COCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccccc1 ZINC000266534575 443159308 /nfs/dbraw/zinc/15/93/08/443159308.db2.gz NQNVLBIENIMOMZ-RHSMWYFYSA-N 1 0 348.403 1.862 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@](C)(C[NH3+])C2)c1C ZINC000261640832 443161815 /nfs/dbraw/zinc/16/18/15/443161815.db2.gz DMMPFCKSWNVITL-CQSZACIVSA-N 1 0 327.406 1.571 20 5 EDBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000185686819 443238899 /nfs/dbraw/zinc/23/88/99/443238899.db2.gz DMXSLDMTJAYRGQ-ZDUSSCGKSA-N 1 0 338.412 1.355 20 5 EDBDRO O=C(NCCCN1CC[NH2+]CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269110775 443200620 /nfs/dbraw/zinc/20/06/20/443200620.db2.gz OVZZBTZXLHAGEU-UHFFFAOYSA-N 1 0 332.360 1.366 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262740819 443209935 /nfs/dbraw/zinc/20/99/35/443209935.db2.gz CBYPZTMCHNBSPY-IUCAKERBSA-N 1 0 347.368 1.113 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000350391640 319048304 /nfs/dbraw/zinc/04/83/04/319048304.db2.gz NKUODNFCRTXDQK-SWLSCSKDSA-N 1 0 333.348 1.909 20 5 EDBDRO C[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000269249012 443250282 /nfs/dbraw/zinc/25/02/82/443250282.db2.gz ZKPCNPYXKBFPRC-AAEUAGOBSA-N 1 0 344.375 1.293 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000412003913 319221285 /nfs/dbraw/zinc/22/12/85/319221285.db2.gz QYGBVNXBWFJQHE-UHFFFAOYSA-N 1 0 347.415 1.533 20 5 EDBDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]1C ZINC000414091830 319317131 /nfs/dbraw/zinc/31/71/31/319317131.db2.gz LFRBPURJFCABAY-XQQFMLRXSA-N 1 0 341.433 1.897 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC000414466658 319328001 /nfs/dbraw/zinc/32/80/01/319328001.db2.gz WQFVIFODLKCFAH-STQMWFEESA-N 1 0 341.433 1.973 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000414661770 319337971 /nfs/dbraw/zinc/33/79/71/319337971.db2.gz XXKVYUZYIZCTAC-LLVKDONJSA-N 1 0 330.291 1.722 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NCCC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000415807710 319371393 /nfs/dbraw/zinc/37/13/93/319371393.db2.gz RGCALYSNBWDBMJ-LBPRGKRZSA-N 1 0 334.376 1.490 20 5 EDBDRO CN(C1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1)S(C)(=O)=O ZINC000267039978 443320937 /nfs/dbraw/zinc/32/09/37/443320937.db2.gz YSHJSYDKEHQTHB-UHFFFAOYSA-N 1 0 345.396 1.590 20 5 EDBDRO [NH3+]C1(CNC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCC1 ZINC000418518264 319503930 /nfs/dbraw/zinc/50/39/30/319503930.db2.gz LBOFTXPZWILEOG-UHFFFAOYSA-N 1 0 333.392 1.308 20 5 EDBDRO COCCOCCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282431844 443337005 /nfs/dbraw/zinc/33/70/05/443337005.db2.gz HNBUSNLQKYUJNM-UHFFFAOYSA-N 1 0 330.356 1.845 20 5 EDBDRO C[NH+](C)Cc1ccc(-c2noc(Cn3cc([N+](=O)[O-])cn3)n2)cc1 ZINC000267089894 443338249 /nfs/dbraw/zinc/33/82/49/443338249.db2.gz RZOGRBAMKJTEEE-UHFFFAOYSA-N 1 0 328.332 1.951 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000272630073 443389147 /nfs/dbraw/zinc/38/91/47/443389147.db2.gz NCCONWZDFZFQQK-IINYFYTJSA-N 1 0 329.360 1.637 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000278577200 443366787 /nfs/dbraw/zinc/36/67/87/443366787.db2.gz JVETUJZSRBVLCH-STQMWFEESA-N 1 0 336.392 1.822 20 5 EDBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000264678146 443371068 /nfs/dbraw/zinc/37/10/68/443371068.db2.gz KJPZNGLBDHZAJI-LLVKDONJSA-N 1 0 326.784 1.224 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000264795437 443429100 /nfs/dbraw/zinc/42/91/00/443429100.db2.gz SKIUGKKQRDNSAF-ZDUSSCGKSA-N 1 0 334.376 1.593 20 5 EDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCC[NH+]1CCSCC1 ZINC000264843249 443450010 /nfs/dbraw/zinc/45/00/10/443450010.db2.gz XTLWJTIECIQWGN-UHFFFAOYSA-N 1 0 338.433 1.562 20 5 EDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267443639 443459069 /nfs/dbraw/zinc/45/90/69/443459069.db2.gz PMSGRHNKZNAGSC-CYBMUJFWSA-N 1 0 334.376 1.781 20 5 EDBDRO C[C@@]1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCC[NH2+]C1 ZINC000272954629 443500461 /nfs/dbraw/zinc/50/04/61/443500461.db2.gz FBWQLBLZAMBYHX-MRXNPFEDSA-N 1 0 335.360 1.486 20 5 EDBDRO C[C@@]1(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000273033083 443525000 /nfs/dbraw/zinc/52/50/00/443525000.db2.gz SNXTXJUIQJQBCI-QGZVFWFLSA-N 1 0 343.387 1.900 20 5 EDBDRO CS[C@H]1CC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000425341036 319832211 /nfs/dbraw/zinc/83/22/11/319832211.db2.gz FMSBSUJKXWYHRI-STQMWFEESA-N 1 0 345.446 1.357 20 5 EDBDRO C[NH+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000279366864 443565406 /nfs/dbraw/zinc/56/54/06/443565406.db2.gz LBCLOCKGQAIGQM-UHFFFAOYSA-N 1 0 342.204 1.742 20 5 EDBDRO C[NH2+][C@H]1CCN(C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000428420716 319911525 /nfs/dbraw/zinc/91/15/25/319911525.db2.gz OFAWOSMQXORUCU-LBPRGKRZSA-N 1 0 339.417 1.657 20 5 EDBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000265417022 443635466 /nfs/dbraw/zinc/63/54/66/443635466.db2.gz BSBQNPUWRXCPJJ-UHFFFAOYSA-N 1 0 341.795 1.825 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272336396 443595372 /nfs/dbraw/zinc/59/53/72/443595372.db2.gz NPUTWDFIQXWANW-BXKDBHETSA-N 1 0 333.344 1.536 20 5 EDBDRO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000283377642 443617015 /nfs/dbraw/zinc/61/70/15/443617015.db2.gz CXEFAYZNWSPPMP-UHFFFAOYSA-N 1 0 342.403 1.922 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000440753575 320079318 /nfs/dbraw/zinc/07/93/18/320079318.db2.gz ZTDWBBVKYRKOCP-ZDUSSCGKSA-N 1 0 339.417 1.727 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000440802022 320080481 /nfs/dbraw/zinc/08/04/81/320080481.db2.gz RBRXGNPBLCZFED-ZDUSSCGKSA-N 1 0 341.433 1.961 20 5 EDBDRO COc1cc(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000440803020 320080576 /nfs/dbraw/zinc/08/05/76/320080576.db2.gz LLCOLAQLXRSMGY-NSHDSACASA-N 1 0 343.405 1.353 20 5 EDBDRO COc1nccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000449373004 320185586 /nfs/dbraw/zinc/18/55/86/320185586.db2.gz MVBPCGOEMWTMBE-NSHDSACASA-N 1 0 345.359 1.900 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451699285 320237807 /nfs/dbraw/zinc/23/78/07/320237807.db2.gz UTHLXFFGBTUFSI-UXIGCNINSA-N 1 0 333.388 1.677 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000452115831 320242852 /nfs/dbraw/zinc/24/28/52/320242852.db2.gz MGVNSXOBBMBKLY-CABCVRRESA-N 1 0 337.420 1.749 20 5 EDBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@@H](C)C1 ZINC000452121573 320243336 /nfs/dbraw/zinc/24/33/36/320243336.db2.gz KNHKYAQQTMJNED-MJVIPROJSA-N 1 0 334.376 1.498 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000452354933 320247845 /nfs/dbraw/zinc/24/78/45/320247845.db2.gz WPIIGEHXCNHOGJ-GFCCVEGCSA-N 1 0 337.376 1.180 20 5 EDBDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CC2 ZINC000514651841 320430191 /nfs/dbraw/zinc/43/01/91/320430191.db2.gz XCXVEWLJWBPTMV-MGPQQGTHSA-N 1 0 345.407 1.780 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[N@H+](C)CC1 ZINC000290972885 443724347 /nfs/dbraw/zinc/72/43/47/443724347.db2.gz DLQFZWARFTVQDZ-UHFFFAOYSA-N 1 0 334.376 1.260 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000298493560 443783264 /nfs/dbraw/zinc/78/32/64/443783264.db2.gz NLBUGVBBRVIUSR-KGLIPLIRSA-N 1 0 339.417 1.808 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000298642566 443827284 /nfs/dbraw/zinc/82/72/84/443827284.db2.gz PTWVCRMIKDXYAP-UHFFFAOYSA-N 1 0 334.376 1.396 20 5 EDBDRO COc1cc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000298572154 443803674 /nfs/dbraw/zinc/80/36/74/443803674.db2.gz KPNSXYFDNGPRMP-CYBMUJFWSA-N 1 0 337.376 1.180 20 5 EDBDRO COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[NH+](C)C)c1 ZINC000298888234 443893422 /nfs/dbraw/zinc/89/34/22/443893422.db2.gz TYBXRXOFKNWKBY-CQSZACIVSA-N 1 0 332.360 1.964 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000281391969 443898409 /nfs/dbraw/zinc/89/84/09/443898409.db2.gz NACKQMGTKVNBGX-ARFHVFGLSA-N 1 0 335.404 1.772 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000537962507 320740479 /nfs/dbraw/zinc/74/04/79/320740479.db2.gz BMXTZZDFFMHVFP-WCQYABFASA-N 1 0 328.390 1.367 20 5 EDBDRO CN(C(=O)CN1CCC[C@@H]([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000277077775 443904428 /nfs/dbraw/zinc/90/44/28/443904428.db2.gz FBMZDMIWVIVQEL-CQSZACIVSA-N 1 0 334.420 1.974 20 5 EDBDRO CN(CCc1ccccc1[N+](=O)[O-])C[C@H]1CCCS(=O)(=O)C1 ZINC000285273012 443921395 /nfs/dbraw/zinc/92/13/95/443921395.db2.gz ITKSXIPJPYAETA-CYBMUJFWSA-N 1 0 326.418 1.894 20 5 EDBDRO C[C@H](CCNS(=O)(=O)c1cccnc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000544187354 320789942 /nfs/dbraw/zinc/78/99/42/320789942.db2.gz WFYKOCRYJZAZCJ-GFCCVEGCSA-N 1 0 342.421 1.533 20 5 EDBDRO O=C(CC[N@H+]1CCC[C@H](O)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000293319379 443982712 /nfs/dbraw/zinc/98/27/12/443982712.db2.gz XMMGANDZRDWNSO-LBPRGKRZSA-N 1 0 325.340 1.909 20 5 EDBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(F)cncc1F ZINC000285580515 444035533 /nfs/dbraw/zinc/03/55/33/444035533.db2.gz IEIPODAKLGKMGN-WCBMZHEXSA-N 1 0 327.291 1.176 20 5 EDBDRO C[N@@H+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])s2)CC1(C)C ZINC000281890907 444032930 /nfs/dbraw/zinc/03/29/30/444032930.db2.gz YCPXNVGAXLTDMW-UHFFFAOYSA-N 1 0 326.422 1.412 20 5 EDBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1[N+](=O)[O-] ZINC000289209662 444077424 /nfs/dbraw/zinc/07/74/24/444077424.db2.gz BWDRJKQETUCXFU-CXAGYDPISA-N 1 0 346.387 1.856 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000285709777 444080555 /nfs/dbraw/zinc/08/05/55/444080555.db2.gz JESDDQOPKZCSIW-KBPBESRZSA-N 1 0 339.779 1.793 20 5 EDBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000564693104 321142087 /nfs/dbraw/zinc/14/20/87/321142087.db2.gz IZNJMVRKAWLLKV-NSHDSACASA-N 1 0 337.376 1.825 20 5 EDBDRO Cc1ccc(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000564855739 321151676 /nfs/dbraw/zinc/15/16/76/321151676.db2.gz HAIWGBNGNXNMBE-OAHLLOKOSA-N 1 0 331.372 1.870 20 5 EDBDRO COCCN1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000564857663 321152015 /nfs/dbraw/zinc/15/20/15/321152015.db2.gz WSKWFWGDZBPWLC-CYBMUJFWSA-N 1 0 336.392 1.234 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000565247525 321179453 /nfs/dbraw/zinc/17/94/53/321179453.db2.gz XERFMUQHABAPHY-VXGBXAGGSA-N 1 0 327.406 1.583 20 5 EDBDRO CC1(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000565458081 321187322 /nfs/dbraw/zinc/18/73/22/321187322.db2.gz WDIPVXLKBMDGGF-UHFFFAOYSA-N 1 0 339.417 1.701 20 5 EDBDRO Cn1c(C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000566972971 321237872 /nfs/dbraw/zinc/23/78/72/321237872.db2.gz IMIKEHWGACOIMW-WFASDCNBSA-N 1 0 336.392 1.292 20 5 EDBDRO CC(C)(CO)CCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000567688468 321252369 /nfs/dbraw/zinc/25/23/69/321252369.db2.gz QRDKYCYXSMWZKP-UHFFFAOYSA-N 1 0 344.433 1.757 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H](O)Cc2ccccc2)c1 ZINC000567872810 321263829 /nfs/dbraw/zinc/26/38/29/321263829.db2.gz HQRVFDCUFLGFSO-IRXDYDNUSA-N 1 0 346.383 1.528 20 5 EDBDRO C[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000569218617 321321813 /nfs/dbraw/zinc/32/18/13/321321813.db2.gz AMVUUTNZJVJBBH-UHFFFAOYSA-N 1 0 335.360 1.438 20 5 EDBDRO C[C@@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[N@H+](C)C1CC1 ZINC000278200713 444116233 /nfs/dbraw/zinc/11/62/33/444116233.db2.gz PVNSVYJTKYZIKY-JTQLQIEISA-N 1 0 346.391 1.753 20 5 EDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000294694736 444137334 /nfs/dbraw/zinc/13/73/34/444137334.db2.gz ALPGEJHYANTLMB-VROVMSAKSA-N 1 0 344.140 1.444 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289490374 444157525 /nfs/dbraw/zinc/15/75/25/444157525.db2.gz IZVDXRFXIHJWNN-GOEBONIOSA-N 1 0 333.388 1.790 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289490376 444157741 /nfs/dbraw/zinc/15/77/41/444157741.db2.gz IZVDXRFXIHJWNN-HOCLYGCPSA-N 1 0 333.388 1.790 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000301360059 444166600 /nfs/dbraw/zinc/16/66/00/444166600.db2.gz OLAURXGTSAYXSF-GDLCADMTSA-N 1 0 331.376 1.009 20 5 EDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000285982912 444168886 /nfs/dbraw/zinc/16/88/86/444168886.db2.gz HXDYLMIKYCEEGH-ZETOZRRWSA-N 1 0 344.375 1.292 20 5 EDBDRO COC(=O)Cc1ccc(NCC[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000296133389 444207395 /nfs/dbraw/zinc/20/73/95/444207395.db2.gz WRYSATYYDOJERY-UHFFFAOYSA-N 1 0 337.376 1.179 20 5 EDBDRO CN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000302680854 444218910 /nfs/dbraw/zinc/21/89/10/444218910.db2.gz WRYFOZHJPFHQGC-UHFFFAOYSA-N 1 0 341.433 1.776 20 5 EDBDRO COC(=O)COC[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295571558 444189474 /nfs/dbraw/zinc/18/94/74/444189474.db2.gz ZYUGKDXMCQEPRO-JTQLQIEISA-N 1 0 330.768 1.958 20 5 EDBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000301943280 444197589 /nfs/dbraw/zinc/19/75/89/444197589.db2.gz VYXOPOLDQXEHHB-UHFFFAOYSA-N 1 0 343.391 1.715 20 5 EDBDRO Cc1cc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000301961082 444198525 /nfs/dbraw/zinc/19/85/25/444198525.db2.gz MNHYOWAVTWMWNE-MRXNPFEDSA-N 1 0 332.404 1.822 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000290162716 444250295 /nfs/dbraw/zinc/25/02/95/444250295.db2.gz OEOOVQATHUWYEY-NEPJUHHUSA-N 1 0 335.360 1.050 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000318962293 444321913 /nfs/dbraw/zinc/32/19/13/444321913.db2.gz WTSHJGVWBXNGLK-SNVBAGLBSA-N 1 0 329.378 1.024 20 5 EDBDRO Cc1cc(NC(=O)C(=O)NCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000297719195 444323221 /nfs/dbraw/zinc/32/32/21/444323221.db2.gz BUAKJGMGYUWHJF-UHFFFAOYSA-N 1 0 334.376 1.444 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000322420035 444339802 /nfs/dbraw/zinc/33/98/02/444339802.db2.gz LLKOVMIHOOOQHZ-ZYHUDNBSSA-N 1 0 343.405 1.351 20 5 EDBDRO COc1cc(C(=O)NC(C)(C)CCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000323885360 444347736 /nfs/dbraw/zinc/34/77/36/444347736.db2.gz NZWHVNZHRKVMEE-UHFFFAOYSA-N 1 0 325.365 1.859 20 5 EDBDRO C[C@H]1CC[NH2+][C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000325986543 444372097 /nfs/dbraw/zinc/37/20/97/444372097.db2.gz BYJJIEDCEYZRNR-JSGCOSHPSA-N 1 0 333.392 1.027 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000297974750 444374334 /nfs/dbraw/zinc/37/43/34/444374334.db2.gz VRALIIZVMISFOR-UHFFFAOYSA-N 1 0 334.376 1.361 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000319857428 444326329 /nfs/dbraw/zinc/32/63/29/444326329.db2.gz QOBMJOCEAZGLIN-LBPRGKRZSA-N 1 0 339.417 1.856 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(CC[NH3+])CC1 ZINC000320526110 444330556 /nfs/dbraw/zinc/33/05/56/444330556.db2.gz DERYPYCVFMUSQC-UHFFFAOYSA-N 1 0 343.405 1.353 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](C3CCCC3)CC2)n1 ZINC000326757335 444379000 /nfs/dbraw/zinc/37/90/00/444379000.db2.gz YLSAEHVIHDJQFA-UHFFFAOYSA-N 1 0 334.376 1.841 20 5 EDBDRO O=C1COc2cc([N+](=O)[O-])c(NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2N1 ZINC000327488238 444383010 /nfs/dbraw/zinc/38/30/10/444383010.db2.gz XMKJXONLQJBKMG-MNOVXSKESA-N 1 0 348.359 1.201 20 5 EDBDRO Cc1ccc(OC[C@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000578998564 321867035 /nfs/dbraw/zinc/86/70/35/321867035.db2.gz XOVYLTDIUCWOQD-OAHLLOKOSA-N 1 0 334.376 1.438 20 5 EDBDRO CC[C@@H](CO)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000298054901 444399811 /nfs/dbraw/zinc/39/98/11/444399811.db2.gz FRAKKNXYEIOGOP-NSHDSACASA-N 1 0 325.365 1.635 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c2ncccc12 ZINC000580633463 322076274 /nfs/dbraw/zinc/07/62/74/322076274.db2.gz LVECXSDPXDIJAD-MFKMUULPSA-N 1 0 348.384 1.125 20 5 EDBDRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000581662617 322205202 /nfs/dbraw/zinc/20/52/02/322205202.db2.gz PIWONLQIUXTURQ-WFASDCNBSA-N 1 0 332.404 1.996 20 5 EDBDRO C[C@@H]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@@H]1C[NH3+] ZINC000581879145 322227182 /nfs/dbraw/zinc/22/71/82/322227182.db2.gz PPIRUXVNAUOPHU-WOPDTQHZSA-N 1 0 349.387 1.811 20 5 EDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000332440901 444515250 /nfs/dbraw/zinc/51/52/50/444515250.db2.gz ITZUOLIJISCQOP-APPDUMDISA-N 1 0 346.387 1.966 20 5 EDBDRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000342209592 444566592 /nfs/dbraw/zinc/56/65/92/444566592.db2.gz SXEKQYHEEVFHPH-KGLIPLIRSA-N 1 0 344.371 1.288 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@H]2C[C@@H](OC)C[N@H+]2C)c1 ZINC000343880333 444642814 /nfs/dbraw/zinc/64/28/14/444642814.db2.gz QWHFXPUXXNVIBH-CHWSQXEVSA-N 1 0 337.376 1.537 20 5 EDBDRO COc1ccc(C[NH2+][C@@H](Cc2ccc(F)cc2)C(N)=O)cc1[N+](=O)[O-] ZINC000342425631 444686643 /nfs/dbraw/zinc/68/66/43/444686643.db2.gz VLLUIDWCTYCMIC-AWEZNQCLSA-N 1 0 347.346 1.929 20 5 EDBDRO C[C@@H]1[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343949847 444689539 /nfs/dbraw/zinc/68/95/39/444689539.db2.gz FERJZCFGNYGKIG-RISCZKNCSA-N 1 0 327.406 1.497 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3C[C@@H]4CC[C@@H](O)[C@@H]4C3)n2)cc1 ZINC000344031700 444739982 /nfs/dbraw/zinc/73/99/82/444739982.db2.gz CUANVGKVBXKIDT-IACUBPJLSA-N 1 0 330.344 1.848 20 5 EDBDRO O=C1[C@H]([N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000344048891 444750157 /nfs/dbraw/zinc/75/01/57/444750157.db2.gz ZGJDMUGAIOONMU-DANNLKNASA-N 1 0 331.372 1.403 20 5 EDBDRO CC(=O)NCC[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCSCC1 ZINC000338586629 444757944 /nfs/dbraw/zinc/75/79/44/444757944.db2.gz IGGXHEKNKBCKAM-UHFFFAOYSA-N 1 0 341.437 1.125 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@](F)(CO)C1 ZINC000338593373 444762159 /nfs/dbraw/zinc/76/21/59/444762159.db2.gz KWESXRQOUKAJHL-OAHLLOKOSA-N 1 0 325.340 1.638 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@](F)(CO)C2)c([N+](=O)[O-])c1 ZINC000338628176 444782021 /nfs/dbraw/zinc/78/20/21/444782021.db2.gz UJEFFZLOLAEDFD-HNNXBMFYSA-N 1 0 341.339 1.338 20 5 EDBDRO CNS(=O)(=O)c1ccc(N[C@H](C)CCCC[NH3+])c([N+](=O)[O-])c1 ZINC000336864097 444809394 /nfs/dbraw/zinc/80/93/94/444809394.db2.gz DKDVYGZZVZNBEQ-SNVBAGLBSA-N 1 0 330.410 1.432 20 5 EDBDRO COC(=O)c1cc(C)nc(NCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000341544160 444885435 /nfs/dbraw/zinc/88/54/35/444885435.db2.gz GWUGGECTDYIZGY-GFCCVEGCSA-N 1 0 336.392 2.371 20 5 EDBDRO Cc1cnn(CC2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)c1 ZINC000341612613 444920074 /nfs/dbraw/zinc/92/00/74/444920074.db2.gz JNAAEEMGVJESSX-UHFFFAOYSA-N 1 0 345.403 1.674 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000344435496 444968814 /nfs/dbraw/zinc/96/88/14/444968814.db2.gz WLYAMNRZXPCMOT-YPMHNXCESA-N 1 0 334.376 1.441 20 5 EDBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000339027885 444995471 /nfs/dbraw/zinc/99/54/71/444995471.db2.gz RNFBGHCARJGBPF-GFCCVEGCSA-N 1 0 349.391 1.304 20 5 EDBDRO CCc1ccc(C(=O)N(C)C[C@H]2C[C@H](OC)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC000344498684 445014442 /nfs/dbraw/zinc/01/44/42/445014442.db2.gz PILABRCUQNBDPO-CABCVRRESA-N 1 0 335.404 1.948 20 5 EDBDRO CCOC[C@H](O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000344555758 445056747 /nfs/dbraw/zinc/05/67/47/445056747.db2.gz RZSRGOFIQRUEJO-OAHLLOKOSA-N 1 0 334.376 1.482 20 5 EDBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000343149621 445098277 /nfs/dbraw/zinc/09/82/77/445098277.db2.gz HYTVQZVOUDJIFC-WCQYABFASA-N 1 0 329.360 1.883 20 5 EDBDRO C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccnn1C)c1ccccc1[N+](=O)[O-] ZINC000345327371 445181206 /nfs/dbraw/zinc/18/12/06/445181206.db2.gz UFCFDGZCVSKWJJ-PLQHRBFRSA-N 1 0 343.387 1.951 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000343227983 445150367 /nfs/dbraw/zinc/15/03/67/445150367.db2.gz UIYHCCQOXIUFDM-ZDUSSCGKSA-N 1 0 339.417 1.657 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[N@H+](C)C1CC1 ZINC000345772577 445199182 /nfs/dbraw/zinc/19/91/82/445199182.db2.gz HFVGFOQSAHXTKK-LBPRGKRZSA-N 1 0 338.412 1.038 20 5 EDBDRO C[N@H+](CCO)C1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347461153 445239023 /nfs/dbraw/zinc/23/90/23/445239023.db2.gz HUTOESRMVFLBBD-UHFFFAOYSA-N 1 0 331.376 1.431 20 5 EDBDRO C[NH+](C)CC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000354619351 445317534 /nfs/dbraw/zinc/31/75/34/445317534.db2.gz FWBOESYJOZDERI-UHFFFAOYSA-N 1 0 327.406 1.557 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000348216640 445319619 /nfs/dbraw/zinc/31/96/19/445319619.db2.gz PAQAGDLNSBAZEH-CQSZACIVSA-N 1 0 348.403 1.710 20 5 EDBDRO C[NH+](C)CCOC1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000354736216 445356947 /nfs/dbraw/zinc/35/69/47/445356947.db2.gz HBVLOORAHIXNHG-UHFFFAOYSA-N 1 0 336.392 1.360 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000357080537 445414092 /nfs/dbraw/zinc/41/40/92/445414092.db2.gz MJIWDKWXBOJFFP-IHRRRGAJSA-N 1 0 332.404 1.772 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000357080518 445414286 /nfs/dbraw/zinc/41/42/86/445414286.db2.gz MJIWDKWXBOJFFP-BFHYXJOUSA-N 1 0 332.404 1.772 20 5 EDBDRO C[NH+](C)Cc1cc(-c2noc(Cn3cnc([N+](=O)[O-])n3)n2)ccc1F ZINC000357022371 445380802 /nfs/dbraw/zinc/38/08/02/445380802.db2.gz CHDFHJDVHJBIOS-UHFFFAOYSA-N 1 0 347.310 1.485 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000362441840 445384260 /nfs/dbraw/zinc/38/42/60/445384260.db2.gz LEILIRNOJZMWAU-JKSUJKDBSA-N 1 0 349.387 1.031 20 5 EDBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2C1 ZINC000349031201 445481296 /nfs/dbraw/zinc/48/12/96/445481296.db2.gz UKVWWXCORFDGJH-CYBMUJFWSA-N 1 0 326.356 1.987 20 5 EDBDRO CC(C)(C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)n1cc([N+](=O)[O-])cn1 ZINC000349032570 445482213 /nfs/dbraw/zinc/48/22/13/445482213.db2.gz XMMPWPDKYRNUDJ-NSHDSACASA-N 1 0 344.375 1.376 20 5 EDBDRO C[C@H]1C[C@H]1CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000348919330 445440833 /nfs/dbraw/zinc/44/08/33/445440833.db2.gz GBBJCYWMHCPKQH-QWRGUYRKSA-N 1 0 327.406 1.419 20 5 EDBDRO CN(C)S(=O)(=O)c1ccc(NC[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000357153016 445457201 /nfs/dbraw/zinc/45/72/01/445457201.db2.gz UUZYAHRUCRYSMA-NSHDSACASA-N 1 0 342.421 1.209 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000359987391 445515732 /nfs/dbraw/zinc/51/57/32/445515732.db2.gz VMKBIKIGZBXEIO-GFCCVEGCSA-N 1 0 347.368 1.100 20 5 EDBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000362818854 445564576 /nfs/dbraw/zinc/56/45/76/445564576.db2.gz WNIBAQAVGOODDD-DYEKYZERSA-N 1 0 333.392 1.200 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362842944 445577224 /nfs/dbraw/zinc/57/72/24/445577224.db2.gz MZNUNASPPBITKU-UHFFFAOYSA-N 1 0 345.346 1.500 20 5 EDBDRO CCOCC[N@@H+]1CCN(Cc2c([N+](=O)[O-])ncn2C)C[C@H]1CC ZINC000355939998 445537722 /nfs/dbraw/zinc/53/77/22/445537722.db2.gz YMBMFDWKTNOMNS-CYBMUJFWSA-N 1 0 325.413 1.261 20 5 EDBDRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000358281976 445615491 /nfs/dbraw/zinc/61/54/91/445615491.db2.gz DQOJYGYWNVSZCA-VXGBXAGGSA-N 1 0 331.376 1.998 20 5 EDBDRO COc1c[nH+]ccc1N1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000360256804 445660708 /nfs/dbraw/zinc/66/07/08/445660708.db2.gz HVHPNKMBXCJVJX-UHFFFAOYSA-N 1 0 332.364 1.367 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000356195164 445670618 /nfs/dbraw/zinc/67/06/18/445670618.db2.gz SFOODJFNVZOTQM-NSHDSACASA-N 1 0 325.388 1.754 20 5 EDBDRO Cc1cc(NC[C@@H](CO)[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000360275753 445671248 /nfs/dbraw/zinc/67/12/48/445671248.db2.gz SOFJMYQPCPVKTA-STQMWFEESA-N 1 0 331.372 1.930 20 5 EDBDRO CCc1[nH]nc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1[N+](=O)[O-] ZINC000356444185 445793561 /nfs/dbraw/zinc/79/35/61/445793561.db2.gz GDMIUTSFRMTAGE-UHFFFAOYSA-N 1 0 327.304 1.713 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000356450435 445797037 /nfs/dbraw/zinc/79/70/37/445797037.db2.gz CCUOVOCBHUYUKO-UHFFFAOYSA-N 1 0 335.408 1.713 20 5 EDBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@@H](O)C[C@@H]3CO)o2)c([N+](=O)[O-])c1 ZINC000350257247 445802211 /nfs/dbraw/zinc/80/22/11/445802211.db2.gz AOAIDZKYXFJUMU-NEPJUHHUSA-N 1 0 348.355 1.791 20 5 EDBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@H+](Cc3cccnc3)C2)nc1 ZINC000363887235 445881797 /nfs/dbraw/zinc/88/17/97/445881797.db2.gz SYRZWKOAFWDOQB-CQSZACIVSA-N 1 0 328.376 2.104 20 5 EDBDRO O=C(NC1CC1)c1ccc(N2CCN3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000364882456 445965132 /nfs/dbraw/zinc/96/51/32/445965132.db2.gz MEEXCUQZRKQUPQ-AWEZNQCLSA-N 1 0 346.387 1.008 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@H](CO)C2)cc1 ZINC000582965083 325969874 /nfs/dbraw/zinc/96/98/74/325969874.db2.gz KJXZXYCQKNQXKR-QWHCGFSZSA-N 1 0 342.417 1.509 20 5 EDBDRO Cc1cc(Sc2nnnn2C[C@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000356782958 446014691 /nfs/dbraw/zinc/01/46/91/446014691.db2.gz SUJKEBZGHUJBHM-NSHDSACASA-N 1 0 334.405 1.993 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000583199224 326025192 /nfs/dbraw/zinc/02/51/92/326025192.db2.gz DHKVMVABLPGDOB-QLFBSQMISA-N 1 0 336.779 1.951 20 5 EDBDRO CC(C)C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000583495673 326083665 /nfs/dbraw/zinc/08/36/65/326083665.db2.gz PGIDRUCQOJYVEP-AEGPPILISA-N 1 0 326.397 1.336 20 5 EDBDRO CCc1ccc(S(=O)(=O)NCC[N@@H+](CC)C2CC2)cc1[N+](=O)[O-] ZINC000584229072 326223953 /nfs/dbraw/zinc/22/39/53/326223953.db2.gz FPMWLJZUJJQICL-UHFFFAOYSA-N 1 0 341.433 1.920 20 5 EDBDRO COc1ccc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000366196117 446077752 /nfs/dbraw/zinc/07/77/52/446077752.db2.gz PMPSUBOMYJLACW-AWEZNQCLSA-N 1 0 349.387 1.587 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000365405743 446192379 /nfs/dbraw/zinc/19/23/79/446192379.db2.gz OVRLJPVMVAIZCE-GFCCVEGCSA-N 1 0 327.406 1.700 20 5 EDBDRO CCOc1cc(C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000366315110 446144519 /nfs/dbraw/zinc/14/45/19/446144519.db2.gz RRULDUIWUPUGPT-VXGBXAGGSA-N 1 0 333.344 1.088 20 5 EDBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000365326760 446149949 /nfs/dbraw/zinc/14/99/49/446149949.db2.gz LHBQKNKRWMAODG-AWEZNQCLSA-N 1 0 332.404 1.447 20 5 EDBDRO O=C(CCN1CC[NH+]([C@H]2CCOC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000366515729 446244976 /nfs/dbraw/zinc/24/49/76/446244976.db2.gz PQFGTCTYPJQXIW-AWEZNQCLSA-N 1 0 348.403 1.330 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365548464 446250260 /nfs/dbraw/zinc/25/02/60/446250260.db2.gz FNDHASDLKZPROO-RRFJBIMHSA-N 1 0 347.419 1.433 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000366590221 446271134 /nfs/dbraw/zinc/27/11/34/446271134.db2.gz GUOYSIUREYKXNP-WCQYABFASA-N 1 0 335.360 1.193 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@]12CCN(S(=O)(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000376130031 446346888 /nfs/dbraw/zinc/34/68/88/446346888.db2.gz MFJVOIILBVSEGA-KGLIPLIRSA-N 1 0 325.390 1.487 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000365710692 446310295 /nfs/dbraw/zinc/31/02/95/446310295.db2.gz JBNZNGDDHJUSFF-ZSBIGDGJSA-N 1 0 325.390 1.546 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@H]1Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000420246046 446429589 /nfs/dbraw/zinc/42/95/89/446429589.db2.gz MQMXDACBKYUVOJ-DZGCQCFKSA-N 1 0 334.420 1.979 20 5 EDBDRO CCc1cc(NC[C@@H]2C[NH2+]C[C@@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420259124 446435968 /nfs/dbraw/zinc/43/59/68/446435968.db2.gz YKKCJOZMKXIBOV-WFASDCNBSA-N 1 0 343.387 1.028 20 5 EDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000418083974 446436140 /nfs/dbraw/zinc/43/61/40/446436140.db2.gz OEUZNCWOTMXHBS-UWVGGRQHSA-N 1 0 332.364 1.398 20 5 EDBDRO CN1CC[NH2+]C[C@H]1CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420276016 446444399 /nfs/dbraw/zinc/44/43/99/446444399.db2.gz ONRXYNMVJMJHNI-ZDUSSCGKSA-N 1 0 333.417 2.034 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000374831167 446410829 /nfs/dbraw/zinc/41/08/29/446410829.db2.gz WXTOVCFWYLSIED-TZMCWYRMSA-N 1 0 349.387 1.587 20 5 EDBDRO O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000370762260 446422023 /nfs/dbraw/zinc/42/20/23/446422023.db2.gz ZWLXKTXCLJCTTA-ZFWWWQNUSA-N 1 0 333.388 1.826 20 5 EDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1(C(N)=O)CCCC1 ZINC000411406531 446523794 /nfs/dbraw/zinc/52/37/94/446523794.db2.gz JHNOKAYGSSSSNW-UHFFFAOYSA-N 1 0 334.376 1.653 20 5 EDBDRO CCCC[C@@H](C[NH3+])NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418454205 446549219 /nfs/dbraw/zinc/54/92/19/446549219.db2.gz AUWPJKRWJJKFEB-AWEZNQCLSA-N 1 0 349.435 1.944 20 5 EDBDRO CN1Cc2ccccc2[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000371084294 446617747 /nfs/dbraw/zinc/61/77/47/446617747.db2.gz CQEIMUOXNYWZJW-OAHLLOKOSA-N 1 0 344.375 1.277 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000433774667 446598634 /nfs/dbraw/zinc/59/86/34/446598634.db2.gz PIHDTIFKEZDWTR-LLVKDONJSA-N 1 0 339.396 1.282 20 5 EDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000418590808 446604747 /nfs/dbraw/zinc/60/47/47/446604747.db2.gz UCUAJWUTGCHZNT-UONOGXRCSA-N 1 0 347.419 1.696 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423703019 446648744 /nfs/dbraw/zinc/64/87/44/446648744.db2.gz BDTJWQPDWUCIOM-NSHDSACASA-N 1 0 338.412 1.038 20 5 EDBDRO COC(=O)CC[C@@H]([NH3+])C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423718093 446658130 /nfs/dbraw/zinc/65/81/30/446658130.db2.gz BUDOFKMDNHFNDI-CYBMUJFWSA-N 1 0 335.360 1.366 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000423637374 446620802 /nfs/dbraw/zinc/62/08/02/446620802.db2.gz RIRUPKDTFASQGW-KANYHAFZSA-N 1 0 348.403 1.136 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000420446323 446622633 /nfs/dbraw/zinc/62/26/33/446622633.db2.gz BCVRIQUDZSJTBE-RYUDHWBXSA-N 1 0 327.406 1.617 20 5 EDBDRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000371092493 446622806 /nfs/dbraw/zinc/62/28/06/446622806.db2.gz FQEGXVINNHRYGA-WBMJQRKESA-N 1 0 332.360 1.405 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000420451983 446626605 /nfs/dbraw/zinc/62/66/05/446626605.db2.gz RVJQNTVUCMYWTJ-NSHDSACASA-N 1 0 349.384 1.394 20 5 EDBDRO O=C(NC[C@@H]1C[NH2+]CCO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418774278 446692334 /nfs/dbraw/zinc/69/23/34/446692334.db2.gz UZKXTPPOVXAQPC-HNNXBMFYSA-N 1 0 334.376 1.257 20 5 EDBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@@H+]2CCc2ccccc2)nc1 ZINC000368187269 446694174 /nfs/dbraw/zinc/69/41/74/446694174.db2.gz DYMONINJQVUNQN-HNNXBMFYSA-N 1 0 327.388 2.504 20 5 EDBDRO C[C@@H](NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000418778937 446696728 /nfs/dbraw/zinc/69/67/28/446696728.db2.gz JIDBVDPRBUTXRR-CHWSQXEVSA-N 1 0 348.403 1.359 20 5 EDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000418796830 446707838 /nfs/dbraw/zinc/70/78/38/446707838.db2.gz ULXFIAFBYCDNSH-UONOGXRCSA-N 1 0 347.419 1.554 20 5 EDBDRO COC(=O)[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC)CC[N@H+](C)C1 ZINC000411909614 446719378 /nfs/dbraw/zinc/71/93/78/446719378.db2.gz RJSRWEZJBBPUJI-CYBMUJFWSA-N 1 0 337.376 1.140 20 5 EDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411940861 446751397 /nfs/dbraw/zinc/75/13/97/446751397.db2.gz KVDCONYBYQDQES-NEPJUHHUSA-N 1 0 334.376 1.332 20 5 EDBDRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000368318750 446783203 /nfs/dbraw/zinc/78/32/03/446783203.db2.gz UDLPHULABJHCAK-HNNXBMFYSA-N 1 0 339.417 1.452 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CC(Cc3ccccc3F)C2)c1 ZINC000371343159 446792013 /nfs/dbraw/zinc/79/20/13/446792013.db2.gz FJGXBHKXUXMVLF-HNNXBMFYSA-N 1 0 334.351 1.466 20 5 EDBDRO O=C(NC[C@H]1C[NH2+]CCO1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000423990408 446812261 /nfs/dbraw/zinc/81/22/61/446812261.db2.gz JYJBSUAIYNZIMF-GFCCVEGCSA-N 1 0 348.384 1.437 20 5 EDBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1ccc([N+](=O)[O-])cc1F ZINC000454283293 446832974 /nfs/dbraw/zinc/83/29/74/446832974.db2.gz WSKCAQZJNSEBIG-GFCCVEGCSA-N 1 0 340.355 1.702 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424221041 446864134 /nfs/dbraw/zinc/86/41/34/446864134.db2.gz FYLXCJGUGYSPTR-UHFFFAOYSA-N 1 0 341.371 1.872 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1F ZINC000412142559 446877931 /nfs/dbraw/zinc/87/79/31/446877931.db2.gz YBQLGVJEDIJWJK-WDEREUQCSA-N 1 0 339.367 1.884 20 5 EDBDRO Cc1nc(CN(C)[C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000368670262 447020263 /nfs/dbraw/zinc/02/02/63/447020263.db2.gz DFMVNXNZMXXMBD-OAHLLOKOSA-N 1 0 331.376 1.993 20 5 EDBDRO CC[C@@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000419154882 446972859 /nfs/dbraw/zinc/97/28/59/446972859.db2.gz AKMDEICEFGEREU-SWLSCSKDSA-N 1 0 348.403 1.278 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000419176362 446992666 /nfs/dbraw/zinc/99/26/66/446992666.db2.gz YYECRXVWKTZAHZ-XUJVJEKNSA-N 1 0 348.403 1.371 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000419273412 447047155 /nfs/dbraw/zinc/04/71/55/447047155.db2.gz QOQGNZSVGXKNIN-YPMHNXCESA-N 1 0 334.376 1.030 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CCN1C1CC[NH+](C)CC1 ZINC000375797555 447058262 /nfs/dbraw/zinc/05/82/62/447058262.db2.gz VSTJWCWUKUWLGM-ZDUSSCGKSA-N 1 0 347.419 1.230 20 5 EDBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000443310166 447030982 /nfs/dbraw/zinc/03/09/82/447030982.db2.gz ODXKHTHSBDIFEG-NYTXWWLZSA-N 1 0 338.404 1.816 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000375831074 447087559 /nfs/dbraw/zinc/08/75/59/447087559.db2.gz MIDAXZPHKRTLJH-HOCLYGCPSA-N 1 0 332.404 1.873 20 5 EDBDRO CCOc1cc(CN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000419325739 447092098 /nfs/dbraw/zinc/09/20/98/447092098.db2.gz BGYVRYZHPUJHMQ-KBPBESRZSA-N 1 0 337.420 1.880 20 5 EDBDRO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C[N@@H+]1CCO ZINC000419328002 447095624 /nfs/dbraw/zinc/09/56/24/447095624.db2.gz DHFOXXBGPRMGFO-NEPJUHHUSA-N 1 0 333.392 1.358 20 5 EDBDRO CC(C)(O)C[N@@H+]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372556968 447137624 /nfs/dbraw/zinc/13/76/24/447137624.db2.gz YPBLNGOKAQQQFP-UHFFFAOYSA-N 1 0 337.420 1.752 20 5 EDBDRO COCCCC[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000419383898 447142205 /nfs/dbraw/zinc/14/22/05/447142205.db2.gz LOFGDDJQBFIAFN-UHFFFAOYSA-N 1 0 325.365 1.900 20 5 EDBDRO C[NH+]1CCN(C[C@@H]2CN(c3cccc(F)c3[N+](=O)[O-])CCO2)CC1 ZINC000375986596 447194241 /nfs/dbraw/zinc/19/42/41/447194241.db2.gz QTHNFLUAYZWKJK-CYBMUJFWSA-N 1 0 338.383 1.187 20 5 EDBDRO O=[N+]([O-])c1ccn(CCN2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)n1 ZINC000425500818 447195278 /nfs/dbraw/zinc/19/52/78/447195278.db2.gz MSVWCEUJBWBGOS-DLBZAZTESA-N 1 0 341.415 1.998 20 5 EDBDRO COc1cc(OCC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000377583802 447222534 /nfs/dbraw/zinc/22/25/34/447222534.db2.gz HWRMKZCKSNIHMR-QGZVFWFLSA-N 1 0 349.387 1.584 20 5 EDBDRO COc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc([N+](=O)[O-])c1OC ZINC000421703104 447224442 /nfs/dbraw/zinc/22/44/42/447224442.db2.gz LNEYAMSXIJHLPI-GFCCVEGCSA-N 1 0 337.376 1.778 20 5 EDBDRO COC(=O)c1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc(C)c1[N+](=O)[O-] ZINC000450797784 447580898 /nfs/dbraw/zinc/58/08/98/447580898.db2.gz XLMSTJWMXWTIFT-OKILXGFUSA-N 1 0 349.387 1.965 20 5 EDBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000416292123 447557499 /nfs/dbraw/zinc/55/74/99/447557499.db2.gz IJEBDINOYRSROX-RYUDHWBXSA-N 1 0 346.387 1.603 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC1([NH+](C)C)CC1 ZINC000416300149 447561071 /nfs/dbraw/zinc/56/10/71/447561071.db2.gz HXRVTCPGRSWKOG-NSHDSACASA-N 1 0 338.412 1.038 20 5 EDBDRO O=[N+]([O-])c1ccc(NCCCN2CC[NH2+]CC2)cc1OC(F)F ZINC000420110802 447607875 /nfs/dbraw/zinc/60/78/75/447607875.db2.gz FUKUNHHVJSQTQJ-UHFFFAOYSA-N 1 0 330.335 1.903 20 5 EDBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000420168889 447651086 /nfs/dbraw/zinc/65/10/86/447651086.db2.gz KQWRXPYWMQUDPK-GFCCVEGCSA-N 1 0 334.376 1.089 20 5 EDBDRO COc1cccc(NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1[N+](=O)[O-] ZINC000420232721 447680413 /nfs/dbraw/zinc/68/04/13/447680413.db2.gz AOYBKADPQVTBBE-GFCCVEGCSA-N 1 0 348.325 1.851 20 5 EDBDRO CC1(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC[NH2+]CC1 ZINC000420231368 447680876 /nfs/dbraw/zinc/68/08/76/447680876.db2.gz RRPSFJLWFNWBED-UHFFFAOYSA-N 1 0 327.406 1.800 20 5 EDBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420235823 447682057 /nfs/dbraw/zinc/68/20/57/447682057.db2.gz JJADEAIEWZKNJN-IYBDPMFKSA-N 1 0 346.431 1.758 20 5 EDBDRO COC(=O)c1cc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000458188178 447740200 /nfs/dbraw/zinc/74/02/00/447740200.db2.gz LZDOAQGBSPKSMF-GFCCVEGCSA-N 1 0 349.387 1.843 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC([NH2+]C)CC1 ZINC000429405938 447746746 /nfs/dbraw/zinc/74/67/46/447746746.db2.gz OEEOBGIEUDXNIM-LBPRGKRZSA-N 1 0 338.412 1.038 20 5 EDBDRO CCOc1ccc(NC(=O)CN[C@@](C)(C[NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430560695 447779600 /nfs/dbraw/zinc/77/96/00/447779600.db2.gz XIRAIDHZASZWGW-INIZCTEOSA-N 1 0 338.408 1.895 20 5 EDBDRO CC[NH+]1CCC(CCNC(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000553476310 447994220 /nfs/dbraw/zinc/99/42/20/447994220.db2.gz OTXIBLJBRNBJJR-UHFFFAOYSA-N 1 0 335.408 1.883 20 5 EDBDRO CO[C@](C)(C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000576512304 448070705 /nfs/dbraw/zinc/07/07/05/448070705.db2.gz WVUMNPSIWBUDBV-OAHLLOKOSA-N 1 0 342.417 1.773 20 5 EDBDRO C[C@@H]1[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000576728631 448127900 /nfs/dbraw/zinc/12/79/00/448127900.db2.gz PVWAPLWPVLRKSY-BXUZGUMPSA-N 1 0 329.360 1.711 20 5 EDBDRO CNc1nccc(C(=O)NCc2ccccc2C[NH+](C)C)c1[N+](=O)[O-] ZINC000557541671 448186734 /nfs/dbraw/zinc/18/67/34/448186734.db2.gz WPHIWHVVJCDXPF-UHFFFAOYSA-N 1 0 343.387 2.023 20 5 EDBDRO COc1cc(S(=O)(=O)NCC[N@@H+]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000532347959 448242122 /nfs/dbraw/zinc/24/21/22/448242122.db2.gz VGQSICQMOURPQL-LLVKDONJSA-N 1 0 343.405 1.224 20 5 EDBDRO COC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000591067842 448250691 /nfs/dbraw/zinc/25/06/91/448250691.db2.gz WALNIMJTWNBBFI-DLBZAZTESA-N 1 0 347.415 1.925 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)c(C)cc1[N+](=O)[O-] ZINC000572016826 448264535 /nfs/dbraw/zinc/26/45/35/448264535.db2.gz MQUQYCYBBNMTLR-CYBMUJFWSA-N 1 0 329.422 1.863 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591304998 448316193 /nfs/dbraw/zinc/31/61/93/448316193.db2.gz RPTIEIZMPXMKOQ-SMDDNHRTSA-N 1 0 332.360 1.052 20 5 EDBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000532671767 448293830 /nfs/dbraw/zinc/29/38/30/448293830.db2.gz NRQHNCJESDDWRU-UHFFFAOYSA-N 1 0 338.412 1.307 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000591445924 448365294 /nfs/dbraw/zinc/36/52/94/448365294.db2.gz CMKKAZXYGPPZMM-HIFRSBDPSA-N 1 0 337.424 1.842 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000591445926 448366116 /nfs/dbraw/zinc/36/61/16/448366116.db2.gz CMKKAZXYGPPZMM-ZFWWWQNUSA-N 1 0 337.424 1.842 20 5 EDBDRO O=C(CN1CC[C@@H]2CC[NH2+][C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000591448670 448367243 /nfs/dbraw/zinc/36/72/43/448367243.db2.gz MVKXRZBBPKICCZ-GXFFZTMASA-N 1 0 338.795 1.871 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1[N+](=O)[O-] ZINC000515623091 448337113 /nfs/dbraw/zinc/33/71/13/448337113.db2.gz WMYPDRFYTALDSH-NEPJUHHUSA-N 1 0 325.390 1.194 20 5 EDBDRO CC(C)(C)c1ccncc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000583019558 448403650 /nfs/dbraw/zinc/40/36/50/448403650.db2.gz CRUHGLQXAZZJLH-CQSZACIVSA-N 1 0 333.392 1.635 20 5 EDBDRO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1=O ZINC000577741611 448375125 /nfs/dbraw/zinc/37/51/25/448375125.db2.gz RXBDEJFFOFQYOP-TYNCELHUSA-N 1 0 346.387 1.522 20 5 EDBDRO COc1ccc(OCCN2CCC[C@]23CCNC3=O)c([N+](=O)[O-])c1 ZINC000583092138 448422764 /nfs/dbraw/zinc/42/27/64/448422764.db2.gz GUUMWERXQHCLJR-MRXNPFEDSA-N 1 0 335.360 1.337 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000591763547 448484941 /nfs/dbraw/zinc/48/49/41/448484941.db2.gz BSHWMBFQSBDWRZ-CVEARBPZSA-N 1 0 349.431 1.941 20 5 EDBDRO C[C@H](Cc1cnn(C)c1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591769940 448487327 /nfs/dbraw/zinc/48/73/27/448487327.db2.gz YCNRTBZIZWLARF-DOMZBBRYSA-N 1 0 334.376 1.289 20 5 EDBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cc[nH]c(=O)c1 ZINC000591768666 448487536 /nfs/dbraw/zinc/48/75/36/448487536.db2.gz RIJJMOWRRPEJIK-RISCZKNCSA-N 1 0 333.344 1.786 20 5 EDBDRO CC(C)(C)C[C@H](O)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000578237333 448494992 /nfs/dbraw/zinc/49/49/92/448494992.db2.gz IWDWSMXCKIVHMS-QWHCGFSZSA-N 1 0 326.393 1.721 20 5 EDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000517244593 448561941 /nfs/dbraw/zinc/56/19/41/448561941.db2.gz IBLTXUCMCQDNQO-ZDUSSCGKSA-N 1 0 327.356 1.557 20 5 EDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000591982998 448610134 /nfs/dbraw/zinc/61/01/34/448610134.db2.gz SQXBLWSHIHHPJR-GFCCVEGCSA-N 1 0 343.387 1.699 20 5 EDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnc(NC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000573385256 448614206 /nfs/dbraw/zinc/61/42/06/448614206.db2.gz SQGYLKADNIRZGS-WCQYABFASA-N 1 0 335.408 1.834 20 5 EDBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000573474032 448637959 /nfs/dbraw/zinc/63/79/59/448637959.db2.gz DIGHQFRHVMAONR-CYBMUJFWSA-N 1 0 349.387 1.461 20 5 EDBDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCc3c1cccc3[N+](=O)[O-])CC2 ZINC000518215743 448657157 /nfs/dbraw/zinc/65/71/57/448657157.db2.gz ZRJOGHIKHWMECI-SMDDNHRTSA-N 1 0 343.387 1.925 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H](O)C2CCCCC2)c1 ZINC000518534353 448689971 /nfs/dbraw/zinc/68/99/71/448689971.db2.gz FSJPYHLUOMPEEA-WBVHZDCISA-N 1 0 338.404 1.865 20 5 EDBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000592246951 448761427 /nfs/dbraw/zinc/76/14/27/448761427.db2.gz MZABNXLSIZFKFE-TZMCWYRMSA-N 1 0 341.371 1.605 20 5 EDBDRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000592180753 448725227 /nfs/dbraw/zinc/72/52/27/448725227.db2.gz VUUHKLBUPXVRCV-CQSZACIVSA-N 1 0 338.751 1.422 20 5 EDBDRO Cc1c(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cccc1[N+](=O)[O-] ZINC000592213629 448751421 /nfs/dbraw/zinc/75/14/21/448751421.db2.gz ZRBGTNPQQHXVJE-GFCCVEGCSA-N 1 0 349.391 1.487 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000574168386 448808483 /nfs/dbraw/zinc/80/84/83/448808483.db2.gz KEJIWTCLUCSFOC-CYBMUJFWSA-N 1 0 348.403 1.751 20 5 EDBDRO CN(CCC[NH3+])S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000592373003 448809984 /nfs/dbraw/zinc/80/99/84/448809984.db2.gz MXQZNPRMQQRWLY-UHFFFAOYSA-N 1 0 341.311 1.583 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000592381261 448813338 /nfs/dbraw/zinc/81/33/38/448813338.db2.gz CZOHOPCQUGZHKK-OLZOCXBDSA-N 1 0 339.417 1.584 20 5 EDBDRO CCCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CC[N@H+](C)C1 ZINC000592300644 448779915 /nfs/dbraw/zinc/77/99/15/448779915.db2.gz UTCUXIJDBPVXCU-ZDUSSCGKSA-N 1 0 348.403 1.784 20 5 EDBDRO CC[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592331680 448794173 /nfs/dbraw/zinc/79/41/73/448794173.db2.gz MZMWZEKMEPKQHU-YPMHNXCESA-N 1 0 344.375 1.375 20 5 EDBDRO CC[C@H]1CN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC[C@@H]1[NH3+] ZINC000592331067 448794266 /nfs/dbraw/zinc/79/42/66/448794266.db2.gz HYHRCSAUYMGOCB-JSGCOSHPSA-N 1 0 348.403 1.219 20 5 EDBDRO CCOc1cc(C(=O)N[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000592330438 448794801 /nfs/dbraw/zinc/79/48/01/448794801.db2.gz OABYYGHXIGHFNB-LLVKDONJSA-N 1 0 337.376 1.874 20 5 EDBDRO CC[C@@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[C@H]1[NH3+] ZINC000592332854 448795296 /nfs/dbraw/zinc/79/52/96/448795296.db2.gz PLYKUIRBPFSASU-CHWSQXEVSA-N 1 0 343.387 1.980 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000592342261 448799132 /nfs/dbraw/zinc/79/91/32/448799132.db2.gz UIVDNYVKLAMVBK-ZDUSSCGKSA-N 1 0 349.387 1.188 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000592342959 448799559 /nfs/dbraw/zinc/79/95/59/448799559.db2.gz PBWLYPKQCCPLOO-OAHLLOKOSA-N 1 0 335.408 1.336 20 5 EDBDRO CN(CCN1CC[NH2+]CC1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000592468485 448850834 /nfs/dbraw/zinc/85/08/34/448850834.db2.gz KIJVLEGTJVEIDV-UHFFFAOYSA-N 1 0 349.435 1.151 20 5 EDBDRO CC(C)OC(=O)C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000592480676 448854202 /nfs/dbraw/zinc/85/42/02/448854202.db2.gz CYPIBMBXLRXWHX-ZIAGYGMSSA-N 1 0 349.387 1.846 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000592486886 448858136 /nfs/dbraw/zinc/85/81/36/448858136.db2.gz OBRXJPIXXUCWDL-QWRGUYRKSA-N 1 0 340.355 1.174 20 5 EDBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000592553606 448896281 /nfs/dbraw/zinc/89/62/81/448896281.db2.gz QKGNBFTYSSZJFJ-LBPRGKRZSA-N 1 0 347.327 1.318 20 5 EDBDRO CN1CC[NH+](CCC(C)(C)NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000547785137 448927877 /nfs/dbraw/zinc/92/78/77/448927877.db2.gz LQYSOEIGSRDYLY-UHFFFAOYSA-N 1 0 335.408 1.136 20 5 EDBDRO O=C(N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000574985983 449005741 /nfs/dbraw/zinc/00/57/41/449005741.db2.gz NLRPLODJPUBZDY-CXAGYDPISA-N 1 0 345.403 1.028 20 5 EDBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000522000344 449039240 /nfs/dbraw/zinc/03/92/40/449039240.db2.gz PAWXEHVUWUFKOF-NVXWUHKLSA-N 1 0 347.415 1.882 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597859613 449126572 /nfs/dbraw/zinc/12/65/72/449126572.db2.gz WGMZUDKKPMBVOJ-NSHDSACASA-N 1 0 335.360 1.926 20 5 EDBDRO C[N@H+](CCNC(=O)c1ccnc(N)c1[N+](=O)[O-])Cc1ccccc1 ZINC000548714188 449087032 /nfs/dbraw/zinc/08/70/32/449087032.db2.gz LQAOOKXHSJHDNX-UHFFFAOYSA-N 1 0 329.360 1.434 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000590047137 449100453 /nfs/dbraw/zinc/10/04/53/449100453.db2.gz UHDYXPKDQMTQCS-JQWIXIFHSA-N 1 0 341.314 1.972 20 5 EDBDRO C[C@H]1CC[C@@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[NH2+]1 ZINC000599920278 449109471 /nfs/dbraw/zinc/10/94/71/449109471.db2.gz ZYKXNBJNLGSPHX-VHSXEESVSA-N 1 0 332.364 1.411 20 5 EDBDRO [NH3+]C1(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCOCC1 ZINC000599930831 449113200 /nfs/dbraw/zinc/11/32/00/449113200.db2.gz PMJFYYYEPTWZPR-UHFFFAOYSA-N 1 0 348.403 1.777 20 5 EDBDRO [NH3+]CCCOCCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599935233 449115148 /nfs/dbraw/zinc/11/51/48/449115148.db2.gz SJALCBAILYVTQF-UHFFFAOYSA-N 1 0 336.392 1.634 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595760946 449152838 /nfs/dbraw/zinc/15/28/38/449152838.db2.gz VPOVBEFUKCZSSG-YVEFUNNKSA-N 1 0 349.387 1.900 20 5 EDBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000597943314 449153634 /nfs/dbraw/zinc/15/36/34/449153634.db2.gz XQHHQYVYKHQRCI-LBPRGKRZSA-N 1 0 340.399 1.736 20 5 EDBDRO CCN(C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000597944977 449154569 /nfs/dbraw/zinc/15/45/69/449154569.db2.gz FRIWYDODASOIEB-IUODEOHRSA-N 1 0 348.403 1.266 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000595779398 449160313 /nfs/dbraw/zinc/16/03/13/449160313.db2.gz DRHRQUIRBXFAIP-LKTVYLICSA-N 1 0 349.387 1.824 20 5 EDBDRO C[NH+]1CCN(c2ccnc(NC(=O)c3ccccc3[N+](=O)[O-])c2)CC1 ZINC000601804797 449162545 /nfs/dbraw/zinc/16/25/45/449162545.db2.gz LTQHKNQKADODOQ-UHFFFAOYSA-N 1 0 341.371 1.994 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000590442335 449163262 /nfs/dbraw/zinc/16/32/62/449163262.db2.gz FMOSZNOYPALVDQ-BBRMVZONSA-N 1 0 341.371 1.557 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+][C@H]2C[C@@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000595784341 449163716 /nfs/dbraw/zinc/16/37/16/449163716.db2.gz UZUDQIWJJPCKLN-UONOGXRCSA-N 1 0 335.360 1.435 20 5 EDBDRO CC[N@@H+]1CCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611087832 449164181 /nfs/dbraw/zinc/16/41/81/449164181.db2.gz MYGKPLMKPGXQEX-QWHCGFSZSA-N 1 0 348.403 1.266 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000597925457 449145007 /nfs/dbraw/zinc/14/50/07/449145007.db2.gz VNHXSADNDFYBBF-NSHDSACASA-N 1 0 335.360 1.926 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000590401462 449148555 /nfs/dbraw/zinc/14/85/55/449148555.db2.gz KQSULCAKHOECBP-MNOVXSKESA-N 1 0 325.390 1.592 20 5 EDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590402603 449149921 /nfs/dbraw/zinc/14/99/21/449149921.db2.gz BAKKMSLOVKABRJ-JQWIXIFHSA-N 1 0 335.360 1.531 20 5 EDBDRO C[C@H](CCNC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000597991318 449175433 /nfs/dbraw/zinc/17/54/33/449175433.db2.gz DHLVUEWRBDOIBA-SNVBAGLBSA-N 1 0 343.405 1.068 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000590588780 449204311 /nfs/dbraw/zinc/20/43/11/449204311.db2.gz JYPYHZXFUNKZAR-RISCZKNCSA-N 1 0 327.406 1.616 20 5 EDBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000590539234 449182071 /nfs/dbraw/zinc/18/20/71/449182071.db2.gz XHGPUSJLMUCZBA-CQSZACIVSA-N 1 0 334.420 1.974 20 5 EDBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000590555676 449189126 /nfs/dbraw/zinc/18/91/26/449189126.db2.gz UACLIZVSCLSYST-GFCCVEGCSA-N 1 0 348.403 1.502 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCOCC2)CC1 ZINC000600105258 449191745 /nfs/dbraw/zinc/19/17/45/449191745.db2.gz ITPUJLGBKKRFDH-UHFFFAOYSA-N 1 0 348.403 1.330 20 5 EDBDRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000604227424 449195299 /nfs/dbraw/zinc/19/52/99/449195299.db2.gz ABAKIFANDYXKFE-VIFPVBQESA-N 1 0 340.767 1.397 20 5 EDBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000600228975 449254709 /nfs/dbraw/zinc/25/47/09/449254709.db2.gz IRZAELYCGZAETC-ZDUSSCGKSA-N 1 0 334.376 1.832 20 5 EDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000595923066 449255391 /nfs/dbraw/zinc/25/53/91/449255391.db2.gz PGVNNCDHXRRNRE-CYBMUJFWSA-N 1 0 346.309 1.665 20 5 EDBDRO Cc1cc(N2CC[N@@H+](C)C[C@H]2CO)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601979689 449260333 /nfs/dbraw/zinc/26/03/33/449260333.db2.gz LAHVVZFXKNFRQT-HNNXBMFYSA-N 1 0 343.387 1.473 20 5 EDBDRO Cn1nnnc1CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000611327917 449263635 /nfs/dbraw/zinc/26/36/35/449263635.db2.gz ZUEPXQDJFWVNGM-TZMCWYRMSA-N 1 0 330.392 1.662 20 5 EDBDRO Cn1nnnc1CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000611327911 449263769 /nfs/dbraw/zinc/26/37/69/449263769.db2.gz ZUEPXQDJFWVNGM-GXTWGEPZSA-N 1 0 330.392 1.662 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N(C)CC(C)(C)[NH3+])c1 ZINC000595936223 449265169 /nfs/dbraw/zinc/26/51/69/449265169.db2.gz YIEUOJYJJIZSEM-UHFFFAOYSA-N 1 0 345.403 1.957 20 5 EDBDRO Cc1nn(C)c(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)c1[N+](=O)[O-] ZINC000595944172 449270664 /nfs/dbraw/zinc/27/06/64/449270664.db2.gz VWAHDRQHTGNTPE-ZDUSSCGKSA-N 1 0 345.359 1.550 20 5 EDBDRO Cc1nn(C)c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595966729 449287991 /nfs/dbraw/zinc/28/79/91/449287991.db2.gz NJIGDPJJRRSYFB-ZIAGYGMSSA-N 1 0 343.387 1.512 20 5 EDBDRO Nc1nccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598217717 449296383 /nfs/dbraw/zinc/29/63/83/449296383.db2.gz AFMQFXQBLUNJPV-LLVKDONJSA-N 1 0 333.392 1.709 20 5 EDBDRO C[NH+](C)CCN1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1=O ZINC000593486485 449305800 /nfs/dbraw/zinc/30/58/00/449305800.db2.gz ZFVGSNNQMUCNEJ-UHFFFAOYSA-N 1 0 347.419 1.079 20 5 EDBDRO C[NH+](C)CCN1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1=O ZINC000593486362 449306708 /nfs/dbraw/zinc/30/67/08/449306708.db2.gz UIFUCIDSDZDOHE-UHFFFAOYSA-N 1 0 343.387 1.353 20 5 EDBDRO C[C@H](CCCCO)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000611519047 449318430 /nfs/dbraw/zinc/31/84/30/449318430.db2.gz UIIIGYQJTRHMEU-GFCCVEGCSA-N 1 0 345.421 1.014 20 5 EDBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000595950727 449277169 /nfs/dbraw/zinc/27/71/69/449277169.db2.gz KYUFYOGASINXQR-CYBMUJFWSA-N 1 0 332.364 1.279 20 5 EDBDRO O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000593907514 449277453 /nfs/dbraw/zinc/27/74/53/449277453.db2.gz REEPTKJZLUKMQN-KGLIPLIRSA-N 1 0 333.392 1.485 20 5 EDBDRO CC[NH+](CC)C[C@H](C)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596090840 449358279 /nfs/dbraw/zinc/35/82/79/449358279.db2.gz XFHPYLWOXKSRTL-JTQLQIEISA-N 1 0 330.410 1.384 20 5 EDBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCOC2(C[NH2+]C2)C1 ZINC000596099363 449360375 /nfs/dbraw/zinc/36/03/75/449360375.db2.gz SAORWGLSHCLWJA-UHFFFAOYSA-N 1 0 345.277 1.428 20 5 EDBDRO O=C(CN1CCC[C@@H]2COC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000590972399 449364877 /nfs/dbraw/zinc/36/48/77/449364877.db2.gz QAKYTSYEODEQTK-CJNGLKHVSA-N 1 0 331.372 1.595 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000611751757 449407247 /nfs/dbraw/zinc/40/72/47/449407247.db2.gz VGUUVWBCOAOPNS-HOCLYGCPSA-N 1 0 349.387 1.417 20 5 EDBDRO C[C@@H]1C[N@H+](CCCNc2c(Cl)cncc2[N+](=O)[O-])CCCO1 ZINC000596207351 449413812 /nfs/dbraw/zinc/41/38/12/449413812.db2.gz DHEQMRIALHFLPY-LLVKDONJSA-N 1 0 328.800 1.978 20 5 EDBDRO CC(C)(C)c1ccc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000600535157 449428843 /nfs/dbraw/zinc/42/88/43/449428843.db2.gz WQFNAIBSBIALDH-CYBMUJFWSA-N 1 0 335.404 1.689 20 5 EDBDRO COC(=O)[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000600536945 449430306 /nfs/dbraw/zinc/43/03/06/449430306.db2.gz LYYNVZUHVDVVIX-ZBEGNZNMSA-N 1 0 335.360 1.051 20 5 EDBDRO O=c1[nH]ccc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000596166092 449392614 /nfs/dbraw/zinc/39/26/14/449392614.db2.gz PLHLNOGZZIZNRF-KBPBESRZSA-N 1 0 336.392 1.875 20 5 EDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598668404 449529559 /nfs/dbraw/zinc/52/95/59/449529559.db2.gz OEOJCMAGBWMVJM-MNOVXSKESA-N 1 0 335.364 1.055 20 5 EDBDRO O=C1[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C1CCC1 ZINC000600761270 449537982 /nfs/dbraw/zinc/53/79/82/449537982.db2.gz ODENTGIWKIFQJZ-HOCLYGCPSA-N 1 0 349.387 1.078 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000617280887 449541791 /nfs/dbraw/zinc/54/17/91/449541791.db2.gz OTAMYZBOKPCQOZ-UHFFFAOYSA-N 1 0 342.355 1.961 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000594484811 449549472 /nfs/dbraw/zinc/54/94/72/449549472.db2.gz VBHVOZSOJDKLML-LSDHHAIUSA-N 1 0 339.417 1.890 20 5 EDBDRO [NH3+]C[C@H](O)COc1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1 ZINC000600794373 449549692 /nfs/dbraw/zinc/54/96/92/449549692.db2.gz SZSXTARINQLATF-HNNXBMFYSA-N 1 0 332.356 1.495 20 5 EDBDRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000596454910 449511028 /nfs/dbraw/zinc/51/10/28/449511028.db2.gz XUDKPPIMEOGZGS-OAHLLOKOSA-N 1 0 344.371 1.420 20 5 EDBDRO C[C@@H]1CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H]1CO ZINC000598645719 449516258 /nfs/dbraw/zinc/51/62/58/449516258.db2.gz GMRBTKHFZQMUSZ-OLZOCXBDSA-N 1 0 349.387 1.843 20 5 EDBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H]1OC ZINC000614247602 449524413 /nfs/dbraw/zinc/52/44/13/449524413.db2.gz BOVXKLGAGQCZOI-IUIKQTSFSA-N 1 0 338.360 1.648 20 5 EDBDRO CC(C)Oc1nc(N2CC[NH+](C(C)(C)CO)CC2)ccc1[N+](=O)[O-] ZINC000594556265 449575001 /nfs/dbraw/zinc/57/50/01/449575001.db2.gz KYHXFWRZTDPIGV-UHFFFAOYSA-N 1 0 338.408 1.670 20 5 EDBDRO C[NH+](C)CCC[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)CCO1 ZINC000596566246 449555325 /nfs/dbraw/zinc/55/53/25/449555325.db2.gz HWBKYDHLBKLKBI-NSHDSACASA-N 1 0 326.372 1.863 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598714758 449559087 /nfs/dbraw/zinc/55/90/87/449559087.db2.gz KFPXEJWFPHAPAV-VXGBXAGGSA-N 1 0 327.406 1.583 20 5 EDBDRO C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCC1 ZINC000600816244 449560573 /nfs/dbraw/zinc/56/05/73/449560573.db2.gz MBIBQGZBIBBQIQ-UHFFFAOYSA-N 1 0 333.392 1.123 20 5 EDBDRO Cn1nnc2c1CC[C@H]([NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C2 ZINC000594521109 449560837 /nfs/dbraw/zinc/56/08/37/449560837.db2.gz LWBBJCLPBLFLNT-YWPYICTPSA-N 1 0 345.407 1.551 20 5 EDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594525998 449562229 /nfs/dbraw/zinc/56/22/29/449562229.db2.gz ZORZWHLEOKULEZ-NSHDSACASA-N 1 0 334.298 1.668 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598721104 449562769 /nfs/dbraw/zinc/56/27/69/449562769.db2.gz SGNYUSSGLQKFGX-ZYHUDNBSSA-N 1 0 327.406 1.712 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598721284 449563276 /nfs/dbraw/zinc/56/32/76/449563276.db2.gz ULHIFLJOPFPNTL-HZMBPMFUSA-N 1 0 341.389 1.105 20 5 EDBDRO C[NH2+]CCOCCN(C)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000602549186 449668323 /nfs/dbraw/zinc/66/83/23/449668323.db2.gz SOMBHSVSPVVOSS-UHFFFAOYSA-N 1 0 327.406 1.625 20 5 EDBDRO Cc1cc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000596825772 449671241 /nfs/dbraw/zinc/67/12/41/449671241.db2.gz ZAXYNRAHOCAIRQ-HNNXBMFYSA-N 1 0 348.403 1.966 20 5 EDBDRO C[NH2+]CCOCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000602562949 449675494 /nfs/dbraw/zinc/67/54/94/449675494.db2.gz IQNPMOLDJAZYAF-UHFFFAOYSA-N 1 0 336.392 1.161 20 5 EDBDRO C[C@@H](CCNS(=O)(=O)c1ncccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000594770650 449683563 /nfs/dbraw/zinc/68/35/63/449683563.db2.gz BQDJNEFLJQOFAZ-LBPRGKRZSA-N 1 0 342.421 1.533 20 5 EDBDRO O=C(NCCCN1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000598914439 449644591 /nfs/dbraw/zinc/64/45/91/449644591.db2.gz DSEFEAUYKRCQHY-UHFFFAOYSA-N 1 0 325.344 1.151 20 5 EDBDRO Cn1ccnc1[C@H](NCC[N@@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599092499 449727124 /nfs/dbraw/zinc/72/71/24/449727124.db2.gz IZYBRNBNVPJTDE-JKSUJKDBSA-N 1 0 345.403 1.074 20 5 EDBDRO [NH3+]CC1(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000599102137 449732856 /nfs/dbraw/zinc/73/28/56/449732856.db2.gz GMSOQTRUMBSBRP-UHFFFAOYSA-N 1 0 349.796 1.034 20 5 EDBDRO C[NH+](C)CC(=O)N1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601103862 449690633 /nfs/dbraw/zinc/69/06/33/449690633.db2.gz KHTCNWIJBWSPSJ-UHFFFAOYSA-N 1 0 343.387 1.353 20 5 EDBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594778701 449690839 /nfs/dbraw/zinc/69/08/39/449690839.db2.gz URDDFQOMKNJUIO-UHFFFAOYSA-N 1 0 342.421 1.486 20 5 EDBDRO COc1ccc(CSCC(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000602594719 449693408 /nfs/dbraw/zinc/69/34/08/449693408.db2.gz CMXWUSSPWPAMQZ-PWSUYJOCSA-N 1 0 339.417 1.785 20 5 EDBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H](O)C(F)(F)F ZINC000602741336 449777534 /nfs/dbraw/zinc/77/75/34/449777534.db2.gz ARPABSOBXOTSGK-ZANVPECISA-N 1 0 348.325 1.860 20 5 EDBDRO C[NH+]1CCC(O)(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601264119 449785577 /nfs/dbraw/zinc/78/55/77/449785577.db2.gz UVBXKUWAQQHOTG-UHFFFAOYSA-N 1 0 347.415 1.589 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC000599112182 449743640 /nfs/dbraw/zinc/74/36/40/449743640.db2.gz UQSIMBXWUBETQC-GASCZTMLSA-N 1 0 339.417 1.523 20 5 EDBDRO CCN1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1=O ZINC000602685123 449748707 /nfs/dbraw/zinc/74/87/07/449748707.db2.gz LFZCEMJFMVOFKA-ZDUSSCGKSA-N 1 0 333.392 1.169 20 5 EDBDRO C[C@@H](O)CN1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000601244052 449770654 /nfs/dbraw/zinc/77/06/54/449770654.db2.gz KYXNMKKLIUSUKS-WDEREUQCSA-N 1 0 325.340 1.261 20 5 EDBDRO CS[C@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000602809842 449825176 /nfs/dbraw/zinc/82/51/76/449825176.db2.gz QVHXMZBEUJQNQD-KGLIPLIRSA-N 1 0 339.465 1.611 20 5 EDBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601337629 449846234 /nfs/dbraw/zinc/84/62/34/449846234.db2.gz GBUQSXLCIAPLFH-SNVBAGLBSA-N 1 0 333.435 1.727 20 5 EDBDRO CCN1CCCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000601337494 449846365 /nfs/dbraw/zinc/84/63/65/449846365.db2.gz BAZMGUARMHSPSO-UHFFFAOYSA-N 1 0 345.396 1.759 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c([N+](=O)[O-])s1 ZINC000601345541 449855824 /nfs/dbraw/zinc/85/58/24/449855824.db2.gz VWCRDXKRZUBYND-BETUJISGSA-N 1 0 345.446 1.585 20 5 EDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000595080397 449858912 /nfs/dbraw/zinc/85/89/12/449858912.db2.gz WINVCFFEDGBQTI-PBHICJAKSA-N 1 0 338.404 1.674 20 5 EDBDRO COc1ccc(CN(CC[NH+](C)C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000597206169 449870113 /nfs/dbraw/zinc/87/01/13/449870113.db2.gz RAGILGOCXWFNJM-UHFFFAOYSA-N 1 0 338.408 1.055 20 5 EDBDRO C[C@@H]1CC2(CN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1)CC[NH2+]CC2 ZINC000595112468 449874937 /nfs/dbraw/zinc/87/49/37/449874937.db2.gz BBHBDWZYXJQLTC-LLVKDONJSA-N 1 0 340.405 1.143 20 5 EDBDRO [NH3+]CC12CC(C1)CN2S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000595117996 449878580 /nfs/dbraw/zinc/87/85/80/449878580.db2.gz MXPBZANGTKIZKG-UHFFFAOYSA-N 1 0 348.384 1.255 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000601419189 449936532 /nfs/dbraw/zinc/93/65/32/449936532.db2.gz FPAOZSVFCSJGIE-GWCFXTLKSA-N 1 0 343.380 1.367 20 5 EDBDRO Cn1cc(C(=O)NC[C@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000602941215 449944065 /nfs/dbraw/zinc/94/40/65/449944065.db2.gz HHQJUQPFOAJNRA-MRXNPFEDSA-N 1 0 343.387 1.723 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000602902425 449908302 /nfs/dbraw/zinc/90/83/02/449908302.db2.gz LRPVYCZDRJDBEG-UHFFFAOYSA-N 1 0 332.408 1.918 20 5 EDBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@H](C[NH3+])C1 ZINC000595258096 449981617 /nfs/dbraw/zinc/98/16/17/449981617.db2.gz JDDNPHRPZFQYMY-PWSUYJOCSA-N 1 0 335.360 1.565 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(c3cccc(F)c3)CC2)c1 ZINC000603016344 450010222 /nfs/dbraw/zinc/01/02/22/450010222.db2.gz RMIICOSHQWGUBF-INIZCTEOSA-N 1 0 349.366 1.114 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609387992 450024440 /nfs/dbraw/zinc/02/44/40/450024440.db2.gz WHEGENCUJVLJOZ-CYBMUJFWSA-N 1 0 339.417 1.666 20 5 EDBDRO NC(=O)c1cn(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000599576696 450077891 /nfs/dbraw/zinc/07/78/91/450077891.db2.gz QROIDBKBSRMOBV-UHFFFAOYSA-N 1 0 330.348 1.122 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)c1nccn1C ZINC000595384556 450099107 /nfs/dbraw/zinc/09/91/07/450099107.db2.gz XPFQZTDUNDXKED-VIFPVBQESA-N 1 0 340.361 1.376 20 5 EDBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000613390134 450160874 /nfs/dbraw/zinc/16/08/74/450160874.db2.gz XTLBJHHKCXZGDB-CZUORRHYSA-N 1 0 331.372 1.511 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000597702183 450207494 /nfs/dbraw/zinc/20/74/94/450207494.db2.gz YRCPUTUNEIRWSY-CABZTGNLSA-N 1 0 325.340 1.907 20 5 EDBDRO CCC1([NH+]2CCCC2)CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000601743636 450208337 /nfs/dbraw/zinc/20/83/37/450208337.db2.gz CUJCWAULDXNBKA-UHFFFAOYSA-N 1 0 349.435 1.967 20 5 EDBDRO C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1[NH+]1CCOCC1 ZINC000618585100 450252932 /nfs/dbraw/zinc/25/29/32/450252932.db2.gz WYSOHFZHLCWQTL-ABAIWWIYSA-N 1 0 331.376 1.628 20 5 EDBDRO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618868808 450324763 /nfs/dbraw/zinc/32/47/63/450324763.db2.gz AHEHBKLDNLXLKM-AWEZNQCLSA-N 1 0 333.392 1.582 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000619481598 450485329 /nfs/dbraw/zinc/48/53/29/450485329.db2.gz KNJLJDOJCPDZQF-SNVBAGLBSA-N 1 0 343.405 1.364 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000057553210 491167012 /nfs/dbraw/zinc/16/70/12/491167012.db2.gz CYOGRZDQBWPITG-CYBMUJFWSA-N 1 0 341.371 1.747 20 5 EDBDRO Cc1c(C(=O)N(C)CC[N@H+](C)C2CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000186773856 533734744 /nfs/dbraw/zinc/73/47/44/533734744.db2.gz ZKJLNECVVFHWIH-UHFFFAOYSA-N 1 0 336.348 1.978 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000174019891 527838867 /nfs/dbraw/zinc/83/88/67/527838867.db2.gz WEDROTGKOWYKOF-GFCCVEGCSA-N 1 0 327.406 1.557 20 5 EDBDRO CC[N@H+](C)[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000129974173 527864805 /nfs/dbraw/zinc/86/48/05/527864805.db2.gz SYBPPFLUOZJZDY-HNNXBMFYSA-N 1 0 331.376 1.601 20 5 EDBDRO CCNC(=O)[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000339319413 535390845 /nfs/dbraw/zinc/39/08/45/535390845.db2.gz GAPXSHYDHWXHPA-WFASDCNBSA-N 1 0 339.392 1.085 20 5 EDBDRO CC[N@H+](CCC(=O)OC)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000271117699 535711056 /nfs/dbraw/zinc/71/10/56/535711056.db2.gz FMUWJZGOUYBCOD-UHFFFAOYSA-N 1 0 326.349 1.997 20 5 EDBDRO Cn1c(C(=O)NCc2ccncc2OCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000345307180 535918941 /nfs/dbraw/zinc/91/89/41/535918941.db2.gz ZPSVIOXPIJJBHO-UHFFFAOYSA-N 1 0 347.375 1.199 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)CC[C@H]21 ZINC000245517120 536379408 /nfs/dbraw/zinc/37/94/08/536379408.db2.gz GNQUZJZTTJQFKU-DGCLKSJQSA-N 1 0 347.371 1.880 20 5 EDBDRO COc1cc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000262200146 536891170 /nfs/dbraw/zinc/89/11/70/536891170.db2.gz KJBBKLJMFCRRRN-CYZMBNFOSA-N 1 0 349.387 1.811 20 5 EDBDRO Nc1c(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000749389127 579724598 /nfs/dbraw/zinc/72/45/98/579724598.db2.gz IBQRPEREEHAHDF-CYBMUJFWSA-N 1 0 348.403 1.550 20 5 EDBDRO Cc1nn(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749799288 579740124 /nfs/dbraw/zinc/74/01/24/579740124.db2.gz WFDVEZVSHXOMRG-STQMWFEESA-N 1 0 331.376 1.964 20 5 EDBDRO Nc1ccc(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000751383924 579803901 /nfs/dbraw/zinc/80/39/01/579803901.db2.gz KWYAWDJIUBESFX-CQSZACIVSA-N 1 0 348.403 1.504 20 5 EDBDRO C[NH+](C)C[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000751964389 579830837 /nfs/dbraw/zinc/83/08/37/579830837.db2.gz XFEYNENJTDAZJJ-MRXNPFEDSA-N 1 0 336.392 1.212 20 5 EDBDRO Cc1cc(F)cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000753094914 579872459 /nfs/dbraw/zinc/87/24/59/579872459.db2.gz RRVCDABFSTZCBO-QWHCGFSZSA-N 1 0 337.351 1.635 20 5 EDBDRO Cc1cc(F)cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000753094916 579872506 /nfs/dbraw/zinc/87/25/06/579872506.db2.gz RRVCDABFSTZCBO-STQMWFEESA-N 1 0 337.351 1.635 20 5 EDBDRO COC(=O)C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000754515759 579905031 /nfs/dbraw/zinc/90/50/31/579905031.db2.gz AQPVEVQFIYILGR-AWEZNQCLSA-N 1 0 335.360 1.855 20 5 EDBDRO CC(=O)N1CCC([NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000768899381 580223814 /nfs/dbraw/zinc/22/38/14/580223814.db2.gz AGLRSCVNBREYNE-UHFFFAOYSA-N 1 0 332.404 1.728 20 5 EDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000773535500 580340011 /nfs/dbraw/zinc/34/00/11/580340011.db2.gz UKPMBNSEHTZRAK-RRGWEWPQSA-N 1 0 330.388 1.114 20 5 EDBDRO C[NH+]1CCC(ONC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000773549696 580340636 /nfs/dbraw/zinc/34/06/36/580340636.db2.gz KNKZKZYYSLVDFB-UHFFFAOYSA-N 1 0 348.403 1.951 20 5 EDBDRO Cc1nnc([C@H]2CCC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000776586246 580422487 /nfs/dbraw/zinc/42/24/87/580422487.db2.gz LRIODRFMFRFJQZ-DZGCQCFKSA-N 1 0 331.376 1.934 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)C ZINC000780855091 580535061 /nfs/dbraw/zinc/53/50/61/580535061.db2.gz FEMQRGLBXCYFQK-UHFFFAOYSA-N 1 0 333.385 1.743 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000780865156 580535543 /nfs/dbraw/zinc/53/55/43/580535543.db2.gz DGPXJZACYFDQTR-LBPRGKRZSA-N 1 0 327.406 1.666 20 5 EDBDRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000780867303 580535941 /nfs/dbraw/zinc/53/59/41/580535941.db2.gz PICGAAOSIXBHDF-JTQLQIEISA-N 1 0 331.369 1.497 20 5 EDBDRO C[N@@H+]1CC[C@H](CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000781632634 580553546 /nfs/dbraw/zinc/55/35/46/580553546.db2.gz YYBNJTKLJHLJHJ-LLVKDONJSA-N 1 0 336.348 1.504 20 5 EDBDRO C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788662195 580727409 /nfs/dbraw/zinc/72/74/09/580727409.db2.gz BZTAPTULIJAOBT-NHYWBVRUSA-N 1 0 348.403 1.608 20 5 EDBDRO O=[N+]([O-])CCN1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000791052940 580783594 /nfs/dbraw/zinc/78/35/94/580783594.db2.gz PRSKUROLVOCWOZ-MRXNPFEDSA-N 1 0 333.436 1.192 20 5 EDBDRO O=c1oc2cccc([N+](=O)[O-])c2n1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000794625840 580900209 /nfs/dbraw/zinc/90/02/09/580900209.db2.gz BVBGDSMQYGZMFY-GFCCVEGCSA-N 1 0 332.360 1.630 20 5 EDBDRO C[C@H](c1ccccc1)[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000794716943 580904401 /nfs/dbraw/zinc/90/44/01/580904401.db2.gz ILPHJNWJMLDRDA-CSMYWGQOSA-N 1 0 343.383 1.875 20 5 EDBDRO CNC(=O)[C@]1(C)CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000797418609 580975249 /nfs/dbraw/zinc/97/52/49/580975249.db2.gz ZIGMIMRJLKBIPN-QGZVFWFLSA-N 1 0 343.387 1.874 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801882646 581087131 /nfs/dbraw/zinc/08/71/31/581087131.db2.gz NCOCUQDCIMRBCI-SNVBAGLBSA-N 1 0 340.355 1.157 20 5 EDBDRO C[NH+](C)CCCNC(=S)NCCNc1ccccc1[N+](=O)[O-] ZINC000007369610 590772618 /nfs/dbraw/zinc/77/26/18/590772618.db2.gz RYUAVDTTXSSAIO-UHFFFAOYSA-N 1 0 325.438 1.423 20 5 EDBDRO COCCOC[C@H]1CC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892133257 590816201 /nfs/dbraw/zinc/81/62/01/590816201.db2.gz MUUCNDDUNZQCBY-LBPRGKRZSA-N 1 0 340.376 1.794 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)C2)c1 ZINC000895677317 591245302 /nfs/dbraw/zinc/24/53/02/591245302.db2.gz LGUCLIWIVVZGLQ-IEIXJENWSA-N 1 0 344.240 1.643 20 5 EDBDRO Cn1c2ccccc2c(N2CCC[C@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1=O ZINC000894276493 591261464 /nfs/dbraw/zinc/26/14/64/591261464.db2.gz UHCONQBYBWHUNO-SWLSCSKDSA-N 1 0 342.399 1.977 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCCN4CCSC[C@H]34)C2)c1 ZINC000896429702 591464611 /nfs/dbraw/zinc/46/46/11/591464611.db2.gz RSIWBVFPLCEYLV-BBNOBNGHSA-N 1 0 337.449 1.664 20 5 EDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1C[N@H+](C)CCN1C ZINC000896551516 591517309 /nfs/dbraw/zinc/51/73/09/591517309.db2.gz ZUNAIDKGROUIMR-IINYFYTJSA-N 1 0 340.811 1.612 20 5 EDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841245428 591584525 /nfs/dbraw/zinc/58/45/25/591584525.db2.gz XKQIHFMYCTURCL-XVKPBYJWSA-N 1 0 326.740 1.135 20 5 EDBDRO CCOC(=O)c1ccnc(N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000896914960 591679196 /nfs/dbraw/zinc/67/91/96/591679196.db2.gz RSURXMLPJUNTMG-MEDUHNTESA-N 1 0 334.376 1.554 20 5 EDBDRO C[C@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000897868654 591700243 /nfs/dbraw/zinc/70/02/43/591700243.db2.gz KKPGZJRBFOTWHX-LBPRGKRZSA-N 1 0 333.388 1.883 20 5 EDBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000897221894 591776494 /nfs/dbraw/zinc/77/64/94/591776494.db2.gz PXBWBKZAHPGWAW-IAGOWNOFSA-N 1 0 335.404 1.777 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900048347 591882598 /nfs/dbraw/zinc/88/25/98/591882598.db2.gz CRXPCJWJMKWQMF-IUODEOHRSA-N 1 0 341.795 1.662 20 5 EDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[NH2+]CCC23CCOCC3)s1 ZINC000900421360 592014447 /nfs/dbraw/zinc/01/44/47/592014447.db2.gz FUGKUSUUCVMVIZ-UHFFFAOYSA-N 1 0 349.416 1.948 20 5 EDBDRO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CCO1 ZINC000900740301 592114299 /nfs/dbraw/zinc/11/42/99/592114299.db2.gz VMEWUTSCKAZBSE-SNVBAGLBSA-N 1 0 345.758 1.790 20 5 EDBDRO C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000900805173 592129484 /nfs/dbraw/zinc/12/94/84/592129484.db2.gz OOANVXYXRWYFON-QTPKMNKOSA-N 1 0 332.404 1.359 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC[NH2+]C)C(C)C ZINC000903590115 592229698 /nfs/dbraw/zinc/22/96/98/592229698.db2.gz NRCNDXODZIWGBU-UHFFFAOYSA-N 1 0 329.422 1.776 20 5 EDBDRO CC(C)[N@H+](C)CCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906682378 592263958 /nfs/dbraw/zinc/26/39/58/592263958.db2.gz NPMQRISUQJJJDL-UHFFFAOYSA-N 1 0 337.376 1.826 20 5 EDBDRO C[N@H+]1CC=C(CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC1 ZINC000907226126 592557986 /nfs/dbraw/zinc/55/79/86/592557986.db2.gz GMCAAXMWRZFGBI-UHFFFAOYSA-N 1 0 347.371 1.748 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@@H](C)C1 ZINC000910282872 592820008 /nfs/dbraw/zinc/82/00/08/592820008.db2.gz CEMCQCGHVJVLHM-LBPRGKRZSA-N 1 0 349.387 1.922 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC000912151569 593066306 /nfs/dbraw/zinc/06/63/06/593066306.db2.gz YTJOHQQYVNJZNW-FZMZJTMJSA-N 1 0 327.768 1.320 20 5 EDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1 ZINC000912274645 593084458 /nfs/dbraw/zinc/08/44/58/593084458.db2.gz YYEOPFXFXJJBLA-KBMXLJTQSA-N 1 0 333.388 1.758 20 5 EDBDRO C[NH+](C)CCOCCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809917916 593372225 /nfs/dbraw/zinc/37/22/25/593372225.db2.gz QSHQFODWYAABDM-UHFFFAOYSA-N 1 0 330.772 1.948 20 5 EDBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H]3CC3[N+](=O)[O-])c2)CC1 ZINC000839718146 593373225 /nfs/dbraw/zinc/37/32/25/593373225.db2.gz QSLJMLUEASNWHU-HZPDHXFCSA-N 1 0 332.404 1.821 20 5 EDBDRO CN(C[C@@H]1CCC[N@@H+]1C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000817375736 593598501 /nfs/dbraw/zinc/59/85/01/593598501.db2.gz ZLXDUUNOGKRESV-AWEZNQCLSA-N 1 0 347.419 1.820 20 5 EDBDRO [NH3+]CCCn1cc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)nn1 ZINC000817960786 593651871 /nfs/dbraw/zinc/65/18/71/593651871.db2.gz PVVPXQCJMMILQO-UHFFFAOYSA-N 1 0 338.755 1.119 20 5 EDBDRO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@@]1(C)C[NH3+] ZINC000818008697 593656626 /nfs/dbraw/zinc/65/66/26/593656626.db2.gz XCXHMDIHQDSFQN-MEBBXXQBSA-N 1 0 325.340 1.556 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCOc2ccccc2F)c1 ZINC000818945001 593729397 /nfs/dbraw/zinc/72/93/97/593729397.db2.gz SQBYTMIAFCGHOO-ZDUSSCGKSA-N 1 0 338.339 1.350 20 5 EDBDRO CN(CCCN1C(=O)c2ccccc2C1=O)Cn1cc([N+](=O)[O-])cn1 ZINC000819901030 593775529 /nfs/dbraw/zinc/77/55/29/593775529.db2.gz PAMTXLRNRMANKU-UHFFFAOYSA-N 1 0 343.343 1.367 20 5 EDBDRO C[NH+](C)C1(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CCCCC1 ZINC000821581692 593868135 /nfs/dbraw/zinc/86/81/35/593868135.db2.gz SFUVZUBKSMVRAD-UHFFFAOYSA-N 1 0 346.395 1.846 20 5 EDBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820752171 593881197 /nfs/dbraw/zinc/88/11/97/593881197.db2.gz KZSVMNCDPDZNOL-KOLCDFICSA-N 1 0 332.368 1.311 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821625104 593886273 /nfs/dbraw/zinc/88/62/73/593886273.db2.gz FWMKIMYPCVTROE-FZMZJTMJSA-N 1 0 343.391 1.695 20 5 EDBDRO COC1CC[NH+](CCNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823980906 593900553 /nfs/dbraw/zinc/90/05/53/593900553.db2.gz SUDXTWYKXOBFCW-UHFFFAOYSA-N 1 0 337.380 1.409 20 5 EDBDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@@H]2C1 ZINC000821333136 594019975 /nfs/dbraw/zinc/01/99/75/594019975.db2.gz ZVTIXLKRXDWGGP-GASCZTMLSA-N 1 0 347.371 1.371 20 5 EDBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NC[C@@H](C)[NH+](C)C ZINC000822456997 594051565 /nfs/dbraw/zinc/05/15/65/594051565.db2.gz FVBNUTIXPPUBMA-MRVPVSSYSA-N 1 0 326.328 1.372 20 5 EDBDRO O=[N+]([O-])c1ccccc1NCCc1noc(C[C@@H]2COCC[NH2+]2)n1 ZINC000822791609 594100991 /nfs/dbraw/zinc/10/09/91/594100991.db2.gz ULALOWIWRJXVDV-LLVKDONJSA-N 1 0 333.348 1.163 20 5 EDBDRO COc1cc(Cc2noc(C[C@@H]3COCC[NH2+]3)n2)ccc1[N+](=O)[O-] ZINC000822863922 594113594 /nfs/dbraw/zinc/11/35/94/594113594.db2.gz VTGBFLNADNSSKZ-LLVKDONJSA-N 1 0 334.332 1.108 20 5 EDBDRO CN(C)CC[NH+]1CCC(CNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000823310048 594183799 /nfs/dbraw/zinc/18/37/99/594183799.db2.gz GXKMRIUFOVKQOA-UHFFFAOYSA-N 1 0 328.457 1.212 20 5 EDBDRO O=[N+]([O-])c1ccc(NCCCc2nc(N3CC[NH2+]CC3)no2)cc1 ZINC000823321136 594185597 /nfs/dbraw/zinc/18/55/97/594185597.db2.gz VKPUJXRQUMVLIO-UHFFFAOYSA-N 1 0 332.364 1.432 20 5 EDBDRO [NH3+]Cc1cccc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000829937629 594296157 /nfs/dbraw/zinc/29/61/57/594296157.db2.gz OHNSVVNHBDSOIO-AWEZNQCLSA-N 1 0 341.371 1.775 20 5 EDBDRO CCO[C@@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])C[NH+](C)C ZINC000831707914 594694498 /nfs/dbraw/zinc/69/44/98/594694498.db2.gz ORAFQHQJLHDULD-LBPRGKRZSA-N 1 0 327.356 1.359 20 5 EDBDRO CC(C)[N@H+](C)CCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000102062479 594820141 /nfs/dbraw/zinc/82/01/41/594820141.db2.gz XUKCGRIFYZVIJZ-UHFFFAOYSA-N 1 0 349.435 1.767 20 5 EDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841159452 594860152 /nfs/dbraw/zinc/86/01/52/594860152.db2.gz GOIDQKPVLVBZPZ-JTQLQIEISA-N 1 0 340.767 1.445 20 5 EDBDRO CCC[NH2+]CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841197941 594867150 /nfs/dbraw/zinc/86/71/50/594867150.db2.gz KRZZRHGXLUWXMK-UHFFFAOYSA-N 1 0 328.756 1.303 20 5 EDBDRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843384350 595096065 /nfs/dbraw/zinc/09/60/65/595096065.db2.gz NMOWYADYMKPGPT-ZDUSSCGKSA-N 1 0 327.768 1.585 20 5 EDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000843454859 595116518 /nfs/dbraw/zinc/11/65/18/595116518.db2.gz XZMFGCZWBFYOOW-LLVKDONJSA-N 1 0 325.340 1.713 20 5 EDBDRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000842482535 595118811 /nfs/dbraw/zinc/11/88/11/595118811.db2.gz AHJFHZLMVBYWKT-CQSZACIVSA-N 1 0 341.433 1.445 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000843478922 595124554 /nfs/dbraw/zinc/12/45/54/595124554.db2.gz PFHXODLIYKZPGM-LLHLLMPMSA-N 1 0 336.348 1.928 20 5 EDBDRO C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000842700184 595174109 /nfs/dbraw/zinc/17/41/09/595174109.db2.gz VXJDVNFJSWJYTI-NXEZZACHSA-N 1 0 347.824 1.915 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000842764203 595191645 /nfs/dbraw/zinc/19/16/45/595191645.db2.gz KWDRTFULDYTKBL-NXEZZACHSA-N 1 0 347.824 1.928 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc([N+](=O)[O-])c1F ZINC000842834738 595212147 /nfs/dbraw/zinc/21/21/47/595212147.db2.gz AIYKNDOBTUVIAQ-VHSXEESVSA-N 1 0 331.369 1.413 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000842914992 595234420 /nfs/dbraw/zinc/23/44/20/595234420.db2.gz PMNVPSISIZJTMS-DTWKUNHWSA-N 1 0 335.813 1.961 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](CO)Cc2cccnc2)c1 ZINC000843111485 595289026 /nfs/dbraw/zinc/28/90/26/595289026.db2.gz SPYSELVASLJRSE-YOEHRIQHSA-N 1 0 331.372 1.464 20 5 EDBDRO CC(C)[C@H]([NH3+])c1noc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)n1 ZINC000843153794 595296630 /nfs/dbraw/zinc/29/66/30/595296630.db2.gz OFVUKZQDKIKCLH-LBPRGKRZSA-N 1 0 329.320 1.881 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848591725 595412081 /nfs/dbraw/zinc/41/20/81/595412081.db2.gz XDAJFXRQWCTKMC-GWCFXTLKSA-N 1 0 341.314 1.729 20 5 EDBDRO [NH3+]C[C@@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000848598093 595414486 /nfs/dbraw/zinc/41/44/86/595414486.db2.gz WALYBYFFVZEHGS-LLVKDONJSA-N 1 0 332.282 1.552 20 5 EDBDRO O=C(N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857767550 595601522 /nfs/dbraw/zinc/60/15/22/595601522.db2.gz FJPSGCNRAZNZBW-MNOVXSKESA-N 1 0 341.314 1.919 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000853082056 595659092 /nfs/dbraw/zinc/65/90/92/595659092.db2.gz BIIKXISCOLJTDE-LBPRGKRZSA-N 1 0 333.797 1.587 20 5 EDBDRO C[C@@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000858631557 595850648 /nfs/dbraw/zinc/85/06/48/595850648.db2.gz GANMUHIWWGQQGS-DTORHVGOSA-N 1 0 349.359 1.778 20 5 EDBDRO O=[N+]([O-])c1c(N2CCC(CO)([NH2+]CC3CC3)CC2)nc2ccccn21 ZINC000853676733 595852558 /nfs/dbraw/zinc/85/25/58/595852558.db2.gz GTEXQFVBHVHJLY-UHFFFAOYSA-N 1 0 345.403 1.573 20 5 EDBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cccc([N+](=O)[O-])c1Cl ZINC000861863239 596128692 /nfs/dbraw/zinc/12/86/92/596128692.db2.gz NBYHUVPBQSCQIL-LLVKDONJSA-N 1 0 341.795 1.825 20 5 EDBDRO Cc1c(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000854655651 596151953 /nfs/dbraw/zinc/15/19/53/596151953.db2.gz RVJBFDSOAOONDB-GWCFXTLKSA-N 1 0 336.348 1.976 20 5 EDBDRO O=c1ccc([C@H]2CCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000859890426 596216725 /nfs/dbraw/zinc/21/67/25/596216725.db2.gz UTSAOHNVNXFLQO-CABCVRRESA-N 1 0 330.344 1.961 20 5 EDBDRO O=C(CCN1CCc2nccnc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000852698205 596229319 /nfs/dbraw/zinc/22/93/19/596229319.db2.gz ONCAAMBQRSMRIY-UHFFFAOYSA-N 1 0 345.334 1.911 20 5 EDBDRO CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852698984 596229361 /nfs/dbraw/zinc/22/93/61/596229361.db2.gz VSNBJQBZMHWBCE-ZBFHGGJFSA-N 1 0 335.404 1.865 20 5 EDBDRO O=C(N1CCC[C@H]2[NH2+]CC[C@H]21)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000864620892 596286759 /nfs/dbraw/zinc/28/67/59/596286759.db2.gz RAYNOFRCLYGMLG-CHWSQXEVSA-N 1 0 341.314 1.919 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866830168 596369982 /nfs/dbraw/zinc/36/99/82/596369982.db2.gz BMSMYJVKIOTLEL-MNOVXSKESA-N 1 0 345.808 1.763 20 5 EDBDRO O=C(CCC12CC(C1)C[NH2+]2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000870853690 596377639 /nfs/dbraw/zinc/37/76/39/596377639.db2.gz CTTUDCKSQLDRTK-UHFFFAOYSA-N 1 0 344.415 1.776 20 5 EDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000865485528 596588025 /nfs/dbraw/zinc/58/80/25/596588025.db2.gz RZJWNQZVFRMTMQ-RKDXNWHRSA-N 1 0 349.313 1.622 20 5 EDBDRO O=C1OC[C@@]2(C[NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])COCCN12 ZINC000865770538 596676782 /nfs/dbraw/zinc/67/67/82/596676782.db2.gz SBCAZYNXFFPTCK-CQSZACIVSA-N 1 0 341.751 1.559 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000866152942 596807362 /nfs/dbraw/zinc/80/73/62/596807362.db2.gz IOBRAKQMZHTRSD-FZMZJTMJSA-N 1 0 332.360 1.086 20 5 EDBDRO C[NH+](C)CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864416610 596887270 /nfs/dbraw/zinc/88/72/70/596887270.db2.gz YINLILFUCOBPHM-UHFFFAOYSA-N 1 0 330.182 1.578 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(Cn3c(=O)oc4cccc([N+](=O)[O-])c43)CC[C@H]21 ZINC000872724797 597047307 /nfs/dbraw/zinc/04/73/07/597047307.db2.gz XQFKQYPINZLJFL-NWDGAFQWSA-N 1 0 332.360 1.486 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]21 ZINC000872726586 597048050 /nfs/dbraw/zinc/04/80/50/597048050.db2.gz SEAVJTDHNRTYJQ-HOCLYGCPSA-N 1 0 342.403 1.837 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c(C)c1[N+](=O)[O-] ZINC000874840568 597193823 /nfs/dbraw/zinc/19/38/23/597193823.db2.gz PJBCKTPXTYHYNM-KGLIPLIRSA-N 1 0 335.408 1.493 20 5 EDBDRO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000876551841 597237542 /nfs/dbraw/zinc/23/75/42/597237542.db2.gz YPUAZWCYGPFDLP-LSDHHAIUSA-N 1 0 332.404 1.617 20 5 EDBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000876553760 597238023 /nfs/dbraw/zinc/23/80/23/597238023.db2.gz XIMSWDALAVNBMD-DOMZBBRYSA-N 1 0 332.404 1.617 20 5 EDBDRO COc1cc(OCC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000877278897 597485674 /nfs/dbraw/zinc/48/56/74/597485674.db2.gz ATDOIWSBCMOBSS-OLZOCXBDSA-N 1 0 335.360 1.335 20 5 EDBDRO C[NH+]1CCC(NC(=O)CN(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000878285827 597592694 /nfs/dbraw/zinc/59/26/94/597592694.db2.gz HBYWHKONCWOHIQ-UHFFFAOYSA-N 1 0 346.431 1.770 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC([NH+]2CCN(C)CC2)CC1 ZINC000879597180 597651424 /nfs/dbraw/zinc/65/14/24/597651424.db2.gz XTLOCYCUYBVQAN-UHFFFAOYSA-N 1 0 348.447 1.815 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]CCC23CCC3)s1 ZINC000883478416 597767792 /nfs/dbraw/zinc/76/77/92/597767792.db2.gz HUVQUPKAXAUPBN-UHFFFAOYSA-N 1 0 331.419 1.563 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCCO2)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000883510120 597782246 /nfs/dbraw/zinc/78/22/46/597782246.db2.gz IEQXBDSLJOCOOS-RYUDHWBXSA-N 1 0 347.371 1.438 20 5 EDBDRO CC(C)(O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000879959641 597784511 /nfs/dbraw/zinc/78/45/11/597784511.db2.gz QQAROAWOEBIFFM-UKRRQHHQSA-N 1 0 338.404 1.817 20 5 EDBDRO C[C@@H](CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C[NH+]1CCCC1 ZINC000917714370 697066516 /nfs/dbraw/zinc/06/65/16/697066516.db2.gz UUJDFUMEIWMXGR-ZDUSSCGKSA-N 1 0 345.403 1.793 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000917760671 697071245 /nfs/dbraw/zinc/07/12/45/697071245.db2.gz HCRZPXXROYAELW-LBPRGKRZSA-N 1 0 327.406 1.748 20 5 EDBDRO C[NH+]1C[C@]2(C)CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000918351868 697156586 /nfs/dbraw/zinc/15/65/86/697156586.db2.gz OGBDKJNPQLNVLD-HUUCEWRRSA-N 1 0 339.417 1.557 20 5 EDBDRO C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000918467426 697170069 /nfs/dbraw/zinc/17/00/69/697170069.db2.gz JLRDRMRDQWLIGB-GFCCVEGCSA-N 1 0 334.376 1.524 20 5 EDBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000919688135 697319351 /nfs/dbraw/zinc/31/93/51/697319351.db2.gz QMQPEWCYHKOBNZ-CYBMUJFWSA-N 1 0 339.367 1.821 20 5 EDBDRO CC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN(C(=O)c2cn[nH]n2)CC1 ZINC000940196955 700335900 /nfs/dbraw/zinc/33/59/00/700335900.db2.gz ZXUFBOIVHZDNMA-UHFFFAOYSA-N 1 0 344.375 1.497 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2cc(F)ccc2F)CC1 ZINC000996429197 702783342 /nfs/dbraw/zinc/78/33/42/702783342.db2.gz LTGWDECFLKTJTJ-UKRRQHHQSA-N 1 0 339.342 1.711 20 5 EDBDRO CN1CCOC[C@]1(CO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000922533137 703933949 /nfs/dbraw/zinc/93/39/49/703933949.db2.gz MXACDPHENVJGFH-CQSZACIVSA-N 1 0 329.784 1.031 20 5 EDBDRO CC[C@]1(CO)CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000187616801 529424749 /nfs/dbraw/zinc/42/47/49/529424749.db2.gz HZIQFOSPXDVESW-YOEHRIQHSA-N 1 0 338.404 1.819 20 5 EDBDRO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC[NH+]1CCC1 ZINC000558641351 306241782 /nfs/dbraw/zinc/24/17/82/306241782.db2.gz MLRFCXILMGBMSG-UHFFFAOYSA-N 1 0 331.376 1.624 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000175080687 282194226 /nfs/dbraw/zinc/19/42/26/282194226.db2.gz ONLRRURAQNMLJM-NWDGAFQWSA-N 1 0 327.406 1.746 20 5 EDBDRO CCc1ccc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000174203609 529608093 /nfs/dbraw/zinc/60/80/93/529608093.db2.gz BFHUKAAZXJZKBV-CYBMUJFWSA-N 1 0 334.420 1.523 20 5 EDBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(OC)cc1 ZINC000174663919 529619832 /nfs/dbraw/zinc/61/98/32/529619832.db2.gz CXZJRFYEUPIIJW-HOCLYGCPSA-N 1 0 334.376 1.902 20 5 EDBDRO C[N@@H+]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000154400106 530053662 /nfs/dbraw/zinc/05/36/62/530053662.db2.gz OURSFDAVUVHPMY-UHFFFAOYSA-N 1 0 329.360 1.558 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000178002227 232055165 /nfs/dbraw/zinc/05/51/65/232055165.db2.gz HTEJCDBYJGBLOO-OLZOCXBDSA-N 1 0 348.403 1.831 20 5 EDBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178657164 232347437 /nfs/dbraw/zinc/34/74/37/232347437.db2.gz YBVVETLETNZQAD-IAQYHMDHSA-N 1 0 329.360 1.784 20 5 EDBDRO Cc1nn(CCC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000102487520 219207198 /nfs/dbraw/zinc/20/71/98/219207198.db2.gz WCZXMNUEZOPTHQ-ZDUSSCGKSA-N 1 0 335.408 1.399 20 5 EDBDRO CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000179083948 232731159 /nfs/dbraw/zinc/73/11/59/232731159.db2.gz VFUIBOUFRZFRPR-NSHDSACASA-N 1 0 327.768 1.837 20 5 EDBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000068467824 215311553 /nfs/dbraw/zinc/31/15/53/215311553.db2.gz KXWVERKYFAADAZ-GFCCVEGCSA-N 1 0 325.413 1.726 20 5 EDBDRO C[S@](=O)C1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000563003265 306315719 /nfs/dbraw/zinc/31/57/19/306315719.db2.gz QBEVQXYCRZVLDZ-MYODQAERSA-N 1 0 342.417 1.225 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1C ZINC000184305662 235361846 /nfs/dbraw/zinc/36/18/46/235361846.db2.gz MWLVZOGDQQBQNT-YUTCNCBUSA-N 1 0 339.417 1.569 20 5 EDBDRO Cc1cc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000184328927 235368117 /nfs/dbraw/zinc/36/81/17/235368117.db2.gz RBQKOHAUCYOOEC-CQSZACIVSA-N 1 0 334.420 1.659 20 5 EDBDRO CC[NH+](CC)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000047370055 138120336 /nfs/dbraw/zinc/12/03/36/138120336.db2.gz SRAPIFURMMEVTH-CYBMUJFWSA-N 1 0 335.364 1.584 20 5 EDBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000186943746 236072934 /nfs/dbraw/zinc/07/29/34/236072934.db2.gz ROJJNGUWFCKPNX-LBPRGKRZSA-N 1 0 336.392 1.937 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000187214742 236148011 /nfs/dbraw/zinc/14/80/11/236148011.db2.gz CLNSOICOZGSACA-SJCJKPOMSA-N 1 0 345.403 1.907 20 5 EDBDRO COc1cc(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)ccc1[N+](=O)[O-] ZINC000564084157 306355323 /nfs/dbraw/zinc/35/53/23/306355323.db2.gz QBDCKNVSFCOTTM-CYBMUJFWSA-N 1 0 349.387 1.431 20 5 EDBDRO C[NH+](C)CCn1ccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000173913725 237271569 /nfs/dbraw/zinc/27/15/69/237271569.db2.gz QNZALQUWLDRDNZ-UHFFFAOYSA-N 1 0 346.391 1.717 20 5 EDBDRO CCOc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000564845268 306366959 /nfs/dbraw/zinc/36/69/59/306366959.db2.gz VLZDBQDMINHYGD-ZDUSSCGKSA-N 1 0 338.339 1.480 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+]C[C@@H]1C(F)F ZINC000564986612 306372296 /nfs/dbraw/zinc/37/22/96/306372296.db2.gz ZKVNNTBTYBWMDJ-CYBMUJFWSA-N 1 0 342.346 1.771 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564987081 306372340 /nfs/dbraw/zinc/37/23/40/306372340.db2.gz NRAZDOYNLSKDKM-KRWDZBQOSA-N 1 0 348.403 1.617 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000156620251 283566421 /nfs/dbraw/zinc/56/64/21/283566421.db2.gz CJKCATOWJQNNRD-JTQLQIEISA-N 1 0 333.797 1.621 20 5 EDBDRO Cc1c(C(=O)NC[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000130021563 223114003 /nfs/dbraw/zinc/11/40/03/223114003.db2.gz LBOUWSZDBWLGTL-NSHDSACASA-N 1 0 336.348 1.849 20 5 EDBDRO C[C@@H]1C[NH+](CCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000132377882 223325814 /nfs/dbraw/zinc/32/58/14/223325814.db2.gz SIKRZAFTKBVYHS-VXGBXAGGSA-N 1 0 339.367 1.963 20 5 EDBDRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000566183608 306402505 /nfs/dbraw/zinc/40/25/05/306402505.db2.gz UAZXHKFTSRHGEY-CQSZACIVSA-N 1 0 338.751 1.422 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@@H](C[NH2+]C)C2)cc([N+](=O)[O-])c1 ZINC000566199572 306403414 /nfs/dbraw/zinc/40/34/14/306403414.db2.gz NTBUGCXDQVCFKF-NSHDSACASA-N 1 0 335.360 1.453 20 5 EDBDRO C[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000133144675 223391831 /nfs/dbraw/zinc/39/18/31/223391831.db2.gz IJLPPIJJFUCLPK-GFCCVEGCSA-N 1 0 338.383 1.347 20 5 EDBDRO O=C(NC[C@H]1C[NH2+]CCO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418773750 284001884 /nfs/dbraw/zinc/00/18/84/284001884.db2.gz UMVVALMKRKVJSV-CQSZACIVSA-N 1 0 334.376 1.257 20 5 EDBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000109986051 220007892 /nfs/dbraw/zinc/00/78/92/220007892.db2.gz NJQYFIOOYUQYMW-NSHDSACASA-N 1 0 346.387 1.896 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000110006944 220008709 /nfs/dbraw/zinc/00/87/09/220008709.db2.gz JQALXGZFCCTGGW-UHFFFAOYSA-N 1 0 344.375 1.343 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)NC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000193249287 138964764 /nfs/dbraw/zinc/96/47/64/138964764.db2.gz WLKFEVIMNFXISQ-UHFFFAOYSA-N 1 0 347.368 1.291 20 5 EDBDRO O=Cc1ccc(OCC(=O)NCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000171912324 227358048 /nfs/dbraw/zinc/35/80/48/227358048.db2.gz DLQCTPMOWXCANB-UHFFFAOYSA-N 1 0 349.387 1.778 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000236984258 139037215 /nfs/dbraw/zinc/03/72/15/139037215.db2.gz KHCXXGMBHSWZSJ-OCCSQVGLSA-N 1 0 341.433 1.953 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000237205636 139044358 /nfs/dbraw/zinc/04/43/58/139044358.db2.gz JIKMSVOUYYGUNQ-LLVKDONJSA-N 1 0 343.405 1.271 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000237213613 139044679 /nfs/dbraw/zinc/04/46/79/139044679.db2.gz HUCQFBZAFMNKLW-LBPRGKRZSA-N 1 0 327.406 1.442 20 5 EDBDRO COc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000237230306 139045252 /nfs/dbraw/zinc/04/52/52/139045252.db2.gz ZDHJPQMNDLMSBM-PWSUYJOCSA-N 1 0 343.405 1.399 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000237510942 139053008 /nfs/dbraw/zinc/05/30/08/139053008.db2.gz GOOLOHSDZKECTA-QWHCGFSZSA-N 1 0 343.387 1.980 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000237791980 139060471 /nfs/dbraw/zinc/06/04/71/139060471.db2.gz MXCIXZNMDDPHNT-YPMHNXCESA-N 1 0 327.406 1.699 20 5 EDBDRO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237932722 139064131 /nfs/dbraw/zinc/06/41/31/139064131.db2.gz AIECKIHHMXDVEN-INIZCTEOSA-N 1 0 344.415 1.633 20 5 EDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000237990869 139065976 /nfs/dbraw/zinc/06/59/76/139065976.db2.gz WXFYJJHDAYACTP-OLZOCXBDSA-N 1 0 344.375 1.423 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCn2ccnc2C1 ZINC000567711885 306460197 /nfs/dbraw/zinc/46/01/97/306460197.db2.gz UHZGHBJCCKGGOE-STQMWFEESA-N 1 0 332.360 1.136 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000415297908 304188128 /nfs/dbraw/zinc/18/81/28/304188128.db2.gz OSLPEWNEJJYPPD-UHFFFAOYSA-N 1 0 335.408 1.628 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246498293 139110864 /nfs/dbraw/zinc/11/08/64/139110864.db2.gz XQRJGEAYPQWPDB-STQMWFEESA-N 1 0 341.433 1.946 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]C(C1CC1)C1CC1 ZINC000090015502 217909565 /nfs/dbraw/zinc/90/95/65/217909565.db2.gz ACZPJNFJZCNSEP-UHFFFAOYSA-N 1 0 339.417 1.651 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000248649607 139170189 /nfs/dbraw/zinc/17/01/89/139170189.db2.gz UNDKXPLELPTYJV-WCFLWFBJSA-N 1 0 325.390 1.261 20 5 EDBDRO COCC[N@H+](CCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000093005699 218184876 /nfs/dbraw/zinc/18/48/76/218184876.db2.gz OEDGBIZFOHLYGB-UHFFFAOYSA-N 1 0 333.182 1.798 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1[N+](=O)[O-] ZINC000249585136 139196000 /nfs/dbraw/zinc/19/60/00/139196000.db2.gz ODTKOTIWJQRERU-AVGNSLFASA-N 1 0 339.417 1.569 20 5 EDBDRO COc1cc(C(=O)N(C)CC(C)(C)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000261629341 139212649 /nfs/dbraw/zinc/21/26/49/139212649.db2.gz BRNMIYJNVSTXJI-UHFFFAOYSA-N 1 0 325.365 1.669 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261679102 139216845 /nfs/dbraw/zinc/21/68/45/139216845.db2.gz HVERVDTXULRHSZ-NSHDSACASA-N 1 0 343.405 1.353 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@](C)(C[NH3+])C1 ZINC000261745244 139222533 /nfs/dbraw/zinc/22/25/33/139222533.db2.gz PQFZSHAJVCUWEK-MEDUHNTESA-N 1 0 336.392 1.601 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000337637377 284810000 /nfs/dbraw/zinc/81/00/00/284810000.db2.gz CSXBLOVJLWYLIO-GFCCVEGCSA-N 1 0 329.422 1.912 20 5 EDBDRO CCOc1cc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000261804234 139227527 /nfs/dbraw/zinc/22/75/27/139227527.db2.gz MAEBXVCRMDAVNG-GHMZBOCLSA-N 1 0 337.376 1.811 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000261938664 139238701 /nfs/dbraw/zinc/23/87/01/139238701.db2.gz UJIMXGKBFVAHDG-AWEZNQCLSA-N 1 0 341.433 1.960 20 5 EDBDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C[NH2+]1 ZINC000415568394 304227256 /nfs/dbraw/zinc/22/72/56/304227256.db2.gz QUMSVEDLIVRXJI-BDAKNGLRSA-N 1 0 340.767 1.396 20 5 EDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415518998 250983843 /nfs/dbraw/zinc/98/38/43/250983843.db2.gz JEYTUTBAVMMNEX-DTWKUNHWSA-N 1 0 340.767 1.382 20 5 EDBDRO O=C(CN1CC[NH2+]C[C@H]1c1cccnc1)Nc1ccccc1[N+](=O)[O-] ZINC000262285114 139266553 /nfs/dbraw/zinc/26/65/53/139266553.db2.gz VHUGZEHHUVEDTQ-INIZCTEOSA-N 1 0 341.371 1.575 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262418814 139277810 /nfs/dbraw/zinc/27/78/10/139277810.db2.gz RNIORFDMCLTOEB-CQSZACIVSA-N 1 0 329.360 1.103 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)N2CCCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000417853360 251299108 /nfs/dbraw/zinc/29/91/08/251299108.db2.gz OXMKNSHVYCZCNU-TZMCWYRMSA-N 1 0 336.392 1.723 20 5 EDBDRO CCC([NH3+])(CC)CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418427159 251367877 /nfs/dbraw/zinc/36/78/77/251367877.db2.gz AROMSEKSWMJNSM-UHFFFAOYSA-N 1 0 349.435 1.944 20 5 EDBDRO Cn1cc(C(=O)N2CC[C@H](C[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262534080 139284724 /nfs/dbraw/zinc/28/47/24/139284724.db2.gz LYOPXJFXWQKOMR-LLVKDONJSA-N 1 0 329.360 1.416 20 5 EDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262596114 139289138 /nfs/dbraw/zinc/28/91/38/139289138.db2.gz UZIOENVFMRATJS-LBPRGKRZSA-N 1 0 329.360 1.510 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@@H]1Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000420247811 251656066 /nfs/dbraw/zinc/65/60/66/251656066.db2.gz VSKDPUHFRQTYAP-FZMZJTMJSA-N 1 0 343.387 1.969 20 5 EDBDRO C[C@H]1CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H](C)C[NH2+]1 ZINC000420403320 251702720 /nfs/dbraw/zinc/70/27/20/251702720.db2.gz RDDNUBJIQNHKIW-RYUDHWBXSA-N 1 0 334.376 1.575 20 5 EDBDRO C[C@]1(CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000415589465 304234192 /nfs/dbraw/zinc/23/41/92/304234192.db2.gz ZAJHGMPTHDZREH-HNNXBMFYSA-N 1 0 338.339 1.178 20 5 EDBDRO CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415594611 304235220 /nfs/dbraw/zinc/23/52/20/304235220.db2.gz VXQOMGMDFBJPFV-NSHDSACASA-N 1 0 348.403 1.557 20 5 EDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000152895174 224028296 /nfs/dbraw/zinc/02/82/96/224028296.db2.gz FPFSMQYJAQILBI-MRXNPFEDSA-N 1 0 338.408 1.216 20 5 EDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000153013193 224046229 /nfs/dbraw/zinc/04/62/29/224046229.db2.gz NNUSMUVGVRWWFV-QGZVFWFLSA-N 1 0 337.420 1.935 20 5 EDBDRO C[NH2+]CCCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000424033953 252121976 /nfs/dbraw/zinc/12/19/76/252121976.db2.gz PWWIUYIGJLRZSO-UHFFFAOYSA-N 1 0 344.209 1.968 20 5 EDBDRO CN1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000424326007 252195789 /nfs/dbraw/zinc/19/57/89/252195789.db2.gz MYWPYDHVMIFOSL-IHRRRGAJSA-N 1 0 335.408 1.733 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000415610512 304238348 /nfs/dbraw/zinc/23/83/48/304238348.db2.gz XFZKITLFFLYUAU-WCFLWFBJSA-N 1 0 332.360 1.037 20 5 EDBDRO Cn1cc([C@@H]2CN(c3ncnc4sc([N+](=O)[O-])cc43)C[C@H]2[NH3+])cn1 ZINC000424414575 252217693 /nfs/dbraw/zinc/21/76/93/252217693.db2.gz QQZDPYLRGCUOLS-WDEREUQCSA-N 1 0 345.388 1.264 20 5 EDBDRO CO[C@@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000415631201 304242843 /nfs/dbraw/zinc/24/28/43/304242843.db2.gz MGUCQGABVQSHSN-QWHCGFSZSA-N 1 0 326.328 1.704 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415641304 304244984 /nfs/dbraw/zinc/24/49/84/304244984.db2.gz FVNQHIVDIZMQKB-RYUDHWBXSA-N 1 0 334.376 1.482 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H](O)C2CCOCC2)n1 ZINC000570126905 306530694 /nfs/dbraw/zinc/53/06/94/306530694.db2.gz NWJVBVGEQNQRHS-KFWWJZLASA-N 1 0 338.408 1.652 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH3+])C2)cc1SC ZINC000178531002 533133009 /nfs/dbraw/zinc/13/30/09/533133009.db2.gz FARATEQUKAKJLX-VIFPVBQESA-N 1 0 325.390 1.746 20 5 EDBDRO CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[N@H+](C)C1 ZINC000153870657 224169315 /nfs/dbraw/zinc/16/93/15/224169315.db2.gz AYNNOCMFNVIXON-HNNXBMFYSA-N 1 0 343.387 1.947 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415779350 304268797 /nfs/dbraw/zinc/26/87/97/304268797.db2.gz KVXNQHDOLBLFPO-OCCSQVGLSA-N 1 0 346.387 1.306 20 5 EDBDRO CC(C)[NH+]1CCC(O)(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000492162035 255160087 /nfs/dbraw/zinc/16/00/87/255160087.db2.gz GWAWRPDNMKUMBS-FPLPWBNLSA-N 1 0 347.415 1.960 20 5 EDBDRO COc1cc(C[NH2+][C@H]2CCn3ccnc3C2)c([N+](=O)[O-])cc1OC ZINC000494433739 255250744 /nfs/dbraw/zinc/25/07/44/255250744.db2.gz DXWVOOSYDPQITG-LBPRGKRZSA-N 1 0 332.360 1.913 20 5 EDBDRO Cc1nn(CCC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000119352697 221300935 /nfs/dbraw/zinc/30/09/35/221300935.db2.gz QADIDHVJGLTRMW-LSDHHAIUSA-N 1 0 349.435 1.741 20 5 EDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000119674624 221373573 /nfs/dbraw/zinc/37/35/73/221373573.db2.gz CAQYHWZDMQHAQZ-AWEZNQCLSA-N 1 0 331.376 1.977 20 5 EDBDRO COC(=O)CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(C)C ZINC000159784841 533414452 /nfs/dbraw/zinc/41/44/52/533414452.db2.gz OPCUXJLYNLCLQK-UHFFFAOYSA-N 1 0 325.365 1.278 20 5 EDBDRO COc1cc(C(=O)NCC(C)(C)[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000159993047 533530902 /nfs/dbraw/zinc/53/09/02/533530902.db2.gz IKKFQMMAAKSNOL-UHFFFAOYSA-N 1 0 333.291 1.672 20 5 EDBDRO C[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H]1[NH+](C)C ZINC000266195834 139520848 /nfs/dbraw/zinc/52/08/48/139520848.db2.gz NRLUVSWXARKJBW-WBMJQRKESA-N 1 0 330.388 1.958 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368318351 296499599 /nfs/dbraw/zinc/49/95/99/296499599.db2.gz RIASALMBRBPTLE-GFCCVEGCSA-N 1 0 345.808 1.669 20 5 EDBDRO C[N@H+](CCCO)C1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000270356029 140085027 /nfs/dbraw/zinc/08/50/27/140085027.db2.gz HOIHDSDYYVAKLT-UHFFFAOYSA-N 1 0 336.392 1.096 20 5 EDBDRO COc1ccc(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000270497550 140111702 /nfs/dbraw/zinc/11/17/02/140111702.db2.gz PFMYAGYJNCKDIT-TZMCWYRMSA-N 1 0 339.417 1.721 20 5 EDBDRO [NH3+]CCCOC1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000317286958 140656969 /nfs/dbraw/zinc/65/69/69/140656969.db2.gz VOCBMOZFCOKUMP-UHFFFAOYSA-N 1 0 325.394 1.638 20 5 EDBDRO C[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1[NH+](C)C ZINC000331534828 141044462 /nfs/dbraw/zinc/04/44/62/141044462.db2.gz GVNDVXMKPVQJAH-KCXAZCMYSA-N 1 0 332.404 1.582 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000332136628 141129373 /nfs/dbraw/zinc/12/93/73/141129373.db2.gz JMUXGQNXGRASKV-CVEARBPZSA-N 1 0 348.403 1.247 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H]1CC[NH2+]C1 ZINC000342716054 142748813 /nfs/dbraw/zinc/74/88/13/142748813.db2.gz FFSSWCXJPCWHMP-SECBINFHSA-N 1 0 342.193 1.626 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1[N+](=O)[O-] ZINC000374078795 292086834 /nfs/dbraw/zinc/08/68/34/292086834.db2.gz BVZCWUWEJSPTQS-OLZOCXBDSA-N 1 0 339.417 1.584 20 5 EDBDRO O=C(NC1CC1)[C@@H](O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000343435485 142844599 /nfs/dbraw/zinc/84/45/99/142844599.db2.gz HBUPAQWMXDEVNQ-INIZCTEOSA-N 1 0 333.388 1.446 20 5 EDBDRO Cn1c(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)ccc1[N+](=O)[O-] ZINC000347325795 143308922 /nfs/dbraw/zinc/30/89/22/143308922.db2.gz SHTONLUXEUNOKS-ABAIWWIYSA-N 1 0 333.348 1.909 20 5 EDBDRO Cc1cccc2c1OC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000572954313 306605052 /nfs/dbraw/zinc/60/50/52/306605052.db2.gz PIXMQQGVPWPLDD-ZFWWWQNUSA-N 1 0 332.360 1.054 20 5 EDBDRO COc1cc(CCNC(=O)N[C@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000416891944 304353491 /nfs/dbraw/zinc/35/34/91/304353491.db2.gz ACYSBMRWSHXUTE-NXEZZACHSA-N 1 0 340.380 1.189 20 5 EDBDRO CC(C)[C@](C)(CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000352895704 149206978 /nfs/dbraw/zinc/20/69/78/149206978.db2.gz WCUHWTWGHNLQHY-AWEZNQCLSA-N 1 0 330.406 1.365 20 5 EDBDRO C[C@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000353051901 149267898 /nfs/dbraw/zinc/26/78/98/149267898.db2.gz WZCLYKFRNPADHQ-LRDDRELGSA-N 1 0 348.403 1.375 20 5 EDBDRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000354973303 150060575 /nfs/dbraw/zinc/06/05/75/150060575.db2.gz JGPUXOWLVZXZIZ-ZDUSSCGKSA-N 1 0 343.387 1.804 20 5 EDBDRO CN(C)C(=O)NCC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000355028070 150081036 /nfs/dbraw/zinc/08/10/36/150081036.db2.gz FUNLTVCFNJTAQQ-UHFFFAOYSA-N 1 0 337.380 1.126 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355386482 150247142 /nfs/dbraw/zinc/24/71/42/150247142.db2.gz RDYPOMZPZIISTM-HZPDHXFCSA-N 1 0 333.388 1.459 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000356542475 150684632 /nfs/dbraw/zinc/68/46/32/150684632.db2.gz NZWNNNMJDSXJSK-QGZVFWFLSA-N 1 0 347.415 1.851 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357093791 150922066 /nfs/dbraw/zinc/92/20/66/150922066.db2.gz YSNBPUBBPCMECY-RYUDHWBXSA-N 1 0 334.376 1.083 20 5 EDBDRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000370104517 155325394 /nfs/dbraw/zinc/32/53/94/155325394.db2.gz JEJSWYWMMJUJRA-BZUAXINKSA-N 1 0 333.388 1.059 20 5 EDBDRO O=C(CN1CC[C@]2(CC[NH2+]C2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000360560964 152095588 /nfs/dbraw/zinc/09/55/88/152095588.db2.gz HWEHNHWJVVTYQH-KRWDZBQOSA-N 1 0 330.388 1.169 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000360664796 152144749 /nfs/dbraw/zinc/14/47/49/152144749.db2.gz IHCDXGROVGIOKR-RYUDHWBXSA-N 1 0 327.406 1.664 20 5 EDBDRO C[C@@H]1C[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000360664172 152144958 /nfs/dbraw/zinc/14/49/58/152144958.db2.gz GECMQQXPVWPRHM-DGCLKSJQSA-N 1 0 327.406 1.497 20 5 EDBDRO O=C(C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)NCC(F)F ZINC000360922440 152252801 /nfs/dbraw/zinc/25/28/01/152252801.db2.gz QBGBFLVCEGMICY-NXEZZACHSA-N 1 0 331.323 1.246 20 5 EDBDRO CNc1c(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000360940205 152258704 /nfs/dbraw/zinc/25/87/04/152258704.db2.gz CNIQKRZFWORZEV-STQMWFEESA-N 1 0 338.433 1.754 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2NC)CC1 ZINC000361212439 152336336 /nfs/dbraw/zinc/33/63/36/152336336.db2.gz NMTMGUNNJYMUNY-ZDUSSCGKSA-N 1 0 349.435 1.392 20 5 EDBDRO CC1(C)[C@H](O)CC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000361405752 152384513 /nfs/dbraw/zinc/38/45/13/152384513.db2.gz YPVPTQPXUASKCB-CQSZACIVSA-N 1 0 335.360 1.738 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000370152931 155351030 /nfs/dbraw/zinc/35/10/30/155351030.db2.gz WNJCHHXTFIPLFP-KMFMINBZSA-N 1 0 335.404 1.361 20 5 EDBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000361659225 152460231 /nfs/dbraw/zinc/46/02/31/152460231.db2.gz XXSBCYMZTRIKNN-NWDGAFQWSA-N 1 0 334.332 1.860 20 5 EDBDRO CN(CCn1ccc([N+](=O)[O-])n1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363593395 153008895 /nfs/dbraw/zinc/00/88/95/153008895.db2.gz NMCMVTTWHRIPDO-UHFFFAOYSA-N 1 0 337.424 1.367 20 5 EDBDRO Cc1nc(N[C@H]2CC[N@H+](CCN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000363887642 153085954 /nfs/dbraw/zinc/08/59/54/153085954.db2.gz GUSOMOLKMOAIDK-AWEZNQCLSA-N 1 0 335.408 1.117 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2nc(CN3C[C@H](O)C[C@H]3CO)cs2)c1 ZINC000364325868 153206332 /nfs/dbraw/zinc/20/63/32/153206332.db2.gz SAQGYOJPRXNJAD-UONOGXRCSA-N 1 0 335.385 1.646 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000364914370 153367440 /nfs/dbraw/zinc/36/74/40/153367440.db2.gz IXVBHENVMLLOTQ-RLCCDNCMSA-N 1 0 348.403 1.501 20 5 EDBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(F)c2F)CC1 ZINC000364931786 153374502 /nfs/dbraw/zinc/37/45/02/153374502.db2.gz DIEKSWGJPJDLRM-JTQLQIEISA-N 1 0 343.330 1.402 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000272374649 292295830 /nfs/dbraw/zinc/29/58/30/292295830.db2.gz BBBSRYUIWMUJFJ-NSHDSACASA-N 1 0 332.360 1.638 20 5 EDBDRO O=C(CC[NH2+][C@@H]1CCC(=O)NC12CCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000367166363 154027726 /nfs/dbraw/zinc/02/77/26/154027726.db2.gz ZKOTWLFCWCUATO-CQSZACIVSA-N 1 0 346.387 1.714 20 5 EDBDRO COc1cc(C[NH2+][C@@H]2CCN(c3ccn(C)n3)C2)c([N+](=O)[O-])cc1O ZINC000367701821 154234791 /nfs/dbraw/zinc/23/47/91/154234791.db2.gz UEHSQHSFVNSYCW-GFCCVEGCSA-N 1 0 347.375 1.411 20 5 EDBDRO C[C@@H]1OCC[C@]12C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000369414792 155021447 /nfs/dbraw/zinc/02/14/47/155021447.db2.gz XZYKHHIZTHAGQH-GUYCJALGSA-N 1 0 349.387 1.803 20 5 EDBDRO O=C(N[C@@H]1CC[NH2+]C1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000372023146 156213720 /nfs/dbraw/zinc/21/37/20/156213720.db2.gz HYFBLLUVFPBQAJ-UKPHBRMFSA-N 1 0 344.415 1.604 20 5 EDBDRO O=C([C@H]1CCCCC[NH2+]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000372411098 156377647 /nfs/dbraw/zinc/37/76/47/156377647.db2.gz DSKBAWFKFHAROP-GXTWGEPZSA-N 1 0 333.392 1.535 20 5 EDBDRO O=C(CC[NH+]1CCC2(CNC(=O)C2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000374068910 157129790 /nfs/dbraw/zinc/12/97/90/157129790.db2.gz XBLKFAWANRPJKZ-UHFFFAOYSA-N 1 0 346.387 1.526 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc([N+](=O)[O-])c1F ZINC000378016080 158057174 /nfs/dbraw/zinc/05/71/74/158057174.db2.gz PNYKHPDTHPESFU-MNOVXSKESA-N 1 0 343.380 1.272 20 5 EDBDRO C[NH+](C)CCN1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000378076563 158072470 /nfs/dbraw/zinc/07/24/70/158072470.db2.gz OCGVVDJGWCUCFA-UHFFFAOYSA-N 1 0 348.447 1.623 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(Cc3cccnc3)CC2)c1 ZINC000378403941 158164440 /nfs/dbraw/zinc/16/44/40/158164440.db2.gz APKDHNXOQVSYJF-QGZVFWFLSA-N 1 0 345.403 1.502 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCC[NH+]1CCCC1 ZINC000066067631 287242846 /nfs/dbraw/zinc/24/28/46/287242846.db2.gz KDZUTUWQZOZUQH-ZDUSSCGKSA-N 1 0 348.403 1.315 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000126692334 287426287 /nfs/dbraw/zinc/42/62/87/287426287.db2.gz TXUVCXLTKVWNEP-GFCCVEGCSA-N 1 0 333.348 1.338 20 5 EDBDRO CC[NH+](CC)CCCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000122708057 222142203 /nfs/dbraw/zinc/14/22/03/222142203.db2.gz GEKZOZIENKKAAL-UHFFFAOYSA-N 1 0 335.451 1.975 20 5 EDBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[N@H+](C)C1CC1 ZINC000276138383 273151685 /nfs/dbraw/zinc/15/16/85/273151685.db2.gz BZMXDXIUGMZIDH-SNVBAGLBSA-N 1 0 327.406 1.893 20 5 EDBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000238089297 273014340 /nfs/dbraw/zinc/01/43/40/273014340.db2.gz JDPRACXDDGSIBU-LBPRGKRZSA-N 1 0 329.360 1.591 20 5 EDBDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000273477244 268047822 /nfs/dbraw/zinc/04/78/22/268047822.db2.gz PTJJLDSOFIUBRE-GFCCVEGCSA-N 1 0 340.355 1.702 20 5 EDBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273625132 268067578 /nfs/dbraw/zinc/06/75/78/268067578.db2.gz PELXJOBXJFANHU-KBPBESRZSA-N 1 0 334.424 1.380 20 5 EDBDRO O=[N+]([O-])c1cnc(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)nc1 ZINC000273719499 268077311 /nfs/dbraw/zinc/07/73/11/268077311.db2.gz GLNRCZBEIHLQJH-ZBFHGGJFSA-N 1 0 343.387 1.680 20 5 EDBDRO CCCN(CC[NH+](CC)CC)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000274034880 268100444 /nfs/dbraw/zinc/10/04/44/268100444.db2.gz AEVZEZMQFOSEJT-UHFFFAOYSA-N 1 0 340.428 1.555 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1([NH+](C)C)CCC1 ZINC000275479901 268348775 /nfs/dbraw/zinc/34/87/75/268348775.db2.gz NKOIEYUWEROGEI-UHFFFAOYSA-N 1 0 327.406 1.666 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000275495486 268351258 /nfs/dbraw/zinc/35/12/58/268351258.db2.gz BUKTWNFFJGUIFL-AWEZNQCLSA-N 1 0 330.392 1.682 20 5 EDBDRO COCCO[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000275508084 268353041 /nfs/dbraw/zinc/35/30/41/268353041.db2.gz HQZDTIJSAVDULG-UONOGXRCSA-N 1 0 340.376 1.072 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@H](C[NH+]4CCOCC4)C3)nc2c1 ZINC000277983846 268604080 /nfs/dbraw/zinc/60/40/80/268604080.db2.gz YSMSIGCFMWCGHE-GFCCVEGCSA-N 1 0 331.376 1.630 20 5 EDBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000273945752 273061126 /nfs/dbraw/zinc/06/11/26/273061126.db2.gz DULKHHILEANGRH-NEPJUHHUSA-N 1 0 337.376 1.947 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000275760872 273125881 /nfs/dbraw/zinc/12/58/81/273125881.db2.gz OSOWQMQAQCYANX-LBPRGKRZSA-N 1 0 338.364 1.398 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NCC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000275862230 273131647 /nfs/dbraw/zinc/13/16/47/273131647.db2.gz JCYQDZUBLFKIER-UHFFFAOYSA-N 1 0 348.403 1.234 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032762872 272909479 /nfs/dbraw/zinc/90/94/79/272909479.db2.gz GGINKCOUNAAAFY-CYBMUJFWSA-N 1 0 349.416 1.806 20 5 EDBDRO CC[C@H](O)C[NH+]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000106397724 272920805 /nfs/dbraw/zinc/92/08/05/272920805.db2.gz NAIORQXTPXMFQS-MOEXGYKKSA-N 1 0 333.388 1.523 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000277135268 273182725 /nfs/dbraw/zinc/18/27/25/273182725.db2.gz ZEUJAALYDKNANT-GXTWGEPZSA-N 1 0 341.433 1.782 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000277291298 273188108 /nfs/dbraw/zinc/18/81/08/273188108.db2.gz ZOFKKPLUULZBNK-NSHDSACASA-N 1 0 342.421 1.163 20 5 EDBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])s2)CCCO1 ZINC000277520845 273204050 /nfs/dbraw/zinc/20/40/50/273204050.db2.gz LAHQZIDBDOJYJX-LLVKDONJSA-N 1 0 327.406 1.887 20 5 EDBDRO Cc1c(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000278518331 273265489 /nfs/dbraw/zinc/26/54/89/273265489.db2.gz CFYDKLJEHMXBGY-NEPJUHHUSA-N 1 0 336.392 1.822 20 5 EDBDRO CC(C)(O)C[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347401993 273507877 /nfs/dbraw/zinc/50/78/77/273507877.db2.gz FKLWDFAGBILMLQ-UHFFFAOYSA-N 1 0 331.376 1.431 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)[C@H]2C1 ZINC000284462733 274211023 /nfs/dbraw/zinc/21/10/23/274211023.db2.gz AOHMWNSZYQUFME-HOTGVXAUSA-N 1 0 349.387 1.366 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000372918401 274666565 /nfs/dbraw/zinc/66/65/65/274666565.db2.gz MLBSJXSSRGBATH-CMPLNLGQSA-N 1 0 334.332 1.635 20 5 EDBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCC[N@@H+](CCO)CC1 ZINC000071349754 275032978 /nfs/dbraw/zinc/03/29/78/275032978.db2.gz CWSYLLZZTCDUBU-UHFFFAOYSA-N 1 0 345.197 1.257 20 5 EDBDRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000345893135 275620471 /nfs/dbraw/zinc/62/04/71/275620471.db2.gz VSEVYCLYQSHMHV-UHFFFAOYSA-N 1 0 338.412 1.299 20 5 EDBDRO CC[NH+](CC)C[C@H](C)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000352385742 276108967 /nfs/dbraw/zinc/10/89/67/276108967.db2.gz MJWGFBQRMFINLH-JTQLQIEISA-N 1 0 330.410 1.384 20 5 EDBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@@H]1CC[NH2+]C1 ZINC000269144481 276745737 /nfs/dbraw/zinc/74/57/37/276745737.db2.gz BOMJQDLLDZWUTR-MRVPVSSYSA-N 1 0 346.156 1.930 20 5 EDBDRO C[N@@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H](c2ccccc2)C1 ZINC000183086832 277106831 /nfs/dbraw/zinc/10/68/31/277106831.db2.gz WZFPJGMJJDXBDD-KRWDZBQOSA-N 1 0 342.399 1.745 20 5 EDBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000272049410 277125172 /nfs/dbraw/zinc/12/51/72/277125172.db2.gz QCQZAKZOVCTBPN-CJNGLKHVSA-N 1 0 337.376 1.468 20 5 EDBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000286569557 288036667 /nfs/dbraw/zinc/03/66/67/288036667.db2.gz DXNLXPAMLDLJMZ-SWLSCSKDSA-N 1 0 339.417 1.842 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347243929 279312569 /nfs/dbraw/zinc/31/25/69/279312569.db2.gz WOEVZOGXVRIXLM-LLVKDONJSA-N 1 0 339.371 1.491 20 5 EDBDRO C[N@@H+]1CC[C@]2(CCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000292110042 289263596 /nfs/dbraw/zinc/26/35/96/289263596.db2.gz IXRKXVGVRPVWLG-SFHVURJKSA-N 1 0 344.415 1.512 20 5 EDBDRO CN(C(=O)CN1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000292164594 289278216 /nfs/dbraw/zinc/27/82/16/289278216.db2.gz OYUPLISAMHNGLR-QGZVFWFLSA-N 1 0 332.404 1.585 20 5 EDBDRO C[N@@H+]1CC[C@]2(CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292166169 289278827 /nfs/dbraw/zinc/27/88/27/289278827.db2.gz PAHOXYHWVKIIAL-PBHICJAKSA-N 1 0 335.404 1.362 20 5 EDBDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(=O)NCCF ZINC000337545559 290044679 /nfs/dbraw/zinc/04/46/79/290044679.db2.gz LLVHJNIAXKLYGT-SDDRHHMPSA-N 1 0 327.360 1.339 20 5 EDBDRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000097092986 290389488 /nfs/dbraw/zinc/38/94/88/290389488.db2.gz WJBIXBBDGPIIND-ZDUSSCGKSA-N 1 0 341.433 1.889 20 5 EDBDRO [NH3+]CCNC(=O)[C@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000261850237 295234695 /nfs/dbraw/zinc/23/46/95/295234695.db2.gz DJQPTVJNJRWXTB-JTQLQIEISA-N 1 0 326.784 1.540 20 5 EDBDRO NS(=O)(=O)c1cccc(NC[C@@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420284308 295304947 /nfs/dbraw/zinc/30/49/47/295304947.db2.gz OKXRIASTVDTKKL-NXEZZACHSA-N 1 0 328.394 1.172 20 5 EDBDRO O=C(NCC1=CC[NH2+]CC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418544912 304510920 /nfs/dbraw/zinc/51/09/20/304510920.db2.gz VJCZBQCJUXPOTI-UHFFFAOYSA-N 1 0 332.360 1.419 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418552180 304512236 /nfs/dbraw/zinc/51/22/36/304512236.db2.gz BNYZDINIMBVVHI-IAQYHMDHSA-N 1 0 334.376 1.365 20 5 EDBDRO CCN(CC)S(=O)(=O)c1ccc(N(C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000420272337 304741385 /nfs/dbraw/zinc/74/13/85/304741385.db2.gz CFIOSEZLZQFGGU-UHFFFAOYSA-N 1 0 330.410 1.020 20 5 EDBDRO CN(CC(C)(C)C[NH3+])S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420447352 304759407 /nfs/dbraw/zinc/75/94/07/304759407.db2.gz ISTMNDKLZHZNBW-UHFFFAOYSA-N 1 0 329.422 1.384 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CC[NH+](C)C)C(C)C ZINC000123416731 302042288 /nfs/dbraw/zinc/04/22/88/302042288.db2.gz VHOQDOMDCQUQTC-UHFFFAOYSA-N 1 0 329.422 1.864 20 5 EDBDRO O=C1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@@H]([C@H]2CCCO2)N1 ZINC000377732889 447326271 /nfs/dbraw/zinc/32/62/71/447326271.db2.gz QBPSGGIKTBIPQM-WDMOLILDSA-N 1 0 325.390 1.572 20 5 EDBDRO C[C@@H](CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C[NH+](C)C ZINC000293719846 303008714 /nfs/dbraw/zinc/00/87/14/303008714.db2.gz JWBUBYKGGLXTNO-NHYWBVRUSA-N 1 0 334.376 1.402 20 5 EDBDRO C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294655390 303132949 /nfs/dbraw/zinc/13/29/49/303132949.db2.gz GZWZICRAJUKORP-YGRLFVJLSA-N 1 0 344.375 1.367 20 5 EDBDRO Cc1cc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)c(N)c([N+](=O)[O-])c1 ZINC000295604245 303240926 /nfs/dbraw/zinc/24/09/26/303240926.db2.gz XJRGTNCYMCPVJD-LBPRGKRZSA-N 1 0 336.392 1.062 20 5 EDBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000377740087 447330405 /nfs/dbraw/zinc/33/04/05/447330405.db2.gz CLOBPTWCYIPYQQ-OLZOCXBDSA-N 1 0 341.371 1.462 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc([N+](=O)[O-])c1 ZINC000423689556 304904355 /nfs/dbraw/zinc/90/43/55/304904355.db2.gz CIYNJFWPHRDZCI-LLVKDONJSA-N 1 0 343.286 1.108 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000423952036 304920686 /nfs/dbraw/zinc/92/06/86/304920686.db2.gz MOBGARZISOJVMO-QXEWZRGKSA-N 1 0 327.768 1.821 20 5 EDBDRO C[C@@H]([NH3+])C1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000428898679 305019593 /nfs/dbraw/zinc/01/95/93/305019593.db2.gz IYQZSJGLZAZKCS-LLVKDONJSA-N 1 0 349.387 1.494 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000429532041 305031511 /nfs/dbraw/zinc/03/15/11/305031511.db2.gz CHZYTLZYXRUWKZ-NSHDSACASA-N 1 0 340.428 1.271 20 5 EDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000429770889 305036689 /nfs/dbraw/zinc/03/66/89/305036689.db2.gz GFJGGWDJTBSSOJ-UONOGXRCSA-N 1 0 334.376 1.062 20 5 EDBDRO CN(CC(=O)NC[C@@H]1[NH2+]CCCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000430720249 305063262 /nfs/dbraw/zinc/06/32/62/305063262.db2.gz MGAOGBQPGRIXMF-HNNXBMFYSA-N 1 0 334.420 1.925 20 5 EDBDRO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000440960199 305214904 /nfs/dbraw/zinc/21/49/04/305214904.db2.gz MHIJPUWJPRSVMN-PWSUYJOCSA-N 1 0 348.359 1.150 20 5 EDBDRO C[C@H]1[C@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC[N@@H+]1C ZINC000445252983 305258396 /nfs/dbraw/zinc/25/83/96/305258396.db2.gz SOLWLKTXEQFIEW-CMPLNLGQSA-N 1 0 346.391 1.753 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CN(C3CC3)CCO2)n1 ZINC000447573909 305282428 /nfs/dbraw/zinc/28/24/28/305282428.db2.gz JOGYPURACDFYBD-OWCLPIDISA-N 1 0 349.435 1.728 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@@H](CO)[C@H]3CCCO3)o2)c1 ZINC000447911432 305288779 /nfs/dbraw/zinc/28/87/79/305288779.db2.gz DZQQDGDISIZIEY-LSDHHAIUSA-N 1 0 347.371 1.922 20 5 EDBDRO O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CCCC[N@H+]3CCO)cc2N1 ZINC000450609723 305330910 /nfs/dbraw/zinc/33/09/10/305330910.db2.gz GCPKISJZAFIOAA-CYBMUJFWSA-N 1 0 348.403 1.738 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000516137342 305733690 /nfs/dbraw/zinc/73/36/90/305733690.db2.gz AXOFRMIUYBYMFG-AWEZNQCLSA-N 1 0 330.388 1.836 20 5 EDBDRO CNc1ccc(C(=O)NCCN2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000530893578 305948908 /nfs/dbraw/zinc/94/89/08/305948908.db2.gz MDAOKQNEUJDILL-UHFFFAOYSA-N 1 0 349.435 1.392 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(Nc2ccccn2)CC1 ZINC000534908225 306009370 /nfs/dbraw/zinc/00/93/70/306009370.db2.gz LCOIJBZTZTVKSH-UHFFFAOYSA-N 1 0 343.387 1.728 20 5 EDBDRO CC1(C)c2ccccc2CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000552678703 306180684 /nfs/dbraw/zinc/18/06/84/306180684.db2.gz ZFFMLYOIXQKWLD-HNNXBMFYSA-N 1 0 330.388 1.946 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000449450861 447373596 /nfs/dbraw/zinc/37/35/96/447373596.db2.gz PGPVIZSWHDSTNF-LLVKDONJSA-N 1 0 340.376 1.786 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000493812656 447401478 /nfs/dbraw/zinc/40/14/78/447401478.db2.gz CCAFGWNUZXWUED-NFAHFFEMSA-N 1 0 345.399 1.822 20 5 EDBDRO CCCCNC(=O)CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664935 441247454 /nfs/dbraw/zinc/24/74/54/441247454.db2.gz WGOGEXPIDDKETQ-CYBMUJFWSA-N 1 0 335.408 1.782 20 5 EDBDRO C[NH+]1CCN(c2ccc(CNc3ncccc3[N+](=O)[O-])cn2)CC1 ZINC000022874800 441286995 /nfs/dbraw/zinc/28/69/95/441286995.db2.gz LCJITDVUEURGOQ-UHFFFAOYSA-N 1 0 328.376 1.749 20 5 EDBDRO CS(=O)(=O)NC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052360351 441448596 /nfs/dbraw/zinc/44/85/96/441448596.db2.gz MXYOHYBIGFLRDV-UHFFFAOYSA-N 1 0 327.406 1.151 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108338628 441447500 /nfs/dbraw/zinc/44/75/00/441447500.db2.gz UGECQEVEBNBRGV-QWHCGFSZSA-N 1 0 348.403 1.171 20 5 EDBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CN1CCOCC1 ZINC000065512326 441448087 /nfs/dbraw/zinc/44/80/87/441448087.db2.gz HFSALNZUZWMZFS-KRWDZBQOSA-N 1 0 337.420 1.498 20 5 EDBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000108784297 441474704 /nfs/dbraw/zinc/47/47/04/441474704.db2.gz HFHUCYMUYURADC-SNVBAGLBSA-N 1 0 334.332 1.717 20 5 EDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000087456799 441491716 /nfs/dbraw/zinc/49/17/16/441491716.db2.gz OWHYECJTCBRDGP-INIZCTEOSA-N 1 0 347.415 1.708 20 5 EDBDRO Nc1cc(N)[nH+]c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)n1 ZINC000031851622 441540567 /nfs/dbraw/zinc/54/05/67/441540567.db2.gz LTGYOIHDGBZSGF-UHFFFAOYSA-N 1 0 345.344 1.892 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C[NH3+])CC(C)C ZINC000109705639 441502664 /nfs/dbraw/zinc/50/26/64/441502664.db2.gz NHYDWPGAXOYSFV-SNVBAGLBSA-N 1 0 331.394 1.255 20 5 EDBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000109706078 441502818 /nfs/dbraw/zinc/50/28/18/441502818.db2.gz JZIDCHAGGQNIDO-UHFFFAOYSA-N 1 0 331.394 1.399 20 5 EDBDRO NC(=O)c1ccc(C[N@H+](CCO)CCc2ccccc2)c([N+](=O)[O-])c1 ZINC000112698466 441555178 /nfs/dbraw/zinc/55/51/78/441555178.db2.gz HBHHANIFPKZAEH-UHFFFAOYSA-N 1 0 343.383 1.731 20 5 EDBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000112917282 441567215 /nfs/dbraw/zinc/56/72/15/441567215.db2.gz ZACVPVSFRZWXBG-LLVKDONJSA-N 1 0 340.449 1.721 20 5 EDBDRO CC[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CC1CC1 ZINC000112983722 441574367 /nfs/dbraw/zinc/57/43/67/441574367.db2.gz QDDGJHWVKGKAFP-UHFFFAOYSA-N 1 0 346.431 1.975 20 5 EDBDRO C[C@H](O)[C@H]1CCC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000089928077 441597292 /nfs/dbraw/zinc/59/72/92/441597292.db2.gz GSOOISFFSWQJLU-STQMWFEESA-N 1 0 349.387 1.986 20 5 EDBDRO C[C@H](CC1CC1)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015544 441614594 /nfs/dbraw/zinc/61/45/94/441614594.db2.gz UVSJLRNJFKMVLQ-LLVKDONJSA-N 1 0 327.406 1.651 20 5 EDBDRO Cc1ccc([C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000067267045 441621686 /nfs/dbraw/zinc/62/16/86/441621686.db2.gz RWGGBYUNVSGZKU-INIZCTEOSA-N 1 0 345.403 1.909 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000114210434 441642000 /nfs/dbraw/zinc/64/20/00/441642000.db2.gz OHUVOQBHMBZMTF-JTQLQIEISA-N 1 0 347.824 1.820 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000041423111 441653282 /nfs/dbraw/zinc/65/32/82/441653282.db2.gz IQIJJOGKIBMHHV-UHFFFAOYSA-N 1 0 325.365 1.302 20 5 EDBDRO CC[NH+]1CCN(CCCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000041443879 441655352 /nfs/dbraw/zinc/65/53/52/441655352.db2.gz ZNOCFFYQVZVZTL-UHFFFAOYSA-N 1 0 334.420 1.661 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000068227646 441756826 /nfs/dbraw/zinc/75/68/26/441756826.db2.gz RWISEDBLYKSMEX-FRRDWIJNSA-N 1 0 337.424 1.582 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000137499209 441773227 /nfs/dbraw/zinc/77/32/27/441773227.db2.gz OTSPEUCQOWLGEX-GZMMTYOYSA-N 1 0 327.768 1.869 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000068342032 441780317 /nfs/dbraw/zinc/78/03/17/441780317.db2.gz MKQMJPLKUDRUCJ-ZDUSSCGKSA-N 1 0 335.360 1.548 20 5 EDBDRO C[N@@H+]1CCC[C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000068722749 441842194 /nfs/dbraw/zinc/84/21/94/441842194.db2.gz GRAHUYGWBOSPGV-LLVKDONJSA-N 1 0 327.406 1.752 20 5 EDBDRO CCc1ccc(C(=O)NCCN2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000174229210 441905535 /nfs/dbraw/zinc/90/55/35/441905535.db2.gz UUWGDDKWSUHHKP-UHFFFAOYSA-N 1 0 334.420 1.525 20 5 EDBDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000144142507 441879458 /nfs/dbraw/zinc/87/94/58/441879458.db2.gz BKJQDLMIKBXXFU-DZGCQCFKSA-N 1 0 335.404 1.958 20 5 EDBDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000144456833 441883626 /nfs/dbraw/zinc/88/36/26/441883626.db2.gz CLMLPHYBLHBEBO-ZFWWWQNUSA-N 1 0 335.404 1.958 20 5 EDBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000093583157 441890943 /nfs/dbraw/zinc/89/09/43/441890943.db2.gz UIFMXCGZXBDMIS-MQDFFIGUSA-N 1 0 335.404 1.233 20 5 EDBDRO CC(C)OC(=O)C[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000150779688 441949219 /nfs/dbraw/zinc/94/92/19/441949219.db2.gz XXPYFVKKMKXLBL-TZMCWYRMSA-N 1 0 349.387 1.703 20 5 EDBDRO Cc1cnc(NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000078657449 441958927 /nfs/dbraw/zinc/95/89/27/441958927.db2.gz SYOBBOCVNKERTI-CYBMUJFWSA-N 1 0 335.408 1.653 20 5 EDBDRO CC[NH+](CC)CC(=O)N1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078659416 441959065 /nfs/dbraw/zinc/95/90/65/441959065.db2.gz JDJWXRWHABABOQ-UHFFFAOYSA-N 1 0 335.408 1.289 20 5 EDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000161281780 441980428 /nfs/dbraw/zinc/98/04/28/441980428.db2.gz UQAGDTUEQHQVLS-CQSZACIVSA-N 1 0 329.360 1.605 20 5 EDBDRO COCC[N@@H+](Cc1ccc(C)o1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000125450682 442021064 /nfs/dbraw/zinc/02/10/64/442021064.db2.gz WAFBQAOMLYQEBV-CQSZACIVSA-N 1 0 338.364 1.202 20 5 EDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000120403429 442064807 /nfs/dbraw/zinc/06/48/07/442064807.db2.gz SIJAMORFJYCLSI-MWLCHTKSSA-N 1 0 327.768 1.884 20 5 EDBDRO CCc1ccc(C(=O)NCC[NH+]2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000079669603 442075016 /nfs/dbraw/zinc/07/50/16/442075016.db2.gz WJINGNLJFXBVBZ-UHFFFAOYSA-N 1 0 335.404 1.998 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000120495508 442083759 /nfs/dbraw/zinc/08/37/59/442083759.db2.gz XCFJUDJRFQXZFP-OLZOCXBDSA-N 1 0 348.403 1.783 20 5 EDBDRO C[C@@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCOC1 ZINC000162683875 442115155 /nfs/dbraw/zinc/11/51/55/442115155.db2.gz GQGSZCPIIRDNLC-NEPJUHHUSA-N 1 0 335.360 1.907 20 5 EDBDRO CCCC[C@H](C[NH3+])NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000162753088 442119441 /nfs/dbraw/zinc/11/94/41/442119441.db2.gz VJHZHMOUQKBIIT-DGCLKSJQSA-N 1 0 336.392 1.347 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000151826285 442126454 /nfs/dbraw/zinc/12/64/54/442126454.db2.gz KXNSJWVVMSOKAT-NWDGAFQWSA-N 1 0 346.387 1.583 20 5 EDBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000126312403 442098462 /nfs/dbraw/zinc/09/84/62/442098462.db2.gz VURWPEPUWASYSF-CQSZACIVSA-N 1 0 337.424 1.871 20 5 EDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000120585928 442099679 /nfs/dbraw/zinc/09/96/79/442099679.db2.gz TUSZBEBWELTQLP-CQSZACIVSA-N 1 0 332.404 1.921 20 5 EDBDRO C[NH2+]CCCNC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000120968046 442159564 /nfs/dbraw/zinc/15/95/64/442159564.db2.gz RTTDGJROFJTMPW-UHFFFAOYSA-N 1 0 327.406 1.562 20 5 EDBDRO O=C(C[N@@H+](CCCCO)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000152518547 442222159 /nfs/dbraw/zinc/22/21/59/442222159.db2.gz OCJQGRXJXMIFPZ-UHFFFAOYSA-N 1 0 333.388 1.721 20 5 EDBDRO C[C@@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H](C)[NH2+]1 ZINC000153582737 442289846 /nfs/dbraw/zinc/28/98/46/442289846.db2.gz XBHVKVYDPAVFNZ-GHMZBOCLSA-N 1 0 335.360 1.117 20 5 EDBDRO C[NH+](C)Cc1ccc(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1 ZINC000129097681 442301193 /nfs/dbraw/zinc/30/11/93/442301193.db2.gz QPOXNIHFHUJWJE-UHFFFAOYSA-N 1 0 345.403 1.904 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C)(O)CC1 ZINC000177303774 442326395 /nfs/dbraw/zinc/32/63/95/442326395.db2.gz JOBKTEBFZIFMAR-UHFFFAOYSA-N 1 0 337.376 1.779 20 5 EDBDRO C[C@@H](NC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(=O)N(C)C ZINC000130375662 442345307 /nfs/dbraw/zinc/34/53/07/442345307.db2.gz HWXOPXVZESOZOF-GFCCVEGCSA-N 1 0 348.403 1.152 20 5 EDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)c1 ZINC000130947374 442360285 /nfs/dbraw/zinc/36/02/85/442360285.db2.gz UNXAQGJHVBDANF-LBPRGKRZSA-N 1 0 327.406 1.404 20 5 EDBDRO [NH3+]C[C@@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000178545405 442442567 /nfs/dbraw/zinc/44/25/67/442442567.db2.gz GSJDHDZLVRTOAY-AWEZNQCLSA-N 1 0 335.407 1.962 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000156176821 442453215 /nfs/dbraw/zinc/45/32/15/442453215.db2.gz NDELOLRIWKKPJT-QWRGUYRKSA-N 1 0 327.406 1.528 20 5 EDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH+](CC2CCOCC2)CC1 ZINC000172464697 442467520 /nfs/dbraw/zinc/46/75/20/442467520.db2.gz KJOSBGSUSFIQHK-UHFFFAOYSA-N 1 0 347.415 1.708 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000186692472 442593549 /nfs/dbraw/zinc/59/35/49/442593549.db2.gz TVEVMWTZVWRSEQ-XPTSAGLGSA-N 1 0 330.344 1.164 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000192146316 442602525 /nfs/dbraw/zinc/60/25/25/442602525.db2.gz KKAKVUADBXITLR-UHFFFAOYSA-N 1 0 329.422 1.830 20 5 EDBDRO Cc1c([C@H](C)[NH2+]CCS(=O)(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000180466734 442606350 /nfs/dbraw/zinc/60/63/50/442606350.db2.gz DQKXLZFJPALHSN-LBPRGKRZSA-N 1 0 329.422 1.882 20 5 EDBDRO CC1CC[NH+](CC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000136173305 442654251 /nfs/dbraw/zinc/65/42/51/442654251.db2.gz ZGBALPDBOJXHOT-UHFFFAOYSA-N 1 0 346.431 1.975 20 5 EDBDRO Cc1csc(N2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000157786180 442614323 /nfs/dbraw/zinc/61/43/23/442614323.db2.gz VKHAYZWALGUQRC-UHFFFAOYSA-N 1 0 336.421 1.769 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000173242986 442631383 /nfs/dbraw/zinc/63/13/83/442631383.db2.gz SHMHRVXNLWEZJN-GXTWGEPZSA-N 1 0 341.433 1.864 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000192661816 442674356 /nfs/dbraw/zinc/67/43/56/442674356.db2.gz GWPXDSWTZVEYJT-MEDUHNTESA-N 1 0 332.360 1.638 20 5 EDBDRO C[C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C(N)=O)C1 ZINC000187422582 442676169 /nfs/dbraw/zinc/67/61/69/442676169.db2.gz APULXAGVLIGGPV-GWCFXTLKSA-N 1 0 345.359 1.731 20 5 EDBDRO CS(=O)(=O)CCOCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193008049 442704796 /nfs/dbraw/zinc/70/47/96/442704796.db2.gz KXJXXNSYJDMUJW-HNNXBMFYSA-N 1 0 342.417 1.623 20 5 EDBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000192530725 442659170 /nfs/dbraw/zinc/65/91/70/442659170.db2.gz GCQAPXDMBUJEQK-UHFFFAOYSA-N 1 0 347.375 1.507 20 5 EDBDRO CN(CCC[NH+](C)C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000181978006 442724841 /nfs/dbraw/zinc/72/48/41/442724841.db2.gz RTMNGKRVCIHCQD-UHFFFAOYSA-N 1 0 332.360 1.460 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1C ZINC000193414935 442740897 /nfs/dbraw/zinc/74/08/97/442740897.db2.gz VSEQGMXQEDURIG-ZYHUDNBSSA-N 1 0 327.406 1.488 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000193418446 442741119 /nfs/dbraw/zinc/74/11/19/442741119.db2.gz NQVVPNXFIZQKGO-QPUJVOFHSA-N 1 0 347.824 1.833 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2(CO)CCCC2)cc1 ZINC000182208197 442745693 /nfs/dbraw/zinc/74/56/93/442745693.db2.gz PDPLYVXWROKZMY-UHFFFAOYSA-N 1 0 328.390 1.263 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000182235023 442748825 /nfs/dbraw/zinc/74/88/25/442748825.db2.gz GZLHREDIFUHEBZ-NSHDSACASA-N 1 0 335.360 1.737 20 5 EDBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000246624803 442797480 /nfs/dbraw/zinc/79/74/80/442797480.db2.gz KBDBEVWVABDKDU-STQMWFEESA-N 1 0 338.412 1.211 20 5 EDBDRO COc1cccc2c1CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000182666204 442803647 /nfs/dbraw/zinc/80/36/47/442803647.db2.gz BYEZWZUPZUGUAF-CQSZACIVSA-N 1 0 332.360 1.219 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1CC(C)(C)O ZINC000188754055 442804809 /nfs/dbraw/zinc/80/48/09/442804809.db2.gz OLSRIWQIGDUOII-LLVKDONJSA-N 1 0 336.392 1.094 20 5 EDBDRO C[N@H+]1C[C@H]2CN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]2C1 ZINC000193599463 442757952 /nfs/dbraw/zinc/75/79/52/442757952.db2.gz XGWOGYMMWXZHTK-DVOMOZLQSA-N 1 0 330.388 1.194 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000265432957 442771074 /nfs/dbraw/zinc/77/10/74/442771074.db2.gz VZTYTOOEAJJUAW-NSHDSACASA-N 1 0 338.364 1.446 20 5 EDBDRO CC[N@H+](C)CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000182532086 442782963 /nfs/dbraw/zinc/78/29/63/442782963.db2.gz QNKVAXZWBOESQO-UHFFFAOYSA-N 1 0 335.813 1.787 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c1C ZINC000246979361 442825824 /nfs/dbraw/zinc/82/58/24/442825824.db2.gz VUZLCTJLGXLORB-BXUZGUMPSA-N 1 0 341.433 1.960 20 5 EDBDRO COc1cc(CCNC(=O)/C=C/C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000265623466 442850537 /nfs/dbraw/zinc/85/05/37/442850537.db2.gz HVZXPGOPUNVGCF-AATRIKPKSA-N 1 0 337.376 1.389 20 5 EDBDRO C[C@@]1(C(N)=O)CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000248613070 442906516 /nfs/dbraw/zinc/90/65/16/442906516.db2.gz QWNJAMZAVUORTA-CJNGLKHVSA-N 1 0 337.376 1.064 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NCC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000183370122 442925581 /nfs/dbraw/zinc/92/55/81/442925581.db2.gz VVGOZDRYRGAGAW-UHFFFAOYSA-N 1 0 348.403 1.091 20 5 EDBDRO C[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000183476279 442934099 /nfs/dbraw/zinc/93/40/99/442934099.db2.gz ZXEGAGQEKUVXND-ZUZCIYMTSA-N 1 0 327.356 1.266 20 5 EDBDRO COCC[NH+]1CCC(NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000194942464 442970939 /nfs/dbraw/zinc/97/09/39/442970939.db2.gz FJKFLZHVVGKRKH-UHFFFAOYSA-N 1 0 336.392 1.234 20 5 EDBDRO C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1[NH+](C)C ZINC000266146600 443034818 /nfs/dbraw/zinc/03/48/18/443034818.db2.gz GMMGFPOYSQEKAH-IINYFYTJSA-N 1 0 325.340 1.521 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000190161563 443065959 /nfs/dbraw/zinc/06/59/59/443065959.db2.gz UIJDJDXEDNEWOO-UHFFFAOYSA-N 1 0 341.433 1.926 20 5 EDBDRO CCc1ccc([C@H](COC)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000184779139 443075329 /nfs/dbraw/zinc/07/53/29/443075329.db2.gz QZMOIJPWNPBXHX-JSGCOSHPSA-N 1 0 338.364 1.285 20 5 EDBDRO C[NH+](C)C[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CCO1 ZINC000266335007 443100807 /nfs/dbraw/zinc/10/08/07/443100807.db2.gz HKIMAOUJFFEVAF-NSHDSACASA-N 1 0 331.319 1.963 20 5 EDBDRO CC[C@H](O)C[NH+]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255636970 443106381 /nfs/dbraw/zinc/10/63/81/443106381.db2.gz CZCGZPSQMRLQLU-LZNQSLFOSA-N 1 0 333.388 1.523 20 5 EDBDRO CC(=O)N1CCN(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000268854028 443127365 /nfs/dbraw/zinc/12/73/65/443127365.db2.gz XEWBBGRISMQBDK-CQSZACIVSA-N 1 0 334.420 1.718 20 5 EDBDRO Cn1cc([C@@H](O)C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000268932790 443150343 /nfs/dbraw/zinc/15/03/43/443150343.db2.gz XULLMVCMKAZSSR-WBVHZDCISA-N 1 0 330.388 1.973 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000266534409 443159769 /nfs/dbraw/zinc/15/97/69/443159769.db2.gz NKYSNTAMKXNTTH-XJKSGUPXSA-N 1 0 334.351 1.781 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000262757026 443209950 /nfs/dbraw/zinc/20/99/50/443209950.db2.gz IFTGYTBWGWANBI-NEPJUHHUSA-N 1 0 327.406 1.583 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1C ZINC000382425263 319123541 /nfs/dbraw/zinc/12/35/41/319123541.db2.gz MDYSBIASNWHDAC-NWDGAFQWSA-N 1 0 327.406 1.617 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000382488605 319123953 /nfs/dbraw/zinc/12/39/53/319123953.db2.gz HIRTWBGBMABAFX-ZJUUUORDSA-N 1 0 329.378 1.009 20 5 EDBDRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000397253684 319133761 /nfs/dbraw/zinc/13/37/61/319133761.db2.gz DRBDSHAFKZMUKN-GRYCIOLGSA-N 1 0 327.406 1.589 20 5 EDBDRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000411248347 319174779 /nfs/dbraw/zinc/17/47/79/319174779.db2.gz BHZJBUJLCPSIOF-UHFFFAOYSA-N 1 0 348.403 1.832 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCSC3(CCC3)CC2)c1 ZINC000411871383 319210746 /nfs/dbraw/zinc/21/07/46/319210746.db2.gz RJVWTDXVHCPWFV-ZDUSSCGKSA-N 1 0 326.422 1.514 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@H](C[NH+](C)C)C2)c1F ZINC000412253600 319228609 /nfs/dbraw/zinc/22/86/09/319228609.db2.gz XUSLHNVBYAISGL-LLVKDONJSA-N 1 0 339.367 1.695 20 5 EDBDRO CC[N@@H+]1CC[C@H](NC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC000412867532 319244957 /nfs/dbraw/zinc/24/49/57/319244957.db2.gz ATHAXUYEVAFRDY-JTQLQIEISA-N 1 0 325.340 1.495 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000414658360 319337171 /nfs/dbraw/zinc/33/71/71/319337171.db2.gz QPALLNOHJYBKFF-ZDUSSCGKSA-N 1 0 349.391 1.115 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000414661772 319337926 /nfs/dbraw/zinc/33/79/26/319337926.db2.gz XXKVYUZYIZCTAC-NSHDSACASA-N 1 0 330.291 1.722 20 5 EDBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000415727217 319366909 /nfs/dbraw/zinc/36/69/09/319366909.db2.gz PYHAUGJCGFSDPD-HAQNSBGRSA-N 1 0 334.376 1.415 20 5 EDBDRO Cc1cc(S(=O)(=O)NC2CC[NH+](C)CC2)c(C)cc1[N+](=O)[O-] ZINC000416378336 319419265 /nfs/dbraw/zinc/41/92/65/319419265.db2.gz YYWGSGDZHUWDQV-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO Cc1c(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000269278934 443263973 /nfs/dbraw/zinc/26/39/73/443263973.db2.gz PVVZXTRODVEEEU-IINYFYTJSA-N 1 0 344.375 1.293 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269543987 443343711 /nfs/dbraw/zinc/34/37/11/443343711.db2.gz WAEVOIZVCDRWSU-UHFFFAOYSA-N 1 0 327.385 1.139 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CN(C)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000267012308 443313084 /nfs/dbraw/zinc/31/30/84/443313084.db2.gz IDXZLIKMJVMDJG-NSHDSACASA-N 1 0 342.421 1.163 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000267096988 443340848 /nfs/dbraw/zinc/34/08/48/443340848.db2.gz JVEGLZPPRQUZAI-OAHLLOKOSA-N 1 0 339.417 1.771 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000264601415 443342578 /nfs/dbraw/zinc/34/25/78/443342578.db2.gz FEUOJUHHQBXSRA-GFCCVEGCSA-N 1 0 327.406 1.618 20 5 EDBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000282476284 443350474 /nfs/dbraw/zinc/35/04/74/443350474.db2.gz OJGKMAWPSTVPND-UHFFFAOYSA-N 1 0 346.343 1.839 20 5 EDBDRO CC(C)c1n[nH]c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000269609906 443363399 /nfs/dbraw/zinc/36/33/99/443363399.db2.gz QVXZQYGIHHXNAL-NWDGAFQWSA-N 1 0 335.408 1.998 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000264675974 443370509 /nfs/dbraw/zinc/37/05/09/443370509.db2.gz VOYMRIREUNLFGS-UHFFFAOYSA-N 1 0 334.376 1.786 20 5 EDBDRO CC(C)(C)[C@H](C[NH3+])NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000420369293 319611643 /nfs/dbraw/zinc/61/16/43/319611643.db2.gz UXIHPEUGSQAAJK-ZDUSSCGKSA-N 1 0 338.364 1.225 20 5 EDBDRO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420426160 319617153 /nfs/dbraw/zinc/61/71/53/319617153.db2.gz JMZVWXBADNGGGB-ZETCQYMHSA-N 1 0 341.311 1.500 20 5 EDBDRO COC(=O)[C@H]1CC12CC[NH+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000269686171 443395804 /nfs/dbraw/zinc/39/58/04/443395804.db2.gz ZVCDRSYFXGWPSR-HUUCEWRRSA-N 1 0 334.372 1.903 20 5 EDBDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000278700025 443405429 /nfs/dbraw/zinc/40/54/29/443405429.db2.gz QUDDJNYUIGLCDZ-YMTOWFKASA-N 1 0 332.303 1.826 20 5 EDBDRO C[C@@H]1CCC[N@H+](CCNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000272879696 443476919 /nfs/dbraw/zinc/47/69/19/443476919.db2.gz GOFSQBCWPNLNMG-LLVKDONJSA-N 1 0 342.421 1.386 20 5 EDBDRO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC[NH+]1CCCCC1 ZINC000272878574 443477016 /nfs/dbraw/zinc/47/70/16/443477016.db2.gz GFSWWCJCZMCYQP-UHFFFAOYSA-N 1 0 328.394 1.140 20 5 EDBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000278973856 443478335 /nfs/dbraw/zinc/47/83/35/443478335.db2.gz CXUSDDILSXXJTD-LBPRGKRZSA-N 1 0 348.403 1.502 20 5 EDBDRO COC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCO1 ZINC000279023002 443493399 /nfs/dbraw/zinc/49/33/99/443493399.db2.gz GYNZLKBPJYMUSW-GDBMZVCRSA-N 1 0 349.387 1.268 20 5 EDBDRO CNC(=O)c1ccc(NCC2([NH+](C)C)CCOCC2)c([N+](=O)[O-])c1 ZINC000265008907 443507504 /nfs/dbraw/zinc/50/75/04/443507504.db2.gz FKKJCHFTJACFOT-UHFFFAOYSA-N 1 0 336.392 1.477 20 5 EDBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1[N+](=O)[O-] ZINC000271774119 443512724 /nfs/dbraw/zinc/51/27/24/443512724.db2.gz RASPJGVPRLLARM-JQWIXIFHSA-N 1 0 335.320 1.411 20 5 EDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000273044486 443527343 /nfs/dbraw/zinc/52/73/43/443527343.db2.gz PRLNZFFSTKYLHI-DOTOQJQBSA-N 1 0 346.383 2.000 20 5 EDBDRO C[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000265094905 443531087 /nfs/dbraw/zinc/53/10/87/443531087.db2.gz DTQLAPQGZGACJB-LBPRGKRZSA-N 1 0 338.383 1.347 20 5 EDBDRO Nc1nc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ncc1[N+](=O)[O-] ZINC000273078377 443532286 /nfs/dbraw/zinc/53/22/86/443532286.db2.gz GULVZNIRZRRBMX-ZDUSSCGKSA-N 1 0 344.375 1.146 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272259435 443572105 /nfs/dbraw/zinc/57/21/05/443572105.db2.gz ALHNZCZEVKGIMO-XJKSGUPXSA-N 1 0 332.404 1.949 20 5 EDBDRO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000283399951 443623455 /nfs/dbraw/zinc/62/34/55/443623455.db2.gz FINZEHWGBDTQNM-CQSZACIVSA-N 1 0 328.376 1.675 20 5 EDBDRO CN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC[NH2+]CC1 ZINC000428320506 319906501 /nfs/dbraw/zinc/90/65/01/319906501.db2.gz NDWUTQYDEDUJOQ-UHFFFAOYSA-N 1 0 335.360 1.119 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C(N)=O ZINC000286035335 443630576 /nfs/dbraw/zinc/63/05/76/443630576.db2.gz DMQTZYSNNVTCDI-QMTHXVAHSA-N 1 0 330.344 1.803 20 5 EDBDRO CN(C(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC000272340679 443596873 /nfs/dbraw/zinc/59/68/73/443596873.db2.gz NEDXYRKZQGNHOX-JTQLQIEISA-N 1 0 335.389 1.766 20 5 EDBDRO C[C@@H]1C[C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000267851028 443598148 /nfs/dbraw/zinc/59/81/48/443598148.db2.gz FQCUUNLVKODIHU-NXEZZACHSA-N 1 0 340.405 1.279 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000439346044 320045055 /nfs/dbraw/zinc/04/50/55/320045055.db2.gz HOKKCWHBTDJFQX-LLVKDONJSA-N 1 0 334.376 1.394 20 5 EDBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000440065575 320060823 /nfs/dbraw/zinc/06/08/23/320060823.db2.gz WACFWBIYBNOQCS-NSHDSACASA-N 1 0 329.422 1.912 20 5 EDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448981035 320169870 /nfs/dbraw/zinc/16/98/70/320169870.db2.gz RMBNEMFSVBAVGP-CYBMUJFWSA-N 1 0 343.387 1.947 20 5 EDBDRO CCOc1ccc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000449662992 320197463 /nfs/dbraw/zinc/19/74/63/320197463.db2.gz NGLBOPFMRGOXFJ-GFCCVEGCSA-N 1 0 329.303 1.721 20 5 EDBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000449749942 320205031 /nfs/dbraw/zinc/20/50/31/320205031.db2.gz HJDWJKZLZRKCTE-ZDUSSCGKSA-N 1 0 330.344 1.719 20 5 EDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450704567 320225442 /nfs/dbraw/zinc/22/54/42/320225442.db2.gz VTLPJCVIXLZGKD-UHFFFAOYSA-N 1 0 343.387 1.947 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452389479 320248650 /nfs/dbraw/zinc/24/86/50/320248650.db2.gz LZOKUBXMYQTWRA-CYBMUJFWSA-N 1 0 337.376 1.180 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 ZINC000458710673 320339081 /nfs/dbraw/zinc/33/90/81/320339081.db2.gz YMAMIGBYYKBIFW-YGRLFVJLSA-N 1 0 344.375 1.317 20 5 EDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@H+]1CCCO ZINC000493661689 320396955 /nfs/dbraw/zinc/39/69/55/320396955.db2.gz OOELFJDOQGPTNS-XITLMJRVSA-N 1 0 333.388 1.571 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCN(CC(F)F)C2)c1 ZINC000515166406 320431682 /nfs/dbraw/zinc/43/16/82/320431682.db2.gz OIERJQBQWXRFCC-DGCLKSJQSA-N 1 0 345.346 1.264 20 5 EDBDRO O=[N+]([O-])c1cccnc1N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000298173037 443712148 /nfs/dbraw/zinc/71/21/48/443712148.db2.gz UNWVNVNTKQMEQQ-UHFFFAOYSA-N 1 0 333.436 1.988 20 5 EDBDRO COC(=O)C1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000298524527 443791431 /nfs/dbraw/zinc/79/14/31/443791431.db2.gz STMXTKDVXHZFQH-UHFFFAOYSA-N 1 0 349.387 1.600 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292181734 443782385 /nfs/dbraw/zinc/78/23/85/443782385.db2.gz QQDIKAGOZIXIKS-KRWDZBQOSA-N 1 0 348.403 1.570 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c(C)c1[N+](=O)[O-] ZINC000292639591 443805520 /nfs/dbraw/zinc/80/55/20/443805520.db2.gz WQDZEXCUTMLDCI-INIZCTEOSA-N 1 0 335.408 1.352 20 5 EDBDRO C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285173574 443882976 /nfs/dbraw/zinc/88/29/76/443882976.db2.gz MZWXCILIUYUREZ-ZYHUDNBSSA-N 1 0 342.421 1.252 20 5 EDBDRO CO[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000277064249 443899374 /nfs/dbraw/zinc/89/93/74/443899374.db2.gz DLVOTRPWKVTIML-IYBDPMFKSA-N 1 0 346.387 1.841 20 5 EDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC1CCS(=O)(=O)CC1 ZINC000285352281 443953035 /nfs/dbraw/zinc/95/30/35/443953035.db2.gz PSKDQFDOELQCMG-UHFFFAOYSA-N 1 0 326.418 1.894 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000293048539 443912196 /nfs/dbraw/zinc/91/21/96/443912196.db2.gz LIGTUUNLLQPVNH-GFCCVEGCSA-N 1 0 332.404 1.875 20 5 EDBDRO CCN1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000285391029 443967836 /nfs/dbraw/zinc/96/78/36/443967836.db2.gz SLDRZQGCTRRUFV-GFCCVEGCSA-N 1 0 327.406 1.618 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000285407359 443973474 /nfs/dbraw/zinc/97/34/74/443973474.db2.gz KEFPVSKFQWYZSB-UHFFFAOYSA-N 1 0 347.350 1.805 20 5 EDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000285589812 444039877 /nfs/dbraw/zinc/03/98/77/444039877.db2.gz XNHGDRFUUDWTEK-LBPRGKRZSA-N 1 0 341.433 1.917 20 5 EDBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299312735 444014070 /nfs/dbraw/zinc/01/40/70/444014070.db2.gz DMFSPHWDDMWEOI-UHFFFAOYSA-N 1 0 332.360 1.793 20 5 EDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000282025387 444065897 /nfs/dbraw/zinc/06/58/97/444065897.db2.gz SPDYNHLCVTZFTJ-ZDUSSCGKSA-N 1 0 343.387 1.982 20 5 EDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000565480721 321188535 /nfs/dbraw/zinc/18/85/35/321188535.db2.gz UHKNKHPGXCNDHV-UHFFFAOYSA-N 1 0 339.417 1.633 20 5 EDBDRO COCCOc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)C[NH3+])cc1OC ZINC000565652001 321194851 /nfs/dbraw/zinc/19/48/51/321194851.db2.gz BGHXQRJZIXNDKN-UHFFFAOYSA-N 1 0 341.364 1.096 20 5 EDBDRO O=C1[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]2CCCCN12 ZINC000565653539 321195143 /nfs/dbraw/zinc/19/51/43/321195143.db2.gz FLHCQMRHGVDYQK-BFHYXJOUSA-N 1 0 349.387 1.078 20 5 EDBDRO CC(C)[C@@H]1C[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000567697266 321253852 /nfs/dbraw/zinc/25/38/52/321253852.db2.gz TWOTVVDXBCQJLH-CFVMTHIKSA-N 1 0 326.397 1.193 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000296188514 444210813 /nfs/dbraw/zinc/21/08/13/444210813.db2.gz VOVBJLGKUVXKOE-BQGCOEIASA-N 1 0 348.399 1.882 20 5 EDBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301455094 444172919 /nfs/dbraw/zinc/17/29/19/444172919.db2.gz HAWQYLWSEDSNEI-LLVKDONJSA-N 1 0 342.421 1.163 20 5 EDBDRO C[N@@H+]1CCO[C@H]2CN(c3c(Br)cncc3[N+](=O)[O-])C[C@H]21 ZINC000301946286 444198096 /nfs/dbraw/zinc/19/80/96/444198096.db2.gz XNLFRAIJALNUST-MNOVXSKESA-N 1 0 343.181 1.272 20 5 EDBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000576508687 321572415 /nfs/dbraw/zinc/57/24/15/321572415.db2.gz RHMPHEQQJFSKOE-LLVKDONJSA-N 1 0 335.360 1.628 20 5 EDBDRO C[C@@H]1C[NH+](C[C@@H](O)CN2CCc3c(cccc3[N+](=O)[O-])C2)C[C@@H](C)O1 ZINC000305442042 444269920 /nfs/dbraw/zinc/26/99/20/444269920.db2.gz NJZNZOCZJOADOE-FMKPAKJESA-N 1 0 349.431 1.423 20 5 EDBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000290677151 444309626 /nfs/dbraw/zinc/30/96/26/444309626.db2.gz PYIBKXNWTIXUHU-UHFFFAOYSA-N 1 0 340.399 1.689 20 5 EDBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000290712426 444313957 /nfs/dbraw/zinc/31/39/57/444313957.db2.gz XRJSUQMQPOIUKI-SNVBAGLBSA-N 1 0 330.410 1.384 20 5 EDBDRO COc1cc(CN2CCC([N@H+](C)CCCO)CC2)ccc1[N+](=O)[O-] ZINC000305842185 444283146 /nfs/dbraw/zinc/28/31/46/444283146.db2.gz RLQOEUQEXKIGJS-UHFFFAOYSA-N 1 0 337.420 1.882 20 5 EDBDRO NC(=O)C1CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000578758989 321825625 /nfs/dbraw/zinc/82/56/25/321825625.db2.gz KGQSHVONWKNRFR-UHFFFAOYSA-N 1 0 334.376 1.557 20 5 EDBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@]1(C)CCCO1 ZINC000340507678 444416765 /nfs/dbraw/zinc/41/67/65/444416765.db2.gz XODQAVYHMYRHBG-WFASDCNBSA-N 1 0 342.417 1.916 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC(C)(C)[NH+](C)C ZINC000297987008 444378251 /nfs/dbraw/zinc/37/82/51/444378251.db2.gz WRJLZXAJZYVZPR-UHFFFAOYSA-N 1 0 336.392 1.607 20 5 EDBDRO Cc1c(C[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000331192481 444437905 /nfs/dbraw/zinc/43/79/05/444437905.db2.gz QKTDIVXOGCGESK-KGLIPLIRSA-N 1 0 341.433 1.853 20 5 EDBDRO C[C@@H]1C[C@@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000579828083 321974644 /nfs/dbraw/zinc/97/46/44/321974644.db2.gz CLIXJWNRXFSXPT-AGIUHOORSA-N 1 0 342.417 1.772 20 5 EDBDRO CC(C)[C@@H](O)C(C)(C)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000580431688 322050422 /nfs/dbraw/zinc/05/04/22/322050422.db2.gz XIHCRFJAONVELT-CZUORRHYSA-N 1 0 340.420 1.967 20 5 EDBDRO C[NH2+][C@@H](C)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000580449570 322053657 /nfs/dbraw/zinc/05/36/57/322053657.db2.gz UGXSXDVUOIBXFU-QMMMGPOBSA-N 1 0 334.298 1.750 20 5 EDBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1OC ZINC000581007396 322123580 /nfs/dbraw/zinc/12/35/80/322123580.db2.gz IGZXLKNINZQLTG-NOXHYTERSA-N 1 0 340.376 1.117 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000581429360 322176726 /nfs/dbraw/zinc/17/67/26/322176726.db2.gz ITXPHDWUADDDAG-MNOVXSKESA-N 1 0 327.406 1.515 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000342220612 444571791 /nfs/dbraw/zinc/57/17/91/444571791.db2.gz BOPHBRKEURMBNX-CYBMUJFWSA-N 1 0 343.387 1.995 20 5 EDBDRO COc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000341008487 444628334 /nfs/dbraw/zinc/62/83/34/444628334.db2.gz CLNWLZMXXNRROU-WCQYABFASA-N 1 0 336.392 1.885 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000340997023 444621439 /nfs/dbraw/zinc/62/14/39/444621439.db2.gz UWLYASYIIWSLQW-STQMWFEESA-N 1 0 335.408 1.789 20 5 EDBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000343961475 444695656 /nfs/dbraw/zinc/69/56/56/444695656.db2.gz BSFJUZZLOPQFKB-CQSZACIVSA-N 1 0 348.403 1.137 20 5 EDBDRO CS[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000342539606 444737016 /nfs/dbraw/zinc/73/70/16/444737016.db2.gz GEPXMJDMJFJEFZ-GJZGRUSLSA-N 1 0 325.434 1.951 20 5 EDBDRO Cc1nn(C)c(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)c1[N+](=O)[O-] ZINC000344064906 444760488 /nfs/dbraw/zinc/76/04/88/444760488.db2.gz RHYJAAZAVTXBST-UHFFFAOYSA-N 1 0 349.391 1.824 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000338599360 444769177 /nfs/dbraw/zinc/76/91/77/444769177.db2.gz NWZGEINFVYHRAE-CQSZACIVSA-N 1 0 348.403 1.879 20 5 EDBDRO C[C@H]1C[C@H](CO)CC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000344126343 444795660 /nfs/dbraw/zinc/79/56/60/444795660.db2.gz HFPVLOBWDLHOMQ-QWHCGFSZSA-N 1 0 349.387 1.986 20 5 EDBDRO CSc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(N)n2)[NH+](C)C)cc1 ZINC000338838517 444881822 /nfs/dbraw/zinc/88/18/22/444881822.db2.gz VOIKSKATGAXDHD-LBPRGKRZSA-N 1 0 348.432 1.826 20 5 EDBDRO C[N@H+](CCCC(=O)OC(C)(C)C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000341577771 444904452 /nfs/dbraw/zinc/90/44/52/444904452.db2.gz NSLSBNPPWJITRY-UHFFFAOYSA-N 1 0 339.392 1.810 20 5 EDBDRO COc1cc(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000330549982 445030208 /nfs/dbraw/zinc/03/02/08/445030208.db2.gz RPZLWCVDSKKZTE-GXTWGEPZSA-N 1 0 339.417 1.721 20 5 EDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000330589697 445050309 /nfs/dbraw/zinc/05/03/09/445050309.db2.gz NOGSSERPNKZBDS-QWHCGFSZSA-N 1 0 348.403 1.266 20 5 EDBDRO C[NH+](C)CCOC1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000330738992 445120693 /nfs/dbraw/zinc/12/06/93/445120693.db2.gz ZULGZOHXLLXKIY-UHFFFAOYSA-N 1 0 327.406 1.839 20 5 EDBDRO CC[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])cc(Cl)c2=O)CC1 ZINC000330838832 445162000 /nfs/dbraw/zinc/16/20/00/445162000.db2.gz MNNPWAGMRCWWOJ-UHFFFAOYSA-N 1 0 342.783 1.010 20 5 EDBDRO O=C(NCC1CC[NH+](CCO)CC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000351765003 445312596 /nfs/dbraw/zinc/31/25/96/445312596.db2.gz BXJSUGWOFQPUOL-UHFFFAOYSA-N 1 0 340.355 1.560 20 5 EDBDRO CC(C)[C@H]1C[N@H+](C)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348545619 445322420 /nfs/dbraw/zinc/32/24/20/445322420.db2.gz VYVCEADRWPNQOB-NVXWUHKLSA-N 1 0 337.420 1.607 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000348149953 445289185 /nfs/dbraw/zinc/28/91/85/445289185.db2.gz XGCGHNMRDSRESC-VXGBXAGGSA-N 1 0 337.376 1.947 20 5 EDBDRO COC[C@]1(CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000357282826 445524258 /nfs/dbraw/zinc/52/42/58/445524258.db2.gz FIHLPZUQUDIEHW-OAHLLOKOSA-N 1 0 339.417 1.815 20 5 EDBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2C1 ZINC000349045588 445487108 /nfs/dbraw/zinc/48/71/08/445487108.db2.gz FEWVXTHTBFNCSA-GFCCVEGCSA-N 1 0 342.355 1.823 20 5 EDBDRO CCc1ccc(C(=O)N2CC[C@H]([N@H+](C)CCO)[C@H]2C)cc1[N+](=O)[O-] ZINC000356073073 445603762 /nfs/dbraw/zinc/60/37/62/445603762.db2.gz XBTZRJPZBBQBLI-DOMZBBRYSA-N 1 0 335.404 1.684 20 5 EDBDRO Cn1ccnc1[C@H](NC[C@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000353676821 445703613 /nfs/dbraw/zinc/70/36/13/445703613.db2.gz WWUMHKUHMIORTB-NVXWUHKLSA-N 1 0 345.403 1.074 20 5 EDBDRO Cn1cc(C[NH2+]C[C@H]2CC[C@H](CO)O2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000353694605 445711915 /nfs/dbraw/zinc/71/19/15/445711915.db2.gz ZEGUCZVBFNDJNA-HZPDHXFCSA-N 1 0 346.387 1.625 20 5 EDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000360278176 445672715 /nfs/dbraw/zinc/67/27/15/445672715.db2.gz FFJUNYLRWDRLGS-HUUCEWRRSA-N 1 0 334.376 1.658 20 5 EDBDRO Cc1c(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000363217927 445726360 /nfs/dbraw/zinc/72/63/60/445726360.db2.gz CXDKGEXUMRVYLI-OAHLLOKOSA-N 1 0 346.431 1.755 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000353733617 445730498 /nfs/dbraw/zinc/73/04/98/445730498.db2.gz ANDUNLKUHITKQX-SMDDNHRTSA-N 1 0 338.360 1.804 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]CC2(O)CCCC2)cc1[N+](=O)[O-] ZINC000353739220 445733340 /nfs/dbraw/zinc/73/33/40/445733340.db2.gz OWJORZWESVFBLJ-UHFFFAOYSA-N 1 0 338.360 1.541 20 5 EDBDRO C[C@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C)C[NH2+]1 ZINC000356344135 445744314 /nfs/dbraw/zinc/74/43/14/445744314.db2.gz KWPFMSIUWXPBCW-QWRGUYRKSA-N 1 0 335.360 1.117 20 5 EDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000353960046 445829106 /nfs/dbraw/zinc/82/91/06/445829106.db2.gz MMOQDKMXGXYZKP-GFCCVEGCSA-N 1 0 331.376 1.851 20 5 EDBDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000358790370 445776903 /nfs/dbraw/zinc/77/69/03/445776903.db2.gz JMBPVOWXZUPXRR-DAXOMENPSA-N 1 0 331.376 1.630 20 5 EDBDRO CCOc1ccc([C@H](C)[NH2+]CCS(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000353864067 445788906 /nfs/dbraw/zinc/78/89/06/445788906.db2.gz YOHKZAFLIWDFIJ-NSHDSACASA-N 1 0 345.421 1.536 20 5 EDBDRO CC[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000363507401 445836976 /nfs/dbraw/zinc/83/69/76/445836976.db2.gz VWPUPOFZAAPSKC-IIAWOOMASA-N 1 0 337.424 1.101 20 5 EDBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365927861 445911292 /nfs/dbraw/zinc/91/12/92/445911292.db2.gz MKGVNHJIXIZULW-CQSZACIVSA-N 1 0 335.408 1.829 20 5 EDBDRO Cc1cc(Sc2nnnn2C[C@@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000356782955 446015017 /nfs/dbraw/zinc/01/50/17/446015017.db2.gz SUJKEBZGHUJBHM-LLVKDONJSA-N 1 0 334.405 1.993 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000583575055 326098800 /nfs/dbraw/zinc/09/88/00/326098800.db2.gz QSMJSRAOWNMHIX-UHFFFAOYSA-N 1 0 339.417 1.795 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1[N+](=O)[O-] ZINC000369323353 446073717 /nfs/dbraw/zinc/07/37/17/446073717.db2.gz WRRYIHZUMHMDEC-FPMFFAJLSA-N 1 0 339.417 1.651 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c(F)c1 ZINC000369343638 446087324 /nfs/dbraw/zinc/08/73/24/446087324.db2.gz DMZXAUDEBJTIMO-ZDUSSCGKSA-N 1 0 338.383 1.552 20 5 EDBDRO Cc1ccnc(N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000369345125 446089498 /nfs/dbraw/zinc/08/94/98/446089498.db2.gz JNMSJPUZLKPTFE-AWEZNQCLSA-N 1 0 335.408 1.117 20 5 EDBDRO CN(Cc1c([N+](=O)[O-])ncn1C)C[C@@H]1CCCN1c1cccnn1 ZINC000361944113 446094390 /nfs/dbraw/zinc/09/43/90/446094390.db2.gz MLWOXFWNXMZNES-LBPRGKRZSA-N 1 0 331.380 1.219 20 5 EDBDRO C[NH+]1CCC(CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000351523217 446125076 /nfs/dbraw/zinc/12/50/76/446125076.db2.gz KZENGFLEGGSPKN-UHFFFAOYSA-N 1 0 338.339 1.130 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCc2nccn21 ZINC000365652828 446288658 /nfs/dbraw/zinc/28/86/58/446288658.db2.gz BTTJGVLKWKSFFI-ZDUSSCGKSA-N 1 0 340.343 1.861 20 5 EDBDRO COc1ccc2c(c1)[C@@H]([NH3+])CCN2C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000365714375 446312278 /nfs/dbraw/zinc/31/22/78/446312278.db2.gz WRRPMGUCLKXQJB-LBPRGKRZSA-N 1 0 331.332 1.237 20 5 EDBDRO CCc1nnc2n1C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000365803562 446350205 /nfs/dbraw/zinc/35/02/05/446350205.db2.gz BYIOVMPOUNOAMZ-LLVKDONJSA-N 1 0 346.347 1.762 20 5 EDBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000370614005 446358755 /nfs/dbraw/zinc/35/87/55/446358755.db2.gz JFPCKWLIVLJMRU-PMPSAXMXSA-N 1 0 332.404 1.560 20 5 EDBDRO CN1CCC[C@@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)C1=O ZINC000365828311 446359243 /nfs/dbraw/zinc/35/92/43/446359243.db2.gz UIQDWRUIUKGHQW-INIZCTEOSA-N 1 0 348.359 1.947 20 5 EDBDRO CNC(=O)c1ccc(NC[C@H]2CCNCC2(F)F)c([N+](=O)[O-])c1 ZINC000420288357 446452451 /nfs/dbraw/zinc/45/24/51/446452451.db2.gz SCSWERNEDPBNLZ-SNVBAGLBSA-N 1 0 328.319 1.611 20 5 EDBDRO CCOC(=O)c1ccnc(N2CCC([C@@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000420257784 446436734 /nfs/dbraw/zinc/43/67/34/446436734.db2.gz KPKGSYVEUZSDFI-CYBMUJFWSA-N 1 0 348.403 1.992 20 5 EDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H](CC[NH3+])C(F)F)s1 ZINC000420272922 446442894 /nfs/dbraw/zinc/44/28/94/446442894.db2.gz WYIDFGSPPOZEQK-RXMQYKEDSA-N 1 0 329.350 1.454 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420285114 446450803 /nfs/dbraw/zinc/45/08/03/446450803.db2.gz DTTUWWKIDDYGEI-CHWSQXEVSA-N 1 0 341.433 1.428 20 5 EDBDRO C[N@@H+]1CCCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000411160075 446413782 /nfs/dbraw/zinc/41/37/82/446413782.db2.gz WFXSAGNHTHEBQY-UHFFFAOYSA-N 1 0 334.376 1.530 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370758256 446419115 /nfs/dbraw/zinc/41/91/15/446419115.db2.gz JZKILMRFCZFQDJ-BBRMVZONSA-N 1 0 348.403 1.529 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c([N+](=O)[O-])c1 ZINC000367018868 446466990 /nfs/dbraw/zinc/46/69/90/446466990.db2.gz DEUPIOZPWVAJCU-UONOGXRCSA-N 1 0 346.387 1.184 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000420315267 446480270 /nfs/dbraw/zinc/48/02/70/446480270.db2.gz WTSZJNXBSVLALT-ZBFHGGJFSA-N 1 0 346.431 1.860 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420336677 446505758 /nfs/dbraw/zinc/50/57/58/446505758.db2.gz JAATZGYPBSEYGG-RISCZKNCSA-N 1 0 334.376 1.226 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000423517866 446559527 /nfs/dbraw/zinc/55/95/27/446559527.db2.gz OJXFDOUBFLPKSL-DOMZBBRYSA-N 1 0 336.392 1.280 20 5 EDBDRO Cn1cc(C[NH2+]C[C@@]2(C)CCC(=O)N2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000453586514 446565329 /nfs/dbraw/zinc/56/53/29/446565329.db2.gz IGPQVMOULFWIFJ-QGZVFWFLSA-N 1 0 343.387 1.754 20 5 EDBDRO COc1ccc(NC(=O)CN[C@H]2CC[NH2+]CC2(C)C)c([N+](=O)[O-])c1 ZINC000420357507 446537771 /nfs/dbraw/zinc/53/77/71/446537771.db2.gz DQZHBMWHDGWYCU-AWEZNQCLSA-N 1 0 336.392 1.520 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000423632696 446617635 /nfs/dbraw/zinc/61/76/35/446617635.db2.gz KEJWUYKTTFSODR-FIXISWKDSA-N 1 0 349.387 1.888 20 5 EDBDRO CCOc1ccc2c(c1)CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000433446822 446572903 /nfs/dbraw/zinc/57/29/03/446572903.db2.gz IVIKPZCKQMEBRV-INIZCTEOSA-N 1 0 346.387 1.609 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420405080 446579007 /nfs/dbraw/zinc/57/90/07/446579007.db2.gz SREJKQVIIXKCST-BETUJISGSA-N 1 0 346.387 1.719 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000420417147 446591615 /nfs/dbraw/zinc/59/16/15/446591615.db2.gz DHDQWFKDZXHKHE-ZYHUDNBSSA-N 1 0 327.406 1.651 20 5 EDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000420456959 446636013 /nfs/dbraw/zinc/63/60/13/446636013.db2.gz AYPMVAWAPLITHZ-DOOHLRMFSA-N 1 0 339.417 1.530 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000420460512 446639729 /nfs/dbraw/zinc/63/97/29/446639729.db2.gz SLQFSMZDUSXEFE-RYUDHWBXSA-N 1 0 327.406 1.617 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000420473047 446648202 /nfs/dbraw/zinc/64/82/02/446648202.db2.gz COYFQMKUAZAQJC-IAQYHMDHSA-N 1 0 341.433 1.763 20 5 EDBDRO COc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)c([N+](=O)[O-])cc1F ZINC000375282022 446692008 /nfs/dbraw/zinc/69/20/08/446692008.db2.gz QBVRIYFQSMBFJS-WBMJQRKESA-N 1 0 337.351 1.889 20 5 EDBDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000368188020 446695931 /nfs/dbraw/zinc/69/59/31/446695931.db2.gz KCHQCWIJKIPCLF-HIFRSBDPSA-N 1 0 333.388 1.419 20 5 EDBDRO Cc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000375291130 446697810 /nfs/dbraw/zinc/69/78/10/446697810.db2.gz DVNKRYBMYXLJAW-CXAGYDPISA-N 1 0 343.387 1.746 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000418783626 446699879 /nfs/dbraw/zinc/69/98/79/446699879.db2.gz OWUYSFAMFDOUNY-OBJOEFQTSA-N 1 0 348.403 1.358 20 5 EDBDRO CCCc1n[nH]c(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000371235288 446707859 /nfs/dbraw/zinc/70/78/59/446707859.db2.gz JQNHNLWNBQFZJJ-VXGBXAGGSA-N 1 0 335.408 1.875 20 5 EDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000368310616 446778712 /nfs/dbraw/zinc/77/87/12/446778712.db2.gz QEZIMNAVQMJCDS-GDLCADMTSA-N 1 0 331.376 1.128 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420759350 446798205 /nfs/dbraw/zinc/79/82/05/446798205.db2.gz DNEUPLKBUCWZLD-ZDUSSCGKSA-N 1 0 327.406 1.618 20 5 EDBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C[NH3+] ZINC000424076030 446841471 /nfs/dbraw/zinc/84/14/71/446841471.db2.gz PXJZQELJRXYXHE-MXWKQRLJSA-N 1 0 331.376 1.917 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000412337155 446940923 /nfs/dbraw/zinc/94/09/23/446940923.db2.gz JDHJBZWLFFVLKA-YLFCFFPRSA-N 1 0 345.399 1.630 20 5 EDBDRO CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@H]1CCC[N@@H+]1C ZINC000421010779 446983141 /nfs/dbraw/zinc/98/31/41/446983141.db2.gz REUPKYBAJQMQJM-CQSZACIVSA-N 1 0 348.403 1.919 20 5 EDBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000421029594 447000075 /nfs/dbraw/zinc/00/00/75/447000075.db2.gz VKAXWKMGIXUXKT-UHFFFAOYSA-N 1 0 327.406 1.605 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](CCO)CC2)c1 ZINC000421034141 447003733 /nfs/dbraw/zinc/00/37/33/447003733.db2.gz GSYDUYWJRKHGBV-HOCLYGCPSA-N 1 0 338.404 1.819 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000421294121 447107489 /nfs/dbraw/zinc/10/74/89/447107489.db2.gz FSNMRDBXWUCFRJ-CYBMUJFWSA-N 1 0 334.376 1.394 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(C)C ZINC000444177700 447089554 /nfs/dbraw/zinc/08/95/54/447089554.db2.gz ZIINEDJQUNTZML-UHFFFAOYSA-N 1 0 329.422 1.912 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413299617 447125631 /nfs/dbraw/zinc/12/56/31/447125631.db2.gz MJPWLYDATJASTB-UHFFFAOYSA-N 1 0 331.420 2.438 20 5 EDBDRO C[NH+](C)CCn1nccc1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000455660536 447200886 /nfs/dbraw/zinc/20/08/86/447200886.db2.gz RSXUGZNQYVIUOW-UHFFFAOYSA-N 1 0 346.391 1.717 20 5 EDBDRO COC(=O)c1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC000421701870 447224032 /nfs/dbraw/zinc/22/40/32/447224032.db2.gz IQKHMDNRHXVADE-ZDUSSCGKSA-N 1 0 335.360 1.548 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)cccc1[N+](=O)[O-] ZINC000425549833 447225565 /nfs/dbraw/zinc/22/55/65/447225565.db2.gz OHLPXWAAQKYREK-GFCCVEGCSA-N 1 0 344.375 1.839 20 5 EDBDRO O=C(CC[C@@H]1CCC[NH2+]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000494633329 447453099 /nfs/dbraw/zinc/45/30/99/447453099.db2.gz ADLSSQMHFPBJMX-STQMWFEESA-N 1 0 333.392 1.535 20 5 EDBDRO Cc1nc(N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450421385 447485788 /nfs/dbraw/zinc/48/57/88/447485788.db2.gz SOFFXUVEUDXXPQ-LBPRGKRZSA-N 1 0 334.424 1.298 20 5 EDBDRO C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H](C)[N@H+]1CCO ZINC000450789552 447577727 /nfs/dbraw/zinc/57/77/27/447577727.db2.gz GEJAALCSFMHBCA-TXEJJXNPSA-N 1 0 347.375 1.536 20 5 EDBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@H+](Cc2ccccc2)C1 ZINC000450809133 447583833 /nfs/dbraw/zinc/58/38/33/447583833.db2.gz JLFJUASGOMZHJZ-CYBMUJFWSA-N 1 0 342.403 1.925 20 5 EDBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])n1C)CCC(F)(F)F ZINC000427205179 447561166 /nfs/dbraw/zinc/56/11/66/447561166.db2.gz RIYMFJJYMFDTMJ-UHFFFAOYSA-N 1 0 336.314 1.937 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)c(C)cc1[N+](=O)[O-] ZINC000416485173 447622269 /nfs/dbraw/zinc/62/22/69/447622269.db2.gz ZRLCMEXGSGOLKV-JTQLQIEISA-N 1 0 329.422 1.688 20 5 EDBDRO [NH3+]CCNC(=O)[C@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000420170827 447653239 /nfs/dbraw/zinc/65/32/39/447653239.db2.gz MRELCFUPUQCLPB-ZDUSSCGKSA-N 1 0 343.387 1.434 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC3(CCC3)[C@H]3COC[C@H]32)c1 ZINC000459725539 447753621 /nfs/dbraw/zinc/75/36/21/447753621.db2.gz QBZAWBZQONAYGK-HYVNUMGLSA-N 1 0 348.399 1.835 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452072704 447810702 /nfs/dbraw/zinc/81/07/02/447810702.db2.gz XOMYURFDEBQHTC-DGCLKSJQSA-N 1 0 337.376 1.635 20 5 EDBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000569723497 447877990 /nfs/dbraw/zinc/87/79/90/447877990.db2.gz KAELTPGREQGXJH-XJKSGUPXSA-N 1 0 333.388 1.953 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000569827014 447902207 /nfs/dbraw/zinc/90/22/07/447902207.db2.gz AZGNPTCRCCYVKY-LLVKDONJSA-N 1 0 331.376 2.386 20 5 EDBDRO C[NH+](C)CCn1ccc(NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000491413695 448018826 /nfs/dbraw/zinc/01/88/26/448018826.db2.gz GFZZAZSKVYHMHQ-XQRVVYSFSA-N 1 0 347.350 2.144 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000531481259 448090494 /nfs/dbraw/zinc/09/04/94/448090494.db2.gz ZMLRVBQRIWSISM-OLZOCXBDSA-N 1 0 348.403 1.898 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000576844469 448154332 /nfs/dbraw/zinc/15/43/32/448154332.db2.gz BXLZGUCNGXQJGA-UHFFFAOYSA-N 1 0 334.376 1.643 20 5 EDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)Cn2cccn2)cc(C(F)(F)F)c1 ZINC000571158291 448113052 /nfs/dbraw/zinc/11/30/52/448113052.db2.gz CFPSCOQBWUTVIJ-CYBMUJFWSA-N 1 0 344.293 1.961 20 5 EDBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491792622 448125860 /nfs/dbraw/zinc/12/58/60/448125860.db2.gz HPQDGKBLKWLCPE-YVZNUBBCSA-N 1 0 336.367 1.109 20 5 EDBDRO O=C(CN1CC[C@@]2(C1)CCC[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000577221301 448240766 /nfs/dbraw/zinc/24/07/66/448240766.db2.gz MPXRVVOTVOIXHE-SFHVURJKSA-N 1 0 344.415 1.559 20 5 EDBDRO CC(C)(C)c1ccc(C(=O)NCC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000515346592 448294066 /nfs/dbraw/zinc/29/40/66/448294066.db2.gz IVUDVWWYLLFTQC-UHFFFAOYSA-N 1 0 348.403 1.054 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000515660405 448341052 /nfs/dbraw/zinc/34/10/52/448341052.db2.gz ZKCRNTWIAWGYNX-UHFFFAOYSA-N 1 0 334.376 1.429 20 5 EDBDRO CNc1nccc(C(=O)NCc2ccc(C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000565174031 448357417 /nfs/dbraw/zinc/35/74/17/448357417.db2.gz UOMRBIUIOHFNTQ-UHFFFAOYSA-N 1 0 343.387 2.023 20 5 EDBDRO CNc1nccc(C(=O)NCC2([NH+](C)C)CCCCC2)c1[N+](=O)[O-] ZINC000565171757 448357776 /nfs/dbraw/zinc/35/77/76/448357776.db2.gz MBEZTMSFJBLJHV-UHFFFAOYSA-N 1 0 335.408 2.026 20 5 EDBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1ccco1 ZINC000564470962 448331310 /nfs/dbraw/zinc/33/13/10/448331310.db2.gz OAYWCDJUFDXURE-PWSUYJOCSA-N 1 0 347.375 2.024 20 5 EDBDRO CN1CC[NH+](CCCCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CC1 ZINC000577816721 448390952 /nfs/dbraw/zinc/39/09/52/448390952.db2.gz PQLPUVZWDLWIDH-UHFFFAOYSA-N 1 0 332.408 1.333 20 5 EDBDRO Cn1cncc1CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000572658646 448432743 /nfs/dbraw/zinc/43/27/43/448432743.db2.gz BJBLTEAAWRFHFT-CYBMUJFWSA-N 1 0 330.392 1.842 20 5 EDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000566412439 448465057 /nfs/dbraw/zinc/46/50/57/448465057.db2.gz WCHWFJHEWKESEK-DGCLKSJQSA-N 1 0 329.360 1.732 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCC2CCOCC2)cc1 ZINC000591739492 448477877 /nfs/dbraw/zinc/47/78/77/448477877.db2.gz YGKWUVMUEPFJNP-UHFFFAOYSA-N 1 0 342.417 1.775 20 5 EDBDRO Cc1cccnc1CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591770515 448487437 /nfs/dbraw/zinc/48/74/37/448487437.db2.gz FMHZQFNIRQEVSQ-HNNXBMFYSA-N 1 0 331.372 1.870 20 5 EDBDRO CC(C)[N@H+](C)C[C@@H](O)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000516878152 448488897 /nfs/dbraw/zinc/48/88/97/448488897.db2.gz ADESMIVUYPEIKL-CYBMUJFWSA-N 1 0 336.348 1.113 20 5 EDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000591985743 448610888 /nfs/dbraw/zinc/61/08/88/448610888.db2.gz QZKGLDADJXIXIF-SECBINFHSA-N 1 0 327.772 1.199 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCOC[C@@H]2C2CCC2)c1 ZINC000567499423 448704270 /nfs/dbraw/zinc/70/42/70/448704270.db2.gz ZOWFNJCNUBCCEZ-NVXWUHKLSA-N 1 0 336.388 1.835 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000592372571 448810082 /nfs/dbraw/zinc/81/00/82/448810082.db2.gz MRZUSGOAOXWLSN-WDEREUQCSA-N 1 0 343.405 1.399 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000592378745 448811449 /nfs/dbraw/zinc/81/14/49/448811449.db2.gz ALKDZGOLNGPLFD-CQSZACIVSA-N 1 0 341.433 1.776 20 5 EDBDRO CC[C@@H](C)N(C)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000574032448 448773945 /nfs/dbraw/zinc/77/39/45/448773945.db2.gz CZKVWINUTSHKGU-CYBMUJFWSA-N 1 0 343.449 1.688 20 5 EDBDRO CC1(C)CC[N@H+](CC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000567914139 448782908 /nfs/dbraw/zinc/78/29/08/448782908.db2.gz MNMXEPHKNNWZOE-UHFFFAOYSA-N 1 0 335.408 1.687 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCO1 ZINC000592307881 448783936 /nfs/dbraw/zinc/78/39/36/448783936.db2.gz KHUWOGXRYVSJRF-BLLLJJGKSA-N 1 0 348.403 1.383 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CC[C@H]1[NH3+] ZINC000592381843 448814580 /nfs/dbraw/zinc/81/45/80/448814580.db2.gz HSAKLPVYLMQIIT-GHMZBOCLSA-N 1 0 343.405 1.351 20 5 EDBDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(C)C ZINC000592432744 448834290 /nfs/dbraw/zinc/83/42/90/448834290.db2.gz UQTMGESNWONIIJ-LSDHHAIUSA-N 1 0 344.433 1.754 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](CO)Cc2ccccc2)c1 ZINC000592432060 448834365 /nfs/dbraw/zinc/83/43/65/448834365.db2.gz KDWSROUZSKXURO-WBVHZDCISA-N 1 0 346.383 1.528 20 5 EDBDRO CN(CCN1CC[NH2+]CC1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000592469264 448850727 /nfs/dbraw/zinc/85/07/27/448850727.db2.gz ZBKVLZLLISXQRQ-UHFFFAOYSA-N 1 0 348.447 1.870 20 5 EDBDRO [NH3+]C[C@@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000592468876 448850794 /nfs/dbraw/zinc/85/07/94/448850794.db2.gz OAAXJIXWOWMZHJ-ZDUSSCGKSA-N 1 0 332.404 1.618 20 5 EDBDRO CC(C)[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC[N@@H+]1C ZINC000588032329 448860583 /nfs/dbraw/zinc/86/05/83/448860583.db2.gz ICFALZKOMAOSCS-INIZCTEOSA-N 1 0 347.419 1.562 20 5 EDBDRO CCc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000574396453 448863736 /nfs/dbraw/zinc/86/37/36/448863736.db2.gz TZAZOLUSWQCJHG-NSHDSACASA-N 1 0 327.406 1.387 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592537484 448888188 /nfs/dbraw/zinc/88/81/88/448888188.db2.gz GAMUFDITLQNZQX-DGCLKSJQSA-N 1 0 347.371 1.928 20 5 EDBDRO Nc1nccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000548091710 448982908 /nfs/dbraw/zinc/98/29/08/448982908.db2.gz ZCHYQELYJJNJPM-UHFFFAOYSA-N 1 0 333.392 1.663 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588863027 448941860 /nfs/dbraw/zinc/94/18/60/448941860.db2.gz OAQSTDAKCVJRGO-NWDGAFQWSA-N 1 0 339.779 1.529 20 5 EDBDRO CC(C)Oc1nc(NC[C@@H]2CCCC[N@@H+]2CCO)ccc1[N+](=O)[O-] ZINC000582132513 449020390 /nfs/dbraw/zinc/02/03/90/449020390.db2.gz OTKULDJCLMSADX-ZDUSSCGKSA-N 1 0 338.408 2.036 20 5 EDBDRO Cn1c2cc([N+](=O)[O-])c(N3CC[C@]4(CC[N@H+](C)C4)C3)cc2n(C)c1=O ZINC000589879217 449072044 /nfs/dbraw/zinc/07/20/44/449072044.db2.gz MRFXNFWTKPTOGX-KRWDZBQOSA-N 1 0 345.403 1.317 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000589928219 449083092 /nfs/dbraw/zinc/08/30/92/449083092.db2.gz DUWMDIASJBWDFS-OCCSQVGLSA-N 1 0 339.417 1.536 20 5 EDBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1cccc([N+](=O)[O-])c1N)CCO2 ZINC000592898589 449042483 /nfs/dbraw/zinc/04/24/83/449042483.db2.gz IRINSVLSPDDILJ-UHFFFAOYSA-N 1 0 334.376 1.114 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(O)(CO)CC1 ZINC000595732309 449136839 /nfs/dbraw/zinc/13/68/39/449136839.db2.gz LWXGBBIGQIBZJL-UHFFFAOYSA-N 1 0 337.376 1.051 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000590440821 449162393 /nfs/dbraw/zinc/16/23/93/449162393.db2.gz CCUCNADQXPYDIZ-FZMZJTMJSA-N 1 0 335.360 1.145 20 5 EDBDRO CC[N@@H+]1CCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611087830 449164447 /nfs/dbraw/zinc/16/44/47/449164447.db2.gz MYGKPLMKPGXQEX-CHWSQXEVSA-N 1 0 348.403 1.266 20 5 EDBDRO COc1ccc(S(=O)(=O)NCCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000593732004 449167342 /nfs/dbraw/zinc/16/73/42/449167342.db2.gz FNQMQWMAGWDASB-UHFFFAOYSA-N 1 0 343.405 1.271 20 5 EDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC[C@@]2(O)CCOC2)c1 ZINC000593671355 449141285 /nfs/dbraw/zinc/14/12/85/449141285.db2.gz QUXNQQFPKJIFLI-CQSZACIVSA-N 1 0 332.303 1.827 20 5 EDBDRO O=C1CCCN1C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595831881 449196449 /nfs/dbraw/zinc/19/64/49/449196449.db2.gz MJPTZYSJXUUCGB-AWEZNQCLSA-N 1 0 333.388 1.918 20 5 EDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000590588460 449203497 /nfs/dbraw/zinc/20/34/97/449203497.db2.gz HNNYTBKYGYDMIR-TZMCWYRMSA-N 1 0 341.433 1.492 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c1C ZINC000590589873 449205461 /nfs/dbraw/zinc/20/54/61/449205461.db2.gz RUCBWKMKKGKVBA-STQMWFEESA-N 1 0 341.433 1.925 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000590566468 449193127 /nfs/dbraw/zinc/19/31/27/449193127.db2.gz JPTXPBRYIYYDMC-ZOWXZIJZSA-N 1 0 348.403 1.264 20 5 EDBDRO CNS(=O)(=O)c1ccc(N2CC[C@H]([NH+](C)C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000590569106 449194979 /nfs/dbraw/zinc/19/49/79/449194979.db2.gz LEGURIXNOJOVIO-PWSUYJOCSA-N 1 0 342.421 1.032 20 5 EDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000595914866 449250303 /nfs/dbraw/zinc/25/03/03/449250303.db2.gz FUCNPHIVCNYLSV-NSHDSACASA-N 1 0 344.375 1.237 20 5 EDBDRO C[C@@H](NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000595920853 449254726 /nfs/dbraw/zinc/25/47/26/449254726.db2.gz XZYCBPGCRVHBCB-PWSUYJOCSA-N 1 0 329.360 1.886 20 5 EDBDRO C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@H](C)[N@H+]1CCO ZINC000590722789 449258253 /nfs/dbraw/zinc/25/82/53/449258253.db2.gz UUPPAJIPFMZDAH-TXEJJXNPSA-N 1 0 331.376 1.429 20 5 EDBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000593882358 449260368 /nfs/dbraw/zinc/26/03/68/449260368.db2.gz IWSYYYQJMILYEE-UHFFFAOYSA-N 1 0 335.360 1.881 20 5 EDBDRO CN(CC1C[NH+](C)C1)C(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000598162041 449268129 /nfs/dbraw/zinc/26/81/29/449268129.db2.gz HIDOQSVLBMNRDJ-UHFFFAOYSA-N 1 0 339.417 1.313 20 5 EDBDRO O=[N+]([O-])c1ccc(OCCN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595869746 449221106 /nfs/dbraw/zinc/22/11/06/449221106.db2.gz YBOXOPNFWOEYFM-MRXNPFEDSA-N 1 0 335.404 1.505 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590765375 449286078 /nfs/dbraw/zinc/28/60/78/449286078.db2.gz SUMXUWHWPSIQBA-DZGCQCFKSA-N 1 0 331.372 1.720 20 5 EDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000600313685 449314384 /nfs/dbraw/zinc/31/43/84/449314384.db2.gz JGGOMEJPIMSCAF-LLVKDONJSA-N 1 0 335.360 1.785 20 5 EDBDRO CN(CC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000600315936 449315626 /nfs/dbraw/zinc/31/56/26/449315626.db2.gz XLYXAYYHXWNWAY-CQSZACIVSA-N 1 0 334.420 1.879 20 5 EDBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593912846 449281794 /nfs/dbraw/zinc/28/17/94/449281794.db2.gz RLRQDEUPIDVQFB-ZMSDIMECSA-N 1 0 347.415 1.882 20 5 EDBDRO O=C([C@@H]1C[N@@H+]2CCC[C@H]2CO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602131858 449369832 /nfs/dbraw/zinc/36/98/32/449369832.db2.gz DKWGIDMIMLXKAH-IRXDYDNUSA-N 1 0 345.399 1.949 20 5 EDBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596120115 449373322 /nfs/dbraw/zinc/37/33/22/449373322.db2.gz HLMIRFGIVXDLAJ-ZDUSSCGKSA-N 1 0 334.424 1.178 20 5 EDBDRO C[NH+](C)CCOc1cc(CNc2cc[nH]c(=O)c2[N+](=O)[O-])ccn1 ZINC000596177408 449398457 /nfs/dbraw/zinc/39/84/57/449398457.db2.gz FAINVKLNYWPDIS-UHFFFAOYSA-N 1 0 333.348 1.643 20 5 EDBDRO COc1cccc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598450666 449401071 /nfs/dbraw/zinc/40/10/71/449401071.db2.gz FNHUDRSIWGOSQW-ZDUSSCGKSA-N 1 0 349.387 1.275 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596208364 449415560 /nfs/dbraw/zinc/41/55/60/449415560.db2.gz KSAFVKHRRFNINW-LLVKDONJSA-N 1 0 342.421 1.163 20 5 EDBDRO CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000600621497 449464600 /nfs/dbraw/zinc/46/46/00/449464600.db2.gz BKOVWPKYLBQFMG-CWRNSKLLSA-N 1 0 348.403 1.670 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598665152 449527225 /nfs/dbraw/zinc/52/72/25/449527225.db2.gz SQTMRILPFLOIJO-VXGBXAGGSA-N 1 0 349.391 1.302 20 5 EDBDRO CCC[N@H+](C)CC(C)(C)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000596504352 449531890 /nfs/dbraw/zinc/53/18/90/449531890.db2.gz NRQQMXQKGGTDNV-UHFFFAOYSA-N 1 0 326.401 1.211 20 5 EDBDRO COC(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000598669937 449532569 /nfs/dbraw/zinc/53/25/69/449532569.db2.gz OHDWWMRCKYUWFV-BLLLJJGKSA-N 1 0 333.344 1.335 20 5 EDBDRO [NH3+][C@@]12CCC[C@H]1CN(CC(=O)Nc1cc3c(cc1[N+](=O)[O-])OCO3)C2 ZINC000598684767 449541897 /nfs/dbraw/zinc/54/18/97/449541897.db2.gz YPQJKAPTJAJTRX-MGPLVRAMSA-N 1 0 348.359 1.075 20 5 EDBDRO COc1nc(C)cc(C)c1C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000598650555 449518992 /nfs/dbraw/zinc/51/89/92/449518992.db2.gz UKBIWVOQOTYIAL-AWEZNQCLSA-N 1 0 349.391 1.305 20 5 EDBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000602425741 449577227 /nfs/dbraw/zinc/57/72/27/449577227.db2.gz UVIUXHMYZIMGEC-UHFFFAOYSA-N 1 0 328.166 1.793 20 5 EDBDRO COCC(=O)N1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594495217 449556670 /nfs/dbraw/zinc/55/66/70/449556670.db2.gz NWRBYJVUWNBZHW-HNNXBMFYSA-N 1 0 333.388 1.809 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+][C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598716103 449559605 /nfs/dbraw/zinc/55/96/05/449559605.db2.gz XKGZHQVNILRONZ-PWSUYJOCSA-N 1 0 327.406 1.630 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC2CC[NH2+]CC2)c(C)c1[N+](=O)[O-] ZINC000598716552 449560685 /nfs/dbraw/zinc/56/06/85/449560685.db2.gz MMXUUAUZLGFUFC-UHFFFAOYSA-N 1 0 327.406 1.490 20 5 EDBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C1 ZINC000598716584 449560807 /nfs/dbraw/zinc/56/08/07/449560807.db2.gz OBUCROHSSHMOHW-GFCCVEGCSA-N 1 0 327.406 1.442 20 5 EDBDRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000598720562 449561345 /nfs/dbraw/zinc/56/13/45/449561345.db2.gz OZUOAYVQVLPVPX-OCCSQVGLSA-N 1 0 325.390 1.238 20 5 EDBDRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000598773458 449593429 /nfs/dbraw/zinc/59/34/29/449593429.db2.gz RPDOXLAFTIHDDP-NSHDSACASA-N 1 0 334.376 1.832 20 5 EDBDRO COC(=O)COc1ccc(C[N@H+](C[C@H](C)O)C2CC2)cc1[N+](=O)[O-] ZINC000594614399 449595939 /nfs/dbraw/zinc/59/59/39/449595939.db2.gz GLHFFJLVCSSLRJ-NSHDSACASA-N 1 0 338.360 1.492 20 5 EDBDRO O=C(c1cc(NC[C@H]2COCC[NH2+]2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000600954378 449614946 /nfs/dbraw/zinc/61/49/46/449614946.db2.gz ZZHDNVGPDMSANQ-ZDUSSCGKSA-N 1 0 334.376 1.231 20 5 EDBDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000602471749 449617728 /nfs/dbraw/zinc/61/77/28/449617728.db2.gz HNODTKPYIQEWOS-DOTOQJQBSA-N 1 0 348.403 1.010 20 5 EDBDRO Cn1ncc(C2CC2)c1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000594730146 449654058 /nfs/dbraw/zinc/65/40/58/449654058.db2.gz BTKHHJDLVTVADW-ZDUSSCGKSA-N 1 0 346.387 1.735 20 5 EDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000602558538 449673431 /nfs/dbraw/zinc/67/34/31/449673431.db2.gz RUUKUQJFEPVOFT-MNOVXSKESA-N 1 0 325.390 1.180 20 5 EDBDRO CNS(=O)(=O)[C@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599060803 449714464 /nfs/dbraw/zinc/71/44/64/449714464.db2.gz ZNQVEGQIYNWBNQ-NSHDSACASA-N 1 0 336.373 1.271 20 5 EDBDRO CN(C(=O)[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1)c1ccccc1 ZINC000602642787 449724170 /nfs/dbraw/zinc/72/41/70/449724170.db2.gz NNDIRCAXCCENCK-CYBMUJFWSA-N 1 0 343.387 1.813 20 5 EDBDRO C[NH+](C)CCN1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1=O ZINC000599096668 449729589 /nfs/dbraw/zinc/72/95/89/449729589.db2.gz UTYATOPOFZIIKA-UHFFFAOYSA-N 1 0 343.387 1.353 20 5 EDBDRO Cc1cnc(NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c([N+](=O)[O-])c1 ZINC000601176049 449734133 /nfs/dbraw/zinc/73/41/33/449734133.db2.gz DYHPQUIFVMBRKR-ZDUSSCGKSA-N 1 0 333.392 1.405 20 5 EDBDRO C[C@@H]1CC[C@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000599104033 449735096 /nfs/dbraw/zinc/73/50/96/449735096.db2.gz KZRCNVKFGFIVJS-YPMHNXCESA-N 1 0 327.406 1.197 20 5 EDBDRO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000599103579 449735548 /nfs/dbraw/zinc/73/55/48/449735548.db2.gz QYRYKTXKKMDHGL-OAHLLOKOSA-N 1 0 341.433 1.397 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCN3CCCOCC3)CC2)cn1 ZINC000602661508 449736991 /nfs/dbraw/zinc/73/69/91/449736991.db2.gz CYHGAZWVIWSHBN-UHFFFAOYSA-N 1 0 349.435 1.271 20 5 EDBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602590794 449691033 /nfs/dbraw/zinc/69/10/33/449691033.db2.gz ZTLDESKJFADACK-JQWIXIFHSA-N 1 0 330.369 1.905 20 5 EDBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602590909 449691465 /nfs/dbraw/zinc/69/14/65/449691465.db2.gz KWWACEZZXJSOKA-OKILXGFUSA-N 1 0 330.388 1.771 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCN(CCc2cnccn2)CC1 ZINC000601253459 449776474 /nfs/dbraw/zinc/77/64/74/449776474.db2.gz OUQNGXQEBOWMDE-UHFFFAOYSA-N 1 0 348.794 1.798 20 5 EDBDRO CC(C)C[C@H](Nc1ccc([N+](=O)[O-])nc1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000601191442 449741649 /nfs/dbraw/zinc/74/16/49/449741649.db2.gz JBQGMISGSYIJDO-CABCVRRESA-N 1 0 349.435 1.979 20 5 EDBDRO O=C1CC[C@H]([NH+]2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)CCN1 ZINC000602681091 449747430 /nfs/dbraw/zinc/74/74/30/449747430.db2.gz JLUUIICVYRIPCN-INIZCTEOSA-N 1 0 346.431 1.424 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCO[C@H]3CC3(F)F)CC2)cn1 ZINC000602706776 449760015 /nfs/dbraw/zinc/76/00/15/449760015.db2.gz FBZOAJUBGQNQJX-ZDUSSCGKSA-N 1 0 342.346 1.972 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000602837492 449847012 /nfs/dbraw/zinc/84/70/12/449847012.db2.gz MZXAJJYCMARTCR-KRWDZBQOSA-N 1 0 330.388 1.736 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2COC3(CCC3)C2)cc1 ZINC000595032592 449845799 /nfs/dbraw/zinc/84/57/99/449845799.db2.gz NOXRJEJBDNWLCI-LBPRGKRZSA-N 1 0 340.401 1.670 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000602810448 449825612 /nfs/dbraw/zinc/82/56/12/449825612.db2.gz FVZGOPGXIVPOHH-JTQLQIEISA-N 1 0 349.313 1.100 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000602819992 449831905 /nfs/dbraw/zinc/83/19/05/449831905.db2.gz WEMMQWGWCQZWFM-CMPLNLGQSA-N 1 0 336.314 1.735 20 5 EDBDRO Cc1cc(S(=O)(=O)NCCC2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000601328812 449837136 /nfs/dbraw/zinc/83/71/36/449837136.db2.gz ZXNLEEACBCSEND-UHFFFAOYSA-N 1 0 347.462 1.975 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000602827093 449838372 /nfs/dbraw/zinc/83/83/72/449838372.db2.gz PQUUJQPGQQJUJK-OAHLLOKOSA-N 1 0 337.424 1.286 20 5 EDBDRO COc1ccc(NC(=O)CCN2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000601330912 449839638 /nfs/dbraw/zinc/83/96/38/449839638.db2.gz ZBZFAMHKFHTQCW-TXEJJXNPSA-N 1 0 334.376 1.368 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])s1 ZINC000601343726 449853870 /nfs/dbraw/zinc/85/38/70/449853870.db2.gz PZWOWQLLZZGZFB-NXEZZACHSA-N 1 0 331.419 1.337 20 5 EDBDRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000597190441 449865014 /nfs/dbraw/zinc/86/50/14/449865014.db2.gz JZUSXGRZEDXGJO-NJZAAPMLSA-N 1 0 342.417 1.318 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601356118 449868823 /nfs/dbraw/zinc/86/88/23/449868823.db2.gz HHRGHSKBKMLTKJ-GXSJLCMTSA-N 1 0 347.462 1.925 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601357789 449870811 /nfs/dbraw/zinc/87/08/11/449870811.db2.gz WUZUTVCYYBQXEU-GHMZBOCLSA-N 1 0 345.396 1.803 20 5 EDBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000601427807 449947590 /nfs/dbraw/zinc/94/75/90/449947590.db2.gz HSVXYILIQSRMOW-UHFFFAOYSA-N 1 0 333.435 1.761 20 5 EDBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000601429851 449950658 /nfs/dbraw/zinc/95/06/58/449950658.db2.gz WWXQUPJUGCQQQM-UHFFFAOYSA-N 1 0 327.406 1.700 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000595226600 449958578 /nfs/dbraw/zinc/95/85/78/449958578.db2.gz VRVFSKCDLQRXLW-DZGCQCFKSA-N 1 0 335.408 1.562 20 5 EDBDRO CN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CC[NH+](C)CC1 ZINC000609138229 449965627 /nfs/dbraw/zinc/96/56/27/449965627.db2.gz YVMPJWPYQRVCLA-UHFFFAOYSA-N 1 0 335.360 1.532 20 5 EDBDRO CCC1([NH+](C)C)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000602966954 449969732 /nfs/dbraw/zinc/96/97/32/449969732.db2.gz XAYIEGKPSAUCLB-UHFFFAOYSA-N 1 0 334.420 2.000 20 5 EDBDRO O=C(NCC12CC(C1)C[NH2+]2)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000595274345 449992715 /nfs/dbraw/zinc/99/27/15/449992715.db2.gz WCCJZQFHMJOWJY-UHFFFAOYSA-N 1 0 332.360 1.119 20 5 EDBDRO COc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000609399555 450024412 /nfs/dbraw/zinc/02/44/12/450024412.db2.gz FXCMIOIOTAZNBE-ZDUSSCGKSA-N 1 0 336.392 1.744 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000599627257 450113314 /nfs/dbraw/zinc/11/33/14/450113314.db2.gz WBVQZDPXKFOJRU-UDKBDQPSSA-N 1 0 337.376 1.943 20 5 EDBDRO COc1ccc(CC(=O)NCC23CCC[NH+]2CCC3)cc1[N+](=O)[O-] ZINC000597587746 450130239 /nfs/dbraw/zinc/13/02/39/450130239.db2.gz WADUHSGGIBHDHI-UHFFFAOYSA-N 1 0 333.388 1.891 20 5 EDBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599644076 450124618 /nfs/dbraw/zinc/12/46/18/450124618.db2.gz HVVZVLYEOGWBOY-VDISTLRHSA-N 1 0 330.344 1.946 20 5 EDBDRO COC(=O)c1cc(C(=O)N(C)CCCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000610112003 450142329 /nfs/dbraw/zinc/14/23/29/450142329.db2.gz QAFQTPWHEVWBSH-UHFFFAOYSA-N 1 0 337.376 1.795 20 5 EDBDRO CN1CCOC[C@H]1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601684429 450169175 /nfs/dbraw/zinc/16/91/75/450169175.db2.gz QJINLWKPTUUTGK-OAHLLOKOSA-N 1 0 333.388 1.463 20 5 EDBDRO C[NH+](C)C[C@@H](CO)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000597652393 450172072 /nfs/dbraw/zinc/17/20/72/450172072.db2.gz ASOWXYPZSMWSDD-JTQLQIEISA-N 1 0 327.356 1.050 20 5 EDBDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1cnn(C)c1 ZINC000610272415 450178615 /nfs/dbraw/zinc/17/86/15/450178615.db2.gz RIQJEIOMDVTORG-ABAIWWIYSA-N 1 0 329.360 1.612 20 5 EDBDRO O=C(NCC12CCC[NH+]1CCC2)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597589934 450131351 /nfs/dbraw/zinc/13/13/51/450131351.db2.gz ZBNAOIWQXAXIBD-UHFFFAOYSA-N 1 0 333.344 1.682 20 5 EDBDRO CNc1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000597697751 450205111 /nfs/dbraw/zinc/20/51/11/450205111.db2.gz ZWFVNOGGFDYVSM-HOCLYGCPSA-N 1 0 348.403 1.572 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN(C)S(C)(=O)=O ZINC000615722690 450212664 /nfs/dbraw/zinc/21/26/64/450212664.db2.gz YGUFCRBOWQBYCX-JLHYYAGUSA-N 1 0 341.433 1.869 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000619487007 450487700 /nfs/dbraw/zinc/48/77/00/450487700.db2.gz RTHPOYJYOIRPGK-GHMZBOCLSA-N 1 0 343.405 1.364 20 5 EDBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120148528 491018247 /nfs/dbraw/zinc/01/82/47/491018247.db2.gz CETFGQPTFWACOZ-CFVMTHIKSA-N 1 0 333.388 1.939 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000153180240 533876091 /nfs/dbraw/zinc/87/60/91/533876091.db2.gz YVUAUAWFFOKUJS-RYUDHWBXSA-N 1 0 329.360 1.603 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000390205093 518188041 /nfs/dbraw/zinc/18/80/41/518188041.db2.gz KDWOYFFAESXKDD-CYBMUJFWSA-N 1 0 327.406 1.570 20 5 EDBDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000159979953 534538735 /nfs/dbraw/zinc/53/87/35/534538735.db2.gz OGSDCWDBKBJLKK-GFCCVEGCSA-N 1 0 341.795 1.825 20 5 EDBDRO C[N@@H+]1CC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000248128965 536454015 /nfs/dbraw/zinc/45/40/15/536454015.db2.gz WCVFHVVWSJZHNX-NVXWUHKLSA-N 1 0 343.387 1.743 20 5 EDBDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000353484131 535289262 /nfs/dbraw/zinc/28/92/62/535289262.db2.gz QBCDHYFVGAMJRY-XPKDYRNWSA-N 1 0 347.419 1.637 20 5 EDBDRO CC[C@H]([NH2+]CCNC(=O)c1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000346796577 535902414 /nfs/dbraw/zinc/90/24/14/535902414.db2.gz QZVIIESXUKUQJX-AWEZNQCLSA-N 1 0 329.360 1.856 20 5 EDBDRO C[NH+](C)CCOc1cnccc1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000345306733 535917922 /nfs/dbraw/zinc/91/79/22/535917922.db2.gz YUKBPVNCLRJIIL-UHFFFAOYSA-N 1 0 344.371 1.860 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000351526390 535960960 /nfs/dbraw/zinc/96/09/60/535960960.db2.gz XDZKLBSUKFSQRM-SNVBAGLBSA-N 1 0 338.339 1.083 20 5 EDBDRO C[NH+](C)C[C@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246363141 535966905 /nfs/dbraw/zinc/96/69/05/535966905.db2.gz KYDRCGXZLIZHML-CJNGLKHVSA-N 1 0 332.404 1.584 20 5 EDBDRO COC(=O)c1cc(NC(=O)C2(C[NH3+])CCOCC2)cc([N+](=O)[O-])c1 ZINC000261864166 536529197 /nfs/dbraw/zinc/52/91/97/536529197.db2.gz CLHNHIIRPKYHJM-UHFFFAOYSA-N 1 0 337.332 1.075 20 5 EDBDRO CO[C@H](C[NH3+])CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000262910429 536561292 /nfs/dbraw/zinc/56/12/92/536561292.db2.gz QRACQZUKGHRXJS-HNNXBMFYSA-N 1 0 337.376 1.328 20 5 EDBDRO C[C@H](O)C[N@H+](C)C1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000729920083 578599480 /nfs/dbraw/zinc/59/94/80/578599480.db2.gz UKZIIUOMJKSASC-LBPRGKRZSA-N 1 0 333.392 1.524 20 5 EDBDRO COC(=O)/C=C\c1ccc(NC2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000729921408 578599787 /nfs/dbraw/zinc/59/97/87/578599787.db2.gz VKRNAFIPBRMZNX-HYXAFXHYSA-N 1 0 349.387 1.650 20 5 EDBDRO CNC(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000731678776 578678473 /nfs/dbraw/zinc/67/84/73/578678473.db2.gz PJIVYKMEYOHKOK-MRXNPFEDSA-N 1 0 329.356 1.778 20 5 EDBDRO CN(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732188081 578695969 /nfs/dbraw/zinc/69/59/69/578695969.db2.gz FPAMJXWDWFWZRK-LBPRGKRZSA-N 1 0 344.371 1.317 20 5 EDBDRO COc1cccc([C@H](O)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000734512519 578819782 /nfs/dbraw/zinc/81/97/82/578819782.db2.gz RKBLHYYXRDXNAS-IAGOWNOFSA-N 1 0 332.356 1.960 20 5 EDBDRO CCNC(=O)CN1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000735491224 578887957 /nfs/dbraw/zinc/88/79/57/578887957.db2.gz GEIDMAXGFPQSMZ-UHFFFAOYSA-N 1 0 340.811 1.502 20 5 EDBDRO C[N@@H+]1CCCN(CCCNc2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000748534771 579691889 /nfs/dbraw/zinc/69/18/89/579691889.db2.gz LHJCXZCVGLVKGM-UHFFFAOYSA-N 1 0 332.408 1.682 20 5 EDBDRO CCNS(=O)(=O)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774240199 580357435 /nfs/dbraw/zinc/35/74/35/580357435.db2.gz JFVFXRHUDDRODB-AWEZNQCLSA-N 1 0 327.406 1.501 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000774537401 580364799 /nfs/dbraw/zinc/36/47/99/580364799.db2.gz SWMDCEYXRNHSIN-KGLIPLIRSA-N 1 0 338.433 1.436 20 5 EDBDRO CNC(=O)[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)C ZINC000775619053 580395519 /nfs/dbraw/zinc/39/55/19/580395519.db2.gz ONFQQQRJZLQQNT-INIZCTEOSA-N 1 0 334.420 1.924 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CC4OCCO4)CC3)nc2c1 ZINC000775672491 580396854 /nfs/dbraw/zinc/39/68/54/580396854.db2.gz IBBRIQKBTYCVQL-UHFFFAOYSA-N 1 0 347.375 1.356 20 5 EDBDRO COc1ccc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000780866594 580535757 /nfs/dbraw/zinc/53/57/57/580535757.db2.gz SFLVSWQKCVNXOG-NSHDSACASA-N 1 0 343.405 1.366 20 5 EDBDRO C[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CC(C)(C)O ZINC000782004163 580563565 /nfs/dbraw/zinc/56/35/65/580563565.db2.gz HZIUIOPEELNTIY-CZUORRHYSA-N 1 0 337.420 1.405 20 5 EDBDRO CCS(=O)(=O)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000788427870 580721206 /nfs/dbraw/zinc/72/12/06/580721206.db2.gz AQQSFOVVSFMQEU-NWDGAFQWSA-N 1 0 330.410 1.299 20 5 EDBDRO CNc1c(C(=O)OC[C@@H]2C[N@@H+](C(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000793206361 580838541 /nfs/dbraw/zinc/83/85/41/580838541.db2.gz VPPIXYXFDPWPEX-LBPRGKRZSA-N 1 0 337.376 1.903 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)OCCC[NH+]1CCCC1 ZINC000800135277 581044526 /nfs/dbraw/zinc/04/45/26/581044526.db2.gz CACRSPXKKPGMAR-UHFFFAOYSA-N 1 0 332.360 1.974 20 5 EDBDRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC000893282738 590752625 /nfs/dbraw/zinc/75/26/25/590752625.db2.gz GPPCRYGMYKVKIE-JSGCOSHPSA-N 1 0 341.795 1.974 20 5 EDBDRO Cc1ccc(CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000892156673 590828240 /nfs/dbraw/zinc/82/82/40/590828240.db2.gz QUPWGUPWTIJUDO-LBPRGKRZSA-N 1 0 328.319 1.700 20 5 EDBDRO Cc1c(CC(=O)N2CCN(C)CC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000888989798 590970481 /nfs/dbraw/zinc/97/04/81/590970481.db2.gz ZLQNPJRPWSPLIQ-UHFFFAOYSA-N 1 0 334.420 1.152 20 5 EDBDRO Cc1ccc(CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000892536734 591064531 /nfs/dbraw/zinc/06/45/31/591064531.db2.gz JZSCXEZKTDEXFC-OAHLLOKOSA-N 1 0 347.419 1.092 20 5 EDBDRO O=[N+]([O-])c1cc(CO)c(N2CC[NH+](CCCCCO)CC2)cc1F ZINC000894967561 591501879 /nfs/dbraw/zinc/50/18/79/591501879.db2.gz VMYNBZAIEONGOZ-UHFFFAOYSA-N 1 0 341.383 1.511 20 5 EDBDRO C[NH+](C)CC[C@@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000895323968 591713246 /nfs/dbraw/zinc/71/32/46/591713246.db2.gz CHHLZAVIHOTYNJ-SNVBAGLBSA-N 1 0 347.462 1.838 20 5 EDBDRO CCO[C@H]1CCN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000899248431 591749049 /nfs/dbraw/zinc/74/90/49/591749049.db2.gz PZYCWJSVCNPUCK-KBPBESRZSA-N 1 0 333.344 1.338 20 5 EDBDRO O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CC2)CC1 ZINC000022500455 591890057 /nfs/dbraw/zinc/89/00/57/591890057.db2.gz NZZRFOPXQYQTEQ-UHFFFAOYSA-N 1 0 347.371 1.495 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2csc(N3CCNCC[NH2+]CC3)n2)cc1 ZINC000900368558 591998575 /nfs/dbraw/zinc/99/85/75/591998575.db2.gz GYDYSRHRGDRWGD-UHFFFAOYSA-N 1 0 333.417 1.718 20 5 EDBDRO CS(=O)(=O)c1ccc(N2CC[C@@]3(C2)CCCC[NH2+]3)c([N+](=O)[O-])c1 ZINC000900400937 592008439 /nfs/dbraw/zinc/00/84/39/592008439.db2.gz FAVVBYFWZFQKNU-OAHLLOKOSA-N 1 0 339.417 1.721 20 5 EDBDRO C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000900811599 592133225 /nfs/dbraw/zinc/13/32/25/592133225.db2.gz MBZZECWWWJVLJY-ZWNOBZJWSA-N 1 0 340.811 1.612 20 5 EDBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000903796696 592325321 /nfs/dbraw/zinc/32/53/21/592325321.db2.gz BNQIAPJMWKRFIA-KBXCAEBGSA-N 1 0 344.415 1.687 20 5 EDBDRO CN(C(=O)CN1CCC[C@@H]2CC[C@@]21C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000903800723 592327048 /nfs/dbraw/zinc/32/70/48/592327048.db2.gz YAMLHHXAFFPXMM-CXAGYDPISA-N 1 0 332.404 1.761 20 5 EDBDRO COCC[C@@H]1C[NH2+]CCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000903830836 592336011 /nfs/dbraw/zinc/33/60/11/592336011.db2.gz LZFPFMHGVOPDSJ-CQSZACIVSA-N 1 0 336.392 1.152 20 5 EDBDRO COCC[C@H]1C[NH2+]CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000903830642 592336416 /nfs/dbraw/zinc/33/64/16/592336416.db2.gz HDZJHUPHVAUABW-ZDUSSCGKSA-N 1 0 336.392 1.234 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CCN1C ZINC000906813971 592339013 /nfs/dbraw/zinc/33/90/13/592339013.db2.gz GHPJTHCJXKHDGZ-NSHDSACASA-N 1 0 335.360 1.532 20 5 EDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908204665 592381936 /nfs/dbraw/zinc/38/19/36/592381936.db2.gz SJCKWCSUDRPNPX-LLVKDONJSA-N 1 0 325.340 1.229 20 5 EDBDRO CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911775371 593002822 /nfs/dbraw/zinc/00/28/22/593002822.db2.gz SGEDCMZFMUNZFT-HOTGVXAUSA-N 1 0 332.404 1.062 20 5 EDBDRO CC[C@H]1C[N@H+](C)CCN1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000840091584 593166523 /nfs/dbraw/zinc/16/65/23/593166523.db2.gz MXTNSSVZURNWCQ-LBPRGKRZSA-N 1 0 347.375 1.395 20 5 EDBDRO CC[C@H]1C[N@H+](C)CCN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000840092508 593167304 /nfs/dbraw/zinc/16/73/04/593167304.db2.gz WINFQZOMDCWFLM-AWEZNQCLSA-N 1 0 330.392 1.837 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000808221345 593242086 /nfs/dbraw/zinc/24/20/86/593242086.db2.gz PVQDRIKKIAPIFE-AWEZNQCLSA-N 1 0 335.404 1.707 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21 ZINC000840133125 593246726 /nfs/dbraw/zinc/24/67/26/593246726.db2.gz OTHIUIAILYBTLB-HIFRSBDPSA-N 1 0 328.376 1.447 20 5 EDBDRO CN(CC1CC[NH+](C)CC1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000103462135 593303284 /nfs/dbraw/zinc/30/32/84/593303284.db2.gz JMECKVAGOYBXGK-UHFFFAOYSA-N 1 0 346.387 1.422 20 5 EDBDRO CC(C)[N@H+](C[C@@H]1CCC(=O)N1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000840187631 593367879 /nfs/dbraw/zinc/36/78/79/593367879.db2.gz VWTPMGODFCHACC-ZDUSSCGKSA-N 1 0 331.376 1.891 20 5 EDBDRO Cc1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1NC(=O)CC[NH+](C)C ZINC000839726035 593374397 /nfs/dbraw/zinc/37/43/97/593374397.db2.gz RKXIFPIGCUFDRA-TZMCWYRMSA-N 1 0 334.376 1.489 20 5 EDBDRO O=c1[nH]c(N2CC[NH+](CCCCO)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000804501622 593420203 /nfs/dbraw/zinc/42/02/03/593420203.db2.gz CTSDIJVEXOZEGL-UHFFFAOYSA-N 1 0 347.375 1.138 20 5 EDBDRO CC1(C)OC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])O1 ZINC000819155675 593741934 /nfs/dbraw/zinc/74/19/34/593741934.db2.gz PBFHURCUIFOVEG-VXGBXAGGSA-N 1 0 326.349 1.076 20 5 EDBDRO CCN(CCC[NH+](C)C)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000819931895 593777851 /nfs/dbraw/zinc/77/78/51/593777851.db2.gz VJKPGEBPRVPVQH-UHFFFAOYSA-N 1 0 335.408 1.563 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820752427 593880919 /nfs/dbraw/zinc/88/09/19/593880919.db2.gz MXWAEELEROZUFY-QPUJVOFHSA-N 1 0 330.352 1.065 20 5 EDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823980331 593900256 /nfs/dbraw/zinc/90/02/56/593900256.db2.gz LEFLXSZPCXERNK-GFCCVEGCSA-N 1 0 339.396 1.655 20 5 EDBDRO CCCC[NH+]1CCC(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821065150 593957275 /nfs/dbraw/zinc/95/72/75/593957275.db2.gz FFQDLCIUGIKQTH-UHFFFAOYSA-N 1 0 346.395 1.846 20 5 EDBDRO CCN1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1=O ZINC000824886525 594091085 /nfs/dbraw/zinc/09/10/85/594091085.db2.gz AWGJBMKBBRUGOR-AWEZNQCLSA-N 1 0 332.404 1.774 20 5 EDBDRO Cc1c(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000825197173 594146236 /nfs/dbraw/zinc/14/62/36/594146236.db2.gz UFLPTGRVKYTETC-GHMZBOCLSA-N 1 0 336.348 1.977 20 5 EDBDRO O=[N+]([O-])c1cc(-c2noc([C@@H]3CCC[NH2+]C3)n2)ccc1-n1cncn1 ZINC000823259912 594177162 /nfs/dbraw/zinc/17/71/62/594177162.db2.gz RDTSKODZOKEVPJ-LLVKDONJSA-N 1 0 341.331 1.693 20 5 EDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000827836321 594287443 /nfs/dbraw/zinc/28/74/43/594287443.db2.gz BQGJPYRPSPIEQA-NUEKZKHPSA-N 1 0 347.415 1.660 20 5 EDBDRO COC(=O)Cc1ccc(N2CC[C@@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000828248054 594374699 /nfs/dbraw/zinc/37/46/99/594374699.db2.gz AEAGUZZCFNIRNA-QGZVFWFLSA-N 1 0 333.388 1.842 20 5 EDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826635605 594544582 /nfs/dbraw/zinc/54/45/82/594544582.db2.gz QWMVIFFYVHYZED-BBRMVZONSA-N 1 0 335.404 1.819 20 5 EDBDRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000829266384 594590131 /nfs/dbraw/zinc/59/01/31/594590131.db2.gz JZCNQASYMJADOY-UHFFFAOYSA-N 1 0 347.415 1.708 20 5 EDBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c2nccn21 ZINC000832427092 594749650 /nfs/dbraw/zinc/74/96/50/594749650.db2.gz QNZYOVSYEKEHRD-WCBMZHEXSA-N 1 0 340.336 1.915 20 5 EDBDRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000840952845 594832338 /nfs/dbraw/zinc/83/23/38/594832338.db2.gz WDZCBOZRJVIKLZ-UHFFFAOYSA-N 1 0 347.824 1.963 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000841011733 594838921 /nfs/dbraw/zinc/83/89/21/594838921.db2.gz SWIRYSDJQVHZGQ-QPUJVOFHSA-N 1 0 328.756 1.828 20 5 EDBDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000841179809 594864489 /nfs/dbraw/zinc/86/44/89/594864489.db2.gz RYQYHUFVNLAPHV-LDYMZIIASA-N 1 0 340.767 1.382 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000841258065 594877284 /nfs/dbraw/zinc/87/72/84/594877284.db2.gz ZUFWUGJCAJZUKX-MRVPVSSYSA-N 1 0 348.281 1.080 20 5 EDBDRO CC(C)[NH2+]CCc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000843223306 595043033 /nfs/dbraw/zinc/04/30/33/595043033.db2.gz AGTDJWGUQAUQOQ-UHFFFAOYSA-N 1 0 347.375 1.377 20 5 EDBDRO COc1cc(Cc2noc(C[C@@H]3CCC[NH2+]3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000843226329 595044498 /nfs/dbraw/zinc/04/44/98/595044498.db2.gz ZKIGUTDJAMFAFZ-NSHDSACASA-N 1 0 348.359 1.880 20 5 EDBDRO C[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000843353754 595084134 /nfs/dbraw/zinc/08/41/34/595084134.db2.gz PAQSXCHKLSONLC-ONGXEEELSA-N 1 0 326.784 1.856 20 5 EDBDRO C[C@](C[NH3+])(NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000843355497 595085749 /nfs/dbraw/zinc/08/57/49/595085749.db2.gz FBWMIDDNWVOGTR-CQSZACIVSA-N 1 0 326.784 1.904 20 5 EDBDRO C[C@]1(F)C[NH2+]CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000843388385 595097503 /nfs/dbraw/zinc/09/75/03/595097503.db2.gz XKLSNJPCEOEXRE-AWEZNQCLSA-N 1 0 344.774 1.820 20 5 EDBDRO O=C(CN1CCC[C@H]2C[NH2+]C[C@H]21)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842472371 595113461 /nfs/dbraw/zinc/11/34/61/595113461.db2.gz HNTQGRXIGAVXEC-IINYFYTJSA-N 1 0 338.795 1.871 20 5 EDBDRO [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000842479890 595116293 /nfs/dbraw/zinc/11/62/93/595116293.db2.gz HXIISUHSHMMTNA-WCBMZHEXSA-N 1 0 333.797 1.654 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC1(C)CC[NH2+]CC1 ZINC000842481408 595117631 /nfs/dbraw/zinc/11/76/31/595117631.db2.gz IEPWNNAYXHGRHR-UHFFFAOYSA-N 1 0 347.824 1.977 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc([N+](=O)[O-])c1F ZINC000842486059 595121220 /nfs/dbraw/zinc/12/12/20/595121220.db2.gz ZKUAFKNSAWMWBI-AWEZNQCLSA-N 1 0 343.380 1.559 20 5 EDBDRO C[NH2+]C[C@@H](C)c1noc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)n1 ZINC000842577821 595131441 /nfs/dbraw/zinc/13/14/41/595131441.db2.gz RZCXRUZVAAMTRS-SECBINFHSA-N 1 0 329.320 1.548 20 5 EDBDRO C[NH2+][C@H](C)Cc1noc([C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 ZINC000842633084 595151119 /nfs/dbraw/zinc/15/11/19/595151119.db2.gz OVRCGSUUQDTJMG-NOZJJQNGSA-N 1 0 331.332 1.994 20 5 EDBDRO [NH3+]CCCCCCN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000846217770 595176570 /nfs/dbraw/zinc/17/65/70/595176570.db2.gz AJEISWCPEGBXAX-UHFFFAOYSA-N 1 0 340.449 1.933 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc([N+](=O)[O-])c1F ZINC000842762589 595191071 /nfs/dbraw/zinc/19/10/71/595191071.db2.gz HRPJLHPNWDPCTQ-AWEZNQCLSA-N 1 0 343.380 1.416 20 5 EDBDRO COc1ccc(S(=O)(=O)NCCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000842922550 595235576 /nfs/dbraw/zinc/23/55/76/595235576.db2.gz QMRMZCIWGUJVES-UHFFFAOYSA-N 1 0 331.394 1.401 20 5 EDBDRO Cc1ccccc1[C@H](O)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000843072937 595281195 /nfs/dbraw/zinc/28/11/95/595281195.db2.gz FILDBTXZRWUTIG-MAUKXSAKSA-N 1 0 346.383 1.966 20 5 EDBDRO [NH3+]CC12CCC(CC1)CN2C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000846681731 595300729 /nfs/dbraw/zinc/30/07/29/595300729.db2.gz XCDHDNKDCVKAEG-UHFFFAOYSA-N 1 0 343.387 1.674 20 5 EDBDRO C[C@]1(C(N)=O)CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848487070 595393077 /nfs/dbraw/zinc/39/30/77/595393077.db2.gz OCHMVBSIOSUHSX-INIZCTEOSA-N 1 0 329.360 1.613 20 5 EDBDRO C[C@@H](CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000850595925 595544754 /nfs/dbraw/zinc/54/47/54/595544754.db2.gz IHKSAHFRKVLQMZ-VIFPVBQESA-N 1 0 342.783 1.643 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000857767228 595600608 /nfs/dbraw/zinc/60/06/08/595600608.db2.gz AOZSQCHPEFSKSW-GFCCVEGCSA-N 1 0 345.302 1.143 20 5 EDBDRO [NH3+]CC12CC(C1)CN2C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857768772 595602460 /nfs/dbraw/zinc/60/24/60/595602460.db2.gz YRHDHLBXIAGXMM-UHFFFAOYSA-N 1 0 327.287 1.516 20 5 EDBDRO O=C(CC[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000860164862 595603074 /nfs/dbraw/zinc/60/30/74/595603074.db2.gz OLRAZCXOKNKKMJ-MWLCHTKSSA-N 1 0 337.307 1.167 20 5 EDBDRO CC[N@H+](CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C(C)C ZINC000853254154 595720886 /nfs/dbraw/zinc/72/08/86/595720886.db2.gz WHAHXIAIMDODTI-UHFFFAOYSA-N 1 0 330.410 1.384 20 5 EDBDRO CC[NH+]1CCC(N(C)C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000109270132 595811788 /nfs/dbraw/zinc/81/17/88/595811788.db2.gz JAZAEQLMLXILHH-UHFFFAOYSA-N 1 0 349.387 1.729 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)OC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000851466582 595818420 /nfs/dbraw/zinc/81/84/20/595818420.db2.gz JUANGHLHTMNKSO-HNNXBMFYSA-N 1 0 344.371 1.999 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCOC2(C[NH2+]C2)C1 ZINC000854014671 595952515 /nfs/dbraw/zinc/95/25/15/595952515.db2.gz JAKHMXRDOZPMBG-UHFFFAOYSA-N 1 0 346.387 1.009 20 5 EDBDRO CC(C)[C@H]1CN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[NH2+]1 ZINC000856490164 596004716 /nfs/dbraw/zinc/00/47/16/596004716.db2.gz XETASBOHXUWSBB-GDBMZVCRSA-N 1 0 346.387 1.544 20 5 EDBDRO C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[NH2+]1 ZINC000861525182 596014658 /nfs/dbraw/zinc/01/46/58/596014658.db2.gz QQIIDEJGDVYATQ-IUCAKERBSA-N 1 0 340.767 1.443 20 5 EDBDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000861543911 596023532 /nfs/dbraw/zinc/02/35/32/596023532.db2.gz HSZDUEBSTXKAJO-JTQLQIEISA-N 1 0 336.392 1.636 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCN(CCCF)CC1 ZINC000862111930 596241289 /nfs/dbraw/zinc/24/12/89/596241289.db2.gz TYXOYCUVZJIYQS-UHFFFAOYSA-N 1 0 349.366 1.448 20 5 EDBDRO CC1(C)CC[NH2+]CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000866700532 596299419 /nfs/dbraw/zinc/29/94/19/596299419.db2.gz ZQCQTQNXKYVTJW-UHFFFAOYSA-N 1 0 332.404 1.558 20 5 EDBDRO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000866804708 596355752 /nfs/dbraw/zinc/35/57/52/596355752.db2.gz ORWWTNWOGFKBTH-UHFFFAOYSA-N 1 0 331.369 1.497 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c([N+](=O)[O-])s1 ZINC000866822898 596365775 /nfs/dbraw/zinc/36/57/75/596365775.db2.gz JGDSRBSBGOIABY-VHSXEESVSA-N 1 0 331.419 1.480 20 5 EDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000870895046 596393809 /nfs/dbraw/zinc/39/38/09/596393809.db2.gz SKDAEDOQUXMDGZ-KDOFPFPSSA-N 1 0 348.447 1.959 20 5 EDBDRO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000871047522 596446318 /nfs/dbraw/zinc/44/63/18/596446318.db2.gz CBWRCXQHIWLIEV-DZGCQCFKSA-N 1 0 342.403 1.921 20 5 EDBDRO C[N@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863323219 596551260 /nfs/dbraw/zinc/55/12/60/596551260.db2.gz HUAVMQPFJAFMIC-BJHJDKERSA-N 1 0 329.360 1.612 20 5 EDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000869776658 596626573 /nfs/dbraw/zinc/62/65/73/596626573.db2.gz QJUOFQDIVRYWAE-CWRNSKLLSA-N 1 0 347.415 1.660 20 5 EDBDRO Cn1c(C(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)ccc1[N+](=O)[O-] ZINC000869817724 596649601 /nfs/dbraw/zinc/64/96/01/596649601.db2.gz XVDGJFFDNDGCGP-UHFFFAOYSA-N 1 0 340.383 1.891 20 5 EDBDRO [NH3+][C@@H]1CC=C(c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000863672890 596654069 /nfs/dbraw/zinc/65/40/69/596654069.db2.gz JWYJXIFJDHMMFA-GFCCVEGCSA-N 1 0 343.343 1.341 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000866212508 596829999 /nfs/dbraw/zinc/82/99/99/596829999.db2.gz GRANRNHDJWHBNS-UHFFFAOYSA-N 1 0 336.440 1.336 20 5 EDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000866351835 596864055 /nfs/dbraw/zinc/86/40/55/596864055.db2.gz RTTWDXZXMZSUIS-XBFCOCLRSA-N 1 0 326.368 1.900 20 5 EDBDRO CC[C@@H]1COCCN1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000874702872 597146649 /nfs/dbraw/zinc/14/66/49/597146649.db2.gz OXELJTUVBYKTMR-CYBMUJFWSA-N 1 0 325.340 1.575 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000873095496 597191328 /nfs/dbraw/zinc/19/13/28/597191328.db2.gz XJVSMMADVOKSDK-ZDUSSCGKSA-N 1 0 341.433 1.583 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c([N+](=O)[O-])cc1OC ZINC000874847265 597198600 /nfs/dbraw/zinc/19/86/00/597198600.db2.gz NOMNBRGBQAKTMU-STQMWFEESA-N 1 0 349.387 1.921 20 5 EDBDRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000876470742 597212409 /nfs/dbraw/zinc/21/24/09/597212409.db2.gz ZPZVPHQPMFUNFQ-INIZCTEOSA-N 1 0 337.376 1.014 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3COc4ccccc4O3)C2)c1 ZINC000876908167 597380804 /nfs/dbraw/zinc/38/08/04/597380804.db2.gz KHORPJBEJQWIBT-ORHYLEIMSA-N 1 0 330.344 1.924 20 5 EDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000876999005 597408164 /nfs/dbraw/zinc/40/81/64/597408164.db2.gz QDNNYFKEVXVZKX-AWEZNQCLSA-N 1 0 325.340 1.569 20 5 EDBDRO CCOc1cc(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c([N+](=O)[O-])cc1OC ZINC000877377901 597505178 /nfs/dbraw/zinc/50/51/78/597505178.db2.gz DUIKDYZEQBCDES-APPDUMDISA-N 1 0 349.387 1.684 20 5 EDBDRO C[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000877617867 597541973 /nfs/dbraw/zinc/54/19/73/597541973.db2.gz XUHVDHDDUNHLPW-DYALKNRASA-N 1 0 337.424 1.582 20 5 EDBDRO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H](O)CC3(O)CCCC3)CC2)c1 ZINC000877962314 597566327 /nfs/dbraw/zinc/56/63/27/597566327.db2.gz GJGXDBMXXZNFEG-KRWDZBQOSA-N 1 0 349.431 1.773 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881468773 597629097 /nfs/dbraw/zinc/62/90/97/597629097.db2.gz FKJQACYBVVIBLJ-AWEZNQCLSA-N 1 0 348.403 1.671 20 5 EDBDRO CN1CC[NH+](C2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000879593818 597649857 /nfs/dbraw/zinc/64/98/57/597649857.db2.gz ODTXNGQDAOLNBC-SFHVURJKSA-N 1 0 348.447 1.340 20 5 EDBDRO COC(=O)[C@]12CCC[C@H]1[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000880183527 597867897 /nfs/dbraw/zinc/86/78/97/597867897.db2.gz UHDDUFJTPRICOF-CJNGLKHVSA-N 1 0 335.360 1.174 20 5 EDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000133213526 597949507 /nfs/dbraw/zinc/94/95/07/597949507.db2.gz IUNLTLZKFJVKIE-CYBMUJFWSA-N 1 0 348.403 1.255 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000882727237 598034839 /nfs/dbraw/zinc/03/48/39/598034839.db2.gz PNKGOGDSYFFGTK-AWEZNQCLSA-N 1 0 337.424 1.857 20 5 EDBDRO Cc1ccc(Cn2cc(CN3CC[NH+](C)CC3)nn2)cc1[N+](=O)[O-] ZINC000881211544 598099188 /nfs/dbraw/zinc/09/91/88/598099188.db2.gz BNXXPMPQQAWOJN-UHFFFAOYSA-N 1 0 330.392 1.290 20 5 EDBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000738357571 598422381 /nfs/dbraw/zinc/42/23/81/598422381.db2.gz FQFBMDYMTRFEED-GFCCVEGCSA-N 1 0 329.364 1.449 20 5 EDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]([NH+]3CCCCC3)C2)c(-c2nn[nH]n2)c1 ZINC000738369261 598469121 /nfs/dbraw/zinc/46/91/21/598469121.db2.gz JTFSHQJIFBRLJE-LLVKDONJSA-N 1 0 344.379 1.235 20 5 EDBDRO C[C@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000194351047 696132262 /nfs/dbraw/zinc/13/22/62/696132262.db2.gz BOFCCKAPTYUQDW-LLVKDONJSA-N 1 0 345.396 1.744 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)c1ccccc1 ZINC000916632879 696690960 /nfs/dbraw/zinc/69/09/60/696690960.db2.gz BAEAEPOEWAUFDM-ZBFHGGJFSA-N 1 0 332.356 1.658 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=S)NC1CC[NH+](C)CC1 ZINC000920311071 697419008 /nfs/dbraw/zinc/41/90/08/697419008.db2.gz KLHMOZSHQBKYLX-UHFFFAOYSA-N 1 0 338.433 1.662 20 5 EDBDRO O=C(NCC1C[NH+](CCc2ccc(F)c(F)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031661819 697435744 /nfs/dbraw/zinc/43/57/44/697435744.db2.gz ITLBVSMPSKXRAT-IUODEOHRSA-N 1 0 339.342 1.221 20 5 EDBDRO O=C(Cc1c[nH]cn1)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001003701718 710495638 /nfs/dbraw/zinc/49/56/38/710495638.db2.gz WCWHAKNSHVYBCR-UHFFFAOYSA-N 1 0 343.387 1.641 20 5 EDBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1cnon1 ZINC001034757866 711011196 /nfs/dbraw/zinc/01/11/96/711011196.db2.gz DPNUQFKMVHDWTQ-JOCQHMNTSA-N 1 0 345.359 1.809 20 5 EDBDRO CC[C@H](CO)[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000179417734 529384387 /nfs/dbraw/zinc/38/43/87/529384387.db2.gz ZLVBUDAEGBSFRX-OAHLLOKOSA-N 1 0 335.404 1.361 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174202307 231148744 /nfs/dbraw/zinc/14/87/44/231148744.db2.gz BEQCNOIFXOHGDU-CQSZACIVSA-N 1 0 349.387 1.154 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000175090677 231383109 /nfs/dbraw/zinc/38/31/09/231383109.db2.gz MFNWTQXBTWOTDA-YPMHNXCESA-N 1 0 327.406 1.746 20 5 EDBDRO C[N@H+](CCCO)C1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183634201 529893699 /nfs/dbraw/zinc/89/36/99/529893699.db2.gz RMIPWQMIOSXJJF-UHFFFAOYSA-N 1 0 337.380 1.300 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000559857480 306259068 /nfs/dbraw/zinc/25/90/68/306259068.db2.gz WXQYECIUOASQHZ-NSHDSACASA-N 1 0 346.391 1.612 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000154111425 530054928 /nfs/dbraw/zinc/05/49/28/530054928.db2.gz BNUYKFAJHGVYOE-ZDUSSCGKSA-N 1 0 343.387 1.852 20 5 EDBDRO Cc1cc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc([N+](=O)[O-])c1 ZINC000178110536 232086336 /nfs/dbraw/zinc/08/63/36/232086336.db2.gz KJIHDAXOLSAFQM-CQSZACIVSA-N 1 0 333.388 1.698 20 5 EDBDRO Nc1c(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000178198998 232105297 /nfs/dbraw/zinc/10/52/97/232105297.db2.gz OPGKCOJBEVZDDW-ZDUSSCGKSA-N 1 0 348.403 1.361 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000066106100 215013628 /nfs/dbraw/zinc/01/36/28/215013628.db2.gz HOWVRQVHPWSDPQ-CYBMUJFWSA-N 1 0 325.390 1.454 20 5 EDBDRO O=C(C[C@@H]1CSCC[NH2+]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000562977876 306314391 /nfs/dbraw/zinc/31/43/91/306314391.db2.gz OJWKDISZGLIJQA-LLVKDONJSA-N 1 0 339.421 1.050 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000563129267 306319491 /nfs/dbraw/zinc/31/94/91/306319491.db2.gz IKYIRPDIOYTWIT-ZWNOBZJWSA-N 1 0 327.406 1.576 20 5 EDBDRO O=C(CC[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000089154917 138273396 /nfs/dbraw/zinc/27/33/96/138273396.db2.gz DBGIOQGFJXFFCH-HOTGVXAUSA-N 1 0 349.387 1.803 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000107620117 138304387 /nfs/dbraw/zinc/30/43/87/138304387.db2.gz LAFRMNYHWBOVFK-CQSZACIVSA-N 1 0 335.408 1.658 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NCCCC[NH+]1CCOCC1 ZINC000131759614 138365769 /nfs/dbraw/zinc/36/57/69/138365769.db2.gz QHGFYIXIZGXQTP-UHFFFAOYSA-N 1 0 339.367 1.505 20 5 EDBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000563880945 306351252 /nfs/dbraw/zinc/35/12/52/306351252.db2.gz FUAAPUKPDDDENZ-LLVKDONJSA-N 1 0 335.360 1.710 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])n1 ZINC000564729212 306364144 /nfs/dbraw/zinc/36/41/44/306364144.db2.gz HGCPJDAGDNKYQC-ZDUSSCGKSA-N 1 0 329.360 1.510 20 5 EDBDRO [NH3+]C[C@@H]1CCCN1c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000420203522 283474296 /nfs/dbraw/zinc/47/42/96/283474296.db2.gz RBRSLAQROQCCSY-LBPRGKRZSA-N 1 0 349.778 1.722 20 5 EDBDRO C[NH+](C)C[C@](C)(O)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000131501578 223240752 /nfs/dbraw/zinc/24/07/52/223240752.db2.gz FOCBVJRNNHIHHV-CQSZACIVSA-N 1 0 333.335 1.598 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000072834407 216314108 /nfs/dbraw/zinc/31/41/08/216314108.db2.gz YUSKXMUFXUXXRJ-INIZCTEOSA-N 1 0 346.431 1.900 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H](O)Cn1ccnn1)C1CC1 ZINC000414172719 304104477 /nfs/dbraw/zinc/10/44/77/304104477.db2.gz FDSHNLPNYPIHFR-LSDHHAIUSA-N 1 0 331.376 1.158 20 5 EDBDRO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414329879 304107067 /nfs/dbraw/zinc/10/70/67/304107067.db2.gz BQUXXORVHWCFNR-RYUDHWBXSA-N 1 0 336.392 1.815 20 5 EDBDRO CC[C@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1cccc([N+](=O)[O-])c1 ZINC000414346819 304109224 /nfs/dbraw/zinc/10/92/24/304109224.db2.gz GLWDPJMFWAWZGP-AWEZNQCLSA-N 1 0 346.391 1.806 20 5 EDBDRO Cc1c([C@@H](C)[NH2+]CCCCn2cc(C(N)=O)nn2)cccc1[N+](=O)[O-] ZINC000414353438 304110174 /nfs/dbraw/zinc/11/01/74/304110174.db2.gz RYQQJQXVEDYOCR-GFCCVEGCSA-N 1 0 346.391 1.725 20 5 EDBDRO COc1cc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000415047967 304154269 /nfs/dbraw/zinc/15/42/69/304154269.db2.gz ZFWWZCWLKDNSHB-RTUWITSCSA-N 1 0 343.330 1.555 20 5 EDBDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000235669662 139026266 /nfs/dbraw/zinc/02/62/66/139026266.db2.gz HWZPIAUOPBLTBY-DTWKUNHWSA-N 1 0 333.797 1.667 20 5 EDBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000236611546 139026870 /nfs/dbraw/zinc/02/68/70/139026870.db2.gz GYLUUEJYRVXJAY-CYBMUJFWSA-N 1 0 331.376 1.884 20 5 EDBDRO CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NCC[NH3+] ZINC000236675813 139028448 /nfs/dbraw/zinc/02/84/48/139028448.db2.gz GWUASHUJIURLCF-GFCCVEGCSA-N 1 0 342.783 1.078 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC000237310603 139047424 /nfs/dbraw/zinc/04/74/24/139047424.db2.gz RRPJYOHJIILQDL-LLVKDONJSA-N 1 0 336.348 1.883 20 5 EDBDRO COc1cc(C(=O)NC[C@H]([NH3+])C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000237261514 139045884 /nfs/dbraw/zinc/04/58/84/139045884.db2.gz GQSKWIKDDRTCQV-VIFPVBQESA-N 1 0 345.302 1.672 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000237326681 139048065 /nfs/dbraw/zinc/04/80/65/139048065.db2.gz BKHWRXZAUZCEHU-JQWIXIFHSA-N 1 0 343.405 1.399 20 5 EDBDRO CC[N@H+](CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000111595432 220168385 /nfs/dbraw/zinc/16/83/85/220168385.db2.gz VFBIHZRXMAFDGN-UHFFFAOYSA-N 1 0 346.387 1.896 20 5 EDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCOCC2)CC1 ZINC000081031285 217352968 /nfs/dbraw/zinc/35/29/68/217352968.db2.gz JRDKYVADFFECPX-UHFFFAOYSA-N 1 0 333.388 1.461 20 5 EDBDRO O=C(NCCCN1CC[NH2+]CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000237773842 139059930 /nfs/dbraw/zinc/05/99/30/139059930.db2.gz AIBZGXJBUYSVTG-UHFFFAOYSA-N 1 0 326.784 1.273 20 5 EDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2(O)CCOCC2)c1 ZINC000238133585 139069374 /nfs/dbraw/zinc/06/93/74/139069374.db2.gz CGWLDYVYETVNCK-UHFFFAOYSA-N 1 0 332.303 1.827 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000246253827 139101095 /nfs/dbraw/zinc/10/10/95/139101095.db2.gz SWAVCKSVRSAVHP-WFASDCNBSA-N 1 0 341.433 1.946 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415343745 304198476 /nfs/dbraw/zinc/19/84/76/304198476.db2.gz CCNHSGBTHPMZGJ-WCQYABFASA-N 1 0 348.403 1.600 20 5 EDBDRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000352234287 284650928 /nfs/dbraw/zinc/65/09/28/284650928.db2.gz JKRFOMYVYWMEDC-LBPRGKRZSA-N 1 0 329.422 1.917 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000248649603 139170206 /nfs/dbraw/zinc/17/02/06/139170206.db2.gz UNDKXPLELPTYJV-CYZMBNFOSA-N 1 0 325.390 1.261 20 5 EDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[N@H+](C)C1 ZINC000346697800 250044304 /nfs/dbraw/zinc/04/43/04/250044304.db2.gz GYXVDGZSMGDBER-RYUDHWBXSA-N 1 0 346.387 1.867 20 5 EDBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000093360837 218218835 /nfs/dbraw/zinc/21/88/35/218218835.db2.gz ARPPNICZRWWRMW-NSHDSACASA-N 1 0 337.376 1.570 20 5 EDBDRO CC(C)C[C@H](CO)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249431735 139193339 /nfs/dbraw/zinc/19/33/39/139193339.db2.gz JWEOIZMQAVHFCU-HUUCEWRRSA-N 1 0 326.393 1.673 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000415415460 304217981 /nfs/dbraw/zinc/21/79/81/304217981.db2.gz QSXFLDXRAQZYNG-LBPRGKRZSA-N 1 0 334.376 1.348 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)c1C ZINC000261629334 139212553 /nfs/dbraw/zinc/21/25/53/139212553.db2.gz BRMLXSKXJIXHJF-ZDUSSCGKSA-N 1 0 341.433 1.961 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)c1C ZINC000261629331 139212653 /nfs/dbraw/zinc/21/26/53/139212653.db2.gz BRMLXSKXJIXHJF-CYBMUJFWSA-N 1 0 341.433 1.961 20 5 EDBDRO CN(C)S(=O)(=O)c1ccc(NC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000261720635 139220329 /nfs/dbraw/zinc/22/03/29/139220329.db2.gz LVZUXEZLPRPOTE-LLVKDONJSA-N 1 0 342.421 1.257 20 5 EDBDRO C[C@]1(C[NH3+])CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000261755496 139223405 /nfs/dbraw/zinc/22/34/05/139223405.db2.gz QNUCNSKOJPYVJV-GFCCVEGCSA-N 1 0 333.797 1.608 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000261826235 139229466 /nfs/dbraw/zinc/22/94/66/139229466.db2.gz YIIGLVXAKBCHPQ-ZDUSSCGKSA-N 1 0 327.406 1.570 20 5 EDBDRO [NH3+]C1(c2noc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)n2)CCCC1 ZINC000261808308 139227810 /nfs/dbraw/zinc/22/78/10/139227810.db2.gz PQECYYKWCXOPHH-UHFFFAOYSA-N 1 0 341.331 1.954 20 5 EDBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)c([N+](=O)[O-])c1 ZINC000261809630 139227984 /nfs/dbraw/zinc/22/79/84/139227984.db2.gz ORQVDDPVWNTIBS-DOMZBBRYSA-N 1 0 336.392 1.328 20 5 EDBDRO Cc1nn(Cc2ccc(C(=O)NCC3C[NH2+]C3)cc2)c(C)c1[N+](=O)[O-] ZINC000261930424 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AXEVLXJGQMEJPK-BDJLRTHQSA-N 1 0 347.371 1.533 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NCC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415573169 304228739 /nfs/dbraw/zinc/22/87/39/304228739.db2.gz PNEVMEWVXLAADT-UHFFFAOYSA-N 1 0 334.376 1.348 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000417174284 251144441 /nfs/dbraw/zinc/14/44/41/251144441.db2.gz HYBJSCQMOIEBKA-BPNCWPANSA-N 1 0 334.376 1.482 20 5 EDBDRO C[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000262336894 139271325 /nfs/dbraw/zinc/27/13/25/139271325.db2.gz TUGRPYDECOOPEH-NXEZZACHSA-N 1 0 331.369 1.400 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262361791 139273225 /nfs/dbraw/zinc/27/32/25/139273225.db2.gz GYCWQRACIHWEHO-AWEZNQCLSA-N 1 0 343.387 1.688 20 5 EDBDRO CC[C@@H](NC(=O)N1CCCO[C@@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417859140 251300958 /nfs/dbraw/zinc/30/09/58/251300958.db2.gz VSSSWLQPTSFRHZ-LSDHHAIUSA-N 1 0 336.392 1.805 20 5 EDBDRO CC[C@H](NC(=O)N1CCCO[C@@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417859138 251301200 /nfs/dbraw/zinc/30/12/00/251301200.db2.gz VSSSWLQPTSFRHZ-GJZGRUSLSA-N 1 0 336.392 1.805 20 5 EDBDRO CC[NH2+]CCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418320372 251360486 /nfs/dbraw/zinc/36/04/86/251360486.db2.gz UPWLLTRJHPZMQA-UHFFFAOYSA-N 1 0 336.392 1.757 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000262557722 139286560 /nfs/dbraw/zinc/28/65/60/139286560.db2.gz UPAHTSMCJBYONQ-VXGBXAGGSA-N 1 0 325.390 1.133 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000419162753 251491628 /nfs/dbraw/zinc/49/16/28/251491628.db2.gz KPUHALGQUWXUAG-JSGCOSHPSA-N 1 0 334.376 1.030 20 5 EDBDRO [NH3+]CCCNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000420145007 251614456 /nfs/dbraw/zinc/61/44/56/251614456.db2.gz MWNKRJSXGDCNIK-UHFFFAOYSA-N 1 0 342.421 1.530 20 5 EDBDRO CC[NH2+]CCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000420166980 251627742 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VRYVEBPHOGKYDF-ZDUSSCGKSA-N 1 0 333.388 1.964 20 5 EDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000262917077 139312572 /nfs/dbraw/zinc/31/25/72/139312572.db2.gz ZADFOOCZMMMCRG-NWDGAFQWSA-N 1 0 329.360 1.603 20 5 EDBDRO Cn1cc([C@@H]2CN(CCOc3ccccc3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000424295612 252192879 /nfs/dbraw/zinc/19/28/79/252192879.db2.gz PVBPKRMSCBNRIW-UONOGXRCSA-N 1 0 331.376 1.134 20 5 EDBDRO CCCN(CCN1CC[NH+](CC)CC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000426159558 252318737 /nfs/dbraw/zinc/31/87/37/252318737.db2.gz FWWVAHGYJGICLO-UHFFFAOYSA-N 1 0 338.408 1.678 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000415659204 304250005 /nfs/dbraw/zinc/25/00/05/304250005.db2.gz ONOFSTIATSHWNJ-GFCCVEGCSA-N 1 0 338.364 1.494 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(O)(C(F)F)CC2)c1 ZINC000426249766 254486853 /nfs/dbraw/zinc/48/68/53/254486853.db2.gz QUYJZOJDHPDBDC-GFCCVEGCSA-N 1 0 346.330 1.427 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449191185 254640660 /nfs/dbraw/zinc/64/06/60/254640660.db2.gz OGUWDDLULHUNKE-ZIAGYGMSSA-N 1 0 333.388 1.822 20 5 EDBDRO C[NH+](C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1F ZINC000458275380 254902733 /nfs/dbraw/zinc/90/27/33/254902733.db2.gz NMVTXRWDPLSRBY-UHFFFAOYSA-N 1 0 337.311 1.650 20 5 EDBDRO COCCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCOC1 ZINC000490073092 255077419 /nfs/dbraw/zinc/07/74/19/255077419.db2.gz OXYUICQQZUQXST-CQSZACIVSA-N 1 0 337.376 1.579 20 5 EDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000493498925 255212299 /nfs/dbraw/zinc/21/22/99/255212299.db2.gz RZEOFBUHYOBFOG-ZPIQOJFGSA-N 1 0 333.388 1.571 20 5 EDBDRO C[N@@H+](Cc1cccc2[nH]ccc21)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000493997931 255230679 /nfs/dbraw/zinc/23/06/79/255230679.db2.gz BQMNHGVYNAKWGH-CQSZACIVSA-N 1 0 329.360 1.766 20 5 EDBDRO COC(=O)[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000493249783 255199565 /nfs/dbraw/zinc/19/95/65/255199565.db2.gz CNAOPHIRNHOQLK-AFNCTOJWSA-N 1 0 347.371 1.171 20 5 EDBDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000495544352 255298164 /nfs/dbraw/zinc/29/81/64/255298164.db2.gz UVWKAMZYSCCJHV-NWDGAFQWSA-N 1 0 339.396 1.675 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cccc(-n3ccnc3)c2)c1 ZINC000570445127 306542519 /nfs/dbraw/zinc/54/25/19/306542519.db2.gz XRQYQKWWMCXYGI-INIZCTEOSA-N 1 0 342.359 1.128 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000118132431 221128580 /nfs/dbraw/zinc/12/85/80/221128580.db2.gz FGWXLVYDIMCBKS-UHFFFAOYSA-N 1 0 348.403 1.832 20 5 EDBDRO Cn1cc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000264149885 139383140 /nfs/dbraw/zinc/38/31/40/139383140.db2.gz ZTACIFMYFWQSDH-NVXWUHKLSA-N 1 0 346.387 1.905 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415835786 304279607 /nfs/dbraw/zinc/27/96/07/304279607.db2.gz DJLHCXSFCVLQPP-BDJLRTHQSA-N 1 0 334.376 1.285 20 5 EDBDRO C[C@H]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000415842685 304280037 /nfs/dbraw/zinc/28/00/37/304280037.db2.gz HVKIFTKAKMVQHC-VHSXEESVSA-N 1 0 338.339 1.116 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415849070 304281426 /nfs/dbraw/zinc/28/14/26/304281426.db2.gz MIXZOIUIVSBIRL-ZWNOBZJWSA-N 1 0 348.403 1.593 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000152997506 533311822 /nfs/dbraw/zinc/31/18/22/533311822.db2.gz HFRBWVSBPZMRNT-UHFFFAOYSA-N 1 0 348.403 1.703 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000266319220 139529362 /nfs/dbraw/zinc/52/93/62/139529362.db2.gz QCZUAQYOXNTUMP-AWEZNQCLSA-N 1 0 349.387 1.729 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000353489580 291993705 /nfs/dbraw/zinc/99/37/05/291993705.db2.gz OZUYDHBVATVSAC-NWDGAFQWSA-N 1 0 327.406 1.583 20 5 EDBDRO CC1(C)C[C@@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C(=O)O1 ZINC000269894807 140014138 /nfs/dbraw/zinc/01/41/38/140014138.db2.gz DZBNNNCFJVWHOO-LLVKDONJSA-N 1 0 344.327 1.604 20 5 EDBDRO C[N@H+](CCCO)C1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000270383170 140089891 /nfs/dbraw/zinc/08/98/91/140089891.db2.gz PVLZDBWIAUFTHD-UHFFFAOYSA-N 1 0 339.367 1.653 20 5 EDBDRO C[N@H+](CCCO)C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000270397543 140092434 /nfs/dbraw/zinc/09/24/34/140092434.db2.gz URDGGUOWUQOMPX-UHFFFAOYSA-N 1 0 327.406 1.575 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000270844295 140181207 /nfs/dbraw/zinc/18/12/07/140181207.db2.gz VZBQAJNFFIGOCL-UHFFFAOYSA-N 1 0 329.360 1.147 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271743047 140342912 /nfs/dbraw/zinc/34/29/12/140342912.db2.gz WTZOVGPQFBFYOI-KBPBESRZSA-N 1 0 349.435 1.591 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000272934710 140534109 /nfs/dbraw/zinc/53/41/09/140534109.db2.gz VZWLXSBAYHZIGZ-KBPBESRZSA-N 1 0 340.767 1.129 20 5 EDBDRO COc1cc(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000330549984 140874911 /nfs/dbraw/zinc/87/49/11/140874911.db2.gz RPZLWCVDSKKZTE-OCCSQVGLSA-N 1 0 339.417 1.721 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(CCOc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000339387147 142033756 /nfs/dbraw/zinc/03/37/56/142033756.db2.gz FRJSWPGTWPWQOG-IRXDYDNUSA-N 1 0 335.404 1.769 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000339616477 142095487 /nfs/dbraw/zinc/09/54/87/142095487.db2.gz BBAORBMRQIJAGH-VXGBXAGGSA-N 1 0 336.392 1.566 20 5 EDBDRO Cn1nccc1[C@@H]1[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCC(=O)N1C ZINC000343440485 142845068 /nfs/dbraw/zinc/84/50/68/142845068.db2.gz OGBYWQSVWAQPGE-ABAIWWIYSA-N 1 0 349.416 1.842 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3C[C@@H]4CC[C@@H](O)[C@H]4C3)o2)cc1 ZINC000344026458 142919293 /nfs/dbraw/zinc/91/92/93/142919293.db2.gz JWLVDOSJZIBZDO-FPMFFAJLSA-N 1 0 330.344 1.848 20 5 EDBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCCNc1cc[nH+]cc1 ZINC000344697690 143000157 /nfs/dbraw/zinc/00/01/57/143000157.db2.gz XOVUPAYWJZQTDW-UHFFFAOYSA-N 1 0 339.355 1.595 20 5 EDBDRO CO[C@H]1C[C@H](CO)[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000344704537 143000889 /nfs/dbraw/zinc/00/08/89/143000889.db2.gz HOCKYWXICYTYNR-KGLIPLIRSA-N 1 0 337.376 1.313 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000345013295 143039350 /nfs/dbraw/zinc/03/93/50/143039350.db2.gz QRPXBLMHNNWHFM-SLEUVZQESA-N 1 0 348.403 1.312 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000345396271 143086117 /nfs/dbraw/zinc/08/61/17/143086117.db2.gz HLIIIGWLOSOJQC-UHFFFAOYSA-N 1 0 326.372 1.347 20 5 EDBDRO CO[C@H]1C[C@H](CN(C)C(=O)NCc2ccccc2[N+](=O)[O-])[N@H+](C)C1 ZINC000346044522 143161090 /nfs/dbraw/zinc/16/10/90/143161090.db2.gz SFCMBKYXCMQMDY-KGLIPLIRSA-N 1 0 336.392 1.455 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346259933 143184498 /nfs/dbraw/zinc/18/44/98/143184498.db2.gz KGHSPBUSCBNWEI-UMVBOHGHSA-N 1 0 349.435 1.679 20 5 EDBDRO C[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C(N)=O ZINC000346585808 143219273 /nfs/dbraw/zinc/21/92/73/143219273.db2.gz MEWMKQIEDMPBTB-JOYOIKCWSA-N 1 0 331.332 1.198 20 5 EDBDRO CO[C@H]1C[C@H](CN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2)[N@H+](C)C1 ZINC000346620143 143222736 /nfs/dbraw/zinc/22/27/36/143222736.db2.gz MFCGDDAOQCYTIH-CABCVRRESA-N 1 0 336.392 1.455 20 5 EDBDRO CO[C@@H]1C[C@@H](CN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2N)[N@H+](C)C1 ZINC000346703139 143234690 /nfs/dbraw/zinc/23/46/90/143234690.db2.gz VUEWSKJNFFUKAG-WDEREUQCSA-N 1 0 340.355 1.107 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(-c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)n1 ZINC000346793126 143246262 /nfs/dbraw/zinc/24/62/62/143246262.db2.gz FABMQFIQUOMYKN-ONGXEEELSA-N 1 0 334.336 1.397 20 5 EDBDRO CC1=CC[N@H+](CCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000347242588 143299338 /nfs/dbraw/zinc/29/93/38/143299338.db2.gz JHNCATFMZICUEK-UHFFFAOYSA-N 1 0 332.404 1.799 20 5 EDBDRO CC[C@@H]1CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000348062527 143396607 /nfs/dbraw/zinc/39/66/07/143396607.db2.gz ZASMSKYPKWJFDP-BXUZGUMPSA-N 1 0 327.406 1.651 20 5 EDBDRO C[C@H](CC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000349953240 143522888 /nfs/dbraw/zinc/52/28/88/143522888.db2.gz UJWQXNYEZRDIIW-ZJUUUORDSA-N 1 0 340.405 1.114 20 5 EDBDRO Cc1nn(C)c(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000369769581 155169287 /nfs/dbraw/zinc/16/92/87/155169287.db2.gz AGUAABBNXIPPQI-KGLIPLIRSA-N 1 0 343.387 1.464 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CSC[C@@H]1C ZINC000352818009 149180056 /nfs/dbraw/zinc/18/00/56/149180056.db2.gz SGYZNHTWUCNXNF-CABZTGNLSA-N 1 0 325.390 1.883 20 5 EDBDRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000353096171 149285041 /nfs/dbraw/zinc/28/50/41/149285041.db2.gz MQDJZULGZDVJLE-AWEZNQCLSA-N 1 0 327.406 1.499 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)[C@@H]2C1 ZINC000355358565 150231621 /nfs/dbraw/zinc/23/16/21/150231621.db2.gz BMKIWUSWPKVFEG-HZPDHXFCSA-N 1 0 333.388 1.838 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000355386478 150246398 /nfs/dbraw/zinc/24/63/98/150246398.db2.gz RDYPOMZPZIISTM-HOTGVXAUSA-N 1 0 333.388 1.459 20 5 EDBDRO [NH3+]C1(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])CCCCCC1 ZINC000573681970 306629601 /nfs/dbraw/zinc/62/96/01/306629601.db2.gz GKOMWYZDFHHIIT-UHFFFAOYSA-N 1 0 328.394 1.320 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H](C)C[NH+](C)C ZINC000355728152 150377977 /nfs/dbraw/zinc/37/79/77/150377977.db2.gz DOYXMWTUYLCKIT-CMPLNLGQSA-N 1 0 340.428 1.141 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](CCO)C2)cc1[N+](=O)[O-] ZINC000355777913 150397186 /nfs/dbraw/zinc/39/71/86/150397186.db2.gz YIUYMWULAYDPEJ-LBPRGKRZSA-N 1 0 338.360 1.351 20 5 EDBDRO COc1ccc(C(=O)N2CC[C@H]([N@H+](C)CCO)[C@H]2C)cc1[N+](=O)[O-] ZINC000356053051 150487904 /nfs/dbraw/zinc/48/79/04/150487904.db2.gz WEZIYSWADRDRBQ-YPMHNXCESA-N 1 0 337.376 1.131 20 5 EDBDRO COc1cc(C(=O)N2CC[N@H+](C)CC[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000357190503 286195432 /nfs/dbraw/zinc/19/54/32/286195432.db2.gz RSNWAOVXBISFSW-LLVKDONJSA-N 1 0 337.376 1.778 20 5 EDBDRO O=C(CN1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000357072786 150913172 /nfs/dbraw/zinc/91/31/72/150913172.db2.gz HPPKOCRPNJXIQK-WDEREUQCSA-N 1 0 338.795 1.728 20 5 EDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360560896 152095619 /nfs/dbraw/zinc/09/56/19/152095619.db2.gz HEFJTHUQCZMAKE-CQSZACIVSA-N 1 0 325.390 1.110 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000360567721 152101121 /nfs/dbraw/zinc/10/11/21/152101121.db2.gz HCILSYCEROCDAI-KRWDZBQOSA-N 1 0 346.387 1.578 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000123252248 286351456 /nfs/dbraw/zinc/35/14/56/286351456.db2.gz SKRQEOWJUMAEKE-GHMZBOCLSA-N 1 0 329.378 1.152 20 5 EDBDRO Cc1c(C(=O)N[C@H]2CCC[NH2+]CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000364170521 153163058 /nfs/dbraw/zinc/16/30/58/153163058.db2.gz HWEVKAZBOLFITA-LBPRGKRZSA-N 1 0 344.375 1.356 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000364781111 153331443 /nfs/dbraw/zinc/33/14/43/153331443.db2.gz FYJYQZALJMMCPF-CZUORRHYSA-N 1 0 335.360 1.699 20 5 EDBDRO Cc1nnc2n1C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000365808115 153627420 /nfs/dbraw/zinc/62/74/20/153627420.db2.gz YIFVMVSCPDMXBE-LLVKDONJSA-N 1 0 332.320 1.508 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000366590220 153862179 /nfs/dbraw/zinc/86/21/79/153862179.db2.gz GUOYSIUREYKXNP-DGCLKSJQSA-N 1 0 335.360 1.193 20 5 EDBDRO O=C(C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000367456589 154131082 /nfs/dbraw/zinc/13/10/82/154131082.db2.gz CGNVXIQRDVOJOH-LRDDRELGSA-N 1 0 332.360 1.180 20 5 EDBDRO Cc1nnc(N2CCC([NH2+]CCn3cc([N+](=O)[O-])cn3)CC2)s1 ZINC000367818854 154282636 /nfs/dbraw/zinc/28/26/36/154282636.db2.gz KEBQHDJEEAJRHF-UHFFFAOYSA-N 1 0 337.409 1.210 20 5 EDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)Cn1ccnn1)CCCC2 ZINC000417360844 304394918 /nfs/dbraw/zinc/39/49/18/304394918.db2.gz KHFTVZQCIGAZGA-ZBFHGGJFSA-N 1 0 331.376 1.605 20 5 EDBDRO CCN1C(=O)[C@H]2CN([C@@H](C)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000369450693 155040230 /nfs/dbraw/zinc/04/02/30/155040230.db2.gz FSEZGALULFRQED-SMDDNHRTSA-N 1 0 332.360 1.624 20 5 EDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c1 ZINC000374070459 157130076 /nfs/dbraw/zinc/13/00/76/157130076.db2.gz TZTKZZROOCUMPH-GVDBMIGSSA-N 1 0 336.388 1.835 20 5 EDBDRO COc1ccc(NC(=O)C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000374412100 157282215 /nfs/dbraw/zinc/28/22/15/157282215.db2.gz PTDDJWUDLHCJDB-STQMWFEESA-N 1 0 349.387 1.900 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000374438790 157290702 /nfs/dbraw/zinc/29/07/02/157290702.db2.gz SLAGRLRUDPUMQM-MRXNPFEDSA-N 1 0 333.388 1.964 20 5 EDBDRO CN(CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000374625696 157350062 /nfs/dbraw/zinc/35/00/62/157350062.db2.gz CHMVNKHAXAXIDB-IHRRRGAJSA-N 1 0 332.404 1.617 20 5 EDBDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000351520461 286622582 /nfs/dbraw/zinc/62/25/82/286622582.db2.gz FGGRHAIYDGQSPY-KGLIPLIRSA-N 1 0 327.406 1.545 20 5 EDBDRO Cn1cc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000375812527 157664577 /nfs/dbraw/zinc/66/45/77/157664577.db2.gz YAFWSOXMIXMUQH-PHZGNYQRSA-N 1 0 328.372 1.977 20 5 EDBDRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000050679618 287219836 /nfs/dbraw/zinc/21/98/36/287219836.db2.gz XZBBVGNDNLDMER-UHFFFAOYSA-N 1 0 348.403 1.221 20 5 EDBDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc([N+](=O)[O-])o1 ZINC000160723666 225461264 /nfs/dbraw/zinc/46/12/64/225461264.db2.gz HEIMUZZCTXYHQF-QWHCGFSZSA-N 1 0 337.376 1.686 20 5 EDBDRO CNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000121795625 221936236 /nfs/dbraw/zinc/93/62/36/221936236.db2.gz GETKEHRMKRTQHI-ZDUSSCGKSA-N 1 0 334.420 1.764 20 5 EDBDRO C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000122478956 222096459 /nfs/dbraw/zinc/09/64/59/222096459.db2.gz NQCQWKZVGOYOJU-LBPRGKRZSA-N 1 0 334.376 1.381 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000122603443 222122086 /nfs/dbraw/zinc/12/20/86/222122086.db2.gz AZTZWHKTNFPWDD-SNVBAGLBSA-N 1 0 347.824 1.868 20 5 EDBDRO Cc1sc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000122667231 222133666 /nfs/dbraw/zinc/13/36/66/222133666.db2.gz QWYYEOXWQKRMSM-UHFFFAOYSA-N 1 0 333.435 1.679 20 5 EDBDRO C[NH+](C)CCN1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000192744622 272985541 /nfs/dbraw/zinc/98/55/41/272985541.db2.gz HMYANISAAYQWHR-VMPITWQZSA-N 1 0 332.404 1.314 20 5 EDBDRO C[C@H]1CCC[C@](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000193448213 272993540 /nfs/dbraw/zinc/99/35/40/272993540.db2.gz QNCDHZRCSOCORI-ZBEGNZNMSA-N 1 0 336.392 1.936 20 5 EDBDRO CC(C)COC[C@@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000192989370 267835123 /nfs/dbraw/zinc/83/51/23/267835123.db2.gz JXFABSUWPLTFBF-KRWDZBQOSA-N 1 0 337.420 1.750 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000273486617 268050657 /nfs/dbraw/zinc/05/06/57/268050657.db2.gz VTQVRHBYQGODHW-UHFFFAOYSA-N 1 0 334.420 1.499 20 5 EDBDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000275325393 268323524 /nfs/dbraw/zinc/32/35/24/268323524.db2.gz QGNTYURKSOXKNP-WFASDCNBSA-N 1 0 334.380 1.261 20 5 EDBDRO CNC(=O)c1ccn([C@@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000275581988 268363802 /nfs/dbraw/zinc/36/38/02/268363802.db2.gz PBFLFLVTSXYEPJ-CQSZACIVSA-N 1 0 343.387 1.988 20 5 EDBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000276612271 268451417 /nfs/dbraw/zinc/45/14/17/268451417.db2.gz SUBOQDLFWQPKTB-UPJWGTAASA-N 1 0 340.376 1.512 20 5 EDBDRO Cc1nn(C)c(-c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)c1[N+](=O)[O-] ZINC000274147559 273072570 /nfs/dbraw/zinc/07/25/70/273072570.db2.gz YNDBNFNPPHCJSW-ZJUUUORDSA-N 1 0 334.336 1.222 20 5 EDBDRO Cc1nn(C)c(C(=O)Nc2ccccc2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000275682027 273119102 /nfs/dbraw/zinc/11/91/02/273119102.db2.gz QFPHBHVNYNBAOA-UHFFFAOYSA-N 1 0 331.376 1.993 20 5 EDBDRO CCN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276066015 273146035 /nfs/dbraw/zinc/14/60/35/273146035.db2.gz LLLHBIQTXVEARR-GFCCVEGCSA-N 1 0 327.406 1.895 20 5 EDBDRO Nc1nc(NC2CC[NH+](Cc3cccnc3)CC2)ncc1[N+](=O)[O-] ZINC000278485173 273263984 /nfs/dbraw/zinc/26/39/84/273263984.db2.gz GIJVYJSVIFUDCA-UHFFFAOYSA-N 1 0 329.364 1.439 20 5 EDBDRO Cc1cc(OCC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000280566327 273372012 /nfs/dbraw/zinc/37/20/12/273372012.db2.gz OHDMPJDALSFHQU-ZDUSSCGKSA-N 1 0 333.388 1.883 20 5 EDBDRO COC(=O)c1cc(C(=O)NC2(C[NH+](C)C)CCC2)cc([N+](=O)[O-])c1 ZINC000281051952 273430089 /nfs/dbraw/zinc/43/00/89/273430089.db2.gz KGTQEMILYKDYEC-UHFFFAOYSA-N 1 0 335.360 1.596 20 5 EDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1([S@](C)=O)CC1 ZINC000282485935 273661447 /nfs/dbraw/zinc/66/14/47/273661447.db2.gz XFUFKZKSPFCSOG-RULNZOCKSA-N 1 0 339.417 1.813 20 5 EDBDRO CC[C@H]([NH2+]CCn1cc(C(=O)OC)nn1)c1cccc([N+](=O)[O-])c1 ZINC000284428663 274198328 /nfs/dbraw/zinc/19/83/28/274198328.db2.gz RSYRHTMHFOGIBF-ZDUSSCGKSA-N 1 0 333.348 1.714 20 5 EDBDRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC(=O)N1C ZINC000284448958 274206258 /nfs/dbraw/zinc/20/62/58/274206258.db2.gz GGTKPEPZQDMAPX-RHSMWYFYSA-N 1 0 343.387 1.780 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000284533036 274236049 /nfs/dbraw/zinc/23/60/49/274236049.db2.gz ADBGBLQUHBOQST-ZIAGYGMSSA-N 1 0 345.359 1.016 20 5 EDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@](O)(Cn3ccnn3)C2)c1 ZINC000284606943 274262070 /nfs/dbraw/zinc/26/20/70/274262070.db2.gz QGQXOCIECUOLGG-MRXNPFEDSA-N 1 0 347.375 1.092 20 5 EDBDRO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000284699499 274299020 /nfs/dbraw/zinc/29/90/20/274299020.db2.gz QOJMMOFXDDEBFJ-IRXDYDNUSA-N 1 0 347.415 1.849 20 5 EDBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000340556029 276098149 /nfs/dbraw/zinc/09/81/49/276098149.db2.gz JYPVUOCTUIPWRI-UHFFFAOYSA-N 1 0 325.413 1.618 20 5 EDBDRO CCOC(=O)c1ccnc(N2CCC[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000420243217 276300642 /nfs/dbraw/zinc/30/06/42/276300642.db2.gz CLIUORHRNDWYOJ-MRXNPFEDSA-N 1 0 334.376 1.746 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000332348357 277151928 /nfs/dbraw/zinc/15/19/28/277151928.db2.gz YWABBUVAGRXVTE-STQMWFEESA-N 1 0 339.779 1.793 20 5 EDBDRO CO[C@H]1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000359050684 277340284 /nfs/dbraw/zinc/34/02/84/277340284.db2.gz DTKUBBFBVLQQJD-OLZOCXBDSA-N 1 0 336.392 1.280 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c1C ZINC000237557057 278744963 /nfs/dbraw/zinc/74/49/63/278744963.db2.gz SRRZSZHXMUQDED-YGRLFVJLSA-N 1 0 341.433 1.960 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000359088656 280398813 /nfs/dbraw/zinc/39/88/13/280398813.db2.gz ADNMEINXJAHXOY-CQSZACIVSA-N 1 0 347.419 1.349 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365295214 280656009 /nfs/dbraw/zinc/65/60/09/280656009.db2.gz KXFFDSKVPAYYPX-JSGCOSHPSA-N 1 0 339.417 1.584 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000359519224 289135464 /nfs/dbraw/zinc/13/54/64/289135464.db2.gz VEZYROOMKXOASP-UHFFFAOYSA-N 1 0 337.424 1.912 20 5 EDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292225328 289293416 /nfs/dbraw/zinc/29/34/16/289293416.db2.gz VGDHETGXSDMEAM-DYVFJYSZSA-N 1 0 332.404 1.949 20 5 EDBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000422869363 295256882 /nfs/dbraw/zinc/25/68/82/295256882.db2.gz WHUHBGZDWYSGTO-GXTWGEPZSA-N 1 0 348.403 1.289 20 5 EDBDRO [NH3+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000158171530 295302363 /nfs/dbraw/zinc/30/23/63/295302363.db2.gz URLJGEVUHWGLAL-MRVPVSSYSA-N 1 0 328.166 1.921 20 5 EDBDRO C[C@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000420282633 304743242 /nfs/dbraw/zinc/74/32/42/304743242.db2.gz BTLFJOPOCVVYMK-RYUDHWBXSA-N 1 0 327.406 1.051 20 5 EDBDRO C[C@@H]1[C@H]([NH3+])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000420424947 304756975 /nfs/dbraw/zinc/75/69/75/304756975.db2.gz IKPBIFDXGVZTLE-MWLCHTKSSA-N 1 0 336.373 1.253 20 5 EDBDRO [NH3+]CC1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000420400955 304755671 /nfs/dbraw/zinc/75/56/71/304755671.db2.gz FTETWIDYUOBAQV-UHFFFAOYSA-N 1 0 327.406 1.138 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000420451979 304760678 /nfs/dbraw/zinc/76/06/78/304760678.db2.gz RVJQNTVUCMYWTJ-LLVKDONJSA-N 1 0 349.384 1.394 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000420472871 304762840 /nfs/dbraw/zinc/76/28/40/304762840.db2.gz SYVGNVPRBQYZTH-DGCLKSJQSA-N 1 0 327.406 1.532 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261907641 302046405 /nfs/dbraw/zinc/04/64/05/302046405.db2.gz PQTTZMFIQTWNBB-XQQFMLRXSA-N 1 0 339.417 1.651 20 5 EDBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)C2)C1 ZINC000293888575 303034173 /nfs/dbraw/zinc/03/41/73/303034173.db2.gz GFTOORSUHOHIAK-KRWDZBQOSA-N 1 0 347.371 1.881 20 5 EDBDRO COc1cc(C(=O)Nc2ccnn2CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000293954089 303043811 /nfs/dbraw/zinc/04/38/11/303043811.db2.gz DOJOAEVBVSKZRF-UHFFFAOYSA-N 1 0 333.348 1.614 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295011635 303162655 /nfs/dbraw/zinc/16/26/55/303162655.db2.gz PIHNNKHAJRLDHO-UHFFFAOYSA-N 1 0 349.309 1.658 20 5 EDBDRO C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)O1 ZINC000295218892 303190361 /nfs/dbraw/zinc/19/03/61/303190361.db2.gz QTPFYSBZHCQEHN-GRYCIOLGSA-N 1 0 343.405 1.029 20 5 EDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295634711 303245356 /nfs/dbraw/zinc/24/53/56/303245356.db2.gz ALPNGQNQTXKUAP-XVJNWHFHSA-N 1 0 333.388 1.571 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000295824831 303272586 /nfs/dbraw/zinc/27/25/86/303272586.db2.gz VOWBKMYVTSMSMX-QWRGUYRKSA-N 1 0 325.365 1.539 20 5 EDBDRO CC[NH+]1CCN([C@H](C)CNc2ccc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000301507763 303681816 /nfs/dbraw/zinc/68/18/16/303681816.db2.gz HMNMVRXXEAQFRJ-GFCCVEGCSA-N 1 0 335.408 1.132 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000367830242 303838970 /nfs/dbraw/zinc/83/89/70/303838970.db2.gz BCHOOXVQJOGLIQ-CYBMUJFWSA-N 1 0 341.389 1.024 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000378018502 304805449 /nfs/dbraw/zinc/80/54/49/304805449.db2.gz UXZPCTXZVPXWEK-VHSXEESVSA-N 1 0 345.808 1.478 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261742494 304809509 /nfs/dbraw/zinc/80/95/09/304809509.db2.gz OFNBEXILOKJACQ-CYBMUJFWSA-N 1 0 339.417 1.748 20 5 EDBDRO COc1cc(CCNC(=O)CC2(C[NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000422937927 304880592 /nfs/dbraw/zinc/88/05/92/304880592.db2.gz DHIDMQMWZDHCJF-UHFFFAOYSA-N 1 0 337.376 1.400 20 5 EDBDRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000423667018 304903728 /nfs/dbraw/zinc/90/37/28/304903728.db2.gz KFDIYFSHYPKDDD-QMTHXVAHSA-N 1 0 329.360 1.557 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428044764 305005410 /nfs/dbraw/zinc/00/54/10/305005410.db2.gz VJDWQYJPKYFBSN-SCRDCRAPSA-N 1 0 348.403 1.614 20 5 EDBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000428633316 305013504 /nfs/dbraw/zinc/01/35/04/305013504.db2.gz ZNZMDBXRFPULSK-PBWFPOADSA-N 1 0 346.387 1.114 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC([NH3+])(CC)CC ZINC000429642857 305033748 /nfs/dbraw/zinc/03/37/48/305033748.db2.gz ILCQSSJBAHYARV-LLVKDONJSA-N 1 0 340.428 1.461 20 5 EDBDRO COCC[C@]1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000429694455 305035299 /nfs/dbraw/zinc/03/52/99/305035299.db2.gz BNNICLQVJCYLJG-MRXNPFEDSA-N 1 0 336.392 1.139 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000430611352 305058685 /nfs/dbraw/zinc/05/86/85/305058685.db2.gz NUSYWIAOOJVIPL-LBPRGKRZSA-N 1 0 336.392 1.745 20 5 EDBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000430834533 305065505 /nfs/dbraw/zinc/06/55/05/305065505.db2.gz XUTZECORIYBWQK-KGLIPLIRSA-N 1 0 337.424 1.808 20 5 EDBDRO COc1ccc(NC(=O)CN2CCC3(CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000431039605 305073508 /nfs/dbraw/zinc/07/35/08/305073508.db2.gz IQDFACGEVZGDLN-UHFFFAOYSA-N 1 0 348.403 1.617 20 5 EDBDRO COC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000434781430 305129941 /nfs/dbraw/zinc/12/99/41/305129941.db2.gz CAZYYSIVTBFOIF-IPYPFGDCSA-N 1 0 340.376 1.118 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+][C@@H](C)[C@@H]1C ZINC000436057662 305151653 /nfs/dbraw/zinc/15/16/53/305151653.db2.gz WFIIVVPFXPMJSY-RYUDHWBXSA-N 1 0 336.392 1.614 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000439602331 305200898 /nfs/dbraw/zinc/20/08/98/305200898.db2.gz FTWKTGRUBXLFSZ-AWEZNQCLSA-N 1 0 346.387 1.537 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000440405935 305205769 /nfs/dbraw/zinc/20/57/69/305205769.db2.gz KZULVIHCTSTHGF-DGCLKSJQSA-N 1 0 327.406 1.569 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000440438707 305206739 /nfs/dbraw/zinc/20/67/39/305206739.db2.gz MHLBEUILZGBZBS-LBPRGKRZSA-N 1 0 325.390 1.418 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c1C ZINC000440443809 305207008 /nfs/dbraw/zinc/20/70/08/305207008.db2.gz RJPJJUQLPWYKCP-ZDUSSCGKSA-N 1 0 339.417 1.727 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000440732455 305212053 /nfs/dbraw/zinc/21/20/53/305212053.db2.gz HVTPUCYUFOCRRI-NEPJUHHUSA-N 1 0 327.406 1.569 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000442871062 305230530 /nfs/dbraw/zinc/23/05/30/305230530.db2.gz VVUHXRCZVRXTBG-UHIISALHSA-N 1 0 334.376 1.569 20 5 EDBDRO COc1cc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000444750951 305251946 /nfs/dbraw/zinc/25/19/46/305251946.db2.gz MNKDYLGOPGRHNB-GJZGRUSLSA-N 1 0 346.387 1.545 20 5 EDBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](O)COc1ccccc1 ZINC000444803843 305253150 /nfs/dbraw/zinc/25/31/50/305253150.db2.gz GPSMUQNONAXHOA-MRXNPFEDSA-N 1 0 348.403 1.942 20 5 EDBDRO COCC[C@]1([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000447390779 305279705 /nfs/dbraw/zinc/27/97/05/305279705.db2.gz CFFBLMCMSWGHBD-INIZCTEOSA-N 1 0 337.376 1.343 20 5 EDBDRO O=C1CCC(=O)N1CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451552207 305353015 /nfs/dbraw/zinc/35/30/15/305353015.db2.gz WBWVJZRJPXASPF-CQSZACIVSA-N 1 0 331.372 1.923 20 5 EDBDRO O=C(C[N@H+]1CC[C@H](CCCO)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000452130295 305384881 /nfs/dbraw/zinc/38/48/81/305384881.db2.gz NXBANJFJUQRHJL-ZDUSSCGKSA-N 1 0 333.388 1.578 20 5 EDBDRO C[NH+](C)CC(C)(C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000457251964 305486071 /nfs/dbraw/zinc/48/60/71/305486071.db2.gz VPYGOKCIAISIGK-UHFFFAOYSA-N 1 0 331.376 1.851 20 5 EDBDRO CO[C@@H]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000493856856 305629943 /nfs/dbraw/zinc/62/99/43/305629943.db2.gz MHXCHKXTYKTXFL-KBUVRSHFSA-N 1 0 337.351 1.712 20 5 EDBDRO O=C(CC[C@H]1CCC[NH2+]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000494633327 305632920 /nfs/dbraw/zinc/63/29/20/305632920.db2.gz ADLSSQMHFPBJMX-OLZOCXBDSA-N 1 0 333.392 1.535 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCC[C@H]1CCC[NH2+]C1 ZINC000516748713 305740704 /nfs/dbraw/zinc/74/07/04/305740704.db2.gz BIXRLVDFROJEND-CYBMUJFWSA-N 1 0 336.392 1.663 20 5 EDBDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532138672 305974820 /nfs/dbraw/zinc/97/48/20/305974820.db2.gz HCNUTMDWJPUZBI-UHFFFAOYSA-N 1 0 343.343 1.403 20 5 EDBDRO CN(C)[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000551888011 306165670 /nfs/dbraw/zinc/16/56/70/306165670.db2.gz CKNGGWPWQBLISI-GOEBONIOSA-N 1 0 349.387 1.820 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000449707810 447388432 /nfs/dbraw/zinc/38/84/32/447388432.db2.gz DVAIYMQTFILAFL-CHWSQXEVSA-N 1 0 338.360 1.397 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000449719453 447389805 /nfs/dbraw/zinc/38/98/05/447389805.db2.gz QSNIFOGVVKGSSG-YPMHNXCESA-N 1 0 329.360 1.638 20 5 EDBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000044532869 440852959 /nfs/dbraw/zinc/85/29/59/440852959.db2.gz GECFHBRXKMONFI-LLVKDONJSA-N 1 0 335.360 1.928 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000044571770 440857162 /nfs/dbraw/zinc/85/71/62/440857162.db2.gz CYTBFHYUQTYTBZ-CQSZACIVSA-N 1 0 343.387 1.995 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046036489 441072709 /nfs/dbraw/zinc/07/27/09/441072709.db2.gz DPFIHWMVQCTOOU-NWDGAFQWSA-N 1 0 325.390 1.500 20 5 EDBDRO CNS(=O)(=O)c1ccc(NCC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000008178213 441085431 /nfs/dbraw/zinc/08/54/31/441085431.db2.gz QFQRLMPKTQPUIZ-UHFFFAOYSA-N 1 0 344.437 1.503 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NC1CC[NH+](C2CC2)CC1 ZINC000014102412 441171815 /nfs/dbraw/zinc/17/18/15/441171815.db2.gz HBPWCDHDZOOGDQ-UHFFFAOYSA-N 1 0 325.390 1.500 20 5 EDBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000080619121 441184351 /nfs/dbraw/zinc/18/43/51/441184351.db2.gz ODSLARBGNUINTL-NWDGAFQWSA-N 1 0 325.390 1.452 20 5 EDBDRO CCC[NH+]1CCC(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000018058414 441246698 /nfs/dbraw/zinc/24/66/98/441246698.db2.gz DVFBIYRCXKAKJL-UHFFFAOYSA-N 1 0 342.421 1.529 20 5 EDBDRO C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000048773654 441331856 /nfs/dbraw/zinc/33/18/56/441331856.db2.gz YFBZGZTVCVIZIP-UHFFFAOYSA-N 1 0 340.767 1.397 20 5 EDBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000081631807 441298169 /nfs/dbraw/zinc/29/81/69/441298169.db2.gz WXWCDQSMYNKJKR-CQSZACIVSA-N 1 0 346.431 1.857 20 5 EDBDRO Cc1sc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000064333907 441374034 /nfs/dbraw/zinc/37/40/34/441374034.db2.gz LJYQTZCIFSWQSI-QWRGUYRKSA-N 1 0 325.390 1.558 20 5 EDBDRO O=Cc1ccc(OCC(=O)NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000074340178 441423656 /nfs/dbraw/zinc/42/36/56/441423656.db2.gz IAJLUGFESFDQPO-UHFFFAOYSA-N 1 0 347.371 1.529 20 5 EDBDRO C[C@@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000088694837 441517514 /nfs/dbraw/zinc/51/75/14/441517514.db2.gz WGZFESZPIVBANT-RISCZKNCSA-N 1 0 327.406 1.651 20 5 EDBDRO CN1CC[NH+](CCCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000075654420 441545884 /nfs/dbraw/zinc/54/58/84/441545884.db2.gz XSUJVRZIADZULX-BQYQJAHWSA-N 1 0 346.431 1.752 20 5 EDBDRO CC1CC[NH+](C[C@H](O)CNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000088364036 441506253 /nfs/dbraw/zinc/50/62/53/441506253.db2.gz XZFXJYABNLMBSD-QGZVFWFLSA-N 1 0 349.431 1.736 20 5 EDBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000112922713 441569760 /nfs/dbraw/zinc/56/97/60/441569760.db2.gz MHTNTOSIADDKMJ-HNNXBMFYSA-N 1 0 348.447 1.527 20 5 EDBDRO O=C([C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1)N1CCOCC1 ZINC000054886983 441605304 /nfs/dbraw/zinc/60/53/04/441605304.db2.gz LSQBOBNRFYNBJV-OAHLLOKOSA-N 1 0 333.388 1.666 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000041240553 441639453 /nfs/dbraw/zinc/63/94/53/441639453.db2.gz NXIUIRYHQKPCMM-UHFFFAOYSA-N 1 0 346.387 1.585 20 5 EDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067483177 441644830 /nfs/dbraw/zinc/64/48/30/441644830.db2.gz LCUZIAOZSAUYDA-NSHDSACASA-N 1 0 332.364 1.246 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000121862436 441798864 /nfs/dbraw/zinc/79/88/64/441798864.db2.gz WOIGNUGBEDXEJT-UHFFFAOYSA-N 1 0 349.366 1.617 20 5 EDBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000173590107 441801190 /nfs/dbraw/zinc/80/11/90/441801190.db2.gz OGHKTRHMEUQAIL-QGZVFWFLSA-N 1 0 346.431 1.376 20 5 EDBDRO CNS(=O)(=O)c1ccc(NC[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000140024417 441832145 /nfs/dbraw/zinc/83/21/45/441832145.db2.gz LKWNCZDYCZPKOP-JTQLQIEISA-N 1 0 328.394 1.009 20 5 EDBDRO C[NH+](C)C[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000116785390 441844895 /nfs/dbraw/zinc/84/48/95/441844895.db2.gz QDRMPMXEUYACGT-LBPRGKRZSA-N 1 0 332.360 1.479 20 5 EDBDRO CCc1nn(C)c(NC[C@H]2C[N@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000094132327 441906313 /nfs/dbraw/zinc/90/63/13/441906313.db2.gz LDTGAYMKDVVLGV-LBPRGKRZSA-N 1 0 325.413 1.659 20 5 EDBDRO COc1cc(CNc2ccn(CC[NH+](C)C)n2)c([N+](=O)[O-])cc1O ZINC000119809671 441955502 /nfs/dbraw/zinc/95/55/02/441955502.db2.gz KMBWHGOLAJAKSH-UHFFFAOYSA-N 1 0 335.364 1.679 20 5 EDBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000078675020 441961521 /nfs/dbraw/zinc/96/15/21/441961521.db2.gz IPWRBVUASIMRDR-AWEZNQCLSA-N 1 0 342.403 1.925 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000125223434 441999814 /nfs/dbraw/zinc/99/98/14/441999814.db2.gz KEGIUSWRVFSRJT-NXEZZACHSA-N 1 0 329.378 1.152 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000125106007 441985308 /nfs/dbraw/zinc/98/53/08/441985308.db2.gz UKQGAEQQJYQULS-NXEZZACHSA-N 1 0 329.378 1.152 20 5 EDBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000119984332 441988466 /nfs/dbraw/zinc/98/84/66/441988466.db2.gz MWXNQQYNCBZACE-AWEZNQCLSA-N 1 0 348.403 1.866 20 5 EDBDRO CCOC(=O)c1cc(N2CCC[N@H+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000125342903 442012397 /nfs/dbraw/zinc/01/23/97/442012397.db2.gz ITWNPPJYZMSLCQ-UHFFFAOYSA-N 1 0 337.376 1.276 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000120449588 442074111 /nfs/dbraw/zinc/07/41/11/442074111.db2.gz FEBMEFQGYIPFKR-UHFFFAOYSA-N 1 0 346.387 1.620 20 5 EDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000162289256 442080870 /nfs/dbraw/zinc/08/08/70/442080870.db2.gz DGPYJRHQPDEOEX-PBHICJAKSA-N 1 0 346.431 1.894 20 5 EDBDRO C[C@H]1C[NH+](CCCNC(=O)c2cccc([N+](=O)[O-])c2N)C[C@H](C)O1 ZINC000175846159 442133617 /nfs/dbraw/zinc/13/36/17/442133617.db2.gz VYBQWWARQYLFJG-RYUDHWBXSA-N 1 0 336.392 1.406 20 5 EDBDRO Cc1nc(N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000127053079 442165928 /nfs/dbraw/zinc/16/59/28/442165928.db2.gz WLONCSZLCJZASS-OAHLLOKOSA-N 1 0 333.436 1.905 20 5 EDBDRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176239186 442198366 /nfs/dbraw/zinc/19/83/66/442198366.db2.gz IAUGVYHSPKAQCQ-LLVKDONJSA-N 1 0 327.385 1.636 20 5 EDBDRO C[C@H]1C[C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000164769942 442202139 /nfs/dbraw/zinc/20/21/39/442202139.db2.gz AMDOTMBBLCIKSE-JSGCOSHPSA-N 1 0 343.387 1.958 20 5 EDBDRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000164808261 442203175 /nfs/dbraw/zinc/20/31/75/442203175.db2.gz AMVSHZNRDMFRFN-GFCCVEGCSA-N 1 0 349.343 1.741 20 5 EDBDRO CNC(=O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000170911615 442287349 /nfs/dbraw/zinc/28/73/49/442287349.db2.gz IFCVWUVMMHZDHG-HNNXBMFYSA-N 1 0 348.403 1.832 20 5 EDBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000130599505 442351124 /nfs/dbraw/zinc/35/11/24/442351124.db2.gz ZEFSPPTWXHXFOJ-GFCCVEGCSA-N 1 0 329.360 1.652 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178620148 442449063 /nfs/dbraw/zinc/44/90/63/442449063.db2.gz AXXOUGYOFLOTSZ-ZDUSSCGKSA-N 1 0 334.376 1.781 20 5 EDBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(Cn3cncn3)CC2)c1 ZINC000186247886 442496918 /nfs/dbraw/zinc/49/69/18/442496918.db2.gz YQUSUVSWXRHLMZ-UHFFFAOYSA-N 1 0 331.376 1.977 20 5 EDBDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000179496348 442466570 /nfs/dbraw/zinc/46/65/70/442466570.db2.gz QSBGVFLWIPABIC-UHFFFAOYSA-N 1 0 343.387 1.755 20 5 EDBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000178934798 442530287 /nfs/dbraw/zinc/53/02/87/442530287.db2.gz UHVOXMXTUZWVAB-CYBMUJFWSA-N 1 0 341.433 1.974 20 5 EDBDRO CCN1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180415404 442598873 /nfs/dbraw/zinc/59/88/73/442598873.db2.gz SUQHUGOBJHIKDT-KGLIPLIRSA-N 1 0 334.420 1.798 20 5 EDBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000192452165 442647808 /nfs/dbraw/zinc/64/78/08/442647808.db2.gz VRFZOSOICBZPAO-LBPRGKRZSA-N 1 0 325.438 1.658 20 5 EDBDRO CCOc1cccc([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000180716533 442651647 /nfs/dbraw/zinc/65/16/47/442651647.db2.gz SUCKHZDJRPXACY-DOMZBBRYSA-N 1 0 334.376 1.902 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181493968 442700159 /nfs/dbraw/zinc/70/01/59/442700159.db2.gz KVCNZDIZKFDVHT-GXTWGEPZSA-N 1 0 349.435 1.869 20 5 EDBDRO C[C@@]1(O)CCCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000182325688 442757191 /nfs/dbraw/zinc/75/71/91/442757191.db2.gz BHNUIHXRPBPHDY-CQSZACIVSA-N 1 0 328.390 1.215 20 5 EDBDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000193574823 442755627 /nfs/dbraw/zinc/75/56/27/442755627.db2.gz XDPLUPXYTAQMQI-XPTSAGLGSA-N 1 0 338.339 1.177 20 5 EDBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000265550272 442820793 /nfs/dbraw/zinc/82/07/93/442820793.db2.gz YPTKNTNPPNNMGD-UHFFFAOYSA-N 1 0 346.387 1.653 20 5 EDBDRO C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000182965151 442856349 /nfs/dbraw/zinc/85/63/49/442856349.db2.gz MVHANBKGUDLETD-QGZVFWFLSA-N 1 0 336.436 1.198 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183195670 442900887 /nfs/dbraw/zinc/90/08/87/442900887.db2.gz IXPQXKTUHQVMIR-NWDGAFQWSA-N 1 0 337.376 1.635 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000268225613 442907912 /nfs/dbraw/zinc/90/79/12/442907912.db2.gz PJLKRCIGCHYQBF-BXUZGUMPSA-N 1 0 336.392 1.695 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000183250324 442911366 /nfs/dbraw/zinc/91/13/66/442911366.db2.gz ZKXMHWDGDKWTEY-MRXNPFEDSA-N 1 0 347.415 1.974 20 5 EDBDRO CCc1nn(C)c(NC[C@H](C)C[NH+]2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000189448273 442955979 /nfs/dbraw/zinc/95/59/79/442955979.db2.gz RVDYQWLHQKHGFQ-ZDUSSCGKSA-N 1 0 338.456 1.576 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000265943425 442978983 /nfs/dbraw/zinc/97/89/83/442978983.db2.gz IPSALKUPOFBJKW-BXUZGUMPSA-N 1 0 339.367 1.911 20 5 EDBDRO CN(CC(=O)Nc1ccnn1CC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000294274668 318608523 /nfs/dbraw/zinc/60/85/23/318608523.db2.gz ZIOWQVJDNDRSDK-UHFFFAOYSA-N 1 0 346.391 1.428 20 5 EDBDRO COc1cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c1OC ZINC000265966274 442987300 /nfs/dbraw/zinc/98/73/00/442987300.db2.gz SOSPZXFHCXUWGT-NSHDSACASA-N 1 0 349.387 1.826 20 5 EDBDRO COc1ccc(CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000189881777 443023361 /nfs/dbraw/zinc/02/33/61/443023361.db2.gz YGUXNINETRESBP-CYBMUJFWSA-N 1 0 337.420 1.880 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)CC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000184501446 443029753 /nfs/dbraw/zinc/02/97/53/443029753.db2.gz OZJAUOVEDIOVQK-UHFFFAOYSA-N 1 0 336.348 1.978 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000189958316 443037824 /nfs/dbraw/zinc/03/78/24/443037824.db2.gz JMRQIQZOJXKBIQ-ZDUSSCGKSA-N 1 0 341.433 1.832 20 5 EDBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184603102 443047549 /nfs/dbraw/zinc/04/75/49/443047549.db2.gz OACFYYGYCVBIHY-CQSZACIVSA-N 1 0 341.433 1.841 20 5 EDBDRO Cc1ccoc1C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000266217885 443062643 /nfs/dbraw/zinc/06/26/43/443062643.db2.gz QLIZXUQUWXJJAC-UHFFFAOYSA-N 1 0 339.373 1.564 20 5 EDBDRO C[C@@H](C[S@@](C)=O)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000185103607 443137327 /nfs/dbraw/zinc/13/73/27/443137327.db2.gz NCOIETUKSPPLLL-OKNBYCPDSA-N 1 0 330.406 1.033 20 5 EDBDRO Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000268892553 443138929 /nfs/dbraw/zinc/13/89/29/443138929.db2.gz YMBOUWJHCONETR-OAHLLOKOSA-N 1 0 332.404 1.646 20 5 EDBDRO Cc1c([C@H](C)[NH2+]CCCN2CCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000268897880 443140993 /nfs/dbraw/zinc/14/09/93/443140993.db2.gz KNWUJXNKLGSALI-XJKSGUPXSA-N 1 0 334.420 1.894 20 5 EDBDRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000236798865 443147641 /nfs/dbraw/zinc/14/76/41/443147641.db2.gz QIYLKPCOEGLDII-AWEZNQCLSA-N 1 0 329.422 1.730 20 5 EDBDRO COc1cc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000237228676 443165094 /nfs/dbraw/zinc/16/50/94/443165094.db2.gz DJINWDPJSGYIAH-UWVGGRQHSA-N 1 0 329.378 1.104 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[NH2+]C1CC1 ZINC000237630698 443177227 /nfs/dbraw/zinc/17/72/27/443177227.db2.gz YXNLBOCDQAADCK-VIFPVBQESA-N 1 0 327.768 1.884 20 5 EDBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000237986558 443190764 /nfs/dbraw/zinc/19/07/64/443190764.db2.gz IXVIARSEBDIYND-LLVKDONJSA-N 1 0 330.348 1.047 20 5 EDBDRO CCCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(N)=O ZINC000185187437 443157706 /nfs/dbraw/zinc/15/77/06/443157706.db2.gz QAXWVGLJHJELIO-UHFFFAOYSA-N 1 0 340.355 1.650 20 5 EDBDRO COc1cc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])cc1OC ZINC000325163173 318944668 /nfs/dbraw/zinc/94/46/68/318944668.db2.gz HUZGUXUZRJPZTN-PWSUYJOCSA-N 1 0 337.376 1.859 20 5 EDBDRO C[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H]1c1ccccc1 ZINC000185655557 443233475 /nfs/dbraw/zinc/23/34/75/443233475.db2.gz JSGWSWYGEBJAKV-GJZGRUSLSA-N 1 0 341.371 1.747 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000262731098 443209245 /nfs/dbraw/zinc/20/92/45/443209245.db2.gz DJPNNWHLSBIHRP-NXEZZACHSA-N 1 0 347.824 1.996 20 5 EDBDRO Cc1cc(NC(=O)C(=O)NCC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000411248946 319175152 /nfs/dbraw/zinc/17/51/52/319175152.db2.gz VODFAOCHQRBAQV-UHFFFAOYSA-N 1 0 334.376 1.300 20 5 EDBDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000413821525 319292296 /nfs/dbraw/zinc/29/22/96/319292296.db2.gz RZXQYXWKICWRPM-CYBMUJFWSA-N 1 0 325.340 1.311 20 5 EDBDRO C[NH2+][C@H](C)Cc1noc(-c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)n1 ZINC000414647460 319335873 /nfs/dbraw/zinc/33/58/73/319335873.db2.gz QXVBITWKWZZDIE-SNVBAGLBSA-N 1 0 328.332 1.981 20 5 EDBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000414668610 319338632 /nfs/dbraw/zinc/33/86/32/319338632.db2.gz YTGJOJXOTSYAPR-CABCVRRESA-N 1 0 334.376 1.955 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185902245 443278713 /nfs/dbraw/zinc/27/87/13/443278713.db2.gz VSIPMKWGVLXHDT-UHFFFAOYSA-N 1 0 337.424 1.728 20 5 EDBDRO Cc1c(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000269281556 443265249 /nfs/dbraw/zinc/26/52/49/443265249.db2.gz AWSWBOVMSJMDPO-AWEZNQCLSA-N 1 0 335.404 1.870 20 5 EDBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)CC1 ZINC000272465543 443327655 /nfs/dbraw/zinc/32/76/55/443327655.db2.gz PBFFKNQXSNDZAI-ZDUSSCGKSA-N 1 0 347.419 1.029 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@H](C)C[NH2+]1 ZINC000272623104 443386556 /nfs/dbraw/zinc/38/65/56/443386556.db2.gz VBXXDCKNGDRPPT-VXGBXAGGSA-N 1 0 329.360 1.603 20 5 EDBDRO O=C(N1CC[N@@H+]2CCC[C@H]2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272533115 443353195 /nfs/dbraw/zinc/35/31/95/443353195.db2.gz MRVYCXUCKASSTC-ZDUSSCGKSA-N 1 0 325.315 1.993 20 5 EDBDRO O=C1CC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C2(CCC2)N1 ZINC000282730693 443418461 /nfs/dbraw/zinc/41/84/61/443418461.db2.gz IICHHUQQTXDKOZ-IUODEOHRSA-N 1 0 349.387 1.125 20 5 EDBDRO CCOc1ccc(NC(=O)CN2C[C@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000420396135 319615658 /nfs/dbraw/zinc/61/56/58/319615658.db2.gz LUQUOWPRUXSJEO-RYUDHWBXSA-N 1 0 336.392 1.614 20 5 EDBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000264918020 443476031 /nfs/dbraw/zinc/47/60/31/443476031.db2.gz OYKONTYVVXVQTB-SNVBAGLBSA-N 1 0 343.405 1.068 20 5 EDBDRO CS[C@@H]1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270967751 443485457 /nfs/dbraw/zinc/48/54/57/443485457.db2.gz BHHWYQCXLHXHTK-VHSXEESVSA-N 1 0 341.437 1.559 20 5 EDBDRO C[C@@]1(CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCC[NH2+]C1 ZINC000272956248 443501138 /nfs/dbraw/zinc/50/11/38/443501138.db2.gz FFUOTDLFMXSPDB-QGZVFWFLSA-N 1 0 344.371 1.968 20 5 EDBDRO COC(=O)CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000272981212 443509625 /nfs/dbraw/zinc/50/96/25/443509625.db2.gz ASHYBNXMCAHTBP-ZDUSSCGKSA-N 1 0 340.376 1.608 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc([N+](=O)[O-])c1 ZINC000423610673 319792867 /nfs/dbraw/zinc/79/28/67/319792867.db2.gz MXGKGDWSSZBYEM-IINYFYTJSA-N 1 0 335.360 1.642 20 5 EDBDRO NC(=O)c1cc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)n[nH]1 ZINC000283132695 443534541 /nfs/dbraw/zinc/53/45/41/443534541.db2.gz NMTIXBOTUAXBBT-NSHDSACASA-N 1 0 347.350 1.936 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000273206268 443563848 /nfs/dbraw/zinc/56/38/48/443563848.db2.gz OTPJGBSVLKJEKF-HNNXBMFYSA-N 1 0 345.403 1.897 20 5 EDBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000425475366 319843193 /nfs/dbraw/zinc/84/31/93/319843193.db2.gz KWJHZKMRTLCZLK-AAEUAGOBSA-N 1 0 345.193 1.987 20 5 EDBDRO C[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH3+] ZINC000429184242 319923543 /nfs/dbraw/zinc/92/35/43/319923543.db2.gz SNBZDTVQWIOZJK-TVQRCGJNSA-N 1 0 330.344 1.658 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c2nonc21 ZINC000283331557 443603773 /nfs/dbraw/zinc/60/37/73/443603773.db2.gz AKLRYJMZEMFMLH-LBPRGKRZSA-N 1 0 347.375 1.680 20 5 EDBDRO CCN(CCC[NH+](C)C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000276184166 443664282 /nfs/dbraw/zinc/66/42/82/443664282.db2.gz HRCHVXVCAGRJPG-UHFFFAOYSA-N 1 0 327.356 1.913 20 5 EDBDRO CC(C)[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000449193302 320177518 /nfs/dbraw/zinc/17/75/18/320177518.db2.gz ZZMOSNVHBCIVOU-PBHICJAKSA-N 1 0 349.431 1.999 20 5 EDBDRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]12 ZINC000449519986 320193570 /nfs/dbraw/zinc/19/35/70/320193570.db2.gz DREHLXHQECCTCB-OKILXGFUSA-N 1 0 341.323 1.559 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2COCC2(C)C)cc1[N+](=O)[O-] ZINC000449622180 320195467 /nfs/dbraw/zinc/19/54/67/320195467.db2.gz CXUXEJOLAOIDNB-CQSZACIVSA-N 1 0 338.360 1.661 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000453627780 320264908 /nfs/dbraw/zinc/26/49/08/320264908.db2.gz IGRURJDEAAFKIT-YPMHNXCESA-N 1 0 338.360 1.804 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC=C(c3ccncc3)C2)c1 ZINC000286254682 443677909 /nfs/dbraw/zinc/67/79/09/443677909.db2.gz AVMOXJFAIDMUHS-MRXNPFEDSA-N 1 0 329.360 1.337 20 5 EDBDRO C[NH+](C)CCn1nnnc1SCc1c(F)cc([N+](=O)[O-])cc1F ZINC000505701130 320427630 /nfs/dbraw/zinc/42/76/30/320427630.db2.gz VEUCXGBBTHJHKA-UHFFFAOYSA-N 1 0 344.347 1.713 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000518733118 320459467 /nfs/dbraw/zinc/45/94/67/320459467.db2.gz QDXORGWIEVQQLZ-QGZVFWFLSA-N 1 0 348.403 1.889 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNc1cc(NC[C@@H](C)O)ncn1 ZINC000298249811 443729642 /nfs/dbraw/zinc/72/96/42/443729642.db2.gz MXZDYEDQXPICBO-SNVBAGLBSA-N 1 0 333.348 1.798 20 5 EDBDRO Cc1c(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000521629379 320484874 /nfs/dbraw/zinc/48/48/74/320484874.db2.gz VWFQJGOVAKTQND-ZJUUUORDSA-N 1 0 332.364 1.340 20 5 EDBDRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000523481839 320486093 /nfs/dbraw/zinc/48/60/93/320486093.db2.gz SKUWMXCHRPZOQI-UHFFFAOYSA-N 1 0 340.380 1.268 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280852411 443758434 /nfs/dbraw/zinc/75/84/34/443758434.db2.gz YFQOVVPEQOIDLA-MRXNPFEDSA-N 1 0 334.376 1.429 20 5 EDBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000276612268 443764842 /nfs/dbraw/zinc/76/48/42/443764842.db2.gz SUBOQDLFWQPKTB-JHJVBQTASA-N 1 0 340.376 1.512 20 5 EDBDRO CO[C@H]1C[C@@H](CN(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)[N@H+](C)C1 ZINC000285005514 443817501 /nfs/dbraw/zinc/81/75/01/443817501.db2.gz ZDNVGKIVLFQANK-STQMWFEESA-N 1 0 334.376 1.887 20 5 EDBDRO C[C@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[NH+](C)C ZINC000293061445 443915016 /nfs/dbraw/zinc/91/50/16/443915016.db2.gz BGHYWSUYGJZROO-SECBINFHSA-N 1 0 342.783 1.501 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000277473007 443987373 /nfs/dbraw/zinc/98/73/73/443987373.db2.gz NLUTYRAXHKRQCR-WCQYABFASA-N 1 0 337.376 1.947 20 5 EDBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000299409146 444038865 /nfs/dbraw/zinc/03/88/65/444038865.db2.gz OGQARSUEHCVZEI-VXGBXAGGSA-N 1 0 343.380 1.639 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000299429843 444043793 /nfs/dbraw/zinc/04/37/93/444043793.db2.gz WZIDINMFDKAUDA-CQSZACIVSA-N 1 0 349.366 1.658 20 5 EDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000299439237 444046331 /nfs/dbraw/zinc/04/63/31/444046331.db2.gz SSTLUMBURSSECB-YPMHNXCESA-N 1 0 339.417 1.522 20 5 EDBDRO CS(=O)(=O)NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000285630290 444053989 /nfs/dbraw/zinc/05/39/89/444053989.db2.gz ZYMBITXFQLHGHC-UHFFFAOYSA-N 1 0 327.406 1.356 20 5 EDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000554889635 320959768 /nfs/dbraw/zinc/95/97/68/320959768.db2.gz TWLAWSWRJPJUFI-LBPRGKRZSA-N 1 0 337.380 1.035 20 5 EDBDRO Cc1cc(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000281894421 444033635 /nfs/dbraw/zinc/03/36/35/444033635.db2.gz YPPQUTRJVNLRGK-UHFFFAOYSA-N 1 0 334.420 1.659 20 5 EDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000282096423 444085196 /nfs/dbraw/zinc/08/51/96/444085196.db2.gz YYBCVNIHIXZBAG-LBPRGKRZSA-N 1 0 344.375 1.377 20 5 EDBDRO C[C@@]1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000564857069 321152114 /nfs/dbraw/zinc/15/21/14/321152114.db2.gz QNDNALDHBNEKLJ-AWEZNQCLSA-N 1 0 328.390 1.385 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278106388 444097150 /nfs/dbraw/zinc/09/71/50/444097150.db2.gz RHMHNTGTQLTERO-LBPRGKRZSA-N 1 0 346.391 1.755 20 5 EDBDRO COC(=O)[C@@H]1CN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000568970622 321312771 /nfs/dbraw/zinc/31/27/71/321312771.db2.gz PLAYAILQZOWDOF-OCCSQVGLSA-N 1 0 349.387 1.262 20 5 EDBDRO COc1cccc([C@@H]2C[C@@H](O)C[N@@H+]2CCn2ccc([N+](=O)[O-])n2)c1 ZINC000282160975 444101493 /nfs/dbraw/zinc/10/14/93/444101493.db2.gz LSJWFTTVRBVZKZ-HIFRSBDPSA-N 1 0 332.360 1.608 20 5 EDBDRO C[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000569521408 321328994 /nfs/dbraw/zinc/32/89/94/321328994.db2.gz FOSVNRUQMGJBGZ-SWLSCSKDSA-N 1 0 348.403 1.154 20 5 EDBDRO C[NH2+]C1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000572017007 321411524 /nfs/dbraw/zinc/41/15/24/321411524.db2.gz PYYHUFMDCURSPE-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO CNC(=O)c1ccc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000294868155 444152014 /nfs/dbraw/zinc/15/20/14/444152014.db2.gz DVFFTFWIZLHBFE-GFCCVEGCSA-N 1 0 332.404 1.875 20 5 EDBDRO CC[NH2+]CCCNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000573445569 321454537 /nfs/dbraw/zinc/45/45/37/321454537.db2.gz XWHBWNCXFIVDCM-UHFFFAOYSA-N 1 0 335.357 1.020 20 5 EDBDRO COC(=O)c1cc(N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301399554 444169753 /nfs/dbraw/zinc/16/97/53/444169753.db2.gz HWSWAFHVPZKVFI-NEPJUHHUSA-N 1 0 337.376 1.273 20 5 EDBDRO COC(=O)c1cc(N2CC[N@H+](CCO)[C@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000302482834 444214710 /nfs/dbraw/zinc/21/47/10/444214710.db2.gz XYVZBNQJWMGHDM-GFCCVEGCSA-N 1 0 337.376 1.193 20 5 EDBDRO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000289918828 444219688 /nfs/dbraw/zinc/21/96/88/444219688.db2.gz UCINZZKNBHEOLY-XYPHTWIQSA-N 1 0 335.404 1.423 20 5 EDBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000301525789 444177360 /nfs/dbraw/zinc/17/73/60/444177360.db2.gz HOHKGIVGOQKWGB-GFCCVEGCSA-N 1 0 342.421 1.529 20 5 EDBDRO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000295356243 444180341 /nfs/dbraw/zinc/18/03/41/444180341.db2.gz NQHAKRRRKHDZFQ-LLVKDONJSA-N 1 0 335.408 1.998 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000576220366 321547910 /nfs/dbraw/zinc/54/79/10/321547910.db2.gz OBFOVHBINQRNEM-XJKSGUPXSA-N 1 0 349.366 1.160 20 5 EDBDRO O=[N+]([O-])c1ccc(CO)cc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000302075897 444203273 /nfs/dbraw/zinc/20/32/73/444203273.db2.gz XXZZVUZEIJAWNL-CQSZACIVSA-N 1 0 335.404 2.000 20 5 EDBDRO C[C@H](NC(=O)C(=O)N1CCC(CC[NH3+])CC1)c1ccccc1[N+](=O)[O-] ZINC000576762310 321594210 /nfs/dbraw/zinc/59/42/10/321594210.db2.gz WSSPKDQGAMKBRR-LBPRGKRZSA-N 1 0 348.403 1.359 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000290327224 444267889 /nfs/dbraw/zinc/26/78/89/444267889.db2.gz WDISNYUCHVFKJL-CYBMUJFWSA-N 1 0 334.376 1.258 20 5 EDBDRO C[N@@H+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000305709917 444274052 /nfs/dbraw/zinc/27/40/52/444274052.db2.gz XFNPXBWBKGLBCM-SJORKVTESA-N 1 0 345.403 1.141 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000319353084 444323810 /nfs/dbraw/zinc/32/38/10/444323810.db2.gz QZQDITPFKCICIK-NOZJJQNGSA-N 1 0 347.824 1.854 20 5 EDBDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000578482949 321780684 /nfs/dbraw/zinc/78/06/84/321780684.db2.gz YNLJMRIJERMODP-AVGNSLFASA-N 1 0 344.437 1.688 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000321618656 444336756 /nfs/dbraw/zinc/33/67/56/444336756.db2.gz MPPIPHKPQXTNPC-HUUCEWRRSA-N 1 0 339.417 1.890 20 5 EDBDRO C[N@@H+]1CCCC[C@H]1CCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298041452 444395299 /nfs/dbraw/zinc/39/52/99/444395299.db2.gz HIPVKPRZICWTHE-HNNXBMFYSA-N 1 0 333.436 1.986 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000331526793 444475457 /nfs/dbraw/zinc/47/54/57/444475457.db2.gz OTVFSVGIOHNJKY-HZMBPMFUSA-N 1 0 325.390 1.356 20 5 EDBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000579944359 321989288 /nfs/dbraw/zinc/98/92/88/321989288.db2.gz PSJYCJZKPLFQIA-OUCADQQQSA-N 1 0 338.360 1.266 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000580835830 322101973 /nfs/dbraw/zinc/10/19/73/322101973.db2.gz SRGKIXKCDFYEQT-OAHLLOKOSA-N 1 0 343.387 1.575 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000580950412 322116214 /nfs/dbraw/zinc/11/62/14/322116214.db2.gz PNBWKKJXJBAEGR-MRXNPFEDSA-N 1 0 333.344 1.192 20 5 EDBDRO CC[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CCN1CCOC ZINC000343751254 444565182 /nfs/dbraw/zinc/56/51/82/444565182.db2.gz BWLRUVUBAATTJN-CQSZACIVSA-N 1 0 339.367 1.917 20 5 EDBDRO CN(CCCC[NH+](C)C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000611033702 450415433 /nfs/dbraw/zinc/41/54/33/450415433.db2.gz SMSFTTJOYWTVLH-UHFFFAOYSA-N 1 0 329.422 1.698 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000342483728 444710209 /nfs/dbraw/zinc/71/02/09/444710209.db2.gz DDBDMMCWCJPTAH-UHFFFAOYSA-N 1 0 331.376 1.362 20 5 EDBDRO O=C1[C@H]([N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000344048886 444749855 /nfs/dbraw/zinc/74/98/55/444749855.db2.gz ZGJDMUGAIOONMU-AEAUEXCSSA-N 1 0 331.372 1.403 20 5 EDBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000342614214 444776956 /nfs/dbraw/zinc/77/69/56/444776956.db2.gz KGSCRMIUOPQHPU-CQSZACIVSA-N 1 0 332.360 1.964 20 5 EDBDRO C[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[N@@H+]1CCCC[C@H]1C ZINC000338663808 444798470 /nfs/dbraw/zinc/79/84/70/444798470.db2.gz BTXVIPSHPYGGNB-CHWSQXEVSA-N 1 0 337.424 1.906 20 5 EDBDRO CC[NH+](CC)C[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000341696598 444953425 /nfs/dbraw/zinc/95/34/25/444953425.db2.gz JUFOUCJJSILTCB-LBPRGKRZSA-N 1 0 339.392 1.829 20 5 EDBDRO CC[NH+]1CCC(N(C)C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000330438666 444980582 /nfs/dbraw/zinc/98/05/82/444980582.db2.gz NPZKNDVRVFZOKE-UHFFFAOYSA-N 1 0 337.424 1.741 20 5 EDBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000330459845 444990511 /nfs/dbraw/zinc/99/05/11/444990511.db2.gz ZZRIGYMMEXTZNN-STQMWFEESA-N 1 0 337.424 1.763 20 5 EDBDRO CC(=O)c1ccc(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000339033974 444999009 /nfs/dbraw/zinc/99/90/09/444999009.db2.gz HHGJQJYDEWRUAX-CQSZACIVSA-N 1 0 348.403 1.797 20 5 EDBDRO Cn1nccc1[C@H]1[C@@H](CNc2ncc([N+](=O)[O-])cn2)CCC[N@@H+]1C ZINC000344486298 445004229 /nfs/dbraw/zinc/00/42/29/445004229.db2.gz ZDRRZZXDQWWANW-BXUZGUMPSA-N 1 0 331.380 1.613 20 5 EDBDRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000337286840 445016777 /nfs/dbraw/zinc/01/67/77/445016777.db2.gz MPIZWSTWITVARB-GHMZBOCLSA-N 1 0 333.435 1.464 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C(=O)NCCF ZINC000337482119 445099706 /nfs/dbraw/zinc/09/97/06/445099706.db2.gz RBXRFNXKYVVPOC-QWRGUYRKSA-N 1 0 340.355 1.376 20 5 EDBDRO O=C1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C2CC2)N1 ZINC000342063587 445152095 /nfs/dbraw/zinc/15/20/95/445152095.db2.gz KIYFSWKOHYMZKU-WBMJQRKESA-N 1 0 329.360 1.618 20 5 EDBDRO CN(CCc1ccccc1[N+](=O)[O-])c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000343235819 445153972 /nfs/dbraw/zinc/15/39/72/445153972.db2.gz RYDVJSDRIJZFOY-UHFFFAOYSA-N 1 0 339.359 1.832 20 5 EDBDRO CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@@H+]1CCOC ZINC000346586427 445218839 /nfs/dbraw/zinc/21/88/39/445218839.db2.gz LJUCIPHCMPTFHQ-ZDUSSCGKSA-N 1 0 338.408 1.506 20 5 EDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000346655900 445221604 /nfs/dbraw/zinc/22/16/04/445221604.db2.gz MHLYIGJKLAKNDY-OLZOCXBDSA-N 1 0 342.403 2.066 20 5 EDBDRO C[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)N1CC[NH+](C)CC1 ZINC000347435615 445238370 /nfs/dbraw/zinc/23/83/70/445238370.db2.gz SYDXWBJPLAFBTB-LBPRGKRZSA-N 1 0 330.392 1.586 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348378371 445271383 /nfs/dbraw/zinc/27/13/83/445271383.db2.gz GHJMKTYMOBCHJO-OLZOCXBDSA-N 1 0 339.417 1.651 20 5 EDBDRO O=[N+]([O-])c1cnc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000354570791 445298870 /nfs/dbraw/zinc/29/88/70/445298870.db2.gz HIVAJXORXJMYQA-MRXNPFEDSA-N 1 0 329.360 1.434 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[N@H+](C)[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000356973093 445354898 /nfs/dbraw/zinc/35/48/98/445354898.db2.gz HYZMLIMHOFEIEP-RYUDHWBXSA-N 1 0 336.392 1.566 20 5 EDBDRO C[NH+](C)C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000359810263 445440023 /nfs/dbraw/zinc/44/00/23/445440023.db2.gz UCGOBLGVACPGRY-AWEZNQCLSA-N 1 0 335.339 1.350 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc(C)c3[N+](=O)[O-])[C@@H]2C1 ZINC000355370799 445456375 /nfs/dbraw/zinc/45/63/75/445456375.db2.gz QSXZCMSKBYMRIK-HUUCEWRRSA-N 1 0 333.388 1.838 20 5 EDBDRO Cc1ccc(NCCCNC(=O)N[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000353437671 445601095 /nfs/dbraw/zinc/60/10/95/445601095.db2.gz JMTCGALRMZMKQE-CYBMUJFWSA-N 1 0 337.424 1.955 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000353481356 445622677 /nfs/dbraw/zinc/62/26/77/445622677.db2.gz KBALNAOPYIBJGE-YUTCNCBUSA-N 1 0 333.392 1.391 20 5 EDBDRO O=C1[C@@H]([NH2+][C@@H]2CCc3nccn3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000363069736 445666174 /nfs/dbraw/zinc/66/61/74/445666174.db2.gz YOFJFJNXNJWNCV-DOMZBBRYSA-N 1 0 341.371 1.501 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000353735155 445731084 /nfs/dbraw/zinc/73/10/84/445731084.db2.gz HJJCATDQOUNBSB-LBPRGKRZSA-N 1 0 326.349 1.253 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]CCn2cc(C)cn2)cc1[N+](=O)[O-] ZINC000353736886 445732114 /nfs/dbraw/zinc/73/21/14/445732114.db2.gz KCTPVURTVXLJMD-UHFFFAOYSA-N 1 0 348.359 1.441 20 5 EDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000356318776 445732843 /nfs/dbraw/zinc/73/28/43/445732843.db2.gz FDNTWFHDBJNTGE-LBPRGKRZSA-N 1 0 339.392 1.690 20 5 EDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000356318775 445732949 /nfs/dbraw/zinc/73/29/49/445732949.db2.gz FDNTWFHDBJNTGE-GFCCVEGCSA-N 1 0 339.392 1.690 20 5 EDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363325930 445767327 /nfs/dbraw/zinc/76/73/27/445767327.db2.gz MTWCKUFZVKCPNS-UONOGXRCSA-N 1 0 349.387 1.343 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000363404557 445790716 /nfs/dbraw/zinc/79/07/16/445790716.db2.gz MYFHWRFLMIVPDT-CABCVRRESA-N 1 0 339.417 1.842 20 5 EDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000354019023 445857242 /nfs/dbraw/zinc/85/72/42/445857242.db2.gz ISOBXAKYRXSKCO-CYBMUJFWSA-N 1 0 348.403 1.267 20 5 EDBDRO Cc1cc[nH+]c(NC[C@H]2CCN(c3ncc([N+](=O)[O-])c(N)n3)C2)c1 ZINC000364729624 445949485 /nfs/dbraw/zinc/94/94/85/445949485.db2.gz JRAKQXNDMLZHLF-LLVKDONJSA-N 1 0 329.364 1.609 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC000583191233 326022137 /nfs/dbraw/zinc/02/21/37/326022137.db2.gz MBELBDFJFQRQDW-LBPRGKRZSA-N 1 0 346.391 1.725 20 5 EDBDRO CCn1ccnc1[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000583199395 326024980 /nfs/dbraw/zinc/02/49/80/326024980.db2.gz NMJUJYFIHNJPPG-GXTWGEPZSA-N 1 0 334.376 1.902 20 5 EDBDRO COc1cc(OCC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000356831555 446055006 /nfs/dbraw/zinc/05/50/06/446055006.db2.gz ANRDYGQOUBGPHK-VXGBXAGGSA-N 1 0 337.376 1.533 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc([N+](=O)[O-])c1 ZINC000583695078 326121021 /nfs/dbraw/zinc/12/10/21/326121021.db2.gz XZOHWPJGMSFBDA-QGZVFWFLSA-N 1 0 347.371 1.597 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000583871566 326157339 /nfs/dbraw/zinc/15/73/39/326157339.db2.gz PVZKJCTWIHWGLC-UHFFFAOYSA-N 1 0 327.406 1.517 20 5 EDBDRO COCC[C@@]1([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCOC1 ZINC000584093009 326196804 /nfs/dbraw/zinc/19/68/04/326196804.db2.gz PMLBAXSKIPLIIC-MRXNPFEDSA-N 1 0 337.376 1.627 20 5 EDBDRO Cc1cc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000366198906 446079180 /nfs/dbraw/zinc/07/91/80/446079180.db2.gz WIUPPTNSSORKMD-CYBMUJFWSA-N 1 0 348.403 1.469 20 5 EDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351493580 446097186 /nfs/dbraw/zinc/09/71/86/446097186.db2.gz LYXWTGSVCWWJOP-SNVBAGLBSA-N 1 0 340.355 1.519 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]12 ZINC000351495956 446099708 /nfs/dbraw/zinc/09/97/08/446099708.db2.gz QIKAGCGYEGCNFV-MRVWCRGKSA-N 1 0 329.360 1.814 20 5 EDBDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000373316726 446161201 /nfs/dbraw/zinc/16/12/01/446161201.db2.gz JLVMCGVULNALRY-LBPRGKRZSA-N 1 0 333.392 1.892 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000359481293 446250217 /nfs/dbraw/zinc/25/02/17/446250217.db2.gz KRGWPCKGXZESPV-NSHDSACASA-N 1 0 325.413 1.401 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CCC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000376227524 446390780 /nfs/dbraw/zinc/39/07/80/446390780.db2.gz JGVDLWDGWBVHEY-LBPRGKRZSA-N 1 0 334.376 1.759 20 5 EDBDRO CCC[C@@H]1C[NH2+]CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420243563 446429354 /nfs/dbraw/zinc/42/93/54/446429354.db2.gz XXLMYRZSUFRFSA-LLVKDONJSA-N 1 0 327.406 1.577 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1C[NH2+]CCO1 ZINC000420277306 446446670 /nfs/dbraw/zinc/44/66/70/446446670.db2.gz HTGWLZVBUXUIJU-VIFPVBQESA-N 1 0 329.740 1.435 20 5 EDBDRO NS(=O)(=O)c1cccc(NC[C@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420284311 446450386 /nfs/dbraw/zinc/45/03/86/446450386.db2.gz OKXRIASTVDTKKL-VHSXEESVSA-N 1 0 328.394 1.172 20 5 EDBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]1 ZINC000417995123 446410082 /nfs/dbraw/zinc/41/00/82/446410082.db2.gz RLBPSSAHGUPUNG-LBPRGKRZSA-N 1 0 326.784 1.842 20 5 EDBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H](O)COCC(F)(F)F)CC2 ZINC000432820959 446511872 /nfs/dbraw/zinc/51/18/72/446511872.db2.gz IADSKUYZSCIGBV-CYBMUJFWSA-N 1 0 334.294 1.893 20 5 EDBDRO C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C[NH2+]1 ZINC000420382811 446559254 /nfs/dbraw/zinc/55/92/54/446559254.db2.gz DGOCLBAAEQRXBP-ZJUUUORDSA-N 1 0 326.784 1.869 20 5 EDBDRO C[C@H]1COCC[C@@H]1[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000433144847 446537844 /nfs/dbraw/zinc/53/78/44/446537844.db2.gz DPNVNEWTAONWOK-AAEUAGOBSA-N 1 0 335.360 1.907 20 5 EDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000420435887 446611630 /nfs/dbraw/zinc/61/16/30/446611630.db2.gz SZMIZYIQJYQDRX-VXGBXAGGSA-N 1 0 327.406 1.149 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NCC[C@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000423585412 446590146 /nfs/dbraw/zinc/59/01/46/446590146.db2.gz WDGGCUAEDNJPHL-CYBMUJFWSA-N 1 0 335.360 1.643 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000423593902 446594203 /nfs/dbraw/zinc/59/42/03/446594203.db2.gz NKNXHPNZWOYFFL-QWHCGFSZSA-N 1 0 334.376 1.019 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](CO)[C@@H]1C ZINC000411655168 446635769 /nfs/dbraw/zinc/63/57/69/446635769.db2.gz IVQVSRXYBYPEOR-RYUDHWBXSA-N 1 0 337.376 1.635 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c1 ZINC000420465149 446642849 /nfs/dbraw/zinc/64/28/49/446642849.db2.gz VIMMJULCRDFAJI-RISCZKNCSA-N 1 0 341.433 1.960 20 5 EDBDRO CCOC(=O)CC1([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000434613095 446655933 /nfs/dbraw/zinc/65/59/33/446655933.db2.gz ZWEOCUCRYDHTOM-CYBMUJFWSA-N 1 0 340.380 1.008 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423738589 446669454 /nfs/dbraw/zinc/66/94/54/446669454.db2.gz HIBZYUDAOIMUFF-ZWNOBZJWSA-N 1 0 335.360 1.629 20 5 EDBDRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000371092492 446623022 /nfs/dbraw/zinc/62/30/22/446623022.db2.gz FQEGXVINNHRYGA-MLGOLLRUSA-N 1 0 332.360 1.405 20 5 EDBDRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2ccccc2[N+](=O)[O-])C1=O ZINC000371092143 446623210 /nfs/dbraw/zinc/62/32/10/446623210.db2.gz ZFFKNBWKWKVXRB-LRDDRELGSA-N 1 0 332.360 1.405 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000420457454 446635312 /nfs/dbraw/zinc/63/53/12/446635312.db2.gz OFAGAINXOSBVBG-WDEREUQCSA-N 1 0 345.446 1.667 20 5 EDBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000420636975 446714361 /nfs/dbraw/zinc/71/43/61/446714361.db2.gz NBAMMGFCAXSXEY-SLEUVZQESA-N 1 0 332.404 1.860 20 5 EDBDRO C[C@H](NC(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000418764982 446683932 /nfs/dbraw/zinc/68/39/32/446683932.db2.gz ASDNMBDMIIPOPF-JKOKRWQUSA-N 1 0 334.376 1.016 20 5 EDBDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000411946926 446756298 /nfs/dbraw/zinc/75/62/98/446756298.db2.gz SYXWNUVPDIDJOH-NSHDSACASA-N 1 0 335.360 1.371 20 5 EDBDRO Cn1ccnc1[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000371317807 446769612 /nfs/dbraw/zinc/76/96/12/446769612.db2.gz DUZBZCKOGUGXBS-NSHDSACASA-N 1 0 336.373 1.507 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423937873 446788500 /nfs/dbraw/zinc/78/85/00/446788500.db2.gz GWBCRHVAAKDODJ-KBPBESRZSA-N 1 0 333.388 1.964 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423952037 446795041 /nfs/dbraw/zinc/79/50/41/446795041.db2.gz MOBGARZISOJVMO-WCABBAIRSA-N 1 0 327.768 1.821 20 5 EDBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000423999033 446815311 /nfs/dbraw/zinc/81/53/11/446815311.db2.gz JVTNILUNHNCCPR-GDBMZVCRSA-N 1 0 333.388 1.953 20 5 EDBDRO Cc1c(NC(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)cccc1[N+](=O)[O-] ZINC000376957123 446820498 /nfs/dbraw/zinc/82/04/98/446820498.db2.gz IUAFKCPGHYEYJS-LBPRGKRZSA-N 1 0 336.392 1.824 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@]2(CO)Cc2ccccc2)c1 ZINC000375471357 446825535 /nfs/dbraw/zinc/82/55/35/446825535.db2.gz SNBDBNUKQZZETM-KRWDZBQOSA-N 1 0 330.388 1.861 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423985028 446806324 /nfs/dbraw/zinc/80/63/24/446806324.db2.gz QDRZNGKCEJWZTN-BWACUDIHSA-N 1 0 348.403 1.156 20 5 EDBDRO C[C@H]1C[C@@H](C[NH3+])CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000442758410 446953745 /nfs/dbraw/zinc/95/37/45/446953745.db2.gz AVHFNLIXOQJTJO-UWVGGRQHSA-N 1 0 326.784 1.856 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](CCO)CC2)c1 ZINC000421034139 447003902 /nfs/dbraw/zinc/00/39/02/447003902.db2.gz GSYDUYWJRKHGBV-GDBMZVCRSA-N 1 0 338.404 1.819 20 5 EDBDRO CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC[NH+](CCO)CC1 ZINC000444625102 447110036 /nfs/dbraw/zinc/11/00/36/447110036.db2.gz HCDUBCWWXRHYHY-UHFFFAOYSA-N 1 0 333.392 1.360 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(C)C ZINC000444177802 447089547 /nfs/dbraw/zinc/08/95/47/447089547.db2.gz SWRBZQJGVNQCDY-UHFFFAOYSA-N 1 0 335.451 1.973 20 5 EDBDRO COCC(C)(C)[NH+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000425272601 447091782 /nfs/dbraw/zinc/09/17/82/447091782.db2.gz LKRKFYGMUSJGKP-UHFFFAOYSA-N 1 0 336.392 1.241 20 5 EDBDRO CC(C)(O)C[N@@H+]1CCCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000372545134 447127790 /nfs/dbraw/zinc/12/77/90/447127790.db2.gz HXGPSRZBVSRZDI-UHFFFAOYSA-N 1 0 337.420 1.752 20 5 EDBDRO Cc1ccnc(NCC2(N3CCOCC3)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000413485372 447198311 /nfs/dbraw/zinc/19/83/11/447198311.db2.gz WCXWCKZACRISSR-UHFFFAOYSA-N 1 0 349.435 1.507 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[N@@H+](C3CCOCC3)CC2)c1 ZINC000372728379 447251654 /nfs/dbraw/zinc/25/16/54/447251654.db2.gz QJSHUDLEWBJPBB-SFHVURJKSA-N 1 0 349.431 1.815 20 5 EDBDRO C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000494900372 447461194 /nfs/dbraw/zinc/46/11/94/447461194.db2.gz JJIGGCZAFWIVCT-UHIISALHSA-N 1 0 327.406 1.507 20 5 EDBDRO CCCN(C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000415502439 447484489 /nfs/dbraw/zinc/48/44/89/447484489.db2.gz QKLAXUAAMCBTQH-UHFFFAOYSA-N 1 0 348.403 1.832 20 5 EDBDRO O=c1c(Cl)c(N[C@@H]2CC[NH2+]C2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000420155624 447643522 /nfs/dbraw/zinc/64/35/22/447643522.db2.gz UNRRMZSIBGSYDW-SECBINFHSA-N 1 0 335.751 1.568 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000427637264 447627097 /nfs/dbraw/zinc/62/70/97/447627097.db2.gz FXQRAWXEPRSFHA-CYBMUJFWSA-N 1 0 335.408 1.615 20 5 EDBDRO CCOC(=O)c1cc(N2CC[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000450958394 447634589 /nfs/dbraw/zinc/63/45/89/447634589.db2.gz VVLPNIZHKKWETE-LBPRGKRZSA-N 1 0 337.376 1.274 20 5 EDBDRO Cc1cc(NC[C@H]2C[NH2+]C[C@@H]2O)c(Br)cc1[N+](=O)[O-] ZINC000420242547 447683467 /nfs/dbraw/zinc/68/34/67/447683467.db2.gz BTNWQTAYNXIHGR-PELKAZGASA-N 1 0 330.182 1.658 20 5 EDBDRO CCCCCNC(=O)[C@H](C)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459490872 447685696 /nfs/dbraw/zinc/68/56/96/447685696.db2.gz CAEMXEUYMVAXGT-AWEZNQCLSA-N 1 0 349.435 1.807 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@](O)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000451431647 447731884 /nfs/dbraw/zinc/73/18/84/447731884.db2.gz NLRBMCAUGQTDRW-HNNXBMFYSA-N 1 0 343.330 1.934 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000422733946 447732660 /nfs/dbraw/zinc/73/26/60/447732660.db2.gz SATCHZMLKSSBHK-WFASDCNBSA-N 1 0 348.403 1.361 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000422761135 447742393 /nfs/dbraw/zinc/74/23/93/447742393.db2.gz LMQPQOLSIIWRDU-QWRGUYRKSA-N 1 0 335.360 1.499 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@H](C[NH3+])CC(C)C)cc([N+](=O)[O-])c1 ZINC000422827062 447761332 /nfs/dbraw/zinc/76/13/32/447761332.db2.gz CXSUUZMNOJRFHE-ZDUSSCGKSA-N 1 0 337.376 1.875 20 5 EDBDRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000569902835 447911878 /nfs/dbraw/zinc/91/18/78/447911878.db2.gz DJILGTMSKOXJNS-SNVBAGLBSA-N 1 0 327.331 1.874 20 5 EDBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000525600951 448005053 /nfs/dbraw/zinc/00/50/53/448005053.db2.gz BBZSDLFOFGAIAF-UHFFFAOYSA-N 1 0 328.394 1.095 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@@H+]1C ZINC000525104923 447969361 /nfs/dbraw/zinc/96/93/61/447969361.db2.gz HPKHPWVKGSUFSP-QWRGUYRKSA-N 1 0 335.360 1.579 20 5 EDBDRO C[C@@H](C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000554616653 448044305 /nfs/dbraw/zinc/04/43/05/448044305.db2.gz JALRSMCMJIHZCW-CQSZACIVSA-N 1 0 348.447 1.841 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[N@@H+]1C1CC1 ZINC000531243885 448045304 /nfs/dbraw/zinc/04/53/04/448045304.db2.gz MGLRVSLMRMTTHH-NXEZZACHSA-N 1 0 333.344 1.679 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000570741038 448058997 /nfs/dbraw/zinc/05/89/97/448058997.db2.gz SPQKKFNDRGEVBC-RYUDHWBXSA-N 1 0 327.406 1.569 20 5 EDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000576584891 448090949 /nfs/dbraw/zinc/09/09/49/448090949.db2.gz MGDFWHMWXISNRL-VIKVFOODSA-N 1 0 330.388 1.145 20 5 EDBDRO COc1ccc(CC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000571163084 448114196 /nfs/dbraw/zinc/11/41/96/448114196.db2.gz QWBIGQCMNMRUBP-HUUCEWRRSA-N 1 0 347.415 1.994 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000531633541 448120608 /nfs/dbraw/zinc/12/06/08/448120608.db2.gz QKEQAZXMOALGEF-UHFFFAOYSA-N 1 0 348.403 1.707 20 5 EDBDRO C[NH+]1CCC(O)(CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000492065872 448173710 /nfs/dbraw/zinc/17/37/10/448173710.db2.gz FWKHWXMARTUXJX-HYXAFXHYSA-N 1 0 337.351 1.320 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])CC[C@H]21 ZINC000532196864 448215044 /nfs/dbraw/zinc/21/50/44/448215044.db2.gz GONWLCQMUKWCTE-NWDGAFQWSA-N 1 0 340.405 1.095 20 5 EDBDRO O=C(C[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000591054323 448245100 /nfs/dbraw/zinc/24/51/00/448245100.db2.gz WMLITAURTRDXDE-LZWOXQAQSA-N 1 0 345.399 1.577 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000577408985 448291858 /nfs/dbraw/zinc/29/18/58/448291858.db2.gz MLPICFMRAAVLNW-QCZZGDTMSA-N 1 0 337.376 1.679 20 5 EDBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000572143654 448300201 /nfs/dbraw/zinc/30/02/01/448300201.db2.gz IZNJMVRKAWLLKV-LLVKDONJSA-N 1 0 337.376 1.825 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])c1 ZINC000591447851 448365732 /nfs/dbraw/zinc/36/57/32/448365732.db2.gz APQRONQMRUKETH-SMDDNHRTSA-N 1 0 334.376 1.226 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000566223381 448418299 /nfs/dbraw/zinc/41/82/99/448418299.db2.gz ACRINEHMHKUOCA-AWEZNQCLSA-N 1 0 341.433 1.824 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000577952324 448424400 /nfs/dbraw/zinc/42/44/00/448424400.db2.gz DBQMDUKOSXAVQM-YUMQZZPRSA-N 1 0 335.357 1.147 20 5 EDBDRO Cc1cccc(C)c1OCCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591729223 448475327 /nfs/dbraw/zinc/47/53/27/448475327.db2.gz PMKYYLMRRKETEB-MRXNPFEDSA-N 1 0 348.403 1.828 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000591756099 448482474 /nfs/dbraw/zinc/48/24/74/448482474.db2.gz MZTNLNUGNGVQBQ-CHWSQXEVSA-N 1 0 332.360 1.725 20 5 EDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000537718574 448568858 /nfs/dbraw/zinc/56/88/58/448568858.db2.gz LIYKIYJDZZPPAX-NSHDSACASA-N 1 0 349.391 1.294 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000536883467 448544774 /nfs/dbraw/zinc/54/47/74/448544774.db2.gz WPHCUORNLPXVJJ-QWHCGFSZSA-N 1 0 341.433 1.978 20 5 EDBDRO C[C@@H]1CN(C[C@@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000578654494 448605904 /nfs/dbraw/zinc/60/59/04/448605904.db2.gz OVZRGKHOTYTFJJ-VBQJREDUSA-N 1 0 337.420 1.197 20 5 EDBDRO CC[NH+]1CCC(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000573406852 448616808 /nfs/dbraw/zinc/61/68/08/448616808.db2.gz MFDCZHITWCFQDG-UHFFFAOYSA-N 1 0 341.433 1.746 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000541819317 448695689 /nfs/dbraw/zinc/69/56/89/448695689.db2.gz MUYQYOULZIRLMJ-CYBMUJFWSA-N 1 0 341.433 1.832 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CCO)c1ccccc1F ZINC000592159148 448717580 /nfs/dbraw/zinc/71/75/80/448717580.db2.gz DMADPNSFVFPOTR-HNNXBMFYSA-N 1 0 335.335 1.609 20 5 EDBDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000592196157 448734582 /nfs/dbraw/zinc/73/45/82/448734582.db2.gz AOGAUSOSTFCPMX-TZMCWYRMSA-N 1 0 338.360 1.220 20 5 EDBDRO CC[NH2+]CCCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000579211885 448740612 /nfs/dbraw/zinc/74/06/12/448740612.db2.gz WOYOCXJIHNWOEW-UHFFFAOYSA-N 1 0 335.408 1.426 20 5 EDBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000567784072 448760530 /nfs/dbraw/zinc/76/05/30/448760530.db2.gz DLJIJTXLBPYRTB-WBMJQRKESA-N 1 0 327.344 1.923 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000592370595 448808766 /nfs/dbraw/zinc/80/87/66/448808766.db2.gz YLVLEAWRSHHJSK-PWSUYJOCSA-N 1 0 343.405 1.351 20 5 EDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592310033 448786097 /nfs/dbraw/zinc/78/60/97/448786097.db2.gz VGODQRHTAPFRMP-GXFFZTMASA-N 1 0 339.417 1.895 20 5 EDBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000586756912 448800015 /nfs/dbraw/zinc/80/00/15/448800015.db2.gz GGUGCXUDZJWGOP-AWEZNQCLSA-N 1 0 343.387 1.960 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000574210854 448818308 /nfs/dbraw/zinc/81/83/08/448818308.db2.gz PNTQXJWNRQJSMA-QGZVFWFLSA-N 1 0 343.387 1.723 20 5 EDBDRO CC(C)(C(=O)Nc1cccc2c1CC[NH2+]C2)n1cc([N+](=O)[O-])cn1 ZINC000579581835 448826390 /nfs/dbraw/zinc/82/63/90/448826390.db2.gz NGNMQDLWRPWPAD-UHFFFAOYSA-N 1 0 329.360 1.811 20 5 EDBDRO O=C(N[C@@H]1CCC[NH2+]C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592455386 448845801 /nfs/dbraw/zinc/84/58/01/448845801.db2.gz WQNHMAPLMGPAGR-CQSZACIVSA-N 1 0 332.404 1.679 20 5 EDBDRO CC(C)C[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1 ZINC000586980943 448832097 /nfs/dbraw/zinc/83/20/97/448832097.db2.gz ZYKWFSMSNPNFEZ-UHFFFAOYSA-N 1 0 347.419 1.563 20 5 EDBDRO CC[C@@H](C)C[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592430652 448832588 /nfs/dbraw/zinc/83/25/88/448832588.db2.gz YNSARAVSRUECIF-CHWSQXEVSA-N 1 0 344.433 1.755 20 5 EDBDRO CC[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH3+] ZINC000592487901 448857955 /nfs/dbraw/zinc/85/79/55/448857955.db2.gz BQMFLSOQXBINRR-DOMZBBRYSA-N 1 0 332.404 1.543 20 5 EDBDRO CC[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@H]1[NH3+] ZINC000592488654 448858974 /nfs/dbraw/zinc/85/89/74/448858974.db2.gz KREGSOQPJAQJJL-DAXOMENPSA-N 1 0 332.404 1.759 20 5 EDBDRO CC[C@@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000592489658 448859096 /nfs/dbraw/zinc/85/90/96/448859096.db2.gz ZCGUXSHBDJDCEM-DOMZBBRYSA-N 1 0 341.433 1.428 20 5 EDBDRO Cc1c(Br)c(=O)n(CC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000574397015 448864091 /nfs/dbraw/zinc/86/40/91/448864091.db2.gz FBLFNMROXAGLFU-VIFPVBQESA-N 1 0 330.182 1.827 20 5 EDBDRO O=C1NC(=O)[C@]2(CCC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)N1 ZINC000588611080 448903162 /nfs/dbraw/zinc/90/31/62/448903162.db2.gz VJEJJSZDIUBVMF-QQNRWZHASA-N 1 0 330.344 1.282 20 5 EDBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000579976448 448929035 /nfs/dbraw/zinc/92/90/35/448929035.db2.gz KIYQMHZXTMSQQW-GMXVVIOVSA-N 1 0 333.392 1.374 20 5 EDBDRO C[C@H]1CCC[N@H+](CCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000589107780 448969615 /nfs/dbraw/zinc/96/96/15/448969615.db2.gz YWFIRXGDMZJCBR-NSHDSACASA-N 1 0 342.421 1.386 20 5 EDBDRO CC(C)Oc1nc(NC[C@@H]2CCC[N@@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000520838160 448937655 /nfs/dbraw/zinc/93/76/55/448937655.db2.gz RPKGYKBJRNGKOS-ZDUSSCGKSA-N 1 0 338.408 2.036 20 5 EDBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589500117 449027277 /nfs/dbraw/zinc/02/72/77/449027277.db2.gz ZDHUQLAACQKTMN-GFCCVEGCSA-N 1 0 335.360 1.339 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](CO)C1CCC1 ZINC000595615068 449080747 /nfs/dbraw/zinc/08/07/47/449080747.db2.gz GASZDVSNDMTZFK-CQSZACIVSA-N 1 0 337.376 1.683 20 5 EDBDRO CNc1nccc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000521988576 449036495 /nfs/dbraw/zinc/03/64/95/449036495.db2.gz LKHBASSUYHVVNG-NEPJUHHUSA-N 1 0 335.408 1.882 20 5 EDBDRO CC1CC[NH+](CCCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000548387966 449036972 /nfs/dbraw/zinc/03/69/72/449036972.db2.gz BXPJEJFXQYHRKG-UHFFFAOYSA-N 1 0 335.408 1.814 20 5 EDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548387528 449037283 /nfs/dbraw/zinc/03/72/83/449037283.db2.gz KYUUKPDDGVZGHE-BETUJISGSA-N 1 0 349.435 2.060 20 5 EDBDRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000522000345 449038608 /nfs/dbraw/zinc/03/86/08/449038608.db2.gz PAWXEHVUWUFKOF-RDJZCZTQSA-N 1 0 347.415 1.882 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597859612 449126614 /nfs/dbraw/zinc/12/66/14/449126614.db2.gz WGMZUDKKPMBVOJ-LLVKDONJSA-N 1 0 335.360 1.926 20 5 EDBDRO CNc1nccc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597859243 449126810 /nfs/dbraw/zinc/12/68/10/449126810.db2.gz BZUOEADHPDMZMK-LLVKDONJSA-N 1 0 335.408 1.882 20 5 EDBDRO COCC1([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCOCC1 ZINC000590068676 449103181 /nfs/dbraw/zinc/10/31/81/449103181.db2.gz NIPOOHZTFFGRPL-UHFFFAOYSA-N 1 0 338.360 1.747 20 5 EDBDRO C[C@@H]1COC2(CCC2)C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595675575 449114021 /nfs/dbraw/zinc/11/40/21/449114021.db2.gz OZSXDNKDXFPFJT-HIFRSBDPSA-N 1 0 336.388 1.978 20 5 EDBDRO C[C@H]1CC[C@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C[NH2+]1 ZINC000599937496 449116228 /nfs/dbraw/zinc/11/62/28/449116228.db2.gz DJYIMORFZYXQCL-KBPBESRZSA-N 1 0 347.419 1.567 20 5 EDBDRO CC(C)(C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000599939952 449118255 /nfs/dbraw/zinc/11/82/55/449118255.db2.gz KADRAETYFMQNSU-KGLIPLIRSA-N 1 0 347.415 1.540 20 5 EDBDRO CCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CC[N@H+](C)C1 ZINC000597945559 449154234 /nfs/dbraw/zinc/15/42/34/449154234.db2.gz IDAXFBOMRFTAHK-OAHLLOKOSA-N 1 0 343.387 1.947 20 5 EDBDRO C[C@@H]1[C@H](C)N(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000593188778 449164242 /nfs/dbraw/zinc/16/42/42/449164242.db2.gz POHLZDGQQSNQBM-MJBXVCDLSA-N 1 0 334.420 1.971 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000590442599 449164358 /nfs/dbraw/zinc/16/43/58/449164358.db2.gz GHEPYOJEOPBYAX-HZMBPMFUSA-N 1 0 333.344 1.158 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000590444166 449165503 /nfs/dbraw/zinc/16/55/03/449165503.db2.gz LSLCEARHWJYNOX-YMTOWFKASA-N 1 0 325.315 1.578 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000590443631 449165948 /nfs/dbraw/zinc/16/59/48/449165948.db2.gz LFJNVTODRMRVBN-WBMJQRKESA-N 1 0 330.388 1.945 20 5 EDBDRO C[C@@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1CC[NH3+] ZINC000593735725 449170739 /nfs/dbraw/zinc/17/07/39/449170739.db2.gz ZKGSYOZAWFBZFB-CZUORRHYSA-N 1 0 346.431 1.933 20 5 EDBDRO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[NH+](C)C ZINC000597993620 449178510 /nfs/dbraw/zinc/17/85/10/449178510.db2.gz UKMKDVLPFRLOFF-GFCCVEGCSA-N 1 0 331.376 1.851 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[C@H](C)[NH+](C)C ZINC000597996324 449181097 /nfs/dbraw/zinc/18/10/97/449181097.db2.gz IQDVXNSHKXMKQQ-RYUDHWBXSA-N 1 0 336.392 1.170 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593233275 449180680 /nfs/dbraw/zinc/18/06/80/449180680.db2.gz NYLPKVAKLNBNJS-UHFFFAOYSA-N 1 0 348.403 1.058 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC3(CCOC3)CC2)c1 ZINC000611177773 449203645 /nfs/dbraw/zinc/20/36/45/449203645.db2.gz KZVXQOCFWICVEZ-OAHLLOKOSA-N 1 0 336.388 1.837 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000590589069 449204654 /nfs/dbraw/zinc/20/46/54/449204654.db2.gz LKMLSBPPLDUOHI-CMPLNLGQSA-N 1 0 343.405 1.317 20 5 EDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000590541632 449182534 /nfs/dbraw/zinc/18/25/34/449182534.db2.gz HAXNPLHHPSWWOI-ZDUSSCGKSA-N 1 0 348.403 1.113 20 5 EDBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)Nc3ccncc3[N+](=O)[O-])C2)C1 ZINC000593762562 449185816 /nfs/dbraw/zinc/18/58/16/449185816.db2.gz BCPGIMPXSKZMPQ-JMSVASOKSA-N 1 0 349.391 1.162 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000593771306 449189666 /nfs/dbraw/zinc/18/96/66/449189666.db2.gz RXIUULIFUADLGH-UHFFFAOYSA-N 1 0 334.376 1.395 20 5 EDBDRO CCOc1cc(C(=O)N[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000604198310 449190516 /nfs/dbraw/zinc/19/05/16/449190516.db2.gz GGTOAWQWXICHMF-NSHDSACASA-N 1 0 337.376 1.826 20 5 EDBDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274882 449245236 /nfs/dbraw/zinc/24/52/36/449245236.db2.gz KSKDAGOLQHJTJZ-MRXNPFEDSA-N 1 0 336.344 1.751 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CC[NH2+]CC2)c1 ZINC000593900914 449273512 /nfs/dbraw/zinc/27/35/12/449273512.db2.gz WYKJCEMHMTVOEW-UHFFFAOYSA-N 1 0 329.360 1.193 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000601975555 449257975 /nfs/dbraw/zinc/25/79/75/449257975.db2.gz XZAYUHKOIISZGP-TXEJJXNPSA-N 1 0 335.360 1.510 20 5 EDBDRO CC1(C)CC[NH2+][C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000595927873 449259189 /nfs/dbraw/zinc/25/91/89/449259189.db2.gz CDYXEWUWZDIADO-OAHLLOKOSA-N 1 0 332.404 1.632 20 5 EDBDRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595986606 449298002 /nfs/dbraw/zinc/29/80/02/449298002.db2.gz IUAMNKHMQUCNAW-UHFFFAOYSA-N 1 0 348.403 1.282 20 5 EDBDRO CC(C)C[N@H+](C)CCCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000593481261 449303828 /nfs/dbraw/zinc/30/38/28/449303828.db2.gz ZODQGLNDDOEEQJ-UHFFFAOYSA-N 1 0 344.437 1.632 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CC(C)(C)[NH3+] ZINC000595949057 449276027 /nfs/dbraw/zinc/27/60/27/449276027.db2.gz WVZPYXZDNXLKAO-SNVBAGLBSA-N 1 0 326.401 1.023 20 5 EDBDRO CO[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000596066836 449345869 /nfs/dbraw/zinc/34/58/69/449345869.db2.gz SOBWZFVBCOKECD-GJZGRUSLSA-N 1 0 326.397 1.337 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2cccc3c2CC[NH2+]C3)c1 ZINC000596069915 449347334 /nfs/dbraw/zinc/34/73/34/449347334.db2.gz JUHRFVZRTMQYAJ-UHFFFAOYSA-N 1 0 343.339 1.237 20 5 EDBDRO O=C1NCCC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000590971861 449364828 /nfs/dbraw/zinc/36/48/28/449364828.db2.gz RAYYVVKRRSXDPZ-SECBINFHSA-N 1 0 329.303 1.812 20 5 EDBDRO C[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602166076 449396973 /nfs/dbraw/zinc/39/69/73/449396973.db2.gz WGCAWJDHWXEQQM-CJNGLKHVSA-N 1 0 335.404 1.661 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000598454636 449404221 /nfs/dbraw/zinc/40/42/21/449404221.db2.gz XNLSSOYGARVWKX-CQSZACIVSA-N 1 0 349.387 1.275 20 5 EDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000596210379 449416530 /nfs/dbraw/zinc/41/65/30/449416530.db2.gz HYSFOWZXGFHVJX-MRXNPFEDSA-N 1 0 348.403 1.335 20 5 EDBDRO COC(=O)[C@](C)(NC(=O)[C@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000600536939 449430539 /nfs/dbraw/zinc/43/05/39/449430539.db2.gz LYYNVZUHVDVVIX-MEDUHNTESA-N 1 0 335.360 1.051 20 5 EDBDRO COCC[N@@H+]1CCCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611702517 449387914 /nfs/dbraw/zinc/38/79/14/449387914.db2.gz VCXYHPIEEJDJRL-UHFFFAOYSA-N 1 0 331.376 1.697 20 5 EDBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC000596157754 449388872 /nfs/dbraw/zinc/38/88/72/449388872.db2.gz DRZIPXWCSGXDNN-CYBMUJFWSA-N 1 0 335.408 1.300 20 5 EDBDRO Cc1cc(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c([N+](=O)[O-])s1 ZINC000596261189 449444275 /nfs/dbraw/zinc/44/42/75/449444275.db2.gz OGDOKQJWHOZKDA-LBPRGKRZSA-N 1 0 338.433 1.755 20 5 EDBDRO C[NH+](C)C1CCC(Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596276536 449452379 /nfs/dbraw/zinc/45/23/79/449452379.db2.gz CPBOVVHBGKJKPG-UHFFFAOYSA-N 1 0 342.421 1.527 20 5 EDBDRO CC(C)[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC[NH2+]1 ZINC000598573807 449471664 /nfs/dbraw/zinc/47/16/64/449471664.db2.gz OVYXVPMRRMTVEI-AWEZNQCLSA-N 1 0 344.375 1.246 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C)C1CC1 ZINC000598599803 449484735 /nfs/dbraw/zinc/48/47/35/449484735.db2.gz FLZUKMMBJOLGFT-UHFFFAOYSA-N 1 0 341.433 1.974 20 5 EDBDRO C[C@@H](CCCC[NH3+])NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598664282 449526941 /nfs/dbraw/zinc/52/69/41/449526941.db2.gz CTNVJFLFQNSXJG-NSHDSACASA-N 1 0 337.380 1.350 20 5 EDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598667939 449529493 /nfs/dbraw/zinc/52/94/93/449529493.db2.gz IGQBQNOXWLWSTD-LBPRGKRZSA-N 1 0 337.380 1.206 20 5 EDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1ccn(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000598668991 449530427 /nfs/dbraw/zinc/53/04/27/449530427.db2.gz FFFMLRZDJYBYKY-YVEFUNNKSA-N 1 0 341.371 1.734 20 5 EDBDRO CCc1nn(C)c(N2CCO[C@@H](CCC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000596569297 449556087 /nfs/dbraw/zinc/55/60/87/449556087.db2.gz WNNHVVHFXHUEHA-LBPRGKRZSA-N 1 0 325.413 1.438 20 5 EDBDRO CC(C)(C)c1ccc(C(=O)N2CCOC3(C[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000596581069 449560641 /nfs/dbraw/zinc/56/06/41/449560641.db2.gz VKDWGJOFULLPBT-UHFFFAOYSA-N 1 0 333.388 1.707 20 5 EDBDRO CO[C@@H]1CN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@@](C)(C[NH3+])C1 ZINC000600882168 449584787 /nfs/dbraw/zinc/58/47/87/449584787.db2.gz BWIFYBGYNKRJAZ-XHDPSFHLSA-N 1 0 339.417 1.895 20 5 EDBDRO CC[NH2+]Cc1ccn(Cc2cn(-c3cccc([N+](=O)[O-])c3)nn2)n1 ZINC000594640922 449600861 /nfs/dbraw/zinc/60/08/61/449600861.db2.gz PTTDIFTWCUFHNQ-UHFFFAOYSA-N 1 0 327.348 1.530 20 5 EDBDRO CN(CCOCC[NH3+])C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000602549759 449668231 /nfs/dbraw/zinc/66/82/31/449668231.db2.gz DIXPSNAEAMBECH-UHFFFAOYSA-N 1 0 346.181 1.405 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000599066061 449716190 /nfs/dbraw/zinc/71/61/90/449716190.db2.gz OYLDSFKKAGNSQO-BYCMXARLSA-N 1 0 337.376 1.441 20 5 EDBDRO CC(C)(C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCOCC1 ZINC000602638513 449721441 /nfs/dbraw/zinc/72/14/41/449721441.db2.gz UQRMTYQFYKFFJA-UHFFFAOYSA-N 1 0 333.392 1.672 20 5 EDBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000599084772 449722261 /nfs/dbraw/zinc/72/22/61/449722261.db2.gz XSJAEIFFXJTXJN-VROVMSAKSA-N 1 0 331.419 1.056 20 5 EDBDRO COc1ccc(S(=O)(=O)NCC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000594816231 449724852 /nfs/dbraw/zinc/72/48/52/449724852.db2.gz FQSDIMFEOBPFEB-JTQLQIEISA-N 1 0 331.394 1.222 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[C@H](C)[NH+](C)C)c1C ZINC000594818306 449727376 /nfs/dbraw/zinc/72/73/76/449727376.db2.gz XFCBMCIJCJXYSU-NSHDSACASA-N 1 0 329.422 1.830 20 5 EDBDRO Cn1ccnc1[C@H](NCC[N@@H+]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599094815 449728455 /nfs/dbraw/zinc/72/84/55/449728455.db2.gz YKJVMDOYEPSGLT-JKSUJKDBSA-N 1 0 345.403 1.074 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000599098797 449730394 /nfs/dbraw/zinc/73/03/94/449730394.db2.gz BGRNUYWHOIIKKY-CQSZACIVSA-N 1 0 341.433 1.830 20 5 EDBDRO CCN(CC[NH3+])S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000599098594 449730774 /nfs/dbraw/zinc/73/07/74/449730774.db2.gz MWUPJDDTTDSNSL-UHFFFAOYSA-N 1 0 341.311 1.583 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[NH2+]C[C@H]2C(C)C)c1 ZINC000599102514 449734161 /nfs/dbraw/zinc/73/41/61/449734161.db2.gz PCUFZLUXMSPSPJ-AWEZNQCLSA-N 1 0 341.433 1.830 20 5 EDBDRO COCC[N@H+](C)CCN1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000601177923 449735181 /nfs/dbraw/zinc/73/51/81/449735181.db2.gz DWYURYSADIHYQP-AWEZNQCLSA-N 1 0 336.392 1.186 20 5 EDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000602597984 449695387 /nfs/dbraw/zinc/69/53/87/449695387.db2.gz XGZAPALYZYNACE-JGVFFNPUSA-N 1 0 328.166 1.919 20 5 EDBDRO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602697227 449755515 /nfs/dbraw/zinc/75/55/15/449755515.db2.gz DYGDOERHMFVTGD-OLQVQODUSA-N 1 0 334.195 1.772 20 5 EDBDRO CON1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602699793 449756723 /nfs/dbraw/zinc/75/67/23/449756723.db2.gz RIOJFLXCPUWAKY-UHFFFAOYSA-N 1 0 335.408 1.574 20 5 EDBDRO CC[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CO1 ZINC000594921231 449807030 /nfs/dbraw/zinc/80/70/30/449807030.db2.gz GTKWQZTZXOFYMS-NWDGAFQWSA-N 1 0 343.405 1.030 20 5 EDBDRO O=[N+]([O-])c1ccccc1CNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000601308644 449818830 /nfs/dbraw/zinc/81/88/30/449818830.db2.gz BFAYCOJBCYGVIN-UHFFFAOYSA-N 1 0 327.406 1.500 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601334135 449842548 /nfs/dbraw/zinc/84/25/48/449842548.db2.gz IXIRZBQENACLBO-IUODEOHRSA-N 1 0 348.403 1.616 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601344836 449854457 /nfs/dbraw/zinc/85/44/57/449854457.db2.gz GFCIULLPQXAWMI-ONGXEEELSA-N 1 0 345.446 1.822 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c([N+](=O)[O-])s1 ZINC000601344834 449854914 /nfs/dbraw/zinc/85/49/14/449854914.db2.gz GFCIULLPQXAWMI-KOLCDFICSA-N 1 0 345.446 1.822 20 5 EDBDRO CCN(C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[C@@H]1CC[N@H+](C)C1 ZINC000595101264 449868539 /nfs/dbraw/zinc/86/85/39/449868539.db2.gz CRULANVECVRANE-CYBMUJFWSA-N 1 0 348.403 1.703 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c(C)cc1[N+](=O)[O-] ZINC000595103073 449869865 /nfs/dbraw/zinc/86/98/65/449869865.db2.gz WGXUKLCDSMOEEV-YGRLFVJLSA-N 1 0 341.433 1.960 20 5 EDBDRO [NH3+]CC12CC(C1)CN2S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000595119044 449879746 /nfs/dbraw/zinc/87/97/46/449879746.db2.gz ZCRHQWHBUASDHQ-UHFFFAOYSA-N 1 0 331.781 1.360 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCC12CC(C1)C[NH2+]2 ZINC000595121606 449882641 /nfs/dbraw/zinc/88/26/41/449882641.db2.gz GHEYDAXERORBJA-UHFFFAOYSA-N 1 0 331.781 1.279 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@H](C)[NH+](C)C ZINC000595125183 449885172 /nfs/dbraw/zinc/88/51/72/449885172.db2.gz KAYSGRRCFLHFGO-NSHDSACASA-N 1 0 336.392 1.552 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000601422308 449939565 /nfs/dbraw/zinc/93/95/65/449939565.db2.gz PQTXEUKIEQCCET-WDEREUQCSA-N 1 0 343.405 1.317 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000602915675 449917957 /nfs/dbraw/zinc/91/79/57/449917957.db2.gz OEIQUUOKIXVWTD-UHFFFAOYSA-N 1 0 328.376 1.825 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595222573 449956981 /nfs/dbraw/zinc/95/69/81/449956981.db2.gz OCTVEFDAJPVWCC-AWEZNQCLSA-N 1 0 335.408 1.420 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000595223832 449957117 /nfs/dbraw/zinc/95/71/17/449957117.db2.gz BNSVDMOSHCXFGA-QWHCGFSZSA-N 1 0 335.408 1.631 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1([NH+](C)C)CC1 ZINC000601449176 449972726 /nfs/dbraw/zinc/97/27/26/449972726.db2.gz VBZUJMCQGNMXEP-UHFFFAOYSA-N 1 0 327.406 1.530 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000595353356 450067436 /nfs/dbraw/zinc/06/74/36/450067436.db2.gz GTKMHPTXNDSKRE-GFCCVEGCSA-N 1 0 327.406 1.666 20 5 EDBDRO Cc1nn(CCC(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000601558817 450072702 /nfs/dbraw/zinc/07/27/02/450072702.db2.gz SMNQPVHVMMRFAB-UONOGXRCSA-N 1 0 335.408 1.399 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)CC(C)(C)C ZINC000609483515 450034882 /nfs/dbraw/zinc/03/48/82/450034882.db2.gz RZOMPUJRCTXGLN-UHFFFAOYSA-N 1 0 339.392 1.882 20 5 EDBDRO CC[C@@H]1[C@@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC[N@@H+]1C ZINC000601539241 450060416 /nfs/dbraw/zinc/06/04/16/450060416.db2.gz PMFLABLYLPHJEP-UONOGXRCSA-N 1 0 335.408 1.685 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000613306237 450128510 /nfs/dbraw/zinc/12/85/10/450128510.db2.gz YWYKXGYXRYXCOL-GFCCVEGCSA-N 1 0 334.376 1.361 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000597586034 450129143 /nfs/dbraw/zinc/12/91/43/450129143.db2.gz KGUHFNDSNAOCPQ-INIZCTEOSA-N 1 0 339.367 1.192 20 5 EDBDRO CCOC[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000599618149 450107344 /nfs/dbraw/zinc/10/73/44/450107344.db2.gz KMOATRLFKXWDIU-KGLIPLIRSA-N 1 0 340.376 1.072 20 5 EDBDRO CC(C)[C@@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000595413860 450126186 /nfs/dbraw/zinc/12/61/86/450126186.db2.gz YEKKNLUZWOOAGW-HNNXBMFYSA-N 1 0 341.433 1.397 20 5 EDBDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000599694437 450158676 /nfs/dbraw/zinc/15/86/76/450158676.db2.gz UCEZXQOPDDDOHO-CQSZACIVSA-N 1 0 341.433 1.399 20 5 EDBDRO C[N@@H+]1C[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000599696914 450159750 /nfs/dbraw/zinc/15/97/50/450159750.db2.gz LUYHDAAXHKQPIG-CVEARBPZSA-N 1 0 343.387 1.253 20 5 EDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](CO)C[NH+](C)C ZINC000597655683 450174601 /nfs/dbraw/zinc/17/46/01/450174601.db2.gz ZYVGHAZSAUFAQC-KOLCDFICSA-N 1 0 345.783 1.054 20 5 EDBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610263703 450175379 /nfs/dbraw/zinc/17/53/79/450175379.db2.gz BFMZIDYPDWDPSY-GFCCVEGCSA-N 1 0 342.421 1.533 20 5 EDBDRO COCC1([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCOCC1 ZINC000595498506 450186358 /nfs/dbraw/zinc/18/63/58/450186358.db2.gz DJMJMPMFLMIZDV-UHFFFAOYSA-N 1 0 337.376 1.627 20 5 EDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000610484785 450239501 /nfs/dbraw/zinc/23/95/01/450239501.db2.gz CRHZFBSMILQYCC-UHFFFAOYSA-N 1 0 343.387 1.816 20 5 EDBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cnc[nH]1 ZINC000595592806 450251308 /nfs/dbraw/zinc/25/13/08/450251308.db2.gz QSKFKPCZYQRMSI-UHFFFAOYSA-N 1 0 331.332 1.748 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)nc2c1 ZINC000618584713 450253198 /nfs/dbraw/zinc/25/31/98/450253198.db2.gz HFPWOVDQBVEURB-LSDHHAIUSA-N 1 0 331.376 1.507 20 5 EDBDRO CS(=O)(=O)NC1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000619747965 450325545 /nfs/dbraw/zinc/32/55/45/450325545.db2.gz IYKRFWOHUJBEJA-UHFFFAOYSA-N 1 0 333.797 1.418 20 5 EDBDRO Cn1c(C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)ccc1[N+](=O)[O-] ZINC000610761961 450326180 /nfs/dbraw/zinc/32/61/80/450326180.db2.gz QMNXMINTOHXJGN-GFCCVEGCSA-N 1 0 344.371 1.903 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000619481330 450485389 /nfs/dbraw/zinc/48/53/89/450485389.db2.gz GAKRJSPQONLBHO-ZDUSSCGKSA-N 1 0 336.440 1.700 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459648021 486636786 /nfs/dbraw/zinc/63/67/86/486636786.db2.gz BPDTXTPUVWMFOU-IJEWVQPXSA-N 1 0 348.399 1.835 20 5 EDBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000363999549 491018128 /nfs/dbraw/zinc/01/81/28/491018128.db2.gz NVAPUVKQYIFXFC-GFCCVEGCSA-N 1 0 330.348 1.047 20 5 EDBDRO COc1cc(CCNC(=O)[C@@H]([NH3+])C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000178348938 533764301 /nfs/dbraw/zinc/76/43/01/533764301.db2.gz RBZISMUSJZKRGO-CQSZACIVSA-N 1 0 339.392 1.644 20 5 EDBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000184324471 533915114 /nfs/dbraw/zinc/91/51/14/533915114.db2.gz PVRQQXMCZOWTRK-GFCCVEGCSA-N 1 0 338.383 1.490 20 5 EDBDRO COC(=O)N1CC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000178171006 533930232 /nfs/dbraw/zinc/93/02/32/533930232.db2.gz VDMLXTRNHSHOCO-UHFFFAOYSA-N 1 0 345.359 1.536 20 5 EDBDRO C[C@@H]1CC[C@](CO)([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000188006996 534264459 /nfs/dbraw/zinc/26/44/59/534264459.db2.gz KCNHMFKPMUKKGZ-KEYYUXOJSA-N 1 0 338.404 1.817 20 5 EDBDRO CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@H](C[NH3+])C1CC1 ZINC000423944242 517894085 /nfs/dbraw/zinc/89/40/85/517894085.db2.gz HHDFFUAKDZSELG-OAHLLOKOSA-N 1 0 329.360 1.590 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000165289831 534399206 /nfs/dbraw/zinc/39/92/06/534399206.db2.gz FBZRRPMEWFNTSJ-MRVPVSSYSA-N 1 0 328.166 1.791 20 5 EDBDRO CC(C)(C)[NH2+]CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000153834704 526331319 /nfs/dbraw/zinc/33/13/19/526331319.db2.gz KGGFVXYFSCLCON-UHFFFAOYSA-N 1 0 343.405 1.116 20 5 EDBDRO CCC[N@H+](CC)CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000174671688 527975614 /nfs/dbraw/zinc/97/56/14/527975614.db2.gz WXWNMYIGWZHUOK-UHFFFAOYSA-N 1 0 346.387 1.898 20 5 EDBDRO CCN(CCC[NH+](C)C)c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000190289720 528442650 /nfs/dbraw/zinc/44/26/50/528442650.db2.gz YASOPWMXDNPJBI-UHFFFAOYSA-N 1 0 344.437 1.281 20 5 EDBDRO CC[N@@H+]1CCC[C@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000161101345 529092916 /nfs/dbraw/zinc/09/29/16/529092916.db2.gz KAMNVGWERVJHSH-AWEZNQCLSA-N 1 0 341.433 1.541 20 5 EDBDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000271435790 535803911 /nfs/dbraw/zinc/80/39/11/535803911.db2.gz FLTQUKRXNSVAHH-GFCCVEGCSA-N 1 0 327.406 1.651 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)n1 ZINC000270790150 535864330 /nfs/dbraw/zinc/86/43/30/535864330.db2.gz LVYVPOYOEUBGAI-UHFFFAOYSA-N 1 0 349.366 1.671 20 5 EDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272261063 535949485 /nfs/dbraw/zinc/94/94/85/535949485.db2.gz BBSYKNPHNJIGRC-ZDUSSCGKSA-N 1 0 331.319 1.115 20 5 EDBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000107284721 536355469 /nfs/dbraw/zinc/35/54/69/536355469.db2.gz KQSRXGKIGHJPND-CYBMUJFWSA-N 1 0 336.392 1.430 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000353211791 536476764 /nfs/dbraw/zinc/47/67/64/536476764.db2.gz VFFPDHQTEBNCQC-GXTWGEPZSA-N 1 0 338.360 1.540 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCC[NH+]1CCCC1 ZINC000339436451 536952715 /nfs/dbraw/zinc/95/27/15/536952715.db2.gz BYJGIXGLOPSRNA-UHFFFAOYSA-N 1 0 336.392 1.889 20 5 EDBDRO CNS(=O)(=O)c1ccc(NCC[N@@H+]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000742426849 579451811 /nfs/dbraw/zinc/45/18/11/579451811.db2.gz CLAPOBIWBIWFFA-NSHDSACASA-N 1 0 342.421 1.399 20 5 EDBDRO C[NH+](C)CCOC1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000738210240 578624532 /nfs/dbraw/zinc/62/45/32/578624532.db2.gz PZFHIJXUJAQZDO-UHFFFAOYSA-N 1 0 347.419 1.945 20 5 EDBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000732042789 578688213 /nfs/dbraw/zinc/68/82/13/578688213.db2.gz FUGMRCBRGQIZFN-CQSZACIVSA-N 1 0 330.388 1.771 20 5 EDBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736292177 578974617 /nfs/dbraw/zinc/97/46/17/578974617.db2.gz IOBMGJIVYABFOU-AAEUAGOBSA-N 1 0 343.391 1.838 20 5 EDBDRO CNC(=O)c1ccc(C[N@H+](CCn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000746656188 579605440 /nfs/dbraw/zinc/60/54/40/579605440.db2.gz UQZKNCWJIFQPDD-UHFFFAOYSA-N 1 0 343.387 1.816 20 5 EDBDRO C[NH+](C)C[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000749391182 579724707 /nfs/dbraw/zinc/72/47/07/579724707.db2.gz BIZRSDDKVBPMBK-LLVKDONJSA-N 1 0 342.421 1.020 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000750094802 579751796 /nfs/dbraw/zinc/75/17/96/579751796.db2.gz RECMGYCLQWBJHK-WMLDXEAASA-N 1 0 335.404 1.282 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NCC[N@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000755135497 579920986 /nfs/dbraw/zinc/92/09/86/579920986.db2.gz CONONOYEMLPUPS-ZDUSSCGKSA-N 1 0 341.433 1.974 20 5 EDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000765930639 580153820 /nfs/dbraw/zinc/15/38/20/580153820.db2.gz QFYYKMHREUUFQH-STQMWFEESA-N 1 0 345.403 1.886 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCOC3(CCOCC3)CC2)cc1 ZINC000769229028 580231690 /nfs/dbraw/zinc/23/16/90/580231690.db2.gz TUPPCESVAUYMBN-MRXNPFEDSA-N 1 0 336.388 1.900 20 5 EDBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771510080 580288198 /nfs/dbraw/zinc/28/81/98/580288198.db2.gz RJVWGFJSPVVFBE-NSHDSACASA-N 1 0 347.400 1.814 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000771800166 580294413 /nfs/dbraw/zinc/29/44/13/580294413.db2.gz GUIDCCRLQOMYEV-CYBMUJFWSA-N 1 0 337.376 1.683 20 5 EDBDRO C/C(=C/C(=O)N1CC[N@H+](CCO)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000781677515 580554358 /nfs/dbraw/zinc/55/43/58/580554358.db2.gz VLIYBJTXIPXBLJ-OWBHPGMISA-N 1 0 347.415 1.913 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@@H+]1C ZINC000781989268 580562714 /nfs/dbraw/zinc/56/27/14/580562714.db2.gz FZINRLKRJFMQSB-XHBSWPGZSA-N 1 0 346.387 1.687 20 5 EDBDRO C/C(=C\C(=O)N1CCN(CC[NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785062616 580634845 /nfs/dbraw/zinc/63/48/45/580634845.db2.gz JLMGGUCNTOKSFW-CCEZHUSRSA-N 1 0 346.431 1.704 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000786780998 580679062 /nfs/dbraw/zinc/67/90/62/580679062.db2.gz GLKIVUZRADVMRG-LBPRGKRZSA-N 1 0 341.433 1.776 20 5 EDBDRO Cc1cc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000788207708 580714087 /nfs/dbraw/zinc/71/40/87/580714087.db2.gz GXQBDTDYQVBRMR-MRXNPFEDSA-N 1 0 336.392 1.014 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000791255216 580787512 /nfs/dbraw/zinc/78/75/12/580787512.db2.gz RCMSCUSCYHLCHZ-HNNXBMFYSA-N 1 0 341.795 1.777 20 5 EDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794633018 580900929 /nfs/dbraw/zinc/90/09/29/580900929.db2.gz KFCBSJFNVGCOJF-OLZOCXBDSA-N 1 0 346.387 1.876 20 5 EDBDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C[C@@H]21 ZINC000794970349 580909471 /nfs/dbraw/zinc/90/94/71/580909471.db2.gz YIVCLSOSYKIZPW-VIKVFOODSA-N 1 0 347.371 1.583 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)c1 ZINC000800398696 581052293 /nfs/dbraw/zinc/05/22/93/581052293.db2.gz RJWLAQAPMYHYRJ-UKRRQHHQSA-N 1 0 336.779 1.563 20 5 EDBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000890884643 590831790 /nfs/dbraw/zinc/83/17/90/590831790.db2.gz YYJRDMVAMSKYOC-UHFFFAOYSA-N 1 0 347.419 1.991 20 5 EDBDRO COc1c(O)ccc(C[NH2+][C@H](C)CN2CCOCC2)c1[N+](=O)[O-] ZINC000892580770 591079504 /nfs/dbraw/zinc/07/95/04/591079504.db2.gz MFDIDSSTFDRIMC-LLVKDONJSA-N 1 0 325.365 1.119 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000892939296 591231595 /nfs/dbraw/zinc/23/15/95/591231595.db2.gz PFVJYDPDEXZMCU-WDEREUQCSA-N 1 0 328.390 1.516 20 5 EDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000895681226 591252108 /nfs/dbraw/zinc/25/21/08/591252108.db2.gz NRLIOVNJOBILKT-ZDUSSCGKSA-N 1 0 345.403 1.910 20 5 EDBDRO C[C@@H]1[C@@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000895740922 591262786 /nfs/dbraw/zinc/26/27/86/591262786.db2.gz USLOCWMESZZQJQ-PWSUYJOCSA-N 1 0 342.421 1.350 20 5 EDBDRO O=[N+]([O-])c1c(NC[C@@H]2CC[N@@H+]2C2CCOCC2)nc2sccn21 ZINC000896515386 591487689 /nfs/dbraw/zinc/48/76/89/591487689.db2.gz BYUBYRAWCBFEQM-NSHDSACASA-N 1 0 337.405 1.969 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1C ZINC000896708632 591588792 /nfs/dbraw/zinc/58/87/92/591588792.db2.gz VOYWXHQPGDWOTD-ZDUSSCGKSA-N 1 0 348.447 1.825 20 5 EDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896957386 591695256 /nfs/dbraw/zinc/69/52/56/591695256.db2.gz ZCAVQBSVOPIDDR-ZDUSSCGKSA-N 1 0 339.779 1.585 20 5 EDBDRO CCO[C@H]1CCN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000899248432 591749089 /nfs/dbraw/zinc/74/90/89/591749089.db2.gz PZYCWJSVCNPUCK-UONOGXRCSA-N 1 0 333.344 1.338 20 5 EDBDRO O=[N+]([O-])c1cc(CO)c(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1F ZINC000897219253 591773295 /nfs/dbraw/zinc/77/32/95/591773295.db2.gz JXOGDRFJRJVHJA-UONOGXRCSA-N 1 0 339.367 1.262 20 5 EDBDRO O=C(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)N1CCc2ccccc21 ZINC000895487342 591773796 /nfs/dbraw/zinc/77/37/96/591773796.db2.gz FMBXWGREEASQSC-UHFFFAOYSA-N 1 0 341.371 1.674 20 5 EDBDRO [NH3+]C[C@@H]1CC2(CO1)CCN(c1nc3ccccn3c1[N+](=O)[O-])CC2 ZINC000900363609 591995796 /nfs/dbraw/zinc/99/57/96/591995796.db2.gz NJPUTSWBAJIIRF-LBPRGKRZSA-N 1 0 331.376 1.577 20 5 EDBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903028839 592108752 /nfs/dbraw/zinc/10/87/52/592108752.db2.gz XYJJCUAJWHGABG-ZDUSSCGKSA-N 1 0 329.360 1.950 20 5 EDBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903028838 592109030 /nfs/dbraw/zinc/10/90/30/592109030.db2.gz XYJJCUAJWHGABG-CYBMUJFWSA-N 1 0 329.360 1.950 20 5 EDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[C@@H]1C[N@H+](C)CCN1C ZINC000900807679 592130607 /nfs/dbraw/zinc/13/06/07/592130607.db2.gz UYRHEHJLRCZUBC-WBMJQRKESA-N 1 0 349.435 1.025 20 5 EDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000903589736 592225852 /nfs/dbraw/zinc/22/58/52/592225852.db2.gz JZHDIVVQBIQYGE-UHFFFAOYSA-N 1 0 335.813 1.867 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000908278376 592422111 /nfs/dbraw/zinc/42/21/11/592422111.db2.gz HADSIPYZBWVRPG-DOMZBBRYSA-N 1 0 335.360 1.795 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000908282124 592423156 /nfs/dbraw/zinc/42/31/56/592423156.db2.gz SMQQEZPIKQMMCI-UHFFFAOYSA-N 1 0 336.392 1.425 20 5 EDBDRO CON(C)C(=O)CC[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000905428474 592532255 /nfs/dbraw/zinc/53/22/55/592532255.db2.gz UOAQWUOHTKJTMJ-UHFFFAOYSA-N 1 0 346.181 1.857 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000905568164 592568855 /nfs/dbraw/zinc/56/88/55/592568855.db2.gz SFYFNAFRSOXAIF-IAOVAPTHSA-N 1 0 336.388 1.883 20 5 EDBDRO CCN(c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000905674136 592608028 /nfs/dbraw/zinc/60/80/28/592608028.db2.gz JDFWBLQGBVBTDC-SECBINFHSA-N 1 0 349.359 1.779 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000911775105 593002545 /nfs/dbraw/zinc/00/25/45/593002545.db2.gz QSTZXHDKCSWBBA-NSHDSACASA-N 1 0 335.360 1.438 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)CC[NH2+]1 ZINC000911803758 593013392 /nfs/dbraw/zinc/01/33/92/593013392.db2.gz WBWFFVXKWFTLRG-GFCCVEGCSA-N 1 0 329.360 1.274 20 5 EDBDRO CCO[C@H]1C[NH2+][C@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000912001546 593047642 /nfs/dbraw/zinc/04/76/42/593047642.db2.gz QVICISNSTCBDNZ-KGLIPLIRSA-N 1 0 348.403 1.010 20 5 EDBDRO CC[N@H+]1[C@H](C)CN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000912023091 593053249 /nfs/dbraw/zinc/05/32/49/593053249.db2.gz CSAONSUCLUQTEC-BETUJISGSA-N 1 0 349.387 1.727 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(Cn3ncc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000840084713 593147203 /nfs/dbraw/zinc/14/72/03/593147203.db2.gz XFWIQPKDQHIDOF-DLBZAZTESA-N 1 0 345.403 1.697 20 5 EDBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000808160106 593231166 /nfs/dbraw/zinc/23/11/66/593231166.db2.gz NBZGUOYJPMTLQJ-NWDGAFQWSA-N 1 0 339.779 1.529 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000840133917 593250761 /nfs/dbraw/zinc/25/07/61/593250761.db2.gz UUTVBPWESUJURZ-HIFRSBDPSA-N 1 0 328.376 1.447 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840335016 593572692 /nfs/dbraw/zinc/57/26/92/593572692.db2.gz MGMYNDKTEKBOPQ-ARFHVFGLSA-N 1 0 332.404 1.560 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2noc(-c3cn([C@H]4CCC[NH2+]C4)nn3)n2)c1 ZINC000818378882 593695534 /nfs/dbraw/zinc/69/55/34/593695534.db2.gz YNEYMDCLIMITDW-LBPRGKRZSA-N 1 0 341.331 1.828 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821625105 593885460 /nfs/dbraw/zinc/88/54/60/593885460.db2.gz FWMKIMYPCVTROE-RISCZKNCSA-N 1 0 343.391 1.695 20 5 EDBDRO CC(C)C[N@@H+]1CCC[C@@H]1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000824261177 593969791 /nfs/dbraw/zinc/96/97/91/593969791.db2.gz DDDPUVORHVTHRA-LLVKDONJSA-N 1 0 346.395 1.702 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CN(C)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821268630 594003323 /nfs/dbraw/zinc/00/33/23/594003323.db2.gz YSFAZGJOFUEOPK-SNVBAGLBSA-N 1 0 332.368 1.090 20 5 EDBDRO COCC[N@H+](C)C[C@@H](O)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000821391298 594035657 /nfs/dbraw/zinc/03/56/57/594035657.db2.gz JFMIBLXURMKZIE-CQSZACIVSA-N 1 0 345.827 1.619 20 5 EDBDRO [NH3+]CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(F)(F)F ZINC000825207026 594147699 /nfs/dbraw/zinc/14/76/99/594147699.db2.gz BRMTYIRBTVOYNI-JTQLQIEISA-N 1 0 339.245 1.509 20 5 EDBDRO O=C(Cc1noc([C@@H]2CCC[NH2+]C2)n1)NCc1ccc([N+](=O)[O-])cc1 ZINC000823115273 594155707 /nfs/dbraw/zinc/15/57/07/594155707.db2.gz JBWYSBBXXSFRHW-GFCCVEGCSA-N 1 0 345.359 1.304 20 5 EDBDRO C[N@@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)CC2 ZINC000826033547 594311139 /nfs/dbraw/zinc/31/11/39/594311139.db2.gz GUSFWROATOIPJT-UHFFFAOYSA-N 1 0 343.391 1.840 20 5 EDBDRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000829299582 594594419 /nfs/dbraw/zinc/59/44/19/594594419.db2.gz VOCNJORRFKAAKY-UHFFFAOYSA-N 1 0 333.388 1.779 20 5 EDBDRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000829584257 594645068 /nfs/dbraw/zinc/64/50/68/594645068.db2.gz XUOFLSAYZMWBLH-UHFFFAOYSA-N 1 0 337.424 1.768 20 5 EDBDRO CCO[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C[NH+](C)C ZINC000831751127 594699343 /nfs/dbraw/zinc/69/93/43/594699343.db2.gz DQCHVPHGZDRTMN-LBPRGKRZSA-N 1 0 343.355 1.196 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000841149526 594859019 /nfs/dbraw/zinc/85/90/19/594859019.db2.gz MTZZZOLPFCTELI-UHFFFAOYSA-N 1 0 338.339 1.178 20 5 EDBDRO C[C@@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1[NH3+] ZINC000841175779 594863546 /nfs/dbraw/zinc/86/35/46/594863546.db2.gz JADJCPVORUUHIQ-KCJUWKMLSA-N 1 0 340.767 1.382 20 5 EDBDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000841178881 594864403 /nfs/dbraw/zinc/86/44/03/594864403.db2.gz UVBSMKSEJJLQAA-JTQLQIEISA-N 1 0 336.392 1.636 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000841221408 594871446 /nfs/dbraw/zinc/87/14/46/594871446.db2.gz BOURDSHTAWZPMG-UHFFFAOYSA-N 1 0 338.339 1.321 20 5 EDBDRO C[NH+](C)C1(CNC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000841454785 594902406 /nfs/dbraw/zinc/90/24/06/594902406.db2.gz ICBFBMCQJXMAJP-CQSZACIVSA-N 1 0 332.360 1.298 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843380573 595095108 /nfs/dbraw/zinc/09/51/08/595095108.db2.gz WXAYGLUBAHCEGA-JQWIXIFHSA-N 1 0 342.346 1.694 20 5 EDBDRO O=C(CO[C@H]1CCC[NH2+]C1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000843449435 595115425 /nfs/dbraw/zinc/11/54/25/595115425.db2.gz NEWLLBZARJCJSI-LBPRGKRZSA-N 1 0 327.768 1.633 20 5 EDBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000842518032 595125903 /nfs/dbraw/zinc/12/59/03/595125903.db2.gz RCKWKTWMZGDAIX-AOOOYVTPSA-N 1 0 327.743 1.608 20 5 EDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000843757074 595179089 /nfs/dbraw/zinc/17/90/89/595179089.db2.gz IYIBZFVHLCOFLU-UHFFFAOYSA-N 1 0 338.383 1.410 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc([N+](=O)[O-])c1F ZINC000842815137 595207482 /nfs/dbraw/zinc/20/74/82/595207482.db2.gz PKCHDQOKZIXQSX-NXEZZACHSA-N 1 0 331.369 1.461 20 5 EDBDRO CCC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](O)c1ccccc1 ZINC000843088033 595284027 /nfs/dbraw/zinc/28/40/27/595284027.db2.gz LVXZLLTWBYMUNT-IXDOHACOSA-N 1 0 348.403 1.644 20 5 EDBDRO [NH3+]CCc1noc(CCCn2c3ccc([N+](=O)[O-])cc3oc2=O)n1 ZINC000843130228 595293100 /nfs/dbraw/zinc/29/31/00/595293100.db2.gz CATDRHCGOIRSSH-UHFFFAOYSA-N 1 0 333.304 1.020 20 5 EDBDRO O=C1O[C@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CN1C1CC1 ZINC000844324710 595324709 /nfs/dbraw/zinc/32/47/09/595324709.db2.gz PYNVMNRFFRPRAM-CYBMUJFWSA-N 1 0 335.364 1.411 20 5 EDBDRO COCC[NH+]1CCC(OC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000847880288 595495331 /nfs/dbraw/zinc/49/53/31/595495331.db2.gz HWYHHKMGDUWVOF-UHFFFAOYSA-N 1 0 338.360 1.871 20 5 EDBDRO O=C(NC[C@H]1C[NH2+]CCCO1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857768375 595601611 /nfs/dbraw/zinc/60/16/11/595601611.db2.gz OZRPUIHSVOSOOM-GFCCVEGCSA-N 1 0 345.302 1.061 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857768129 595601708 /nfs/dbraw/zinc/60/17/08/595601708.db2.gz NEXVKSHZMJHUEF-UWVGGRQHSA-N 1 0 329.303 1.762 20 5 EDBDRO CCN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000855360547 595685452 /nfs/dbraw/zinc/68/54/52/595685452.db2.gz HDDOZUXMDMNOBF-CYBMUJFWSA-N 1 0 335.360 1.339 20 5 EDBDRO C[C@@]12COC[C@H]1C[N@H+](Cn1cnc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000853565379 595806193 /nfs/dbraw/zinc/80/61/93/595806193.db2.gz DYVFYQRKSXIWJF-CZUORRHYSA-N 1 0 329.360 1.779 20 5 EDBDRO O=C(N1CCC[C@@H]2[NH2+]CC[C@@H]21)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000864620895 596286557 /nfs/dbraw/zinc/28/65/57/596286557.db2.gz RAYNOFRCLYGMLG-STQMWFEESA-N 1 0 341.314 1.919 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+]CCC2(C)C)c(C)cc1[N+](=O)[O-] ZINC000866803574 596355237 /nfs/dbraw/zinc/35/52/37/596355237.db2.gz XHGYWXIHERGHNZ-UHFFFAOYSA-N 1 0 341.433 1.974 20 5 EDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000862629008 596367081 /nfs/dbraw/zinc/36/70/81/596367081.db2.gz LWGZXDARGJPWIH-GFCCVEGCSA-N 1 0 333.392 1.709 20 5 EDBDRO C[C@@H]1C[C@@H](N2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@@H+]1C ZINC000863504835 596603905 /nfs/dbraw/zinc/60/39/05/596603905.db2.gz YYFFWVJTKZRNAZ-BTJLNZGRSA-N 1 0 346.387 1.845 20 5 EDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000869778762 596630371 /nfs/dbraw/zinc/63/03/71/596630371.db2.gz JIFSYFJTFOXHBI-JTQLQIEISA-N 1 0 341.795 1.823 20 5 EDBDRO O=C1OC[C@]2(C[NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])COCCN12 ZINC000865770536 596676496 /nfs/dbraw/zinc/67/64/96/596676496.db2.gz SBCAZYNXFFPTCK-AWEZNQCLSA-N 1 0 341.751 1.559 20 5 EDBDRO O=C1OC[C@@]2(C[NH2+]Cc3ccc([N+](=O)[O-])cc3F)COCCN12 ZINC000865770164 596676804 /nfs/dbraw/zinc/67/68/04/596676804.db2.gz OSMMNDUROVMVGI-CQSZACIVSA-N 1 0 325.296 1.045 20 5 EDBDRO CCOC(=O)c1ccnc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000866206001 596827037 /nfs/dbraw/zinc/82/70/37/596827037.db2.gz PXHAXXKYABGXKW-YPMHNXCESA-N 1 0 334.376 1.697 20 5 EDBDRO COc1cccc(N2CCC([NH+]3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000866212973 596829883 /nfs/dbraw/zinc/82/98/83/596829883.db2.gz LTFMIEXHDGJSQQ-UHFFFAOYSA-N 1 0 334.420 1.820 20 5 EDBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ccc([N+](=O)[O-])c2nonc21 ZINC000866256245 596839052 /nfs/dbraw/zinc/83/90/52/596839052.db2.gz HQMBOYCDHRNJPD-UHFFFAOYSA-N 1 0 347.375 1.680 20 5 EDBDRO O=C1N(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000872786293 597067332 /nfs/dbraw/zinc/06/73/32/597067332.db2.gz XKGZTVLRBHONMD-BETUJISGSA-N 1 0 332.360 1.373 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCOCCS(C)(=O)=O ZINC000873060495 597175672 /nfs/dbraw/zinc/17/56/72/597175672.db2.gz KBTFRTMRTKHBAU-UHFFFAOYSA-N 1 0 330.406 1.362 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000874851149 597201691 /nfs/dbraw/zinc/20/16/91/597201691.db2.gz ZNJIZSPSSMPGLM-HUUCEWRRSA-N 1 0 346.387 1.020 20 5 EDBDRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000876895771 597375230 /nfs/dbraw/zinc/37/52/30/597375230.db2.gz KYWGXDWVSJETOZ-BTBCPRSTSA-N 1 0 333.392 1.367 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877344009 597496943 /nfs/dbraw/zinc/49/69/43/597496943.db2.gz CGAFQJSRMIHJNF-HNNXBMFYSA-N 1 0 340.383 1.837 20 5 EDBDRO Cn1nccc1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000877362618 597501548 /nfs/dbraw/zinc/50/15/48/597501548.db2.gz GDHSTHDXDBOPIS-UHFFFAOYSA-N 1 0 330.392 1.524 20 5 EDBDRO C[C@]12C[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@@]1(C)C(=O)NC2=O ZINC000877668046 597546464 /nfs/dbraw/zinc/54/64/64/597546464.db2.gz MTPKUYRYPNJTOL-GASCZTMLSA-N 1 0 337.763 1.733 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]C2CCSCC2)c1 ZINC000126767237 597562273 /nfs/dbraw/zinc/56/22/73/597562273.db2.gz WAVKOCXVHUEKNZ-UHFFFAOYSA-N 1 0 345.446 1.358 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H](n3ccnn3)CC2)cc1 ZINC000878941016 597761988 /nfs/dbraw/zinc/76/19/88/597761988.db2.gz JLFMYKGXDQXUGW-GOEBONIOSA-N 1 0 331.376 1.947 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000879990677 597799715 /nfs/dbraw/zinc/79/97/15/597799715.db2.gz FQGLRPRSBHEKFT-NRMKIYEFSA-N 1 0 333.388 1.571 20 5 EDBDRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000879991344 597799897 /nfs/dbraw/zinc/79/98/97/597799897.db2.gz WKLGUASICSQWOX-AWEZNQCLSA-N 1 0 343.383 1.935 20 5 EDBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CSCC[NH2+]1 ZINC000882728214 598035501 /nfs/dbraw/zinc/03/55/01/598035501.db2.gz QPBPFPQUMIEYEW-LLVKDONJSA-N 1 0 336.417 1.604 20 5 EDBDRO CCO[C@@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000914240102 695299824 /nfs/dbraw/zinc/29/98/24/695299824.db2.gz YXNZAZAYGLXMOO-DOMZBBRYSA-N 1 0 338.408 1.922 20 5 EDBDRO Cc1cc(S(=O)(=O)NC2CC([NH+](C)C)C2)cc([N+](=O)[O-])c1F ZINC000916932400 696822322 /nfs/dbraw/zinc/82/23/22/696822322.db2.gz YYXLXVZDAUZDHX-UHFFFAOYSA-N 1 0 331.369 1.413 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000917661029 697056841 /nfs/dbraw/zinc/05/68/41/697056841.db2.gz LGVAATHPNAPJNY-LBPRGKRZSA-N 1 0 327.406 1.748 20 5 EDBDRO Cc1cccnc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000940107636 700219651 /nfs/dbraw/zinc/21/96/51/700219651.db2.gz LTMFYKMAGLYSOB-UKRRQHHQSA-N 1 0 332.404 1.526 20 5 EDBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000180447995 698841327 /nfs/dbraw/zinc/84/13/27/698841327.db2.gz PXIMKTUHQUPNQJ-LLVKDONJSA-N 1 0 342.355 1.983 20 5 EDBDRO O=C(c1ncc[nH]1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000996363941 702724160 /nfs/dbraw/zinc/72/41/60/702724160.db2.gz OXSXUVBDZCOCKM-UHFFFAOYSA-N 1 0 329.360 1.712 20 5 EDBDRO CN1CCOC[C@@]1(CO)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000922535845 703939243 /nfs/dbraw/zinc/93/92/43/703939243.db2.gz MORCWWNUZHSULN-AWEZNQCLSA-N 1 0 329.784 1.031 20 5 EDBDRO Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001034645992 710322412 /nfs/dbraw/zinc/32/24/12/710322412.db2.gz YYLNFMKAIOQEKR-HBJVGIJOSA-N 1 0 338.433 1.634 20 5 EDBDRO CNC(=O)c1ccc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420263626 290627344 /nfs/dbraw/zinc/62/73/44/290627344.db2.gz CFIUOMCGRXYCST-ZIAGYGMSSA-N 1 0 332.404 1.780 20 5 EDBDRO CCC[N@H+](CC)C[C@H](C)Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000558603470 306240763 /nfs/dbraw/zinc/24/07/63/306240763.db2.gz WEZNXYJUSZRVLB-NSHDSACASA-N 1 0 344.437 1.775 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000559517028 306255928 /nfs/dbraw/zinc/25/59/28/306255928.db2.gz HKNOQIWAFIWSGY-AWEZNQCLSA-N 1 0 348.403 1.983 20 5 EDBDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000048669001 213953910 /nfs/dbraw/zinc/95/39/10/213953910.db2.gz WCOZXWFVQYJGAN-UHFFFAOYSA-N 1 0 336.392 1.690 20 5 EDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCCC[C@@H]1O ZINC000181473872 529961299 /nfs/dbraw/zinc/96/12/99/529961299.db2.gz GCIJHZHTEMIRNX-KMFMINBZSA-N 1 0 338.404 1.817 20 5 EDBDRO COc1cc(OCC(=O)NCC[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000101953163 219175263 /nfs/dbraw/zinc/17/52/63/219175263.db2.gz KFMDHIOKHZFSQS-UHFFFAOYSA-N 1 0 325.365 1.439 20 5 EDBDRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000193329161 290833031 /nfs/dbraw/zinc/83/30/31/290833031.db2.gz GEURYLVZYHWMNP-VIFPVBQESA-N 1 0 333.797 1.621 20 5 EDBDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000104076233 219346207 /nfs/dbraw/zinc/34/62/07/219346207.db2.gz LDHDSMAXWRCJPD-CMPLNLGQSA-N 1 0 345.359 1.731 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](Cc2ccccc2)C2CC2)c1 ZINC000181556595 234228959 /nfs/dbraw/zinc/22/89/59/234228959.db2.gz GAYQYVPUXKIBBH-SJORKVTESA-N 1 0 330.388 1.763 20 5 EDBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000562786317 306308805 /nfs/dbraw/zinc/30/88/05/306308805.db2.gz BUQYMGLRZOBYBW-RYUDHWBXSA-N 1 0 329.422 1.882 20 5 EDBDRO O=C1CCc2cc([N+](=O)[O-])c(NCC3CC[NH+](CCO)CC3)cc2N1 ZINC000105791728 219526526 /nfs/dbraw/zinc/52/65/26/219526526.db2.gz IIZYRNSSVHQBTH-UHFFFAOYSA-N 1 0 348.403 1.596 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)c(C)cc1[N+](=O)[O-] ZINC000563446760 306333675 /nfs/dbraw/zinc/33/36/75/306333675.db2.gz WMRYROXSHRPDNT-GFCCVEGCSA-N 1 0 327.406 1.632 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@H]2C1 ZINC000345565204 283155485 /nfs/dbraw/zinc/15/54/85/283155485.db2.gz HHDGIRBIKYQPIA-LSDHHAIUSA-N 1 0 344.371 1.621 20 5 EDBDRO CC[NH2+]CC1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000563534461 306337695 /nfs/dbraw/zinc/33/76/95/306337695.db2.gz QKYHSWVXRSGZET-UHFFFAOYSA-N 1 0 335.404 1.994 20 5 EDBDRO C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cn(-c2ccccc2)nn1 ZINC000130993491 138351112 /nfs/dbraw/zinc/35/11/12/138351112.db2.gz GLJVJGFVVFORPW-LBPRGKRZSA-N 1 0 327.348 1.723 20 5 EDBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000186943724 236073122 /nfs/dbraw/zinc/07/31/22/236073122.db2.gz ROJJNGUWFCKPNX-GFCCVEGCSA-N 1 0 336.392 1.937 20 5 EDBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000367325326 283349828 /nfs/dbraw/zinc/34/98/28/283349828.db2.gz CFWFZGANEQZBDJ-CQSZACIVSA-N 1 0 333.392 1.096 20 5 EDBDRO Cc1cc([N+](=O)[O-])cn(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1=O ZINC000414135126 304101848 /nfs/dbraw/zinc/10/18/48/304101848.db2.gz DEMJUHAXWLXBIG-KRWDZBQOSA-N 1 0 343.383 1.484 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000072639606 216286613 /nfs/dbraw/zinc/28/66/13/216286613.db2.gz IGDBLYKREDENLU-OLZOCXBDSA-N 1 0 346.387 1.537 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[C@@H]1[NH+](C)C ZINC000414462992 304116706 /nfs/dbraw/zinc/11/67/06/304116706.db2.gz IREWFQRYGMPBBA-RYUDHWBXSA-N 1 0 343.405 1.364 20 5 EDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000109966996 220005909 /nfs/dbraw/zinc/00/59/09/220005909.db2.gz UQDPWQSPDMSDLP-HNNXBMFYSA-N 1 0 348.403 1.315 20 5 EDBDRO [NH3+]Cc1cn([C@@H]2CCC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)nn1 ZINC000415103281 304160234 /nfs/dbraw/zinc/16/02/34/304160234.db2.gz DASXZVMCHCODDJ-QQNRWZHASA-N 1 0 342.403 1.995 20 5 EDBDRO CCOC(=O)c1ccnc(N2CC[C@H](C[N@H+](C)CC)C2)c1[N+](=O)[O-] ZINC000078583712 217080339 /nfs/dbraw/zinc/08/03/39/217080339.db2.gz OYVZTRKKHAWMCB-GFCCVEGCSA-N 1 0 336.392 1.945 20 5 EDBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000236748596 139030311 /nfs/dbraw/zinc/03/03/11/139030311.db2.gz BSICYVHAIFLVDY-SNVBAGLBSA-N 1 0 331.394 1.399 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000237363098 139049229 /nfs/dbraw/zinc/04/92/29/139049229.db2.gz GTLVLPHOUADBAC-NEPJUHHUSA-N 1 0 329.360 1.603 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000237363122 139049263 /nfs/dbraw/zinc/04/92/63/139049263.db2.gz GTLVLPHOUADBAC-VXGBXAGGSA-N 1 0 329.360 1.603 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373052128 296190463 /nfs/dbraw/zinc/19/04/63/296190463.db2.gz BBAYRZWBXJZIAC-PWSUYJOCSA-N 1 0 333.344 1.190 20 5 EDBDRO C[C@@]1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCC[NH2+]C1 ZINC000237562459 139054036 /nfs/dbraw/zinc/05/40/36/139054036.db2.gz VVWWWYZDNSFSSF-QGZVFWFLSA-N 1 0 332.404 1.633 20 5 EDBDRO C[C@@]1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC[NH2+]C1 ZINC000237562030 139054099 /nfs/dbraw/zinc/05/40/99/139054099.db2.gz ACWCTVAPJBKFHN-QGZVFWFLSA-N 1 0 332.404 1.633 20 5 EDBDRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000111352915 220144003 /nfs/dbraw/zinc/14/40/03/220144003.db2.gz CGCVFSCIPHGWJZ-LBPRGKRZSA-N 1 0 345.396 1.887 20 5 EDBDRO Cc1nn(Cc2ccc(C(=O)N3CC[NH2+]CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000237636583 139056564 /nfs/dbraw/zinc/05/65/64/139056564.db2.gz YLLQEFKVLVQYQD-UHFFFAOYSA-N 1 0 343.387 1.502 20 5 EDBDRO Cn1cc(C[NH2+]CC2(O)CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237906635 139063468 /nfs/dbraw/zinc/06/34/68/139063468.db2.gz IDAPGMBWAFDQKB-UHFFFAOYSA-N 1 0 346.387 1.626 20 5 EDBDRO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H]1CCCC[C@H]1O ZINC000245553363 139079155 /nfs/dbraw/zinc/07/91/55/139079155.db2.gz RHTIDFZLYFVXII-RHSMWYFYSA-N 1 0 347.415 1.967 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261816592 291600906 /nfs/dbraw/zinc/60/09/06/291600906.db2.gz AHGWEKYTUZXJAN-NEPJUHHUSA-N 1 0 325.390 1.133 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000415291995 304187550 /nfs/dbraw/zinc/18/75/50/304187550.db2.gz GYRBKKLBXUTDSD-CQSZACIVSA-N 1 0 347.419 1.723 20 5 EDBDRO CN(CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1[N+](=O)[O-] ZINC000248202174 139159570 /nfs/dbraw/zinc/15/95/70/139159570.db2.gz ZATCUUUXSMFCBW-LSDHHAIUSA-N 1 0 346.431 1.974 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249169285 139188300 /nfs/dbraw/zinc/18/83/00/139188300.db2.gz KWURKPLPQJZXTL-GXTWGEPZSA-N 1 0 348.403 1.783 20 5 EDBDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000252653467 139204811 /nfs/dbraw/zinc/20/48/11/139204811.db2.gz YUTLEQNQQDEYKU-QLFBSQMISA-N 1 0 340.424 1.678 20 5 EDBDRO COC(=O)[C@@H](O)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255570480 139208048 /nfs/dbraw/zinc/20/80/48/139208048.db2.gz QZZIBZMNCBOFIT-LEXSJLIMSA-N 1 0 334.372 1.854 20 5 EDBDRO CC(C)OC(=O)C[C@H](NC(=O)C[C@@H](C)[NH3+])c1ccccc1[N+](=O)[O-] ZINC000261710061 139219491 /nfs/dbraw/zinc/21/94/91/139219491.db2.gz DIZWPWHTHASKRH-YPMHNXCESA-N 1 0 337.376 1.831 20 5 EDBDRO C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@H](C[NH3+])C1 ZINC000261715793 139220022 /nfs/dbraw/zinc/22/00/22/139220022.db2.gz GNOFIWWDPOFRIT-QWRGUYRKSA-N 1 0 325.340 1.699 20 5 EDBDRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261865826 139232543 /nfs/dbraw/zinc/23/25/43/139232543.db2.gz GLWVSYBCUDNDRQ-CYBMUJFWSA-N 1 0 327.406 1.628 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000261910456 139236103 /nfs/dbraw/zinc/23/61/03/139236103.db2.gz XNJKONFLGPXCRO-RYUDHWBXSA-N 1 0 337.376 1.568 20 5 EDBDRO O=C(CC[C@@H]1CC[NH2+]C1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000261939157 139238620 /nfs/dbraw/zinc/23/86/20/139238620.db2.gz ZZHVRTBOTDNRIC-CHWSQXEVSA-N 1 0 333.392 1.392 20 5 EDBDRO C[C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[C@H]1C[NH3+] ZINC000262008922 139243426 /nfs/dbraw/zinc/24/34/26/139243426.db2.gz SOEXCMJDEVLTTK-WBMJQRKESA-N 1 0 343.387 1.980 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000262051256 139246801 /nfs/dbraw/zinc/24/68/01/139246801.db2.gz CVVLDZIYCTTXCR-ZLKJLUDKSA-N 1 0 325.390 1.343 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000262132236 139253687 /nfs/dbraw/zinc/25/36/87/139253687.db2.gz LOAMQJOSPCBNBN-LBPRGKRZSA-N 1 0 331.394 1.255 20 5 EDBDRO CC1(C)CN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000415821702 251031432 /nfs/dbraw/zinc/03/14/32/251031432.db2.gz HZAMYMQQMFPOMS-UHFFFAOYSA-N 1 0 340.767 1.397 20 5 EDBDRO C[C@H](NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000417993994 251319748 /nfs/dbraw/zinc/31/97/48/251319748.db2.gz YMLHFQHANPKNRI-KBPBESRZSA-N 1 0 347.419 1.345 20 5 EDBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418707468 251389973 /nfs/dbraw/zinc/38/99/73/251389973.db2.gz TXGFYXDXLVISMD-NEPJUHHUSA-N 1 0 336.392 1.883 20 5 EDBDRO C[NH+](C)[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000569504277 306509177 /nfs/dbraw/zinc/50/91/77/306509177.db2.gz UXNSZMNZSDAGDO-RYUDHWBXSA-N 1 0 347.293 1.361 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000262776066 139302763 /nfs/dbraw/zinc/30/27/63/139302763.db2.gz NJYSCXLTULMDES-MFKMUULPSA-N 1 0 327.406 1.434 20 5 EDBDRO [NH3+]C1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC000152756447 224008064 /nfs/dbraw/zinc/00/80/64/224008064.db2.gz NXIVFKVMHFBFRZ-UHFFFAOYSA-N 1 0 325.368 1.750 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000262806043 139305030 /nfs/dbraw/zinc/30/50/30/139305030.db2.gz OKMZBIFYRCTKEB-SMDDNHRTSA-N 1 0 329.360 1.508 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000422845970 251997200 /nfs/dbraw/zinc/99/72/00/251997200.db2.gz DHWTZSNLGYRPHR-NHYWBVRUSA-N 1 0 349.387 1.971 20 5 EDBDRO CCCC[N@H+](C)CCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000112310083 220298652 /nfs/dbraw/zinc/29/86/52/220298652.db2.gz ATFXKFVKSXTCTA-UHFFFAOYSA-N 1 0 337.376 1.843 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)cccc1[N+](=O)[O-] ZINC000415676455 304254209 /nfs/dbraw/zinc/25/42/09/304254209.db2.gz KUFWFSGYWDRHRO-GFCCVEGCSA-N 1 0 334.376 1.429 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCn2cc(CO)nn2)n1 ZINC000353573992 285169220 /nfs/dbraw/zinc/16/92/20/285169220.db2.gz IVLXYZLALOKVQR-ZIAGYGMSSA-N 1 0 349.395 1.039 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CCN(C)[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000488606988 255046410 /nfs/dbraw/zinc/04/64/10/255046410.db2.gz KSEZRRGZDBEAQZ-OAHLLOKOSA-N 1 0 348.403 1.640 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC1CC[NH+](C)CC1 ZINC000264124474 139381681 /nfs/dbraw/zinc/38/16/81/139381681.db2.gz LLZSVUNFSARTSK-UHFFFAOYSA-N 1 0 341.433 1.866 20 5 EDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000570722195 306549235 /nfs/dbraw/zinc/54/92/35/306549235.db2.gz DHQOSOQDJRHTRI-RYUDHWBXSA-N 1 0 336.392 1.287 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000264635269 139421417 /nfs/dbraw/zinc/42/14/17/139421417.db2.gz SKMCWFJHQWTTSB-AWEZNQCLSA-N 1 0 327.406 1.451 20 5 EDBDRO COC(=O)c1cnc(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420283508 292030197 /nfs/dbraw/zinc/03/01/97/292030197.db2.gz XNSLSQUMUWOMRO-RYUDHWBXSA-N 1 0 334.376 1.602 20 5 EDBDRO COc1cc(C(=O)NC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000269267377 139905279 /nfs/dbraw/zinc/90/52/79/139905279.db2.gz LFDNKDSUOGUODU-VIFPVBQESA-N 1 0 347.318 1.918 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000270361262 140086001 /nfs/dbraw/zinc/08/60/01/140086001.db2.gz JDLHBKRUDIZYLY-UHFFFAOYSA-N 1 0 335.404 1.822 20 5 EDBDRO COc1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000271088184 140234149 /nfs/dbraw/zinc/23/41/49/140234149.db2.gz JWVKEGWEJDDWJB-GFCCVEGCSA-N 1 0 339.367 1.901 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271726883 140340196 /nfs/dbraw/zinc/34/01/96/140340196.db2.gz MTORMQRWMBBQAK-CYBMUJFWSA-N 1 0 338.408 1.875 20 5 EDBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(F)c1F ZINC000271777331 140348716 /nfs/dbraw/zinc/34/87/16/140348716.db2.gz KBBGSTHLSLQMKO-MWLCHTKSSA-N 1 0 326.303 1.781 20 5 EDBDRO CS[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1[NH+]1CCCC1 ZINC000331387438 141015197 /nfs/dbraw/zinc/01/51/97/141015197.db2.gz ITIPJFSHTBSVPS-KBPBESRZSA-N 1 0 325.438 1.303 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000331838605 141087220 /nfs/dbraw/zinc/08/72/20/141087220.db2.gz BDMWTQCJUJQDLP-SWLSCSKDSA-N 1 0 339.417 1.748 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000331841925 141087621 /nfs/dbraw/zinc/08/76/21/141087621.db2.gz BSQIFLACOFKRJX-STQMWFEESA-N 1 0 339.417 1.748 20 5 EDBDRO C[NH+](C)CC1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000331925601 141098973 /nfs/dbraw/zinc/09/89/73/141098973.db2.gz HYALWBISHITKOA-UHFFFAOYSA-N 1 0 331.376 1.885 20 5 EDBDRO C[NH+]1CCC([C@H]2CCN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000332095252 141122085 /nfs/dbraw/zinc/12/20/85/141122085.db2.gz AICDSDVMMNWWPY-AWEZNQCLSA-N 1 0 349.435 1.717 20 5 EDBDRO C[NH+](C)CC1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000332261764 141148874 /nfs/dbraw/zinc/14/88/74/141148874.db2.gz NVKKLCLPTOFLGE-UHFFFAOYSA-N 1 0 346.431 1.758 20 5 EDBDRO CO[C@H]1C[C@@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)[N@H+](C)C1 ZINC000345792905 143134174 /nfs/dbraw/zinc/13/41/74/143134174.db2.gz YPCPYPYTZCDXIB-HOTGVXAUSA-N 1 0 333.388 1.805 20 5 EDBDRO CC[N@@H+]1C[C@H](C)N(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000346188345 143176987 /nfs/dbraw/zinc/17/69/87/143176987.db2.gz JDCKQSLOKICLLK-DZKIICNBSA-N 1 0 337.420 1.749 20 5 EDBDRO Cc1noc([C@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC000346269928 143185726 /nfs/dbraw/zinc/18/57/26/143185726.db2.gz MSZXLRGDRIPVRI-LBPRGKRZSA-N 1 0 331.332 1.375 20 5 EDBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000346640362 143225099 /nfs/dbraw/zinc/22/50/99/143225099.db2.gz NKYMBVNYCUVKKX-DGCLKSJQSA-N 1 0 343.405 1.030 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(-c2nc(CC3=[NH+][C@@H]4CCCC[C@H]4N3)no2)n1 ZINC000346883188 143255802 /nfs/dbraw/zinc/25/58/02/143255802.db2.gz AHWYTJYBOHNEPH-NXEZZACHSA-N 1 0 345.363 1.717 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(-c2nc(CC3=[NH+][C@H]4CCCC[C@@H]4N3)no2)n1 ZINC000346883193 143255860 /nfs/dbraw/zinc/25/58/60/143255860.db2.gz AHWYTJYBOHNEPH-UWVGGRQHSA-N 1 0 345.363 1.717 20 5 EDBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000347089981 143281467 /nfs/dbraw/zinc/28/14/67/143281467.db2.gz IOEARXCNPYVNBO-CQSZACIVSA-N 1 0 349.431 1.788 20 5 EDBDRO CNc1c(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000348589985 143444469 /nfs/dbraw/zinc/44/44/69/143444469.db2.gz VPVNSFNJWXLIOH-KGLIPLIRSA-N 1 0 334.376 1.182 20 5 EDBDRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000416505933 304326175 /nfs/dbraw/zinc/32/61/75/304326175.db2.gz CYPOZJQIHGMOOT-UHFFFAOYSA-N 1 0 335.813 1.867 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCOc2cccc(Cl)c2)c1 ZINC000572631281 306596097 /nfs/dbraw/zinc/59/60/97/306596097.db2.gz GDQZRASJZRPYRE-CYBMUJFWSA-N 1 0 340.767 1.474 20 5 EDBDRO CC(C)(CCO)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000572721848 306597822 /nfs/dbraw/zinc/59/78/22/306597822.db2.gz HHTZTDVRLOLQGI-UHFFFAOYSA-N 1 0 330.406 1.367 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CSC[C@H]1C ZINC000352818008 149179839 /nfs/dbraw/zinc/17/98/39/149179839.db2.gz SGYZNHTWUCNXNF-BXKDBHETSA-N 1 0 325.390 1.883 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@@](C)(CO)C(C)C)c([N+](=O)[O-])c1 ZINC000352908934 149212044 /nfs/dbraw/zinc/21/20/44/149212044.db2.gz IRFFCYDGEKSSOA-INIZCTEOSA-N 1 0 339.392 1.929 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[NH+]2CCCC2)c1 ZINC000353056138 149269811 /nfs/dbraw/zinc/26/98/11/149269811.db2.gz IUAFODAJPCAIDP-UHFFFAOYSA-N 1 0 327.406 1.586 20 5 EDBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2n[nH]cc2c1 ZINC000353284399 149352231 /nfs/dbraw/zinc/35/22/31/149352231.db2.gz DVDPBEAXEZXZEN-IINYFYTJSA-N 1 0 330.348 1.379 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc(OC)c3[N+](=O)[O-])[C@H]2C1 ZINC000355387836 150247768 /nfs/dbraw/zinc/24/77/68/150247768.db2.gz VBUQXHJSAYMRBK-UONOGXRCSA-N 1 0 349.387 1.539 20 5 EDBDRO CN1CCc2nc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)sc2C1 ZINC000355621931 150341093 /nfs/dbraw/zinc/34/10/93/150341093.db2.gz OBLOHYWIQKBHDC-UHFFFAOYSA-N 1 0 334.357 1.997 20 5 EDBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000357362449 151007880 /nfs/dbraw/zinc/00/78/80/151007880.db2.gz MYDFNOKCTGMEPN-ZDUSSCGKSA-N 1 0 349.387 1.638 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000357379314 151013045 /nfs/dbraw/zinc/01/30/45/151013045.db2.gz QSAPWGPKMNRQNB-UHFFFAOYSA-N 1 0 337.424 1.857 20 5 EDBDRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000357594569 151078588 /nfs/dbraw/zinc/07/85/88/151078588.db2.gz NIWMAFXXOFNNTO-QMMMGPOBSA-N 1 0 328.756 1.253 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)n1 ZINC000357965100 151212724 /nfs/dbraw/zinc/21/27/24/151212724.db2.gz PDRPYNFMQLAJFU-ZDUSSCGKSA-N 1 0 331.376 1.231 20 5 EDBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000357965944 151213562 /nfs/dbraw/zinc/21/35/62/151213562.db2.gz UBOCGPXVXMCNGZ-JHJVBQTASA-N 1 0 335.408 1.806 20 5 EDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000358331307 151339332 /nfs/dbraw/zinc/33/93/32/151339332.db2.gz DLFRRVOELCLBJJ-LBPRGKRZSA-N 1 0 325.413 1.726 20 5 EDBDRO Cc1nc(N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000360471457 152057729 /nfs/dbraw/zinc/05/77/29/152057729.db2.gz BEFDHJXKGUEVNX-HNNXBMFYSA-N 1 0 333.436 1.762 20 5 EDBDRO O=C1[C@H](N2CC[C@]3(CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000360572659 152103609 /nfs/dbraw/zinc/10/36/09/152103609.db2.gz XYBJMHOEIROAQI-WBVHZDCISA-N 1 0 330.388 1.386 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000360845792 152228258 /nfs/dbraw/zinc/22/82/58/152228258.db2.gz BTFOTHLKJCYEER-YOEHRIQHSA-N 1 0 346.431 1.693 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](CCC(=O)N(C)C)CC2)n1 ZINC000360882064 152240845 /nfs/dbraw/zinc/24/08/45/152240845.db2.gz COFXVRGBSCBGSB-UHFFFAOYSA-N 1 0 335.408 1.653 20 5 EDBDRO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000361377837 152376819 /nfs/dbraw/zinc/37/68/19/152376819.db2.gz KUQJTZNGZSPGRM-CABCVRRESA-N 1 0 349.435 1.965 20 5 EDBDRO CCO[C@H]1COCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000362016261 152587396 /nfs/dbraw/zinc/58/73/96/152587396.db2.gz PKNJFHMSRLDALP-HOCLYGCPSA-N 1 0 349.387 1.268 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000417178060 304380697 /nfs/dbraw/zinc/38/06/97/304380697.db2.gz DMKNEOKUXDEBCU-OLZOCXBDSA-N 1 0 334.376 1.497 20 5 EDBDRO O=C1NCCN1[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000363636497 153018703 /nfs/dbraw/zinc/01/87/03/153018703.db2.gz BXJKRGXYDNYMCB-OAHLLOKOSA-N 1 0 348.403 1.853 20 5 EDBDRO CN(C(=O)[C@H]1C[C@@H]1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000364061240 153135864 /nfs/dbraw/zinc/13/58/64/153135864.db2.gz YWAZTWGBQYTNTI-HOTGVXAUSA-N 1 0 332.404 1.212 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)ccc1[N+](=O)[O-] ZINC000364184650 153165563 /nfs/dbraw/zinc/16/55/63/153165563.db2.gz SJYYZKYFMVHWGC-GJZGRUSLSA-N 1 0 339.417 1.795 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000364194334 153169676 /nfs/dbraw/zinc/16/96/76/153169676.db2.gz ADSGBNUKUYYASD-LBPRGKRZSA-N 1 0 348.384 1.518 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@]12CCN(S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000364199897 153170526 /nfs/dbraw/zinc/17/05/26/153170526.db2.gz FABDIOCJBNJFBS-CABCVRRESA-N 1 0 339.417 1.628 20 5 EDBDRO COc1ccc(CNC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417194380 304383105 /nfs/dbraw/zinc/38/31/05/304383105.db2.gz QFZQDNVSBNPQHU-YPMHNXCESA-N 1 0 336.392 1.791 20 5 EDBDRO C[NH+]1CCC(NC(=O)N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000364365262 153217826 /nfs/dbraw/zinc/21/78/26/153217826.db2.gz WCVQPGMOMSUYDP-CYBMUJFWSA-N 1 0 336.396 1.232 20 5 EDBDRO NC(=O)c1noc([C@@H]2CCCN2CCOc2ccccc2[N+](=O)[O-])n1 ZINC000364435046 153236453 /nfs/dbraw/zinc/23/64/53/153236453.db2.gz JQPVCATZQYNGKR-NSHDSACASA-N 1 0 347.331 1.293 20 5 EDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000365963431 153674036 /nfs/dbraw/zinc/67/40/36/153674036.db2.gz QTRMYNNHIUWHSX-DLBZAZTESA-N 1 0 347.415 1.585 20 5 EDBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000366579382 153858756 /nfs/dbraw/zinc/85/87/56/153858756.db2.gz AFDYJKYWLYNTQB-IUODEOHRSA-N 1 0 341.371 1.605 20 5 EDBDRO Cc1nn(CCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c1[N+](=O)[O-] ZINC000367837373 154290611 /nfs/dbraw/zinc/29/06/11/154290611.db2.gz WZNMHVNHWXFKBD-YIONKMFJSA-N 1 0 349.435 1.882 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491924533 292333781 /nfs/dbraw/zinc/33/37/81/292333781.db2.gz JNDRNVYWJARPKZ-ALCCZGGFSA-N 1 0 339.367 1.832 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000372156254 156247270 /nfs/dbraw/zinc/24/72/70/156247270.db2.gz NONRWOVAXFRMCG-IXDOHACOSA-N 1 0 335.404 1.159 20 5 EDBDRO CN(C)c1noc([C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000374553243 157326492 /nfs/dbraw/zinc/32/64/92/157326492.db2.gz XMDLYOYGKBZPLG-LLVKDONJSA-N 1 0 335.368 1.120 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000374786288 157399839 /nfs/dbraw/zinc/39/98/39/157399839.db2.gz YTICLMRZNVHCKB-JSGCOSHPSA-N 1 0 348.403 1.408 20 5 EDBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000376680848 157814980 /nfs/dbraw/zinc/81/49/80/157814980.db2.gz PBDZXHGCOBPTLX-WBMJQRKESA-N 1 0 341.371 1.605 20 5 EDBDRO [NH3+][C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418091069 304457485 /nfs/dbraw/zinc/45/74/85/304457485.db2.gz PBSJAOONNYAGNG-SNVBAGLBSA-N 1 0 332.282 1.856 20 5 EDBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000081790933 287315778 /nfs/dbraw/zinc/31/57/78/287315778.db2.gz FCIFXICJTBDCNI-OAHLLOKOSA-N 1 0 348.403 1.267 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C)(C)C(=O)N(C)C ZINC000114186452 287342745 /nfs/dbraw/zinc/34/27/45/287342745.db2.gz KSUBOHXVJUIZIT-UHFFFAOYSA-N 1 0 336.392 1.688 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000130950901 287501981 /nfs/dbraw/zinc/50/19/81/287501981.db2.gz AUMDJXIDBOXVGN-YPMHNXCESA-N 1 0 327.406 1.484 20 5 EDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237527841 273010524 /nfs/dbraw/zinc/01/05/24/273010524.db2.gz SUCWWOIUJMOKPW-RYUDHWBXSA-N 1 0 329.360 1.732 20 5 EDBDRO O=C(NCC[C@H]1CCC[NH2+]C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000237883251 273013465 /nfs/dbraw/zinc/01/34/65/273013465.db2.gz IZFWRJKJGSKFSW-GFCCVEGCSA-N 1 0 344.375 1.295 20 5 EDBDRO COC(=O)COc1ccc(CN2C[C@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000262020777 273017452 /nfs/dbraw/zinc/01/74/52/273017452.db2.gz NEOXWIOSGSVCBZ-NWDGAFQWSA-N 1 0 337.376 1.329 20 5 EDBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000273477738 268047917 /nfs/dbraw/zinc/04/79/17/268047917.db2.gz JRWIITMCWZQDHR-ZFWWWQNUSA-N 1 0 339.417 1.641 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273477131 268047993 /nfs/dbraw/zinc/04/79/93/268047993.db2.gz PPABNQPJSWUSTE-NSHDSACASA-N 1 0 339.371 1.491 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+][C@@H](CCO)C(C)C)c([N+](=O)[O-])c1 ZINC000274128123 268107287 /nfs/dbraw/zinc/10/72/87/268107287.db2.gz XZRCAODZTFWXIR-LBPRGKRZSA-N 1 0 325.365 1.539 20 5 EDBDRO C[C@@]1(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCC[NH2+]C1 ZINC000273065421 273027053 /nfs/dbraw/zinc/02/70/53/273027053.db2.gz ZKOHTHGWMONLCJ-OAHLLOKOSA-N 1 0 325.340 1.619 20 5 EDBDRO CCOC(=O)C[C@](C)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000274836464 268218879 /nfs/dbraw/zinc/21/88/79/268218879.db2.gz GTJARLDADFDFGU-HIFRSBDPSA-N 1 0 342.396 1.110 20 5 EDBDRO C[NH+](C)C1(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCC1 ZINC000275709661 268371162 /nfs/dbraw/zinc/37/11/62/268371162.db2.gz CJGKTCSEXMZBCQ-UHFFFAOYSA-N 1 0 325.340 1.713 20 5 EDBDRO CC1(C)C[C@@H]([NH2+]CCCNS(C)(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000278969777 268758888 /nfs/dbraw/zinc/75/88/88/268758888.db2.gz BZMRAOICUVJARW-CQSZACIVSA-N 1 0 341.433 1.846 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCOCC1 ZINC000279512308 268847317 /nfs/dbraw/zinc/84/73/17/268847317.db2.gz ULZZDLXFKGERJG-UHFFFAOYSA-N 1 0 340.355 1.157 20 5 EDBDRO CC[NH+](CC)Cc1ccc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000043285689 272910484 /nfs/dbraw/zinc/91/04/84/272910484.db2.gz DXFFDWUWEAODRS-UHFFFAOYSA-N 1 0 345.403 1.950 20 5 EDBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000044681138 272911124 /nfs/dbraw/zinc/91/11/24/272911124.db2.gz VUDXLJWUSYJNRO-UHFFFAOYSA-N 1 0 331.376 1.382 20 5 EDBDRO COC(=O)c1cn(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000276348065 273162062 /nfs/dbraw/zinc/16/20/62/273162062.db2.gz VUDOQHLHFIBSMK-LLVKDONJSA-N 1 0 333.348 1.632 20 5 EDBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000278948483 273275256 /nfs/dbraw/zinc/27/52/56/273275256.db2.gz YNHYVCRUVHTTLY-LBPRGKRZSA-N 1 0 349.391 1.707 20 5 EDBDRO COC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000279143943 273283182 /nfs/dbraw/zinc/28/31/82/273283182.db2.gz XUVPNDMRZZURSN-VNQPRFMTSA-N 1 0 340.376 1.118 20 5 EDBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000280615650 273378031 /nfs/dbraw/zinc/37/80/31/273378031.db2.gz WFMJHCIEQWNPGM-CXAGYDPISA-N 1 0 349.387 1.803 20 5 EDBDRO Cc1cc(S(=O)(=O)NC2(C[NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000281438092 273473193 /nfs/dbraw/zinc/47/31/93/273473193.db2.gz GXFYGXMBXQNFGG-UHFFFAOYSA-N 1 0 327.406 1.666 20 5 EDBDRO CC[C@H](CO)[NH+]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000184224494 273747355 /nfs/dbraw/zinc/74/73/55/273747355.db2.gz LZUJBJABUYOEAT-CYBMUJFWSA-N 1 0 341.383 1.631 20 5 EDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000284491315 274221422 /nfs/dbraw/zinc/22/14/22/274221422.db2.gz GJQXLZVEQLOIDD-CZUORRHYSA-N 1 0 331.376 1.774 20 5 EDBDRO CN1CCO[C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000284767341 274323960 /nfs/dbraw/zinc/32/39/60/274323960.db2.gz MLLICJZIDRCBBX-HZPDHXFCSA-N 1 0 348.403 1.328 20 5 EDBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1 ZINC000285510333 274565871 /nfs/dbraw/zinc/56/58/71/274565871.db2.gz NYWRCTFWWZMBIC-CYBMUJFWSA-N 1 0 339.417 1.641 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000130651252 274664717 /nfs/dbraw/zinc/66/47/17/274664717.db2.gz FMLBLBLPOYZGJQ-OBJOEFQTSA-N 1 0 348.403 1.864 20 5 EDBDRO O=C1C[C@H]([N@@H+]2CC[C@@H](C3CC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000378304057 275020427 /nfs/dbraw/zinc/02/04/27/275020427.db2.gz FWROXSAVEFMIDT-DOMZBBRYSA-N 1 0 329.356 1.959 20 5 EDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000423962879 275530109 /nfs/dbraw/zinc/53/01/09/275530109.db2.gz VOKFQUYGDPYEGF-AWEZNQCLSA-N 1 0 331.376 1.884 20 5 EDBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000347405003 276105423 /nfs/dbraw/zinc/10/54/23/276105423.db2.gz DSBVWLFQLYKLCO-QWHCGFSZSA-N 1 0 337.424 1.959 20 5 EDBDRO CC[NH2+]CC1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000261784195 276264548 /nfs/dbraw/zinc/26/45/48/276264548.db2.gz SDVOQYYPEVONSV-UHFFFAOYSA-N 1 0 341.433 1.824 20 5 EDBDRO C[NH2+]CCC1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000261815664 277021518 /nfs/dbraw/zinc/02/15/18/277021518.db2.gz WELOOVUPHCUQME-UHFFFAOYSA-N 1 0 341.433 1.824 20 5 EDBDRO C[N@@H+]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000371270169 277193910 /nfs/dbraw/zinc/19/39/10/277193910.db2.gz YCWMOKHHUVWZRW-GDBMZVCRSA-N 1 0 326.356 1.817 20 5 EDBDRO C[NH+](C)CC(=O)N1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000286143431 287945776 /nfs/dbraw/zinc/94/57/76/287945776.db2.gz WZWGEYSCYUDCBA-UHFFFAOYSA-N 1 0 342.346 1.079 20 5 EDBDRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000193096190 277573322 /nfs/dbraw/zinc/57/33/22/277573322.db2.gz XKVRMXFQRUFVKY-LBPRGKRZSA-N 1 0 327.406 1.748 20 5 EDBDRO CS(=O)(=O)NCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192631180 278112465 /nfs/dbraw/zinc/11/24/65/278112465.db2.gz BIMPXGPGHANJSA-AWEZNQCLSA-N 1 0 327.406 1.501 20 5 EDBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CC(=O)N(C)c4ccc([N+](=O)[O-])cc4)[C@H]1[C@H]3C2 ZINC000286494669 288019672 /nfs/dbraw/zinc/01/96/72/288019672.db2.gz MAZLLFMCWRLRJA-LMVJKFGMSA-N 1 0 345.399 1.913 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](SC)[C@H]([NH+](C)C)C2)n1 ZINC000286501432 288021117 /nfs/dbraw/zinc/02/11/17/288021117.db2.gz MZIVPIQUCZFXNW-VXGBXAGGSA-N 1 0 340.405 1.258 20 5 EDBDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000371878239 278373417 /nfs/dbraw/zinc/37/34/17/278373417.db2.gz JJKYHEPRKWUQDF-BXUZGUMPSA-N 1 0 329.360 1.784 20 5 EDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000262739910 278513046 /nfs/dbraw/zinc/51/30/46/278513046.db2.gz BQFSWBHJJPEGSK-RKDXNWHRSA-N 1 0 333.797 1.619 20 5 EDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000286722838 288070677 /nfs/dbraw/zinc/07/06/77/288070677.db2.gz NJOXBUZOVLIWMB-WFASDCNBSA-N 1 0 339.417 1.842 20 5 EDBDRO CC[C@@H](C)[N@H+](CCO)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000287465069 288243890 /nfs/dbraw/zinc/24/38/90/288243890.db2.gz RLGQVGOUYNHGEM-SNVBAGLBSA-N 1 0 339.348 1.355 20 5 EDBDRO Cc1cc(N2CC[C@@H]3OCC(=O)N[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000366608587 280571142 /nfs/dbraw/zinc/57/11/42/280571142.db2.gz NAHQFOQCNBYOPT-HOCLYGCPSA-N 1 0 342.355 1.545 20 5 EDBDRO Cc1cccc(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c1[N+](=O)[O-] ZINC000450890507 281228623 /nfs/dbraw/zinc/22/86/23/281228623.db2.gz HFJZTTWZKLQZAX-AWEZNQCLSA-N 1 0 332.404 1.694 20 5 EDBDRO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289985212 288816105 /nfs/dbraw/zinc/81/61/05/288816105.db2.gz VKKUFCYYXNMMGQ-ZETCQYMHSA-N 1 0 339.776 1.616 20 5 EDBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290190243 288855038 /nfs/dbraw/zinc/85/50/38/288855038.db2.gz QGVFCLGUHVMBKD-STQMWFEESA-N 1 0 341.371 1.462 20 5 EDBDRO CN(CC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1ccccc1[N+](=O)[O-] ZINC000290258860 288867425 /nfs/dbraw/zinc/86/74/25/288867425.db2.gz XGFATQBGXLEPLA-HNNXBMFYSA-N 1 0 346.431 1.879 20 5 EDBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000352125589 289185664 /nfs/dbraw/zinc/18/56/64/289185664.db2.gz JJTHDCKCWWPUCJ-INIZCTEOSA-N 1 0 338.408 1.216 20 5 EDBDRO C[C@H](CCCC[NH3+])NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000291992118 289234173 /nfs/dbraw/zinc/23/41/73/289234173.db2.gz BIFDGRWREKTQPT-VXGBXAGGSA-N 1 0 336.392 1.347 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292119268 289265715 /nfs/dbraw/zinc/26/57/15/289265715.db2.gz WLZWQDUTSMLLHV-OAHLLOKOSA-N 1 0 339.417 1.620 20 5 EDBDRO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000170873428 289316879 /nfs/dbraw/zinc/31/68/79/289316879.db2.gz ITADQBIFTBKECO-SECBINFHSA-N 1 0 333.797 1.573 20 5 EDBDRO COc1cccc(C(=O)NCC2([NH+](C)C)CCOCC2)c1[N+](=O)[O-] ZINC000192574758 295287980 /nfs/dbraw/zinc/28/79/80/295287980.db2.gz RNHLTAJUFIFWGX-UHFFFAOYSA-N 1 0 337.376 1.444 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418596237 304516425 /nfs/dbraw/zinc/51/64/25/304516425.db2.gz OQMYMBASBNAYDY-KGLIPLIRSA-N 1 0 347.419 1.424 20 5 EDBDRO O=C1OCCN1CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000496500791 304691291 /nfs/dbraw/zinc/69/12/91/304691291.db2.gz OFESMZLKKXAEAL-CHWSQXEVSA-N 1 0 337.380 1.707 20 5 EDBDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000419972964 304719630 /nfs/dbraw/zinc/71/96/30/304719630.db2.gz HAWRWANWYVGDOQ-GFCCVEGCSA-N 1 0 348.403 1.058 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262798964 301194407 /nfs/dbraw/zinc/19/44/07/301194407.db2.gz UZBXPVYBKMMHSM-NWDGAFQWSA-N 1 0 327.406 1.583 20 5 EDBDRO C[NH2+][C@@H]1CCCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420300777 304746015 /nfs/dbraw/zinc/74/60/15/304746015.db2.gz VELBNVIBXUDDAM-GFCCVEGCSA-N 1 0 327.406 1.052 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000420467745 304762090 /nfs/dbraw/zinc/76/20/90/304762090.db2.gz NJZSTPGDLHQQRJ-NEPJUHHUSA-N 1 0 327.406 1.699 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000420476553 304763457 /nfs/dbraw/zinc/76/34/57/304763457.db2.gz IMCCFBUFVQAHPT-MFKMUULPSA-N 1 0 341.433 1.817 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420485309 304764440 /nfs/dbraw/zinc/76/44/40/304764440.db2.gz ZQGKEXUPFGDEGL-NWDGAFQWSA-N 1 0 327.406 1.509 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCCN2CCc3sccc3C2)n1 ZINC000372861931 447322777 /nfs/dbraw/zinc/32/27/77/447322777.db2.gz ZBPALNORSVNAFH-UHFFFAOYSA-N 1 0 335.389 1.178 20 5 EDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493420391 447325561 /nfs/dbraw/zinc/32/55/61/447325561.db2.gz NZXHYKPHJHKZGQ-JLVOYYQZSA-N 1 0 333.388 1.522 20 5 EDBDRO C[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C[NH+](C)C ZINC000293713124 303007965 /nfs/dbraw/zinc/00/79/65/303007965.db2.gz JIAPPOPKTISESF-LBPRGKRZSA-N 1 0 331.376 1.708 20 5 EDBDRO CCC[NH2+][C@H](C)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000294743121 303141900 /nfs/dbraw/zinc/14/19/00/303141900.db2.gz JZXUMPNYKWOQTN-LLVKDONJSA-N 1 0 339.392 1.659 20 5 EDBDRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000295152920 303180651 /nfs/dbraw/zinc/18/06/51/303180651.db2.gz MFRWEDDMXOSGFT-HNNXBMFYSA-N 1 0 326.324 1.745 20 5 EDBDRO COC(=O)Cc1ccc(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000296675914 303330909 /nfs/dbraw/zinc/33/09/09/303330909.db2.gz AOCOXZBEPVNEJO-CVEARBPZSA-N 1 0 349.387 1.220 20 5 EDBDRO [NH3+]C1(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCCC1 ZINC000121929146 303359850 /nfs/dbraw/zinc/35/98/50/303359850.db2.gz OTRRYANSZQQUIQ-UHFFFAOYSA-N 1 0 331.369 1.674 20 5 EDBDRO COCCC[N@H+](C)CCNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000297212446 303373352 /nfs/dbraw/zinc/37/33/52/303373352.db2.gz SEUWJJCOGHHLMG-UHFFFAOYSA-N 1 0 339.392 1.691 20 5 EDBDRO Cc1nn(C)c(NC2CC[NH+](CCOC(C)C)CC2)c1[N+](=O)[O-] ZINC000301473311 303680096 /nfs/dbraw/zinc/68/00/96/303680096.db2.gz LVXYDDOUPITLBZ-UHFFFAOYSA-N 1 0 325.413 1.938 20 5 EDBDRO CC1CC[NH+](C[C@H](O)CNc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301892272 303701958 /nfs/dbraw/zinc/70/19/58/303701958.db2.gz AERPPNHCHFZUAB-GFCCVEGCSA-N 1 0 334.380 1.142 20 5 EDBDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCC1 ZINC000351593886 303813529 /nfs/dbraw/zinc/81/35/29/303813529.db2.gz AAMVPGUTBHNCRC-UHFFFAOYSA-N 1 0 338.339 1.273 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000360547963 304805513 /nfs/dbraw/zinc/80/55/13/304805513.db2.gz SBURKFTYQPZBGP-ZDUSSCGKSA-N 1 0 345.808 1.622 20 5 EDBDRO COc1cc(OCC(=O)N[C@@H](C[NH3+])C2CCCC2)ccc1[N+](=O)[O-] ZINC000423937680 304919605 /nfs/dbraw/zinc/91/96/05/304919605.db2.gz GJNYNGBUIQKUNY-ZDUSSCGKSA-N 1 0 337.376 1.616 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000423944124 304920293 /nfs/dbraw/zinc/92/02/93/304920293.db2.gz DUSLTVGHUALOKZ-GXFFZTMASA-N 1 0 336.392 1.203 20 5 EDBDRO Cc1nn(CCC(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000423974356 304921825 /nfs/dbraw/zinc/92/18/25/304921825.db2.gz NHMRGTVBQINQJA-HUUCEWRRSA-N 1 0 349.435 1.789 20 5 EDBDRO O=C(NC[C@H]1C[NH2+]CCO1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000423989606 304922904 /nfs/dbraw/zinc/92/29/04/304922904.db2.gz IQOJWBOGNRJLJD-SECBINFHSA-N 1 0 333.266 1.332 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424097030 304928795 /nfs/dbraw/zinc/92/87/95/304928795.db2.gz ZLFRTGRHKSKEQM-ZDUSSCGKSA-N 1 0 344.375 1.383 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@H]4[NH2+]CC[C@@H]4C3)n2)cc1 ZINC000428036449 305004864 /nfs/dbraw/zinc/00/48/64/305004864.db2.gz HUEHKRUROFSQDE-TZMCWYRMSA-N 1 0 329.360 1.829 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000428127854 305007705 /nfs/dbraw/zinc/00/77/05/305007705.db2.gz HVNVYLRAVKYKPB-WCQYABFASA-N 1 0 349.387 1.637 20 5 EDBDRO CCC([NH3+])(CC)CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000429647112 305033847 /nfs/dbraw/zinc/03/38/47/305033847.db2.gz ADKZVUMSQRANOQ-UHFFFAOYSA-N 1 0 336.392 1.348 20 5 EDBDRO C[NH2+]C[C@H]1CCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000430583324 305056999 /nfs/dbraw/zinc/05/69/99/305056999.db2.gz XTPVOKPGAUTACA-CYBMUJFWSA-N 1 0 336.392 1.616 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@]1(O)CCO[C@@H]1C ZINC000432993810 305098789 /nfs/dbraw/zinc/09/87/89/305098789.db2.gz DQSOFXLXUSBKIF-HSMVNMDESA-N 1 0 337.376 1.441 20 5 EDBDRO O=C(c1ncn([C@@H]2CCC[NH2+]C2)n1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000433381917 305106981 /nfs/dbraw/zinc/10/69/81/305106981.db2.gz MGOXXEZAFMNJTK-LLVKDONJSA-N 1 0 342.359 1.314 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+][C@H](C)[C@@H]1C ZINC000436057660 305151573 /nfs/dbraw/zinc/15/15/73/305151573.db2.gz WFIIVVPFXPMJSY-NEPJUHHUSA-N 1 0 336.392 1.614 20 5 EDBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2C1 ZINC000436729893 305166628 /nfs/dbraw/zinc/16/66/28/305166628.db2.gz ILRAXPSHUFBEHQ-LLVKDONJSA-N 1 0 328.328 1.764 20 5 EDBDRO Cc1cc(C(=O)N2CCC([N@@H+](C)C[C@@H](C)O)CC2)cc([N+](=O)[O-])c1 ZINC000444351009 305246594 /nfs/dbraw/zinc/24/65/94/305246594.db2.gz GLJWQESQIAODKI-CYBMUJFWSA-N 1 0 335.404 1.820 20 5 EDBDRO CC[C@@H]([NH3+])CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000449603396 305315144 /nfs/dbraw/zinc/31/51/44/305315144.db2.gz GMGUVEQGVZWGRL-NXEZZACHSA-N 1 0 340.405 1.114 20 5 EDBDRO CC[C@@H]([NH3+])CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000449603399 305315173 /nfs/dbraw/zinc/31/51/73/305315173.db2.gz GMGUVEQGVZWGRL-ZJUUUORDSA-N 1 0 340.405 1.114 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)c([N+](=O)[O-])cc1OC ZINC000449655483 305316309 /nfs/dbraw/zinc/31/63/09/305316309.db2.gz HDKYECWEVPAJKG-GFCCVEGCSA-N 1 0 345.302 1.339 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000449699238 305317363 /nfs/dbraw/zinc/31/73/63/305317363.db2.gz PNMZLWRRSJLLSU-RISCZKNCSA-N 1 0 348.403 1.217 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1 ZINC000451305892 305337928 /nfs/dbraw/zinc/33/79/28/305337928.db2.gz XBEFKFPCRUOIRQ-UNEWFSDZSA-N 1 0 336.388 1.835 20 5 EDBDRO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451404459 305343913 /nfs/dbraw/zinc/34/39/13/305343913.db2.gz GKXLRLKGCYKUTQ-SCVCMEIPSA-N 1 0 336.314 1.815 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1COCC1(C)C ZINC000451805040 305370165 /nfs/dbraw/zinc/37/01/65/305370165.db2.gz AQAWNQNKEHATLC-IINYFYTJSA-N 1 0 337.376 1.945 20 5 EDBDRO CNc1c(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cccc1[N+](=O)[O-] ZINC000452376043 305395046 /nfs/dbraw/zinc/39/50/46/305395046.db2.gz KEOHIPWHODDIRS-GFCCVEGCSA-N 1 0 336.392 1.213 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452385047 305396075 /nfs/dbraw/zinc/39/60/75/305396075.db2.gz STIRQWYCMFHUNM-ZDUSSCGKSA-N 1 0 339.367 1.239 20 5 EDBDRO C[NH+]1CCC(CCO)(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000492435596 305591149 /nfs/dbraw/zinc/59/11/49/305591149.db2.gz FSMLJTAPGRWOSX-QPJJXVBHSA-N 1 0 333.388 1.571 20 5 EDBDRO Cc1nccn1C[C@@H](C)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000517127037 305748167 /nfs/dbraw/zinc/74/81/67/305748167.db2.gz JNWXGNWWEZMUCI-ZFWWWQNUSA-N 1 0 348.403 1.765 20 5 EDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000552155307 306176465 /nfs/dbraw/zinc/17/64/65/306176465.db2.gz PJRAJHXPZALCJC-SWHYSGLUSA-N 1 0 339.417 1.209 20 5 EDBDRO C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000552308479 306178879 /nfs/dbraw/zinc/17/88/79/306178879.db2.gz VJSMOMMRGZADPU-SECBINFHSA-N 1 0 342.783 1.044 20 5 EDBDRO C[C@H](C(=O)NCCCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000555721025 306205493 /nfs/dbraw/zinc/20/54/93/306205493.db2.gz AEKGLMJDRGPKIW-AWEZNQCLSA-N 1 0 335.404 1.927 20 5 EDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000493717053 447374898 /nfs/dbraw/zinc/37/48/98/447374898.db2.gz MEWBWMMYRHGDLC-CFHLNLSMSA-N 1 0 327.344 1.978 20 5 EDBDRO CN1CC[NH2+]C[C@@H]1CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414963474 447375411 /nfs/dbraw/zinc/37/54/11/447375411.db2.gz KWBNCEVHKZMPIT-CYBMUJFWSA-N 1 0 330.388 1.848 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000415430141 447432288 /nfs/dbraw/zinc/43/22/88/447432288.db2.gz SPOOWYUKAYQLDR-OAHLLOKOSA-N 1 0 348.403 1.866 20 5 EDBDRO CC(C)[NH+](CCCNS(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)C ZINC000072717222 441254184 /nfs/dbraw/zinc/25/41/84/441254184.db2.gz KLAKPBQAZSTXTF-UHFFFAOYSA-N 1 0 344.437 1.777 20 5 EDBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCCC[NH+]1CCCC1 ZINC000072936271 441277484 /nfs/dbraw/zinc/27/74/84/441277484.db2.gz WJQCIJHYWCHFRQ-UHFFFAOYSA-N 1 0 349.387 1.511 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3ccccc3)CCOCC2)c1 ZINC000072632989 441243816 /nfs/dbraw/zinc/24/38/16/441243816.db2.gz SZYMRRDOBYRUNM-INIZCTEOSA-N 1 0 346.387 1.448 20 5 EDBDRO CC[C@@H](O)C[NH+]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000106397726 441339282 /nfs/dbraw/zinc/33/92/82/441339282.db2.gz NAIORQXTPXMFQS-FYCOFBDGSA-N 1 0 333.388 1.523 20 5 EDBDRO C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000062120946 441297504 /nfs/dbraw/zinc/29/75/04/441297504.db2.gz OANOOIUNBGNDBF-CHWSQXEVSA-N 1 0 348.403 1.770 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)CC1 ZINC000024086375 441304635 /nfs/dbraw/zinc/30/46/35/441304635.db2.gz HDWHBWOICPIZGO-UHFFFAOYSA-N 1 0 342.355 1.717 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000106547866 441354236 /nfs/dbraw/zinc/35/42/36/441354236.db2.gz BOKJMJWYLFTKOP-CYBMUJFWSA-N 1 0 335.408 1.030 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000031674237 441534492 /nfs/dbraw/zinc/53/44/92/441534492.db2.gz UHEPHUVGFHKZMP-UHFFFAOYSA-N 1 0 349.387 1.725 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000109808486 441508507 /nfs/dbraw/zinc/50/85/07/441508507.db2.gz JYVKUXBEZWYEQQ-CYBMUJFWSA-N 1 0 336.392 1.568 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000075889908 441564335 /nfs/dbraw/zinc/56/43/35/441564335.db2.gz JUFVKDZBYNTGPT-MRXNPFEDSA-N 1 0 335.404 1.900 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067136861 441609003 /nfs/dbraw/zinc/60/90/03/441609003.db2.gz QUHBBFGDHGBEDM-GFCCVEGCSA-N 1 0 346.391 1.636 20 5 EDBDRO C[NH+]1CCC(N(Cc2ccccc2F)C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000068113788 441734557 /nfs/dbraw/zinc/73/45/57/441734557.db2.gz ODUCXBOVMWAHJC-ZBFHGGJFSA-N 1 0 335.379 1.914 20 5 EDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[NH+](C)CC1 ZINC000137066879 441742807 /nfs/dbraw/zinc/74/28/07/441742807.db2.gz HWUYXHTZZJVZIE-LLVKDONJSA-N 1 0 340.811 1.614 20 5 EDBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000115579794 441759944 /nfs/dbraw/zinc/75/99/44/441759944.db2.gz PLMNGHMNJITMQH-CYBMUJFWSA-N 1 0 341.433 1.913 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115586048 441762065 /nfs/dbraw/zinc/76/20/65/441762065.db2.gz TXJCBEMWTQPRFA-CYBMUJFWSA-N 1 0 341.433 1.866 20 5 EDBDRO C[NH+](C)Cc1cc(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)ccc1F ZINC000115716009 441773126 /nfs/dbraw/zinc/77/31/26/441773126.db2.gz ILVCAUBKTPHLSQ-UHFFFAOYSA-N 1 0 348.334 1.826 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000121786696 441780971 /nfs/dbraw/zinc/78/09/71/441780971.db2.gz OBCVROVJONGXHS-ZDUSSCGKSA-N 1 0 348.403 1.703 20 5 EDBDRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000077450582 441782943 /nfs/dbraw/zinc/78/29/43/441782943.db2.gz BJWHRQHLGDPDIW-HNNXBMFYSA-N 1 0 346.431 1.694 20 5 EDBDRO COc1ccc(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000161231827 441974649 /nfs/dbraw/zinc/97/46/49/441974649.db2.gz HJJBXYMPVOLQQP-LBPRGKRZSA-N 1 0 345.421 1.597 20 5 EDBDRO C[C@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000069440359 441936625 /nfs/dbraw/zinc/93/66/25/441936625.db2.gz BYVKGKKHLULLGD-GFCCVEGCSA-N 1 0 336.392 1.756 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000078583637 441947133 /nfs/dbraw/zinc/94/71/33/441947133.db2.gz HWVKZLGQDHGGCC-LLVKDONJSA-N 1 0 342.421 1.020 20 5 EDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000151295349 442038537 /nfs/dbraw/zinc/03/85/37/442038537.db2.gz CDZISTZNQBIQDJ-AWEZNQCLSA-N 1 0 331.376 1.883 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000162409095 442091064 /nfs/dbraw/zinc/09/10/64/442091064.db2.gz NGUFRRGGKJXSPF-CYBMUJFWSA-N 1 0 338.433 1.395 20 5 EDBDRO O=C([C@@H]1CCC[NH2+]C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161977040 442051072 /nfs/dbraw/zinc/05/10/72/442051072.db2.gz GBUQHBCZNUKOMT-CYBMUJFWSA-N 1 0 333.388 1.964 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+](C2CC2)CC1 ZINC000126081512 442077131 /nfs/dbraw/zinc/07/71/31/442077131.db2.gz AIZLLDAZDHQRQO-UHFFFAOYSA-N 1 0 348.403 1.712 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000151775091 442118710 /nfs/dbraw/zinc/11/87/10/442118710.db2.gz RWOMKCVUSXDNHN-OAHLLOKOSA-N 1 0 346.391 1.393 20 5 EDBDRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000151806360 442123429 /nfs/dbraw/zinc/12/34/29/442123429.db2.gz MCIWOYYHAASPGW-ZDUSSCGKSA-N 1 0 341.433 1.746 20 5 EDBDRO Cc1c(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000120762030 442128489 /nfs/dbraw/zinc/12/84/89/442128489.db2.gz QRPFDAJFKRXXBK-DGCLKSJQSA-N 1 0 348.403 1.783 20 5 EDBDRO C[C@@H]1CCC[N@H+](CCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000079914655 442096918 /nfs/dbraw/zinc/09/69/18/442096918.db2.gz IJNMRNBCGWUNTN-LLVKDONJSA-N 1 0 331.376 1.975 20 5 EDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCNS(C)(=O)=O ZINC000121296823 442200393 /nfs/dbraw/zinc/20/03/93/442200393.db2.gz UMZOOPZDDWOVGX-LBPRGKRZSA-N 1 0 329.422 1.445 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127717413 442221386 /nfs/dbraw/zinc/22/13/86/442221386.db2.gz MUGHAGJWIOOZTF-AWEZNQCLSA-N 1 0 333.388 1.918 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000128110428 442245825 /nfs/dbraw/zinc/24/58/25/442245825.db2.gz BCCIDTKMLJGUFZ-ZDUSSCGKSA-N 1 0 343.387 1.995 20 5 EDBDRO Cc1nn(CCC(=O)Nc2cc(C[NH+](C)C)ccn2)c(C)c1[N+](=O)[O-] ZINC000176939802 442276209 /nfs/dbraw/zinc/27/62/09/442276209.db2.gz OURBWQIMAPQYPP-UHFFFAOYSA-N 1 0 346.391 1.894 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000177066035 442292972 /nfs/dbraw/zinc/29/29/72/442292972.db2.gz AKYBXDAUSVHFIY-GHMZBOCLSA-N 1 0 349.387 1.967 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177409552 442337515 /nfs/dbraw/zinc/33/75/15/442337515.db2.gz ILIFYCFYKOZMDS-UHFFFAOYSA-N 1 0 335.408 1.623 20 5 EDBDRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000130661981 442352846 /nfs/dbraw/zinc/35/28/46/442352846.db2.gz IHOOWMOXOZYJPV-ZIAGYGMSSA-N 1 0 346.387 1.118 20 5 EDBDRO C[N@@H+]1CCC[C@H](CNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000171748227 442376224 /nfs/dbraw/zinc/37/62/24/442376224.db2.gz SSDUJVDHFVUUID-CYBMUJFWSA-N 1 0 335.408 1.648 20 5 EDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000178962893 442539980 /nfs/dbraw/zinc/53/99/80/442539980.db2.gz SWWPEWWXCCCUGZ-GFCCVEGCSA-N 1 0 329.360 1.462 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000191953604 442546717 /nfs/dbraw/zinc/54/67/17/442546717.db2.gz LWTYTJXUJHJGFE-CYBMUJFWSA-N 1 0 341.433 1.832 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000191870537 442528856 /nfs/dbraw/zinc/52/88/56/442528856.db2.gz QHNLSCCWZZOEAG-UHFFFAOYSA-N 1 0 327.406 1.586 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCC[NH+]1CCCCC1 ZINC000178944788 442533421 /nfs/dbraw/zinc/53/34/21/442533421.db2.gz PGDFRJGJLRWKTQ-UHFFFAOYSA-N 1 0 341.433 1.543 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[NH2+]C2)cc1SC ZINC000179061888 442562604 /nfs/dbraw/zinc/56/26/04/442562604.db2.gz DCEQIXZWIVSHCC-SECBINFHSA-N 1 0 325.390 1.759 20 5 EDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000186959834 442636432 /nfs/dbraw/zinc/63/64/32/442636432.db2.gz XJYHKWHKOHFISD-NPQIQWPPSA-N 1 0 347.415 1.912 20 5 EDBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180546639 442620536 /nfs/dbraw/zinc/62/05/36/442620536.db2.gz KAZYOGFPTWCGHB-GRYCIOLGSA-N 1 0 335.408 1.668 20 5 EDBDRO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000187931797 442699104 /nfs/dbraw/zinc/69/91/04/442699104.db2.gz DAILSIVPJJDSLB-UGSOOPFHSA-N 1 0 347.415 1.967 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000193412323 442740806 /nfs/dbraw/zinc/74/08/06/442740806.db2.gz WZZKFNZULVVKNH-RNCFNFMXSA-N 1 0 327.406 1.488 20 5 EDBDRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000193878494 442804262 /nfs/dbraw/zinc/80/42/62/442804262.db2.gz DUDHZXZVZVDYSD-NSHDSACASA-N 1 0 345.396 1.887 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000268176140 442884672 /nfs/dbraw/zinc/88/46/72/442884672.db2.gz KSBFJEMDSJFBJU-GXFFZTMASA-N 1 0 349.387 1.825 20 5 EDBDRO CN(CC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000247472339 442855654 /nfs/dbraw/zinc/85/56/54/442855654.db2.gz JJBXTKHNSJOYOA-MRXNPFEDSA-N 1 0 333.392 1.220 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000268310170 442942019 /nfs/dbraw/zinc/94/20/19/442942019.db2.gz ZDDQTMIYLNNCCW-JSGCOSHPSA-N 1 0 341.433 1.782 20 5 EDBDRO C[C@@H]1CC[C@@](CO)([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000249556891 442987106 /nfs/dbraw/zinc/98/71/06/442987106.db2.gz KCNHMFKPMUKKGZ-CKEIUWERSA-N 1 0 338.404 1.817 20 5 EDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000189786041 443010798 /nfs/dbraw/zinc/01/07/98/443010798.db2.gz RAHOJWUAOZWBPW-UHFFFAOYSA-N 1 0 337.376 1.397 20 5 EDBDRO C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1[NH+](C)C ZINC000266146599 443035232 /nfs/dbraw/zinc/03/52/32/443035232.db2.gz GMMGFPOYSQEKAH-HZMBPMFUSA-N 1 0 325.340 1.521 20 5 EDBDRO O=C1CC[C@@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CCN1 ZINC000296521159 318704704 /nfs/dbraw/zinc/70/47/04/318704704.db2.gz MQMPXYAYQUWAMB-CQSZACIVSA-N 1 0 332.404 1.633 20 5 EDBDRO CC[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000255118974 443086488 /nfs/dbraw/zinc/08/64/88/443086488.db2.gz XPMLCSDWZFRQFH-HJYQMELSSA-N 1 0 347.415 1.912 20 5 EDBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CC[NH+](C)CC1 ZINC000184658489 443056153 /nfs/dbraw/zinc/05/61/53/443056153.db2.gz QRKJTDHZMUKUOU-MRXNPFEDSA-N 1 0 348.447 1.527 20 5 EDBDRO C[C@@H](C(=O)NCCN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184796212 443077439 /nfs/dbraw/zinc/07/74/39/443077439.db2.gz UNPHIWSRTOATRY-GFCCVEGCSA-N 1 0 338.383 1.201 20 5 EDBDRO CC(C)OC(=O)C[C@@H](NC(=O)CCC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000236763914 443146517 /nfs/dbraw/zinc/14/65/17/443146517.db2.gz BSEHRGRWUYBTGK-CYBMUJFWSA-N 1 0 337.376 1.833 20 5 EDBDRO C[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185249656 443169353 /nfs/dbraw/zinc/16/93/53/443169353.db2.gz ISSUPDVZZGOSDP-DGCLKSJQSA-N 1 0 339.367 1.626 20 5 EDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000237978625 443191122 /nfs/dbraw/zinc/19/11/22/443191122.db2.gz LDDYHDTVIGQUGM-MFKMUULPSA-N 1 0 325.340 1.746 20 5 EDBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237986926 443191293 /nfs/dbraw/zinc/19/12/93/443191293.db2.gz NICDKOHYFWCMJU-CYBMUJFWSA-N 1 0 329.360 1.652 20 5 EDBDRO Cc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000268941418 443154532 /nfs/dbraw/zinc/15/45/32/443154532.db2.gz SVHLFYAACVUQEM-HIFRSBDPSA-N 1 0 334.420 1.894 20 5 EDBDRO C[C@H]1COCCCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000610991018 450399512 /nfs/dbraw/zinc/39/95/12/450399512.db2.gz YFBDPNKOKGMGOT-JTQLQIEISA-N 1 0 337.332 1.373 20 5 EDBDRO COCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccccc1 ZINC000266534465 443159484 /nfs/dbraw/zinc/15/94/84/443159484.db2.gz NQNVLBIENIMOMZ-PBHICJAKSA-N 1 0 348.403 1.862 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1C ZINC000261655562 443162940 /nfs/dbraw/zinc/16/29/40/443162940.db2.gz FUDBZIJFQHWXEM-CHWSQXEVSA-N 1 0 341.433 1.960 20 5 EDBDRO COc1cc(C(=O)NCC[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000269151665 443214074 /nfs/dbraw/zinc/21/40/74/443214074.db2.gz BNNXKQREYWJXSU-SSDOTTSWSA-N 1 0 333.291 1.672 20 5 EDBDRO Cc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)c1[N+](=O)[O-] ZINC000269241669 443246954 /nfs/dbraw/zinc/24/69/54/443246954.db2.gz VTROWPQPDNXPRP-UHFFFAOYSA-N 1 0 347.375 1.536 20 5 EDBDRO COCC(C)(C)[NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411224408 319171309 /nfs/dbraw/zinc/17/13/09/319171309.db2.gz DYXHMBXLMDKMEN-UHFFFAOYSA-N 1 0 325.365 1.947 20 5 EDBDRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000264169327 443253432 /nfs/dbraw/zinc/25/34/32/443253432.db2.gz VEZMHNHEQZFXCK-UHFFFAOYSA-N 1 0 327.406 1.557 20 5 EDBDRO CC[N@@H+]1CC[C@@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 ZINC000413565233 319277792 /nfs/dbraw/zinc/27/77/92/319277792.db2.gz HBGRVNSTJCGIHF-LLVKDONJSA-N 1 0 342.421 1.351 20 5 EDBDRO COC[C@@]1(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCC[NH2+]1 ZINC000414658747 319337507 /nfs/dbraw/zinc/33/75/07/319337507.db2.gz RMZDHKXVJIAPCP-HNNXBMFYSA-N 1 0 338.364 1.494 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000414661049 319337897 /nfs/dbraw/zinc/33/78/97/319337897.db2.gz WMPXJWDSHSZTSL-NEPJUHHUSA-N 1 0 338.364 1.573 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000264413031 443282696 /nfs/dbraw/zinc/28/26/96/443282696.db2.gz IECLKHBIOCTHJO-GPAKFWEMSA-N 1 0 332.404 1.360 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000267033740 443319359 /nfs/dbraw/zinc/31/93/59/443319359.db2.gz LSTODULCQHBLOB-LLVKDONJSA-N 1 0 342.421 1.163 20 5 EDBDRO CN(CC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000272455937 443324866 /nfs/dbraw/zinc/32/48/66/443324866.db2.gz JYZUUOHOSVREAR-XJKSGUPXSA-N 1 0 332.404 1.584 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000278429225 443329170 /nfs/dbraw/zinc/32/91/70/443329170.db2.gz DARDWBZPHPLCPR-CQSZACIVSA-N 1 0 334.420 1.659 20 5 EDBDRO CCn1c(CC[NH3+])nnc1Sc1ncc([N+](=O)[O-])cc1Cl ZINC000267069441 443331676 /nfs/dbraw/zinc/33/16/76/443331676.db2.gz DIWPOUXBZFJWPG-UHFFFAOYSA-N 1 0 328.785 1.907 20 5 EDBDRO O=[N+]([O-])c1c(N2CC[NH+](C3CCOCC3)CC2)nc2sccn21 ZINC000267075407 443334211 /nfs/dbraw/zinc/33/42/11/443334211.db2.gz RMKPDCVLLUMGLH-UHFFFAOYSA-N 1 0 337.405 1.605 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000264594301 443339493 /nfs/dbraw/zinc/33/94/93/443339493.db2.gz WQJMXORSQOZKNP-LBPRGKRZSA-N 1 0 332.360 1.527 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)c1C ZINC000264596346 443339577 /nfs/dbraw/zinc/33/95/77/443339577.db2.gz BWTNMMXFFQVYCO-CYBMUJFWSA-N 1 0 341.433 1.926 20 5 EDBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000269534326 443340512 /nfs/dbraw/zinc/34/05/12/443340512.db2.gz TUDCNIIRPAORBW-LBPRGKRZSA-N 1 0 335.408 1.999 20 5 EDBDRO CCN1CCN(C(=O)[C@@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000282452384 443343041 /nfs/dbraw/zinc/34/30/41/443343041.db2.gz LXJQMZZXEKEOPQ-OAHLLOKOSA-N 1 0 348.447 1.622 20 5 EDBDRO CCN1CC[NH+]([C@@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)CC1 ZINC000278546238 443360059 /nfs/dbraw/zinc/36/00/59/443360059.db2.gz VKVYYTBGTGMEEZ-CQSZACIVSA-N 1 0 344.419 1.687 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000419273410 319580133 /nfs/dbraw/zinc/58/01/33/319580133.db2.gz QOQGNZSVGXKNIN-DGCLKSJQSA-N 1 0 334.376 1.030 20 5 EDBDRO O=C1[C@H](N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420388429 319615337 /nfs/dbraw/zinc/61/53/37/319615337.db2.gz GWVKBBTXRPUIRJ-DVOMOZLQSA-N 1 0 330.388 1.526 20 5 EDBDRO CC(C)NC(=O)c1ccc(NC[C@@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000264787342 443425310 /nfs/dbraw/zinc/42/53/10/443425310.db2.gz RVXSBDIJAQHICG-CQSZACIVSA-N 1 0 349.435 1.391 20 5 EDBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000264737395 443398469 /nfs/dbraw/zinc/39/84/69/443398469.db2.gz JXQJFJWMUUIAPE-CYBMUJFWSA-N 1 0 338.433 1.049 20 5 EDBDRO COc1cc(OCC(=O)N[C@@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000264960820 443492603 /nfs/dbraw/zinc/49/26/03/443492603.db2.gz ZRJHHKCVGIMIPI-NSHDSACASA-N 1 0 325.365 1.439 20 5 EDBDRO C[C@@H]1CN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C[C@H]1[NH+](C)C ZINC000272875660 443475512 /nfs/dbraw/zinc/47/55/12/443475512.db2.gz UPABLSPORRXGRI-HFBAOOFYSA-N 1 0 346.387 1.496 20 5 EDBDRO Cc1nnc([C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)[nH]1 ZINC000270612917 443477131 /nfs/dbraw/zinc/47/71/31/443477131.db2.gz ZQKMMBFOXKNVJR-GFCCVEGCSA-N 1 0 332.364 1.063 20 5 EDBDRO [NH3+]CCCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000272910188 443486863 /nfs/dbraw/zinc/48/68/63/443486863.db2.gz DUMBSJVMYMTKNU-UHFFFAOYSA-N 1 0 334.145 1.965 20 5 EDBDRO CC(C)OCCOC[C@H](O)C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000265276491 443591999 /nfs/dbraw/zinc/59/19/99/443591999.db2.gz VZZQIHZBFKHJEG-QGZVFWFLSA-N 1 0 340.420 1.872 20 5 EDBDRO O=C(C[NH2+][C@H]1CCC[C@@H]1CCO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000279337687 443558533 /nfs/dbraw/zinc/55/85/33/443558533.db2.gz ULZHMGMMMCMTOI-DOMZBBRYSA-N 1 0 333.388 1.625 20 5 EDBDRO [NH3+]CCCC(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000423896278 319825100 /nfs/dbraw/zinc/82/51/00/319825100.db2.gz JHPZEEHNSOYZIR-UHFFFAOYSA-N 1 0 346.391 1.249 20 5 EDBDRO CC(C)([NH3+])C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000423900115 319825678 /nfs/dbraw/zinc/82/56/78/319825678.db2.gz LRUDBBPYSWYFOQ-UHFFFAOYSA-N 1 0 346.391 1.247 20 5 EDBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1O ZINC000275678514 443637596 /nfs/dbraw/zinc/63/75/96/443637596.db2.gz YQZABTQSAZHALE-HZMBPMFUSA-N 1 0 325.340 1.765 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH+](C)C)c1C ZINC000429332139 319925739 /nfs/dbraw/zinc/92/57/39/319925739.db2.gz SJTSYMQTBHPGKZ-STQMWFEESA-N 1 0 341.433 1.973 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCOCC[NH+](C)C ZINC000439918458 320053553 /nfs/dbraw/zinc/05/35/53/320053553.db2.gz UQBBHRBPEBTDSU-UHFFFAOYSA-N 1 0 340.380 1.693 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000440353687 320073540 /nfs/dbraw/zinc/07/35/40/320073540.db2.gz IYEIPQSSXDEQTG-QWHCGFSZSA-N 1 0 341.433 1.878 20 5 EDBDRO CSc1ccc(C(=O)NC[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000449703168 320199961 /nfs/dbraw/zinc/19/99/61/320199961.db2.gz FNDIYXQRDNWFRF-LLVKDONJSA-N 1 0 325.390 1.425 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000449728889 320202350 /nfs/dbraw/zinc/20/23/50/320202350.db2.gz XTZXWTOVVQDTBS-SRVKXCTJSA-N 1 0 338.412 1.071 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449740721 320203208 /nfs/dbraw/zinc/20/32/08/320203208.db2.gz HHMLVAJIIVMIEA-CWSCBRNRSA-N 1 0 339.779 1.836 20 5 EDBDRO COc1nccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000453262505 320261498 /nfs/dbraw/zinc/26/14/98/320261498.db2.gz SRBOPKARBUKZSH-QWHCGFSZSA-N 1 0 332.364 1.863 20 5 EDBDRO C[NH+](C)CC(=O)N1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000286291011 443684519 /nfs/dbraw/zinc/68/45/19/443684519.db2.gz XUJKQJIWXHMWHB-UHFFFAOYSA-N 1 0 326.784 1.458 20 5 EDBDRO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000492742067 320384409 /nfs/dbraw/zinc/38/44/09/320384409.db2.gz WWJAZEKDBSSDIL-PSKZRQQASA-N 1 0 347.415 1.912 20 5 EDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000493659168 320396696 /nfs/dbraw/zinc/39/66/96/320396696.db2.gz LFGQTAHHSIFOAM-HWYHOQROSA-N 1 0 333.388 1.571 20 5 EDBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC[N@H+]1CC=CCC1 ZINC000280269962 443687847 /nfs/dbraw/zinc/68/78/47/443687847.db2.gz PGAKXRAUIKNLFH-UHFFFAOYSA-N 1 0 328.372 1.928 20 5 EDBDRO CCN(CCC[NH+](CC)CC)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000276424980 443702255 /nfs/dbraw/zinc/70/22/55/443702255.db2.gz JQBDDMNCWFEDDR-UHFFFAOYSA-N 1 0 325.413 1.680 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000290909628 443708931 /nfs/dbraw/zinc/70/89/31/443708931.db2.gz WMAFVDNNUFKIBX-AWEZNQCLSA-N 1 0 348.403 1.696 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2c[nH]c3ccc(F)cc23)c1 ZINC000518519472 320458263 /nfs/dbraw/zinc/45/82/63/320458263.db2.gz UAFAIDVPCANOJD-AWEZNQCLSA-N 1 0 347.350 1.605 20 5 EDBDRO COC(=O)[C@@H](C)N(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000298366672 443755268 /nfs/dbraw/zinc/75/52/68/443755268.db2.gz CRJJOCLYOHBLIF-SNVBAGLBSA-N 1 0 339.348 1.425 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000298388992 443759380 /nfs/dbraw/zinc/75/93/80/443759380.db2.gz GVCVBITYMHPZAD-UHFFFAOYSA-N 1 0 348.403 1.704 20 5 EDBDRO Cc1ccc(CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000292759299 443836518 /nfs/dbraw/zinc/83/65/18/443836518.db2.gz JICAVQNCDQVXPX-CYBMUJFWSA-N 1 0 327.406 1.369 20 5 EDBDRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292786114 443843336 /nfs/dbraw/zinc/84/33/36/443843336.db2.gz LCBLLWBKLHZGQB-HNNXBMFYSA-N 1 0 339.417 1.701 20 5 EDBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000288348706 443852142 /nfs/dbraw/zinc/85/21/42/443852142.db2.gz KDIJLIFFFUJNKP-UHFFFAOYSA-N 1 0 342.355 1.652 20 5 EDBDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285126247 443865410 /nfs/dbraw/zinc/86/54/10/443865410.db2.gz KOLXGCVCQWWDEU-UHFFFAOYSA-N 1 0 343.387 1.755 20 5 EDBDRO CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000281300235 443872817 /nfs/dbraw/zinc/87/28/17/443872817.db2.gz XCEVOSMHTACINP-INIZCTEOSA-N 1 0 334.376 1.300 20 5 EDBDRO Cn1nccc1[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000281422134 443906462 /nfs/dbraw/zinc/90/64/62/443906462.db2.gz OSCHDDDWLBATFC-ZFWWWQNUSA-N 1 0 334.380 1.113 20 5 EDBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000285418554 443977062 /nfs/dbraw/zinc/97/70/62/443977062.db2.gz GNWSXGHQMSEQCJ-TZMCWYRMSA-N 1 0 341.433 1.792 20 5 EDBDRO Cc1ccc2c(c1)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCO2 ZINC000285584980 444037371 /nfs/dbraw/zinc/03/73/71/444037371.db2.gz OONBOYLAYRSKRF-OAHLLOKOSA-N 1 0 332.360 1.355 20 5 EDBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000299409142 444038978 /nfs/dbraw/zinc/03/89/78/444038978.db2.gz OGQARSUEHCVZEI-NWDGAFQWSA-N 1 0 343.380 1.639 20 5 EDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285639278 444056808 /nfs/dbraw/zinc/05/68/08/444056808.db2.gz LELAZWXOEAGWRV-IUODEOHRSA-N 1 0 346.387 1.619 20 5 EDBDRO CC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000563138248 321098234 /nfs/dbraw/zinc/09/82/34/321098234.db2.gz LTQKSOOEVMWICA-DRZSPHRISA-N 1 0 334.319 1.329 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000565540281 321190444 /nfs/dbraw/zinc/19/04/44/321190444.db2.gz OLLWIDNYOYQDIN-NWDGAFQWSA-N 1 0 327.406 1.038 20 5 EDBDRO COc1ccc(CC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000566100008 321214364 /nfs/dbraw/zinc/21/43/64/321214364.db2.gz ORLRDKXBIUUWJE-MELADBBJSA-N 1 0 333.388 1.732 20 5 EDBDRO Cc1nn(C)c(N2CCC(C[NH+]3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000301287925 444161026 /nfs/dbraw/zinc/16/10/26/444161026.db2.gz OYNZDXFUMNTTRM-UHFFFAOYSA-N 1 0 336.440 1.101 20 5 EDBDRO COCCO[C@H]1C[C@H](CO)CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000278268517 444124096 /nfs/dbraw/zinc/12/40/96/444124096.db2.gz IZQGGPACRHAEQZ-AAEUAGOBSA-N 1 0 330.406 1.502 20 5 EDBDRO Cc1cc(N2CC[N@H+](CCO)[C@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302438656 444213328 /nfs/dbraw/zinc/21/33/28/444213328.db2.gz PYLYLHFCIWQGDB-CYBMUJFWSA-N 1 0 330.388 1.954 20 5 EDBDRO Cc1cc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000301961080 444198415 /nfs/dbraw/zinc/19/84/15/444198415.db2.gz MNHYOWAVTWMWNE-INIZCTEOSA-N 1 0 332.404 1.822 20 5 EDBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302022181 444200821 /nfs/dbraw/zinc/20/08/21/444200821.db2.gz FXOXHURUWFMWED-INIZCTEOSA-N 1 0 348.447 1.693 20 5 EDBDRO Cc1cc(NC[C@H]2CN3CCN2CC3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302104640 444204371 /nfs/dbraw/zinc/20/43/71/444204371.db2.gz WVZNJXZORCKTSP-AWEZNQCLSA-N 1 0 327.388 1.863 20 5 EDBDRO CCS[C@H]1CCCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304330802 444247036 /nfs/dbraw/zinc/24/70/36/444247036.db2.gz VBQKJVYFUCZOQY-KGLIPLIRSA-N 1 0 328.438 1.760 20 5 EDBDRO Cc1cc(=O)n(C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000305078561 444256462 /nfs/dbraw/zinc/25/64/62/444256462.db2.gz RFNHODPAAUQFKN-HNNXBMFYSA-N 1 0 331.372 1.558 20 5 EDBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000305217461 444265900 /nfs/dbraw/zinc/26/59/00/444265900.db2.gz IOSOESKDXWQSJW-ZDUSSCGKSA-N 1 0 327.768 1.889 20 5 EDBDRO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000297043180 444270245 /nfs/dbraw/zinc/27/02/45/444270245.db2.gz UVQZLFMGLOGGQE-HNNXBMFYSA-N 1 0 345.403 1.265 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000319277836 444323283 /nfs/dbraw/zinc/32/32/83/444323283.db2.gz DXVYHUJQOOIHAQ-MWLCHTKSSA-N 1 0 331.369 1.482 20 5 EDBDRO O=C(NCCC[NH2+]C1CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000577851799 321687903 /nfs/dbraw/zinc/68/79/03/321687903.db2.gz LLOURKWSFULZMR-UHFFFAOYSA-N 1 0 329.360 1.652 20 5 EDBDRO C[C@@](O)(CN1CCN(c2ncccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000297296764 444281561 /nfs/dbraw/zinc/28/15/61/444281561.db2.gz AGPYVUGLBKYMFB-GFCCVEGCSA-N 1 0 334.298 1.425 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000322355669 444339753 /nfs/dbraw/zinc/33/97/53/444339753.db2.gz AGEDZSSUXVPEJK-OLZOCXBDSA-N 1 0 341.433 1.960 20 5 EDBDRO Cc1cc(NCCCCS(N)(=O)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000324055401 444350031 /nfs/dbraw/zinc/35/00/31/444350031.db2.gz VJNIRKFNNRVRSN-UHFFFAOYSA-N 1 0 338.389 1.932 20 5 EDBDRO COc1cc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c([N+](=O)[O-])cc1OC ZINC000324788285 444358777 /nfs/dbraw/zinc/35/87/77/444358777.db2.gz IYCAMYXOXAEHSR-ZWNOBZJWSA-N 1 0 337.376 1.811 20 5 EDBDRO C[C@@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000578379978 321766758 /nfs/dbraw/zinc/76/67/58/321766758.db2.gz NNQJIMZWPTZHHC-ZDUSSCGKSA-N 1 0 341.433 1.994 20 5 EDBDRO O=[N+]([O-])c1ccc2ncnc(N3CCN([C@H]4CC[NH2+]C4)CC3)c2c1 ZINC000326893696 444379235 /nfs/dbraw/zinc/37/92/35/444379235.db2.gz ZYFGHXIHHOXWIN-ZDUSSCGKSA-N 1 0 328.376 1.022 20 5 EDBDRO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000298043690 444395876 /nfs/dbraw/zinc/39/58/76/444395876.db2.gz HCJLUZGPEBNUBO-VIFPVBQESA-N 1 0 340.767 1.349 20 5 EDBDRO Cc1cc(N[C@H]2CCCN(CCO)C2=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000337916464 444458714 /nfs/dbraw/zinc/45/87/14/444458714.db2.gz RCCNYWKQSNYJDX-HNNXBMFYSA-N 1 0 344.371 1.269 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H](CO)c2ccccc2)c1 ZINC000580834329 322101515 /nfs/dbraw/zinc/10/15/15/322101515.db2.gz NVTYCJYTIUPCLX-RDJZCZTQSA-N 1 0 346.383 1.700 20 5 EDBDRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000581428628 322176470 /nfs/dbraw/zinc/17/64/70/322176470.db2.gz TYCWDZPMFWXEIT-AWEZNQCLSA-N 1 0 344.375 1.051 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)s1 ZINC000582002947 322243868 /nfs/dbraw/zinc/24/38/68/322243868.db2.gz MMUPIRGDZZQVSU-LBPRGKRZSA-N 1 0 331.419 1.421 20 5 EDBDRO COc1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000341008489 444628043 /nfs/dbraw/zinc/62/80/43/444628043.db2.gz CLNWLZMXXNRROU-YPMHNXCESA-N 1 0 336.392 1.885 20 5 EDBDRO CNC(=O)N[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000342353138 444649721 /nfs/dbraw/zinc/64/97/21/444649721.db2.gz KJOVZLDLUWLLBL-GFCCVEGCSA-N 1 0 349.391 1.235 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000344027400 444737215 /nfs/dbraw/zinc/73/72/15/444737215.db2.gz LGOPOAHUOJQJBO-DUVNUKRYSA-N 1 0 333.388 1.935 20 5 EDBDRO COCC[N@@H+]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000342554886 444742104 /nfs/dbraw/zinc/74/21/04/444742104.db2.gz YLIFIZICEBCWHA-UHFFFAOYSA-N 1 0 325.340 1.528 20 5 EDBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000334010306 444746096 /nfs/dbraw/zinc/74/60/96/444746096.db2.gz IHLQXLQMSFFNNA-QWHCGFSZSA-N 1 0 348.403 1.266 20 5 EDBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H]2CCC(=O)NC2(C)C)cccc1[N+](=O)[O-] ZINC000338593836 444762249 /nfs/dbraw/zinc/76/22/49/444762249.db2.gz VAHXZDKHZDWNJJ-BXUZGUMPSA-N 1 0 348.403 1.877 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000342691383 444816705 /nfs/dbraw/zinc/81/67/05/444816705.db2.gz HMGWMLRCGPRXRS-OUCADQQQSA-N 1 0 333.392 1.391 20 5 EDBDRO COc1ccc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000344320465 444897903 /nfs/dbraw/zinc/89/79/03/444897903.db2.gz DCGLONWJUGKLEH-LBPRGKRZSA-N 1 0 328.390 1.660 20 5 EDBDRO Cc1c(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000337022768 444904969 /nfs/dbraw/zinc/90/49/69/444904969.db2.gz SSSVHPSEPVKLFV-CQSZACIVSA-N 1 0 335.404 1.726 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](CO)c2cccc(Cl)c2F)n1 ZINC000337238528 444998616 /nfs/dbraw/zinc/99/86/16/444998616.db2.gz ZKFPLINIPKIEQC-LLVKDONJSA-N 1 0 328.731 1.907 20 5 EDBDRO C[NH+](C)Cc1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cn1 ZINC000339366359 445133881 /nfs/dbraw/zinc/13/38/81/445133881.db2.gz ZARKTUJTRFTXGT-UHFFFAOYSA-N 1 0 340.343 2.180 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342114784 445179771 /nfs/dbraw/zinc/17/97/71/445179771.db2.gz WSMQTCQVHFCIDL-NWANDNLSSA-N 1 0 332.404 1.901 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000330817022 445152597 /nfs/dbraw/zinc/15/25/97/445152597.db2.gz RFFMTJWSQNMNPO-CHWSQXEVSA-N 1 0 348.403 1.184 20 5 EDBDRO Cc1cnc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000343421761 445219402 /nfs/dbraw/zinc/21/94/02/445219402.db2.gz DMVWOXFUVCLSHA-GJZGRUSLSA-N 1 0 333.436 1.760 20 5 EDBDRO COc1cc(OCC(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000343468423 445228557 /nfs/dbraw/zinc/22/85/57/445228557.db2.gz DLUMIFJKODQEGT-WCQYABFASA-N 1 0 337.376 1.581 20 5 EDBDRO C[C@H]1[C@@H](NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC[N@@H+]1C ZINC000343450187 445225266 /nfs/dbraw/zinc/22/52/66/445225266.db2.gz QQBOKLQYISNZTN-AAEUAGOBSA-N 1 0 349.387 1.507 20 5 EDBDRO CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347462501 445238987 /nfs/dbraw/zinc/23/89/87/445238987.db2.gz MZVNXDKELUTANE-AWEZNQCLSA-N 1 0 343.387 1.675 20 5 EDBDRO CC[NH+](CC)CCOCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000348155598 445291673 /nfs/dbraw/zinc/29/16/73/445291673.db2.gz GXCICVYNRZRJJX-UHFFFAOYSA-N 1 0 327.356 1.822 20 5 EDBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000351730273 445297002 /nfs/dbraw/zinc/29/70/02/445297002.db2.gz KRMCGPRMOOPPSR-GFCCVEGCSA-N 1 0 335.408 1.812 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000355867547 445512801 /nfs/dbraw/zinc/51/28/01/445512801.db2.gz SVROPJZJYRKDRJ-UHFFFAOYSA-N 1 0 325.413 1.677 20 5 EDBDRO CC[N@H+](CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)C(C)C ZINC000357241511 445501679 /nfs/dbraw/zinc/50/16/79/445501679.db2.gz UDNQGZZTDPLHAL-UHFFFAOYSA-N 1 0 330.410 1.384 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1 ZINC000360118798 445577499 /nfs/dbraw/zinc/57/74/99/445577499.db2.gz RQSXYLUEANNLKI-KGLIPLIRSA-N 1 0 339.417 1.863 20 5 EDBDRO C[C@@H]1C[C@@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000353278003 445584543 /nfs/dbraw/zinc/58/45/43/445584543.db2.gz PPCAXVVINLRQNY-ZJUUUORDSA-N 1 0 328.394 1.137 20 5 EDBDRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc([N+](=O)[O-])cn1 ZINC000363145998 445695733 /nfs/dbraw/zinc/69/57/33/445695733.db2.gz VGKHCDCRQNYGOA-QLPKVWCKSA-N 1 0 338.367 1.850 20 5 EDBDRO CC[C@@H](NC(=O)NC[C@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358707248 445731928 /nfs/dbraw/zinc/73/19/28/445731928.db2.gz ONQHYQCRJWXNCC-GDBMZVCRSA-N 1 0 336.392 1.412 20 5 EDBDRO O=C(C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)NCC(F)F ZINC000360922443 445738629 /nfs/dbraw/zinc/73/86/29/445738629.db2.gz QBGBFLVCEGMICY-ZJUUUORDSA-N 1 0 331.323 1.246 20 5 EDBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000353770397 445747246 /nfs/dbraw/zinc/74/72/46/445747246.db2.gz UIFMXCGZXBDMIS-DQOPKJQZSA-N 1 0 335.404 1.233 20 5 EDBDRO CN(CC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000363269981 445748538 /nfs/dbraw/zinc/74/85/38/445748538.db2.gz QBNRBPQFPSHFHV-KBPBESRZSA-N 1 0 348.403 1.010 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373057346 445998490 /nfs/dbraw/zinc/99/84/90/445998490.db2.gz OCPFLZSVANOIBQ-YPMHNXCESA-N 1 0 325.390 1.276 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000354190990 445984623 /nfs/dbraw/zinc/98/46/23/445984623.db2.gz MTGSPQAGVVKFNS-HNNXBMFYSA-N 1 0 348.403 1.552 20 5 EDBDRO CCCc1n[nH]c(C(=O)N2CCC([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000369136619 445948879 /nfs/dbraw/zinc/94/88/79/445948879.db2.gz GHJBYXNJTQMBHC-UHFFFAOYSA-N 1 0 335.408 1.971 20 5 EDBDRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000373112068 446034526 /nfs/dbraw/zinc/03/45/26/446034526.db2.gz JKEYTUFRYGJXDZ-LBPRGKRZSA-N 1 0 347.379 1.352 20 5 EDBDRO CO[C@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000359211945 446040562 /nfs/dbraw/zinc/04/05/62/446040562.db2.gz KBDMWZTWHAIHAQ-STQMWFEESA-N 1 0 337.376 1.328 20 5 EDBDRO C[C@@H](O)CC(C)(C)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583929322 326166915 /nfs/dbraw/zinc/16/69/15/326166915.db2.gz CCUOJYLSXYGGNB-GFCCVEGCSA-N 1 0 344.433 1.755 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000369327424 446075768 /nfs/dbraw/zinc/07/57/68/446075768.db2.gz RTGVUHVYDOXGDK-VHDGCEQUSA-N 1 0 339.417 1.484 20 5 EDBDRO CC[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000351539689 446140654 /nfs/dbraw/zinc/14/06/54/446140654.db2.gz VADQGMHKXMZYMT-KBPBESRZSA-N 1 0 334.376 1.030 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365542359 446246884 /nfs/dbraw/zinc/24/68/84/446246884.db2.gz ZCGBOIBCIXKXGQ-IAOVAPTHSA-N 1 0 345.399 1.916 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000373563153 446262008 /nfs/dbraw/zinc/26/20/08/446262008.db2.gz UANAALXBSGKURV-CZUORRHYSA-N 1 0 333.388 1.964 20 5 EDBDRO CCc1ccc([C@H](CO)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000359538351 446280880 /nfs/dbraw/zinc/28/08/80/446280880.db2.gz MTNGNXQPYYYHIN-HOTGVXAUSA-N 1 0 334.376 1.038 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373885897 446339653 /nfs/dbraw/zinc/33/96/53/446339653.db2.gz PACZNQXNMSXVMV-RYUDHWBXSA-N 1 0 325.390 1.276 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000366868083 446389592 /nfs/dbraw/zinc/38/95/92/446389592.db2.gz LRYSTNYFYAAXCQ-UKRRQHHQSA-N 1 0 346.387 1.442 20 5 EDBDRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1ncc([N+](=O)[O-])cn1 ZINC000370705377 446395113 /nfs/dbraw/zinc/39/51/13/446395113.db2.gz GMXCBELNAPCSQU-SWLSCSKDSA-N 1 0 345.407 1.638 20 5 EDBDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411230433 446433406 /nfs/dbraw/zinc/43/34/06/446433406.db2.gz WEPOGWXRFWDPAQ-RYUDHWBXSA-N 1 0 334.376 1.509 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000418083934 446436643 /nfs/dbraw/zinc/43/66/43/446436643.db2.gz NRXQZOSQLPDRTA-QWRGUYRKSA-N 1 0 346.391 1.740 20 5 EDBDRO NS(=O)(=O)c1cccc(NCCC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000420267055 446439473 /nfs/dbraw/zinc/43/94/73/446439473.db2.gz GKTYZUSLCNNNEE-SNVBAGLBSA-N 1 0 328.394 1.186 20 5 EDBDRO C[C@@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000417977658 446406033 /nfs/dbraw/zinc/40/60/33/446406033.db2.gz HEALQEBDZKCHCD-SKDRFNHKSA-N 1 0 328.319 1.952 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420285115 446451457 /nfs/dbraw/zinc/45/14/57/446451457.db2.gz DTTUWWKIDDYGEI-OLZOCXBDSA-N 1 0 341.433 1.428 20 5 EDBDRO Cc1cc(NC[C@@H]2C[NH2+]CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420292354 446455617 /nfs/dbraw/zinc/45/56/17/446455617.db2.gz YSOGWWGPTNEZGN-AWEZNQCLSA-N 1 0 329.360 1.182 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000420313038 446477661 /nfs/dbraw/zinc/47/76/61/446477661.db2.gz TWSUCSGSCYRACG-TXEJJXNPSA-N 1 0 336.392 1.614 20 5 EDBDRO C[C@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000420326469 446493880 /nfs/dbraw/zinc/49/38/80/446493880.db2.gz CHVSWASPAXFEOK-GXTWGEPZSA-N 1 0 341.433 1.428 20 5 EDBDRO C[NH+](C)[C@H]1CCOc2c(Nc3ncc([N+](=O)[O-])c(N)n3)cccc21 ZINC000432944296 446516351 /nfs/dbraw/zinc/51/63/51/446516351.db2.gz MBFZYIKINBJFFK-NSHDSACASA-N 1 0 330.348 2.096 20 5 EDBDRO C[C@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000420390009 446564470 /nfs/dbraw/zinc/56/44/70/446564470.db2.gz HQQBKTWOBDJTJL-RYUDHWBXSA-N 1 0 327.406 1.051 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000375022632 446520326 /nfs/dbraw/zinc/52/03/26/446520326.db2.gz SADNCZCLBLFGOG-DOMZBBRYSA-N 1 0 349.387 1.535 20 5 EDBDRO O=C(CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1[N+](=O)[O-] ZINC000420391473 446567423 /nfs/dbraw/zinc/56/74/23/446567423.db2.gz IJWPTCICUWGOLZ-DZGCQCFKSA-N 1 0 332.404 1.997 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000423627523 446614784 /nfs/dbraw/zinc/61/47/84/446614784.db2.gz UOOKLYVEPUFANK-GWCFXTLKSA-N 1 0 335.360 1.642 20 5 EDBDRO C[C@@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1C[NH3+] ZINC000420398275 446572138 /nfs/dbraw/zinc/57/21/38/446572138.db2.gz GUZFMGBCNCDDPX-WWGRRREGSA-N 1 0 332.404 1.617 20 5 EDBDRO CN(C)c1cc(F)c(C(=O)N2CC[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000375090582 446572478 /nfs/dbraw/zinc/57/24/78/446572478.db2.gz NTBBOFSJZFXALG-UHFFFAOYSA-N 1 0 336.367 1.720 20 5 EDBDRO C[C@@H](C[S@](C)=O)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411511329 446578756 /nfs/dbraw/zinc/57/87/56/446578756.db2.gz IVDLXNAGRXSQMD-SAHAZLINSA-N 1 0 327.406 1.622 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000423594804 446593623 /nfs/dbraw/zinc/59/36/23/446593623.db2.gz OSGLXMGNSHOJMO-OLZOCXBDSA-N 1 0 348.403 1.431 20 5 EDBDRO CC(C)c1[nH]nc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1[N+](=O)[O-] ZINC000433772769 446597488 /nfs/dbraw/zinc/59/74/88/446597488.db2.gz FAAZWRFRIHPGIV-UHFFFAOYSA-N 1 0 341.331 2.274 20 5 EDBDRO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000420469938 446645669 /nfs/dbraw/zinc/64/56/69/446645669.db2.gz WGGWVQOGMBFVSA-JTQLQIEISA-N 1 0 335.813 1.900 20 5 EDBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000376680845 446647843 /nfs/dbraw/zinc/64/78/43/446647843.db2.gz PBDZXHGCOBPTLX-LRDDRELGSA-N 1 0 341.371 1.605 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000420481869 446651414 /nfs/dbraw/zinc/65/14/14/446651414.db2.gz SDZMWRUOYHWQHR-MFKMUULPSA-N 1 0 341.433 1.817 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCOCC3(CCC3)C2)c1 ZINC000375188400 446631790 /nfs/dbraw/zinc/63/17/90/446631790.db2.gz SWIDTHYYUCBISO-HNNXBMFYSA-N 1 0 336.388 1.837 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000375187914 446632068 /nfs/dbraw/zinc/63/20/68/446632068.db2.gz QCFGQMKEDZXFHG-WFASDCNBSA-N 1 0 339.417 1.451 20 5 EDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418769437 446688986 /nfs/dbraw/zinc/68/89/86/446688986.db2.gz ROUUSZIJOCTXON-ZDUSSCGKSA-N 1 0 342.346 1.776 20 5 EDBDRO C[C@@H]1C[N@H+](CCCNc2c(C(N)=O)cccc2[N+](=O)[O-])CCCO1 ZINC000420608888 446700317 /nfs/dbraw/zinc/70/03/17/446700317.db2.gz FOZXBXQFOSVHCI-GFCCVEGCSA-N 1 0 336.392 1.607 20 5 EDBDRO COC(=O)[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+](C)C1 ZINC000411905348 446715022 /nfs/dbraw/zinc/71/50/22/446715022.db2.gz BHMJAZIKLGRMPB-JTQLQIEISA-N 1 0 343.330 1.410 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000368232157 446725788 /nfs/dbraw/zinc/72/57/88/446725788.db2.gz PYHRGSMWZBBXSL-KFWWJZLASA-N 1 0 336.392 1.186 20 5 EDBDRO C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375382496 446760648 /nfs/dbraw/zinc/76/06/48/446760648.db2.gz WSZXAKHMVLMRDN-CHWSQXEVSA-N 1 0 338.412 1.478 20 5 EDBDRO O=C1C[C@H]([C@H]2CCCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)CN1 ZINC000371308128 446763266 /nfs/dbraw/zinc/76/32/66/446763266.db2.gz LGUYAGXWOCKJOM-XJKSGUPXSA-N 1 0 333.388 1.964 20 5 EDBDRO C[C@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C[C@H]1[NH3+] ZINC000423943310 446791417 /nfs/dbraw/zinc/79/14/17/446791417.db2.gz GDMXDVDWQVFGGA-XJKSGUPXSA-N 1 0 335.407 1.960 20 5 EDBDRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000371368088 446810670 /nfs/dbraw/zinc/81/06/70/446810670.db2.gz FCHZERZDVPOIEW-QGZVFWFLSA-N 1 0 344.415 1.476 20 5 EDBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000368376278 446822051 /nfs/dbraw/zinc/82/20/51/446822051.db2.gz LTYCIBHVZQBGPV-CQSZACIVSA-N 1 0 342.359 1.047 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@]2(CO)Cc2ccccc2)n1 ZINC000375467353 446822922 /nfs/dbraw/zinc/82/29/22/446822922.db2.gz IGUFROIVYSYROB-KRWDZBQOSA-N 1 0 330.388 1.861 20 5 EDBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000424042482 446830342 /nfs/dbraw/zinc/83/03/42/446830342.db2.gz PRELKOSUIGRCFT-HNNXBMFYSA-N 1 0 335.408 1.418 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420772007 446808308 /nfs/dbraw/zinc/80/83/08/446808308.db2.gz SYXBKWWZHMBRQW-LBPRGKRZSA-N 1 0 327.406 1.618 20 5 EDBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000419007873 446861200 /nfs/dbraw/zinc/86/12/00/446861200.db2.gz SKUMXFMEIDVINM-UWVGGRQHSA-N 1 0 325.394 1.195 20 5 EDBDRO C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000454493666 446892687 /nfs/dbraw/zinc/89/26/87/446892687.db2.gz VWFCFZQDJCDWNE-SWLSCSKDSA-N 1 0 335.408 1.201 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](O)CC23CCC3)c1 ZINC000420993679 446971227 /nfs/dbraw/zinc/97/12/27/446971227.db2.gz MCICOTZEJXXLKY-GJZGRUSLSA-N 1 0 336.388 1.714 20 5 EDBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000372182424 447023254 /nfs/dbraw/zinc/02/32/54/447023254.db2.gz YQZZIMCWAAOCAH-CQSZACIVSA-N 1 0 348.403 1.233 20 5 EDBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000372176607 447021158 /nfs/dbraw/zinc/02/11/58/447021158.db2.gz UYYAWLUIHJYJOH-UHFFFAOYSA-N 1 0 343.380 1.639 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000368708549 447056313 /nfs/dbraw/zinc/05/63/13/447056313.db2.gz VSJHGYMWQUSVBL-AWEZNQCLSA-N 1 0 336.388 1.837 20 5 EDBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444643066 447113463 /nfs/dbraw/zinc/11/34/63/447113463.db2.gz JJKIKWDPGLSTKQ-CQSZACIVSA-N 1 0 331.376 1.962 20 5 EDBDRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368807881 447121904 /nfs/dbraw/zinc/12/19/04/447121904.db2.gz UNNUTPMHBGPAPJ-UWEBFBLFSA-N 1 0 341.371 1.875 20 5 EDBDRO O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CC[NH2+]1 ZINC000444157355 447081660 /nfs/dbraw/zinc/08/16/60/447081660.db2.gz OCUSIIMECGXBIR-SNVBAGLBSA-N 1 0 332.282 1.504 20 5 EDBDRO COC(=O)c1cn([C@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000368856982 447161724 /nfs/dbraw/zinc/16/17/24/447161724.db2.gz RQXOXCLYMOBTEL-AWEZNQCLSA-N 1 0 345.359 1.462 20 5 EDBDRO O=C1NCCN1[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372728784 447251792 /nfs/dbraw/zinc/25/17/92/447251792.db2.gz RVVVIFRHHSSFCO-HUUCEWRRSA-N 1 0 334.376 1.118 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000421713902 447230903 /nfs/dbraw/zinc/23/09/03/447230903.db2.gz UGBGUQVEMGTSBA-CYBMUJFWSA-N 1 0 349.387 1.461 20 5 EDBDRO O=C(C[NH2+][C@@H](CO)[C@H]1CCCO1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000447913531 447296075 /nfs/dbraw/zinc/29/60/75/447296075.db2.gz MLTMENCZFYPSBO-WCQYABFASA-N 1 0 343.767 1.316 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000390861095 447502843 /nfs/dbraw/zinc/50/28/43/447502843.db2.gz BOMYPOYWNQKJJB-CHWSQXEVSA-N 1 0 339.417 1.890 20 5 EDBDRO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CCC[N@@H+]1C ZINC000450547801 447521924 /nfs/dbraw/zinc/52/19/24/447521924.db2.gz PECSUBWVKWDJGE-TZMCWYRMSA-N 1 0 343.387 1.993 20 5 EDBDRO CCN(CC)S(=O)(=O)c1ccc(N(C)CC[NH2+]C)c([N+](=O)[O-])c1 ZINC000420226472 447678010 /nfs/dbraw/zinc/67/80/10/447678010.db2.gz LUQZYFFVLSOYEQ-UHFFFAOYSA-N 1 0 344.437 1.281 20 5 EDBDRO O=C(CCN1CCN(c2ncccc2[N+](=O)[O-])CC1)NC1CCCC1 ZINC000459497041 447687834 /nfs/dbraw/zinc/68/78/34/447687834.db2.gz QRAYSHHZHHHIQR-UHFFFAOYSA-N 1 0 347.419 1.561 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCN1CC[NH2+]CC1 ZINC000422697841 447719885 /nfs/dbraw/zinc/71/98/85/447719885.db2.gz WKQPFKTWYKZNOV-UHFFFAOYSA-N 1 0 334.420 1.545 20 5 EDBDRO C[NH+](C)CCn1ccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000429808313 447757700 /nfs/dbraw/zinc/75/77/00/447757700.db2.gz LXZAQKSRPCWJLV-UHFFFAOYSA-N 1 0 345.403 2.269 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000422841347 447766529 /nfs/dbraw/zinc/76/65/29/447766529.db2.gz CTMRQCHQSHLEAF-OCCSQVGLSA-N 1 0 348.403 1.219 20 5 EDBDRO C[C@@H](NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000422953562 447779679 /nfs/dbraw/zinc/77/96/79/447779679.db2.gz FQAFTYRHBVLKRG-GFCCVEGCSA-N 1 0 346.387 1.127 20 5 EDBDRO C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000525275484 447986327 /nfs/dbraw/zinc/98/63/27/447986327.db2.gz QFDZXOCMPIJFGX-CQSZACIVSA-N 1 0 348.359 1.055 20 5 EDBDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576172090 447991217 /nfs/dbraw/zinc/99/12/17/447991217.db2.gz CZWOPZVHRLPSGC-ZWNOBZJWSA-N 1 0 327.406 1.500 20 5 EDBDRO C[C@H]1C[C@@H]([NH3+])CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000576357688 448036994 /nfs/dbraw/zinc/03/69/94/448036994.db2.gz SFMBPLTVOXVFFP-ONGXEEELSA-N 1 0 326.784 1.998 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc3c(c2)OCCCO3)c1 ZINC000570837028 448072909 /nfs/dbraw/zinc/07/29/09/448072909.db2.gz NNZQVHRCCSQKSF-AWEZNQCLSA-N 1 0 348.359 1.103 20 5 EDBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000511610233 448152555 /nfs/dbraw/zinc/15/25/55/448152555.db2.gz LLXCNQHPRIKJDX-WDBKCZKBSA-N 1 0 337.376 1.776 20 5 EDBDRO CCC[C@@H](C)[C@H](CO)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000514792033 448204769 /nfs/dbraw/zinc/20/47/69/448204769.db2.gz GDNBDIPRYYAOAJ-DOMZBBRYSA-N 1 0 335.404 1.871 20 5 EDBDRO CNc1nccc(C(=O)NCCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000561156563 448233610 /nfs/dbraw/zinc/23/36/10/448233610.db2.gz OBXSVIUVXOCLPO-UHFFFAOYSA-N 1 0 349.435 2.273 20 5 EDBDRO CNc1nccc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000563547574 448306273 /nfs/dbraw/zinc/30/62/73/448306273.db2.gz WTVQGIIZBBUOOI-UHFFFAOYSA-N 1 0 343.387 2.388 20 5 EDBDRO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C2=O ZINC000577629863 448347573 /nfs/dbraw/zinc/34/75/73/448347573.db2.gz SHBZKQZZRBROLL-BLLLJJGKSA-N 1 0 332.360 1.534 20 5 EDBDRO C[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1CCO ZINC000591377839 448350152 /nfs/dbraw/zinc/35/01/52/448350152.db2.gz IKVZZWKRVUUXOV-LSDHHAIUSA-N 1 0 337.420 1.751 20 5 EDBDRO COc1ccc(NC(=O)CCN2CC[C@@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])c1 ZINC000591449303 448368198 /nfs/dbraw/zinc/36/81/98/448368198.db2.gz UTGBDQUXGIDRMA-SWLSCSKDSA-N 1 0 348.403 1.616 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1(C)CC[NH2+]CC1 ZINC000591450075 448368531 /nfs/dbraw/zinc/36/85/31/448368531.db2.gz NEYONWRZFBNPIX-UHFFFAOYSA-N 1 0 329.378 1.024 20 5 EDBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1ccco1 ZINC000564470961 448331347 /nfs/dbraw/zinc/33/13/47/448331347.db2.gz OAYWCDJUFDXURE-JQWIXIFHSA-N 1 0 347.375 2.024 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCOC[C@H]3CCCO3)C2)nc1 ZINC000533378607 448395569 /nfs/dbraw/zinc/39/55/69/448395569.db2.gz NAVZDUMPJTYHPG-DZGCQCFKSA-N 1 0 336.392 1.672 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)c1 ZINC000591734444 448476555 /nfs/dbraw/zinc/47/65/55/448476555.db2.gz YMXQMAQOZCSYJE-IXDOHACOSA-N 1 0 346.387 1.662 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CNC2CC([NH+]3CCCCC3)C2)c1 ZINC000591764000 448484718 /nfs/dbraw/zinc/48/47/18/448484718.db2.gz JITZWNNLSIFSJB-BDVYOWHSSA-N 1 0 349.431 1.941 20 5 EDBDRO Cc1ccc(C[C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000578316150 448513679 /nfs/dbraw/zinc/51/36/79/448513679.db2.gz OTTHHUPAXUUPKC-YOEHRIQHSA-N 1 0 332.404 1.990 20 5 EDBDRO COCC(C)(C)[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000591829774 448500327 /nfs/dbraw/zinc/50/03/27/448500327.db2.gz LHMINCJAHQNTNN-UHFFFAOYSA-N 1 0 338.408 1.216 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000536883452 448544659 /nfs/dbraw/zinc/54/46/59/448544659.db2.gz WPHCUORNLPXVJJ-CHWSQXEVSA-N 1 0 341.433 1.978 20 5 EDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC000591984891 448610717 /nfs/dbraw/zinc/61/07/17/448610717.db2.gz JRBDRMSOSDOQAV-LLVKDONJSA-N 1 0 344.375 1.094 20 5 EDBDRO COCC[NH2+]C1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000584724688 448610873 /nfs/dbraw/zinc/61/08/73/448610873.db2.gz JAHYRTLIOBQXIY-UHFFFAOYSA-N 1 0 336.392 1.505 20 5 EDBDRO CC(C)CN1CCCC[C@@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000578641172 448600706 /nfs/dbraw/zinc/60/07/06/448600706.db2.gz OXLKATSHXDZDJY-ZBFHGGJFSA-N 1 0 339.440 1.252 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000540901324 448652231 /nfs/dbraw/zinc/65/22/31/448652231.db2.gz PLYHHMXWOJQNTQ-GJZGRUSLSA-N 1 0 328.372 1.761 20 5 EDBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1(OCCO)CCOCC1 ZINC000584849754 448657403 /nfs/dbraw/zinc/65/74/03/448657403.db2.gz KNGZUBJKJYLAEX-HNNXBMFYSA-N 1 0 336.388 1.730 20 5 EDBDRO C[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000518315178 448663888 /nfs/dbraw/zinc/66/38/88/448663888.db2.gz ZBISMLXHBWGVJP-XJKSGUPXSA-N 1 0 335.404 1.661 20 5 EDBDRO C[NH+](C)C1CCC(NS(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000573472759 448636442 /nfs/dbraw/zinc/63/64/42/448636442.db2.gz XANLKJVASRKMMS-UHFFFAOYSA-N 1 0 328.394 1.141 20 5 EDBDRO CC[C@@H]([NH3+])C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000579000617 448691290 /nfs/dbraw/zinc/69/12/90/448691290.db2.gz KECIAGRCHZOWRO-SECBINFHSA-N 1 0 334.298 1.879 20 5 EDBDRO CNc1ccc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000518550256 448692393 /nfs/dbraw/zinc/69/23/93/448692393.db2.gz REDDFULLUGTQRD-GFCCVEGCSA-N 1 0 335.408 1.002 20 5 EDBDRO CC(C)Oc1nc(NCCC[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000579025162 448698590 /nfs/dbraw/zinc/69/85/90/448698590.db2.gz XYRBTMVEPJGIFA-UHFFFAOYSA-N 1 0 338.408 2.036 20 5 EDBDRO O=C(CC[C@@H]1CC[NH2+]C1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000567784213 448760444 /nfs/dbraw/zinc/76/04/44/448760444.db2.gz WEAVCBUFYKBXLW-LLVKDONJSA-N 1 0 329.360 2.313 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000592243735 448760702 /nfs/dbraw/zinc/76/07/02/448760702.db2.gz DHLRNAYUIOTTKW-MFKMUULPSA-N 1 0 333.344 1.190 20 5 EDBDRO CC(C)[C@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000592379134 448812671 /nfs/dbraw/zinc/81/26/71/448812671.db2.gz HOBHWAZJNZRDMV-CQSZACIVSA-N 1 0 341.433 1.397 20 5 EDBDRO CN(CCC[NH3+])S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000579353198 448775182 /nfs/dbraw/zinc/77/51/82/448775182.db2.gz VZFDBXIOLZGDAN-UHFFFAOYSA-N 1 0 341.311 1.583 20 5 EDBDRO COCCN1CC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000519564682 448787106 /nfs/dbraw/zinc/78/71/06/448787106.db2.gz ZUTKTOOSUPKPJU-AWEZNQCLSA-N 1 0 332.404 1.929 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000592383652 448817239 /nfs/dbraw/zinc/81/72/39/448817239.db2.gz WRUIICVACWYGHQ-ZJUUUORDSA-N 1 0 329.378 1.022 20 5 EDBDRO COC(=O)COc1ccc(CN2CC[C@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000592432788 448834548 /nfs/dbraw/zinc/83/45/48/448834548.db2.gz SNRGVCRPGBPEDF-KGLIPLIRSA-N 1 0 349.387 1.330 20 5 EDBDRO C[C@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC[N@@H+]1C ZINC000587985129 448850540 /nfs/dbraw/zinc/85/05/40/448850540.db2.gz WNLCQOIVXWROEG-WDEREUQCSA-N 1 0 333.392 1.680 20 5 EDBDRO CC[NH+](CC)CC1CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000568644389 448901302 /nfs/dbraw/zinc/90/13/02/448901302.db2.gz HORGWBGCYFGOPC-UHFFFAOYSA-N 1 0 349.435 2.226 20 5 EDBDRO CN(CC(=O)N[C@H]1CC[NH2+]C12CCCC2)c1ccccc1[N+](=O)[O-] ZINC000592569820 448905389 /nfs/dbraw/zinc/90/53/89/448905389.db2.gz FICDBTBODLTYOV-HNNXBMFYSA-N 1 0 332.404 1.822 20 5 EDBDRO CCC[NH2+]CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592540652 448888505 /nfs/dbraw/zinc/88/85/05/448888505.db2.gz DEKCJSBYRNITAW-UHFFFAOYSA-N 1 0 334.420 1.927 20 5 EDBDRO Cc1ccc([C@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000548085823 448981572 /nfs/dbraw/zinc/98/15/72/448981572.db2.gz OOZAPIXXVZFNIJ-AWEZNQCLSA-N 1 0 343.387 1.913 20 5 EDBDRO CNc1ccc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000548112519 448985158 /nfs/dbraw/zinc/98/51/58/448985158.db2.gz XIQRKTZBJXGDFJ-CYBMUJFWSA-N 1 0 349.435 1.392 20 5 EDBDRO CCOc1ccc([C@@H]2C[C@H]2[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000569232070 448985578 /nfs/dbraw/zinc/98/55/78/448985578.db2.gz HXMOIGHDEUOLLU-BHYGNILZSA-N 1 0 346.387 1.697 20 5 EDBDRO CCC(O)(CC)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569352518 449010240 /nfs/dbraw/zinc/01/02/40/449010240.db2.gz SQDHGSKDBFOPEP-UHFFFAOYSA-N 1 0 344.433 1.899 20 5 EDBDRO CCC(CC)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[NH+](C)C ZINC000593583078 449089634 /nfs/dbraw/zinc/08/96/34/449089634.db2.gz YYEMWZQWZWPLSJ-CYBMUJFWSA-N 1 0 344.437 1.635 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000590352498 449136115 /nfs/dbraw/zinc/13/61/15/449136115.db2.gz NTHDOQOJSSWGBI-ZDUSSCGKSA-N 1 0 334.376 1.317 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)c1 ZINC000593024987 449105760 /nfs/dbraw/zinc/10/57/60/449105760.db2.gz QJGYJCROUZGUMW-CHWSQXEVSA-N 1 0 335.360 1.515 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1[C@@H](C)O ZINC000595767517 449156109 /nfs/dbraw/zinc/15/61/09/449156109.db2.gz YFKHFBNQEXZTIY-BXUZGUMPSA-N 1 0 337.376 1.777 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000593168759 449157452 /nfs/dbraw/zinc/15/74/52/449157452.db2.gz UIURNQLGZQOKHL-CYBMUJFWSA-N 1 0 334.376 1.494 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000595780823 449161779 /nfs/dbraw/zinc/16/17/79/449161779.db2.gz ITWFWICYPXIMDI-COLVAYQJSA-N 1 0 349.387 1.824 20 5 EDBDRO O=C(C[NH2+][C@@H]1C[C@H](O)C12CCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595780792 449162573 /nfs/dbraw/zinc/16/25/73/449162573.db2.gz IHPJCKPOZQXREK-CABCVRRESA-N 1 0 331.372 1.377 20 5 EDBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)NCCC2CC[NH2+]CC2)cc1 ZINC000593732476 449168453 /nfs/dbraw/zinc/16/84/53/449168453.db2.gz OETUVYZVBRNRRG-UHFFFAOYSA-N 1 0 341.433 1.446 20 5 EDBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H](C)CCO)c([N+](=O)[O-])c1 ZINC000593108539 449138750 /nfs/dbraw/zinc/13/87/50/449138750.db2.gz XQUICDWUDMREIN-NSHDSACASA-N 1 0 325.365 1.635 20 5 EDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)C[C@H]21 ZINC000599989037 449139560 /nfs/dbraw/zinc/13/95/60/449139560.db2.gz SLBVSHPYZLWNJT-ZSHCYNCHSA-N 1 0 341.371 1.413 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@]1(O)CCOC1 ZINC000593671754 449141339 /nfs/dbraw/zinc/14/13/39/449141339.db2.gz STLJOYVJJYKRKG-BLLLJJGKSA-N 1 0 337.376 1.443 20 5 EDBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000590388840 449143927 /nfs/dbraw/zinc/14/39/27/449143927.db2.gz ONSRFHHXKFTQPI-ZDUSSCGKSA-N 1 0 333.388 1.920 20 5 EDBDRO C[C@H](CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000597994527 449179486 /nfs/dbraw/zinc/17/94/86/449179486.db2.gz ZOPBBOOZFRMXMR-SNVBAGLBSA-N 1 0 332.360 1.919 20 5 EDBDRO C[C@@H](CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000597994525 449179853 /nfs/dbraw/zinc/17/98/53/449179853.db2.gz ZOPBBOOZFRMXMR-JTQLQIEISA-N 1 0 332.360 1.919 20 5 EDBDRO Nc1n[nH]c(C2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000590602208 449215330 /nfs/dbraw/zinc/21/53/30/449215330.db2.gz UHIYZJZPODYXRM-UHFFFAOYSA-N 1 0 332.364 1.554 20 5 EDBDRO CC(C)[N@H+](C)C[C@@H](O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000590604830 449219145 /nfs/dbraw/zinc/21/91/45/449219145.db2.gz PSMHHOODQPVRCN-OAHLLOKOSA-N 1 0 336.436 1.418 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)n1 ZINC000600230017 449255744 /nfs/dbraw/zinc/25/57/44/449255744.db2.gz OCRFPEFOEDCYNH-ZDUSSCGKSA-N 1 0 335.408 1.948 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601975168 449256191 /nfs/dbraw/zinc/25/61/91/449256191.db2.gz LZHRZYFFVDGKMH-SMDDNHRTSA-N 1 0 346.330 1.691 20 5 EDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cc3c(cc1[N+](=O)[O-])OCO3)C2 ZINC000601973990 449256595 /nfs/dbraw/zinc/25/65/95/449256595.db2.gz GHGRVFIEXWLPOW-IYBDPMFKSA-N 1 0 333.344 1.395 20 5 EDBDRO C[C@]1(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000593878753 449257603 /nfs/dbraw/zinc/25/76/03/449257603.db2.gz KUOCSWCOKUZOCU-INIZCTEOSA-N 1 0 329.360 1.712 20 5 EDBDRO Cc1c(CNC(=O)c2cnnn2C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000595929302 449259689 /nfs/dbraw/zinc/25/96/89/449259689.db2.gz QRMKADCDMJGRGM-UHFFFAOYSA-N 1 0 344.375 1.349 20 5 EDBDRO C[C@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1CC[NH3+] ZINC000593933799 449295480 /nfs/dbraw/zinc/29/54/80/449295480.db2.gz DWQHCVMPELYXOD-JQWIXIFHSA-N 1 0 335.360 1.913 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598220436 449297369 /nfs/dbraw/zinc/29/73/69/449297369.db2.gz PDOAMDOPLCUWBH-ZDUSSCGKSA-N 1 0 348.403 1.280 20 5 EDBDRO C[C@@]1(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC[NH2+]C1 ZINC000595990978 449300391 /nfs/dbraw/zinc/30/03/91/449300391.db2.gz FCCOKWHILGNPDK-MRXNPFEDSA-N 1 0 348.359 1.151 20 5 EDBDRO C[C@]1(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC000595992954 449301654 /nfs/dbraw/zinc/30/16/54/449301654.db2.gz UTNBBPHSXLULGJ-AWEZNQCLSA-N 1 0 327.768 1.885 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000602071716 449321673 /nfs/dbraw/zinc/32/16/73/449321673.db2.gz FAUVZKVWEQRVDI-DZGCQCFKSA-N 1 0 335.360 1.083 20 5 EDBDRO CCC[NH2+]CCNC(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 ZINC000593905363 449275791 /nfs/dbraw/zinc/27/57/91/449275791.db2.gz DGMXJKQFODILEH-UHFFFAOYSA-N 1 0 345.403 1.877 20 5 EDBDRO CCOc1cc(N2CCN(CC34CC(C3)C[NH2+]4)CC2)ccc1[N+](=O)[O-] ZINC000602022190 449280512 /nfs/dbraw/zinc/28/05/12/449280512.db2.gz RFCQYHUMUWYNMK-UHFFFAOYSA-N 1 0 346.431 1.868 20 5 EDBDRO CCO[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C[NH3+] ZINC000593916133 449283663 /nfs/dbraw/zinc/28/36/63/449283663.db2.gz CIOKFUDKHLGJHE-IAQYHMDHSA-N 1 0 333.344 1.777 20 5 EDBDRO CCO[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000593916437 449284479 /nfs/dbraw/zinc/28/44/79/449284479.db2.gz KBZLIUDTJYENLM-IUODEOHRSA-N 1 0 335.404 1.695 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000594102689 449355554 /nfs/dbraw/zinc/35/55/54/449355554.db2.gz PUTJSUWWCLFLTE-XBXGTLAGSA-N 1 0 343.387 1.851 20 5 EDBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596099687 449360499 /nfs/dbraw/zinc/36/04/99/449360499.db2.gz VYLPYFHVXGSYBJ-KBPBESRZSA-N 1 0 349.435 1.690 20 5 EDBDRO C[C@]1(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]C1 ZINC000596128312 449378443 /nfs/dbraw/zinc/37/84/43/449378443.db2.gz HLZSJOXMPYVWCI-ZDUSSCGKSA-N 1 0 326.740 1.055 20 5 EDBDRO C[C@@H](C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000598450911 449400294 /nfs/dbraw/zinc/40/02/94/449400294.db2.gz JZLWSXAEIDFWKV-CXAGYDPISA-N 1 0 347.415 1.756 20 5 EDBDRO CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000600623780 449464697 /nfs/dbraw/zinc/46/46/97/449464697.db2.gz RGJDJSSBFJQSJX-HZSPNIEDSA-N 1 0 336.392 1.305 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000596307888 449468043 /nfs/dbraw/zinc/46/80/43/449468043.db2.gz QDITVFHNAGIWPX-SNVBAGLBSA-N 1 0 342.421 1.527 20 5 EDBDRO O=C(CC[C@H]1CCC[NH2+]C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000598664648 449526991 /nfs/dbraw/zinc/52/69/91/449526991.db2.gz ILJOLPUYXYOXOF-CYBMUJFWSA-N 1 0 335.408 1.735 20 5 EDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598664568 449527137 /nfs/dbraw/zinc/52/71/37/449527137.db2.gz GMYMCSKXMRLLPB-QWRGUYRKSA-N 1 0 335.364 1.102 20 5 EDBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598665464 449528072 /nfs/dbraw/zinc/52/80/72/449528072.db2.gz WWVZEESFFOMTOL-SMDDNHRTSA-N 1 0 349.391 1.350 20 5 EDBDRO COc1ccc(OCCN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC000600742089 449528490 /nfs/dbraw/zinc/52/84/90/449528490.db2.gz AAVZQIMAMFHQSY-CALCHBBNSA-N 1 0 335.404 1.914 20 5 EDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cc([N+](=O)[O-])cc3c1OCCO3)C2 ZINC000598668584 449530872 /nfs/dbraw/zinc/53/08/72/449530872.db2.gz ATOJZAUEMTWTKT-QFYYESIMSA-N 1 0 333.344 1.319 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(C(F)(F)F)CCCC2)c1 ZINC000600761443 449539052 /nfs/dbraw/zinc/53/90/52/449539052.db2.gz ZESYVTAMNRUSBX-NSHDSACASA-N 1 0 336.314 1.865 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(C(F)(F)F)CCCC2)c1 ZINC000600761441 449539106 /nfs/dbraw/zinc/53/91/06/449539106.db2.gz ZESYVTAMNRUSBX-LLVKDONJSA-N 1 0 336.314 1.865 20 5 EDBDRO O=C(c1ccc(-c2cc([N+](=O)[O-])ccc2CO)cc1)N1CC[NH2+]CC1 ZINC000600782115 449546009 /nfs/dbraw/zinc/54/60/09/449546009.db2.gz JZMDZHRMXCOMID-UHFFFAOYSA-N 1 0 341.367 1.800 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594482712 449547643 /nfs/dbraw/zinc/54/76/43/449547643.db2.gz CTFRSEYAWDSGIN-QWHCGFSZSA-N 1 0 339.417 1.890 20 5 EDBDRO CN(CCC[NH+](C)C)CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000596425835 449497227 /nfs/dbraw/zinc/49/72/27/449497227.db2.gz WMDBABKHRAVXEY-UHFFFAOYSA-N 1 0 349.435 1.775 20 5 EDBDRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C2 ZINC000598725776 449565234 /nfs/dbraw/zinc/56/52/34/449565234.db2.gz PGMSILSCTGRHIH-OCCSQVGLSA-N 1 0 325.390 1.238 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598726720 449566153 /nfs/dbraw/zinc/56/61/53/449566153.db2.gz VCCHTXMAKIXGLK-SWLSCSKDSA-N 1 0 339.417 1.714 20 5 EDBDRO Cn1cc(CN2CC[NH+](CCc3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC000602432153 449581289 /nfs/dbraw/zinc/58/12/89/449581289.db2.gz WLHDEPMUZDRTKK-UHFFFAOYSA-N 1 0 329.404 1.689 20 5 EDBDRO CO[C@@](C)(CO)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000594507481 449558161 /nfs/dbraw/zinc/55/81/61/449558161.db2.gz DCTOXVZJQRGRJS-XHDPSFHLSA-N 1 0 325.365 1.299 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598716227 449559585 /nfs/dbraw/zinc/55/95/85/449559585.db2.gz BYYFUYYSMMZXIE-NEPJUHHUSA-N 1 0 327.406 1.760 20 5 EDBDRO C[C@@H]1C[NH+](C[C@H]2CCCN2Cc2cn(C)nc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000602456193 449603505 /nfs/dbraw/zinc/60/35/05/449603505.db2.gz VIHMPELZSZMSIH-UMVBOHGHSA-N 1 0 337.424 1.402 20 5 EDBDRO CC(C)N1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1=O ZINC000602555436 449671292 /nfs/dbraw/zinc/67/12/92/449671292.db2.gz QWEZBTYUVQWCQJ-OAHLLOKOSA-N 1 0 347.419 1.558 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000614539169 449677307 /nfs/dbraw/zinc/67/73/07/449677307.db2.gz ABFIJXYLJOJWKS-VIFPVBQESA-N 1 0 347.368 1.115 20 5 EDBDRO CC[C@@H]1[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC[N@@H+]1C ZINC000600995121 449639982 /nfs/dbraw/zinc/63/99/82/449639982.db2.gz LGDRSWPUDVCEHZ-LSDHHAIUSA-N 1 0 347.419 1.369 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000598913257 449644421 /nfs/dbraw/zinc/64/44/21/449644421.db2.gz HAAIOVGLZLTZMJ-GFCCVEGCSA-N 1 0 334.376 1.814 20 5 EDBDRO CC(C)(C)N1CC[C@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000594718544 449644813 /nfs/dbraw/zinc/64/48/13/449644813.db2.gz SFDABPCCSQXPHK-GJZGRUSLSA-N 1 0 337.420 1.797 20 5 EDBDRO CO[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000594718000 449645224 /nfs/dbraw/zinc/64/52/24/449645224.db2.gz JWNJXVDWSMWLEU-IUODEOHRSA-N 1 0 337.376 1.565 20 5 EDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000598915944 449645872 /nfs/dbraw/zinc/64/58/72/449645872.db2.gz RAJCOZGUSGZZOA-GFCCVEGCSA-N 1 0 337.355 1.245 20 5 EDBDRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000599106772 449739572 /nfs/dbraw/zinc/73/95/72/449739572.db2.gz IJHDPOBLSNQKSE-UHFFFAOYSA-N 1 0 345.421 1.068 20 5 EDBDRO CN(Cc1ncccn1)[C@H]1CCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601151038 449718328 /nfs/dbraw/zinc/71/83/28/449718328.db2.gz MTXUGLWNEIYRSS-LBPRGKRZSA-N 1 0 332.339 1.630 20 5 EDBDRO C[NH+](C)CCOC1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601164376 449728108 /nfs/dbraw/zinc/72/81/08/449728108.db2.gz SZQIZHPSQAHLGO-UHFFFAOYSA-N 1 0 339.367 1.917 20 5 EDBDRO COc1ccc(CSCC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1[N+](=O)[O-] ZINC000602589363 449690010 /nfs/dbraw/zinc/69/00/10/449690010.db2.gz VFFQRIDPXUHSFF-RYUDHWBXSA-N 1 0 337.401 1.409 20 5 EDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602595330 449694112 /nfs/dbraw/zinc/69/41/12/449694112.db2.gz HRLAYHADKBEETF-MWLCHTKSSA-N 1 0 327.768 1.965 20 5 EDBDRO C[C@@H](Cc1cnn(C)c1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602684327 449748329 /nfs/dbraw/zinc/74/83/29/449748329.db2.gz OMWGCVAVKQOUME-ZDUSSCGKSA-N 1 0 344.419 1.913 20 5 EDBDRO C[C@]12C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000602731261 449772361 /nfs/dbraw/zinc/77/23/61/449772361.db2.gz LZMZNDJWYIHPRM-VWEWPCDYSA-N 1 0 329.356 1.593 20 5 EDBDRO C[NH+](C)CCOCCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597095716 449810282 /nfs/dbraw/zinc/81/02/82/449810282.db2.gz FSROSKYRRANOAO-UHFFFAOYSA-N 1 0 345.787 1.530 20 5 EDBDRO CCC[C@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000602796608 449816400 /nfs/dbraw/zinc/81/64/00/449816400.db2.gz DHJCVQWWZWGCCD-HNNXBMFYSA-N 1 0 339.440 1.532 20 5 EDBDRO COc1ccc(NC(=O)CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000601333834 449842289 /nfs/dbraw/zinc/84/22/89/449842289.db2.gz GRTGSSCIVVEPAA-DOMZBBRYSA-N 1 0 348.403 1.616 20 5 EDBDRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000595071750 449855594 /nfs/dbraw/zinc/85/55/94/449855594.db2.gz DJIWJOVLLIOFGT-ZDUSSCGKSA-N 1 0 348.403 1.831 20 5 EDBDRO CC1(C)CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CCN1CCO ZINC000614895159 449864818 /nfs/dbraw/zinc/86/48/18/449864818.db2.gz PGCZHGKOROXEKS-UHFFFAOYSA-N 1 0 325.340 1.263 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000601357088 449870426 /nfs/dbraw/zinc/87/04/26/449870426.db2.gz LFVFTXCYMKFPCK-PSASIEDQSA-N 1 0 333.435 1.726 20 5 EDBDRO COC(=O)COc1ccc(CN2CC[C@@]3(O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000597210487 449873520 /nfs/dbraw/zinc/87/35/20/449873520.db2.gz HLJBUVCSCFMKEN-BLLLJJGKSA-N 1 0 336.344 1.103 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000595109394 449874438 /nfs/dbraw/zinc/87/44/38/449874438.db2.gz FCGOXAVFJWWNLL-NEPJUHHUSA-N 1 0 340.405 1.000 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000595125176 449884413 /nfs/dbraw/zinc/88/44/13/449884413.db2.gz KAYSGRRCFLHFGO-LLVKDONJSA-N 1 0 336.392 1.552 20 5 EDBDRO CCN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000595132243 449890856 /nfs/dbraw/zinc/89/08/56/449890856.db2.gz VTKIEOSNPIOLDV-CQSZACIVSA-N 1 0 348.403 1.784 20 5 EDBDRO COC[C@](C)(CO)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000602933860 449934276 /nfs/dbraw/zinc/93/42/76/449934276.db2.gz YTWQDMWMXNBCSR-LBPRGKRZSA-N 1 0 333.182 1.844 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000601422810 449941640 /nfs/dbraw/zinc/94/16/40/449941640.db2.gz ZVWGDJCMAYCLTF-OLZOCXBDSA-N 1 0 341.433 1.925 20 5 EDBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000601427711 449948123 /nfs/dbraw/zinc/94/81/23/449948123.db2.gz FDASXCYSWRZKOS-UHFFFAOYSA-N 1 0 328.394 1.095 20 5 EDBDRO Cn1cc(CN2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)c([N+](=O)[O-])n1 ZINC000602905142 449910258 /nfs/dbraw/zinc/91/02/58/449910258.db2.gz BQZXCMXNCQQWKP-AWEZNQCLSA-N 1 0 337.424 1.404 20 5 EDBDRO CC[NH+](CC)CCOCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601436878 449959168 /nfs/dbraw/zinc/95/91/68/449959168.db2.gz OSFDGCALTAUCJQ-UHFFFAOYSA-N 1 0 327.356 1.822 20 5 EDBDRO C[C@@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1[NH3+] ZINC000595228764 449959424 /nfs/dbraw/zinc/95/94/24/449959424.db2.gz KUNZOQPLLSTIEX-RISCZKNCSA-N 1 0 329.360 1.590 20 5 EDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000602960166 449960297 /nfs/dbraw/zinc/96/02/97/449960297.db2.gz JQVMAEZZDGAVTQ-CHWSQXEVSA-N 1 0 333.392 1.811 20 5 EDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595230403 449960591 /nfs/dbraw/zinc/96/05/91/449960591.db2.gz GKTURZDUKFDDPG-UKRRQHHQSA-N 1 0 341.371 1.679 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000595353684 450067742 /nfs/dbraw/zinc/06/77/42/450067742.db2.gz JOQCNTXQTBCDSJ-CYBMUJFWSA-N 1 0 327.406 1.499 20 5 EDBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000601503702 450026206 /nfs/dbraw/zinc/02/62/06/450026206.db2.gz MXPPJQYZRQTMEL-UHFFFAOYSA-N 1 0 342.421 1.485 20 5 EDBDRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000595345962 450058788 /nfs/dbraw/zinc/05/87/88/450058788.db2.gz RERJPMZGRWIRGJ-GFCCVEGCSA-N 1 0 345.396 1.839 20 5 EDBDRO CCC[C@@H]1CN(Cc2onc(C)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000595403869 450116435 /nfs/dbraw/zinc/11/64/35/450116435.db2.gz JSRGFQAPQNDEME-CYBMUJFWSA-N 1 0 326.397 1.824 20 5 EDBDRO CCC[C@H]1CN(Cc2onc(C)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000595403870 450116908 /nfs/dbraw/zinc/11/69/08/450116908.db2.gz JSRGFQAPQNDEME-ZDUSSCGKSA-N 1 0 326.397 1.824 20 5 EDBDRO COc1ccc(C[NH+]2CCC(c3nc(N)n[nH]3)CC2)cc1[N+](=O)[O-] ZINC000595488325 450178994 /nfs/dbraw/zinc/17/89/94/450178994.db2.gz KZHKJLRWGZBILX-UHFFFAOYSA-N 1 0 332.364 1.683 20 5 EDBDRO CC1([NH+]2CCOCC2)CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000599765660 450204690 /nfs/dbraw/zinc/20/46/90/450204690.db2.gz FXHFSVXIQGZMNA-UHFFFAOYSA-N 1 0 349.391 1.130 20 5 EDBDRO C[NH+](C)CC1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000597706773 450210634 /nfs/dbraw/zinc/21/06/34/450210634.db2.gz ZOIKOAJJMHSLNT-UHFFFAOYSA-N 1 0 329.360 1.414 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)NS(C)(=O)=O ZINC000615724124 450212838 /nfs/dbraw/zinc/21/28/38/450212838.db2.gz MKTFMXRRAJIZOI-XYOKQWHBSA-N 1 0 341.433 1.916 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000610426338 450213559 /nfs/dbraw/zinc/21/35/59/450213559.db2.gz XZXJYUXGVFJEAV-NWDGAFQWSA-N 1 0 338.412 1.038 20 5 EDBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000610431933 450216086 /nfs/dbraw/zinc/21/60/86/450216086.db2.gz OKGUYXHUNRTSEI-GFCCVEGCSA-N 1 0 334.376 1.499 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000610291367 450183691 /nfs/dbraw/zinc/18/36/91/450183691.db2.gz WITMPILALBIVOZ-AWEZNQCLSA-N 1 0 334.420 1.878 20 5 EDBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000610335640 450194963 /nfs/dbraw/zinc/19/49/63/450194963.db2.gz HYRVHMGAZZQYFZ-DOMZBBRYSA-N 1 0 334.376 1.902 20 5 EDBDRO C[C@](CO)(NC(=O)[C@H](C1CC1)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000601779386 450234739 /nfs/dbraw/zinc/23/47/39/450234739.db2.gz QYDOCNYGYDVVMK-FUHWJXTLSA-N 1 0 347.415 1.793 20 5 EDBDRO CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595567707 450239387 /nfs/dbraw/zinc/23/93/87/450239387.db2.gz MOEJRPVOKDFFES-LLVKDONJSA-N 1 0 336.270 1.392 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCc3ncnn3C2)n1 ZINC000618571756 450249025 /nfs/dbraw/zinc/24/90/25/450249025.db2.gz WHMJJULUGMEVCS-RWMBFGLXSA-N 1 0 331.380 1.471 20 5 EDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2nnc3n2CCOC3)n1 ZINC000618577719 450250828 /nfs/dbraw/zinc/25/08/28/450250828.db2.gz COCNSGCKNWXBHN-NEPJUHHUSA-N 1 0 347.379 1.187 20 5 EDBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[NH+]2CCC1CC2 ZINC000615880148 450265166 /nfs/dbraw/zinc/26/51/66/450265166.db2.gz JZZQNGSGPIFRNY-UHFFFAOYSA-N 1 0 328.372 1.856 20 5 EDBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910133 450375721 /nfs/dbraw/zinc/37/57/21/450375721.db2.gz JWEUHTKGKKWPGU-WCFLWFBJSA-N 1 0 329.360 1.857 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC[N@H+](C)C1CC1 ZINC000619497312 450492517 /nfs/dbraw/zinc/49/25/17/450492517.db2.gz GQBACCPUHVVQPI-UHFFFAOYSA-N 1 0 343.405 1.318 20 5 EDBDRO C[C@H]1C[NH+](CCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000132377674 533940418 /nfs/dbraw/zinc/94/04/18/533940418.db2.gz SIKRZAFTKBVYHS-RYUDHWBXSA-N 1 0 339.367 1.963 20 5 EDBDRO CCC(CC)(C[NH3+])NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000154412876 528655851 /nfs/dbraw/zinc/65/58/51/528655851.db2.gz MIMHCFYWMJHUBZ-UHFFFAOYSA-N 1 0 332.364 1.423 20 5 EDBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000171853098 528834719 /nfs/dbraw/zinc/83/47/19/528834719.db2.gz QZEMXSQGWYPSAQ-UHFFFAOYSA-N 1 0 345.403 1.948 20 5 EDBDRO CC[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000181683593 529180024 /nfs/dbraw/zinc/18/00/24/529180024.db2.gz VOGHOORKJHISRD-IUODEOHRSA-N 1 0 341.433 1.917 20 5 EDBDRO CC1(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC000262365720 535159279 /nfs/dbraw/zinc/15/92/79/535159279.db2.gz WYGXBSWIXOPPJN-UHFFFAOYSA-N 1 0 327.406 1.800 20 5 EDBDRO CC(C)[C@@](C)(CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000352895705 535311277 /nfs/dbraw/zinc/31/12/77/535311277.db2.gz WCUHWTWGHNLQHY-CQSZACIVSA-N 1 0 330.406 1.365 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000332653180 535536682 /nfs/dbraw/zinc/53/66/82/535536682.db2.gz ZWOXZUOLHJUCLE-LLVKDONJSA-N 1 0 335.360 1.580 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000069126518 535561127 /nfs/dbraw/zinc/56/11/27/535561127.db2.gz MGYGPLNDDBKEQI-GFCCVEGCSA-N 1 0 337.376 1.583 20 5 EDBDRO C[N@@H+]1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000248082725 536454784 /nfs/dbraw/zinc/45/47/84/536454784.db2.gz SDIULMZODGFRPN-GDBMZVCRSA-N 1 0 329.360 1.353 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@]2(C)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000353208104 536477312 /nfs/dbraw/zinc/47/73/12/536477312.db2.gz JSLUTDXLKFXFOL-MEDUHNTESA-N 1 0 338.360 1.804 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000727703378 578537856 /nfs/dbraw/zinc/53/78/56/578537856.db2.gz OXADHSQWWAJYDL-AWEZNQCLSA-N 1 0 338.433 1.992 20 5 EDBDRO C[C@H](NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000729497270 578577892 /nfs/dbraw/zinc/57/78/92/578577892.db2.gz PYZKETXZIXDDIL-MAZHCROVSA-N 1 0 348.403 1.818 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCCN2CCCS2(=O)=O)c1 ZINC000729684493 578587297 /nfs/dbraw/zinc/58/72/97/578587297.db2.gz WGGHNCFNPLZCEA-UHFFFAOYSA-N 1 0 347.824 1.763 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCC[N@H+](C)C1CC1 ZINC000732567201 578718552 /nfs/dbraw/zinc/71/85/52/578718552.db2.gz FAAWHNCRTMJNKU-UHFFFAOYSA-N 1 0 338.320 1.796 20 5 EDBDRO CC[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC000736349733 578981339 /nfs/dbraw/zinc/98/13/39/578981339.db2.gz JVABXVCYUNFEGC-JTQLQIEISA-N 1 0 332.368 1.456 20 5 EDBDRO C[NH+](C)CC1CCN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000738077325 579157587 /nfs/dbraw/zinc/15/75/87/579157587.db2.gz SHUSMNBGSOVKSF-UHFFFAOYSA-N 1 0 346.387 1.422 20 5 EDBDRO C/C(=C/C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000751746316 579820158 /nfs/dbraw/zinc/82/01/58/579820158.db2.gz RSTYCIAUIKYZDS-ZOHQOTHLSA-N 1 0 345.399 1.978 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[N@@H+]1C1CC1 ZINC000753707480 579885413 /nfs/dbraw/zinc/88/54/13/579885413.db2.gz PXPRIYASPXLPFU-YPMHNXCESA-N 1 0 343.387 1.686 20 5 EDBDRO CCN(CC)C(=O)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000765335660 580140134 /nfs/dbraw/zinc/14/01/34/580140134.db2.gz WSZGNGAPMCSSEY-LBPRGKRZSA-N 1 0 336.392 1.770 20 5 EDBDRO CC[S@](=O)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765948783 580154512 /nfs/dbraw/zinc/15/45/12/580154512.db2.gz BSAFEVWENDAZFJ-QFIPXVFZSA-N 1 0 325.434 1.922 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000766807856 580174387 /nfs/dbraw/zinc/17/43/87/580174387.db2.gz RSUBPSBDHHSMQH-UHFFFAOYSA-N 1 0 345.403 1.575 20 5 EDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cs1 ZINC000768807145 580220830 /nfs/dbraw/zinc/22/08/30/580220830.db2.gz JCUCSHAOCGCHCP-WDEREUQCSA-N 1 0 331.419 1.561 20 5 EDBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000770174050 580255077 /nfs/dbraw/zinc/25/50/77/580255077.db2.gz QYAJMCSKQRHKMM-LBPRGKRZSA-N 1 0 338.383 1.490 20 5 EDBDRO C[C@@H]([NH2+][C@@H](CO)C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000771815461 580295321 /nfs/dbraw/zinc/29/53/21/580295321.db2.gz VBBMSAMJLJYMJQ-OQPBUACISA-N 1 0 327.768 1.936 20 5 EDBDRO C[NH+](C)C(C)(C)CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781567650 580552575 /nfs/dbraw/zinc/55/25/75/580552575.db2.gz BFROXEHNIINFBR-UHFFFAOYSA-N 1 0 338.364 1.892 20 5 EDBDRO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CN1CC[C@]2(C1)CCCOC2 ZINC000789538387 580748852 /nfs/dbraw/zinc/74/88/52/580748852.db2.gz AVDHRPLTFKLXMS-KRWDZBQOSA-N 1 0 345.355 1.651 20 5 EDBDRO C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC(c3ccccc3[N+](=O)[O-])=NO1)C2 ZINC000791249051 580787310 /nfs/dbraw/zinc/78/73/10/580787310.db2.gz MGEQAPFAPZMCCQ-OAHLLOKOSA-N 1 0 344.371 1.252 20 5 EDBDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C[C@@H]21 ZINC000794992544 580910389 /nfs/dbraw/zinc/91/03/89/580910389.db2.gz WQXWSUZNBIVKAS-ATCWAGBWSA-N 1 0 347.371 1.583 20 5 EDBDRO COCC[N@H+](C)CCCC1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000893056721 590639295 /nfs/dbraw/zinc/63/92/95/590639295.db2.gz PTJSUBPQBANUQG-UHFFFAOYSA-N 1 0 339.440 1.903 20 5 EDBDRO CC[NH+]1CCN(CCCNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000895715053 591259052 /nfs/dbraw/zinc/25/90/52/591259052.db2.gz MIDRJFCWPLMLET-UHFFFAOYSA-N 1 0 348.447 1.969 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H](O)Cc3ccc(F)cc3)C2)c1 ZINC000895752812 591266033 /nfs/dbraw/zinc/26/60/33/591266033.db2.gz LZQHAXPCIVYBMP-XUJLQICISA-N 1 0 334.351 1.827 20 5 EDBDRO Cn1c2ccccc2c(N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c([N+](=O)[O-])c1=O ZINC000894373743 591294071 /nfs/dbraw/zinc/29/40/71/591294071.db2.gz XWUWTDIXRRBPMG-OLZOCXBDSA-N 1 0 342.399 1.835 20 5 EDBDRO COC(=O)c1cc(C)nc(N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000894802886 591422220 /nfs/dbraw/zinc/42/22/20/591422220.db2.gz SDOWASCRHPPYLR-IRXDYDNUSA-N 1 0 348.403 1.863 20 5 EDBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCN(CC(F)F)C2)c1[N+](=O)[O-] ZINC000894967498 591501772 /nfs/dbraw/zinc/50/17/72/591501772.db2.gz TTYBGDASJJGPHV-SNVBAGLBSA-N 1 0 331.319 1.738 20 5 EDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000896574096 591534025 /nfs/dbraw/zinc/53/40/25/591534025.db2.gz XDZUQVYACQXSOI-QMTHXVAHSA-N 1 0 340.811 1.612 20 5 EDBDRO COc1c(O)ccc(C[NH2+]C[C@@]2(OC)CCSC2)c1[N+](=O)[O-] ZINC000896576035 591540119 /nfs/dbraw/zinc/54/01/19/591540119.db2.gz XCHSXSLPZZUQSO-AWEZNQCLSA-N 1 0 328.390 1.921 20 5 EDBDRO Cc1cc(N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000896908489 591673609 /nfs/dbraw/zinc/67/36/09/591673609.db2.gz COUGUHKIEGWPBA-TXEJJXNPSA-N 1 0 347.396 1.932 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@]1(OCCO)CCOC1 ZINC000895338599 591719632 /nfs/dbraw/zinc/71/96/32/591719632.db2.gz SPCHDOQOZUMBBD-CQSZACIVSA-N 1 0 330.768 1.506 20 5 EDBDRO COc1cc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(F)cc1[N+](=O)[O-] ZINC000897221079 591775715 /nfs/dbraw/zinc/77/57/15/591775715.db2.gz GVRZZYXWOZUGPH-QWHCGFSZSA-N 1 0 339.367 1.778 20 5 EDBDRO CC(=O)c1ccc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])c1 ZINC000897221399 591776724 /nfs/dbraw/zinc/77/67/24/591776724.db2.gz MOHQLRNRPVPZKM-HUUCEWRRSA-N 1 0 333.388 1.833 20 5 EDBDRO C[N@H+](CCO)CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000899734839 591925219 /nfs/dbraw/zinc/92/52/19/591925219.db2.gz UOPCSIUANLVNJP-UHFFFAOYSA-N 1 0 346.181 1.011 20 5 EDBDRO [NH3+][C@@]1(CO)CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000900375444 592000670 /nfs/dbraw/zinc/00/06/70/592000670.db2.gz OZIQFQFWQHAYJI-LBPRGKRZSA-N 1 0 330.182 1.647 20 5 EDBDRO O=[N+]([O-])c1ccc2cnn(CN3CC[C@@H]4[C@H]3CCC[N@H+]4CCO)c2c1 ZINC000902643839 592034741 /nfs/dbraw/zinc/03/47/41/592034741.db2.gz MOSOKGLZRZJHJR-HZPDHXFCSA-N 1 0 345.403 1.433 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCN2CCCOCC2)n1 ZINC000903227719 592143494 /nfs/dbraw/zinc/14/34/94/592143494.db2.gz NFRZYMCJXNTPBT-HUUCEWRRSA-N 1 0 337.424 1.587 20 5 EDBDRO C[C@H]1CN(C)C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)O1 ZINC000904500614 592272404 /nfs/dbraw/zinc/27/24/04/592272404.db2.gz OIYBUMFXWPWHAD-HZMBPMFUSA-N 1 0 330.344 1.801 20 5 EDBDRO CCOC(=O)c1ccnc(N2CC[NH2+]CCC23CCC3)c1[N+](=O)[O-] ZINC000905660407 592599494 /nfs/dbraw/zinc/59/94/94/592599494.db2.gz PTTPFRDYNGZBAC-UHFFFAOYSA-N 1 0 334.376 1.889 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905897168 592671185 /nfs/dbraw/zinc/67/11/85/592671185.db2.gz CLFDRJNCFVWRJD-ZFWWWQNUSA-N 1 0 344.795 1.582 20 5 EDBDRO CCO[C@H](CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000906373529 592801285 /nfs/dbraw/zinc/80/12/85/592801285.db2.gz WPLPGNQTMMUYCP-SECBINFHSA-N 1 0 331.319 1.570 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000910283909 592820874 /nfs/dbraw/zinc/82/08/74/592820874.db2.gz KALXZZLGXAERCM-CYBMUJFWSA-N 1 0 349.387 1.729 20 5 EDBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000911737779 592993279 /nfs/dbraw/zinc/99/32/79/592993279.db2.gz YMYPTDYMUFGLSX-NSHDSACASA-N 1 0 335.360 1.580 20 5 EDBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000911774458 593002645 /nfs/dbraw/zinc/00/26/45/593002645.db2.gz IMZHWRVKHNILBV-UHFFFAOYSA-N 1 0 338.433 1.294 20 5 EDBDRO CN(CC[N@H+](C)CCO)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000912598869 593107359 /nfs/dbraw/zinc/10/73/59/593107359.db2.gz IRGIASDWVVUBLG-UHFFFAOYSA-N 1 0 349.309 1.610 20 5 EDBDRO O=C([C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000805809933 593146553 /nfs/dbraw/zinc/14/65/53/593146553.db2.gz ABLNXWLPLKFMOU-GOEBONIOSA-N 1 0 333.388 1.573 20 5 EDBDRO CC(C)[N@@H+]1CCO[C@H](COC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000802140540 593222991 /nfs/dbraw/zinc/22/29/91/593222991.db2.gz PJZMBEAXKVORNJ-ZDUSSCGKSA-N 1 0 340.380 1.179 20 5 EDBDRO CC[N@H+](CCNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)C(C)C ZINC000811799091 593482680 /nfs/dbraw/zinc/48/26/80/593482680.db2.gz QJTBTMPXKLRDEH-UHFFFAOYSA-N 1 0 335.408 1.927 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000816953589 593563235 /nfs/dbraw/zinc/56/32/35/593563235.db2.gz JYCOWTZEHXAEKE-QPUJVOFHSA-N 1 0 333.373 1.376 20 5 EDBDRO [NH3+]C[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000818002329 593655594 /nfs/dbraw/zinc/65/55/94/593655594.db2.gz WVFZTWQAQAWTDA-AWEZNQCLSA-N 1 0 331.376 1.578 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000818565148 593705007 /nfs/dbraw/zinc/70/50/07/593705007.db2.gz QNTWPVGHJMPAJA-CHWSQXEVSA-N 1 0 348.403 1.241 20 5 EDBDRO CC(C)Oc1cccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000818964883 593730633 /nfs/dbraw/zinc/73/06/33/593730633.db2.gz KAXBWSFNHHSMEV-OAHLLOKOSA-N 1 0 334.376 1.729 20 5 EDBDRO CC1(C)OC[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000819155669 593741910 /nfs/dbraw/zinc/74/19/10/593741910.db2.gz OYPGVQGELYBDTK-JSGCOSHPSA-N 1 0 326.349 1.076 20 5 EDBDRO Cc1cc(N2CCC([NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000819253463 593746869 /nfs/dbraw/zinc/74/68/69/593746869.db2.gz FHELHVQQOQHHKY-MRXNPFEDSA-N 1 0 345.403 1.918 20 5 EDBDRO CC(=O)Nc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000819271397 593747821 /nfs/dbraw/zinc/74/78/21/593747821.db2.gz ACZAVQNNLMRGKD-OAHLLOKOSA-N 1 0 330.344 1.771 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000820752039 593881034 /nfs/dbraw/zinc/88/10/34/593881034.db2.gz JSUXYZJEUBBZES-ZYHUDNBSSA-N 1 0 331.380 1.551 20 5 EDBDRO Nc1ccc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000823997678 593904305 /nfs/dbraw/zinc/90/43/05/593904305.db2.gz GNLOEUSSIUXWMN-RYUDHWBXSA-N 1 0 335.364 1.162 20 5 EDBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821001363 593942434 /nfs/dbraw/zinc/94/24/34/593942434.db2.gz QRTABQOFQRDVAE-STQMWFEESA-N 1 0 343.391 1.838 20 5 EDBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000821051666 593954173 /nfs/dbraw/zinc/95/41/73/593954173.db2.gz FQLMKGKAUGFQFL-BBWFWOEESA-N 1 0 347.415 1.661 20 5 EDBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000825183870 594143690 /nfs/dbraw/zinc/14/36/90/594143690.db2.gz RMUQNHCFMIXRMS-AWEZNQCLSA-N 1 0 348.403 1.303 20 5 EDBDRO O=[N+]([O-])c1cc(-c2nc(N3CC[NH2+]CC3)no2)ccc1-n1ccnc1 ZINC000823309885 594183562 /nfs/dbraw/zinc/18/35/62/594183562.db2.gz NZSOQONUVHEWJW-UHFFFAOYSA-N 1 0 341.331 1.240 20 5 EDBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825505762 594193934 /nfs/dbraw/zinc/19/39/34/594193934.db2.gz ULJOMTMJNKRBBB-HNNXBMFYSA-N 1 0 335.404 1.961 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000823635096 594223566 /nfs/dbraw/zinc/22/35/66/594223566.db2.gz RIPHPEMKSSCFFN-OAHLLOKOSA-N 1 0 340.343 1.598 20 5 EDBDRO CN(C)c1cc(F)c(C(=O)N(C)CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000825727558 594232332 /nfs/dbraw/zinc/23/23/32/594232332.db2.gz RVHOGESOGSXSTN-UHFFFAOYSA-N 1 0 338.383 1.968 20 5 EDBDRO CN(C)c1cc(F)c(C(=O)N(CC[NH+](C)C)C2CC2)cc1[N+](=O)[O-] ZINC000828774085 594500444 /nfs/dbraw/zinc/50/04/44/594500444.db2.gz DBIMUQPAFAXIRT-UHFFFAOYSA-N 1 0 338.383 1.966 20 5 EDBDRO O=[N+]([O-])c1ccc(NCCCC[NH+]2CCOCC2)cc1-c1nn[nH]n1 ZINC000826498714 594502668 /nfs/dbraw/zinc/50/26/68/594502668.db2.gz GRXDOAVYMCRCHY-UHFFFAOYSA-N 1 0 347.379 1.299 20 5 EDBDRO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)c1ccccc1[N+](=O)[O-] ZINC000827308499 594659869 /nfs/dbraw/zinc/65/98/69/594659869.db2.gz BRUSKFWEAWWZEP-KBPBESRZSA-N 1 0 332.404 1.584 20 5 EDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827367363 594665345 /nfs/dbraw/zinc/66/53/45/594665345.db2.gz UTHLPYUBHAACOI-WFASDCNBSA-N 1 0 332.404 1.827 20 5 EDBDRO CCO[C@H](CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000831775974 594702072 /nfs/dbraw/zinc/70/20/72/594702072.db2.gz BZJXCVAEIVIPLJ-PMPSAXMXSA-N 1 0 335.404 1.781 20 5 EDBDRO CC1([NH+]2CCCCC2)CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000832243589 594737573 /nfs/dbraw/zinc/73/75/73/594737573.db2.gz UHMZSTIAPSADIL-UHFFFAOYSA-N 1 0 336.396 1.053 20 5 EDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832400671 594747810 /nfs/dbraw/zinc/74/78/10/594747810.db2.gz MPMYTRKKUMGDQN-UHOFOFEASA-N 1 0 333.388 1.713 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000832742842 594773513 /nfs/dbraw/zinc/77/35/13/594773513.db2.gz QCRUSUHCGNGJMV-DGCLKSJQSA-N 1 0 331.376 1.530 20 5 EDBDRO COC(=O)[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@H+](C)C1 ZINC000840956811 594832933 /nfs/dbraw/zinc/83/29/33/594832933.db2.gz FEMKAYBHEWVHSM-GFCCVEGCSA-N 1 0 341.795 1.785 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCCC[NH2+]C(C)C ZINC000841168183 594861980 /nfs/dbraw/zinc/86/19/80/594861980.db2.gz QTBPTGYMRWQTQJ-UHFFFAOYSA-N 1 0 340.355 1.485 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000841208795 594868358 /nfs/dbraw/zinc/86/83/58/594868358.db2.gz SWKRIGNMCAKVEH-VHSXEESVSA-N 1 0 338.339 1.177 20 5 EDBDRO C[C@H](NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000836283774 594947170 /nfs/dbraw/zinc/94/71/70/594947170.db2.gz NRIFCMFJWIPZDT-RCBQFDQVSA-N 1 0 348.403 1.818 20 5 EDBDRO C[C@@H](C[NH3+])CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843451887 595115904 /nfs/dbraw/zinc/11/59/04/595115904.db2.gz GOEJRTQJYYHBHM-LURJTMIESA-N 1 0 334.145 1.821 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)c1C ZINC000842486054 595121219 /nfs/dbraw/zinc/12/12/19/595121219.db2.gz ZADSTKIKBOQURA-OAHLLOKOSA-N 1 0 339.417 1.728 20 5 EDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000834469695 595133231 /nfs/dbraw/zinc/13/32/31/595133231.db2.gz NCMNSBCZHBWNMU-CQSZACIVSA-N 1 0 331.376 1.545 20 5 EDBDRO [NH3+]C1(c2noc(-c3cc([N+](=O)[O-])ccc3N3CCOCC3)n2)CCC1 ZINC000842614058 595142269 /nfs/dbraw/zinc/14/22/69/595142269.db2.gz CLCKXOLNCCQKNR-UHFFFAOYSA-N 1 0 345.359 1.819 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCC1(C[NH3+])CC1 ZINC000846230282 595180779 /nfs/dbraw/zinc/18/07/79/595180779.db2.gz CVESUOOAKNGURH-UHFFFAOYSA-N 1 0 347.824 1.964 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000842790036 595200245 /nfs/dbraw/zinc/20/02/45/595200245.db2.gz BXCAMPOHMDVHDK-NXEZZACHSA-N 1 0 347.824 1.914 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000842846058 595214457 /nfs/dbraw/zinc/21/44/57/595214457.db2.gz HOJTUBHCKFXQEY-ZDUSSCGKSA-N 1 0 347.824 1.916 20 5 EDBDRO O=C(CO[C@H]1CCC[NH2+]C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000844174641 595291966 /nfs/dbraw/zinc/29/19/66/595291966.db2.gz PLYLDMPWBYUJHY-INIZCTEOSA-N 1 0 348.403 1.012 20 5 EDBDRO C[NH+](C)CCN1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1=O ZINC000844375564 595333459 /nfs/dbraw/zinc/33/34/59/595333459.db2.gz ISJRRSIBYNLODZ-UHFFFAOYSA-N 1 0 340.811 1.454 20 5 EDBDRO COC(=O)CC1([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000844387609 595335192 /nfs/dbraw/zinc/33/51/92/595335192.db2.gz VXMYBVFCPLLEQW-UHFFFAOYSA-N 1 0 341.751 1.872 20 5 EDBDRO O=C(CC[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000844432269 595342583 /nfs/dbraw/zinc/34/25/83/595342583.db2.gz FCXHUWRWGQNXOE-JOMGAKPTSA-N 1 0 341.364 1.268 20 5 EDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000847003433 595349715 /nfs/dbraw/zinc/34/97/15/595349715.db2.gz WAMGSZVKDHFOKR-NSHDSACASA-N 1 0 327.356 1.557 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848306673 595357368 /nfs/dbraw/zinc/35/73/68/595357368.db2.gz XGXRDSSHXNCRPD-KIIBNJGVSA-N 1 0 331.372 1.276 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000847183184 595373184 /nfs/dbraw/zinc/37/31/84/595373184.db2.gz DSPYLIURLHBYCH-KLPPZKSPSA-N 1 0 336.348 1.881 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848478088 595389393 /nfs/dbraw/zinc/38/93/93/595389393.db2.gz BNQSONNTYHOSHG-DLBZAZTESA-N 1 0 346.431 1.894 20 5 EDBDRO CC[C@H]1C[N@H+](C)CCN1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848490514 595394479 /nfs/dbraw/zinc/39/44/79/595394479.db2.gz OKKBVRMANUTZCM-RDJZCZTQSA-N 1 0 346.431 1.894 20 5 EDBDRO C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848676562 595426338 /nfs/dbraw/zinc/42/63/38/595426338.db2.gz NWBSXPPCKKHNLO-SZOQZIPDSA-N 1 0 337.420 1.716 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)[C@@H]2CCCCN2C)c1 ZINC000845121368 595445752 /nfs/dbraw/zinc/44/57/52/595445752.db2.gz HPDJXASPLVSTOV-AWEZNQCLSA-N 1 0 336.344 1.909 20 5 EDBDRO COC(=O)N(C)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000850548499 595533505 /nfs/dbraw/zinc/53/35/05/595533505.db2.gz SUUJZMLAVVBMJC-RYUDHWBXSA-N 1 0 325.369 1.563 20 5 EDBDRO COC(=O)N(C)CC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000850550498 595533954 /nfs/dbraw/zinc/53/39/54/595533954.db2.gz PNCLLGFQHNKVPP-LLVKDONJSA-N 1 0 338.364 1.600 20 5 EDBDRO C[C@@H](CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[NH+](C)C ZINC000850596802 595544612 /nfs/dbraw/zinc/54/46/12/595544612.db2.gz WJZIRMMBQWPYEA-VIFPVBQESA-N 1 0 342.783 1.643 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000852806986 595550469 /nfs/dbraw/zinc/55/04/69/595550469.db2.gz NGRSVJGSUWUYKH-AAEUAGOBSA-N 1 0 327.768 1.570 20 5 EDBDRO Cc1nn(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000853542844 595793407 /nfs/dbraw/zinc/79/34/07/595793407.db2.gz JDDZJFQFKVNWTA-IYBDPMFKSA-N 1 0 331.376 1.964 20 5 EDBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000860828700 595810073 /nfs/dbraw/zinc/81/00/73/595810073.db2.gz KSYQRJRIRONAHF-QGZVFWFLSA-N 1 0 329.356 1.544 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000853965310 595936088 /nfs/dbraw/zinc/93/60/88/595936088.db2.gz GQJJPTRNJAQGON-ZDUSSCGKSA-N 1 0 336.348 1.538 20 5 EDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC[C@@H]1COCC[NH2+]1 ZINC000861608287 596046111 /nfs/dbraw/zinc/04/61/11/596046111.db2.gz NAWLWZWURPSVDS-SNVBAGLBSA-N 1 0 328.756 1.036 20 5 EDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000854355301 596049803 /nfs/dbraw/zinc/04/98/03/596049803.db2.gz YPGRZHXPLHDHGJ-LBPRGKRZSA-N 1 0 336.367 1.162 20 5 EDBDRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000854643833 596147158 /nfs/dbraw/zinc/14/71/58/596147158.db2.gz YPIZXOGTWWYNLN-GJZGRUSLSA-N 1 0 337.351 1.669 20 5 EDBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000854735013 596181094 /nfs/dbraw/zinc/18/10/94/596181094.db2.gz IBYHRRWRNSYDEV-NVXWUHKLSA-N 1 0 333.388 1.573 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1OS(=O)(=O)CCC[NH+]1CCCC1 ZINC000866693345 596296799 /nfs/dbraw/zinc/29/67/99/596296799.db2.gz AUBJDLYJTDDERN-UHFFFAOYSA-N 1 0 344.389 1.798 20 5 EDBDRO COc1ccc(NC(=O)CCN2CCC[C@H]3[NH2+]CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000866722251 596310484 /nfs/dbraw/zinc/31/04/84/596310484.db2.gz WJLTUDPIPMWVPU-HIFRSBDPSA-N 1 0 348.403 1.758 20 5 EDBDRO C[N@@H+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCC1(C)C ZINC000867681444 596494391 /nfs/dbraw/zinc/49/43/91/596494391.db2.gz WDTGNSNFOYACGC-UHFFFAOYSA-N 1 0 341.433 1.841 20 5 EDBDRO O=[N+]([O-])c1cc(CO)c(N2CC[NH+](C[C@H]3CCOC3)CC2)cc1F ZINC000865592234 596620259 /nfs/dbraw/zinc/62/02/59/596620259.db2.gz QUYUZBPZAGMBQC-GFCCVEGCSA-N 1 0 339.367 1.385 20 5 EDBDRO CC(C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000863582111 596626070 /nfs/dbraw/zinc/62/60/70/596626070.db2.gz DBAXRPJLCOPHNR-HNNXBMFYSA-N 1 0 335.404 1.866 20 5 EDBDRO [NH3+][C@H]1CC=C(c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000863672891 596654211 /nfs/dbraw/zinc/65/42/11/596654211.db2.gz JWYJXIFJDHMMFA-LBPRGKRZSA-N 1 0 343.343 1.341 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000871764582 596688672 /nfs/dbraw/zinc/68/86/72/596688672.db2.gz IFRWCXDCUYAVKN-ZIAGYGMSSA-N 1 0 332.360 1.228 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872150581 596813454 /nfs/dbraw/zinc/81/34/54/596813454.db2.gz XMLUKYMIAGIZOC-BWACUDIHSA-N 1 0 348.403 1.472 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)[NH+]2CCCC2)cc1F ZINC000866490410 596892788 /nfs/dbraw/zinc/89/27/88/596892788.db2.gz OQZQBNDSKAINGT-LLVKDONJSA-N 1 0 345.396 1.805 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000872781315 597065377 /nfs/dbraw/zinc/06/53/77/597065377.db2.gz RUWGFECQIXPXEY-CHWSQXEVSA-N 1 0 334.376 1.758 20 5 EDBDRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000876551222 597236488 /nfs/dbraw/zinc/23/64/88/597236488.db2.gz NGJRKOGRBLYRKM-FNGHRWMPSA-N 1 0 344.415 1.655 20 5 EDBDRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000876587007 597251548 /nfs/dbraw/zinc/25/15/48/597251548.db2.gz KGJNXZGBYTWERE-XSHSDMCLSA-N 1 0 345.403 1.194 20 5 EDBDRO C[C@@H]([NH3+])CN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000877101559 597433332 /nfs/dbraw/zinc/43/33/32/597433332.db2.gz NBLRDAYCRFUYQI-ZCFIWIBFSA-N 1 0 334.145 1.916 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000877451244 597517400 /nfs/dbraw/zinc/51/74/00/597517400.db2.gz KUDAIUSQMDXKCA-ZMSDIMECSA-N 1 0 332.404 1.464 20 5 EDBDRO Cc1ccccc1C[C@@H](CO)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877465745 597519788 /nfs/dbraw/zinc/51/97/88/597519788.db2.gz WENKEUQAIZULGF-PCKAHOCUSA-N 1 0 330.388 1.996 20 5 EDBDRO C[C@@]12C[NH+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@@]1(C)C(=O)NC2=O ZINC000877668047 597546450 /nfs/dbraw/zinc/54/64/50/597546450.db2.gz MTPKUYRYPNJTOL-GJZGRUSLSA-N 1 0 337.763 1.733 20 5 EDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)o1 ZINC000877764564 597553444 /nfs/dbraw/zinc/55/34/44/597553444.db2.gz IUKSCGSAOMSQGP-BETUJISGSA-N 1 0 332.356 1.887 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000878360928 597597837 /nfs/dbraw/zinc/59/78/37/597597837.db2.gz JLPIRJOKCJNBIO-NSHDSACASA-N 1 0 343.387 1.969 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)c1 ZINC000879499401 597609407 /nfs/dbraw/zinc/60/94/07/597609407.db2.gz SSXSQCNZKJEHSV-CQSZACIVSA-N 1 0 328.376 1.671 20 5 EDBDRO COc1cccc([C@H]2C[NH2+]CCN2CCn2ccc([N+](=O)[O-])n2)c1 ZINC000883456194 597754843 /nfs/dbraw/zinc/75/48/43/597754843.db2.gz RLLOCQIWZSKYGM-OAHLLOKOSA-N 1 0 331.376 1.446 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC[N@@H+]1C ZINC000878960579 597767497 /nfs/dbraw/zinc/76/74/97/597767497.db2.gz NLAZYVJGQBMAFJ-RYUDHWBXSA-N 1 0 349.387 1.969 20 5 EDBDRO O=C(CCN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000880072364 597831391 /nfs/dbraw/zinc/83/13/91/597831391.db2.gz UZHOXVDKMPAKIF-JKSUJKDBSA-N 1 0 348.403 1.064 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000882727238 598034935 /nfs/dbraw/zinc/03/49/35/598034935.db2.gz PNKGOGDSYFFGTK-CQSZACIVSA-N 1 0 337.424 1.857 20 5 EDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820708971 606700539 /nfs/dbraw/zinc/70/05/39/606700539.db2.gz AZLATXOXUPGUEU-GHMZBOCLSA-N 1 0 346.395 1.702 20 5 EDBDRO C[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000820703978 607168314 /nfs/dbraw/zinc/16/83/14/607168314.db2.gz KWFPWQGFZBPHEV-GHMZBOCLSA-N 1 0 346.395 1.845 20 5 EDBDRO Cc1ccnc(C(=O)NCC2CN(Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC001031641402 697392076 /nfs/dbraw/zinc/39/20/76/697392076.db2.gz FEWOFTFBAMTKBB-UHFFFAOYSA-N 1 0 341.371 1.555 20 5 EDBDRO COc1ccc(CNC(=S)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000920311077 697419210 /nfs/dbraw/zinc/41/92/10/697419210.db2.gz KYDZMIHWQMAYRL-UHFFFAOYSA-N 1 0 338.433 1.662 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(CO)COCCN1C ZINC000922532938 703933754 /nfs/dbraw/zinc/93/37/54/703933754.db2.gz KVSYGGCHMXRCPZ-AAKUMTKESA-N 1 0 335.404 1.281 20 5 EDBDRO C/C=C(\C)C(=O)N1CCC(C[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000997664280 703992406 /nfs/dbraw/zinc/99/24/06/703992406.db2.gz RRWSCPSVCUNWSM-UUILKARUSA-N 1 0 335.408 1.623 20 5 EDBDRO Cc1cnc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)o1 ZINC000946589117 704164265 /nfs/dbraw/zinc/16/42/65/704164265.db2.gz HHPPTQJXBAHZCT-LXTVHRRPSA-N 1 0 348.403 1.319 20 5 EDBDRO COc1cccc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000997768961 704672317 /nfs/dbraw/zinc/67/23/17/704672317.db2.gz LFJOLKNYIZSQTP-HUUCEWRRSA-N 1 0 348.403 1.084 20 5 EDBDRO O=C(NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1nnc[nH]1 ZINC001001952716 708453826 /nfs/dbraw/zinc/45/38/26/708453826.db2.gz HEYGBXIXLSKGSH-UHFFFAOYSA-N 1 0 344.375 1.355 20 5 EDBDRO Cn1cc(C(=O)NC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC001002721940 709323224 /nfs/dbraw/zinc/32/32/24/709323224.db2.gz BGJKZDCNZCHBGZ-UHFFFAOYSA-N 1 0 344.375 1.118 20 5 EDBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1nnc[nH]1 ZINC001034757311 711009696 /nfs/dbraw/zinc/00/96/96/711009696.db2.gz IXJKUOPQHSEDCW-JOCQHMNTSA-N 1 0 344.375 1.544 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174536186 231234460 /nfs/dbraw/zinc/23/44/60/231234460.db2.gz PYDBYHNGJHLVHI-OAHLLOKOSA-N 1 0 349.435 1.824 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420127070 290722297 /nfs/dbraw/zinc/72/22/97/290722297.db2.gz REAMMGTXZJPKKI-MRXNPFEDSA-N 1 0 348.447 1.863 20 5 EDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000561552241 306289382 /nfs/dbraw/zinc/28/93/82/306289382.db2.gz INMMEASIVOPAQA-VXGBXAGGSA-N 1 0 340.405 1.237 20 5 EDBDRO C[C@]1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCC[NH2+]1 ZINC000180903091 234024249 /nfs/dbraw/zinc/02/42/49/234024249.db2.gz BZQXXSDHRXNQFX-QGZVFWFLSA-N 1 0 332.404 1.776 20 5 EDBDRO Cc1cc(NC[C@@H]2C[NH2+]CCN2C)c(Br)cc1[N+](=O)[O-] ZINC000394771191 303854314 /nfs/dbraw/zinc/85/43/14/303854314.db2.gz UGSHYMRWGMAOFY-JTQLQIEISA-N 1 0 343.225 1.981 20 5 EDBDRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])o1 ZINC000183406470 235054229 /nfs/dbraw/zinc/05/42/29/235054229.db2.gz UTIVKMABBQMYNI-AWEZNQCLSA-N 1 0 345.355 1.684 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000184096970 235305352 /nfs/dbraw/zinc/30/53/52/235305352.db2.gz XTEUGMSUYAEADY-MRXNPFEDSA-N 1 0 336.388 1.757 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000563446347 306333700 /nfs/dbraw/zinc/33/37/00/306333700.db2.gz QSBZTEBDCTYWGC-NEPJUHHUSA-N 1 0 327.406 1.583 20 5 EDBDRO NC(=O)CC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000077168580 138251856 /nfs/dbraw/zinc/25/18/56/138251856.db2.gz FAKGUTPZCNZHBD-UHFFFAOYSA-N 1 0 334.376 1.511 20 5 EDBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000123744831 138320870 /nfs/dbraw/zinc/32/08/70/138320870.db2.gz BMGJXUTVMFJBFP-VIFPVBQESA-N 1 0 335.451 1.973 20 5 EDBDRO CCOC(=O)CC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000130357377 138340861 /nfs/dbraw/zinc/34/08/61/138340861.db2.gz FXKSAMBRSCYGAY-UHFFFAOYSA-N 1 0 349.387 1.859 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000187709007 236282078 /nfs/dbraw/zinc/28/20/78/236282078.db2.gz SMELNPKEYXUXIO-UHFFFAOYSA-N 1 0 334.376 1.394 20 5 EDBDRO COc1cc(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000177056541 138720941 /nfs/dbraw/zinc/72/09/41/138720941.db2.gz ZXMOVBVIXCMDHL-LLVKDONJSA-N 1 0 343.405 1.176 20 5 EDBDRO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000414348061 304109541 /nfs/dbraw/zinc/10/95/41/304109541.db2.gz RSIKYKJZSRNIPM-RYUDHWBXSA-N 1 0 336.392 1.815 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000154392400 201396781 /nfs/dbraw/zinc/39/67/81/201396781.db2.gz YNKUAZGELSCJMP-CQSZACIVSA-N 1 0 325.390 1.277 20 5 EDBDRO COC(=O)c1cc(NC(=O)N[C@@H](C)C[C@H](C)[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000566228325 306404542 /nfs/dbraw/zinc/40/45/42/306404542.db2.gz ZJAUAEIQSJPTAW-IUCAKERBSA-N 1 0 338.364 1.937 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000363938230 284065500 /nfs/dbraw/zinc/06/55/00/284065500.db2.gz NRKKKZUFQJLPOC-VXGBXAGGSA-N 1 0 347.371 1.723 20 5 EDBDRO COc1ccc(NC(=O)CC[N@H+](C)CC[C@H](C)O)c([N+](=O)[O-])c1 ZINC000072713597 203242189 /nfs/dbraw/zinc/24/21/89/203242189.db2.gz UNEBEUMKGIPCFT-NSHDSACASA-N 1 0 325.365 1.635 20 5 EDBDRO C[C@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000074137674 203281686 /nfs/dbraw/zinc/28/16/86/203281686.db2.gz NXNUJJUBUIFMRM-MVGZEHJDSA-N 1 0 346.431 1.608 20 5 EDBDRO O=C(NCCC[NH2+]C1CC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000566856470 306430780 /nfs/dbraw/zinc/43/07/80/306430780.db2.gz BWGLYUBMWAPEKO-UHFFFAOYSA-N 1 0 329.360 1.652 20 5 EDBDRO CC[N@H+](CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000101957367 204027723 /nfs/dbraw/zinc/02/77/23/204027723.db2.gz VBMRLZLQNDETQQ-UHFFFAOYSA-N 1 0 325.340 1.713 20 5 EDBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000103451976 204080178 /nfs/dbraw/zinc/08/01/78/204080178.db2.gz MSXBRQFYDDAHFU-UHFFFAOYSA-N 1 0 331.376 1.885 20 5 EDBDRO CC(C)[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[NH+](C)C ZINC000106409229 204192404 /nfs/dbraw/zinc/19/24/04/204192404.db2.gz VNZXVLGYIUMFNW-MRXNPFEDSA-N 1 0 334.420 1.830 20 5 EDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC000107888855 204250711 /nfs/dbraw/zinc/25/07/11/204250711.db2.gz JOHZZBFKGZOGSF-NSHDSACASA-N 1 0 336.348 1.883 20 5 EDBDRO Cc1c(C(=O)NC[C@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000110650292 204318548 /nfs/dbraw/zinc/31/85/48/204318548.db2.gz RGGFUXGNWDWOMD-LLVKDONJSA-N 1 0 336.348 1.801 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000236654088 139027692 /nfs/dbraw/zinc/02/76/92/139027692.db2.gz KIMLOCKUAIWPHX-CYBMUJFWSA-N 1 0 329.422 1.897 20 5 EDBDRO C[C@@H]1C[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000155820892 205042204 /nfs/dbraw/zinc/04/22/04/205042204.db2.gz FGLKFOMHEXLWHB-DGCLKSJQSA-N 1 0 339.417 1.639 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000156387966 205080982 /nfs/dbraw/zinc/08/09/82/205080982.db2.gz LKYLBPRIBSZMDM-OLZOCXBDSA-N 1 0 343.387 1.980 20 5 EDBDRO COc1cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000237376305 139049634 /nfs/dbraw/zinc/04/96/34/139049634.db2.gz PZPWNBWJXUOQLE-ZACCUICWSA-N 1 0 341.389 1.165 20 5 EDBDRO NC(=O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128243181 205139710 /nfs/dbraw/zinc/13/97/10/205139710.db2.gz SPPFRRLOYLNZRH-ZDUSSCGKSA-N 1 0 338.339 1.402 20 5 EDBDRO COc1ccc(CSCC(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000157730853 205244405 /nfs/dbraw/zinc/24/44/05/205244405.db2.gz CXZSJDSERFNHIL-GFCCVEGCSA-N 1 0 339.417 1.786 20 5 EDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000130006274 205220133 /nfs/dbraw/zinc/22/01/33/205220133.db2.gz UPERTKLPFZGUBT-LBPRGKRZSA-N 1 0 329.360 1.510 20 5 EDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237521071 139053273 /nfs/dbraw/zinc/05/32/73/139053273.db2.gz JJQLSGOOHHELGK-VHSXEESVSA-N 1 0 330.344 1.259 20 5 EDBDRO Cc1nccn1CCCN(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000133324995 205362915 /nfs/dbraw/zinc/36/29/15/205362915.db2.gz IUICPPLRRKAZQF-UHFFFAOYSA-N 1 0 345.359 1.587 20 5 EDBDRO Cc1c(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cccc1[N+](=O)[O-] ZINC000567501455 306453650 /nfs/dbraw/zinc/45/36/50/306453650.db2.gz UQSCEQQLJWAPLL-CYBMUJFWSA-N 1 0 344.375 1.431 20 5 EDBDRO O=C(NCCCN1CC[NH2+]CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000237750870 139059523 /nfs/dbraw/zinc/05/95/23/139059523.db2.gz CKBXPYKONATBRN-UHFFFAOYSA-N 1 0 326.784 1.273 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)c1C ZINC000237779463 139060036 /nfs/dbraw/zinc/06/00/36/139060036.db2.gz GODSCCYPTJJUIF-CYBMUJFWSA-N 1 0 341.433 1.880 20 5 EDBDRO Cn1cc(C[NH2+]CCS(C)(=O)=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237785896 139060398 /nfs/dbraw/zinc/06/03/98/139060398.db2.gz HOAFLXHHGVPJTK-UHFFFAOYSA-N 1 0 338.389 1.130 20 5 EDBDRO CC[N@@H+]1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000158181102 206178059 /nfs/dbraw/zinc/17/80/59/206178059.db2.gz XDFIVFGYCJHJOO-UHFFFAOYSA-N 1 0 332.404 1.512 20 5 EDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161588273 206357872 /nfs/dbraw/zinc/35/78/72/206357872.db2.gz POYFKKFTIMDRDD-OLZOCXBDSA-N 1 0 336.396 1.060 20 5 EDBDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000162143293 206386364 /nfs/dbraw/zinc/38/63/64/206386364.db2.gz CLIZYRKELZBIEK-AWEZNQCLSA-N 1 0 327.406 1.651 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CCO)C(C)C ZINC000162269724 206394113 /nfs/dbraw/zinc/39/41/13/206394113.db2.gz WWPMGESQLDWTAC-ZDUSSCGKSA-N 1 0 339.392 1.929 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C[C@H]12 ZINC000248650359 139170141 /nfs/dbraw/zinc/17/01/41/139170141.db2.gz URYNTYPCEWFDJL-FPMFFAJLSA-N 1 0 330.388 1.978 20 5 EDBDRO O=C(NC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1)[C@H]1CCC[NH2+]1 ZINC000261636374 139213183 /nfs/dbraw/zinc/21/31/83/139213183.db2.gz HWLKEZAUPUTBJZ-GXTWGEPZSA-N 1 0 333.392 1.074 20 5 EDBDRO CN(CC(=O)N1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000261801271 139227204 /nfs/dbraw/zinc/22/72/04/139227204.db2.gz FSBQAJOYXYNTIN-UHFFFAOYSA-N 1 0 346.309 1.482 20 5 EDBDRO O=C(NCC1C[NH2+]C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000261892291 139234579 /nfs/dbraw/zinc/23/45/79/139234579.db2.gz CLGCMJWCBHHLBM-UHFFFAOYSA-N 1 0 332.129 1.446 20 5 EDBDRO C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000261995139 139242635 /nfs/dbraw/zinc/24/26/35/139242635.db2.gz UERZPJDUAULWRF-QWRGUYRKSA-N 1 0 327.406 1.798 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000262055069 139247046 /nfs/dbraw/zinc/24/70/46/139247046.db2.gz RGALBACSHXHCSK-ZDUSSCGKSA-N 1 0 349.778 1.618 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000415563204 251015575 /nfs/dbraw/zinc/01/55/75/251015575.db2.gz HHWMMVFGGSGFKD-NWDGAFQWSA-N 1 0 334.376 1.346 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415765510 251022700 /nfs/dbraw/zinc/02/27/00/251022700.db2.gz RCPZRCMNRUIJMD-QWHCGFSZSA-N 1 0 346.387 1.164 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000175115611 207094135 /nfs/dbraw/zinc/09/41/35/207094135.db2.gz QETWROXCRWVGDE-CYBMUJFWSA-N 1 0 341.433 1.784 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000175244699 207109433 /nfs/dbraw/zinc/10/94/33/207109433.db2.gz DLEGOMFOHPCAIF-ZDUSSCGKSA-N 1 0 348.403 1.819 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000175548345 207137403 /nfs/dbraw/zinc/13/74/03/207137403.db2.gz LJCBZPWBJOERSE-STQMWFEESA-N 1 0 347.419 1.931 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000415578609 304230847 /nfs/dbraw/zinc/23/08/47/304230847.db2.gz PHYLCGRUFGLWKD-BDAKNGLRSA-N 1 0 340.767 1.382 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418079520 251321252 /nfs/dbraw/zinc/32/12/52/251321252.db2.gz AHXAPMWIXQIITH-GFCCVEGCSA-N 1 0 344.375 1.507 20 5 EDBDRO C[C@@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000262564935 139287091 /nfs/dbraw/zinc/28/70/91/139287091.db2.gz WKIFRKZKKJLOTD-YPMHNXCESA-N 1 0 327.406 1.341 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418580479 251379043 /nfs/dbraw/zinc/37/90/43/251379043.db2.gz XSBAEJPCNRXBHA-XHDPSFHLSA-N 1 0 334.376 1.508 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000262635212 139291915 /nfs/dbraw/zinc/29/19/15/139291915.db2.gz ODAZYXGDZLZHBL-NEPJUHHUSA-N 1 0 349.387 1.969 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177222573 207308318 /nfs/dbraw/zinc/30/83/18/207308318.db2.gz GINGQDFCIWZAPI-CHWSQXEVSA-N 1 0 332.404 1.772 20 5 EDBDRO C[C@H](C[NH3+])CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000420220616 251646615 /nfs/dbraw/zinc/64/66/15/251646615.db2.gz SQVSZNGBHWYIBK-LLVKDONJSA-N 1 0 342.421 1.386 20 5 EDBDRO Cc1cccc(C)c1OC[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000569568127 306510948 /nfs/dbraw/zinc/51/09/48/306510948.db2.gz FGNFMJTXGFMKCS-ZBFHGGJFSA-N 1 0 348.403 1.826 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000262750150 139301032 /nfs/dbraw/zinc/30/10/32/139301032.db2.gz NDLZDCOFEHWTHH-LBPRGKRZSA-N 1 0 327.406 1.490 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000262765546 139301980 /nfs/dbraw/zinc/30/19/80/139301980.db2.gz KQBPTKLAXFSOFY-NEPJUHHUSA-N 1 0 327.406 1.630 20 5 EDBDRO O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000262796098 139304102 /nfs/dbraw/zinc/30/41/02/139304102.db2.gz NKFGURAYSIYIGG-GFCCVEGCSA-N 1 0 341.371 1.919 20 5 EDBDRO Cc1c(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000262834915 139306871 /nfs/dbraw/zinc/30/68/71/139306871.db2.gz QRZKLEZLAXDYJB-YGRLFVJLSA-N 1 0 344.375 1.212 20 5 EDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424315975 252196526 /nfs/dbraw/zinc/19/65/26/252196526.db2.gz CORFWZOVLPTFHD-STQMWFEESA-N 1 0 348.403 1.770 20 5 EDBDRO C[C@H]([NH3+])CCNC(=O)CCCn1c2ccc([N+](=O)[O-])cc2oc1=O ZINC000178637610 207513762 /nfs/dbraw/zinc/51/37/62/207513762.db2.gz OIGNWUZQBJINRP-JTQLQIEISA-N 1 0 336.348 1.136 20 5 EDBDRO C[C@H]([NH3+])C1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000178840862 207541090 /nfs/dbraw/zinc/54/10/90/207541090.db2.gz WZVFBKCXDCVQCB-LBPRGKRZSA-N 1 0 343.387 1.980 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)cc1[N+](=O)[O-] ZINC000180362505 207768013 /nfs/dbraw/zinc/76/80/13/207768013.db2.gz YVMSPAPKYLTCFX-UHFFFAOYSA-N 1 0 348.403 1.831 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)cccc1[N+](=O)[O-] ZINC000415676458 304254414 /nfs/dbraw/zinc/25/44/14/304254414.db2.gz KUFWFSGYWDRHRO-LBPRGKRZSA-N 1 0 334.376 1.429 20 5 EDBDRO Cc1cc(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)ccc1[N+](=O)[O-] ZINC000450891954 254698201 /nfs/dbraw/zinc/69/82/01/254698201.db2.gz LTTQYCIWOCUJJA-CQSZACIVSA-N 1 0 332.404 1.694 20 5 EDBDRO C[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[NH+](C)CC1 ZINC000263798241 139361102 /nfs/dbraw/zinc/36/11/02/139361102.db2.gz SGCGAYGHJBYCCD-LBPRGKRZSA-N 1 0 345.403 1.442 20 5 EDBDRO CC[C@@H](CO)[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000486956678 255021020 /nfs/dbraw/zinc/02/10/20/255021020.db2.gz JZLKFPUWNSSTHV-ZDUSSCGKSA-N 1 0 347.375 1.538 20 5 EDBDRO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000495839289 255330222 /nfs/dbraw/zinc/33/02/22/255330222.db2.gz WLIIRRKDUWUWFC-CYBMUJFWSA-N 1 0 339.396 1.734 20 5 EDBDRO CCOC(=O)N1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000496263530 255372320 /nfs/dbraw/zinc/37/23/20/255372320.db2.gz LWBPIZVXBJPGED-HNNXBMFYSA-N 1 0 337.376 1.839 20 5 EDBDRO Cc1nn(CCC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)c1[N+](=O)[O-] ZINC000263989371 139374312 /nfs/dbraw/zinc/37/43/12/139374312.db2.gz NJNYRVPXYQTKBF-KBPBESRZSA-N 1 0 335.408 1.541 20 5 EDBDRO Cn1cc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000264149887 139383062 /nfs/dbraw/zinc/38/30/62/139383062.db2.gz ZTACIFMYFWQSDH-RDJZCZTQSA-N 1 0 346.387 1.905 20 5 EDBDRO NC(=O)c1ccc(NCC2([NH+]3CCCC3)CCOCC2)c([N+](=O)[O-])c1 ZINC000264224606 139388175 /nfs/dbraw/zinc/38/81/75/139388175.db2.gz HQDUZYWOXXBUCV-UHFFFAOYSA-N 1 0 348.403 1.751 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC000571073969 306557911 /nfs/dbraw/zinc/55/79/11/306557911.db2.gz QDTMOGPQHOMCOD-KRWDZBQOSA-N 1 0 349.387 1.584 20 5 EDBDRO CCC[N@H+](CC)CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000266930115 139570407 /nfs/dbraw/zinc/57/04/07/139570407.db2.gz SJSUWSPZXNEZDT-UHFFFAOYSA-N 1 0 337.376 1.634 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CC2)cc1OC ZINC000416287879 304302790 /nfs/dbraw/zinc/30/27/90/304302790.db2.gz FUVMBQQDUWYTNP-UHFFFAOYSA-N 1 0 337.376 1.826 20 5 EDBDRO C[C@@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)[C@@H](C)C[N@@H+]1CCO ZINC000416288974 304303222 /nfs/dbraw/zinc/30/32/22/304303222.db2.gz DXJUNPHHNUKMII-NEPJUHHUSA-N 1 0 346.387 1.603 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000270329332 140080301 /nfs/dbraw/zinc/08/03/01/140080301.db2.gz HOMOADCSJGJQNJ-AWEZNQCLSA-N 1 0 336.392 1.157 20 5 EDBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1O ZINC000270941957 140204057 /nfs/dbraw/zinc/20/40/57/140204057.db2.gz RQJGZVDPEMHQHW-FZMZJTMJSA-N 1 0 337.376 1.635 20 5 EDBDRO COCCCOCC[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000271559760 140311500 /nfs/dbraw/zinc/31/15/00/140311500.db2.gz NBCGNRBCZQSCFA-UHFFFAOYSA-N 1 0 342.392 1.967 20 5 EDBDRO COCCCOCC[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000271603915 140318641 /nfs/dbraw/zinc/31/86/41/140318641.db2.gz UEBOIDRGQSQGCJ-OAHLLOKOSA-N 1 0 342.392 1.319 20 5 EDBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)CC1 ZINC000331745891 141076214 /nfs/dbraw/zinc/07/62/14/141076214.db2.gz YTMDFFJYQOEFPQ-ZDUSSCGKSA-N 1 0 335.408 1.902 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC[NH+]2CCCC2)c(C)cc1[N+](=O)[O-] ZINC000416379736 304313269 /nfs/dbraw/zinc/31/32/69/304313269.db2.gz ZWKNGYHCJKXBDK-UHFFFAOYSA-N 1 0 327.406 1.586 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000332226822 141143391 /nfs/dbraw/zinc/14/33/91/141143391.db2.gz NGPBPFNIKKBWFR-NWDGAFQWSA-N 1 0 333.392 1.358 20 5 EDBDRO CC[N@@H+]1C[C@@H](C)N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000332340661 141165396 /nfs/dbraw/zinc/16/53/96/141165396.db2.gz SCHZQIVLWCLWKA-ZIAGYGMSSA-N 1 0 346.431 1.898 20 5 EDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000332453499 141184348 /nfs/dbraw/zinc/18/43/48/141184348.db2.gz NOQNGAVFVCYLJY-APPDUMDISA-N 1 0 346.387 1.966 20 5 EDBDRO O=C1[C@H]([N@@H+]2CCC[C@H](CO)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000339752612 142145385 /nfs/dbraw/zinc/14/53/85/142145385.db2.gz FHTNWRBIFMXKMS-XJKSGUPXSA-N 1 0 333.388 1.795 20 5 EDBDRO COc1cc(C[NH2+]C[C@H](CO)c2cccnc2)c([N+](=O)[O-])cc1OC ZINC000342270084 142704424 /nfs/dbraw/zinc/70/44/24/142704424.db2.gz AFNIGPCAFMMIAJ-CQSZACIVSA-N 1 0 347.371 1.873 20 5 EDBDRO C[C@@H]([NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000342279045 142705512 /nfs/dbraw/zinc/70/55/12/142705512.db2.gz IXYGMBZPJIKUTB-LXTVHRRPSA-N 1 0 337.420 1.716 20 5 EDBDRO C[C@H]1[C@@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000344232331 142943580 /nfs/dbraw/zinc/94/35/80/142943580.db2.gz GRSIBPMINANTGQ-STQMWFEESA-N 1 0 335.408 1.789 20 5 EDBDRO COCCN1C(=O)N[C@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000345686103 143121306 /nfs/dbraw/zinc/12/13/06/143121306.db2.gz OAXXRRFWWZBXIH-HOTGVXAUSA-N 1 0 348.403 1.252 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000345714875 143124758 /nfs/dbraw/zinc/12/47/58/143124758.db2.gz ZRYGVDJCLGRABC-ZFWWWQNUSA-N 1 0 340.401 1.421 20 5 EDBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346205709 143178731 /nfs/dbraw/zinc/17/87/31/143178731.db2.gz VHNWLWXIKLGVCZ-GVXVVHGQSA-N 1 0 334.376 1.498 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346460033 143207123 /nfs/dbraw/zinc/20/71/23/143207123.db2.gz RIXXWTREAQHHSM-CQSZACIVSA-N 1 0 346.387 1.538 20 5 EDBDRO CC1=CC[N@H+](CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000347250654 143300300 /nfs/dbraw/zinc/30/03/00/143300300.db2.gz TXXYVBUWYNTXOL-UHFFFAOYSA-N 1 0 346.387 1.093 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@]2(CCO)CCOC2)n1 ZINC000351526010 143576495 /nfs/dbraw/zinc/57/64/95/143576495.db2.gz VJWIVGXRSUNPIO-FMKPAKJESA-N 1 0 338.408 1.654 20 5 EDBDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000337290512 292106439 /nfs/dbraw/zinc/10/64/39/292106439.db2.gz OCHHDPOKSQITIY-UONOGXRCSA-N 1 0 341.433 1.711 20 5 EDBDRO COCC[NH2+]C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000573008113 306608303 /nfs/dbraw/zinc/60/83/03/306608303.db2.gz UBAWDVFNOKVUBN-UHFFFAOYSA-N 1 0 334.376 1.936 20 5 EDBDRO Nc1c(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc(F)cc1[N+](=O)[O-] ZINC000369771869 155171364 /nfs/dbraw/zinc/17/13/64/155171364.db2.gz IGUKAKKKJUCVNR-MFKMUULPSA-N 1 0 336.367 1.920 20 5 EDBDRO CC(C)OC(=O)C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000573371464 306619501 /nfs/dbraw/zinc/61/95/01/306619501.db2.gz BARRROJLWSXOQD-SCRDCRAPSA-N 1 0 349.387 1.831 20 5 EDBDRO CCOc1cc(CN2C(=O)NC3(CC[NH2+]CC3)C2=O)ccc1[N+](=O)[O-] ZINC000573442485 306621426 /nfs/dbraw/zinc/62/14/26/306621426.db2.gz JZBDPTMIJVMKQV-UHFFFAOYSA-N 1 0 348.359 1.168 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000353017977 149255493 /nfs/dbraw/zinc/25/54/93/149255493.db2.gz DFHVZPGSEOKPJT-VIFPVBQESA-N 1 0 329.303 1.755 20 5 EDBDRO CC(C)[C@@H]1CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000353389806 149388694 /nfs/dbraw/zinc/38/86/94/149388694.db2.gz XAYWRAJRSYZIAQ-LSDHHAIUSA-N 1 0 341.433 1.897 20 5 EDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000353999454 149600507 /nfs/dbraw/zinc/60/05/07/149600507.db2.gz LDCGFXFNYMNVDB-GFCCVEGCSA-N 1 0 344.375 1.342 20 5 EDBDRO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369974942 155262134 /nfs/dbraw/zinc/26/21/34/155262134.db2.gz QQBWIFMCIZRNSN-OCCSQVGLSA-N 1 0 326.397 1.604 20 5 EDBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000355250984 150185267 /nfs/dbraw/zinc/18/52/67/150185267.db2.gz WJIMXEIHSPJTAI-UHFFFAOYSA-N 1 0 326.397 1.364 20 5 EDBDRO CC[NH+]1CCN(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000355586581 150325499 /nfs/dbraw/zinc/32/54/99/150325499.db2.gz TUNWPCRKBLSDQE-UHFFFAOYSA-N 1 0 337.376 1.284 20 5 EDBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000357776779 151148860 /nfs/dbraw/zinc/14/88/60/151148860.db2.gz XDWKFBDCLKDCND-NSHDSACASA-N 1 0 344.437 1.775 20 5 EDBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000358061528 151252478 /nfs/dbraw/zinc/25/24/78/151252478.db2.gz GRVAWQFKTOSPAE-ZDUSSCGKSA-N 1 0 347.293 1.410 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000360665350 152145145 /nfs/dbraw/zinc/14/51/45/152145145.db2.gz KKNOZQZAJHLQDF-ZYHUDNBSSA-N 1 0 327.406 1.664 20 5 EDBDRO CNc1c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)cccc1[N+](=O)[O-] ZINC000360952260 152261566 /nfs/dbraw/zinc/26/15/66/152261566.db2.gz YHUKRSQYGVNAOX-HNNXBMFYSA-N 1 0 338.433 1.804 20 5 EDBDRO CN1CC[NH+](C2(CNC(=O)[C@H]3C[C@H]3[N+](=O)[O-])CCCCCC2)CC1 ZINC000363969900 153110249 /nfs/dbraw/zinc/11/02/49/153110249.db2.gz LZQYSGIJGIMCDL-LSDHHAIUSA-N 1 0 338.452 1.108 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3nnc4n3CCC4)CC2)c1 ZINC000364350336 153213943 /nfs/dbraw/zinc/21/39/43/153213943.db2.gz XAQBKNBLISLNIM-UHFFFAOYSA-N 1 0 331.380 1.209 20 5 EDBDRO [NH2+]=C(NO)[C@@H]1CCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000364406890 153228897 /nfs/dbraw/zinc/22/88/97/153228897.db2.gz CEFWDFXXGNNHTA-AAEUAGOBSA-N 1 0 338.364 1.145 20 5 EDBDRO Cn1cc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000364445892 153239705 /nfs/dbraw/zinc/23/97/05/153239705.db2.gz HINJJJOTSJMXRO-OAHLLOKOSA-N 1 0 328.372 1.952 20 5 EDBDRO Cn1cc(C[N@@H+]2C[C@H](O)C3(CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000364445891 153239905 /nfs/dbraw/zinc/23/99/05/153239905.db2.gz HINJJJOTSJMXRO-HNNXBMFYSA-N 1 0 328.372 1.952 20 5 EDBDRO C[N@@H+]1CCC[C@@H](N2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000364553300 153268032 /nfs/dbraw/zinc/26/80/32/153268032.db2.gz BNDQSDPNLSQDNN-MRXNPFEDSA-N 1 0 348.447 1.685 20 5 EDBDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000364589035 153279908 /nfs/dbraw/zinc/27/99/08/153279908.db2.gz CEGXIOUPIWDDRX-UHFFFAOYSA-N 1 0 327.406 1.575 20 5 EDBDRO NC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000364794219 153336024 /nfs/dbraw/zinc/33/60/24/153336024.db2.gz RNPMXUJLAWCCFH-LBPRGKRZSA-N 1 0 329.360 1.796 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000272374645 292294934 /nfs/dbraw/zinc/29/49/34/292294934.db2.gz BBBSRYUIWMUJFJ-LLVKDONJSA-N 1 0 332.360 1.638 20 5 EDBDRO O=C1CCCN1CC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000366710768 153896704 /nfs/dbraw/zinc/89/67/04/153896704.db2.gz OXTLKPUJBPPAOS-QGZVFWFLSA-N 1 0 347.415 1.963 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368312353 154503272 /nfs/dbraw/zinc/50/32/72/154503272.db2.gz LMMLFEGUFSEEIH-AWEZNQCLSA-N 1 0 339.417 1.578 20 5 EDBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)Cn1ccnn1)CCCC2 ZINC000417360843 304394776 /nfs/dbraw/zinc/39/47/76/304394776.db2.gz KHFTVZQCIGAZGA-HOCLYGCPSA-N 1 0 331.376 1.605 20 5 EDBDRO CCc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000371844088 156136259 /nfs/dbraw/zinc/13/62/59/156136259.db2.gz IRKHOPXSCCRTDZ-CABCVRRESA-N 1 0 333.388 1.750 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000372334180 156339956 /nfs/dbraw/zinc/33/99/56/156339956.db2.gz ZINVLBLTYGPTFT-NSHDSACASA-N 1 0 335.324 1.233 20 5 EDBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000374534684 157321360 /nfs/dbraw/zinc/32/13/60/157321360.db2.gz NKWYWSKMUWTXCA-GFCCVEGCSA-N 1 0 347.375 1.980 20 5 EDBDRO CC[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000378322755 158140487 /nfs/dbraw/zinc/14/04/87/158140487.db2.gz XORPHSZLFWSPME-JKSUJKDBSA-N 1 0 332.404 1.552 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC([C@H]3CCCOC3)CC2)c1 ZINC000378592374 158215976 /nfs/dbraw/zinc/21/59/76/158215976.db2.gz JSUYUVISQQHBII-HOCLYGCPSA-N 1 0 338.408 1.291 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000408236774 158306707 /nfs/dbraw/zinc/30/67/07/158306707.db2.gz NTRMJRZDRXCPRQ-QWHCGFSZSA-N 1 0 341.433 1.864 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](CCO)CC1CC1 ZINC000352469804 162198751 /nfs/dbraw/zinc/19/87/51/162198751.db2.gz ZHTLDNBLZWMDOF-LLVKDONJSA-N 1 0 337.376 1.635 20 5 EDBDRO C[NH2+]C[C@@H](C)CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417999251 304444360 /nfs/dbraw/zinc/44/43/60/304444360.db2.gz VXSWKIARGXKACL-SNVBAGLBSA-N 1 0 328.800 1.945 20 5 EDBDRO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)N1CC[NH+](C)CC1 ZINC000075850733 287279453 /nfs/dbraw/zinc/27/94/53/287279453.db2.gz QHMKHFKFLSLDCQ-GFCCVEGCSA-N 1 0 340.449 1.658 20 5 EDBDRO Cc1cc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000123175809 222229382 /nfs/dbraw/zinc/22/93/82/222229382.db2.gz JECSYYOSJCXCFQ-QGZVFWFLSA-N 1 0 348.447 1.905 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000130989407 287502586 /nfs/dbraw/zinc/50/25/86/287502586.db2.gz GUQIRZOLSLJWAV-CHWSQXEVSA-N 1 0 334.376 1.475 20 5 EDBDRO COc1cc(S(=O)(=O)N(C)CC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000150809683 287588843 /nfs/dbraw/zinc/58/88/43/287588843.db2.gz FPTIYXRLTDLOJV-UHFFFAOYSA-N 1 0 343.405 1.320 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000237706553 273012183 /nfs/dbraw/zinc/01/21/83/273012183.db2.gz LPQVYBHCWRTBPX-HUBLWGQQSA-N 1 0 348.403 1.299 20 5 EDBDRO O=[N+]([O-])c1cnc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)nc1 ZINC000273904320 268091679 /nfs/dbraw/zinc/09/16/79/268091679.db2.gz IDBJJLSLEMCTFH-OAHLLOKOSA-N 1 0 329.360 1.564 20 5 EDBDRO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCOC1 ZINC000274603761 268166962 /nfs/dbraw/zinc/16/69/62/268166962.db2.gz LUCAWMBHVCCXHQ-NXEZZACHSA-N 1 0 337.332 1.277 20 5 EDBDRO C[NH+](C)C1(CNC(=O)NCCNc2ccccc2[N+](=O)[O-])CCC1 ZINC000275527747 268355448 /nfs/dbraw/zinc/35/54/48/268355448.db2.gz WMNQSZWZVGPJHS-UHFFFAOYSA-N 1 0 335.408 1.790 20 5 EDBDRO COCCO[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000275553558 268360069 /nfs/dbraw/zinc/36/00/69/268360069.db2.gz NBQPUSTUXITXGD-HOCLYGCPSA-N 1 0 340.376 1.072 20 5 EDBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[C@H]1[NH+](C)C ZINC000276333258 273160172 /nfs/dbraw/zinc/16/01/72/273160172.db2.gz RMNQKHDJPBBPEZ-GXFFZTMASA-N 1 0 327.406 1.385 20 5 EDBDRO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000282127657 273592201 /nfs/dbraw/zinc/59/22/01/273592201.db2.gz FFPLMYMRDLLLSH-UHFFFAOYSA-N 1 0 328.376 1.675 20 5 EDBDRO C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282538141 273672672 /nfs/dbraw/zinc/67/26/72/273672672.db2.gz RCDRSEMTURDDEZ-AWEZNQCLSA-N 1 0 335.404 1.564 20 5 EDBDRO C[C@@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282750589 273712205 /nfs/dbraw/zinc/71/22/05/273712205.db2.gz KDMUQDVEANNCDZ-BXUZGUMPSA-N 1 0 346.387 1.713 20 5 EDBDRO COc1ccc(OCC[N@@H+]2C[C@H](OC)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000284471104 274214154 /nfs/dbraw/zinc/21/41/54/274214154.db2.gz BHUSEUACFOMGKQ-WCQYABFASA-N 1 0 326.349 1.064 20 5 EDBDRO C[N@@H+]1CCO[C@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C[C@H]21 ZINC000284949079 274399059 /nfs/dbraw/zinc/39/90/59/274399059.db2.gz JQVLGEYHTILJGX-KGLIPLIRSA-N 1 0 345.359 1.153 20 5 EDBDRO C[C@@H]1[C@@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCCN1C ZINC000342738854 274431632 /nfs/dbraw/zinc/43/16/32/274431632.db2.gz OGCMGLGXCVGFOP-KCXAZCMYSA-N 1 0 332.404 1.772 20 5 EDBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000285673125 274613485 /nfs/dbraw/zinc/61/34/85/274613485.db2.gz ZVYXQFQGSKNQDZ-UKRRQHHQSA-N 1 0 341.433 1.792 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000261850929 274666557 /nfs/dbraw/zinc/66/65/57/274666557.db2.gz DMQSOISLVFYPAM-GFCCVEGCSA-N 1 0 327.406 1.795 20 5 EDBDRO CC[N@H+](C)CCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000117259829 276069039 /nfs/dbraw/zinc/06/90/39/276069039.db2.gz MKYWVZKDVITOKD-UHFFFAOYSA-N 1 0 342.783 1.046 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000183768851 276118595 /nfs/dbraw/zinc/11/85/95/276118595.db2.gz BTITXXVUARFZPS-SNVBAGLBSA-N 1 0 330.410 1.384 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@@H]21 ZINC000408465497 277149368 /nfs/dbraw/zinc/14/93/68/277149368.db2.gz KKHIPSBHQGTQTO-ABAIWWIYSA-N 1 0 326.356 1.919 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@@H]2C1 ZINC000345565203 277180017 /nfs/dbraw/zinc/18/00/17/277180017.db2.gz HHDGIRBIKYQPIA-HUUCEWRRSA-N 1 0 344.371 1.621 20 5 EDBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286429466 288003724 /nfs/dbraw/zinc/00/37/24/288003724.db2.gz BOILCROVVPLRLC-OAHLLOKOSA-N 1 0 333.436 1.783 20 5 EDBDRO CC[N@@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000286624071 288048473 /nfs/dbraw/zinc/04/84/73/288048473.db2.gz SEYYEBQROOUDOE-GFCCVEGCSA-N 1 0 336.392 1.568 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000266164898 288079320 /nfs/dbraw/zinc/07/93/20/288079320.db2.gz IEBAYLLQOIBYQA-ZYHUDNBSSA-N 1 0 345.396 1.695 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368631581 280364986 /nfs/dbraw/zinc/36/49/86/280364986.db2.gz IDQXOEJOJBPZSN-GFCCVEGCSA-N 1 0 345.808 1.669 20 5 EDBDRO C[C@@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000338794162 288257365 /nfs/dbraw/zinc/25/73/65/288257365.db2.gz KVDKARVGTKBVEG-GASCZTMLSA-N 1 0 348.447 1.956 20 5 EDBDRO COCC[N@@H+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000287679722 288293581 /nfs/dbraw/zinc/29/35/81/288293581.db2.gz DERKAXOAPVXFFU-JTQLQIEISA-N 1 0 337.405 1.756 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374955686 281259197 /nfs/dbraw/zinc/25/91/97/281259197.db2.gz RDLBZEACEOXNSJ-UHFFFAOYSA-N 1 0 335.404 1.567 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000151605201 281259665 /nfs/dbraw/zinc/25/96/65/281259665.db2.gz ROMWRAIIFFTHAC-OAHLLOKOSA-N 1 0 332.404 1.646 20 5 EDBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289122309 288634149 /nfs/dbraw/zinc/63/41/49/288634149.db2.gz DMTMFXSNHWSASI-LLVKDONJSA-N 1 0 338.795 1.368 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290108656 288840783 /nfs/dbraw/zinc/84/07/83/288840783.db2.gz KJAJLFQDDDPWMM-AWEZNQCLSA-N 1 0 335.408 1.338 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290225674 288861510 /nfs/dbraw/zinc/86/15/10/288861510.db2.gz UDWWZQOZWDLBKW-WDEREUQCSA-N 1 0 333.344 1.048 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000290686330 288936646 /nfs/dbraw/zinc/93/66/46/288936646.db2.gz FAHBRVHEYGKTRP-CQSZACIVSA-N 1 0 348.403 1.648 20 5 EDBDRO Cc1c(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000291734825 289165355 /nfs/dbraw/zinc/16/53/55/289165355.db2.gz ADKXFNAABSVOHO-GXFFZTMASA-N 1 0 334.332 1.635 20 5 EDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292086590 289258167 /nfs/dbraw/zinc/25/81/67/289258167.db2.gz GGVCKKIUOFKQFN-SUMWQHHRSA-N 1 0 332.404 1.949 20 5 EDBDRO CCNC(=O)[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000293356808 289593933 /nfs/dbraw/zinc/59/39/33/289593933.db2.gz UHHBWJPBLMRDJM-HNNXBMFYSA-N 1 0 336.392 1.308 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261848251 295190796 /nfs/dbraw/zinc/19/07/96/295190796.db2.gz ZQKIWRRFEIYJRI-QWRGUYRKSA-N 1 0 343.405 1.351 20 5 EDBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000422869366 295273548 /nfs/dbraw/zinc/27/35/48/295273548.db2.gz WHUHBGZDWYSGTO-TZMCWYRMSA-N 1 0 348.403 1.289 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000262737617 297109701 /nfs/dbraw/zinc/10/97/01/297109701.db2.gz AVNFMJGSXLLOBO-PSASIEDQSA-N 1 0 333.797 1.525 20 5 EDBDRO COC[C@]1(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000418658637 304526773 /nfs/dbraw/zinc/52/67/73/304526773.db2.gz UGZWKQXCNBRZGA-MRXNPFEDSA-N 1 0 336.392 1.505 20 5 EDBDRO C[C@]1(F)C[NH2+]CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000420275638 304742010 /nfs/dbraw/zinc/74/20/10/304742010.db2.gz ZLSCAUCBWXOVIK-ZDUSSCGKSA-N 1 0 331.369 1.136 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000420425314 304756944 /nfs/dbraw/zinc/75/69/44/304756944.db2.gz RXUFLUOJOYPRSF-GXFFZTMASA-N 1 0 341.433 1.960 20 5 EDBDRO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000420441907 304758487 /nfs/dbraw/zinc/75/84/87/304758487.db2.gz PEZWXOQRXRMWIK-NKWVEPMBSA-N 1 0 341.311 1.628 20 5 EDBDRO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420462252 304760890 /nfs/dbraw/zinc/76/08/90/304760890.db2.gz SOVGFBMVGJNCNM-ZDUSSCGKSA-N 1 0 329.422 1.430 20 5 EDBDRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000420467964 304762024 /nfs/dbraw/zinc/76/20/24/304762024.db2.gz TZJOVTFONIZXOX-LLVKDONJSA-N 1 0 347.824 1.915 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000420476551 304763514 /nfs/dbraw/zinc/76/35/14/304763514.db2.gz IMCCFBUFVQAHPT-GXFFZTMASA-N 1 0 341.433 1.817 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000420481868 304763817 /nfs/dbraw/zinc/76/38/17/304763817.db2.gz SDZMWRUOYHWQHR-GXFFZTMASA-N 1 0 341.433 1.817 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420482468 304764109 /nfs/dbraw/zinc/76/41/09/304764109.db2.gz UJKZSVROXCAWBQ-ZWNOBZJWSA-N 1 0 341.433 1.817 20 5 EDBDRO CCCc1n[nH]c(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000295286813 303199486 /nfs/dbraw/zinc/19/94/86/303199486.db2.gz IFNDDFBQJFBZJE-LLVKDONJSA-N 1 0 335.408 1.827 20 5 EDBDRO COC(=O)Cc1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000297246885 303377463 /nfs/dbraw/zinc/37/74/63/303377463.db2.gz VDNZHUAMDMNXGW-AWEZNQCLSA-N 1 0 331.372 1.761 20 5 EDBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000377740094 447330216 /nfs/dbraw/zinc/33/02/16/447330216.db2.gz CLOBPTWCYIPYQQ-STQMWFEESA-N 1 0 341.371 1.462 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000320615310 303765104 /nfs/dbraw/zinc/76/51/04/303765104.db2.gz YVDMGNYVKQIWNS-JGVFFNPUSA-N 1 0 335.813 1.961 20 5 EDBDRO C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[NH2+]1 ZINC000423031049 304883630 /nfs/dbraw/zinc/88/36/30/304883630.db2.gz CTPAIEOZWZLIRZ-DOMZBBRYSA-N 1 0 341.433 1.489 20 5 EDBDRO CS[C@@H]1CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000425356549 304961741 /nfs/dbraw/zinc/96/17/41/304961741.db2.gz PMOIMDVJSBFKNL-CHWSQXEVSA-N 1 0 345.446 1.357 20 5 EDBDRO O=C(CN1CC[C@H]2[NH2+]CC[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000428033396 305004464 /nfs/dbraw/zinc/00/44/64/305004464.db2.gz MNPAOAZZAXCYDK-ZYHUDNBSSA-N 1 0 338.795 1.871 20 5 EDBDRO C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000428970809 305021241 /nfs/dbraw/zinc/02/12/41/305021241.db2.gz ZIJMCZNHIBKMAL-CHWSQXEVSA-N 1 0 343.387 1.898 20 5 EDBDRO Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)n(C2CC[NH+](C)CC2)n1 ZINC000430446618 305053496 /nfs/dbraw/zinc/05/34/96/305053496.db2.gz LJWQZNQLRULULW-UHFFFAOYSA-N 1 0 347.379 1.202 20 5 EDBDRO Cc1cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)n(C2CC[NH+](C)CC2)n1 ZINC000430481014 305054085 /nfs/dbraw/zinc/05/40/85/305054085.db2.gz DMACCPDCMROSKP-UHFFFAOYSA-N 1 0 347.379 1.202 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CCC(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000430608024 305058654 /nfs/dbraw/zinc/05/86/54/305058654.db2.gz DEPAGWCZWASNED-UHFFFAOYSA-N 1 0 336.392 1.603 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000430663947 305061756 /nfs/dbraw/zinc/06/17/56/305061756.db2.gz KQYFGMLZXVLKIB-ZDUSSCGKSA-N 1 0 348.403 1.824 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000430938016 305069355 /nfs/dbraw/zinc/06/93/55/305069355.db2.gz GLTCGUPFRZNKKC-TUAOUCFPSA-N 1 0 336.392 1.613 20 5 EDBDRO O=C(NCc1ccccc1[N+](=O)[O-])c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433388725 305107535 /nfs/dbraw/zinc/10/75/35/305107535.db2.gz JYAKWNIZUHWNJR-LBPRGKRZSA-N 1 0 330.348 1.041 20 5 EDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000434708143 305128804 /nfs/dbraw/zinc/12/88/04/305128804.db2.gz QOJVTTVACGYSHH-IAQYHMDHSA-N 1 0 343.387 1.866 20 5 EDBDRO C[N@@H+]1CCO[C@H]2CN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C[C@@H]21 ZINC000436399007 305156732 /nfs/dbraw/zinc/15/67/32/305156732.db2.gz BZLKSMRLWDMJSZ-QWRGUYRKSA-N 1 0 332.282 1.528 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000440831280 305213054 /nfs/dbraw/zinc/21/30/54/305213054.db2.gz ICWNDBABBRRNDA-VXGBXAGGSA-N 1 0 327.406 1.569 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000446395362 305264519 /nfs/dbraw/zinc/26/45/19/305264519.db2.gz CSNDZKIMEDCZEU-SRVKXCTJSA-N 1 0 338.412 1.213 20 5 EDBDRO C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)[NH+](C)C ZINC000448681490 305301429 /nfs/dbraw/zinc/30/14/29/305301429.db2.gz NGMFHACBWFDTGR-LLVKDONJSA-N 1 0 332.360 1.588 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000448915918 305303923 /nfs/dbraw/zinc/30/39/23/305303923.db2.gz FKIJBCSNIILVDV-SNVBAGLBSA-N 1 0 325.340 1.957 20 5 EDBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000451511754 305350274 /nfs/dbraw/zinc/35/02/74/305350274.db2.gz QMNKFGVFTGMDNK-SHPPOPEUSA-N 1 0 338.404 1.984 20 5 EDBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451773109 305368382 /nfs/dbraw/zinc/36/83/82/305368382.db2.gz MATAIANTFQRKOT-NEPJUHHUSA-N 1 0 335.360 1.855 20 5 EDBDRO CC(C)[NH+]1CCC(O)(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000492163790 305588191 /nfs/dbraw/zinc/58/81/91/305588191.db2.gz KEEKRQZKSUSTBR-VOTSOKGWSA-N 1 0 347.415 1.960 20 5 EDBDRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000515432479 305721794 /nfs/dbraw/zinc/72/17/94/305721794.db2.gz FJMDZSVWSMXWBF-MFKMUULPSA-N 1 0 325.390 1.206 20 5 EDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000518560852 305762653 /nfs/dbraw/zinc/76/26/53/305762653.db2.gz FIEAZRHOZFIYNR-LBPRGKRZSA-N 1 0 338.408 1.459 20 5 EDBDRO COc1cc(CN[C@H](C)C[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414930411 447360249 /nfs/dbraw/zinc/36/02/49/447360249.db2.gz OVGBMNMMXLQKSR-MRVPVSSYSA-N 1 0 337.298 1.981 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000543026067 306060170 /nfs/dbraw/zinc/06/01/70/306060170.db2.gz RKBCIBMQOHPEGN-LLVKDONJSA-N 1 0 335.360 1.390 20 5 EDBDRO C[C@H](CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000046408818 441106707 /nfs/dbraw/zinc/10/67/07/441106707.db2.gz YGTNGUKMXMFFRE-CYBMUJFWSA-N 1 0 348.403 1.315 20 5 EDBDRO Cn1cc(C(=O)NC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000047956905 441242536 /nfs/dbraw/zinc/24/25/36/441242536.db2.gz FBOCDGSVJKCOIO-UHFFFAOYSA-N 1 0 343.387 1.723 20 5 EDBDRO Cn1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1=O ZINC000072665096 441247354 /nfs/dbraw/zinc/24/73/54/441247354.db2.gz KVXBKRPJKYPXPD-ZDUSSCGKSA-N 1 0 329.360 1.375 20 5 EDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCN(CC[NH+]2CCCC2)CC1 ZINC000072904639 441275700 /nfs/dbraw/zinc/27/57/00/441275700.db2.gz DKGMTLIGHKJSDG-UHFFFAOYSA-N 1 0 332.404 1.448 20 5 EDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000107886842 441432750 /nfs/dbraw/zinc/43/27/50/441432750.db2.gz JXLJUWHFWJSJIE-ZDUSSCGKSA-N 1 0 343.387 1.852 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108406627 441452570 /nfs/dbraw/zinc/45/25/70/441452570.db2.gz YFVIQQLRDRDDAR-NSHDSACASA-N 1 0 343.405 1.224 20 5 EDBDRO C[N@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1[N+](=O)[O-] ZINC000052589592 441462571 /nfs/dbraw/zinc/46/25/71/441462571.db2.gz OEVYGVQRKBAMQK-UHFFFAOYSA-N 1 0 334.376 1.747 20 5 EDBDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000112549518 441550848 /nfs/dbraw/zinc/55/08/48/441550848.db2.gz SPFHBPQEDHNHOS-JQWIXIFHSA-N 1 0 344.375 1.426 20 5 EDBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000109706026 441502503 /nfs/dbraw/zinc/50/25/03/441502503.db2.gz OAMDWTRXLKEMRT-UHFFFAOYSA-N 1 0 331.394 1.399 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000415439441 447441423 /nfs/dbraw/zinc/44/14/23/447441423.db2.gz LUALRTZJIQUARS-VXGBXAGGSA-N 1 0 334.376 1.428 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000067274393 441622923 /nfs/dbraw/zinc/62/29/23/441622923.db2.gz LOWHRNGAQDYKER-CQSZACIVSA-N 1 0 344.375 1.342 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCO)CCc1ccccc1 ZINC000090549041 441633840 /nfs/dbraw/zinc/63/38/40/441633840.db2.gz UOJPHDHEEQVRHW-UHFFFAOYSA-N 1 0 331.372 1.294 20 5 EDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)C[NH+]1CCN(C)CC1 ZINC000114379675 441651212 /nfs/dbraw/zinc/65/12/12/441651212.db2.gz UVAXDZABLKKHDT-GFCCVEGCSA-N 1 0 338.383 1.347 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000067785458 441680089 /nfs/dbraw/zinc/68/00/89/441680089.db2.gz YJZDGRLECOYDIM-UHFFFAOYSA-N 1 0 342.355 1.961 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+](C)CC(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC000041895475 441681509 /nfs/dbraw/zinc/68/15/09/441681509.db2.gz KXVGRECDQYVXOG-UHFFFAOYSA-N 1 0 348.403 1.786 20 5 EDBDRO C[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)[N@@H+]1CCc2sccc2C1 ZINC000076677105 441674894 /nfs/dbraw/zinc/67/48/94/441674894.db2.gz JRQYLOFPBJUQNP-SECBINFHSA-N 1 0 334.405 1.887 20 5 EDBDRO Cc1c(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000042579180 441752373 /nfs/dbraw/zinc/75/23/73/441752373.db2.gz YKYLFDOJYLAJMN-QGZVFWFLSA-N 1 0 348.447 1.905 20 5 EDBDRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000115585889 441761966 /nfs/dbraw/zinc/76/19/66/441761966.db2.gz ISWKXJPMADFLEV-NSHDSACASA-N 1 0 345.396 1.696 20 5 EDBDRO O=C(NC1CC[NH+](Cc2ccccc2F)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000136895494 441730216 /nfs/dbraw/zinc/73/02/16/441730216.db2.gz WQOJGEAILFFPGH-UHFFFAOYSA-N 1 0 347.350 1.851 20 5 EDBDRO C[NH+](C)CC(=O)N1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116351113 441815582 /nfs/dbraw/zinc/81/55/82/441815582.db2.gz XQFVBMSCJDIUDK-UHFFFAOYSA-N 1 0 340.811 1.454 20 5 EDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000115717059 441773525 /nfs/dbraw/zinc/77/35/25/441773525.db2.gz QCVQGSPWAIQMOY-CYBMUJFWSA-N 1 0 348.403 1.125 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCCC1 ZINC000139413493 441814693 /nfs/dbraw/zinc/81/46/93/441814693.db2.gz UPOVLTREXBIQSK-UHFFFAOYSA-N 1 0 335.360 1.928 20 5 EDBDRO C[C@@H](NC(=O)NCC1(O)CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000077780093 441859813 /nfs/dbraw/zinc/85/98/13/441859813.db2.gz JPNJJLIGSUOTKF-GFCCVEGCSA-N 1 0 336.392 1.412 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000092741861 441824130 /nfs/dbraw/zinc/82/41/30/441824130.db2.gz IGEHUBMCNYVAPJ-YWPYICTPSA-N 1 0 339.417 1.651 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000139998789 441830030 /nfs/dbraw/zinc/83/00/30/441830030.db2.gz WNLAMHVTTMMRPE-ZFWWWQNUSA-N 1 0 332.404 1.949 20 5 EDBDRO Cc1nc(NC2CC[NH+](C3CCN(C)CC3)CC2)ncc1[N+](=O)[O-] ZINC000450289423 447442928 /nfs/dbraw/zinc/44/29/28/447442928.db2.gz BPVJQBPXJGBGHJ-UHFFFAOYSA-N 1 0 334.424 1.664 20 5 EDBDRO COc1cc(N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000125489162 442025704 /nfs/dbraw/zinc/02/57/04/442025704.db2.gz BDTOJYOWMQUGQY-GHMZBOCLSA-N 1 0 327.356 1.634 20 5 EDBDRO CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000152353773 442201170 /nfs/dbraw/zinc/20/11/70/442201170.db2.gz AVKGMWFWTMGBAY-CQSZACIVSA-N 1 0 346.431 1.758 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCC1CC[NH+](C)CC1 ZINC000120954180 442156673 /nfs/dbraw/zinc/15/66/73/442156673.db2.gz SRWNSWSWKGSXQO-UHFFFAOYSA-N 1 0 341.433 1.913 20 5 EDBDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000152850509 442247484 /nfs/dbraw/zinc/24/74/84/442247484.db2.gz GDKCUAPJSIXWIC-UHFFFAOYSA-N 1 0 332.316 1.601 20 5 EDBDRO Cc1nn(C)c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000128533421 442273151 /nfs/dbraw/zinc/27/31/51/442273151.db2.gz IVPQRIZEAWGVCA-LLVKDONJSA-N 1 0 337.424 1.877 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000128548339 442273414 /nfs/dbraw/zinc/27/34/14/442273414.db2.gz NVLFQOZZTSJNIK-PBHICJAKSA-N 1 0 333.388 1.821 20 5 EDBDRO CC[NH+]1CCN(CCC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000171261807 442335300 /nfs/dbraw/zinc/33/53/00/442335300.db2.gz RYSQNDOLIGPDAU-AWEZNQCLSA-N 1 0 334.420 1.800 20 5 EDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000130599280 442350902 /nfs/dbraw/zinc/35/09/02/442350902.db2.gz ZEFSPPTWXHXFOJ-LBPRGKRZSA-N 1 0 329.360 1.652 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)c1C ZINC000171628729 442364124 /nfs/dbraw/zinc/36/41/24/442364124.db2.gz PTAKWKXUEBCZCI-GFCCVEGCSA-N 1 0 341.433 1.960 20 5 EDBDRO C[C@H](Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000154809271 442357989 /nfs/dbraw/zinc/35/79/89/442357989.db2.gz RIDTYADYFKTAJV-MEDUHNTESA-N 1 0 348.403 1.618 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178093376 442407288 /nfs/dbraw/zinc/40/72/88/442407288.db2.gz PRYVMFLFDGYCPJ-CQSZACIVSA-N 1 0 349.387 1.154 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172415880 442457289 /nfs/dbraw/zinc/45/72/89/442457289.db2.gz GQKABOXRWJCKMK-UHFFFAOYSA-N 1 0 348.403 1.233 20 5 EDBDRO CC(C)(CC(N)=O)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000186252218 442496418 /nfs/dbraw/zinc/49/64/18/442496418.db2.gz AAVFYPVJFDKLRN-UHFFFAOYSA-N 1 0 328.756 1.430 20 5 EDBDRO CCOC(=O)C1(NC(=O)c2ccccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000134323864 442470584 /nfs/dbraw/zinc/47/05/84/442470584.db2.gz JSTSRZOCRNLNAR-UHFFFAOYSA-N 1 0 335.360 1.352 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000186165697 442476579 /nfs/dbraw/zinc/47/65/79/442476579.db2.gz UZTNFURKZFSYSS-OKFGHLOFSA-N 1 0 346.431 1.750 20 5 EDBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000178951053 442535782 /nfs/dbraw/zinc/53/57/82/442535782.db2.gz VNNJUTDDHOUGOU-CYBMUJFWSA-N 1 0 343.449 1.787 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000191870468 442529002 /nfs/dbraw/zinc/52/90/02/442529002.db2.gz QOTLHOBCCXIQLK-UHFFFAOYSA-N 1 0 341.433 1.976 20 5 EDBDRO C[C@@H]1C[N@@H+](CCCNC(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000173010837 442583966 /nfs/dbraw/zinc/58/39/66/442583966.db2.gz XPYGJPUYLMLTBA-OKILXGFUSA-N 1 0 335.404 1.753 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000173022279 442588221 /nfs/dbraw/zinc/58/82/21/442588221.db2.gz NSNPCBIBUJQGDJ-GFCCVEGCSA-N 1 0 339.417 1.666 20 5 EDBDRO CC(=O)N[C@H]1CCCN(C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000180423341 442600200 /nfs/dbraw/zinc/60/02/00/442600200.db2.gz UYIROAYZNAQFCQ-DOMZBBRYSA-N 1 0 348.403 1.373 20 5 EDBDRO Cn1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(=O)n(C)c1=O ZINC000179317830 442620250 /nfs/dbraw/zinc/62/02/50/442620250.db2.gz XETZFQPHYJBUQO-UHFFFAOYSA-N 1 0 344.371 1.157 20 5 EDBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000193265055 442727221 /nfs/dbraw/zinc/72/72/21/442727221.db2.gz UAQJLTDHIAIFGK-ZDUSSCGKSA-N 1 0 341.433 1.974 20 5 EDBDRO C[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246627562 442797994 /nfs/dbraw/zinc/79/79/94/442797994.db2.gz KEIQQFSFDMMSMN-CHWSQXEVSA-N 1 0 338.412 1.211 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193613082 442759574 /nfs/dbraw/zinc/75/95/74/442759574.db2.gz VTGKYMBTIMCVMD-RWMBFGLXSA-N 1 0 348.403 1.424 20 5 EDBDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000193647583 442763811 /nfs/dbraw/zinc/76/38/11/442763811.db2.gz KTVUDWMMTTWUSJ-ZBEGNZNMSA-N 1 0 344.371 1.907 20 5 EDBDRO C[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CC(C)(C)O ZINC000188647913 442778903 /nfs/dbraw/zinc/77/89/03/442778903.db2.gz MVWIJLFZIBTPAK-MRZGDXHCSA-N 1 0 347.415 1.912 20 5 EDBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000182550154 442785029 /nfs/dbraw/zinc/78/50/29/442785029.db2.gz BCCKCCZZQFXZCP-CYBMUJFWSA-N 1 0 331.376 1.428 20 5 EDBDRO CCOC(=O)c1ccnc(N[C@H](C)CN2CCOCC2)c1[N+](=O)[O-] ZINC000265559198 442823652 /nfs/dbraw/zinc/82/36/52/442823652.db2.gz IWPJULKERSWNJR-LLVKDONJSA-N 1 0 338.364 1.299 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H]2CCN(C)C2=O)cccc1[N+](=O)[O-] ZINC000265643749 442859885 /nfs/dbraw/zinc/85/98/85/442859885.db2.gz KSMYZLJOFDCTCH-AWEZNQCLSA-N 1 0 334.376 1.394 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000268221746 442905591 /nfs/dbraw/zinc/90/55/91/442905591.db2.gz JMRBMBAVYPSWPX-AAEUAGOBSA-N 1 0 327.406 1.474 20 5 EDBDRO COc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000294640725 318616267 /nfs/dbraw/zinc/61/62/67/318616267.db2.gz QNJABKPNOFXKLG-SNVBAGLBSA-N 1 0 325.340 1.909 20 5 EDBDRO C[NH+](C)CCN(Cc1ccccc1F)c1ncc([N+](=O)[O-])c(N)n1 ZINC000268331337 442951060 /nfs/dbraw/zinc/95/10/60/442951060.db2.gz PTIWGHWIGDGIBQ-UHFFFAOYSA-N 1 0 334.355 1.674 20 5 EDBDRO COCCC[N@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000189911344 443028232 /nfs/dbraw/zinc/02/82/32/443028232.db2.gz OSLJHMMDBVQMHZ-UHFFFAOYSA-N 1 0 343.355 1.393 20 5 EDBDRO CC(C)[NH+]1CCC(O)(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000268472471 443001333 /nfs/dbraw/zinc/00/13/33/443001333.db2.gz JOOPXQKUQKNQRK-UHFFFAOYSA-N 1 0 336.392 1.952 20 5 EDBDRO Cc1nc(N(C)C2CC[NH+](CCn3cccn3)CC2)ncc1[N+](=O)[O-] ZINC000297040097 318744964 /nfs/dbraw/zinc/74/49/64/318744964.db2.gz HURMGPDUGBAZQA-UHFFFAOYSA-N 1 0 345.407 1.491 20 5 EDBDRO C[NH+]1CCN(CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000298069671 318782630 /nfs/dbraw/zinc/78/26/30/318782630.db2.gz BKCDQDCPVSJVOS-UHFFFAOYSA-N 1 0 331.376 1.053 20 5 EDBDRO C[NH+](C)CC1(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC1 ZINC000185097247 443135361 /nfs/dbraw/zinc/13/53/61/443135361.db2.gz NDHWVKKXEOLMNF-UHFFFAOYSA-N 1 0 341.433 1.995 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](CCO)c2ccco2)c1 ZINC000185102749 443137105 /nfs/dbraw/zinc/13/71/05/443137105.db2.gz UDFZTKHNHFOXQI-HIFRSBDPSA-N 1 0 336.344 1.641 20 5 EDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000255524618 443101442 /nfs/dbraw/zinc/10/14/42/443101442.db2.gz BHCDRKIGBCAHMA-CGQZWFTASA-N 1 0 347.415 1.961 20 5 EDBDRO CO[C@H]1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000261875149 443172395 /nfs/dbraw/zinc/17/23/95/443172395.db2.gz LVLQQDJIKWGDGW-NEPJUHHUSA-N 1 0 343.405 1.030 20 5 EDBDRO C[C@@H](C[NH3+])N(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000237487876 443173854 /nfs/dbraw/zinc/17/38/54/443173854.db2.gz IPQFEVWNAHDLLI-LURJTMIESA-N 1 0 342.204 1.869 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185152962 443149063 /nfs/dbraw/zinc/14/90/63/443149063.db2.gz QIJVJHWSMKWWGL-QGZVFWFLSA-N 1 0 349.387 1.723 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)c([N+](=O)[O-])cc1OC ZINC000326578119 318945399 /nfs/dbraw/zinc/94/53/99/318945399.db2.gz AJNLYNRWQDNXNL-HFBDOXOYSA-N 1 0 337.376 1.728 20 5 EDBDRO [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000327753223 318946657 /nfs/dbraw/zinc/94/66/57/318946657.db2.gz NACWXHGGVSTEEW-HIFRSBDPSA-N 1 0 347.419 1.546 20 5 EDBDRO Cc1ccc(NCCCNC(=O)C[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC000269207314 443233419 /nfs/dbraw/zinc/23/34/19/443233419.db2.gz DSKBSTPKIMQHML-ZDUSSCGKSA-N 1 0 336.392 1.200 20 5 EDBDRO CCc1[nH]nc(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)c1[N+](=O)[O-] ZINC000351239967 319097995 /nfs/dbraw/zinc/09/79/95/319097995.db2.gz IBLOAIDCUFQSJA-BMIGLBTASA-N 1 0 348.363 1.856 20 5 EDBDRO CC(C)[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@@H](C)[NH3+] ZINC000399520446 319137555 /nfs/dbraw/zinc/13/75/55/319137555.db2.gz OLBYSYLCMGEULQ-CJNGLKHVSA-N 1 0 334.420 1.863 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCN(C)C(=O)C1 ZINC000191146681 443248367 /nfs/dbraw/zinc/24/83/67/443248367.db2.gz HWMKMMQGIDKHOA-UHFFFAOYSA-N 1 0 334.376 1.396 20 5 EDBDRO COc1cc(C(=O)N[C@@](C)(C[NH3+])C(C)C)cc([N+](=O)[O-])c1OC ZINC000269256207 443254168 /nfs/dbraw/zinc/25/41/68/443254168.db2.gz HQLSCVUNXSQSOQ-HNNXBMFYSA-N 1 0 325.365 1.715 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000414654861 319336988 /nfs/dbraw/zinc/33/69/88/319336988.db2.gz JTRVBNFSPBUPAR-UHFFFAOYSA-N 1 0 337.380 1.020 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000414661050 319337997 /nfs/dbraw/zinc/33/79/97/319337997.db2.gz WMPXJWDSHSZTSL-NWDGAFQWSA-N 1 0 338.364 1.573 20 5 EDBDRO Cc1c(NC(=O)C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000415809801 319371933 /nfs/dbraw/zinc/37/19/33/319371933.db2.gz NLRKJPNRNMIBAX-RYUDHWBXSA-N 1 0 334.376 1.475 20 5 EDBDRO O=C(CC[N@@H+]1CCc2ccccc2C1)NCCn1cc([N+](=O)[O-])cn1 ZINC000416175391 319398525 /nfs/dbraw/zinc/39/85/25/319398525.db2.gz HYCDSYBMFSSYHI-UHFFFAOYSA-N 1 0 343.387 1.356 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000272630078 443388690 /nfs/dbraw/zinc/38/86/90/443388690.db2.gz NCCONWZDFZFQQK-QMTHXVAHSA-N 1 0 329.360 1.637 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000419276129 319580683 /nfs/dbraw/zinc/58/06/83/319580683.db2.gz STICVYRVNVNLEW-DYEKYZERSA-N 1 0 348.403 1.195 20 5 EDBDRO Cc1c(NC(=O)[C@@H](C)N2CCCO[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000420398076 319616407 /nfs/dbraw/zinc/61/64/07/319616407.db2.gz YJAQLZCYOOWASN-OLZOCXBDSA-N 1 0 336.392 1.280 20 5 EDBDRO CC(C)NC(=O)c1ccc(NC[C@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000264787341 443424827 /nfs/dbraw/zinc/42/48/27/443424827.db2.gz RVXSBDIJAQHICG-AWEZNQCLSA-N 1 0 349.435 1.391 20 5 EDBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000278864355 443466546 /nfs/dbraw/zinc/46/65/46/443466546.db2.gz NMPWMLRBEFIOMI-ZDUSSCGKSA-N 1 0 333.388 1.920 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423562113 319785819 /nfs/dbraw/zinc/78/58/19/319785819.db2.gz MPSVDNISQNOSFZ-UHFFFAOYSA-N 1 0 332.360 1.196 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@H]2CCO)cc1 ZINC000279369881 443566375 /nfs/dbraw/zinc/56/63/75/443566375.db2.gz WZLCULUGCUOIAQ-SWLSCSKDSA-N 1 0 342.417 1.509 20 5 EDBDRO CN(C)c1cc(F)c(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000279257863 443542460 /nfs/dbraw/zinc/54/24/60/443542460.db2.gz UOZMGJFMAPKQST-NSHDSACASA-N 1 0 338.383 1.966 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000273125535 443543642 /nfs/dbraw/zinc/54/36/42/443543642.db2.gz YXHAAKXAINONPC-WFASDCNBSA-N 1 0 348.403 1.042 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC2=CC[N@H+](C)CC2)c1C ZINC000272185600 443550976 /nfs/dbraw/zinc/55/09/76/443550976.db2.gz DPJMAVYFEMXTSS-UHFFFAOYSA-N 1 0 339.417 1.752 20 5 EDBDRO C[C@H](CN1CCOCC1)N(C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000279803971 443630211 /nfs/dbraw/zinc/63/02/11/443630211.db2.gz WZIZIHCXEUCSEY-CYBMUJFWSA-N 1 0 336.392 1.186 20 5 EDBDRO COc1cccc(N2CCN(C)[C@@H](c3nccn3C)C2)c1[N+](=O)[O-] ZINC000280139340 443671237 /nfs/dbraw/zinc/67/12/37/443671237.db2.gz BTJCOWFBTLYNFM-CYBMUJFWSA-N 1 0 331.376 1.830 20 5 EDBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000450387853 320218494 /nfs/dbraw/zinc/21/84/94/320218494.db2.gz KAAMEAJACCDFAS-JKSUJKDBSA-N 1 0 344.371 1.671 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452389480 320248665 /nfs/dbraw/zinc/24/86/65/320248665.db2.gz LZOKUBXMYQTWRA-ZDUSSCGKSA-N 1 0 337.376 1.180 20 5 EDBDRO CC(C)[C@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487983556 320357149 /nfs/dbraw/zinc/35/71/49/320357149.db2.gz VVWSKDHHNBAOCP-GOEBONIOSA-N 1 0 337.420 1.607 20 5 EDBDRO CN(CC1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276294580 443682968 /nfs/dbraw/zinc/68/29/68/443682968.db2.gz MILHMYZECLILPM-UHFFFAOYSA-N 1 0 341.433 1.919 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000281021314 443797890 /nfs/dbraw/zinc/79/78/90/443797890.db2.gz PPUXOVDOFITMBI-ZDUSSCGKSA-N 1 0 335.408 1.855 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000288246888 443819077 /nfs/dbraw/zinc/81/90/77/443819077.db2.gz FYFCMUIUSBQFSO-UHFFFAOYSA-N 1 0 343.387 1.593 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000285082107 443848373 /nfs/dbraw/zinc/84/83/73/443848373.db2.gz DAOCEGLXXSYBDA-ZIAGYGMSSA-N 1 0 339.779 1.793 20 5 EDBDRO CC(C)NS(=O)(=O)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285170918 443882335 /nfs/dbraw/zinc/88/23/35/443882335.db2.gz MXFCWANSAYPECZ-SNVBAGLBSA-N 1 0 330.410 1.155 20 5 EDBDRO CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285170914 443882363 /nfs/dbraw/zinc/88/23/63/443882363.db2.gz MXFCWANSAYPECZ-JTQLQIEISA-N 1 0 330.410 1.155 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000285180789 443885883 /nfs/dbraw/zinc/88/58/83/443885883.db2.gz VKBRNRNFPNJUDB-CVEARBPZSA-N 1 0 349.387 1.599 20 5 EDBDRO COc1cc(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000285209586 443896191 /nfs/dbraw/zinc/89/61/91/443896191.db2.gz WYLNXCGVFCLBAN-KGLIPLIRSA-N 1 0 325.340 1.652 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)C[NH+](C)C ZINC000292842450 443857422 /nfs/dbraw/zinc/85/74/22/443857422.db2.gz ZYXXABPIDWHZPP-JTQLQIEISA-N 1 0 331.394 1.079 20 5 EDBDRO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)[NH+](C)C ZINC000277206668 443936839 /nfs/dbraw/zinc/93/68/39/443936839.db2.gz YNTGIVMKPNPNFA-SNVBAGLBSA-N 1 0 346.409 1.139 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000299071924 443946026 /nfs/dbraw/zinc/94/60/26/443946026.db2.gz PHLAKCDMYQYBBT-LSDHHAIUSA-N 1 0 339.417 1.641 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)CCOc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000285227975 443903160 /nfs/dbraw/zinc/90/31/60/443903160.db2.gz KKOAPCSXNGVTEE-GDBMZVCRSA-N 1 0 349.387 1.295 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000285260567 443915780 /nfs/dbraw/zinc/91/57/80/443915780.db2.gz MKQYPGVGOHQLDG-HZPDHXFCSA-N 1 0 349.387 1.539 20 5 EDBDRO CC(C)[NH+]1CCC(N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000299466510 444053670 /nfs/dbraw/zinc/05/36/70/444053670.db2.gz AHYNGGFYBOSPKG-UHFFFAOYSA-N 1 0 336.392 1.088 20 5 EDBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000277593810 444012374 /nfs/dbraw/zinc/01/23/74/444012374.db2.gz WADYPSGQQVMDOL-OAHLLOKOSA-N 1 0 346.387 1.666 20 5 EDBDRO COc1cc(C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)cc([N+](=O)[O-])c1C ZINC000616392634 450410002 /nfs/dbraw/zinc/41/00/02/450410002.db2.gz CRYAGZJSTNOOIL-XHDPSFHLSA-N 1 0 337.376 1.361 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O ZINC000289199466 444075613 /nfs/dbraw/zinc/07/56/13/444075613.db2.gz BFWYIAHRGHOETQ-PBHICJAKSA-N 1 0 346.387 1.856 20 5 EDBDRO CC(=O)N1CCC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000564864838 321153284 /nfs/dbraw/zinc/15/32/84/321153284.db2.gz UDQIULZGCXKIAB-AWEZNQCLSA-N 1 0 348.403 1.772 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCOc2ccccc2Cl)c1 ZINC000565300613 321180404 /nfs/dbraw/zinc/18/04/04/321180404.db2.gz XFXITYATPLDFMT-GFCCVEGCSA-N 1 0 340.767 1.474 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278106381 444097041 /nfs/dbraw/zinc/09/70/41/444097041.db2.gz RHMHNTGTQLTERO-GFCCVEGCSA-N 1 0 346.391 1.755 20 5 EDBDRO Cn1c(C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)ccc1[N+](=O)[O-] ZINC000567842511 321261897 /nfs/dbraw/zinc/26/18/97/321261897.db2.gz QQERIIBCTMNUCS-TZMCWYRMSA-N 1 0 336.392 1.292 20 5 EDBDRO COCC[N@H+](C)C[C@@H](O)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000568532157 321296103 /nfs/dbraw/zinc/29/61/03/321296103.db2.gz AGJHDYBGFCNTAH-CQSZACIVSA-N 1 0 334.376 1.397 20 5 EDBDRO COCC[N@H+](C)C[C@H](O)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000568532156 321296192 /nfs/dbraw/zinc/29/61/92/321296192.db2.gz AGJHDYBGFCNTAH-AWEZNQCLSA-N 1 0 334.376 1.397 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC[C@H]2CCc3ccccc32)c1 ZINC000568873061 321309468 /nfs/dbraw/zinc/30/94/68/321309468.db2.gz JOSDIXSNIJMRLH-GDBMZVCRSA-N 1 0 330.388 1.862 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NC[C@@H](C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000571195597 321375944 /nfs/dbraw/zinc/37/59/44/321375944.db2.gz AZZKZPFCNCPHDU-CYBMUJFWSA-N 1 0 348.403 1.234 20 5 EDBDRO COc1ccc(Cl)cc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000571364415 321384179 /nfs/dbraw/zinc/38/41/79/321384179.db2.gz VSQNDYSRRLXLFM-ZDUSSCGKSA-N 1 0 340.767 1.604 20 5 EDBDRO O=C(NCCC[NH2+]C1CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000571443288 321387203 /nfs/dbraw/zinc/38/72/03/321387203.db2.gz ARFLZUZIMVBAFL-UHFFFAOYSA-N 1 0 329.360 1.652 20 5 EDBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000278354532 444145291 /nfs/dbraw/zinc/14/52/91/444145291.db2.gz BAEOJIBFXIZFTH-GFCCVEGCSA-N 1 0 339.367 1.965 20 5 EDBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000289833104 444209150 /nfs/dbraw/zinc/20/91/50/444209150.db2.gz QIMBCOAAOROLSW-STQMWFEESA-N 1 0 341.371 1.462 20 5 EDBDRO Cc1cc(F)c(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000296195389 444211924 /nfs/dbraw/zinc/21/19/24/444211924.db2.gz COHKXAVHYCOWPG-SNVBAGLBSA-N 1 0 338.339 1.143 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000289634479 444184123 /nfs/dbraw/zinc/18/41/23/444184123.db2.gz CVHMPPZUUCHNKJ-UHFFFAOYSA-N 1 0 341.387 1.739 20 5 EDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000302980976 444232562 /nfs/dbraw/zinc/23/25/62/444232562.db2.gz HRUUHQUWONXNNZ-VXGBXAGGSA-N 1 0 336.392 1.793 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290632957 444303638 /nfs/dbraw/zinc/30/36/38/444303638.db2.gz QRILMBVFLHZEQT-RYUDHWBXSA-N 1 0 326.356 1.825 20 5 EDBDRO CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000290712424 444313945 /nfs/dbraw/zinc/31/39/45/444313945.db2.gz XRJSUQMQPOIUKI-JTQLQIEISA-N 1 0 330.410 1.384 20 5 EDBDRO C[NH+](C)[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000290523910 444291469 /nfs/dbraw/zinc/29/14/69/444291469.db2.gz GQYHJONCYPCHEF-ZDUSSCGKSA-N 1 0 347.350 1.943 20 5 EDBDRO COc1ccc(S(=O)(=O)N(C)[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000323321206 444342604 /nfs/dbraw/zinc/34/26/04/444342604.db2.gz SEGDPRZEJPWFCU-LLVKDONJSA-N 1 0 343.405 1.366 20 5 EDBDRO CC[N@@H+]1CCCC[C@H]1CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000340017451 444354692 /nfs/dbraw/zinc/35/46/92/444354692.db2.gz XUSLRTLGEXXEOV-LBPRGKRZSA-N 1 0 336.392 2.371 20 5 EDBDRO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000325079576 444361426 /nfs/dbraw/zinc/36/14/26/444361426.db2.gz YIJFLSPDKORCIU-GXTWGEPZSA-N 1 0 333.392 1.013 20 5 EDBDRO Cc1cc(N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000327200408 444381590 /nfs/dbraw/zinc/38/15/90/444381590.db2.gz HSJOBXRJSWGXEG-HOCLYGCPSA-N 1 0 346.431 1.988 20 5 EDBDRO O=C1COc2cc([N+](=O)[O-])c(NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2N1 ZINC000327488237 444383107 /nfs/dbraw/zinc/38/31/07/444383107.db2.gz XMKJXONLQJBKMG-GHMZBOCLSA-N 1 0 348.359 1.201 20 5 EDBDRO Cc1c(F)cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000331085404 444388423 /nfs/dbraw/zinc/38/84/23/444388423.db2.gz ZRBMCWGKJOCCFG-SNVBAGLBSA-N 1 0 331.369 1.367 20 5 EDBDRO CCCC[NH+]1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000580640516 322077014 /nfs/dbraw/zinc/07/70/14/322077014.db2.gz BLNPINCWCRGLGA-OAHLLOKOSA-N 1 0 325.413 1.006 20 5 EDBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000580641827 322077137 /nfs/dbraw/zinc/07/71/37/322077137.db2.gz VGGGQANWEXFXJC-YNEHKIRRSA-N 1 0 338.360 1.266 20 5 EDBDRO COC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000342300193 444618806 /nfs/dbraw/zinc/61/88/06/444618806.db2.gz CKDCCKHTAQXPAJ-HUUCEWRRSA-N 1 0 338.339 1.269 20 5 EDBDRO C[C@H]([NH2+][C@@H]1CCC(=O)NC1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000338599000 444767786 /nfs/dbraw/zinc/76/77/86/444767786.db2.gz RDZJLTNMTAAHQQ-GXFFZTMASA-N 1 0 334.376 1.569 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@H](C)CCCC[NH3+])c([N+](=O)[O-])c1 ZINC000336867523 444811709 /nfs/dbraw/zinc/81/17/09/444811709.db2.gz RNUBQGRAGHBGLE-SNVBAGLBSA-N 1 0 331.394 1.399 20 5 EDBDRO CN(C)C(=O)C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000341510247 444868847 /nfs/dbraw/zinc/86/88/47/444868847.db2.gz ZPDXETBCIFJFAC-OAHLLOKOSA-N 1 0 331.376 1.601 20 5 EDBDRO O=C(NCCNc1cc[nH+]cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000336993352 444891252 /nfs/dbraw/zinc/89/12/52/444891252.db2.gz MPCUYJDHZGYJEU-UHFFFAOYSA-N 1 0 325.328 1.735 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000344440834 444973270 /nfs/dbraw/zinc/97/32/70/444973270.db2.gz YITSPGIDKGYBGW-AAEUAGOBSA-N 1 0 334.376 1.441 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCOCC[NH+](C)C ZINC000342916045 444939595 /nfs/dbraw/zinc/93/95/95/444939595.db2.gz HLUHNCQFTOFOJK-UHFFFAOYSA-N 1 0 325.365 1.680 20 5 EDBDRO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339026443 444994619 /nfs/dbraw/zinc/99/46/19/444994619.db2.gz YVRDFZVDBVZXAM-QWRGUYRKSA-N 1 0 340.405 1.281 20 5 EDBDRO CC(C)OC[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000337281509 445014381 /nfs/dbraw/zinc/01/43/81/445014381.db2.gz HVRWBMZGMPLGRR-LBPRGKRZSA-N 1 0 330.406 1.772 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000330587294 445048192 /nfs/dbraw/zinc/04/81/92/445048192.db2.gz MEDICGJLTRDJJC-RYUDHWBXSA-N 1 0 336.392 1.566 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2OC(F)F)c1 ZINC000337383881 445056855 /nfs/dbraw/zinc/05/68/55/445056855.db2.gz FBYFISYIRMJBCT-UTUOFQBUSA-N 1 0 334.323 1.292 20 5 EDBDRO CCOC[C@@H](O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000344555754 445057138 /nfs/dbraw/zinc/05/71/38/445057138.db2.gz RZSRGOFIQRUEJO-HNNXBMFYSA-N 1 0 334.376 1.482 20 5 EDBDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(=O)NCCF ZINC000337545562 445130464 /nfs/dbraw/zinc/13/04/64/445130464.db2.gz LLVHJNIAXKLYGT-SRVKXCTJSA-N 1 0 327.360 1.339 20 5 EDBDRO C[N@@H+]1CCO[C@@H]2CCN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@H]21 ZINC000343279553 445175402 /nfs/dbraw/zinc/17/54/02/445175402.db2.gz JIVGNYADOMFMRB-ZIAGYGMSSA-N 1 0 329.360 1.447 20 5 EDBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000354507004 445269798 /nfs/dbraw/zinc/26/97/98/445269798.db2.gz NUMFXZUUNHDPHF-SNVBAGLBSA-N 1 0 340.355 1.517 20 5 EDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1C[C@@H](F)CN1c1ccncn1 ZINC000348182808 445307861 /nfs/dbraw/zinc/30/78/61/445307861.db2.gz RQXBKSDVEWPXOJ-OLZOCXBDSA-N 1 0 349.370 1.130 20 5 EDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000348189137 445310789 /nfs/dbraw/zinc/31/07/89/445310789.db2.gz WKSLNTGQUNXUNV-JSGCOSHPSA-N 1 0 334.376 1.346 20 5 EDBDRO C[NH+]1CCN(C[C@@H](O)COc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000348127456 445282252 /nfs/dbraw/zinc/28/22/52/445282252.db2.gz SABMGKMFODDBQI-GFCCVEGCSA-N 1 0 329.784 1.235 20 5 EDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000348146440 445288628 /nfs/dbraw/zinc/28/86/28/445288628.db2.gz FGYYPPYTKSSPGS-KBPBESRZSA-N 1 0 334.376 1.428 20 5 EDBDRO CSc1ccc(C(=O)NCC2(O)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000354707867 445346815 /nfs/dbraw/zinc/34/68/15/445346815.db2.gz AFJRAVGXBCUFFI-UHFFFAOYSA-N 1 0 339.417 1.503 20 5 EDBDRO COc1c(C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)cccc1[N+](=O)[O-] ZINC000356986669 445362263 /nfs/dbraw/zinc/36/22/63/445362263.db2.gz QOAZLVFYCCDKMD-GFCCVEGCSA-N 1 0 337.376 1.132 20 5 EDBDRO CC(=O)N1CCC([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000354641006 445324524 /nfs/dbraw/zinc/32/45/24/445324524.db2.gz ZOVXZDZRVKDRPA-NSHDSACASA-N 1 0 334.376 1.522 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H](C)C[NH+](C)C ZINC000355728153 445475346 /nfs/dbraw/zinc/47/53/46/445475346.db2.gz DOYXMWTUYLCKIT-JQWIXIFHSA-N 1 0 340.428 1.141 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000362575806 445447468 /nfs/dbraw/zinc/44/74/68/445447468.db2.gz LMEILRZTKKNWBM-CQSZACIVSA-N 1 0 327.331 1.872 20 5 EDBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357180828 445470206 /nfs/dbraw/zinc/47/02/06/445470206.db2.gz BUVVETBRHQSOCD-FRRDWIJNSA-N 1 0 347.419 1.930 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c1C ZINC000353492965 445627752 /nfs/dbraw/zinc/62/77/52/445627752.db2.gz MSMYZKCPADMQRK-WDEREUQCSA-N 1 0 327.406 1.583 20 5 EDBDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000353623818 445680805 /nfs/dbraw/zinc/68/08/05/445680805.db2.gz SCBVMHSHFRHMPR-STQMWFEESA-N 1 0 341.433 1.897 20 5 EDBDRO Cc1ccnc(NC[C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000363135492 445691518 /nfs/dbraw/zinc/69/15/18/445691518.db2.gz VNKJRDPKDZXSAR-AWEZNQCLSA-N 1 0 330.392 1.929 20 5 EDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2CC[C@@H](CO)O2)c1 ZINC000353693776 445711535 /nfs/dbraw/zinc/71/15/35/445711535.db2.gz XXDUCYHGKLLIBI-NEPJUHHUSA-N 1 0 332.303 1.826 20 5 EDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000353960048 445829226 /nfs/dbraw/zinc/82/92/26/445829226.db2.gz MMOQDKMXGXYZKP-LBPRGKRZSA-N 1 0 331.376 1.851 20 5 EDBDRO C[C@H]1CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1[NH+](C)C ZINC000358837413 445802416 /nfs/dbraw/zinc/80/24/16/445802416.db2.gz XRFPWSLOVAGVFP-WFASDCNBSA-N 1 0 348.403 1.775 20 5 EDBDRO CC1CC[NH+](CC2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)CC1 ZINC000363464340 445814492 /nfs/dbraw/zinc/81/44/92/445814492.db2.gz BRIAKMMHUYDFRW-UHFFFAOYSA-N 1 0 334.424 1.915 20 5 EDBDRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000350559693 445849973 /nfs/dbraw/zinc/84/99/73/445849973.db2.gz OTHTUMYERSXXFH-UHFFFAOYSA-N 1 0 330.348 1.107 20 5 EDBDRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000359139097 445976020 /nfs/dbraw/zinc/97/60/20/445976020.db2.gz VOTIPFKTVBLLQR-UHFFFAOYSA-N 1 0 332.360 1.549 20 5 EDBDRO CO[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H](C[NH3+])C1 ZINC000359219117 446048424 /nfs/dbraw/zinc/04/84/24/446048424.db2.gz HVBINODDXFZKQP-CHWSQXEVSA-N 1 0 333.344 1.919 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373061429 446000843 /nfs/dbraw/zinc/00/08/43/446000843.db2.gz ZBGCJURQWPRNDR-NWDGAFQWSA-N 1 0 325.390 1.276 20 5 EDBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1csc([N+](=O)[O-])c1 ZINC000366190578 446071743 /nfs/dbraw/zinc/07/17/43/446071743.db2.gz HOLAJOCLQKLWDF-LBPRGKRZSA-N 1 0 325.390 1.639 20 5 EDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351526434 446127879 /nfs/dbraw/zinc/12/78/79/446127879.db2.gz WTFOQCBLCYJJOF-OAHLLOKOSA-N 1 0 348.403 1.200 20 5 EDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000362022608 446159528 /nfs/dbraw/zinc/15/95/28/446159528.db2.gz HACGGJDPKNIAJJ-GXTWGEPZSA-N 1 0 337.376 1.625 20 5 EDBDRO Cn1cc(C(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000359394765 446196270 /nfs/dbraw/zinc/19/62/70/446196270.db2.gz REEFSXPEEUBLHP-STQMWFEESA-N 1 0 341.371 1.287 20 5 EDBDRO O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12)N1CC[NH2+]CC1 ZINC000370368470 446249590 /nfs/dbraw/zinc/24/95/90/446249590.db2.gz UJEPJJVSAFFCKZ-RDJZCZTQSA-N 1 0 344.415 1.558 20 5 EDBDRO CN1CCC[C@@]2(CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000370409856 446265689 /nfs/dbraw/zinc/26/56/89/446265689.db2.gz JKGRQYVPVGPNHY-KRWDZBQOSA-N 1 0 333.388 1.918 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[N@H+](CC(C)(C)O)CC1 ZINC000366767139 446341300 /nfs/dbraw/zinc/34/13/00/446341300.db2.gz LGPBGKJJXLCERI-UHFFFAOYSA-N 1 0 337.420 1.882 20 5 EDBDRO CN(c1ncc([N+](=O)[O-])c(N)n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000374214651 446357910 /nfs/dbraw/zinc/35/79/10/446357910.db2.gz WQNWHJLBXNAFBG-UHFFFAOYSA-N 1 0 342.403 2.068 20 5 EDBDRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000374297674 446361432 /nfs/dbraw/zinc/36/14/32/446361432.db2.gz SOPZFNRQPCMADK-UHFFFAOYSA-N 1 0 339.417 1.844 20 5 EDBDRO C[NH+]1CCC(CC(=O)N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000365859046 446373623 /nfs/dbraw/zinc/37/36/23/446373623.db2.gz XBTMHWYCJVBYNR-CQSZACIVSA-N 1 0 335.408 1.687 20 5 EDBDRO COC(=O)c1cc(C)nc(NC[C@H]2CC[C@H](C[NH3+])CC2)c1[N+](=O)[O-] ZINC000420252415 446433289 /nfs/dbraw/zinc/43/32/89/446433289.db2.gz AUZZYWOWVALKBO-TXEJJXNPSA-N 1 0 336.392 2.262 20 5 EDBDRO CC[NH2+][C@H](C)CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000420250922 446433819 /nfs/dbraw/zinc/43/38/19/446433819.db2.gz UPLNWYFFZYCSMR-GFCCVEGCSA-N 1 0 336.392 1.477 20 5 EDBDRO NS(=O)(=O)c1ccc(NCCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000420271617 446443287 /nfs/dbraw/zinc/44/32/87/446443287.db2.gz KGSWHMBVOLROAH-SNVBAGLBSA-N 1 0 328.394 1.186 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420278626 446446860 /nfs/dbraw/zinc/44/68/60/446446860.db2.gz VWJNIUSGGYLNSC-SWLSCSKDSA-N 1 0 341.433 1.570 20 5 EDBDRO Nc1ccc(C(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000370760837 446420996 /nfs/dbraw/zinc/42/09/96/446420996.db2.gz UCDAJQFOJMSPQM-HIFRSBDPSA-N 1 0 348.403 1.408 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000423517871 446559451 /nfs/dbraw/zinc/55/94/51/446559451.db2.gz OJXFDOUBFLPKSL-WFASDCNBSA-N 1 0 336.392 1.280 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000411589901 446618509 /nfs/dbraw/zinc/61/85/09/446618509.db2.gz IJAKVVZASLKZAB-CQSZACIVSA-N 1 0 348.403 1.783 20 5 EDBDRO CC[C@]1([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCOC1 ZINC000616487753 450434244 /nfs/dbraw/zinc/43/42/44/450434244.db2.gz YMVIGZJEYJPFBF-INIZCTEOSA-N 1 0 338.360 1.805 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000420470911 446647167 /nfs/dbraw/zinc/64/71/67/446647167.db2.gz QYKGODVMAVVOMX-NEPJUHHUSA-N 1 0 327.406 1.699 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423646963 446623174 /nfs/dbraw/zinc/62/31/74/446623174.db2.gz MNGHXZCGCKSBFY-HNNXBMFYSA-N 1 0 346.431 1.640 20 5 EDBDRO Cc1cc(NC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000411607592 446625016 /nfs/dbraw/zinc/62/50/16/446625016.db2.gz SPHKKWDYVRTZPY-UHFFFAOYSA-N 1 0 348.403 1.832 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH3+])[C@H]2C)cc1SC ZINC000423664591 446632361 /nfs/dbraw/zinc/63/23/61/446632361.db2.gz IQMHJVVKLRHSSC-SCZZXKLOSA-N 1 0 325.390 1.887 20 5 EDBDRO C[NH2+][C@H](C)CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418652148 446633896 /nfs/dbraw/zinc/63/38/96/446633896.db2.gz ZXTRJNDSONSZCF-GFCCVEGCSA-N 1 0 336.392 1.756 20 5 EDBDRO O=C(NC[C@@H]1C[NH2+]CCO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418773749 446691990 /nfs/dbraw/zinc/69/19/90/446691990.db2.gz UMVVALMKRKVJSV-AWEZNQCLSA-N 1 0 334.376 1.257 20 5 EDBDRO CNS(=O)(=O)c1ccc(N(C)C[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000420634667 446713307 /nfs/dbraw/zinc/71/33/07/446713307.db2.gz LEMMIUJMSUKVSN-LLVKDONJSA-N 1 0 342.421 1.033 20 5 EDBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000368213358 446714020 /nfs/dbraw/zinc/71/40/20/446714020.db2.gz KPLZSLQVPJDXAG-AWEZNQCLSA-N 1 0 342.359 1.047 20 5 EDBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H](C(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000411956072 446759926 /nfs/dbraw/zinc/75/99/26/446759926.db2.gz QXYQCFCHZUJRFI-ZDUSSCGKSA-N 1 0 348.403 1.642 20 5 EDBDRO C[C@H]1CN(C(=O)CCCn2c3ccc([N+](=O)[O-])cc3oc2=O)C[C@@H]1[NH3+] ZINC000423953122 446796148 /nfs/dbraw/zinc/79/61/48/446796148.db2.gz NHDFDFGBSSVTPB-JQWIXIFHSA-N 1 0 348.359 1.089 20 5 EDBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000419002006 446858840 /nfs/dbraw/zinc/85/88/40/446858840.db2.gz LWIJABYPMDOFEA-NWDGAFQWSA-N 1 0 347.375 1.536 20 5 EDBDRO COCC[N@H+](C)CCCNc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000443448852 447051931 /nfs/dbraw/zinc/05/19/31/447051931.db2.gz AFAVTASXAGAZDS-UHFFFAOYSA-N 1 0 335.364 2.025 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000425218925 447069434 /nfs/dbraw/zinc/06/94/34/447069434.db2.gz ZOPZFFWDNKWOPC-GXTWGEPZSA-N 1 0 339.417 1.618 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1C ZINC000413136161 447027483 /nfs/dbraw/zinc/02/74/83/447027483.db2.gz SPVYYZCQFMFLMR-ZJUUUORDSA-N 1 0 348.325 1.900 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421292398 447105652 /nfs/dbraw/zinc/10/56/52/447105652.db2.gz ARCLMSXVOMYUDK-ZDUSSCGKSA-N 1 0 348.403 1.703 20 5 EDBDRO COc1cc(CN2CCC[C@]3(CNC(=O)O3)C2)c([N+](=O)[O-])cc1F ZINC000372614430 447184266 /nfs/dbraw/zinc/18/42/66/447184266.db2.gz UCEGSRNWVBAIQB-HNNXBMFYSA-N 1 0 339.323 1.817 20 5 EDBDRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415473573 447465574 /nfs/dbraw/zinc/46/55/74/447465574.db2.gz GKKVUNGFBWLVCU-UHFFFAOYSA-N 1 0 326.328 1.306 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000415499156 447482303 /nfs/dbraw/zinc/48/23/03/447482303.db2.gz JNYQPOOAYJDTCJ-SKDRFNHKSA-N 1 0 338.364 1.838 20 5 EDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415479084 447469957 /nfs/dbraw/zinc/46/99/57/447469957.db2.gz GWDSWXGRJOVRSY-MNOVXSKESA-N 1 0 336.323 1.025 20 5 EDBDRO COC(=O)COc1ccc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000427121840 447547406 /nfs/dbraw/zinc/54/74/06/447547406.db2.gz MGHXCMMTGHQWSH-KGLIPLIRSA-N 1 0 349.387 1.330 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(CC[NH+](C)C)cc2)n1 ZINC000427480871 447606054 /nfs/dbraw/zinc/60/60/54/447606054.db2.gz NTPLDMGZDYAZDU-UHFFFAOYSA-N 1 0 345.403 1.845 20 5 EDBDRO O=[N+]([O-])c1ccc(NCCCN2CC[NH2+]CC2)nc1-c1ccccc1 ZINC000420121440 447616573 /nfs/dbraw/zinc/61/65/73/447616573.db2.gz PIVTVORZQYSJMM-UHFFFAOYSA-N 1 0 341.415 2.364 20 5 EDBDRO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1(CO)CCCC1 ZINC000459521127 447694872 /nfs/dbraw/zinc/69/48/72/447694872.db2.gz DBJVFEYCGOXXNK-INIZCTEOSA-N 1 0 337.420 1.923 20 5 EDBDRO C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000451081254 447672925 /nfs/dbraw/zinc/67/29/25/447672925.db2.gz DCZUJXSFXOOSPX-CQSZACIVSA-N 1 0 346.431 1.974 20 5 EDBDRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000452083770 447813774 /nfs/dbraw/zinc/81/37/74/447813774.db2.gz LXVGTFCQXOGBEI-UHFFFAOYSA-N 1 0 345.396 1.887 20 5 EDBDRO CC(C)(CN1CCCC1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000452085571 447813876 /nfs/dbraw/zinc/81/38/76/447813876.db2.gz KKEISPGBABJBDM-HNNXBMFYSA-N 1 0 337.420 1.799 20 5 EDBDRO [NH3+][C@@H]1CCCCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423035104 447795572 /nfs/dbraw/zinc/79/55/72/447795572.db2.gz IVTJWAIKTXIYAC-CABCVRRESA-N 1 0 341.433 1.618 20 5 EDBDRO CCC1CCC([N@H+](CCO)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000488231144 447844049 /nfs/dbraw/zinc/84/40/49/447844049.db2.gz JSBVWKHVKARWHD-ZBCRRDGASA-N 1 0 340.424 1.415 20 5 EDBDRO CCOc1cc(C(=O)NC(C)(C)CC[NH3+])c([N+](=O)[O-])cc1OC ZINC000570201626 447962445 /nfs/dbraw/zinc/96/24/45/447962445.db2.gz ZXBUDLZBJVWZJM-UHFFFAOYSA-N 1 0 325.365 1.859 20 5 EDBDRO COc1cc(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000525291528 447987884 /nfs/dbraw/zinc/98/78/84/447987884.db2.gz IIWAYDMXHDBRHK-LLVKDONJSA-N 1 0 337.376 1.684 20 5 EDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000525292623 447988790 /nfs/dbraw/zinc/98/87/90/447988790.db2.gz GUVDCFSOSJDFNC-CYBMUJFWSA-N 1 0 343.387 1.852 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000525307864 447994904 /nfs/dbraw/zinc/99/49/04/447994904.db2.gz MOZVPEAJRLTZSZ-LLVKDONJSA-N 1 0 343.405 1.224 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCCS2)cc1 ZINC000570675387 448046233 /nfs/dbraw/zinc/04/62/33/448046233.db2.gz JHRKQZCDSYJLSX-GFCCVEGCSA-N 1 0 330.431 1.854 20 5 EDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000554889625 448052952 /nfs/dbraw/zinc/05/29/52/448052952.db2.gz TWLAWSWRJPJUFI-GFCCVEGCSA-N 1 0 337.380 1.035 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000571045958 448098917 /nfs/dbraw/zinc/09/89/17/448098917.db2.gz QLUOXEDVTIXHEQ-JOCQHMNTSA-N 1 0 341.433 1.947 20 5 EDBDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CC2 ZINC000514651839 448178145 /nfs/dbraw/zinc/17/81/45/448178145.db2.gz XCXVEWLJWBPTMV-HZSPNIEDSA-N 1 0 345.407 1.780 20 5 EDBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532138552 448206405 /nfs/dbraw/zinc/20/64/05/448206405.db2.gz XSXWBJLCHIPBSZ-UHFFFAOYSA-N 1 0 336.392 1.609 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000591028973 448238840 /nfs/dbraw/zinc/23/88/40/448238840.db2.gz MMHVWMFLPKQEHV-WFASDCNBSA-N 1 0 346.387 1.313 20 5 EDBDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000577484331 448308734 /nfs/dbraw/zinc/30/87/34/448308734.db2.gz ODEXMLWHBPLXEI-CQSZACIVSA-N 1 0 343.387 1.742 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000591303085 448313489 /nfs/dbraw/zinc/31/34/89/448313489.db2.gz IFSNROOUNHRSBA-UHFFFAOYSA-N 1 0 334.376 1.436 20 5 EDBDRO Cc1cnc([C@@H](C)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000577503357 448315302 /nfs/dbraw/zinc/31/53/02/448315302.db2.gz ZHLPCLOFYMYEAH-JOYOIKCWSA-N 1 0 325.394 1.310 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000591270356 448303389 /nfs/dbraw/zinc/30/33/89/448303389.db2.gz ZNNOBYMPKAEBKJ-ONGXEEELSA-N 1 0 326.328 1.767 20 5 EDBDRO CCOc1cc(NC(=O)NC[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OCC ZINC000591274115 448303458 /nfs/dbraw/zinc/30/34/58/448303458.db2.gz VDNLAIBWMZGAJB-SECBINFHSA-N 1 0 326.353 1.861 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591448157 448367005 /nfs/dbraw/zinc/36/70/05/448367005.db2.gz FEGPWYMAQRRJCC-YWPYICTPSA-N 1 0 348.403 1.614 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591346275 448333601 /nfs/dbraw/zinc/33/36/01/448333601.db2.gz DUFHYTWKECFCIK-FZMZJTMJSA-N 1 0 334.376 1.497 20 5 EDBDRO Cc1c(CN2C(=O)N[C@]3(CCCC[C@@H]3C[NH3+])C2=O)cccc1[N+](=O)[O-] ZINC000566182554 448407582 /nfs/dbraw/zinc/40/75/82/448407582.db2.gz KOHAIDINKDYEHK-DYVFJYSZSA-N 1 0 346.387 1.843 20 5 EDBDRO Cc1c(C(=O)N2CC[NH2+]CC2(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000591677727 448446039 /nfs/dbraw/zinc/44/60/39/448446039.db2.gz BKHWXXKCXJPAAA-UHFFFAOYSA-N 1 0 344.375 1.308 20 5 EDBDRO Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000516862224 448484541 /nfs/dbraw/zinc/48/45/41/448484541.db2.gz PXMIPCHUJLRRQK-TZMCWYRMSA-N 1 0 346.387 1.735 20 5 EDBDRO Cc1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c(=O)n1C ZINC000517231451 448557490 /nfs/dbraw/zinc/55/74/90/448557490.db2.gz IFJMBKCDJLLVOY-AWEZNQCLSA-N 1 0 347.371 1.131 20 5 EDBDRO CC(C)Oc1nc(N[C@@H](C)CN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000578522677 448569545 /nfs/dbraw/zinc/56/95/45/448569545.db2.gz SSCFPVTZHFBJKB-ZDUSSCGKSA-N 1 0 337.424 1.825 20 5 EDBDRO CC(C)OC(=O)C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000573371463 448610732 /nfs/dbraw/zinc/61/07/32/448610732.db2.gz BARRROJLWSXOQD-MBNYWOFBSA-N 1 0 349.387 1.831 20 5 EDBDRO CN(CCC[NH+](C)C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000540491947 448638852 /nfs/dbraw/zinc/63/88/52/448638852.db2.gz PMHYFNZZZGWJLL-UHFFFAOYSA-N 1 0 345.403 1.947 20 5 EDBDRO COC(=O)c1cc(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000518317404 448663801 /nfs/dbraw/zinc/66/38/01/448663801.db2.gz PCOOTGKTJNKWFP-IINYFYTJSA-N 1 0 333.344 1.158 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(Cc3ccsc3)CC2)n1 ZINC000540117881 448630489 /nfs/dbraw/zinc/63/04/89/448630489.db2.gz UDEAHVNIRUUVEI-UHFFFAOYSA-N 1 0 335.389 1.348 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H](CO)CC1CCCC1 ZINC000578770050 448634130 /nfs/dbraw/zinc/63/41/30/448634130.db2.gz JLGWWTUZYUELTB-GJZGRUSLSA-N 1 0 338.404 1.865 20 5 EDBDRO CC(C)[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+](C)C ZINC000518398809 448676544 /nfs/dbraw/zinc/67/65/44/448676544.db2.gz GZPXNNAQLZRXOT-HNNXBMFYSA-N 1 0 335.408 1.225 20 5 EDBDRO CC1CC[NH+](CCNc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1 ZINC000585703427 448742365 /nfs/dbraw/zinc/74/23/65/448742365.db2.gz MSZUQJPGXQGINL-UHFFFAOYSA-N 1 0 347.419 1.929 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000592372628 448810372 /nfs/dbraw/zinc/81/03/72/448810372.db2.gz FGJWETIPRYMULO-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO CC1([NH3+])CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000592379070 448811169 /nfs/dbraw/zinc/81/11/69/448811169.db2.gz LDHWXILOMLNJLG-UHFFFAOYSA-N 1 0 333.797 1.750 20 5 EDBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000592381452 448813839 /nfs/dbraw/zinc/81/38/39/448813839.db2.gz OCWMAYSVFPGCLX-GXSJLCMTSA-N 1 0 329.353 1.106 20 5 EDBDRO CC[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC[C@@H]1[NH3+] ZINC000592333198 448795281 /nfs/dbraw/zinc/79/52/81/448795281.db2.gz UHKWLFYTYLLWOV-RISCZKNCSA-N 1 0 344.375 1.375 20 5 EDBDRO CC[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1[NH3+] ZINC000592332613 448795728 /nfs/dbraw/zinc/79/57/28/448795728.db2.gz OMCNUORGEVNOCK-IUODEOHRSA-N 1 0 343.387 1.980 20 5 EDBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000592335375 448796127 /nfs/dbraw/zinc/79/61/27/448796127.db2.gz YUEQKSWEARWRIL-LLVKDONJSA-N 1 0 335.360 1.567 20 5 EDBDRO CNc1ccc(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000592342291 448799144 /nfs/dbraw/zinc/79/91/44/448799144.db2.gz WZDCXLMAXMKEIS-CYBMUJFWSA-N 1 0 348.403 1.464 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ncoc2-c2ccccc2)c1 ZINC000579464200 448799221 /nfs/dbraw/zinc/79/92/21/448799221.db2.gz DUAUMIOQWUDBDH-CQSZACIVSA-N 1 0 343.343 1.597 20 5 EDBDRO CCc1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000592389812 448819323 /nfs/dbraw/zinc/81/93/23/448819323.db2.gz SNOHVARPEBXEOW-QWRGUYRKSA-N 1 0 331.369 1.136 20 5 EDBDRO Nc1cc(N2CCC(C[NH+]3CCCC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587295727 448837372 /nfs/dbraw/zinc/83/73/72/448837372.db2.gz IZEZEQNKSRFJHZ-UHFFFAOYSA-N 1 0 334.420 1.982 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(Cc3ccc(F)cc3)CC2)c1 ZINC000574312037 448842768 /nfs/dbraw/zinc/84/27/68/448842768.db2.gz GGLKDBAYHPQZSW-MRXNPFEDSA-N 1 0 348.378 1.904 20 5 EDBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000588005142 448855286 /nfs/dbraw/zinc/85/52/86/448855286.db2.gz WEKYTVOBLKLNAN-CQSZACIVSA-N 1 0 336.367 1.652 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[NH2+][C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000592484575 448855702 /nfs/dbraw/zinc/85/57/02/448855702.db2.gz DWGDSQUHCDNQOU-CQSZACIVSA-N 1 0 336.392 1.472 20 5 EDBDRO CCO[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1OC ZINC000579702072 448856824 /nfs/dbraw/zinc/85/68/24/448856824.db2.gz NXPACFOBUKMNGC-BJJXKVORSA-N 1 0 337.376 1.705 20 5 EDBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000592556320 448898682 /nfs/dbraw/zinc/89/86/82/448898682.db2.gz UBRNGQQORGRCHQ-LBPRGKRZSA-N 1 0 341.751 1.225 20 5 EDBDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000592569014 448905831 /nfs/dbraw/zinc/90/58/31/448905831.db2.gz VGJHARTWCOAJMT-JTQLQIEISA-N 1 0 329.360 1.876 20 5 EDBDRO Nc1nccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000547729090 448919627 /nfs/dbraw/zinc/91/96/27/448919627.db2.gz BINUVYNIIZMZAW-ZDUSSCGKSA-N 1 0 341.371 1.576 20 5 EDBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548059351 448978274 /nfs/dbraw/zinc/97/82/74/448978274.db2.gz NZVJWRJYNJCTPX-GFCCVEGCSA-N 1 0 335.408 1.956 20 5 EDBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588860046 448941929 /nfs/dbraw/zinc/94/19/29/448941929.db2.gz BPDZMFIGDIABHJ-OLZOCXBDSA-N 1 0 344.371 1.357 20 5 EDBDRO Cc1c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000592877910 449032654 /nfs/dbraw/zinc/03/26/54/449032654.db2.gz ASVRHMURAJRHLR-LBPRGKRZSA-N 1 0 334.376 1.095 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000521461145 448990347 /nfs/dbraw/zinc/99/03/47/448990347.db2.gz WVGRAZIVACWYFU-LBPRGKRZSA-N 1 0 336.392 1.008 20 5 EDBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000595608812 449076628 /nfs/dbraw/zinc/07/66/28/449076628.db2.gz WWEORIHUYXNNJL-AWEZNQCLSA-N 1 0 331.376 1.977 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@@H](CO)C1CCC1 ZINC000595614485 449080415 /nfs/dbraw/zinc/08/04/15/449080415.db2.gz CTLDFKOFRZMLCM-ZDUSSCGKSA-N 1 0 335.360 1.643 20 5 EDBDRO CNc1nccc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000521988578 449037001 /nfs/dbraw/zinc/03/70/01/449037001.db2.gz LKHBASSUYHVVNG-RYUDHWBXSA-N 1 0 335.408 1.882 20 5 EDBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593600100 449100577 /nfs/dbraw/zinc/10/05/77/449100577.db2.gz ZNLSTABLSBFAFX-WCQYABFASA-N 1 0 340.405 1.237 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000599891152 449101641 /nfs/dbraw/zinc/10/16/41/449101641.db2.gz ZJVGVYCXXPVCLJ-AWEZNQCLSA-N 1 0 348.403 1.607 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c1 ZINC000593011345 449101762 /nfs/dbraw/zinc/10/17/62/449101762.db2.gz PGBRXAYWJVORPR-CMPLNLGQSA-N 1 0 335.360 1.467 20 5 EDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)C2 ZINC000599907370 449105715 /nfs/dbraw/zinc/10/57/15/449105715.db2.gz NAEBVKPLILIWSB-CALCHBBNSA-N 1 0 332.404 1.778 20 5 EDBDRO O=[N+]([O-])c1ccc(CCN2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000593031831 449108909 /nfs/dbraw/zinc/10/89/09/449108909.db2.gz BOQMOXXTDIMQDO-UHFFFAOYSA-N 1 0 333.432 1.964 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000590352497 449136381 /nfs/dbraw/zinc/13/63/81/449136381.db2.gz NTHDOQOJSSWGBI-CYBMUJFWSA-N 1 0 334.376 1.317 20 5 EDBDRO C[C@H]1CC[C@@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C[NH2+]1 ZINC000599937498 449116310 /nfs/dbraw/zinc/11/63/10/449116310.db2.gz DJYIMORFZYXQCL-UONOGXRCSA-N 1 0 347.419 1.567 20 5 EDBDRO C[NH2+]Cc1ccccc1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000593709188 449155051 /nfs/dbraw/zinc/15/50/51/449155051.db2.gz UMYSEANYSSYEKO-UHFFFAOYSA-N 1 0 332.364 1.010 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC(=O)N(C)CC1 ZINC000595773584 449158397 /nfs/dbraw/zinc/15/83/97/449158397.db2.gz QKIAIDCWYXJLBA-UHFFFAOYSA-N 1 0 334.376 1.396 20 5 EDBDRO C[NH+](C)CC(C)(C)CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000603928641 449161817 /nfs/dbraw/zinc/16/18/17/449161817.db2.gz HOWGBPXYLTWRDP-UHFFFAOYSA-N 1 0 330.410 1.242 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCC[N@@H+](C)CC(C)C ZINC000593203886 449169028 /nfs/dbraw/zinc/16/90/28/449169028.db2.gz JZUBDAIGAYTJKG-UHFFFAOYSA-N 1 0 325.413 1.584 20 5 EDBDRO CN(CC[NH+]1CCCCC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000593666274 449138288 /nfs/dbraw/zinc/13/82/88/449138288.db2.gz ORVKLXNANLSJTQ-UHFFFAOYSA-N 1 0 341.433 1.842 20 5 EDBDRO COc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000599988606 449139411 /nfs/dbraw/zinc/13/94/11/449139411.db2.gz JVAUITQTWBTAGD-HBYGRHMLSA-N 1 0 335.360 1.244 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000597925740 449144980 /nfs/dbraw/zinc/14/49/80/449144980.db2.gz QOEFELKHWSYAGC-ZDUSSCGKSA-N 1 0 348.403 1.314 20 5 EDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000600007494 449146769 /nfs/dbraw/zinc/14/67/69/449146769.db2.gz UWLJYGHLJMQLQG-UHFFFAOYSA-N 1 0 339.417 1.983 20 5 EDBDRO CCN1C[C@@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O ZINC000593686359 449147778 /nfs/dbraw/zinc/14/77/78/449147778.db2.gz HKFVSHCFROILAC-LLVKDONJSA-N 1 0 335.360 1.324 20 5 EDBDRO Cc1c(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000590402484 449149834 /nfs/dbraw/zinc/14/98/34/449149834.db2.gz UVVAYQJCOPDOKL-JKSUJKDBSA-N 1 0 333.388 1.838 20 5 EDBDRO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[NH+](C)C ZINC000597993621 449177944 /nfs/dbraw/zinc/17/79/44/449177944.db2.gz UKMKDVLPFRLOFF-LBPRGKRZSA-N 1 0 331.376 1.851 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000595805612 449178593 /nfs/dbraw/zinc/17/85/93/449178593.db2.gz ISHVVNZUSDJEOO-CQSZACIVSA-N 1 0 335.408 1.790 20 5 EDBDRO Cc1nccc([C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000611185716 449208562 /nfs/dbraw/zinc/20/85/62/449208562.db2.gz RFFGWCBEQFZUSG-CQSZACIVSA-N 1 0 343.387 1.735 20 5 EDBDRO C[C@@H](CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000597999934 449185339 /nfs/dbraw/zinc/18/53/39/449185339.db2.gz SZVNBCREGQLQIJ-NSHDSACASA-N 1 0 332.364 1.246 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000590561736 449191735 /nfs/dbraw/zinc/19/17/35/449191735.db2.gz FVFPAMVYPAUXLJ-LSDHHAIUSA-N 1 0 334.376 1.233 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595828990 449191721 /nfs/dbraw/zinc/19/17/21/449191721.db2.gz FXCCFZIOABOODY-STQMWFEESA-N 1 0 349.387 1.900 20 5 EDBDRO CNS(=O)(=O)c1ccc(N2CC[C@@H]([NH+](C)C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000590569104 449194635 /nfs/dbraw/zinc/19/46/35/449194635.db2.gz LEGURIXNOJOVIO-CMPLNLGQSA-N 1 0 342.421 1.032 20 5 EDBDRO CNS(=O)(=O)c1ccc(N2CC[C@@H]([NH+](C)C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000590569107 449195186 /nfs/dbraw/zinc/19/51/86/449195186.db2.gz LEGURIXNOJOVIO-ZYHUDNBSSA-N 1 0 342.421 1.032 20 5 EDBDRO O=[N+]([O-])c1cccc(N2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000595886744 449233034 /nfs/dbraw/zinc/23/30/34/449233034.db2.gz YNSTWNRHTOQWBM-INIZCTEOSA-N 1 0 332.404 1.238 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H](C[NH3+])C(F)(F)F ZINC000595909846 449247815 /nfs/dbraw/zinc/24/78/15/449247815.db2.gz SXXIWILBWRUPQK-NSHDSACASA-N 1 0 334.298 1.663 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCN1CCCS1(=O)=O ZINC000611335572 449265479 /nfs/dbraw/zinc/26/54/79/449265479.db2.gz NTMKFBGAIMIURO-CYBMUJFWSA-N 1 0 341.433 1.979 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000590776541 449290636 /nfs/dbraw/zinc/29/06/36/449290636.db2.gz WMBREYCJLHUGTQ-WBMJQRKESA-N 1 0 341.371 1.557 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000598221444 449296775 /nfs/dbraw/zinc/29/67/75/449296775.db2.gz UYUPUAMMOCUSNV-LBPRGKRZSA-N 1 0 335.408 1.948 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000598221443 449297716 /nfs/dbraw/zinc/29/77/16/449297716.db2.gz UYUPUAMMOCUSNV-GFCCVEGCSA-N 1 0 335.408 1.948 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000595991382 449300728 /nfs/dbraw/zinc/30/07/28/449300728.db2.gz HUWSXSKIWSCLGP-XPTSAGLGSA-N 1 0 327.768 1.884 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593911932 449281020 /nfs/dbraw/zinc/28/10/20/449281020.db2.gz JSXHEEKQTFGIAL-YWPYICTPSA-N 1 0 348.403 1.536 20 5 EDBDRO Cn1c(C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1[N+](=O)[O-] ZINC000593912811 449282458 /nfs/dbraw/zinc/28/24/58/449282458.db2.gz QUPOVUKWPDZWLJ-OBJOEFQTSA-N 1 0 336.392 1.292 20 5 EDBDRO CCO[C@@H]1CN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593916104 449283356 /nfs/dbraw/zinc/28/33/56/449283356.db2.gz AKJLBJLPZBHLAA-IUODEOHRSA-N 1 0 337.376 1.348 20 5 EDBDRO C[C@@H](O)C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000594064131 449345380 /nfs/dbraw/zinc/34/53/80/449345380.db2.gz KVNBFUCYPCEFDV-LLVKDONJSA-N 1 0 335.360 1.738 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596076961 449351171 /nfs/dbraw/zinc/35/11/71/449351171.db2.gz DVKBOUAQHQUPPI-LBPRGKRZSA-N 1 0 335.408 1.132 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000602117068 449358074 /nfs/dbraw/zinc/35/80/74/449358074.db2.gz OBTWXCRWTVJNGY-JGGQBBKZSA-N 1 0 333.388 1.944 20 5 EDBDRO Cn1cc(CCC[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cn1 ZINC000590962241 449361309 /nfs/dbraw/zinc/36/13/09/449361309.db2.gz OUFHSPTUVTXKBF-UHFFFAOYSA-N 1 0 330.392 1.478 20 5 EDBDRO CC1([NH+]2CCOCC2)CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000600410791 449361918 /nfs/dbraw/zinc/36/19/18/449361918.db2.gz MPLMTKCNEFCNOC-UHFFFAOYSA-N 1 0 347.415 1.851 20 5 EDBDRO CC(C)(C[NH+]1CCOCC1)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000602133255 449372026 /nfs/dbraw/zinc/37/20/26/449372026.db2.gz QSPXSEGNSHJVNV-UHFFFAOYSA-N 1 0 348.403 1.233 20 5 EDBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596125090 449375104 /nfs/dbraw/zinc/37/51/04/449375104.db2.gz ZKPCQUAGICEOIG-ZDUSSCGKSA-N 1 0 335.408 1.302 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)nc1 ZINC000593544123 449337178 /nfs/dbraw/zinc/33/71/78/449337178.db2.gz QOVIQTNEGLNXEE-ZDUSSCGKSA-N 1 0 340.405 1.239 20 5 EDBDRO COc1ccc(CC(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)cc1[N+](=O)[O-] ZINC000602175186 449406038 /nfs/dbraw/zinc/40/60/38/449406038.db2.gz WTCYVIPSCIODBJ-HUUCEWRRSA-N 1 0 335.404 1.991 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000594258463 449415645 /nfs/dbraw/zinc/41/56/45/449415645.db2.gz OTLREYRUVCZQJU-XBXGTLAGSA-N 1 0 348.403 1.708 20 5 EDBDRO C[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)C[NH+]1CCOCC1 ZINC000611704706 449388398 /nfs/dbraw/zinc/38/83/98/449388398.db2.gz AGUYRZMRFXELHF-GFCCVEGCSA-N 1 0 331.376 1.918 20 5 EDBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[NH+](C4CCOCC4)CC3)c2c1 ZINC000611707876 449389567 /nfs/dbraw/zinc/38/95/67/449389567.db2.gz MNFDCHZWHNNRIG-UHFFFAOYSA-N 1 0 343.387 1.839 20 5 EDBDRO CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000600618386 449462611 /nfs/dbraw/zinc/46/26/11/449462611.db2.gz CHIGVWZQEIHFKU-HRCADAONSA-N 1 0 333.388 1.966 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000596307843 449467615 /nfs/dbraw/zinc/46/76/15/449467615.db2.gz PJXNTUVSSZKLTK-NSHDSACASA-N 1 0 342.421 1.527 20 5 EDBDRO CCC([NH3+])(CC)CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598664850 449526878 /nfs/dbraw/zinc/52/68/78/449526878.db2.gz OMZOBHZQVMCPGT-UHFFFAOYSA-N 1 0 337.380 1.350 20 5 EDBDRO Cn1ccnc1[C@H](NCC1([NH3+])CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000600712788 449511011 /nfs/dbraw/zinc/51/10/11/449511011.db2.gz YYEDNPUZFGMPDX-OAHLLOKOSA-N 1 0 345.403 1.515 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598725896 449565583 /nfs/dbraw/zinc/56/55/83/449565583.db2.gz QGPGZBVGQDJXEJ-IINYFYTJSA-N 1 0 341.389 1.105 20 5 EDBDRO CO[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@](C)(C[NH3+])C1 ZINC000600884260 449585371 /nfs/dbraw/zinc/58/53/71/449585371.db2.gz KGGGDOBIHNJRJL-WFASDCNBSA-N 1 0 341.795 1.755 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000598714124 449558511 /nfs/dbraw/zinc/55/85/11/449558511.db2.gz FUNIMWODECSGIG-QWHCGFSZSA-N 1 0 341.433 1.960 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598713863 449558792 /nfs/dbraw/zinc/55/87/92/449558792.db2.gz DOUHAEXSIVDYJO-VXGBXAGGSA-N 1 0 327.406 1.569 20 5 EDBDRO C[NH+](C)C1CC(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000598716577 449560623 /nfs/dbraw/zinc/56/06/23/449560623.db2.gz NSLQQTRGVKNTHN-UHFFFAOYSA-N 1 0 344.371 1.731 20 5 EDBDRO COc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC000598720356 449562176 /nfs/dbraw/zinc/56/21/76/449562176.db2.gz OIWSBVCOEMGOHH-YGRLFVJLSA-N 1 0 341.389 1.105 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(N3CCC[C@H]([NH+]4CCOCC4)CC3)nn21 ZINC000594601671 449590705 /nfs/dbraw/zinc/59/07/05/449590705.db2.gz YRSQQSBMACQGRH-ZDUSSCGKSA-N 1 0 346.391 1.329 20 5 EDBDRO Cn1ncc(C2CC2)c1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000594733601 449656893 /nfs/dbraw/zinc/65/68/93/449656893.db2.gz ZEIHIIHAQAAWRJ-CQSZACIVSA-N 1 0 346.387 1.735 20 5 EDBDRO O=[N+]([O-])c1cccnc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000594761526 449675805 /nfs/dbraw/zinc/67/58/05/449675805.db2.gz ZHPLSPJOYFJFNO-GFCCVEGCSA-N 1 0 340.405 1.096 20 5 EDBDRO C[NH+]1CCC(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)CC1 ZINC000598974927 449676643 /nfs/dbraw/zinc/67/66/43/449676643.db2.gz UAAYQNDWSKKIFS-UHFFFAOYSA-N 1 0 347.350 1.744 20 5 EDBDRO C[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000594763112 449677226 /nfs/dbraw/zinc/67/72/26/449677226.db2.gz LXHQHLZOLRIIPJ-JTQLQIEISA-N 1 0 330.410 1.244 20 5 EDBDRO CCn1nncc1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000598986332 449680143 /nfs/dbraw/zinc/68/01/43/449680143.db2.gz MLQWCOBHDNPEET-UHFFFAOYSA-N 1 0 341.375 1.897 20 5 EDBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H]1CN(C)CCO1 ZINC000602575486 449683511 /nfs/dbraw/zinc/68/35/11/449683511.db2.gz IJYXJTFLZJIXKP-CJNGLKHVSA-N 1 0 349.435 1.267 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000594787713 449695929 /nfs/dbraw/zinc/69/59/29/449695929.db2.gz CUUPJRZJUFUWRA-LBPRGKRZSA-N 1 0 341.433 1.994 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601126403 449705384 /nfs/dbraw/zinc/70/53/84/449705384.db2.gz XWMNEBDHZOCKOE-HNNXBMFYSA-N 1 0 347.415 1.853 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(C)C)c(C)cc1[N+](=O)[O-] ZINC000599106031 449738323 /nfs/dbraw/zinc/73/83/23/449738323.db2.gz TZAJTBIXLPKFFH-AWEZNQCLSA-N 1 0 341.433 1.830 20 5 EDBDRO COCC[C@H](CO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602653767 449730679 /nfs/dbraw/zinc/73/06/79/449730679.db2.gz DFTIZPGPMNJMKY-SSDOTTSWSA-N 1 0 339.211 1.906 20 5 EDBDRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000599102513 449734420 /nfs/dbraw/zinc/73/44/20/449734420.db2.gz OZXKCLQURLOLAO-LBPRGKRZSA-N 1 0 347.824 1.867 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599104739 449735137 /nfs/dbraw/zinc/73/51/37/449735137.db2.gz NMWZSTBNBXOORK-JQWIXIFHSA-N 1 0 327.406 1.576 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599103719 449735188 /nfs/dbraw/zinc/73/51/88/449735188.db2.gz JXULWDHONSGSPZ-VXGBXAGGSA-N 1 0 327.406 1.630 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000602586096 449687936 /nfs/dbraw/zinc/68/79/36/449687936.db2.gz YVSKUCINSNPOIT-UHFFFAOYSA-N 1 0 326.356 1.874 20 5 EDBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602588640 449689855 /nfs/dbraw/zinc/68/98/55/449689855.db2.gz NHXBNDDJNNBIEG-JQWIXIFHSA-N 1 0 330.369 1.905 20 5 EDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000617722354 449776109 /nfs/dbraw/zinc/77/61/09/449776109.db2.gz NIRFNYFZSRTJMH-ZFWWWQNUSA-N 1 0 335.404 1.925 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(N2CCOC[C@H]2C)CC1 ZINC000602836019 449845702 /nfs/dbraw/zinc/84/57/02/449845702.db2.gz CJMWVWBEKQQUEE-CYBMUJFWSA-N 1 0 337.424 1.285 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000601337374 449846066 /nfs/dbraw/zinc/84/60/66/449846066.db2.gz BZDBFQHRIMQEMY-JTQLQIEISA-N 1 0 331.369 1.272 20 5 EDBDRO Cc1ccccc1CC1C[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000612677891 449830076 /nfs/dbraw/zinc/83/00/76/449830076.db2.gz HQAVXULXVRPPTO-QGZVFWFLSA-N 1 0 330.388 1.635 20 5 EDBDRO [NH3+][C@@H]1CCCCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000601324942 449834089 /nfs/dbraw/zinc/83/40/89/449834089.db2.gz RHIMNTNEJDHTMF-CJNGLKHVSA-N 1 0 332.404 1.903 20 5 EDBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCn3c(C)ncc3[N+](=O)[O-])[C@H]2C1 ZINC000602831841 449842975 /nfs/dbraw/zinc/84/29/75/449842975.db2.gz IXGLTVDYBVQSTQ-KKUMJFAQSA-N 1 0 335.408 1.336 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC3CC2(C[NH3+])C3)c1[N+](=O)[O-] ZINC000595118364 449878708 /nfs/dbraw/zinc/87/87/08/449878708.db2.gz ZIRPKWHTILDMTD-UHFFFAOYSA-N 1 0 325.390 1.323 20 5 EDBDRO C[NH2+]C[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000595119564 449879566 /nfs/dbraw/zinc/87/95/66/449879566.db2.gz VPROLHNSZOFVOO-ZETCQYMHSA-N 1 0 341.311 1.500 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)NCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000595119865 449880062 /nfs/dbraw/zinc/88/00/62/449880062.db2.gz KJAQMINKIRIIRA-UHFFFAOYSA-N 1 0 347.368 1.292 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)c(Cl)c1 ZINC000595127781 449887002 /nfs/dbraw/zinc/88/70/02/449887002.db2.gz ODIKNAJZJKMSDB-UHFFFAOYSA-N 1 0 331.781 1.279 20 5 EDBDRO CS[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000601380465 449896947 /nfs/dbraw/zinc/89/69/47/449896947.db2.gz VNZUKZUEYNYEDD-NEPJUHHUSA-N 1 0 327.381 1.852 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000601421924 449940380 /nfs/dbraw/zinc/94/03/80/449940380.db2.gz NAOGWBIYSPPDJZ-QWHCGFSZSA-N 1 0 341.433 1.925 20 5 EDBDRO CN(CCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000608836388 449945151 /nfs/dbraw/zinc/94/51/51/449945151.db2.gz USJVEPAIWIXLAN-VMPITWQZSA-N 1 0 327.406 1.479 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000608960015 449953310 /nfs/dbraw/zinc/95/33/10/449953310.db2.gz UCSPKSYJOCILNL-VXGBXAGGSA-N 1 0 347.371 1.723 20 5 EDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000602960176 449960792 /nfs/dbraw/zinc/96/07/92/449960792.db2.gz JQVMAEZZDGAVTQ-QWHCGFSZSA-N 1 0 333.392 1.811 20 5 EDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000609139702 449967362 /nfs/dbraw/zinc/96/73/62/449967362.db2.gz PXMGYUWJPRLYIY-HZPDHXFCSA-N 1 0 348.403 1.335 20 5 EDBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000603010671 450005508 /nfs/dbraw/zinc/00/55/08/450005508.db2.gz BXGSEXWWFGLZKS-QGZVFWFLSA-N 1 0 349.431 1.835 20 5 EDBDRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 ZINC000613078176 450011711 /nfs/dbraw/zinc/01/17/11/450011711.db2.gz JFXVYIXNDBXKAE-BETUJISGSA-N 1 0 336.392 1.476 20 5 EDBDRO COc1ccc(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000597438006 450020517 /nfs/dbraw/zinc/02/05/17/450020517.db2.gz BLBHWYHOXBVWOE-AWEZNQCLSA-N 1 0 334.376 1.545 20 5 EDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCCn2cncn2)c1 ZINC000609440357 450028586 /nfs/dbraw/zinc/02/85/86/450028586.db2.gz QHROACPPWWHQNK-UHFFFAOYSA-N 1 0 327.291 1.968 20 5 EDBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000609548613 450048112 /nfs/dbraw/zinc/04/81/12/450048112.db2.gz PGECHGNNXIDHNW-JTQLQIEISA-N 1 0 342.355 1.815 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c1C ZINC000615293347 450051078 /nfs/dbraw/zinc/05/10/78/450051078.db2.gz QPWWBRUKZZUCCM-ZIAGYGMSSA-N 1 0 341.433 1.973 20 5 EDBDRO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000609631695 450077152 /nfs/dbraw/zinc/07/71/52/450077152.db2.gz OLJMVFSHXLQVPO-GFCCVEGCSA-N 1 0 337.376 1.900 20 5 EDBDRO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H]1CCOC1 ZINC000609631591 450077340 /nfs/dbraw/zinc/07/73/40/450077340.db2.gz CZYIQLAPHMBGEZ-ZDUSSCGKSA-N 1 0 333.388 1.842 20 5 EDBDRO CNc1c(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000613234737 450094745 /nfs/dbraw/zinc/09/47/45/450094745.db2.gz CAAWSZLZHDSMHD-CYBMUJFWSA-N 1 0 348.403 1.620 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3c(F)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000601609417 450108758 /nfs/dbraw/zinc/10/87/58/450108758.db2.gz XCOZQPZXWVSLES-UONOGXRCSA-N 1 0 337.351 1.669 20 5 EDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])n1cc(CN2CC[NH+](C)CC2)nn1 ZINC000603220344 450152217 /nfs/dbraw/zinc/15/22/17/450152217.db2.gz SZHQWJCBHBCNEQ-ZDUSSCGKSA-N 1 0 330.392 1.543 20 5 EDBDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000613390130 450160555 /nfs/dbraw/zinc/16/05/55/450160555.db2.gz XTLBJHHKCXZGDB-BBRMVZONSA-N 1 0 331.372 1.511 20 5 EDBDRO COc1cc(C[NH+]2CCC(c3nc(N)n[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000595487724 450178009 /nfs/dbraw/zinc/17/80/09/450178009.db2.gz ANVHATZBVMOEAK-UHFFFAOYSA-N 1 0 332.364 1.683 20 5 EDBDRO COc1cc(OCC(=O)N(C)CCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000610473279 450232915 /nfs/dbraw/zinc/23/29/15/450232915.db2.gz KEXISZWUNGVBBM-UHFFFAOYSA-N 1 0 339.392 1.782 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000610771364 450330814 /nfs/dbraw/zinc/33/08/14/450330814.db2.gz NFEIRFSMMLKLSA-CQSZACIVSA-N 1 0 334.376 1.317 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCN(C)S(C)(=O)=O ZINC000610799300 485819442 /nfs/dbraw/zinc/81/94/42/485819442.db2.gz RBLBHJGNPCYZLA-LBPRGKRZSA-N 1 0 329.422 1.835 20 5 EDBDRO CC[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000610799223 485819490 /nfs/dbraw/zinc/81/94/90/485819490.db2.gz MMGOLMBRLFTPRI-CQSZACIVSA-N 1 0 329.422 1.917 20 5 EDBDRO C[C@@H]1CC[C@@](CO)([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000188006945 534203426 /nfs/dbraw/zinc/20/34/26/534203426.db2.gz KCNHMFKPMUKKGZ-JKIFEVAISA-N 1 0 338.404 1.817 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000184403302 534318517 /nfs/dbraw/zinc/31/85/17/534318517.db2.gz IDWKZBMPKUOVFR-AWEZNQCLSA-N 1 0 334.420 1.659 20 5 EDBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)c1ccco1 ZINC000359537006 519088405 /nfs/dbraw/zinc/08/84/05/519088405.db2.gz FVDHAODXJWYVTQ-MNOVXSKESA-N 1 0 335.364 1.781 20 5 EDBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000236616187 535307240 /nfs/dbraw/zinc/30/72/40/535307240.db2.gz SGXLQWQXXXDWFY-LLVKDONJSA-N 1 0 332.364 1.279 20 5 EDBDRO CC[N@@H+]1CC[C@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000347071798 535770125 /nfs/dbraw/zinc/77/01/25/535770125.db2.gz AHBRNUXUCOEMIO-ZDUSSCGKSA-N 1 0 327.406 1.151 20 5 EDBDRO CN1C(=O)N[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000345675305 536326479 /nfs/dbraw/zinc/32/64/79/536326479.db2.gz MFRVYGNHIWVNGS-STQMWFEESA-N 1 0 347.375 1.021 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000247965414 536377729 /nfs/dbraw/zinc/37/77/29/536377729.db2.gz GSOJQZKLSSXMNH-ZIAGYGMSSA-N 1 0 333.388 1.916 20 5 EDBDRO C[NH2+][C@H]1CCCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000261864986 536414388 /nfs/dbraw/zinc/41/43/88/536414388.db2.gz ZXJVUAYVEICTCE-RYUDHWBXSA-N 1 0 336.392 1.614 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)C[S@@](C)=O)cc1[N+](=O)[O-] ZINC000353211486 536476499 /nfs/dbraw/zinc/47/64/99/536476499.db2.gz UFBQKZAWOGKMRM-DJNLSKAYSA-N 1 0 344.389 1.003 20 5 EDBDRO COc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000248581419 536892156 /nfs/dbraw/zinc/89/21/56/536892156.db2.gz FKSTVVBGUPXGRH-ZMLRMANQSA-N 1 0 335.360 1.421 20 5 EDBDRO Cc1ccc([C@H](O)C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000743248996 579474021 /nfs/dbraw/zinc/47/40/21/579474021.db2.gz ADBJTFROSMZSER-KZNAEPCWSA-N 1 0 346.383 1.621 20 5 EDBDRO CC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1OC ZINC000743259811 579474270 /nfs/dbraw/zinc/47/42/70/579474270.db2.gz NQLFTNWSXCNZDX-DZGCQCFKSA-N 1 0 334.376 1.902 20 5 EDBDRO COc1cc(C[NH2+]CCc2nnc3ccccn32)c([N+](=O)[O-])cc1O ZINC000725841363 578287624 /nfs/dbraw/zinc/28/76/24/578287624.db2.gz ABMJLBQKPCDDCQ-UHFFFAOYSA-N 1 0 343.343 1.684 20 5 EDBDRO CC(C)[N@@H+]1CCCN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000727823962 578539071 /nfs/dbraw/zinc/53/90/71/578539071.db2.gz OSNBZFDBVHBOPY-UHFFFAOYSA-N 1 0 346.387 1.564 20 5 EDBDRO C[C@@H](O)C[N@H+](C)C1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000729920082 578599367 /nfs/dbraw/zinc/59/93/67/578599367.db2.gz UKZIIUOMJKSASC-GFCCVEGCSA-N 1 0 333.392 1.524 20 5 EDBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)C1CCCC1 ZINC000736801467 579021946 /nfs/dbraw/zinc/02/19/46/579021946.db2.gz WHUIMLBCPXYJNW-UHFFFAOYSA-N 1 0 332.368 1.456 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000737004910 579039705 /nfs/dbraw/zinc/03/97/05/579039705.db2.gz PRSLWDKQIJQJKX-GFCCVEGCSA-N 1 0 347.379 1.298 20 5 EDBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000738516486 579190404 /nfs/dbraw/zinc/19/04/04/579190404.db2.gz BAXGGKDKEMOCQQ-UHFFFAOYSA-N 1 0 331.376 1.512 20 5 EDBDRO C[C@H](C[S@@](C)=O)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000753588400 579883297 /nfs/dbraw/zinc/88/32/97/579883297.db2.gz VHKUNCCDHVSLSE-VERVWZFWSA-N 1 0 325.434 1.920 20 5 EDBDRO CN1CC[C@@](O)(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000762786734 580083100 /nfs/dbraw/zinc/08/31/00/580083100.db2.gz KQRKCJDBJNHRAH-QGZVFWFLSA-N 1 0 334.420 1.220 20 5 EDBDRO C[C@@H]1CN(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000765789736 580151324 /nfs/dbraw/zinc/15/13/24/580151324.db2.gz QXDMJDLSUGUEHK-OAHLLOKOSA-N 1 0 348.447 1.874 20 5 EDBDRO C[NH+](C)CCOCCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000771141148 580280805 /nfs/dbraw/zinc/28/08/05/580280805.db2.gz OKTYMZGJRGIGJP-UHFFFAOYSA-N 1 0 330.772 1.948 20 5 EDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000771509326 580288167 /nfs/dbraw/zinc/28/81/67/580288167.db2.gz MCQOFUFRYOMOGW-SECBINFHSA-N 1 0 335.389 1.671 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CC1 ZINC000781956452 580561378 /nfs/dbraw/zinc/56/13/78/580561378.db2.gz UHIXXFQFCNSWAT-HZPDHXFCSA-N 1 0 346.387 1.544 20 5 EDBDRO C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000781963520 580561724 /nfs/dbraw/zinc/56/17/24/580561724.db2.gz CURKITWITLWOKS-XHDPSFHLSA-N 1 0 332.360 1.298 20 5 EDBDRO O=C(CC[NH2+][C@@H](CCO)C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782536773 580577135 /nfs/dbraw/zinc/57/71/35/580577135.db2.gz XDJKKJRPYNBXBB-ZDUSSCGKSA-N 1 0 325.340 1.813 20 5 EDBDRO O=C1C[C@]2(CC[N@@H+](Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)C2)CN1 ZINC000788382850 580720244 /nfs/dbraw/zinc/72/02/44/580720244.db2.gz HJMLEHAPWIXVOM-QGZVFWFLSA-N 1 0 341.371 1.628 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC([NH3+])(CO)CC1 ZINC000790271208 580765528 /nfs/dbraw/zinc/76/55/28/580765528.db2.gz HVXNXIPQLNEOEW-UHFFFAOYSA-N 1 0 343.767 1.325 20 5 EDBDRO C[C@H]1C[C@H](C)[NH+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000791572362 580795758 /nfs/dbraw/zinc/79/57/58/580795758.db2.gz DRNXUFFCVAVMJA-KBPBESRZSA-N 1 0 332.404 1.726 20 5 EDBDRO CN(CCC[NH+]1CCCC1)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000799025699 581014529 /nfs/dbraw/zinc/01/45/29/581014529.db2.gz GFFLUGSEARMGLP-UHFFFAOYSA-N 1 0 349.387 1.730 20 5 EDBDRO O=[N+]([O-])c1cncc(Cl)c1NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000896523060 591492591 /nfs/dbraw/zinc/49/25/91/591492591.db2.gz MHWULCRHKXAAJX-NSHDSACASA-N 1 0 326.784 1.730 20 5 EDBDRO C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896561404 591514239 /nfs/dbraw/zinc/51/42/39/591514239.db2.gz AHGNCZWJDXXGJH-HZMBPMFUSA-N 1 0 340.811 1.612 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH2+]C3(CCCCC3)C2)n1 ZINC000895253250 591682855 /nfs/dbraw/zinc/68/28/55/591682855.db2.gz QPGFCGRQRUNDJG-UHFFFAOYSA-N 1 0 334.376 1.889 20 5 EDBDRO COc1cc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])cc1F ZINC000897221784 591776465 /nfs/dbraw/zinc/77/64/65/591776465.db2.gz OTSZFBHUCAJYLP-OLZOCXBDSA-N 1 0 339.367 1.778 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000897222534 591776741 /nfs/dbraw/zinc/77/67/41/591776741.db2.gz VOKKBXRMNWUTDL-KGLIPLIRSA-N 1 0 349.387 1.417 20 5 EDBDRO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000897266890 591794986 /nfs/dbraw/zinc/79/49/86/591794986.db2.gz UQPVKAFNQZCWMY-QGZVFWFLSA-N 1 0 345.399 1.807 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCC[N@@H+]4CCSC[C@H]34)nn21 ZINC000895566307 591807419 /nfs/dbraw/zinc/80/74/19/591807419.db2.gz JAWQEAKTYNVZCZ-GHMZBOCLSA-N 1 0 334.405 1.629 20 5 EDBDRO CCOC(=O)c1cc(N2CC[NH2+]C[C@@H]2CCOC)ccc1[N+](=O)[O-] ZINC000900437883 592017889 /nfs/dbraw/zinc/01/78/89/592017889.db2.gz DREVHUVBKPLGFD-ZDUSSCGKSA-N 1 0 337.376 1.586 20 5 EDBDRO COC[C@@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000900451669 592021365 /nfs/dbraw/zinc/02/13/65/592021365.db2.gz VMQUTBVYJZHGHS-AWEZNQCLSA-N 1 0 348.403 1.255 20 5 EDBDRO CN1CCOC[C@@]1(CO)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000903278017 592150047 /nfs/dbraw/zinc/15/00/47/592150047.db2.gz KRGRLLUHGRJQCZ-SJORKVTESA-N 1 0 335.404 1.255 20 5 EDBDRO C[C@@H]1C[NH2+]C[C@H]1CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000903431268 592168438 /nfs/dbraw/zinc/16/84/38/592168438.db2.gz PWNRWQJRNLQDSR-NEPJUHHUSA-N 1 0 338.433 1.270 20 5 EDBDRO CN(C(=O)CN1CCC[C@@H]2CC[C@]21C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000903800724 592326842 /nfs/dbraw/zinc/32/68/42/592326842.db2.gz YAMLHHXAFFPXMM-DYVFJYSZSA-N 1 0 332.404 1.761 20 5 EDBDRO COC[C@H]1C[NH2+]CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000903876381 592356615 /nfs/dbraw/zinc/35/66/15/592356615.db2.gz XTHIZNRVKBZNPQ-LLVKDONJSA-N 1 0 342.783 1.107 20 5 EDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906872421 592375597 /nfs/dbraw/zinc/37/55/97/592375597.db2.gz HAALTXSAOZCSRG-LBPRGKRZSA-N 1 0 349.387 1.828 20 5 EDBDRO COc1cc(CNC[C@H]2C[NH2+]CCC2(F)F)c([N+](=O)[O-])cc1OC ZINC000903954273 592395326 /nfs/dbraw/zinc/39/53/26/592395326.db2.gz CFSQXGXIDNQIPZ-LLVKDONJSA-N 1 0 345.346 1.946 20 5 EDBDRO CCN([C@H]1CCC[NH2+]CC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000905348808 592502377 /nfs/dbraw/zinc/50/23/77/592502377.db2.gz XQRZYAGHPRXWFH-NSHDSACASA-N 1 0 345.396 1.887 20 5 EDBDRO C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C[C@H]1CC[NH3+] ZINC000905696907 592627213 /nfs/dbraw/zinc/62/72/13/592627213.db2.gz DDICZWNKHNQBDX-GHMZBOCLSA-N 1 0 333.392 1.206 20 5 EDBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905926993 592685258 /nfs/dbraw/zinc/68/52/58/592685258.db2.gz XUOWETHHMROVGY-IRXDYDNUSA-N 1 0 338.404 1.708 20 5 EDBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C[C@]2(C)C1 ZINC000907547218 592702541 /nfs/dbraw/zinc/70/25/41/592702541.db2.gz CXDBYRNUTKULTB-YGRLFVJLSA-N 1 0 343.380 1.306 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC12CC[NH+](C)CC2 ZINC000907853634 592815881 /nfs/dbraw/zinc/81/58/81/592815881.db2.gz MPHZVBNZTASOJN-UHFFFAOYSA-N 1 0 339.417 1.762 20 5 EDBDRO CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911775372 593003089 /nfs/dbraw/zinc/00/30/89/593003089.db2.gz SGEDCMZFMUNZFT-HZPDHXFCSA-N 1 0 332.404 1.062 20 5 EDBDRO CN1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000911880441 593029894 /nfs/dbraw/zinc/02/98/94/593029894.db2.gz VUUTTXUFSWNMID-NSHDSACASA-N 1 0 340.811 1.282 20 5 EDBDRO C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(=O)N(C)C ZINC000838103695 593125047 /nfs/dbraw/zinc/12/50/47/593125047.db2.gz TVWRBZQQHSJDHP-SNVBAGLBSA-N 1 0 332.316 1.414 20 5 EDBDRO CN(CC(F)F)C1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000804535466 593421848 /nfs/dbraw/zinc/42/18/48/593421848.db2.gz KQVMXQAFOVKCSA-UHFFFAOYSA-N 1 0 344.362 1.835 20 5 EDBDRO CN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CCC([NH3+])CC1 ZINC000818528747 593703303 /nfs/dbraw/zinc/70/33/03/593703303.db2.gz CQTAOCHKRAXHEK-UHFFFAOYSA-N 1 0 335.360 1.708 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCOC2CCC2)cc1 ZINC000819120364 593739997 /nfs/dbraw/zinc/73/99/97/593739997.db2.gz PMRDADPKDGULRL-UHFFFAOYSA-N 1 0 328.390 1.527 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCCCS2(=O)=O)cc1 ZINC000819221753 593745070 /nfs/dbraw/zinc/74/50/70/593745070.db2.gz NSYVKNVMBQBWEF-UONOGXRCSA-N 1 0 328.390 1.185 20 5 EDBDRO C[N@@H+]1CCN(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000819286054 593748442 /nfs/dbraw/zinc/74/84/42/593748442.db2.gz DUUMDCVVJONAJK-MRXNPFEDSA-N 1 0 336.436 1.244 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000819313181 593750185 /nfs/dbraw/zinc/75/01/85/593750185.db2.gz YLAVVYCIMAEHAQ-SMDDNHRTSA-N 1 0 328.390 1.043 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000820070537 593788332 /nfs/dbraw/zinc/78/83/32/593788332.db2.gz FZUKTDWDGIESTM-QLPKVWCKSA-N 1 0 340.383 1.794 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820753061 593881913 /nfs/dbraw/zinc/88/19/13/593881913.db2.gz VXGNJKYPQJRFOD-GXFFZTMASA-N 1 0 331.380 1.551 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC[C@@H]21 ZINC000821625821 593887369 /nfs/dbraw/zinc/88/73/69/593887369.db2.gz WIZOXIONODADRH-PWSUYJOCSA-N 1 0 344.379 1.090 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000824101352 593929746 /nfs/dbraw/zinc/92/97/46/593929746.db2.gz QISVWEXYKVMMLN-OTVXOJSOSA-N 1 0 343.387 1.688 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C1 ZINC000821164938 593980568 /nfs/dbraw/zinc/98/05/68/593980568.db2.gz MKFGMAUEWKCAED-LLVKDONJSA-N 1 0 331.380 1.553 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCN3CCC(O)CC3)CC2)cc1 ZINC000825110828 594131413 /nfs/dbraw/zinc/13/14/13/594131413.db2.gz JIKQLIFVTKOMBO-UHFFFAOYSA-N 1 0 348.447 1.610 20 5 EDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000825172524 594141823 /nfs/dbraw/zinc/14/18/23/594141823.db2.gz VFVHATSGHVVAMD-CQSZACIVSA-N 1 0 331.376 1.449 20 5 EDBDRO [NH3+]CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(F)(F)F ZINC000825200722 594146542 /nfs/dbraw/zinc/14/65/42/594146542.db2.gz GUBLQZDSVLREGJ-SECBINFHSA-N 1 0 336.226 1.513 20 5 EDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825394208 594178004 /nfs/dbraw/zinc/17/80/04/594178004.db2.gz VGPUGSHMNBFXGK-IOASZLSFSA-N 1 0 335.404 1.865 20 5 EDBDRO O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000825743450 594235920 /nfs/dbraw/zinc/23/59/20/594235920.db2.gz XJLZRMVJPXKCIC-WBVHZDCISA-N 1 0 330.388 1.243 20 5 EDBDRO C[NH+]1CCC(C)(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000826023250 594308408 /nfs/dbraw/zinc/30/84/08/594308408.db2.gz ZRBNMFZBAQQBRH-UHFFFAOYSA-N 1 0 332.368 1.314 20 5 EDBDRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000830549000 594420054 /nfs/dbraw/zinc/42/00/54/594420054.db2.gz JUDANBQOHJKGBW-CQSZACIVSA-N 1 0 338.751 1.422 20 5 EDBDRO C[NH+](C)[C@@]1(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000826829786 594584506 /nfs/dbraw/zinc/58/45/06/594584506.db2.gz KIHLGJHWLBCAGL-UKRRQHHQSA-N 1 0 339.417 1.182 20 5 EDBDRO [NH3+]CCCCCCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000831257119 594593035 /nfs/dbraw/zinc/59/30/35/594593035.db2.gz OWECUJYKAXFBIV-UHFFFAOYSA-N 1 0 349.435 1.946 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000827462170 594674531 /nfs/dbraw/zinc/67/45/31/594674531.db2.gz KNFMCYQHKLWTSI-UHFFFAOYSA-N 1 0 346.431 1.755 20 5 EDBDRO CCO[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000831743279 594698382 /nfs/dbraw/zinc/69/83/82/594698382.db2.gz FNHXPKJGKNFDOR-HNNXBMFYSA-N 1 0 337.420 1.955 20 5 EDBDRO CCO[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000831777221 594702184 /nfs/dbraw/zinc/70/21/84/594702184.db2.gz UAMCNXIIIFWNJK-GFCCVEGCSA-N 1 0 325.365 1.057 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000832217433 594736133 /nfs/dbraw/zinc/73/61/33/594736133.db2.gz GBHVWNKQWCFKIN-GFCCVEGCSA-N 1 0 331.376 1.403 20 5 EDBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c2nccn21 ZINC000832427090 594749736 /nfs/dbraw/zinc/74/97/36/594749736.db2.gz QNZYOVSYEKEHRD-PSASIEDQSA-N 1 0 340.336 1.915 20 5 EDBDRO C[C@@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000833426867 594846460 /nfs/dbraw/zinc/84/64/60/594846460.db2.gz RNZFHSFXYDMLLW-SUMWQHHRSA-N 1 0 347.415 1.961 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000841201134 594867401 /nfs/dbraw/zinc/86/74/01/594867401.db2.gz QZBBSFHPHCKPNG-WPRPVWTQSA-N 1 0 338.339 1.177 20 5 EDBDRO [NH3+][C@@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000841965770 594991350 /nfs/dbraw/zinc/99/13/50/594991350.db2.gz JUCAPXOBFIUCFF-HNNXBMFYSA-N 1 0 333.392 1.164 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841989532 594996707 /nfs/dbraw/zinc/99/67/07/594996707.db2.gz PULRPWXSFBHCPM-CJNGLKHVSA-N 1 0 347.419 1.424 20 5 EDBDRO Cc1cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000104825179 595128394 /nfs/dbraw/zinc/12/83/94/595128394.db2.gz AZCVTASFNCVROE-UHFFFAOYSA-N 1 0 341.371 1.843 20 5 EDBDRO CCCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[N@H+](C)C1 ZINC000843987363 595231968 /nfs/dbraw/zinc/23/19/68/595231968.db2.gz DQWLPSBKOARPNR-OAHLLOKOSA-N 1 0 345.403 1.887 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000842915022 595234416 /nfs/dbraw/zinc/23/44/16/595234416.db2.gz QVMZXKUGGBCNSW-BDAKNGLRSA-N 1 0 335.813 1.961 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](CO)Cc2cccnc2)c1 ZINC000843111482 595289028 /nfs/dbraw/zinc/28/90/28/595289028.db2.gz SPYSELVASLJRSE-PBHICJAKSA-N 1 0 331.372 1.464 20 5 EDBDRO C[N@H+]1CC=C(CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000848585519 595409732 /nfs/dbraw/zinc/40/97/32/595409732.db2.gz AENPRUSOUUGOKZ-UHFFFAOYSA-N 1 0 341.314 1.945 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC[C@H](C)[NH+](C)C ZINC000850595892 595543846 /nfs/dbraw/zinc/54/38/46/595543846.db2.gz HKRVTGBVUGQLDL-VIFPVBQESA-N 1 0 340.355 1.437 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766769 595600723 /nfs/dbraw/zinc/60/07/23/595600723.db2.gz SCWGBIXQXJQGRM-SKDRFNHKSA-N 1 0 329.303 1.681 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000857766218 595600741 /nfs/dbraw/zinc/60/07/41/595600741.db2.gz OAAYQLWNLMMYAS-NXEZZACHSA-N 1 0 329.303 1.810 20 5 EDBDRO O=C(NCCC1=CC[NH2+]CC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857768400 595601821 /nfs/dbraw/zinc/60/18/21/595601821.db2.gz PXRFYZHGEQJJFM-UHFFFAOYSA-N 1 0 341.314 1.992 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000861034278 595871827 /nfs/dbraw/zinc/87/18/27/595871827.db2.gz NNZNVUWSJRRWJJ-LBPRGKRZSA-N 1 0 340.380 1.180 20 5 EDBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000853965639 595935917 /nfs/dbraw/zinc/93/59/17/595935917.db2.gz JEKZWLGPSQODNV-GFCCVEGCSA-N 1 0 336.348 1.538 20 5 EDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000861699737 596072136 /nfs/dbraw/zinc/07/21/36/596072136.db2.gz WUQMBHIMEBFBFY-SWLSCSKDSA-N 1 0 333.392 1.177 20 5 EDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)C[C@H]21 ZINC000861911338 596147187 /nfs/dbraw/zinc/14/71/87/596147187.db2.gz CGCYPAGVDUEQKZ-WOFXILAISA-N 1 0 333.373 1.232 20 5 EDBDRO CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852697543 596229023 /nfs/dbraw/zinc/22/90/23/596229023.db2.gz VSNBJQBZMHWBCE-HOCLYGCPSA-N 1 0 335.404 1.865 20 5 EDBDRO C[NH+](C)CC1CCN(C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)CC1 ZINC000870893628 596393416 /nfs/dbraw/zinc/39/34/16/596393416.db2.gz ZZLMVZRXHHMWEL-QGZVFWFLSA-N 1 0 334.420 1.569 20 5 EDBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863031522 596490848 /nfs/dbraw/zinc/49/08/48/596490848.db2.gz HRHMMQDSEOKBRW-HOTGVXAUSA-N 1 0 333.388 1.761 20 5 EDBDRO C[N@H+](CCNS(=O)(=O)c1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000119722462 596725278 /nfs/dbraw/zinc/72/52/78/596725278.db2.gz AXLKBZJMSZPQQR-UHFFFAOYSA-N 1 0 333.435 1.809 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)NCCc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000868317480 596785682 /nfs/dbraw/zinc/78/56/82/596785682.db2.gz KFEATYQDRNQREJ-LSDHHAIUSA-N 1 0 332.404 1.873 20 5 EDBDRO C[C@@H](C[NH+](C)C)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868337677 596791008 /nfs/dbraw/zinc/79/10/08/596791008.db2.gz HNVDCNIANXJABO-VIFPVBQESA-N 1 0 344.209 1.966 20 5 EDBDRO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866231698 596834825 /nfs/dbraw/zinc/83/48/25/596834825.db2.gz HTSOGJSRWXBPDH-QWHCGFSZSA-N 1 0 325.384 1.975 20 5 EDBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000866258415 596840597 /nfs/dbraw/zinc/84/05/97/596840597.db2.gz VQWPVUFAOIKPPV-UHFFFAOYSA-N 1 0 346.391 1.186 20 5 EDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000872664676 597020402 /nfs/dbraw/zinc/02/04/02/597020402.db2.gz NVSZEAOGAJGWPS-GJZGRUSLSA-N 1 0 339.417 1.593 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000874849101 597200993 /nfs/dbraw/zinc/20/09/93/597200993.db2.gz WKJDOWKKMAWVLB-VXGBXAGGSA-N 1 0 333.344 1.632 20 5 EDBDRO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000876730024 597309536 /nfs/dbraw/zinc/30/95/36/597309536.db2.gz AMMQFCRAEXALHK-LSDHHAIUSA-N 1 0 332.404 1.617 20 5 EDBDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000876732016 597311484 /nfs/dbraw/zinc/31/14/84/597311484.db2.gz WSBRYBJAJVSVNE-IDTUSYRASA-N 1 0 344.415 1.799 20 5 EDBDRO CN(C(=O)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCCCC1 ZINC000877077000 597427371 /nfs/dbraw/zinc/42/73/71/597427371.db2.gz SZYUHJSDSYFMRJ-UHFFFAOYSA-N 1 0 335.408 1.876 20 5 EDBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877281641 597486185 /nfs/dbraw/zinc/48/61/85/597486185.db2.gz NNITTYFCPXUQCL-HOCLYGCPSA-N 1 0 341.371 1.747 20 5 EDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877345708 597497030 /nfs/dbraw/zinc/49/70/30/597497030.db2.gz AHXABWXKOXNXJN-MRXNPFEDSA-N 1 0 325.368 1.968 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(F)(F)F ZINC000877365905 597502205 /nfs/dbraw/zinc/50/22/05/597502205.db2.gz ICZXSJQEGHJSOP-PWSUYJOCSA-N 1 0 331.294 1.733 20 5 EDBDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877623480 597542244 /nfs/dbraw/zinc/54/22/44/597542244.db2.gz QTFZQRRYCJPNNA-WTYVWECISA-N 1 0 326.422 1.774 20 5 EDBDRO C[S@](=O)CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000127151444 597610520 /nfs/dbraw/zinc/61/05/20/597610520.db2.gz DHNHRSVSOYRSPG-JOCHJYFZSA-N 1 0 325.434 1.922 20 5 EDBDRO COc1cccc([C@@H]2CN(Cc3cn(C)nc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC000879522154 597616023 /nfs/dbraw/zinc/61/60/23/597616023.db2.gz GGYYANHKISWYML-HNNXBMFYSA-N 1 0 331.376 1.483 20 5 EDBDRO CCOc1cc(C[NH+]2CCC(c3nnnn3C)CC2)ccc1[N+](=O)[O-] ZINC000879916932 597763007 /nfs/dbraw/zinc/76/30/07/597763007.db2.gz WKUFMZAZFRIWNE-UHFFFAOYSA-N 1 0 346.391 1.897 20 5 EDBDRO Cc1csc([C@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000880011120 597807725 /nfs/dbraw/zinc/80/77/25/597807725.db2.gz LWFLGLFYRMDGAZ-WCQYABFASA-N 1 0 337.405 1.407 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880135480 597851981 /nfs/dbraw/zinc/85/19/81/597851981.db2.gz WCBVAQRCKXYIJN-HUUCEWRRSA-N 1 0 348.403 1.710 20 5 EDBDRO COC(=O)C(C)(C)C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(C)C ZINC000880383238 597919085 /nfs/dbraw/zinc/91/90/85/597919085.db2.gz XBRSVDZTQILWBN-UHFFFAOYSA-N 1 0 326.397 1.949 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC([NH3+])CC2)c1 ZINC000193223370 695648265 /nfs/dbraw/zinc/64/82/65/695648265.db2.gz DWSBIOXLUGAOEK-UHFFFAOYSA-N 1 0 333.797 1.668 20 5 EDBDRO C[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000917416075 697014933 /nfs/dbraw/zinc/01/49/33/697014933.db2.gz SNMVPJHWEHHWMG-ZBFHGGJFSA-N 1 0 337.420 1.799 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000917661355 697057245 /nfs/dbraw/zinc/05/72/45/697057245.db2.gz WZQHULSTOUXQAL-LBPRGKRZSA-N 1 0 327.406 1.748 20 5 EDBDRO C[NH+]1C[C@@]2(C)CN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000918360204 697157628 /nfs/dbraw/zinc/15/76/28/697157628.db2.gz QDTGBBGVWCJNHM-STQMWFEESA-N 1 0 345.446 1.619 20 5 EDBDRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000918477014 697172185 /nfs/dbraw/zinc/17/21/85/697172185.db2.gz CDBVYHLVKFVPTH-JTQLQIEISA-N 1 0 340.767 1.397 20 5 EDBDRO CCO[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000921679363 706638755 /nfs/dbraw/zinc/63/87/55/706638755.db2.gz CGZLEZVSPNCJAL-HNNXBMFYSA-N 1 0 338.408 1.403 20 5 EDBDRO Cc1ccc(CC[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000996429945 702784094 /nfs/dbraw/zinc/78/40/94/702784094.db2.gz XFZHQRFZQYUQMW-IAGOWNOFSA-N 1 0 331.416 1.783 20 5 EDBDRO CCO[C@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000922645675 704176129 /nfs/dbraw/zinc/17/61/29/704176129.db2.gz MEBPOFIOWGYYGW-SWLSCSKDSA-N 1 0 338.408 1.922 20 5 EDBDRO O=C(c1cn[nH]n1)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997881211 704785653 /nfs/dbraw/zinc/78/56/53/704785653.db2.gz ADULUXYKELRSAJ-UHFFFAOYSA-N 1 0 344.375 1.355 20 5 EDBDRO O=C(NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)c1ccn[nH]1 ZINC001002380479 708884154 /nfs/dbraw/zinc/88/41/54/708884154.db2.gz KXPGUUQCZDPITI-UHFFFAOYSA-N 1 0 329.360 1.712 20 5 EDBDRO Cc1cc(F)ccc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002787409 709393528 /nfs/dbraw/zinc/39/35/28/709393528.db2.gz JQDLZQUKFXRTFG-HZPDHXFCSA-N 1 0 335.379 1.880 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CC[C@H](NC(=O)c2ccc[nH]2)CC1 ZINC001034591245 710271327 /nfs/dbraw/zinc/27/13/27/710271327.db2.gz BEPGYHWIIFGTJE-HAQNSBGRSA-N 1 0 346.391 1.487 20 5 EDBDRO C[N@H+](CCOc1ccccc1F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174695202 529927796 /nfs/dbraw/zinc/92/77/96/529927796.db2.gz LIVPUTGJBCNWIY-ZDUSSCGKSA-N 1 0 338.339 1.302 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1F ZINC000412370206 304002285 /nfs/dbraw/zinc/00/22/85/304002285.db2.gz XNCFVLVRSVJJLY-PHIMTYICSA-N 1 0 339.367 1.836 20 5 EDBDRO CC(C)c1ccc(CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000563430418 306332825 /nfs/dbraw/zinc/33/28/25/306332825.db2.gz BEYUCZVRRBHWIK-ZFWWWQNUSA-N 1 0 332.404 1.462 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081290569 138265923 /nfs/dbraw/zinc/26/59/23/138265923.db2.gz HXCJEDYIXKSRGG-CQSZACIVSA-N 1 0 335.408 1.480 20 5 EDBDRO Cc1c(NC(=O)CC[NH+]2CCC(C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000026218770 202140728 /nfs/dbraw/zinc/14/07/28/202140728.db2.gz JLESWPJBEOLIPG-UHFFFAOYSA-N 1 0 334.376 1.429 20 5 EDBDRO COc1ccc(CC(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000563616226 306342127 /nfs/dbraw/zinc/34/21/27/306342127.db2.gz TWPFQVRLQRVARE-DYEKYZERSA-N 1 0 335.404 1.978 20 5 EDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000186945588 236073951 /nfs/dbraw/zinc/07/39/51/236073951.db2.gz FFCHTCSTRCWTFH-NSHDSACASA-N 1 0 336.392 1.094 20 5 EDBDRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000178927821 138747927 /nfs/dbraw/zinc/74/79/27/138747927.db2.gz OYXWZZGGYXDXCG-SECBINFHSA-N 1 0 347.824 1.996 20 5 EDBDRO C[C@H]1CCCN(C(C)(C)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000564846967 306367066 /nfs/dbraw/zinc/36/70/66/306367066.db2.gz GHFJIUZFYBYEEC-DZGCQCFKSA-N 1 0 339.440 1.252 20 5 EDBDRO CNC(=O)c1ccc(N2CC[C@H](OCC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000352051847 283479815 /nfs/dbraw/zinc/47/98/15/283479815.db2.gz FWAAPIBHNOAORL-ZDUSSCGKSA-N 1 0 336.392 1.111 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000049275119 201112582 /nfs/dbraw/zinc/11/25/82/201112582.db2.gz YODBVOTUIWPQNN-UHFFFAOYSA-N 1 0 334.376 1.444 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000068117473 201161995 /nfs/dbraw/zinc/16/19/95/201161995.db2.gz DTDBOSSGPGGNAW-HNNXBMFYSA-N 1 0 337.424 1.808 20 5 EDBDRO CN(C)CC[NH+]1CCC(CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000074138225 203281842 /nfs/dbraw/zinc/28/18/42/203281842.db2.gz UPAZWZAIPVMPES-UHFFFAOYSA-N 1 0 334.420 1.598 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000193252638 138964691 /nfs/dbraw/zinc/96/46/91/138964691.db2.gz PMMFTKVIKQOBQP-VIFPVBQESA-N 1 0 333.797 1.526 20 5 EDBDRO COc1ccc(-c2ccc(CN(C)C[C@H](O)C[NH3+])o2)c([N+](=O)[O-])c1 ZINC000415069883 304156962 /nfs/dbraw/zinc/15/69/62/304156962.db2.gz PJLWITRVTOIQQJ-LLVKDONJSA-N 1 0 335.360 1.615 20 5 EDBDRO CC(C)(C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000151881114 204131900 /nfs/dbraw/zinc/13/19/00/204131900.db2.gz OBDBUNYLDJOJQD-UHFFFAOYSA-N 1 0 330.182 1.753 20 5 EDBDRO CC[N@H+](C)CCNC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000119776297 204302605 /nfs/dbraw/zinc/30/26/05/204302605.db2.gz IQWSZZSDQLUWAB-UHFFFAOYSA-N 1 0 337.424 1.956 20 5 EDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000110997035 204331302 /nfs/dbraw/zinc/33/13/02/204331302.db2.gz QGDZXEWPUBNAKJ-AWEZNQCLSA-N 1 0 349.387 1.777 20 5 EDBDRO CN(C)C(=O)CCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237138672 139041930 /nfs/dbraw/zinc/04/19/30/139041930.db2.gz ZNPUPANKBCMOQU-UHFFFAOYSA-N 1 0 345.403 1.953 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000237368833 139049411 /nfs/dbraw/zinc/04/94/11/139049411.db2.gz YSLKNAGMRGDAIP-YPMHNXCESA-N 1 0 344.375 1.375 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127262802 205091875 /nfs/dbraw/zinc/09/18/75/205091875.db2.gz FCDCYBMNQIHVLF-AWEZNQCLSA-N 1 0 333.388 1.918 20 5 EDBDRO CNC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000111266256 220126708 /nfs/dbraw/zinc/12/67/08/220126708.db2.gz FFGDOBKHDROMAI-GFCCVEGCSA-N 1 0 334.376 1.381 20 5 EDBDRO C[NH+](C)Cc1cccc(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)c1 ZINC000133175456 205360255 /nfs/dbraw/zinc/36/02/55/205360255.db2.gz UVGHYMJTLQPNBT-UHFFFAOYSA-N 1 0 346.391 1.352 20 5 EDBDRO Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)nnn1C1CC[NH2+]CC1 ZINC000237581143 139054716 /nfs/dbraw/zinc/05/47/16/139054716.db2.gz UNSIKZCSLSVPNL-UHFFFAOYSA-N 1 0 330.348 1.672 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC1([NH3+])CCCCC1 ZINC000237621221 139056010 /nfs/dbraw/zinc/05/60/10/139056010.db2.gz SQNJPNBHBJJQPS-LBPRGKRZSA-N 1 0 348.403 1.491 20 5 EDBDRO [NH3+]C[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000237889150 139062784 /nfs/dbraw/zinc/06/27/84/139062784.db2.gz PHUAEBKBTRCVCU-GFCCVEGCSA-N 1 0 329.360 1.591 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000237845000 139061759 /nfs/dbraw/zinc/06/17/59/139061759.db2.gz VFNORTZOGQPNTA-FOSCPWQOSA-N 1 0 325.390 1.465 20 5 EDBDRO [NH3+][C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000238006839 139066250 /nfs/dbraw/zinc/06/62/50/139066250.db2.gz MLSXBUVJAWQERL-CJNGLKHVSA-N 1 0 341.371 1.703 20 5 EDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000238131961 139069410 /nfs/dbraw/zinc/06/94/10/139069410.db2.gz ZILUHGCEFWEGKJ-INIZCTEOSA-N 1 0 340.383 1.837 20 5 EDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000155419607 206005773 /nfs/dbraw/zinc/00/57/73/206005773.db2.gz XSCGBLDUTYBLJK-AAEUAGOBSA-N 1 0 336.392 1.203 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415322845 304194581 /nfs/dbraw/zinc/19/45/81/304194581.db2.gz CGVMSZNPCTWVLF-FUNVUKJBSA-N 1 0 346.387 1.495 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CCO)C(C)C ZINC000162269610 206393130 /nfs/dbraw/zinc/39/31/30/206393130.db2.gz WWPMGESQLDWTAC-CYBMUJFWSA-N 1 0 339.392 1.929 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000266001311 248017052 /nfs/dbraw/zinc/01/70/52/248017052.db2.gz DXIQUEGBRIHGII-UHFFFAOYSA-N 1 0 346.431 1.377 20 5 EDBDRO C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000249713397 139197405 /nfs/dbraw/zinc/19/74/05/139197405.db2.gz ZUQJFAGJITVMTI-QWHCGFSZSA-N 1 0 341.433 1.994 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261611251 139210906 /nfs/dbraw/zinc/21/09/06/139210906.db2.gz CCUNTIDUYMCFLT-MEDUHNTESA-N 1 0 336.392 1.601 20 5 EDBDRO Cc1cc(S(=O)(=O)NCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000172015861 206779921 /nfs/dbraw/zinc/77/99/21/206779921.db2.gz UKSBHQOTNWJCAU-UHFFFAOYSA-N 1 0 327.406 1.667 20 5 EDBDRO C[C@@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC[NH2+]C1 ZINC000261828262 139229663 /nfs/dbraw/zinc/22/96/63/139229663.db2.gz BEEKELMZSAGIAO-CYBMUJFWSA-N 1 0 347.824 1.916 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000261830418 139229718 /nfs/dbraw/zinc/22/97/18/139229718.db2.gz XPTTYKAWKGKEOZ-NSHDSACASA-N 1 0 343.405 1.353 20 5 EDBDRO C[NH2+][C@H](C)Cc1noc(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000261900229 139235202 /nfs/dbraw/zinc/23/52/02/139235202.db2.gz YLUHKKQVKCVUEN-SECBINFHSA-N 1 0 334.332 1.490 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000415427249 250926156 /nfs/dbraw/zinc/92/61/56/250926156.db2.gz BQUTYDYVHAKCQI-RYUDHWBXSA-N 1 0 334.376 1.428 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000174509797 207024606 /nfs/dbraw/zinc/02/46/06/207024606.db2.gz AHKXQBQAROYCIG-LLVKDONJSA-N 1 0 336.348 1.917 20 5 EDBDRO Cc1ccc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)cc1[N+](=O)[O-] ZINC000262143962 139254782 /nfs/dbraw/zinc/25/47/82/139254782.db2.gz FHRRJDBLHBVVSQ-UHFFFAOYSA-N 1 0 341.371 1.960 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000262320947 139269915 /nfs/dbraw/zinc/26/99/15/139269915.db2.gz QXIRSZLDLKTWDK-VHSXEESVSA-N 1 0 347.824 1.914 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000262340274 139271508 /nfs/dbraw/zinc/27/15/08/139271508.db2.gz GTLYVELOBTZVJE-UHFFFAOYSA-N 1 0 331.376 1.477 20 5 EDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262379223 139274599 /nfs/dbraw/zinc/27/45/99/139274599.db2.gz MSAROVPVQDCPMW-VXGBXAGGSA-N 1 0 329.360 1.590 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCCc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000417757813 251258187 /nfs/dbraw/zinc/25/81/87/251258187.db2.gz BQLICPNIGDCRQV-RRFJBIMHSA-N 1 0 332.404 1.906 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)n1 ZINC000176245947 207207221 /nfs/dbraw/zinc/20/72/21/207207221.db2.gz NUZXSUVQMDCNGV-LBPRGKRZSA-N 1 0 331.380 1.209 20 5 EDBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418442358 251371828 /nfs/dbraw/zinc/37/18/28/251371828.db2.gz DPWAWSHEYIKUGE-PBWFPOADSA-N 1 0 346.387 1.782 20 5 EDBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262621703 139290824 /nfs/dbraw/zinc/29/08/24/139290824.db2.gz IRZVTVAZCSHKPI-KGLIPLIRSA-N 1 0 341.371 1.747 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[NH2+]C2)c(S(=O)(=O)N2CCCC2)c1 ZINC000420134714 251608833 /nfs/dbraw/zinc/60/88/33/251608833.db2.gz FSLFTTNTRDFGIX-NSHDSACASA-N 1 0 340.405 1.153 20 5 EDBDRO CS(=O)(=O)c1cccc(N2CCC3(C2)CC[NH2+]CC3)c1[N+](=O)[O-] ZINC000420227950 251649858 /nfs/dbraw/zinc/64/98/58/251649858.db2.gz QBHDXJXIWIBLDD-UHFFFAOYSA-N 1 0 339.417 1.578 20 5 EDBDRO CC1(C)CCC[NH2+][C@@H]1CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000420245538 251656552 /nfs/dbraw/zinc/65/65/52/251656552.db2.gz QQFPLIFMWXHKIH-CYBMUJFWSA-N 1 0 342.421 1.432 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262857952 139308456 /nfs/dbraw/zinc/30/84/56/139308456.db2.gz TUJGVDVPDIEBOE-BXUZGUMPSA-N 1 0 329.360 1.508 20 5 EDBDRO C[NH2+]CCCN(C)C(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000423094638 252037026 /nfs/dbraw/zinc/03/70/26/252037026.db2.gz CIPHPTPWTYJIPY-UHFFFAOYSA-N 1 0 348.403 1.154 20 5 EDBDRO [NH3+][C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000423855475 252092866 /nfs/dbraw/zinc/09/28/66/252092866.db2.gz WVNGDJSLMKJZRX-ZDUSSCGKSA-N 1 0 327.768 1.618 20 5 EDBDRO C[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000424029873 252120545 /nfs/dbraw/zinc/12/05/45/252120545.db2.gz ZSZOEJGYWYAFRG-GHMZBOCLSA-N 1 0 344.371 1.906 20 5 EDBDRO Cn1cc([C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)C[C@H]2[NH3+])cn1 ZINC000424293124 252192636 /nfs/dbraw/zinc/19/26/36/252192636.db2.gz NOYBEZWPFSXNTO-JKSUJKDBSA-N 1 0 331.376 1.134 20 5 EDBDRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000424365942 252201385 /nfs/dbraw/zinc/20/13/85/252201385.db2.gz WSUBUHMXLUMCPY-CHWSQXEVSA-N 1 0 327.406 1.327 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000415610510 304238459 /nfs/dbraw/zinc/23/84/59/304238459.db2.gz XFZKITLFFLYUAU-DRZSPHRISA-N 1 0 332.360 1.037 20 5 EDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000178954746 207558979 /nfs/dbraw/zinc/55/89/79/207558979.db2.gz ARMLTQOIUXXXDB-SNVBAGLBSA-N 1 0 330.344 1.166 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3C[NH2+]C[C@H]3O)cs2)c1 ZINC000263304799 139334659 /nfs/dbraw/zinc/33/46/59/139334659.db2.gz XQMUQUKNSHUPET-BXUZGUMPSA-N 1 0 334.401 1.388 20 5 EDBDRO CCCC[N@H+](C)CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000112309025 220298155 /nfs/dbraw/zinc/29/81/55/220298155.db2.gz KSGGNNQCFBGJNY-UHFFFAOYSA-N 1 0 346.391 1.637 20 5 EDBDRO CCOc1cc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000570154723 306531602 /nfs/dbraw/zinc/53/16/02/306531602.db2.gz IKIQMAQBQRLUJS-LBPRGKRZSA-N 1 0 349.387 1.969 20 5 EDBDRO C[NH+]1CCC(C)(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000570237166 306534140 /nfs/dbraw/zinc/53/41/40/306534140.db2.gz CGUMPXFEEDXNDW-UHFFFAOYSA-N 1 0 335.360 1.785 20 5 EDBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC000486945383 255020813 /nfs/dbraw/zinc/02/08/13/255020813.db2.gz PFFWTOUUELFKDE-BXUZGUMPSA-N 1 0 341.433 1.897 20 5 EDBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@@H](C)C1 ZINC000488711331 255050148 /nfs/dbraw/zinc/05/01/48/255050148.db2.gz HHEDVRPPIWTPCZ-MISXGVKJSA-N 1 0 333.392 1.255 20 5 EDBDRO CC[C@H](CO)[NH+]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000492181266 255160427 /nfs/dbraw/zinc/16/04/27/255160427.db2.gz ANSLLNSFRGDSJZ-IDTUSYRASA-N 1 0 333.388 1.523 20 5 EDBDRO CCOC(=O)N(C)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000493176344 255194336 /nfs/dbraw/zinc/19/43/36/255194336.db2.gz HRVJXQZRXFUJEZ-UHFFFAOYSA-N 1 0 325.369 1.344 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000420427653 291991694 /nfs/dbraw/zinc/99/16/94/291991694.db2.gz RUTONTVFOJGPHK-PWSUYJOCSA-N 1 0 327.406 1.569 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269183216 139889929 /nfs/dbraw/zinc/88/99/29/139889929.db2.gz IXLXNNFCOYNYGB-DOMZBBRYSA-N 1 0 348.403 1.443 20 5 EDBDRO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H]1CCC[C@H]1O ZINC000270059087 140040172 /nfs/dbraw/zinc/04/01/72/140040172.db2.gz GRCWOQPWKZVGOM-CZUORRHYSA-N 1 0 333.388 1.577 20 5 EDBDRO C[NH+]1CCC([C@H]2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000270065600 140041139 /nfs/dbraw/zinc/04/11/39/140041139.db2.gz GBFYVLDRFBZJCP-AWEZNQCLSA-N 1 0 335.408 1.372 20 5 EDBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270382665 140089945 /nfs/dbraw/zinc/08/99/45/140089945.db2.gz QCLNRIQUADIPKJ-OLZOCXBDSA-N 1 0 326.378 1.985 20 5 EDBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1csc([N+](=O)[O-])c1 ZINC000270736520 140158841 /nfs/dbraw/zinc/15/88/41/140158841.db2.gz ZIDZISBFBTZQJS-GFCCVEGCSA-N 1 0 327.406 1.623 20 5 EDBDRO C[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000270830310 140178472 /nfs/dbraw/zinc/17/84/72/140178472.db2.gz SVHQYYHIHHKQOO-LLVKDONJSA-N 1 0 340.811 1.614 20 5 EDBDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000271108171 140238353 /nfs/dbraw/zinc/23/83/53/140238353.db2.gz MVNUMMUVGDIKAA-LBPRGKRZSA-N 1 0 329.422 1.397 20 5 EDBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000331782751 141080492 /nfs/dbraw/zinc/08/04/92/141080492.db2.gz SMZOGTJECHPIPS-MCIONIFRSA-N 1 0 335.408 1.655 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)ccc1[N+](=O)[O-] ZINC000331827847 141085687 /nfs/dbraw/zinc/08/56/87/141085687.db2.gz PYVRCFBBRMAHTI-SMDDNHRTSA-N 1 0 325.390 1.276 20 5 EDBDRO O=C(CCN1CC[NH+](CC2CC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000339291834 142005429 /nfs/dbraw/zinc/00/54/29/142005429.db2.gz WCSBONGVVZTFIA-UHFFFAOYSA-N 1 0 332.404 1.951 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(CC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000339396641 142036436 /nfs/dbraw/zinc/03/64/36/142036436.db2.gz YNRVKWOVYRCJHH-HZPDHXFCSA-N 1 0 348.403 1.328 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000378016419 292086835 /nfs/dbraw/zinc/08/68/35/292086835.db2.gz PWNOHMMXXUUPAK-STQMWFEESA-N 1 0 339.417 1.442 20 5 EDBDRO CCN(CCC[NH+](C)C)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000344803477 143013640 /nfs/dbraw/zinc/01/36/40/143013640.db2.gz BXDQOMZUOLREKR-UHFFFAOYSA-N 1 0 329.422 1.776 20 5 EDBDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000345307032 143075894 /nfs/dbraw/zinc/07/58/94/143075894.db2.gz RXOHTVHBVWUTHV-FABXCBLPSA-N 1 0 343.387 1.951 20 5 EDBDRO CO[C@H]1C[C@H](CN(C)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[N@H+](C)C1 ZINC000346787229 143245850 /nfs/dbraw/zinc/24/58/50/143245850.db2.gz GPHYYXZQBKVMPJ-KGLIPLIRSA-N 1 0 340.355 1.917 20 5 EDBDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000416495076 304324742 /nfs/dbraw/zinc/32/47/42/304324742.db2.gz KPYPKRQKSKYLBW-VIFPVBQESA-N 1 0 333.797 1.478 20 5 EDBDRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000347234661 143298216 /nfs/dbraw/zinc/29/82/16/143298216.db2.gz ZUFSPVDRQOTLRM-FZMZJTMJSA-N 1 0 335.360 1.807 20 5 EDBDRO O=C(NCC[N@@H+]1CCCOCC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347302264 143305672 /nfs/dbraw/zinc/30/56/72/143305672.db2.gz MGUDYANYJOFTEZ-UHFFFAOYSA-N 1 0 326.328 1.578 20 5 EDBDRO CN(C)C(=O)CN1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000573575508 306625076 /nfs/dbraw/zinc/62/50/76/306625076.db2.gz CLOGDNFKLRJINJ-MRXNPFEDSA-N 1 0 346.431 1.724 20 5 EDBDRO C[C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[NH+]1CC(C)C1 ZINC000573624082 306627325 /nfs/dbraw/zinc/62/73/25/306627325.db2.gz SOYBOVKTWIDQJK-OLZOCXBDSA-N 1 0 333.392 1.343 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000355343282 150225711 /nfs/dbraw/zinc/22/57/11/150225711.db2.gz ZCBQYBCAJZPYDJ-GJZGRUSLSA-N 1 0 337.351 1.669 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3NC)[C@@H]2C1 ZINC000355390069 150249546 /nfs/dbraw/zinc/24/95/46/150249546.db2.gz UHYDLJHPKYBZTI-CABCVRRESA-N 1 0 348.403 1.572 20 5 EDBDRO CC[C@@H]1C[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000355753292 150386058 /nfs/dbraw/zinc/38/60/58/150386058.db2.gz ZLUMCLYVVAAZNU-OCCSQVGLSA-N 1 0 338.360 1.349 20 5 EDBDRO COC(=O)COc1ccc(CN2C[C@H]3CCC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000355756123 150387529 /nfs/dbraw/zinc/38/75/29/150387529.db2.gz KNHGYRGCEFZZPV-ZIAGYGMSSA-N 1 0 349.387 1.330 20 5 EDBDRO COc1cc2c(cc1OC)CC[NH+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000369995583 155273175 /nfs/dbraw/zinc/27/31/75/155273175.db2.gz ADZMYPFDNLAOST-UHFFFAOYSA-N 1 0 346.387 1.909 20 5 EDBDRO C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000357594568 151078535 /nfs/dbraw/zinc/07/85/35/151078535.db2.gz NIWMAFXXOFNNTO-MRVPVSSYSA-N 1 0 328.756 1.253 20 5 EDBDRO CCC[N@H+](CC)C[C@H](C)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000357804245 151156627 /nfs/dbraw/zinc/15/66/27/151156627.db2.gz LKMZDZRBBBGNGO-NSHDSACASA-N 1 0 344.437 1.775 20 5 EDBDRO C[C@H]1CCC[C@@](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)([NH+](C)C)C1 ZINC000357875706 151180757 /nfs/dbraw/zinc/18/07/57/151180757.db2.gz BVERUQUJFQUCNV-MEDUHNTESA-N 1 0 336.392 1.936 20 5 EDBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000357878208 151181753 /nfs/dbraw/zinc/18/17/53/151181753.db2.gz HUIKJRGWNUOAHY-LBPRGKRZSA-N 1 0 326.401 1.211 20 5 EDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1ncn(C)n1 ZINC000358385904 151358635 /nfs/dbraw/zinc/35/86/35/151358635.db2.gz RSYHYBRXLGYZNR-NSHDSACASA-N 1 0 332.364 1.273 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CN3CCCC[C@H]3CO2)c1 ZINC000360736402 152176456 /nfs/dbraw/zinc/17/64/56/152176456.db2.gz FWMYFUAKBKDZHU-GXTWGEPZSA-N 1 0 349.387 1.587 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000360845789 152227035 /nfs/dbraw/zinc/22/70/35/152227035.db2.gz BTFOTHLKJCYEER-WMLDXEAASA-N 1 0 346.431 1.693 20 5 EDBDRO Nc1c(C(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000370164699 155358445 /nfs/dbraw/zinc/35/84/45/155358445.db2.gz XYQBXFYHEBKOPS-TZMCWYRMSA-N 1 0 348.403 1.408 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccccc1[N+](=O)[O-] ZINC000362158988 152631813 /nfs/dbraw/zinc/63/18/13/152631813.db2.gz ZEEKYHSFKWYCEE-DAXOMENPSA-N 1 0 333.388 1.919 20 5 EDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000362556130 152742642 /nfs/dbraw/zinc/74/26/42/152742642.db2.gz QIITZQPXDMXXJJ-LLVKDONJSA-N 1 0 344.375 1.237 20 5 EDBDRO COc1ccc(CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000417177125 304380738 /nfs/dbraw/zinc/38/07/38/304380738.db2.gz CRHNUKJMMWSQQI-XQQFMLRXSA-N 1 0 334.376 1.482 20 5 EDBDRO CN(CCn1cc([N+](=O)[O-])cn1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363586272 153006578 /nfs/dbraw/zinc/00/65/78/153006578.db2.gz JDYSMEJHTNESNS-UHFFFAOYSA-N 1 0 337.424 1.367 20 5 EDBDRO CCOC(=O)c1cc(N2CCN3CCOC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000363774015 153052756 /nfs/dbraw/zinc/05/27/56/153052756.db2.gz GCSFYNYTQQXPDU-CYBMUJFWSA-N 1 0 335.360 1.292 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2CCN3CCOC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000363801107 153060358 /nfs/dbraw/zinc/06/03/58/153060358.db2.gz RZEYLNDAILPDBB-AWEZNQCLSA-N 1 0 348.403 1.248 20 5 EDBDRO Cc1nn(C)c(C(=O)N2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000364302700 153200207 /nfs/dbraw/zinc/20/02/07/153200207.db2.gz IAZSEEUQPAOGPQ-STQMWFEESA-N 1 0 347.350 1.343 20 5 EDBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000364952502 153381510 /nfs/dbraw/zinc/38/15/10/153381510.db2.gz CVZHMSYNFSPDSG-OZVIIMIRSA-N 1 0 346.387 1.509 20 5 EDBDRO COc1ccc(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)c([N+](=O)[O-])c1 ZINC000365710713 153597138 /nfs/dbraw/zinc/59/71/38/153597138.db2.gz JFVZZEQDQOLJKP-JGPRNRPPSA-N 1 0 341.389 1.246 20 5 EDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCN(Cc2ccncc2)CC1 ZINC000367556040 154174778 /nfs/dbraw/zinc/17/47/78/154174778.db2.gz GBPHVDHRLYBTBI-UHFFFAOYSA-N 1 0 344.419 1.783 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000367583821 154187915 /nfs/dbraw/zinc/18/79/15/154187915.db2.gz SWROOBLBNFNQKL-GWCFXTLKSA-N 1 0 343.380 1.449 20 5 EDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371583580 156016812 /nfs/dbraw/zinc/01/68/12/156016812.db2.gz NGCGGWLZWMKRJP-SCRDCRAPSA-N 1 0 331.376 1.360 20 5 EDBDRO CC[NH+]1CCN([C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3OC)C2)CC1 ZINC000373779195 157000684 /nfs/dbraw/zinc/00/06/84/157000684.db2.gz XKNSNILLGNRLAW-KRWDZBQOSA-N 1 0 348.447 1.815 20 5 EDBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000374002419 157101699 /nfs/dbraw/zinc/10/16/99/157101699.db2.gz LGLWOVNAOCCCPI-SLUKUZTOSA-N 1 0 329.400 1.963 20 5 EDBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000376680842 157814942 /nfs/dbraw/zinc/81/49/42/157814942.db2.gz PBDZXHGCOBPTLX-BLLLJJGKSA-N 1 0 341.371 1.605 20 5 EDBDRO COc1ccc([C@@H](O)[C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000378249128 158120541 /nfs/dbraw/zinc/12/05/41/158120541.db2.gz OJIPWNVWTOOEGG-IAGOWNOFSA-N 1 0 346.387 1.998 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)n1 ZINC000378407552 158165918 /nfs/dbraw/zinc/16/59/18/158165918.db2.gz XTFJRCCYQFBNMH-STQMWFEESA-N 1 0 329.360 1.156 20 5 EDBDRO C[C@@H]([NH2+]C[C@@H]1CCCN1S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000338119718 287033514 /nfs/dbraw/zinc/03/35/14/287033514.db2.gz LMVDFNYANJZHOR-RISCZKNCSA-N 1 0 327.406 1.669 20 5 EDBDRO CCC[NH+]1CCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000049930765 287219105 /nfs/dbraw/zinc/21/91/05/287219105.db2.gz UVCBCCAVXBNOGY-CYBMUJFWSA-N 1 0 348.403 1.267 20 5 EDBDRO CN(CC[NH+]1CCCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000089900125 287324725 /nfs/dbraw/zinc/32/47/25/287324725.db2.gz FZXYLEIIOXMHQC-INIZCTEOSA-N 1 0 332.404 1.728 20 5 EDBDRO Cc1cc(C(=O)NCCCC[NH+]2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000122469773 287380720 /nfs/dbraw/zinc/38/07/20/287380720.db2.gz MSFGCBPAPLKHOK-UHFFFAOYSA-N 1 0 334.420 1.661 20 5 EDBDRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000123274683 287386768 /nfs/dbraw/zinc/38/67/68/287386768.db2.gz IMMZDCZEVHFZBO-NXEZZACHSA-N 1 0 333.797 1.796 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000124407969 287398058 /nfs/dbraw/zinc/39/80/58/287398058.db2.gz CGJATOBFZAKBQT-FZMZJTMJSA-N 1 0 341.433 1.905 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)c([N+](=O)[O-])c1 ZINC000124460378 287398425 /nfs/dbraw/zinc/39/84/25/287398425.db2.gz UUGXCJQNQXVHLS-CQSZACIVSA-N 1 0 329.422 1.945 20 5 EDBDRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000274731663 273098303 /nfs/dbraw/zinc/09/83/03/273098303.db2.gz ULMCTLIYKFZKCO-LBPRGKRZSA-N 1 0 327.406 1.746 20 5 EDBDRO COc1cc(C(=O)NCC2([NH+](C)C)CCC2)c([N+](=O)[O-])cc1OC ZINC000276079798 273148379 /nfs/dbraw/zinc/14/83/79/273148379.db2.gz WXOHVUISYDWRMA-UHFFFAOYSA-N 1 0 337.376 1.826 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000277270501 273185467 /nfs/dbraw/zinc/18/54/67/273185467.db2.gz RQEUVEUDQJWODC-LSDHHAIUSA-N 1 0 337.420 1.751 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC([NH2+]CCO)CC1 ZINC000279358811 273295094 /nfs/dbraw/zinc/29/50/94/273295094.db2.gz KDUIHMQJOPWXBU-UHFFFAOYSA-N 1 0 337.376 1.241 20 5 EDBDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 ZINC000363918888 273532269 /nfs/dbraw/zinc/53/22/69/273532269.db2.gz IJCPYJBTLQTQDC-CYBMUJFWSA-N 1 0 336.392 1.428 20 5 EDBDRO COC[C@]1(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000262418666 274052795 /nfs/dbraw/zinc/05/27/95/274052795.db2.gz DVBNAZCDVJXGDN-CQSZACIVSA-N 1 0 327.768 1.747 20 5 EDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000284527065 274234152 /nfs/dbraw/zinc/23/41/52/274234152.db2.gz WNOOECQDGIAMGF-YGRLFVJLSA-N 1 0 336.367 1.872 20 5 EDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[N@H+](C)C1 ZINC000284774666 274326834 /nfs/dbraw/zinc/32/68/34/274326834.db2.gz XSXAERDXMXPKFY-MYNUTGAYSA-N 1 0 333.388 1.786 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000284845800 274356708 /nfs/dbraw/zinc/35/67/08/274356708.db2.gz CMQMOAJTABSZLV-KGLIPLIRSA-N 1 0 339.779 1.793 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCN(C)C1=O ZINC000341307428 274472557 /nfs/dbraw/zinc/47/25/57/274472557.db2.gz KWOAWWZPRXHWLW-BXUZGUMPSA-N 1 0 334.376 1.522 20 5 EDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000285406828 274531494 /nfs/dbraw/zinc/53/14/94/274531494.db2.gz CWKXOJURZTWYBU-OAGGEKHMSA-N 1 0 349.431 1.893 20 5 EDBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1C ZINC000262701249 274633007 /nfs/dbraw/zinc/63/30/07/274633007.db2.gz ASYAUSHQJGPFCP-VXGBXAGGSA-N 1 0 329.360 1.603 20 5 EDBDRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000236650906 276020798 /nfs/dbraw/zinc/02/07/98/276020798.db2.gz QIYLKPCOEGLDII-CQSZACIVSA-N 1 0 329.422 1.730 20 5 EDBDRO CC[NH+](CC)CC(=O)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000264251653 276093683 /nfs/dbraw/zinc/09/36/83/276093683.db2.gz XQUBPBYEGYNSNS-UHFFFAOYSA-N 1 0 338.383 1.724 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000276933918 276870290 /nfs/dbraw/zinc/87/02/90/276870290.db2.gz AMTRUOLKGGFIOO-NSHDSACASA-N 1 0 345.396 1.839 20 5 EDBDRO COC(=O)c1cc(N2CC[C@@H](N3CC[NH2+]CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000420242736 277423455 /nfs/dbraw/zinc/42/34/55/277423455.db2.gz CDILRTHUTVDOSM-CYBMUJFWSA-N 1 0 348.403 1.174 20 5 EDBDRO C[NH+](C)C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCO1 ZINC000287225589 288185444 /nfs/dbraw/zinc/18/54/44/288185444.db2.gz IXKGUZZYYMAFPH-LLVKDONJSA-N 1 0 333.348 1.010 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261932982 280259648 /nfs/dbraw/zinc/25/96/48/280259648.db2.gz JUXQWYOAKFDCJH-NWDGAFQWSA-N 1 0 327.406 1.651 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000287397278 288228659 /nfs/dbraw/zinc/22/86/59/288228659.db2.gz NVARUQULUFVAJO-CQSZACIVSA-N 1 0 346.387 1.138 20 5 EDBDRO COC(=O)c1cc(NC(=O)N[C@@H](C)C[NH+](C)C)c(C)c([N+](=O)[O-])c1 ZINC000287504373 288252641 /nfs/dbraw/zinc/25/26/41/288252641.db2.gz HJOQCSOXQJBYQL-VIFPVBQESA-N 1 0 338.364 1.761 20 5 EDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000287891249 288348871 /nfs/dbraw/zinc/34/88/71/288348871.db2.gz OOYYYWULAYNBSM-NSHDSACASA-N 1 0 349.416 1.758 20 5 EDBDRO C[NH+](C)C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000288347415 288465150 /nfs/dbraw/zinc/46/51/50/288465150.db2.gz VZZLGCOKHYAONY-OAHLLOKOSA-N 1 0 349.366 1.740 20 5 EDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292225338 289293798 /nfs/dbraw/zinc/29/37/98/289293798.db2.gz VGDHETGXSDMEAM-SUMWQHHRSA-N 1 0 332.404 1.949 20 5 EDBDRO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000170873743 289317219 /nfs/dbraw/zinc/31/72/19/289317219.db2.gz JOEQZMYPEZAVQD-SNVBAGLBSA-N 1 0 333.797 1.573 20 5 EDBDRO COc1ccc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000292576040 289385355 /nfs/dbraw/zinc/38/53/55/289385355.db2.gz JARQNZWZRRFLCE-JTQLQIEISA-N 1 0 331.394 1.079 20 5 EDBDRO O=C(NC[C@@H]1CC[NH2+]C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418543443 304510463 /nfs/dbraw/zinc/51/04/63/304510463.db2.gz OZYXKMPZDGNGSG-CYBMUJFWSA-N 1 0 348.403 1.757 20 5 EDBDRO C[C@@H]1CN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000420278001 304742313 /nfs/dbraw/zinc/74/23/13/304742313.db2.gz NIFJQTHFUDDDBH-ZYHUDNBSSA-N 1 0 329.360 1.343 20 5 EDBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420469766 304762485 /nfs/dbraw/zinc/76/24/85/304762485.db2.gz ZOBCHRFDYSDZTL-CQSZACIVSA-N 1 0 327.406 1.151 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c1C ZINC000420483468 304764096 /nfs/dbraw/zinc/76/40/96/304764096.db2.gz WOQWMCXPPTXVBN-AAEUAGOBSA-N 1 0 341.433 1.817 20 5 EDBDRO CC(C)C[C@H]1C(=O)NCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293710127 303007294 /nfs/dbraw/zinc/00/72/94/303007294.db2.gz XSBIWRIXCAHQES-JKSUJKDBSA-N 1 0 335.404 1.865 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000294032154 303053823 /nfs/dbraw/zinc/05/38/23/303053823.db2.gz RNRZKNRZIGFDCJ-XQQFMLRXSA-N 1 0 348.403 1.264 20 5 EDBDRO C[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1C ZINC000294120486 303065758 /nfs/dbraw/zinc/06/57/58/303065758.db2.gz ZPSWNSSLOOERAO-BETUJISGSA-N 1 0 348.403 1.266 20 5 EDBDRO NC(=O)c1ccnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000357544633 303349589 /nfs/dbraw/zinc/34/95/89/303349589.db2.gz XYKSVWJGGSIREB-GFCCVEGCSA-N 1 0 333.392 1.543 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC(C)(C)[NH+](C)C ZINC000297973139 303478187 /nfs/dbraw/zinc/47/81/87/303478187.db2.gz VODOLFHYAFPWRZ-UHFFFAOYSA-N 1 0 336.392 1.607 20 5 EDBDRO Cc1n[nH]c(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1[N+](=O)[O-] ZINC000299525949 303625226 /nfs/dbraw/zinc/62/52/26/303625226.db2.gz KMPNXXNEKLDCJP-CYBMUJFWSA-N 1 0 331.376 1.529 20 5 EDBDRO Cn1ccnc1[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000299647268 303642497 /nfs/dbraw/zinc/64/24/97/303642497.db2.gz RLEGJMWIUNFXKH-ZDUSSCGKSA-N 1 0 344.293 1.868 20 5 EDBDRO C[C@H]1C[NH+](CCCNc2ccc3ncc([N+](=O)[O-])n3n2)C[C@H](C)O1 ZINC000301848198 303699599 /nfs/dbraw/zinc/69/95/99/303699599.db2.gz VJKPBKXRPQNLMD-RYUDHWBXSA-N 1 0 334.380 1.549 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000428029853 305004326 /nfs/dbraw/zinc/00/43/26/305004326.db2.gz BNHUXUKZGKJLNS-GUTXKFCHSA-N 1 0 332.404 1.914 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428044765 305005408 /nfs/dbraw/zinc/00/54/08/305005408.db2.gz VJDWQYJPKYFBSN-SGMGOOAPSA-N 1 0 348.403 1.614 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428045810 305005521 /nfs/dbraw/zinc/00/55/21/305005521.db2.gz RKEUAQOAQFABRO-TZMCWYRMSA-N 1 0 346.387 1.577 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000429717927 305035778 /nfs/dbraw/zinc/03/57/78/305035778.db2.gz RIHHQVZCYUISCL-TUVASFSCSA-N 1 0 336.392 1.090 20 5 EDBDRO CCOc1ccc(NC(=O)CN[C@](C)(C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000430568424 305056219 /nfs/dbraw/zinc/05/62/19/305056219.db2.gz CEGNOMKTAFNWHH-MRXNPFEDSA-N 1 0 336.392 1.649 20 5 EDBDRO C[NH2+]C1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000430955063 305070606 /nfs/dbraw/zinc/07/06/06/305070606.db2.gz LGVVYRDODZTSEY-LLVKDONJSA-N 1 0 336.392 1.614 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430961359 305071172 /nfs/dbraw/zinc/07/11/72/305071172.db2.gz NRMLUSZWXIKJQB-NTZNESFSSA-N 1 0 336.392 1.600 20 5 EDBDRO COC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000434788446 305130337 /nfs/dbraw/zinc/13/03/37/305130337.db2.gz WOZVOPBHKCBCFW-CABCVRRESA-N 1 0 337.376 1.707 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2noc(CN(C3CC3)[C@H]3CC[NH2+]C3)n2)c1 ZINC000435228637 305137360 /nfs/dbraw/zinc/13/73/60/305137360.db2.gz BOSDZIOTSYGSNS-AWEZNQCLSA-N 1 0 329.360 1.971 20 5 EDBDRO C[C@@H]1[NH2+]CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H]1C ZINC000436050103 305151359 /nfs/dbraw/zinc/15/13/59/305151359.db2.gz MRAGETDLRODFDL-RYUDHWBXSA-N 1 0 334.376 1.575 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1C ZINC000440438081 305206749 /nfs/dbraw/zinc/20/67/49/305206749.db2.gz LQWBNERBASMSEY-CYBMUJFWSA-N 1 0 339.417 1.727 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000440766809 305212426 /nfs/dbraw/zinc/21/24/26/305212426.db2.gz ZDEBZNOGEBSELY-STQMWFEESA-N 1 0 341.433 1.878 20 5 EDBDRO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCNC1=O ZINC000440956334 305214719 /nfs/dbraw/zinc/21/47/19/305214719.db2.gz AZXNFULDHCMXSH-GFCCVEGCSA-N 1 0 348.359 1.103 20 5 EDBDRO COc1ccc(NC(=O)CN2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000443065054 305234329 /nfs/dbraw/zinc/23/43/29/305234329.db2.gz ZIJHZOYJAQZTDW-LBPRGKRZSA-N 1 0 336.392 1.603 20 5 EDBDRO C[C@@H]1[C@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC[N@@H+]1C ZINC000445252986 305258337 /nfs/dbraw/zinc/25/83/37/305258337.db2.gz SOLWLKTXEQFIEW-ZYHUDNBSSA-N 1 0 346.391 1.753 20 5 EDBDRO CC(C)N1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000447577946 305282596 /nfs/dbraw/zinc/28/25/96/305282596.db2.gz CFGGNOFJJZXMLN-HZSPNIEDSA-N 1 0 335.408 1.874 20 5 EDBDRO CCS(=O)(=O)NCCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449108192 305306803 /nfs/dbraw/zinc/30/68/03/305306803.db2.gz QATXWQZRYDBDGF-LBPRGKRZSA-N 1 0 329.422 1.445 20 5 EDBDRO [NH3+]C1CCC(OCC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000449166108 305308583 /nfs/dbraw/zinc/30/85/83/305308583.db2.gz BUPCOPIXKPDYSI-UHFFFAOYSA-N 1 0 333.348 1.696 20 5 EDBDRO COCC(COC)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449548127 305313408 /nfs/dbraw/zinc/31/34/08/305313408.db2.gz ZNMBLTKHZSKMMA-LLVKDONJSA-N 1 0 325.365 1.563 20 5 EDBDRO COc1cc(OCC(=O)N[C@H]2CC[NH2+]CC2(C)C)ccc1[N+](=O)[O-] ZINC000449700271 305317524 /nfs/dbraw/zinc/31/75/24/305317524.db2.gz SVONHITXGBVDRS-AWEZNQCLSA-N 1 0 337.376 1.487 20 5 EDBDRO NS(=O)(=O)CCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546749 305352625 /nfs/dbraw/zinc/35/26/25/305352625.db2.gz JQMITLSPVRSZIJ-CYBMUJFWSA-N 1 0 327.406 1.453 20 5 EDBDRO C[C@H]1C[N@H+](CCO)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000452132390 305384806 /nfs/dbraw/zinc/38/48/06/305384806.db2.gz QNALWPUMNFQTLL-ZDUSSCGKSA-N 1 0 346.387 1.748 20 5 EDBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000452352328 305391866 /nfs/dbraw/zinc/39/18/66/305391866.db2.gz RTYGXYFNAUHTDU-CQSZACIVSA-N 1 0 347.371 1.918 20 5 EDBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000452370856 305394087 /nfs/dbraw/zinc/39/40/87/305394087.db2.gz GSZJSJXTCWPNSR-LBPRGKRZSA-N 1 0 346.387 1.653 20 5 EDBDRO COc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000452395145 305397770 /nfs/dbraw/zinc/39/77/70/305397770.db2.gz WDUHBDFPKTYRQS-ZDUSSCGKSA-N 1 0 337.376 1.180 20 5 EDBDRO CCc1ccc(C(=O)NC[C@H](C)N2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000471951403 305541692 /nfs/dbraw/zinc/54/16/92/305541692.db2.gz DOSIUJFDXPIFOC-AWEZNQCLSA-N 1 0 348.447 1.913 20 5 EDBDRO C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Sc1ccccc1 ZINC000517024904 305746313 /nfs/dbraw/zinc/74/63/13/305746313.db2.gz FKCUZZKLJWLTGS-GXTWGEPZSA-N 1 0 336.417 1.923 20 5 EDBDRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H](C)C2)s1 ZINC000377793464 447359541 /nfs/dbraw/zinc/35/95/41/447359541.db2.gz SHFAUIDSIMCZMC-WBMYTEFPSA-N 1 0 338.433 1.443 20 5 EDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@H]1C ZINC000535747805 306016449 /nfs/dbraw/zinc/01/64/49/306016449.db2.gz PHHWQJYGVHDOAA-NEPJUHHUSA-N 1 0 349.387 1.921 20 5 EDBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1C ZINC000535751782 306016551 /nfs/dbraw/zinc/01/65/51/306016551.db2.gz VCXYFTSTVXFYBO-QWRGUYRKSA-N 1 0 335.360 1.878 20 5 EDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCOCC[NH+](C)C)c1 ZINC000540849892 306040822 /nfs/dbraw/zinc/04/08/22/306040822.db2.gz WPTQLAXRYHYBBB-UHFFFAOYSA-N 1 0 327.406 1.625 20 5 EDBDRO NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000542234828 306052215 /nfs/dbraw/zinc/05/22/15/306052215.db2.gz LIQYXXHVJCDUCA-INIZCTEOSA-N 1 0 347.346 1.799 20 5 EDBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000549772444 306148757 /nfs/dbraw/zinc/14/87/57/306148757.db2.gz DUPHXYZEYSMMPP-OKILXGFUSA-N 1 0 341.371 1.522 20 5 EDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000554013341 306188751 /nfs/dbraw/zinc/18/87/51/306188751.db2.gz UCKBQKXADZAJNT-HIFRSBDPSA-N 1 0 340.401 1.421 20 5 EDBDRO C[C@@H](C(=O)NCCCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000555721026 306205398 /nfs/dbraw/zinc/20/53/98/306205398.db2.gz AEKGLMJDRGPKIW-CQSZACIVSA-N 1 0 335.404 1.927 20 5 EDBDRO CC[NH+]1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000555737626 306205776 /nfs/dbraw/zinc/20/57/76/306205776.db2.gz YVUCIHJUJXVODJ-UHFFFAOYSA-N 1 0 341.433 1.913 20 5 EDBDRO COCC[NH2+]CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414955385 447371856 /nfs/dbraw/zinc/37/18/56/447371856.db2.gz UFOLSIXJFLNKAJ-UHFFFAOYSA-N 1 0 348.306 1.554 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)cc1[N+](=O)[O-] ZINC000425987985 447373181 /nfs/dbraw/zinc/37/31/81/447373181.db2.gz DGFZPPAFZQYXJM-YPMHNXCESA-N 1 0 338.360 1.349 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)C1CC1 ZINC000102184099 441165981 /nfs/dbraw/zinc/16/59/81/441165981.db2.gz UJIMGDLRANBUEQ-UHFFFAOYSA-N 1 0 341.433 1.974 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000103998504 441187098 /nfs/dbraw/zinc/18/70/98/441187098.db2.gz GKQOJUYPMDNYCY-ZDUSSCGKSA-N 1 0 336.392 1.234 20 5 EDBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000104070311 441187720 /nfs/dbraw/zinc/18/77/20/441187720.db2.gz BPSDZTWJENABAR-ZDUSSCGKSA-N 1 0 338.433 1.570 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000047434083 441188392 /nfs/dbraw/zinc/18/83/92/441188392.db2.gz KSNJKJUNRHWZRC-RYUDHWBXSA-N 1 0 336.392 1.527 20 5 EDBDRO COC(=O)c1cc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000047142741 441159183 /nfs/dbraw/zinc/15/91/83/441159183.db2.gz PZJZWZHGZXGFJQ-LBPRGKRZSA-N 1 0 349.387 1.986 20 5 EDBDRO CCOC[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000081523029 441281156 /nfs/dbraw/zinc/28/11/56/441281156.db2.gz TVBWYKXUQACNRD-CYBMUJFWSA-N 1 0 333.388 1.842 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000106366143 441334987 /nfs/dbraw/zinc/33/49/87/441334987.db2.gz UPBHZJAEVCPUCE-SNVBAGLBSA-N 1 0 347.824 1.916 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)CN1CC[NH+](C)CC1 ZINC000106483136 441346564 /nfs/dbraw/zinc/34/65/64/441346564.db2.gz WXCQZYWNYNXGPK-GFCCVEGCSA-N 1 0 335.408 1.002 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000108406607 441451991 /nfs/dbraw/zinc/45/19/91/441451991.db2.gz IDFPLMCIGDOMIG-GFCCVEGCSA-N 1 0 327.406 1.523 20 5 EDBDRO C[NH+]1CCN(c2ncccc2CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000066344824 441521589 /nfs/dbraw/zinc/52/15/89/441521589.db2.gz IHAWGSVGOLIUHZ-UHFFFAOYSA-N 1 0 345.359 1.265 20 5 EDBDRO CCOc1cc(C(=O)NCCC[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000053274700 441509153 /nfs/dbraw/zinc/50/91/53/441509153.db2.gz GKEUWNJVVCGSHV-UHFFFAOYSA-N 1 0 325.365 1.684 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000075718545 441551826 /nfs/dbraw/zinc/55/18/26/441551826.db2.gz CMTIGEVTALJAEK-OCCSQVGLSA-N 1 0 334.351 1.781 20 5 EDBDRO [NH3+]CCCNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000040808736 441630574 /nfs/dbraw/zinc/63/05/74/441630574.db2.gz RQZZDLDHYACQTG-UHFFFAOYSA-N 1 0 349.128 1.278 20 5 EDBDRO COCCCOC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090550472 441633808 /nfs/dbraw/zinc/63/38/08/441633808.db2.gz DSLZHPAOMOGWPD-UHFFFAOYSA-N 1 0 339.392 1.274 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NCCCC[NH+]1CCN(CCO)CC1 ZINC000114450873 441657569 /nfs/dbraw/zinc/65/75/69/441657569.db2.gz FDHWWTVEJDPPFJ-UHFFFAOYSA-N 1 0 336.436 1.705 20 5 EDBDRO COc1ccc(CC(=O)NCCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000067923205 441697687 /nfs/dbraw/zinc/69/76/87/441697687.db2.gz TUHLOMJLJDMXAU-UHFFFAOYSA-N 1 0 335.404 1.994 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000173718367 441828369 /nfs/dbraw/zinc/82/83/69/441828369.db2.gz WRHPTYOLYQPFAL-CQSZACIVSA-N 1 0 334.420 1.517 20 5 EDBDRO C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000122055462 441832523 /nfs/dbraw/zinc/83/25/23/441832523.db2.gz QWZIUGHKFYTSFL-CQSZACIVSA-N 1 0 334.420 1.137 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](CO)C1 ZINC000122202937 441839505 /nfs/dbraw/zinc/83/95/05/441839505.db2.gz ARRGNEDXUFYTFE-LBPRGKRZSA-N 1 0 337.376 1.636 20 5 EDBDRO Cc1c(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000122422431 441849484 /nfs/dbraw/zinc/84/94/84/441849484.db2.gz PPNMSTDLDIYYMW-GFCCVEGCSA-N 1 0 348.403 1.690 20 5 EDBDRO CC[C@H](C)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000078247334 441909465 /nfs/dbraw/zinc/90/94/65/441909465.db2.gz ZLOVMHPGHXWZRU-NSHDSACASA-N 1 0 344.437 1.645 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000118097551 441887326 /nfs/dbraw/zinc/88/73/26/441887326.db2.gz XUAGFILWHGOKGS-ZDUSSCGKSA-N 1 0 334.376 1.442 20 5 EDBDRO C[C@@H]1CCCN(C(=O)C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000174820362 441972256 /nfs/dbraw/zinc/97/22/56/441972256.db2.gz NFUAZAKJKNTQGS-CQSZACIVSA-N 1 0 349.435 1.762 20 5 EDBDRO C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[NH+]1CCCC1 ZINC000078484620 441934868 /nfs/dbraw/zinc/93/48/68/441934868.db2.gz GPLQMVNQEYXWOU-NSHDSACASA-N 1 0 335.360 1.580 20 5 EDBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000078575741 441945463 /nfs/dbraw/zinc/94/54/63/441945463.db2.gz AGLJXOKSUXBTAB-GFCCVEGCSA-N 1 0 342.421 1.163 20 5 EDBDRO COc1cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000150812741 441955401 /nfs/dbraw/zinc/95/54/01/441955401.db2.gz RVQIAYAXCAHZLA-LLVKDONJSA-N 1 0 343.405 1.318 20 5 EDBDRO Cc1nc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)ncc1[N+](=O)[O-] ZINC000450292687 447444392 /nfs/dbraw/zinc/44/43/92/447444392.db2.gz IJEZAFZQRAMIAX-OKILXGFUSA-N 1 0 348.451 1.688 20 5 EDBDRO C[NH+](C)C1CCN(CCNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000175688344 442106453 /nfs/dbraw/zinc/10/64/53/442106453.db2.gz GVKWBVNYVWUOGS-UHFFFAOYSA-N 1 0 349.435 1.420 20 5 EDBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000165281975 442208526 /nfs/dbraw/zinc/20/85/26/442208526.db2.gz XIRRPZXDXPJUKD-UHFFFAOYSA-N 1 0 343.449 1.739 20 5 EDBDRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000165537453 442210044 /nfs/dbraw/zinc/21/00/44/442210044.db2.gz GTNIIDYIIXAAIY-INIZCTEOSA-N 1 0 348.403 1.012 20 5 EDBDRO CCc1n[nH]c(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000171398514 442345682 /nfs/dbraw/zinc/34/56/82/442345682.db2.gz DWVNBABPRPLUHW-PHIMTYICSA-N 1 0 339.396 1.109 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000129215388 442306496 /nfs/dbraw/zinc/30/64/96/442306496.db2.gz FWKQLGRETRNOMF-HNNXBMFYSA-N 1 0 343.387 1.745 20 5 EDBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000171505275 442353533 /nfs/dbraw/zinc/35/35/33/442353533.db2.gz VGKBHRLCDVXKKX-CYBMUJFWSA-N 1 0 327.406 1.666 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC([C@H](C)[NH3+])CC2)c1C ZINC000171628734 442364522 /nfs/dbraw/zinc/36/45/22/442364522.db2.gz PTAKWKXUEBCZCI-LBPRGKRZSA-N 1 0 341.433 1.960 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000171708867 442372917 /nfs/dbraw/zinc/37/29/17/442372917.db2.gz JWSRMOPIEDDIGW-ZDUSSCGKSA-N 1 0 335.408 1.030 20 5 EDBDRO Cc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000178120133 442408956 /nfs/dbraw/zinc/40/89/56/442408956.db2.gz LOMVOVNRALBQBC-AWEZNQCLSA-N 1 0 333.388 1.698 20 5 EDBDRO C[NH+](C)CCN1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134517136 442489846 /nfs/dbraw/zinc/48/98/46/442489846.db2.gz MXUBPIIYTXBLGZ-UHFFFAOYSA-N 1 0 340.811 1.568 20 5 EDBDRO COc1cc(OCC(=O)N2CCC([C@H](C)[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000178823748 442495646 /nfs/dbraw/zinc/49/56/46/442495646.db2.gz CSJUCNVRTBCHHV-NSHDSACASA-N 1 0 337.376 1.568 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000191762752 442507238 /nfs/dbraw/zinc/50/72/38/442507238.db2.gz LGVQCMVPHGEIJP-RYUDHWBXSA-N 1 0 339.396 1.040 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000186199733 442484187 /nfs/dbraw/zinc/48/41/87/442484187.db2.gz LTFRIEUECDAEJF-CYBMUJFWSA-N 1 0 327.406 1.499 20 5 EDBDRO Cn1cc(CN2CCCN(C)C(=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000191663502 442485447 /nfs/dbraw/zinc/48/54/47/442485447.db2.gz OBQPPKBBCFIXES-UHFFFAOYSA-N 1 0 343.387 1.659 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000173022167 442588314 /nfs/dbraw/zinc/58/83/14/442588314.db2.gz JFSKNJAJNADRLT-SECBINFHSA-N 1 0 331.419 1.419 20 5 EDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000186706787 442595609 /nfs/dbraw/zinc/59/56/09/442595609.db2.gz MYZMOVBXGVQWRU-UHFFFAOYSA-N 1 0 343.387 1.947 20 5 EDBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CC[NH2+]C1 ZINC000179075258 442566262 /nfs/dbraw/zinc/56/62/62/442566262.db2.gz FRTGIDPKUCOMEJ-NSHDSACASA-N 1 0 342.193 1.720 20 5 EDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)C[C@H]2C1 ZINC000192507208 442654955 /nfs/dbraw/zinc/65/49/55/442654955.db2.gz VTZWFFITSJMBFS-BETUJISGSA-N 1 0 341.371 1.414 20 5 EDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000192690116 442676815 /nfs/dbraw/zinc/67/68/15/442676815.db2.gz PIUAIANHTODPFZ-GFCCVEGCSA-N 1 0 339.392 1.690 20 5 EDBDRO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H]1CCCC[C@@H]1O ZINC000181471760 442699085 /nfs/dbraw/zinc/69/90/85/442699085.db2.gz POJCIBAKKJTQHG-YOEHRIQHSA-N 1 0 347.415 1.967 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](Cc2ccccc2)C2CC2)c1 ZINC000181556617 442703553 /nfs/dbraw/zinc/70/35/53/442703553.db2.gz GAYQYVPUXKIBBH-IAGOWNOFSA-N 1 0 330.388 1.763 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000181889665 442720393 /nfs/dbraw/zinc/72/03/93/442720393.db2.gz ORRUGTYGZCBKPL-IAPGTGOOSA-N 1 0 336.388 1.427 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000193208678 442722436 /nfs/dbraw/zinc/72/24/36/442722436.db2.gz HOVGINAVQXGQMZ-NSHDSACASA-N 1 0 343.405 1.366 20 5 EDBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000193305595 442731487 /nfs/dbraw/zinc/73/14/87/442731487.db2.gz UOXKWZRGYZZGHM-VIFPVBQESA-N 1 0 349.384 1.538 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000188461598 442752678 /nfs/dbraw/zinc/75/26/78/442752678.db2.gz MPGJAQPGFFLYSU-ZDUSSCGKSA-N 1 0 336.392 1.144 20 5 EDBDRO Cc1ccc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000188681408 442786705 /nfs/dbraw/zinc/78/67/05/442786705.db2.gz ZRTAWWAJHNEOQL-CYBMUJFWSA-N 1 0 335.404 1.820 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000193827958 442794427 /nfs/dbraw/zinc/79/44/27/442794427.db2.gz SGUMZJTZQSKQFH-AWEZNQCLSA-N 1 0 332.404 1.921 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188732652 442799081 /nfs/dbraw/zinc/79/90/81/442799081.db2.gz CJVWEPVTWDSLKF-CYBMUJFWSA-N 1 0 335.404 1.820 20 5 EDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000193633404 442761962 /nfs/dbraw/zinc/76/19/62/442761962.db2.gz HPGJYTWIVRZBDT-PWSUYJOCSA-N 1 0 330.348 1.046 20 5 EDBDRO COc1cccc2c1CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000193711367 442771351 /nfs/dbraw/zinc/77/13/51/442771351.db2.gz AQQVDQRUSRWWKZ-OAHLLOKOSA-N 1 0 346.387 1.262 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[N@@H+]1C1CC1 ZINC000268040696 442827192 /nfs/dbraw/zinc/82/71/92/442827192.db2.gz XYIVZYCXSAIJHW-MNOVXSKESA-N 1 0 337.351 1.854 20 5 EDBDRO COc1cc(C[NH2+]C[C@@](C)(O)CSC)c([N+](=O)[O-])cc1OC ZINC000265684365 442878921 /nfs/dbraw/zinc/87/89/21/442878921.db2.gz KHTAAIJVERMTFJ-CQSZACIVSA-N 1 0 330.406 1.816 20 5 EDBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000194492396 442906719 /nfs/dbraw/zinc/90/67/19/442906719.db2.gz AGGNRMQXVPJWSS-AWEZNQCLSA-N 1 0 331.376 1.080 20 5 EDBDRO Cn1cc(Cl)cc1C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000268235096 442911078 /nfs/dbraw/zinc/91/10/78/442911078.db2.gz ZKNJANCWSSSMMB-ZDUSSCGKSA-N 1 0 327.772 1.276 20 5 EDBDRO CCc1n[nH]c(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000265827787 442936911 /nfs/dbraw/zinc/93/69/11/442936911.db2.gz TYYABLXULOYZPW-LBPRGKRZSA-N 1 0 335.408 1.971 20 5 EDBDRO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH+](C)C ZINC000268309342 442941716 /nfs/dbraw/zinc/94/17/16/442941716.db2.gz YXONXMTXAKRPFJ-JOYOIKCWSA-N 1 0 331.369 1.305 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189791097 443011718 /nfs/dbraw/zinc/01/17/18/443011718.db2.gz OMTSTVJPWFTKKF-UHFFFAOYSA-N 1 0 346.387 1.457 20 5 EDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)[N@H+](C)Cc1ccccc1 ZINC000184458106 443023686 /nfs/dbraw/zinc/02/36/86/443023686.db2.gz LOLSRAAOPGHMRP-LBPRGKRZSA-N 1 0 343.387 1.822 20 5 EDBDRO CN(C(=O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000296265847 318679074 /nfs/dbraw/zinc/67/90/74/318679074.db2.gz OHNLDDXLCUHMEK-BMFZPTHFSA-N 1 0 333.388 1.961 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000266216908 443061641 /nfs/dbraw/zinc/06/16/41/443061641.db2.gz KXBGKKPHIVGZTP-NEPJUHHUSA-N 1 0 346.387 1.603 20 5 EDBDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000268864236 443130014 /nfs/dbraw/zinc/13/00/14/443130014.db2.gz WDRTUWCGBDBTSV-AWEZNQCLSA-N 1 0 327.406 1.651 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000261725324 443166757 /nfs/dbraw/zinc/16/67/57/443166757.db2.gz MGVNKYMGOGFNQI-OLZOCXBDSA-N 1 0 339.417 1.727 20 5 EDBDRO C[C@@H]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1C[NH3+] ZINC000237449421 443171965 /nfs/dbraw/zinc/17/19/65/443171965.db2.gz DERYUDOKYYCRSA-MLGOLLRUSA-N 1 0 343.387 1.980 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000261867537 443172671 /nfs/dbraw/zinc/17/26/71/443172671.db2.gz XOSRLPQZSZMZRR-OUCADQQQSA-N 1 0 333.392 1.520 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000261952366 443175386 /nfs/dbraw/zinc/17/53/86/443175386.db2.gz NJJYUYWEGMXGOW-WCQYABFASA-N 1 0 327.406 1.794 20 5 EDBDRO [NH3+]CCNC(=O)[C@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000262171655 443184856 /nfs/dbraw/zinc/18/48/56/443184856.db2.gz HVFOCIKHDVEADG-LBPRGKRZSA-N 1 0 343.387 1.434 20 5 EDBDRO [NH3+]C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000237935524 443189223 /nfs/dbraw/zinc/18/92/23/443189223.db2.gz DMXVOQYNTPCQTB-JTQLQIEISA-N 1 0 333.435 1.842 20 5 EDBDRO NC(=O)NC(=O)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266521115 443154736 /nfs/dbraw/zinc/15/47/36/443154736.db2.gz CPTDWGFEKRSSGL-UHFFFAOYSA-N 1 0 336.348 1.023 20 5 EDBDRO C[C@@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@H](C[NH3+])C1 ZINC000261632348 443161912 /nfs/dbraw/zinc/16/19/12/443161912.db2.gz ABSUMBPOMRDMEZ-RISCZKNCSA-N 1 0 344.375 1.375 20 5 EDBDRO COc1cc(C(=O)N2CCC(CC[NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000324678750 318943958 /nfs/dbraw/zinc/94/39/58/318943958.db2.gz NDORHFXOOXIPFM-UHFFFAOYSA-N 1 0 337.376 1.813 20 5 EDBDRO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1(CO)CCOCC1 ZINC000191034229 443229121 /nfs/dbraw/zinc/22/91/21/443229121.db2.gz PYNPKJXIYHQDAD-UHFFFAOYSA-N 1 0 348.359 1.618 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+](C[C@H](C)O)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000190890947 443204912 /nfs/dbraw/zinc/20/49/12/443204912.db2.gz LLCDEGCLNBCBHA-RYUDHWBXSA-N 1 0 339.392 1.295 20 5 EDBDRO COC(=O)[C@H]1[C@H]2CCC[C@@H]2CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000191176679 443253029 /nfs/dbraw/zinc/25/30/29/443253029.db2.gz BKHVDNZWIZDJEA-OSAQELSMSA-N 1 0 335.360 1.030 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCSC3(CCC3)CC2)c1 ZINC000411871381 319210780 /nfs/dbraw/zinc/21/07/80/319210780.db2.gz RJVWTDXVHCPWFV-CYBMUJFWSA-N 1 0 326.422 1.514 20 5 EDBDRO CC[N@@H+]1CC[C@@H](NC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC000412867533 319245064 /nfs/dbraw/zinc/24/50/64/319245064.db2.gz ATHAXUYEVAFRDY-SNVBAGLBSA-N 1 0 325.340 1.495 20 5 EDBDRO CC[N@@H+]1CC[C@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000413856057 319294183 /nfs/dbraw/zinc/29/41/83/319294183.db2.gz KHBZERVCAYZXPD-LBPRGKRZSA-N 1 0 336.396 1.232 20 5 EDBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)n1 ZINC000414647455 319335977 /nfs/dbraw/zinc/33/59/77/319335977.db2.gz QXVBITWKWZZDIE-JTQLQIEISA-N 1 0 328.332 1.981 20 5 EDBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185862604 443271333 /nfs/dbraw/zinc/27/13/33/443271333.db2.gz VRMRHTPZFYVWKK-CYBMUJFWSA-N 1 0 327.406 1.700 20 5 EDBDRO COC[C@@H](C)OC[C@@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000278465670 443340047 /nfs/dbraw/zinc/34/00/47/443340047.db2.gz ZKNSYJJFXNKWJB-DYVFJYSZSA-N 1 0 338.404 1.972 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272592435 443376199 /nfs/dbraw/zinc/37/61/99/443376199.db2.gz NYIXZIASTXBREJ-GOEBONIOSA-N 1 0 332.404 1.873 20 5 EDBDRO C[NH+](C)[C@@]1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCSC1 ZINC000267129188 443351813 /nfs/dbraw/zinc/35/18/13/443351813.db2.gz REQXSRDITSZABG-CQSZACIVSA-N 1 0 342.396 1.483 20 5 EDBDRO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H]1CCC[C@@H]1O ZINC000270077351 443459246 /nfs/dbraw/zinc/45/92/46/443459246.db2.gz ITSXJGIWNYDILX-CJNGLKHVSA-N 1 0 333.388 1.577 20 5 EDBDRO COc1cc(C(=O)NC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC(F)F ZINC000272975182 443507838 /nfs/dbraw/zinc/50/78/38/443507838.db2.gz CDXIPSYYUWIXHX-QMMMGPOBSA-N 1 0 345.302 1.544 20 5 EDBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000265011305 443508146 /nfs/dbraw/zinc/50/81/46/443508146.db2.gz UTADULWBQBGBFU-AWEZNQCLSA-N 1 0 337.424 1.871 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000423585253 319788021 /nfs/dbraw/zinc/78/80/21/319788021.db2.gz ASEAXUTUFICPHS-YGRLFVJLSA-N 1 0 335.360 1.499 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000267686836 443541077 /nfs/dbraw/zinc/54/10/77/443541077.db2.gz QLRPDOYHXVNYPU-DGCLKSJQSA-N 1 0 341.433 1.775 20 5 EDBDRO C[N@H+]1CC=C(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000272256114 443570412 /nfs/dbraw/zinc/57/04/12/443570412.db2.gz PQLXTVQIWNHZDD-UHFFFAOYSA-N 1 0 329.353 1.274 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000279319988 443555312 /nfs/dbraw/zinc/55/53/12/443555312.db2.gz FZZALOVRGCXHOK-KRWDZBQOSA-N 1 0 347.415 1.897 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1[NH3+] ZINC000429130030 319920863 /nfs/dbraw/zinc/92/08/63/319920863.db2.gz BRUVIDYXWSEAGA-SMDDNHRTSA-N 1 0 329.360 1.590 20 5 EDBDRO C[NH+](C)C[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCO1 ZINC000265351712 443613287 /nfs/dbraw/zinc/61/32/87/443613287.db2.gz KCYNNBFLJLXUGW-GFCCVEGCSA-N 1 0 332.360 1.479 20 5 EDBDRO CCN(CCC[NH+](C)C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000276146083 443654342 /nfs/dbraw/zinc/65/43/42/443654342.db2.gz BZBURONZPKNSLR-UHFFFAOYSA-N 1 0 339.392 1.782 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000439345560 320045302 /nfs/dbraw/zinc/04/53/02/320045302.db2.gz FVQWRBBAOZBMKK-LBPRGKRZSA-N 1 0 348.403 1.703 20 5 EDBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000440073350 320061437 /nfs/dbraw/zinc/06/14/37/320061437.db2.gz DTDJVOVSCDWELP-NSHDSACASA-N 1 0 345.421 1.612 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000440349136 320072930 /nfs/dbraw/zinc/07/29/30/320072930.db2.gz MLEOKNUDTAPIOM-RYUDHWBXSA-N 1 0 327.406 1.570 20 5 EDBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000444261568 320123150 /nfs/dbraw/zinc/12/31/50/320123150.db2.gz GBNQVDQKBRQXTE-CYBMUJFWSA-N 1 0 329.360 1.652 20 5 EDBDRO CCCc1n[nH]c(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000449199007 320178061 /nfs/dbraw/zinc/17/80/61/320178061.db2.gz DYBSQVCVUMDDOM-NWDGAFQWSA-N 1 0 335.408 1.732 20 5 EDBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@H+](C)Cc1ccccc1 ZINC000286213515 443669560 /nfs/dbraw/zinc/66/95/60/443669560.db2.gz RXRXGQOHWNNCRS-GFCCVEGCSA-N 1 0 331.376 1.958 20 5 EDBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1(CO)CCCC1 ZINC000459518956 320348323 /nfs/dbraw/zinc/34/83/23/320348323.db2.gz BMULNHKJGKXRBX-HUUCEWRRSA-N 1 0 340.424 1.319 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C[NH+](C)C ZINC000490039021 320362504 /nfs/dbraw/zinc/36/25/04/320362504.db2.gz BWLBCMXQPVWINQ-VIFPVBQESA-N 1 0 335.813 1.724 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491521121 320371046 /nfs/dbraw/zinc/37/10/46/320371046.db2.gz RRHNFKHWKAIFAS-ALCCZGGFSA-N 1 0 339.367 1.784 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493160845 320393670 /nfs/dbraw/zinc/39/36/70/320393670.db2.gz QWUQAUUEGYDYEC-CMDGGOBGSA-N 1 0 334.420 1.608 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccccc2CO)c1 ZINC000516571058 320438757 /nfs/dbraw/zinc/43/87/57/320438757.db2.gz LZWDDJXBTFIINO-MRXNPFEDSA-N 1 0 332.356 1.617 20 5 EDBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000290917320 443710251 /nfs/dbraw/zinc/71/02/51/443710251.db2.gz XDWKFBDCLKDCND-LLVKDONJSA-N 1 0 344.437 1.775 20 5 EDBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000291047405 443740092 /nfs/dbraw/zinc/74/00/92/443740092.db2.gz DFWFFGBLIOHQEL-LLVKDONJSA-N 1 0 344.437 1.775 20 5 EDBDRO CCC[N@H+](C)C[C@H]1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000281120871 443825518 /nfs/dbraw/zinc/82/55/18/443825518.db2.gz HLUYKMVKPOUJEQ-GFCCVEGCSA-N 1 0 336.392 1.945 20 5 EDBDRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000284970461 443802884 /nfs/dbraw/zinc/80/28/84/443802884.db2.gz CWPKCGALEUUEME-UHFFFAOYSA-N 1 0 343.387 1.960 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000531153238 320650134 /nfs/dbraw/zinc/65/01/34/320650134.db2.gz OMQYQSWUAQKVQD-GHMZBOCLSA-N 1 0 342.421 1.527 20 5 EDBDRO O=c1c([N+](=O)[O-])cccn1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285103639 443857648 /nfs/dbraw/zinc/85/76/48/443857648.db2.gz JKPRPLISJRAHJY-UHFFFAOYSA-N 1 0 342.399 1.969 20 5 EDBDRO O=C(CCN1CC[NH+](CC2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000298776193 443865702 /nfs/dbraw/zinc/86/57/02/443865702.db2.gz CQNCSHQBFLIMGF-UHFFFAOYSA-N 1 0 332.404 1.951 20 5 EDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000537718343 320737855 /nfs/dbraw/zinc/73/78/55/320737855.db2.gz JQLGKYUDHRFONV-NSHDSACASA-N 1 0 327.356 1.557 20 5 EDBDRO CCCC[N@H+](C)CC1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000299060528 443942834 /nfs/dbraw/zinc/94/28/34/443942834.db2.gz IYIBMXXFWZEOJQ-UHFFFAOYSA-N 1 0 337.424 1.762 20 5 EDBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293123547 443930889 /nfs/dbraw/zinc/93/08/89/443930889.db2.gz ZIWBICHHPVOPHG-AWEZNQCLSA-N 1 0 347.375 1.395 20 5 EDBDRO Cc1c(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)cccc1[N+](=O)[O-] ZINC000293123758 443930972 /nfs/dbraw/zinc/93/09/72/443930972.db2.gz ZJXLIEPQOAXPKR-OAHLLOKOSA-N 1 0 331.376 1.824 20 5 EDBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277314556 443961431 /nfs/dbraw/zinc/96/14/31/443961431.db2.gz DAMIBKJPKAQFLZ-CYBMUJFWSA-N 1 0 336.396 1.107 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000281660391 443972363 /nfs/dbraw/zinc/97/23/63/443972363.db2.gz SJPYAXZHEDZFLS-MRXNPFEDSA-N 1 0 339.392 1.101 20 5 EDBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)CO ZINC000293336449 443987479 /nfs/dbraw/zinc/98/74/79/443987479.db2.gz GVYKWEKOSXYJMH-NSHDSACASA-N 1 0 325.365 1.635 20 5 EDBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)N1CCCCCC1 ZINC000285453807 443989880 /nfs/dbraw/zinc/98/98/80/443989880.db2.gz AEDJOLZWFMVFHG-UHFFFAOYSA-N 1 0 337.424 1.904 20 5 EDBDRO COCCOCCN(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000289083290 444049560 /nfs/dbraw/zinc/04/95/60/444049560.db2.gz TTWILYOXKSIRAA-UHFFFAOYSA-N 1 0 326.349 1.556 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+](CC)CCO ZINC000281996721 444058769 /nfs/dbraw/zinc/05/87/69/444058769.db2.gz PYIWDUSGFVPPSE-UHFFFAOYSA-N 1 0 340.380 1.429 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000564018957 321118928 /nfs/dbraw/zinc/11/89/28/321118928.db2.gz XAVQWKZAKOKZBN-GFCCVEGCSA-N 1 0 349.387 1.922 20 5 EDBDRO CCc1ccc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000564909041 321156010 /nfs/dbraw/zinc/15/60/10/321156010.db2.gz ZJVLTKKZYCVKLC-CYBMUJFWSA-N 1 0 341.433 1.872 20 5 EDBDRO CC(C)(C)C[C@@H](CO)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564974330 321162287 /nfs/dbraw/zinc/16/22/87/321162287.db2.gz GODJFKWQLLSHDF-QWHCGFSZSA-N 1 0 326.393 1.721 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000565540014 321190191 /nfs/dbraw/zinc/19/01/91/321190191.db2.gz YOKHDTWLGUHTMU-AWEZNQCLSA-N 1 0 341.433 1.953 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000565540282 321190547 /nfs/dbraw/zinc/19/05/47/321190547.db2.gz OLLWIDNYOYQDIN-RYUDHWBXSA-N 1 0 327.406 1.038 20 5 EDBDRO C[C@H](Cc1ccncc1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566112701 321216742 /nfs/dbraw/zinc/21/67/42/321216742.db2.gz QRFWNYBZOAPPEJ-UKRRQHHQSA-N 1 0 331.372 1.950 20 5 EDBDRO CN1CCC[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000566117031 321217540 /nfs/dbraw/zinc/21/75/40/321217540.db2.gz OOZLSAYNDXBQFO-CYBMUJFWSA-N 1 0 327.406 1.052 20 5 EDBDRO CC(C)[C@@H]1C[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000567697268 321253661 /nfs/dbraw/zinc/25/36/61/321253661.db2.gz TWOTVVDXBCQJLH-SNPRPXQTSA-N 1 0 326.397 1.193 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)Cc2ccccc2)c1 ZINC000567872809 321263710 /nfs/dbraw/zinc/26/37/10/321263710.db2.gz HQRVFDCUFLGFSO-DLBZAZTESA-N 1 0 346.383 1.528 20 5 EDBDRO C[C@@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000301840225 444193486 /nfs/dbraw/zinc/19/34/86/444193486.db2.gz XXFPXCZORGHMEI-JTQLQIEISA-N 1 0 331.319 1.699 20 5 EDBDRO Cc1cnc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000301967509 444198455 /nfs/dbraw/zinc/19/84/55/444198455.db2.gz OUKNETBFLQUPPX-CYBMUJFWSA-N 1 0 333.392 1.217 20 5 EDBDRO Cc1nn(CCC(=O)N2CC3CCC2(C[NH3+])CC3)c(C)c1[N+](=O)[O-] ZINC000576833569 321600418 /nfs/dbraw/zinc/60/04/18/321600418.db2.gz YDDKLAWMFLSIEA-UHFFFAOYSA-N 1 0 335.408 1.528 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000304288504 444245269 /nfs/dbraw/zinc/24/52/69/444245269.db2.gz BLXNGBJTMUJFFS-GOEBONIOSA-N 1 0 337.424 1.103 20 5 EDBDRO COCCC[NH+]1CCC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290636299 444304163 /nfs/dbraw/zinc/30/41/63/444304163.db2.gz NCVGOJVBHKVAPV-UHFFFAOYSA-N 1 0 337.380 1.002 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000317267902 444315105 /nfs/dbraw/zinc/31/51/05/444315105.db2.gz RDYMJEHFPOCZCZ-MWLCHTKSSA-N 1 0 347.824 1.996 20 5 EDBDRO NC(=O)c1ccnc(N2CC[C@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000290763864 444320555 /nfs/dbraw/zinc/32/05/55/444320555.db2.gz KKYGYFIRNSWLQV-GFCCVEGCSA-N 1 0 333.392 1.401 20 5 EDBDRO COc1cccc(F)c1[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305776369 444279927 /nfs/dbraw/zinc/27/99/27/444279927.db2.gz OKPMKXCIBQUGON-JQWIXIFHSA-N 1 0 338.339 1.651 20 5 EDBDRO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330997600 444352345 /nfs/dbraw/zinc/35/23/45/444352345.db2.gz VEOMLXSEXPUJDR-MNOVXSKESA-N 1 0 336.314 1.815 20 5 EDBDRO O=C(C[C@@H]1CCC[NH2+]C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000324924242 444359562 /nfs/dbraw/zinc/35/95/62/444359562.db2.gz SMFXLQWEDHCRRA-AWEZNQCLSA-N 1 0 332.404 1.633 20 5 EDBDRO CNc1ccc(C(=O)N2CCC(OCCC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000578767146 321828704 /nfs/dbraw/zinc/82/87/04/321828704.db2.gz GQAVLVPISRFDIN-UHFFFAOYSA-N 1 0 336.392 1.607 20 5 EDBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000331195537 444439461 /nfs/dbraw/zinc/43/94/61/444439461.db2.gz SBDHNPOCQLEFCJ-QWHCGFSZSA-N 1 0 327.406 1.545 20 5 EDBDRO CC[NH2+]CCCNC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000580174396 322018358 /nfs/dbraw/zinc/01/83/58/322018358.db2.gz NGUBOEKQHXPCKH-UHFFFAOYSA-N 1 0 348.403 1.202 20 5 EDBDRO Cc1ccnc([C@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000580580836 322070963 /nfs/dbraw/zinc/07/09/63/322070963.db2.gz IYVSVZUQVDPQKW-DZGCQCFKSA-N 1 0 331.376 1.345 20 5 EDBDRO CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000580582804 322071389 /nfs/dbraw/zinc/07/13/89/322071389.db2.gz VQBPCPUIAIHNQW-UHFFFAOYSA-N 1 0 326.372 1.568 20 5 EDBDRO Cc1cc(C)c(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000580752903 322090410 /nfs/dbraw/zinc/09/04/10/322090410.db2.gz HDWCTONGXBTHRU-MRXNPFEDSA-N 1 0 332.404 1.910 20 5 EDBDRO C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCc2ccccc21 ZINC000581050213 322128212 /nfs/dbraw/zinc/12/82/12/322128212.db2.gz FTIYZWQMOQOQBG-XJKSGUPXSA-N 1 0 345.403 1.193 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCC[NH2+]C(C)C ZINC000581069096 322132056 /nfs/dbraw/zinc/13/20/56/322132056.db2.gz AFMCQKYEWDPGSO-GFCCVEGCSA-N 1 0 340.428 1.332 20 5 EDBDRO Cc1cc(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)ccc1[N+](=O)[O-] ZINC000581250561 322154943 /nfs/dbraw/zinc/15/49/43/322154943.db2.gz OTDUFYBOYWWPBQ-CQSZACIVSA-N 1 0 333.388 1.731 20 5 EDBDRO Cc1cc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc(C)c1O ZINC000581662770 322205325 /nfs/dbraw/zinc/20/53/25/322205325.db2.gz WIELMAJMNATIGM-HNNXBMFYSA-N 1 0 334.376 1.307 20 5 EDBDRO Cn1c(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000342151006 444535571 /nfs/dbraw/zinc/53/55/71/444535571.db2.gz JRQVZWSKUTVWBI-CQSZACIVSA-N 1 0 330.388 1.836 20 5 EDBDRO C[C@@H](Cn1cccn1)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000343902917 444656957 /nfs/dbraw/zinc/65/69/57/444656957.db2.gz DGBOIRRFYGXCLP-LBPRGKRZSA-N 1 0 345.359 1.768 20 5 EDBDRO CNS(=O)(=O)c1ccc(NCC[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000338396936 444672728 /nfs/dbraw/zinc/67/27/28/444672728.db2.gz FGYIJAFHEXOLRO-UHFFFAOYSA-N 1 0 330.410 1.255 20 5 EDBDRO NC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CCNc1ccccc1[N+](=O)[O-] ZINC000342408212 444679592 /nfs/dbraw/zinc/67/95/92/444679592.db2.gz IIPMMPNNCBLNNY-OAHLLOKOSA-N 1 0 346.362 1.832 20 5 EDBDRO O=C(C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000344056594 444754689 /nfs/dbraw/zinc/75/46/89/444754689.db2.gz JUKINOMIGHFCFG-NOLJZWGESA-N 1 0 331.372 1.187 20 5 EDBDRO C[N@H+](CC[C@H]1CCCO1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000342598265 444766885 /nfs/dbraw/zinc/76/68/85/444766885.db2.gz IWSJUOSQZSYNHH-OAHLLOKOSA-N 1 0 333.388 1.985 20 5 EDBDRO Cn1cc(C(=O)NC[C@@H]2CC[NH2+]C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000342700924 444822574 /nfs/dbraw/zinc/82/25/74/444822574.db2.gz BRRYEIYUPSJDHU-LLVKDONJSA-N 1 0 329.360 1.335 20 5 EDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000344190222 444830424 /nfs/dbraw/zinc/83/04/24/444830424.db2.gz PVEQXWLGEWXZTB-GFCCVEGCSA-N 1 0 346.391 1.636 20 5 EDBDRO C[NH+](C)CCn1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])n1 ZINC000338761980 444841816 /nfs/dbraw/zinc/84/18/16/444841816.db2.gz LHFUQXGNUADQPV-UHFFFAOYSA-N 1 0 349.416 2.084 20 5 EDBDRO COCC[C@H]1CCCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000342744914 444845222 /nfs/dbraw/zinc/84/52/22/444845222.db2.gz LYIZJELQBISZPA-HIFRSBDPSA-N 1 0 326.397 1.291 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000342753785 444849450 /nfs/dbraw/zinc/84/94/50/444849450.db2.gz QFOSJWWBJPSMRK-RBSFLKMASA-N 1 0 336.388 1.693 20 5 EDBDRO C[NH+](C)CCOc1cccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000344276428 444876118 /nfs/dbraw/zinc/87/61/18/444876118.db2.gz WXJHOUMOJRFRCI-UHFFFAOYSA-N 1 0 347.375 1.761 20 5 EDBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000341701854 444957329 /nfs/dbraw/zinc/95/73/29/444957329.db2.gz PRSVPVABOSFPDQ-NSHDSACASA-N 1 0 337.376 1.826 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000337304768 445025172 /nfs/dbraw/zinc/02/51/72/445025172.db2.gz QVBRGYCNMDBPEH-HIFRSBDPSA-N 1 0 341.433 1.711 20 5 EDBDRO CC[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000330522197 445017068 /nfs/dbraw/zinc/01/70/68/445017068.db2.gz MEGMEZKJQGXFGT-CQSZACIVSA-N 1 0 342.417 1.575 20 5 EDBDRO O=C(NCCNc1cc[nH+]cc1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000341878963 445049109 /nfs/dbraw/zinc/04/91/09/445049109.db2.gz XKKZOXBNUCCRNJ-UHFFFAOYSA-N 1 0 326.316 1.130 20 5 EDBDRO C[NH+](C)Cc1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])cn1 ZINC000339236382 445105644 /nfs/dbraw/zinc/10/56/44/445105644.db2.gz GVNANQCNMMDOSS-UHFFFAOYSA-N 1 0 343.387 1.893 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC1CC[NH+](C)CC1 ZINC000330850604 445165616 /nfs/dbraw/zinc/16/56/16/445165616.db2.gz WPGGDFMMMNRXGX-LBPRGKRZSA-N 1 0 338.412 1.038 20 5 EDBDRO O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN[C@@H](c2ccncc2)C1 ZINC000337665940 445193419 /nfs/dbraw/zinc/19/34/19/445193419.db2.gz SLMJVKUASFIZRZ-OAHLLOKOSA-N 1 0 328.328 1.482 20 5 EDBDRO Cc1cnc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000343421763 445219561 /nfs/dbraw/zinc/21/95/61/445219561.db2.gz DMVWOXFUVCLSHA-HUUCEWRRSA-N 1 0 333.436 1.760 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000347949602 445257080 /nfs/dbraw/zinc/25/70/80/445257080.db2.gz VLNONWIQCSRJGR-GFCCVEGCSA-N 1 0 341.383 1.874 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351826392 445335266 /nfs/dbraw/zinc/33/52/66/445335266.db2.gz GTMGEDBOUGQLMJ-JLLWLGSASA-N 1 0 338.412 1.023 20 5 EDBDRO COc1c(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)cccc1[N+](=O)[O-] ZINC000356986670 445362366 /nfs/dbraw/zinc/36/23/66/445362366.db2.gz QOAZLVFYCCDKMD-LBPRGKRZSA-N 1 0 337.376 1.132 20 5 EDBDRO CC(=O)N1CCC([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000354641005 445324460 /nfs/dbraw/zinc/32/44/60/445324460.db2.gz ZOVXZDZRVKDRPA-LLVKDONJSA-N 1 0 334.376 1.522 20 5 EDBDRO C[NH+](C)[C@@]1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCSC1 ZINC000359740262 445401312 /nfs/dbraw/zinc/40/13/12/445401312.db2.gz QOHPUQQJWPHTQF-CQSZACIVSA-N 1 0 327.381 1.901 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000359784970 445427242 /nfs/dbraw/zinc/42/72/42/445427242.db2.gz ARZHTPINJIGTIJ-MRXNPFEDSA-N 1 0 337.376 1.315 20 5 EDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000357290333 445528517 /nfs/dbraw/zinc/52/85/17/445528517.db2.gz CQPJJLAQOZAREV-XHBSWPGZSA-N 1 0 343.387 1.897 20 5 EDBDRO C[NH+](C)CCOc1cc(-c2noc(-c3cc([N+](=O)[O-])c[nH]3)n2)ccn1 ZINC000357291108 445529517 /nfs/dbraw/zinc/52/95/17/445529517.db2.gz DVCABQYBOWSWIC-UHFFFAOYSA-N 1 0 344.331 1.975 20 5 EDBDRO O=C([C@H]1CCCO1)N1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000360195600 445622328 /nfs/dbraw/zinc/62/23/28/445622328.db2.gz UKMJAQFQSQJKLY-QGZVFWFLSA-N 1 0 347.415 1.851 20 5 EDBDRO C[C@H]1CN(C)CC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349661368 445638857 /nfs/dbraw/zinc/63/88/57/445638857.db2.gz FSIVYVURUJXUNK-WFASDCNBSA-N 1 0 341.433 1.298 20 5 EDBDRO COc1ccc(C(=O)N2CC[C@H]([N@H+](C)CCO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000356053049 445591773 /nfs/dbraw/zinc/59/17/73/445591773.db2.gz WEZIYSWADRDRBQ-AAEUAGOBSA-N 1 0 337.376 1.131 20 5 EDBDRO C[C@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000349705229 445651053 /nfs/dbraw/zinc/65/10/53/445651053.db2.gz GKPVQEDMJVTRIF-LLVKDONJSA-N 1 0 331.376 1.675 20 5 EDBDRO C[NH+](C)CCOCCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000349728114 445657609 /nfs/dbraw/zinc/65/76/09/445657609.db2.gz VWFWHDHXFJAGTO-UHFFFAOYSA-N 1 0 327.406 1.381 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCC23CCOCC3)c1 ZINC000363109410 445681778 /nfs/dbraw/zinc/68/17/78/445681778.db2.gz UAMPIKXIWUSGJO-OAHLLOKOSA-N 1 0 336.388 1.980 20 5 EDBDRO Cn1ccnc1[C@@H](NC[C@@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000353676822 445703220 /nfs/dbraw/zinc/70/32/20/445703220.db2.gz WWUMHKUHMIORTB-RDJZCZTQSA-N 1 0 345.403 1.074 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000363389450 445784167 /nfs/dbraw/zinc/78/41/67/445784167.db2.gz CRVJTFVJNORHME-ZDUSSCGKSA-N 1 0 335.408 1.623 20 5 EDBDRO C[C@@H]1CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1[NH+](C)C ZINC000358837408 445802493 /nfs/dbraw/zinc/80/24/93/445802493.db2.gz XRFPWSLOVAGVFP-DOMZBBRYSA-N 1 0 348.403 1.775 20 5 EDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000354017385 445857115 /nfs/dbraw/zinc/85/71/15/445857115.db2.gz AHAVMAMYFQESLV-NSHDSACASA-N 1 0 335.360 1.532 20 5 EDBDRO CC[NH+]1CCN(CCC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000359133987 445971622 /nfs/dbraw/zinc/97/16/22/445971622.db2.gz CCXFKJYCIWEARK-UHFFFAOYSA-N 1 0 348.447 1.623 20 5 EDBDRO COC(=O)c1cnc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000365057815 445998831 /nfs/dbraw/zinc/99/88/31/445998831.db2.gz BPXBKTXTVRQWDS-NEPJUHHUSA-N 1 0 336.348 1.052 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000361884236 446038866 /nfs/dbraw/zinc/03/88/66/446038866.db2.gz IFHBRHFVOZXKLX-AAEUAGOBSA-N 1 0 348.403 1.749 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000583199225 326025218 /nfs/dbraw/zinc/02/52/18/326025218.db2.gz DHKVMVABLPGDOB-SOUVJXGZSA-N 1 0 336.779 1.951 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000583626640 326106293 /nfs/dbraw/zinc/10/62/93/326106293.db2.gz ZUASCKKIXNSSLL-INIZCTEOSA-N 1 0 337.424 1.149 20 5 EDBDRO C[C@@H](C(=O)NCC1([NH+](C)C)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000583727317 326125738 /nfs/dbraw/zinc/12/57/38/326125738.db2.gz AKINOMGXQDBQPV-CYBMUJFWSA-N 1 0 335.404 1.925 20 5 EDBDRO CC(C)n1ncc2c1C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000583990142 326178703 /nfs/dbraw/zinc/17/87/03/326178703.db2.gz INSGOHZNBWZFID-UKRRQHHQSA-N 1 0 348.407 1.077 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000351493702 446096905 /nfs/dbraw/zinc/09/69/05/446096905.db2.gz NBCNHZFZJGDNNI-VTPLQMEGSA-N 1 0 348.403 1.600 20 5 EDBDRO CSC1(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[NH+](C)CC1 ZINC000359262492 446098647 /nfs/dbraw/zinc/09/86/47/446098647.db2.gz BRFBPNBOYBOIDL-UHFFFAOYSA-N 1 0 340.405 1.253 20 5 EDBDRO COCCC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000369661125 446141247 /nfs/dbraw/zinc/14/12/47/446141247.db2.gz OWJRCQNCAXRNHN-UHFFFAOYSA-N 1 0 337.376 1.485 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CCC[C@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000370351159 446242679 /nfs/dbraw/zinc/24/26/79/446242679.db2.gz ZQKBVSHGSXTNEX-CQSZACIVSA-N 1 0 349.435 1.975 20 5 EDBDRO COCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CC=CCC1 ZINC000362251736 446285989 /nfs/dbraw/zinc/28/59/89/446285989.db2.gz YVJDWOXPNGPFEX-GOEBONIOSA-N 1 0 338.408 1.457 20 5 EDBDRO COCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CC=CCC1 ZINC000362251735 446286731 /nfs/dbraw/zinc/28/67/31/446286731.db2.gz YVJDWOXPNGPFEX-GDBMZVCRSA-N 1 0 338.408 1.457 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)c1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000370580729 446340990 /nfs/dbraw/zinc/34/09/90/446340990.db2.gz WYHXBVCWLCATCQ-WBVHZDCISA-N 1 0 347.371 1.710 20 5 EDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCCc2nc[nH]c21 ZINC000370607103 446354971 /nfs/dbraw/zinc/35/49/71/446354971.db2.gz TVPPXNQPADAZJR-VIFPVBQESA-N 1 0 326.316 2.253 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000420247813 446430766 /nfs/dbraw/zinc/43/07/66/446430766.db2.gz VSKDPUHFRQTYAP-RISCZKNCSA-N 1 0 343.387 1.969 20 5 EDBDRO COC[C@@]1(CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCC[NH2+]1 ZINC000420259163 446436910 /nfs/dbraw/zinc/43/69/10/446436910.db2.gz YMEJAAFLVYOEIV-HNNXBMFYSA-N 1 0 333.348 1.825 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC[NH+]1CCCC1 ZINC000411238479 446438820 /nfs/dbraw/zinc/43/88/20/446438820.db2.gz DBJVQUKVQYJFHI-UHFFFAOYSA-N 1 0 334.376 1.362 20 5 EDBDRO C[C@@H](Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)[C@H](C)[NH3+] ZINC000420265809 446439649 /nfs/dbraw/zinc/43/96/49/446439649.db2.gz QCSXFNUUSGZBFX-DTWKUNHWSA-N 1 0 337.767 1.942 20 5 EDBDRO Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000411242352 446440098 /nfs/dbraw/zinc/44/00/98/446440098.db2.gz RNZWAPQKHCHHGT-NSHDSACASA-N 1 0 334.376 1.441 20 5 EDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H](C[NH3+])C2CCCC2)s1 ZINC000420289782 446454261 /nfs/dbraw/zinc/45/42/61/446454261.db2.gz ZYQRSYKVGMHBSC-SECBINFHSA-N 1 0 333.435 1.989 20 5 EDBDRO [NH3+]CC1(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000423233056 446460917 /nfs/dbraw/zinc/46/09/17/446460917.db2.gz NRKJJNCRCMDCIV-UHFFFAOYSA-N 1 0 346.387 1.008 20 5 EDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000367054463 446491821 /nfs/dbraw/zinc/49/18/21/446491821.db2.gz YGEPIMZVIQNDMX-RNCFNFMXSA-N 1 0 335.389 1.802 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000420334022 446504182 /nfs/dbraw/zinc/50/41/82/446504182.db2.gz KUKVWXKPHCSVAZ-IUODEOHRSA-N 1 0 339.417 1.052 20 5 EDBDRO [NH3+]C1CCC(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000418404347 446532295 /nfs/dbraw/zinc/53/22/95/446532295.db2.gz QGUHKBQLJDEASI-UHFFFAOYSA-N 1 0 334.376 1.769 20 5 EDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420353546 446532931 /nfs/dbraw/zinc/53/29/31/446532931.db2.gz BDBYSYGPSYGFCU-DYVFJYSZSA-N 1 0 332.404 1.997 20 5 EDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420408274 446581672 /nfs/dbraw/zinc/58/16/72/446581672.db2.gz WAJKWTDBKLCSSK-VHSXEESVSA-N 1 0 326.784 1.869 20 5 EDBDRO [NH3+]CC1(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCCC1 ZINC000420412342 446586664 /nfs/dbraw/zinc/58/66/64/446586664.db2.gz CVKYBRQFZNTGOT-UHFFFAOYSA-N 1 0 327.406 1.328 20 5 EDBDRO C[C@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420420063 446594037 /nfs/dbraw/zinc/59/40/37/446594037.db2.gz ITGLUQNTAUYQNE-JSGCOSHPSA-N 1 0 341.433 1.526 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420430251 446605881 /nfs/dbraw/zinc/60/58/81/446605881.db2.gz CHXWYIMIIWECID-AAEUAGOBSA-N 1 0 327.406 1.055 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@]1(C)C[NH3+] ZINC000420458717 446636555 /nfs/dbraw/zinc/63/65/55/446636555.db2.gz KTTBKUNRQXHECH-BXUZGUMPSA-N 1 0 327.406 1.341 20 5 EDBDRO Cc1nc(CN(C)[C@H]2CCCN(c3ncc([N+](=O)[O-])cn3)CC2)no1 ZINC000376691582 446654736 /nfs/dbraw/zinc/65/47/36/446654736.db2.gz SSZFQMFSLZGDAX-LBPRGKRZSA-N 1 0 347.379 1.567 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(C)CC[NH2+]CC1 ZINC000420454564 446630708 /nfs/dbraw/zinc/63/07/08/446630708.db2.gz WCCIZTPZYMRPLQ-UHFFFAOYSA-N 1 0 327.406 1.578 20 5 EDBDRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000423821112 446710831 /nfs/dbraw/zinc/71/08/31/446710831.db2.gz DGHLNWQJWHNKMV-GXTWGEPZSA-N 1 0 335.408 1.862 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000368232156 446726029 /nfs/dbraw/zinc/72/60/29/446726029.db2.gz PYHRGSMWZBBXSL-ILXRZTDVSA-N 1 0 336.392 1.186 20 5 EDBDRO O=C(C[C@@H]1CSCC[NH2+]1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423846018 446728719 /nfs/dbraw/zinc/72/87/19/446728719.db2.gz NHESOQDVIQJTKX-SNVBAGLBSA-N 1 0 329.809 1.960 20 5 EDBDRO O=C1[C@H]([NH2+][C@H](CO)[C@@H]2CCCOC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000411999280 446780068 /nfs/dbraw/zinc/78/00/68/446780068.db2.gz XGWSZLCXILDLKN-DAXOMENPSA-N 1 0 349.387 1.077 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000420774147 446811333 /nfs/dbraw/zinc/81/13/33/446811333.db2.gz YCEBWSDCLMXLDI-GFCCVEGCSA-N 1 0 327.406 1.618 20 5 EDBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000424000669 446816173 /nfs/dbraw/zinc/81/61/73/446816173.db2.gz MHIWPOFSJGBKPX-FUHWJXTLSA-N 1 0 347.415 1.882 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420772017 446808130 /nfs/dbraw/zinc/80/81/30/446808130.db2.gz TUVLARYXBSMQRR-GFCCVEGCSA-N 1 0 343.405 1.318 20 5 EDBDRO C[C@@H]1CN(CCO)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000454362727 446858111 /nfs/dbraw/zinc/85/81/11/446858111.db2.gz XKNBKWIBDZPQPX-SNVBAGLBSA-N 1 0 326.328 1.264 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[N@H+](C)CC[C@H]2C)c1F ZINC000412123580 446870882 /nfs/dbraw/zinc/87/08/82/446870882.db2.gz PKJQAVBOPLMBKS-LLVKDONJSA-N 1 0 339.367 1.838 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000442295921 446889444 /nfs/dbraw/zinc/88/94/44/446889444.db2.gz SVBBVIMYPSWWMF-STQMWFEESA-N 1 0 348.403 1.701 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000412337152 446941512 /nfs/dbraw/zinc/94/15/12/446941512.db2.gz JDHJBZWLFFVLKA-VVLHAWIVSA-N 1 0 345.399 1.630 20 5 EDBDRO C[C@@H](NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000419132755 446941415 /nfs/dbraw/zinc/94/14/15/446941415.db2.gz FFERICCVEJVNOC-VXGBXAGGSA-N 1 0 334.376 1.030 20 5 EDBDRO COC(=O)c1cc(CN2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cn1C ZINC000368578639 446955599 /nfs/dbraw/zinc/95/55/99/446955599.db2.gz OTPNXTQBWNEETR-ZDUSSCGKSA-N 1 0 347.375 1.754 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@H](C[NH3+])C[C@H]1C ZINC000442780762 446964857 /nfs/dbraw/zinc/96/48/57/446964857.db2.gz LKPHIMPBUFVMLM-WOPDTQHZSA-N 1 0 336.392 1.600 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000368652377 447006266 /nfs/dbraw/zinc/00/62/66/447006266.db2.gz LAILJZVGZVABEB-HZPDHXFCSA-N 1 0 333.388 1.195 20 5 EDBDRO C[C@H]1CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H]1CO ZINC000442881977 446988806 /nfs/dbraw/zinc/98/88/06/446988806.db2.gz OTGIOOXZMAXZDJ-SMDDNHRTSA-N 1 0 335.360 1.596 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000419174551 446989094 /nfs/dbraw/zinc/98/90/94/446989094.db2.gz WJNULSLCPOGENS-ZLDLUXBVSA-N 1 0 348.403 1.406 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000419272492 447048027 /nfs/dbraw/zinc/04/80/27/447048027.db2.gz PTZGWVOSXLHBRJ-OLZOCXBDSA-N 1 0 348.403 1.196 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000419278593 447052645 /nfs/dbraw/zinc/05/26/45/447052645.db2.gz VPIDMHVANZTJPC-AGIUHOORSA-N 1 0 348.403 1.276 20 5 EDBDRO C[C@H](CO)[N@@H+]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444698215 447124708 /nfs/dbraw/zinc/12/47/08/447124708.db2.gz COCYUNKNUVAULS-GFCCVEGCSA-N 1 0 333.392 1.360 20 5 EDBDRO C[N@@H+](Cc1cc(F)cc(F)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000444711757 447125438 /nfs/dbraw/zinc/12/54/38/447125438.db2.gz XJVZNZPKGZRBKN-CQSZACIVSA-N 1 0 326.303 1.562 20 5 EDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](c2nnc[nH]2)C1 ZINC000425550294 447225890 /nfs/dbraw/zinc/22/58/90/447225890.db2.gz OYHVJSFBFHBTEY-QWRGUYRKSA-N 1 0 330.348 1.529 20 5 EDBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000368966713 447229954 /nfs/dbraw/zinc/22/99/54/447229954.db2.gz QMAJGRZPQLJZKO-ISOBSLSZSA-N 1 0 330.344 1.822 20 5 EDBDRO CC(C)C[N@@H+]1CCO[C@H](CN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C1 ZINC000447684810 447288577 /nfs/dbraw/zinc/28/85/77/447288577.db2.gz DYJVGNAEQVQHAX-CYBMUJFWSA-N 1 0 333.392 1.662 20 5 EDBDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000372739097 447260061 /nfs/dbraw/zinc/26/00/61/447260061.db2.gz IDUXKUIOZDBBIW-UKRRQHHQSA-N 1 0 334.380 1.031 20 5 EDBDRO Cc1nc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ncc1[N+](=O)[O-] ZINC000450434058 447488344 /nfs/dbraw/zinc/48/83/44/447488344.db2.gz MIXCCLCSXXJCHZ-OAHLLOKOSA-N 1 0 343.387 1.872 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000415519841 447493828 /nfs/dbraw/zinc/49/38/28/447493828.db2.gz KAIAESUGGHRXKL-JQWIXIFHSA-N 1 0 334.376 1.346 20 5 EDBDRO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1CC1 ZINC000450719521 447557361 /nfs/dbraw/zinc/55/73/61/447557361.db2.gz WGPYVBBZWOLMNT-UHFFFAOYSA-N 1 0 343.387 1.947 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@@H]([NH3+])[C@H]1C ZINC000457356762 447564491 /nfs/dbraw/zinc/56/44/91/447564491.db2.gz HPEVVKGYZSYHKK-IJLUTSLNSA-N 1 0 338.412 1.165 20 5 EDBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])cnc1N)CCC(F)(F)F ZINC000427254506 447569241 /nfs/dbraw/zinc/56/92/41/447569241.db2.gz ACTIEEVPQQKKAH-UHFFFAOYSA-N 1 0 349.313 1.576 20 5 EDBDRO CCOC(=O)c1cc(N2CC[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000450958393 447634385 /nfs/dbraw/zinc/63/43/85/447634385.db2.gz VVLPNIZHKKWETE-GFCCVEGCSA-N 1 0 337.376 1.274 20 5 EDBDRO [NH3+]CC1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000420179744 447658347 /nfs/dbraw/zinc/65/83/47/447658347.db2.gz FXHDYINTBHDFGF-UHFFFAOYSA-N 1 0 334.420 1.602 20 5 EDBDRO C[C@@H](C[NH3+])CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000420211900 447671840 /nfs/dbraw/zinc/67/18/40/447671840.db2.gz FXNXVJGZAKYUIT-VIFPVBQESA-N 1 0 337.767 1.801 20 5 EDBDRO O=C(c1ccc(NC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000420228218 447679456 /nfs/dbraw/zinc/67/94/56/447679456.db2.gz KSQUNECOXUVIAS-LBPRGKRZSA-N 1 0 334.376 1.089 20 5 EDBDRO CCNC(=O)C(C)(C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000459596821 447717149 /nfs/dbraw/zinc/71/71/49/447717149.db2.gz NZPQVIQWSKCHCL-UHFFFAOYSA-N 1 0 336.392 1.736 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000459722388 447752065 /nfs/dbraw/zinc/75/20/65/447752065.db2.gz WRENWNLOHRNXMV-UHFFFAOYSA-N 1 0 349.431 1.874 20 5 EDBDRO Cc1nn(CCC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000523285021 447877668 /nfs/dbraw/zinc/87/76/68/447877668.db2.gz RDFKMXQOGFBCMN-AWEZNQCLSA-N 1 0 337.424 1.645 20 5 EDBDRO CNc1nccc(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000570104890 447947792 /nfs/dbraw/zinc/94/77/92/447947792.db2.gz RCBMJLHHSSJNGA-ZDUSSCGKSA-N 1 0 349.435 2.129 20 5 EDBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H](C)O1 ZINC000531013735 448000982 /nfs/dbraw/zinc/00/09/82/448000982.db2.gz CUHVINQMWZISHV-CHWSQXEVSA-N 1 0 338.408 1.553 20 5 EDBDRO CN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@@H]1CCC[N@H+](C)C1 ZINC000525008946 447966242 /nfs/dbraw/zinc/96/62/42/447966242.db2.gz QRDFQLOFMABBLC-LLVKDONJSA-N 1 0 335.360 1.532 20 5 EDBDRO CCOc1cccc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000576862376 448156507 /nfs/dbraw/zinc/15/65/07/448156507.db2.gz AAOGGSSPBMJAJA-HNNXBMFYSA-N 1 0 334.376 1.383 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[N@H+]2CC[C@@H](C)C2)c1C ZINC000532195761 448214938 /nfs/dbraw/zinc/21/49/38/448214938.db2.gz XWTXQPYGTXYLNP-LLVKDONJSA-N 1 0 341.433 1.832 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000591303899 448314905 /nfs/dbraw/zinc/31/49/05/448314905.db2.gz GHIKHWUYIRPJPI-HZMBPMFUSA-N 1 0 338.364 1.573 20 5 EDBDRO CNc1nccc(C(=O)N(CC[NH+](C)C)C2CCCCC2)c1[N+](=O)[O-] ZINC000563374911 448298134 /nfs/dbraw/zinc/29/81/34/448298134.db2.gz XYZHDWCBDOGCCL-UHFFFAOYSA-N 1 0 349.435 2.368 20 5 EDBDRO CN(C[C@H](O)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000572150325 448302554 /nfs/dbraw/zinc/30/25/54/448302554.db2.gz UJRDNRZMCLYQBK-CQSZACIVSA-N 1 0 327.812 1.835 20 5 EDBDRO O=C(NC[C@H]1CCCC[NH2+]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000591358967 448342260 /nfs/dbraw/zinc/34/22/60/448342260.db2.gz VYUCFPNTASJPBB-GFCCVEGCSA-N 1 0 336.396 1.280 20 5 EDBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000577645140 448350203 /nfs/dbraw/zinc/35/02/03/448350203.db2.gz CXWURHSSJFJVMB-UHFFFAOYSA-N 1 0 331.376 1.958 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000572345601 448351282 /nfs/dbraw/zinc/35/12/82/448351282.db2.gz YQEUYKQTSDHUMK-QGZVFWFLSA-N 1 0 346.387 1.444 20 5 EDBDRO [NH3+]CC[C@H]1CCCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591351706 448336669 /nfs/dbraw/zinc/33/66/69/448336669.db2.gz ZUYSVKCUCMSPNI-CYBMUJFWSA-N 1 0 336.392 1.744 20 5 EDBDRO Cc1c(CN2C(=O)N[C@@]3(CCCC[C@H]3C[NH3+])C2=O)cccc1[N+](=O)[O-] ZINC000566182556 448407286 /nfs/dbraw/zinc/40/72/86/448407286.db2.gz KOHAIDINKDYEHK-SUMWQHHRSA-N 1 0 346.387 1.843 20 5 EDBDRO CNc1nccc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000566437122 448470958 /nfs/dbraw/zinc/47/09/58/448470958.db2.gz XAWBSONOPWEOAE-LBPRGKRZSA-N 1 0 333.392 1.732 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCN(C3CCCC3)C2)c1 ZINC000591734002 448476639 /nfs/dbraw/zinc/47/66/39/448476639.db2.gz UHSWPXXFQVXFDX-RHSMWYFYSA-N 1 0 349.431 1.941 20 5 EDBDRO CC[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1ccccc1C ZINC000591749419 448480745 /nfs/dbraw/zinc/48/07/45/448480745.db2.gz PBZBIKMSFZLBNE-HOTGVXAUSA-N 1 0 348.403 1.908 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2COc3ccc(Cl)cc32)c1 ZINC000591754441 448481594 /nfs/dbraw/zinc/48/15/94/448481594.db2.gz LSAJDHRVEMIUHP-DGCLKSJQSA-N 1 0 338.751 1.529 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000573007647 448522221 /nfs/dbraw/zinc/52/22/21/448522221.db2.gz HOLKZVBZPQZMAR-BCNIOPEESA-N 1 0 339.417 1.622 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)c1 ZINC000584528928 448559033 /nfs/dbraw/zinc/55/90/33/448559033.db2.gz GDDWCMFCHXXIFM-LBPRGKRZSA-N 1 0 327.406 1.571 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000573191952 448563137 /nfs/dbraw/zinc/56/31/37/448563137.db2.gz INIVPPAQVILZGI-YPMHNXCESA-N 1 0 325.390 1.194 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000517359973 448575852 /nfs/dbraw/zinc/57/58/52/448575852.db2.gz YJXJOYTYKLJRLD-KBPBESRZSA-N 1 0 346.387 1.698 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000573111237 448546053 /nfs/dbraw/zinc/54/60/53/448546053.db2.gz OQFZBWLETQIAKG-KFWWJZLASA-N 1 0 335.404 1.551 20 5 EDBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000573327028 448600334 /nfs/dbraw/zinc/60/03/34/448600334.db2.gz YXMVCXIDGBJOEJ-GFCCVEGCSA-N 1 0 337.424 1.715 20 5 EDBDRO COc1cc(C(=O)N(C)CCC[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000540515206 448639984 /nfs/dbraw/zinc/63/99/84/448639984.db2.gz BIMKMSBHIHFIIN-UHFFFAOYSA-N 1 0 325.365 1.636 20 5 EDBDRO C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000518315177 448663927 /nfs/dbraw/zinc/66/39/27/448663927.db2.gz ZBISMLXHBWGVJP-CZUORRHYSA-N 1 0 335.404 1.661 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000574168387 448808573 /nfs/dbraw/zinc/80/85/73/448808573.db2.gz KEJIWTCLUCSFOC-ZDUSSCGKSA-N 1 0 348.403 1.751 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000592329303 448793194 /nfs/dbraw/zinc/79/31/94/448793194.db2.gz WBXYFKCFVZMICW-RYUDHWBXSA-N 1 0 338.412 1.086 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000592382274 448814564 /nfs/dbraw/zinc/81/45/64/448814564.db2.gz MLTMQQKVYPAVCI-TZMCWYRMSA-N 1 0 341.433 1.905 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000592334628 448795345 /nfs/dbraw/zinc/79/53/45/448795345.db2.gz CSESKRCUPVSKBC-AAEUAGOBSA-N 1 0 339.323 1.153 20 5 EDBDRO CN(CC[NH+](C)C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000574213710 448819398 /nfs/dbraw/zinc/81/93/98/448819398.db2.gz ZSGAWWRHUGAWHZ-UHFFFAOYSA-N 1 0 333.392 1.822 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592428806 448831864 /nfs/dbraw/zinc/83/18/64/448831864.db2.gz VOJXPKBVVIKDIH-MLGOLLRUSA-N 1 0 345.403 1.543 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCO1 ZINC000592475162 448852584 /nfs/dbraw/zinc/85/25/84/448852584.db2.gz YLOPTAFKRHRXOY-ZWNOBZJWSA-N 1 0 333.348 1.193 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000592475167 448852863 /nfs/dbraw/zinc/85/28/63/448852863.db2.gz ZDWVMSGPEFWDIE-TYNCELHUSA-N 1 0 336.392 1.278 20 5 EDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000592487177 448858298 /nfs/dbraw/zinc/85/82/98/448858298.db2.gz QBTYEYUICCQRMM-GUYCJALGSA-N 1 0 332.404 1.997 20 5 EDBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000592568705 448905571 /nfs/dbraw/zinc/90/55/71/448905571.db2.gz NNULVXPFZRJWBC-SNVBAGLBSA-N 1 0 333.344 1.728 20 5 EDBDRO COc1ccc(CC(=O)N[C@H]2CC[NH2+]C23CCCC3)cc1[N+](=O)[O-] ZINC000592571172 448905819 /nfs/dbraw/zinc/90/58/19/448905819.db2.gz ULDWQOGGQQURAA-HNNXBMFYSA-N 1 0 333.388 1.937 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548089414 448980811 /nfs/dbraw/zinc/98/08/11/448980811.db2.gz JWTOKKHCDWGBSZ-RISCZKNCSA-N 1 0 329.360 1.568 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588861305 448941424 /nfs/dbraw/zinc/94/14/24/448941424.db2.gz PREJCIMCZAOBDD-LSDHHAIUSA-N 1 0 347.415 1.801 20 5 EDBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588862547 448941947 /nfs/dbraw/zinc/94/19/47/448941947.db2.gz FIILNHYAZNZUCH-JSGCOSHPSA-N 1 0 339.779 1.529 20 5 EDBDRO C[N@@H+]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H](c2ccccc2)C1 ZINC000592879650 449033915 /nfs/dbraw/zinc/03/39/15/449033915.db2.gz AZXNYBJKJUIUIK-OLZOCXBDSA-N 1 0 329.360 1.393 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000589928865 449083165 /nfs/dbraw/zinc/08/31/65/449083165.db2.gz HEOPTXQYSZZZIO-DZGCQCFKSA-N 1 0 339.417 1.103 20 5 EDBDRO C[NH+]1CCC(CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000589832509 449065249 /nfs/dbraw/zinc/06/52/49/449065249.db2.gz KFWRPQDVXQNOCR-UHFFFAOYSA-N 1 0 347.419 1.370 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000590012786 449096836 /nfs/dbraw/zinc/09/68/36/449096836.db2.gz YNJMFWGCXJDUMK-BXUZGUMPSA-N 1 0 334.376 1.178 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000599887398 449100575 /nfs/dbraw/zinc/10/05/75/449100575.db2.gz CNGNKTGRELWJQK-OAHLLOKOSA-N 1 0 348.403 1.552 20 5 EDBDRO CO[C@@]1(CO)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000595657982 449101063 /nfs/dbraw/zinc/10/10/63/449101063.db2.gz GIPOMWRKLLRWFS-INIZCTEOSA-N 1 0 337.376 1.397 20 5 EDBDRO Cc1ccc(NCCCNC(=O)N[C@@H]2CC[NH2+][C@H]2C)c([N+](=O)[O-])c1 ZINC000599916643 449107243 /nfs/dbraw/zinc/10/72/43/449107243.db2.gz LOMDQQODSUJEFK-QWHCGFSZSA-N 1 0 335.408 1.755 20 5 EDBDRO C[NH+](C)CCn1cc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000593049414 449114582 /nfs/dbraw/zinc/11/45/82/449114582.db2.gz PQTJCXCAUVVEEM-UHFFFAOYSA-N 1 0 335.339 1.673 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000595767114 449156220 /nfs/dbraw/zinc/15/62/20/449156220.db2.gz UIPMEGKCILHFLO-BXUZGUMPSA-N 1 0 337.376 1.777 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC[C@@]2(O)CCCOC2)n1 ZINC000593721542 449160240 /nfs/dbraw/zinc/16/02/40/449160240.db2.gz PDJCEEQCIKLKGO-FMKPAKJESA-N 1 0 338.408 1.796 20 5 EDBDRO O=C(C[NH2+][C@@H]1C[C@@H](O)C12CCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595779226 449160935 /nfs/dbraw/zinc/16/09/35/449160935.db2.gz ARMREWOXFFHJDS-HUUCEWRRSA-N 1 0 331.372 1.377 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NCCC2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000593733606 449169377 /nfs/dbraw/zinc/16/93/77/449169377.db2.gz XQLFJGCLJLOFLF-UHFFFAOYSA-N 1 0 341.433 1.880 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)CCO ZINC000593107493 449138210 /nfs/dbraw/zinc/13/82/10/449138210.db2.gz KNAKDYVDKPDVPA-LLVKDONJSA-N 1 0 325.365 1.635 20 5 EDBDRO COC(=O)c1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000599988557 449139562 /nfs/dbraw/zinc/13/95/62/449139562.db2.gz HZDBDCMTZHRDTG-WDNDVIMCSA-N 1 0 333.344 1.013 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1OC ZINC000599988561 449139813 /nfs/dbraw/zinc/13/98/13/449139813.db2.gz ICLXCDWPOJUHEG-ATCWAGBWSA-N 1 0 349.387 1.634 20 5 EDBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000590388386 449144112 /nfs/dbraw/zinc/14/41/12/449144112.db2.gz MIRMXYSQLNWQHT-ZDUSSCGKSA-N 1 0 333.388 1.920 20 5 EDBDRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000590401464 449149150 /nfs/dbraw/zinc/14/91/50/449149150.db2.gz KQSULCAKHOECBP-WDEREUQCSA-N 1 0 325.390 1.592 20 5 EDBDRO CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H]1CC[N@H+](CC)C1 ZINC000598039073 449208628 /nfs/dbraw/zinc/20/86/28/449208628.db2.gz IFSVSWFRNZWTRT-LBPRGKRZSA-N 1 0 335.360 1.880 20 5 EDBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000590566151 449192841 /nfs/dbraw/zinc/19/28/41/449192841.db2.gz FICXXHOWNWWSJU-AAEUAGOBSA-N 1 0 344.375 1.340 20 5 EDBDRO O=[N+]([O-])c1ccccc1N1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000595891757 449236176 /nfs/dbraw/zinc/23/61/76/449236176.db2.gz NXFFQECTCWVIQA-AWEZNQCLSA-N 1 0 332.404 1.238 20 5 EDBDRO C[C@@](O)(C[C@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000601954923 449243208 /nfs/dbraw/zinc/24/32/08/449243208.db2.gz KPFGSGQFRMUEQN-ZWKOTPCHSA-N 1 0 349.431 1.629 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000602071719 449322062 /nfs/dbraw/zinc/32/20/62/449322062.db2.gz FAUVZKVWEQRVDI-UKRRQHHQSA-N 1 0 335.360 1.083 20 5 EDBDRO O=[N+]([O-])c1ccc2nc(NCCC[NH+]3CCC(O)CC3)ccc2c1 ZINC000596086646 449356026 /nfs/dbraw/zinc/35/60/26/449356026.db2.gz VMBYEBLHKJXYDV-UHFFFAOYSA-N 1 0 330.388 2.402 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000598343406 449357939 /nfs/dbraw/zinc/35/79/39/449357939.db2.gz UJTXBZOVFNAJRH-LBPRGKRZSA-N 1 0 344.375 1.390 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000598342908 449358019 /nfs/dbraw/zinc/35/80/19/449358019.db2.gz OSKUMDUUTUVYIG-AWEZNQCLSA-N 1 0 343.387 1.995 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000598343766 449358189 /nfs/dbraw/zinc/35/81/89/449358189.db2.gz XFAAJZZPVCIQPP-NSHDSACASA-N 1 0 335.360 1.580 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000600409777 449362038 /nfs/dbraw/zinc/36/20/38/449362038.db2.gz HBDIMEIBQQYCGP-UHFFFAOYSA-N 1 0 336.392 1.260 20 5 EDBDRO C[C@]1(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)CC[NH2+]C1 ZINC000596051467 449337314 /nfs/dbraw/zinc/33/73/14/449337314.db2.gz PCGHTNAPTKLAAV-AWEZNQCLSA-N 1 0 336.373 1.173 20 5 EDBDRO CNc1nccc(C(=O)NC2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000594257202 449414292 /nfs/dbraw/zinc/41/42/92/449414292.db2.gz VCLSLYHPUQRPNJ-UHFFFAOYSA-N 1 0 335.408 1.882 20 5 EDBDRO C[C@@H]1C[C@H](Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000596155398 449387942 /nfs/dbraw/zinc/38/79/42/449387942.db2.gz JSNSUDUSVQCAPS-KOLCDFICSA-N 1 0 340.405 1.279 20 5 EDBDRO Cc1cc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c([N+](=O)[O-])s1 ZINC000596167639 449393120 /nfs/dbraw/zinc/39/31/20/449393120.db2.gz FSSIVSNGAVIQBO-GFCCVEGCSA-N 1 0 338.433 1.708 20 5 EDBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000598539329 449453924 /nfs/dbraw/zinc/45/39/24/449453924.db2.gz HKYHRPUKAJINDT-CYBMUJFWSA-N 1 0 339.367 1.917 20 5 EDBDRO CC(C)[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000598572713 449470515 /nfs/dbraw/zinc/47/05/15/449470515.db2.gz FVMSAPYVOOHLFW-LBPRGKRZSA-N 1 0 335.360 1.436 20 5 EDBDRO CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000600662994 449479589 /nfs/dbraw/zinc/47/95/89/449479589.db2.gz ZFSAKVOOZXFAGP-FRRDWIJNSA-N 1 0 337.376 1.902 20 5 EDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598665544 449527969 /nfs/dbraw/zinc/52/79/69/449527969.db2.gz QOLSTJPEZYTAFP-CYBMUJFWSA-N 1 0 349.391 1.221 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCN2C2CCCC2)c1 ZINC000600755330 449535288 /nfs/dbraw/zinc/53/52/88/449535288.db2.gz JKRHCCZYBQVXND-IAGOWNOFSA-N 1 0 349.431 1.941 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2C[C@H]3CCC[C@@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC000598681839 449539907 /nfs/dbraw/zinc/53/99/07/449539907.db2.gz JUOMWEQYXPMVLF-XWCIJXRUSA-N 1 0 348.403 1.744 20 5 EDBDRO CCOc1ccc(NC(=O)CN2C[C@@H]3CCC[C@@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC000598682901 449540759 /nfs/dbraw/zinc/54/07/59/449540759.db2.gz QGRKSECDJBTIPV-YVEFUNNKSA-N 1 0 348.403 1.745 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000594476617 449541034 /nfs/dbraw/zinc/54/10/34/449541034.db2.gz UXRIJNBHZFRTMK-BJHJDKERSA-N 1 0 327.406 1.354 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000594476708 449541521 /nfs/dbraw/zinc/54/15/21/449541521.db2.gz XKLCRTOABQULSZ-TXEJJXNPSA-N 1 0 327.406 1.522 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598684985 449543007 /nfs/dbraw/zinc/54/30/07/449543007.db2.gz ZOWBYNDRXAEXCG-YVEFUNNKSA-N 1 0 348.403 1.745 20 5 EDBDRO O=[N+]([O-])c1c(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)nc2sccn21 ZINC000596539237 449545845 /nfs/dbraw/zinc/54/58/45/449545845.db2.gz NFQAIJSSELLUIP-LLVKDONJSA-N 1 0 337.405 1.339 20 5 EDBDRO [NH3+]C[C@H](CO)Cc1cccc(-c2cc([N+](=O)[O-])ccc2CCO)c1 ZINC000600794273 449548939 /nfs/dbraw/zinc/54/89/39/449548939.db2.gz RGIUPDDLPFGLCB-CQSZACIVSA-N 1 0 330.384 1.906 20 5 EDBDRO COC(=O)c1cc(NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)cc([N+](=O)[O-])c1 ZINC000594425947 449509153 /nfs/dbraw/zinc/50/91/53/449509153.db2.gz BQPCAVCMOBVZQQ-CZUORRHYSA-N 1 0 333.344 1.710 20 5 EDBDRO CC(C)[C@@H]1C[NH2+]CCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000600713180 449512097 /nfs/dbraw/zinc/51/20/97/449512097.db2.gz GVMLIPCBPHTUDH-HNNXBMFYSA-N 1 0 341.433 1.298 20 5 EDBDRO C[C@@H](NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000598662074 449524772 /nfs/dbraw/zinc/52/47/72/449524772.db2.gz ODTZZZXLVOULBR-VXGBXAGGSA-N 1 0 349.391 1.221 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598714716 449559138 /nfs/dbraw/zinc/55/91/38/449559138.db2.gz JKDJFBUJHYIPSU-CABZTGNLSA-N 1 0 327.406 1.488 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H](CC[NH3+])C(F)F)c(C)c1[N+](=O)[O-] ZINC000598715906 449559739 /nfs/dbraw/zinc/55/97/39/449559739.db2.gz UVPYOMFTRDMKBH-SECBINFHSA-N 1 0 337.348 1.472 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000598716285 449560230 /nfs/dbraw/zinc/56/02/30/449560230.db2.gz HTGMXZBPTJBSEN-OLZOCXBDSA-N 1 0 339.417 1.584 20 5 EDBDRO C[NH2+]C1(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000600824044 449564675 /nfs/dbraw/zinc/56/46/75/449564675.db2.gz JKKPWOOESDHMOG-UHFFFAOYSA-N 1 0 329.360 1.652 20 5 EDBDRO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000598780005 449597808 /nfs/dbraw/zinc/59/78/08/449597808.db2.gz NBYZJNKWHPACJJ-CYBMUJFWSA-N 1 0 342.355 1.700 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000594748178 449664172 /nfs/dbraw/zinc/66/41/72/449664172.db2.gz KVBZFWBIFFWWPH-RYUDHWBXSA-N 1 0 342.421 1.531 20 5 EDBDRO C[NH2+]CCOCCN(C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000602545131 449665251 /nfs/dbraw/zinc/66/52/51/449665251.db2.gz MWCYYSLDKCFWJT-UHFFFAOYSA-N 1 0 332.360 1.451 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000598995434 449686097 /nfs/dbraw/zinc/68/60/97/449686097.db2.gz VPVCPOLEMLJYCI-HUUCEWRRSA-N 1 0 341.433 1.853 20 5 EDBDRO C[C@H](CC[S@](C)=O)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602571629 449680253 /nfs/dbraw/zinc/68/02/53/449680253.db2.gz WPBYCIFZBVPUCQ-SPSFWMDKSA-N 1 0 340.449 1.705 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@]3(O)CCSC3)CC2)cn1 ZINC000602573556 449681687 /nfs/dbraw/zinc/68/16/87/449681687.db2.gz RSPSRRIWDPZBAR-OAHLLOKOSA-N 1 0 338.433 1.416 20 5 EDBDRO Cn1c(Sc2ncc(F)cc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000601118050 449700019 /nfs/dbraw/zinc/70/00/19/449700019.db2.gz FDORLZXSQAYEIL-UHFFFAOYSA-N 1 0 338.368 1.876 20 5 EDBDRO COC(=O)CCNC(=O)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000599088059 449725828 /nfs/dbraw/zinc/72/58/28/449725828.db2.gz IRCWEVRBILOTEX-LBPRGKRZSA-N 1 0 337.376 1.623 20 5 EDBDRO CCOC(=O)c1ccnc(N2CCN(CCCF)CC2)c1[N+](=O)[O-] ZINC000599093267 449727698 /nfs/dbraw/zinc/72/76/98/449727698.db2.gz ODUBIJYGTWDOMB-UHFFFAOYSA-N 1 0 340.355 1.648 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[NH2+]C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000599100190 449731807 /nfs/dbraw/zinc/73/18/07/449731807.db2.gz GIVGVFRKFNRBGL-ZDUSSCGKSA-N 1 0 341.433 1.830 20 5 EDBDRO C[S@](=O)C1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602657133 449733373 /nfs/dbraw/zinc/73/33/73/449733373.db2.gz OWJCGIJSVOZYHS-QHCPKHFHSA-N 1 0 338.433 1.459 20 5 EDBDRO Cn1cc(CN2CC[N@H+](C)[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602656873 449734160 /nfs/dbraw/zinc/73/41/60/449734160.db2.gz ZJJISNFXEBAAIQ-MRXNPFEDSA-N 1 0 329.404 1.687 20 5 EDBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602588148 449689759 /nfs/dbraw/zinc/68/97/59/449689759.db2.gz LVHGSVIQJFFDET-UWVGGRQHSA-N 1 0 327.793 1.913 20 5 EDBDRO O=C1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CN1C1CC1 ZINC000602591190 449691127 /nfs/dbraw/zinc/69/11/27/449691127.db2.gz XKAKGGAFEIUPJX-ZDUSSCGKSA-N 1 0 345.403 1.312 20 5 EDBDRO COc1ccc(CSCC(=O)N2C[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000602594721 449693207 /nfs/dbraw/zinc/69/32/07/449693207.db2.gz CMXWUSSPWPAMQZ-ZYHUDNBSSA-N 1 0 339.417 1.785 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCN3CCC(O)CC3)CC2)cn1 ZINC000602679944 449745351 /nfs/dbraw/zinc/74/53/51/449745351.db2.gz JPRACBACHSALIG-UHFFFAOYSA-N 1 0 349.435 1.005 20 5 EDBDRO C[C@@H](O)CN1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000601244049 449770897 /nfs/dbraw/zinc/77/08/97/449770897.db2.gz KYXNMKKLIUSUKS-GHMZBOCLSA-N 1 0 325.340 1.261 20 5 EDBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041057 449846738 /nfs/dbraw/zinc/84/67/38/449846738.db2.gz JXQOJCWQFSRVOD-MNOVXSKESA-N 1 0 345.421 1.582 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])s1 ZINC000601338424 449846773 /nfs/dbraw/zinc/84/67/73/449846773.db2.gz VCAYRXZDQIDOJJ-ZJUUUORDSA-N 1 0 331.419 1.480 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601334452 449842470 /nfs/dbraw/zinc/84/24/70/449842470.db2.gz KSNUKWIZQQANEQ-KBPBESRZSA-N 1 0 332.404 1.916 20 5 EDBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599279992 449854916 /nfs/dbraw/zinc/85/49/16/449854916.db2.gz SJYTUWJHGLNSBE-UHFFFAOYSA-N 1 0 347.441 1.071 20 5 EDBDRO Cc1c(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000595072178 449855314 /nfs/dbraw/zinc/85/53/14/449855314.db2.gz HASYKKVCNZPRGE-GFCCVEGCSA-N 1 0 348.403 1.831 20 5 EDBDRO Cc1c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000595072179 449855644 /nfs/dbraw/zinc/85/56/44/449855644.db2.gz HASYKKVCNZPRGE-LBPRGKRZSA-N 1 0 348.403 1.831 20 5 EDBDRO CC1(C)CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCN1CCO ZINC000614894873 449863881 /nfs/dbraw/zinc/86/38/81/449863881.db2.gz LGEQTMYWRAFMIR-UHFFFAOYSA-N 1 0 341.795 1.777 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601351348 449864114 /nfs/dbraw/zinc/86/41/14/449864114.db2.gz FLJMHMRHVYEYQO-OCCSQVGLSA-N 1 0 339.417 1.666 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000601351314 449864142 /nfs/dbraw/zinc/86/41/42/449864142.db2.gz DLUZZVXSBSXKJR-FZMZJTMJSA-N 1 0 325.390 1.357 20 5 EDBDRO CNc1ccc(C(=O)N2CCN(CCO)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000614894867 449864743 /nfs/dbraw/zinc/86/47/43/449864743.db2.gz KWTQFPQDHZRSRU-UHFFFAOYSA-N 1 0 336.392 1.165 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601351979 449865094 /nfs/dbraw/zinc/86/50/94/449865094.db2.gz RCCCBEGOFCDEGE-VXGBXAGGSA-N 1 0 325.390 1.357 20 5 EDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(CC[NH+](C)C)CC(=O)N(C)C ZINC000597203907 449868944 /nfs/dbraw/zinc/86/89/44/449868944.db2.gz ANLYSJBFMHONJT-PTNGSMBKSA-N 1 0 348.447 1.950 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000601357089 449870679 /nfs/dbraw/zinc/87/06/79/449870679.db2.gz LFVFTXCYMKFPCK-SCZZXKLOSA-N 1 0 333.435 1.726 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)c(C)cc1[N+](=O)[O-] ZINC000595108376 449873110 /nfs/dbraw/zinc/87/31/10/449873110.db2.gz ONIATQKIBKOUBE-GFCCVEGCSA-N 1 0 327.406 1.632 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000595118748 449878963 /nfs/dbraw/zinc/87/89/63/449878963.db2.gz UDWQLFWXFSIBGR-YPMHNXCESA-N 1 0 341.433 1.905 20 5 EDBDRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000595119916 449881540 /nfs/dbraw/zinc/88/15/40/449881540.db2.gz AEDFMHAXLPMOOV-LLVKDONJSA-N 1 0 335.813 1.900 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCOC3CCOCC3)C2)nc1 ZINC000599326571 449894570 /nfs/dbraw/zinc/89/45/70/449894570.db2.gz ZNXZDNAFXQTZTO-CYBMUJFWSA-N 1 0 336.392 1.672 20 5 EDBDRO CS[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000601380466 449896781 /nfs/dbraw/zinc/89/67/81/449896781.db2.gz VNZUKZUEYNYEDD-NWDGAFQWSA-N 1 0 327.381 1.852 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)c(F)cc1[N+](=O)[O-] ZINC000601342415 449851187 /nfs/dbraw/zinc/85/11/87/449851187.db2.gz XEVUKGZUWLOESR-UHFFFAOYSA-N 1 0 343.380 1.559 20 5 EDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000602953613 449954920 /nfs/dbraw/zinc/95/49/20/449954920.db2.gz BQDVJPDKMHFZRK-CYBMUJFWSA-N 1 0 333.392 1.812 20 5 EDBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000608986721 449955341 /nfs/dbraw/zinc/95/53/41/449955341.db2.gz LJGLNXJVDITHTR-NSHDSACASA-N 1 0 337.376 1.826 20 5 EDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000602961052 449962378 /nfs/dbraw/zinc/96/23/78/449962378.db2.gz TVSGTADHBXCYSL-MRXNPFEDSA-N 1 0 333.392 1.670 20 5 EDBDRO C[C@](CO)([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1cccc([N+](=O)[O-])c1 ZINC000602961741 449963974 /nfs/dbraw/zinc/96/39/74/449963974.db2.gz CDAJOROXPYWECK-IXDOHACOSA-N 1 0 335.404 1.255 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000609268854 449996305 /nfs/dbraw/zinc/99/63/05/449996305.db2.gz GPQHSPOLWKGWSV-GFCCVEGCSA-N 1 0 337.376 1.444 20 5 EDBDRO Cc1nn(CCC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000609382727 450021134 /nfs/dbraw/zinc/02/11/34/450021134.db2.gz CZTXXEZNUWEADD-AWEZNQCLSA-N 1 0 335.408 1.399 20 5 EDBDRO Cc1noc(CN(C)CC[N@H+](C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000595391360 450105385 /nfs/dbraw/zinc/10/53/85/450105385.db2.gz IUWIXSJYFWNEEY-UHFFFAOYSA-N 1 0 325.413 1.349 20 5 EDBDRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000599693948 450157237 /nfs/dbraw/zinc/15/72/37/450157237.db2.gz PXNRUSNGQWMJSD-ZDUSSCGKSA-N 1 0 327.406 1.356 20 5 EDBDRO CC(C)[N@H+](C)C[C@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595461894 450158673 /nfs/dbraw/zinc/15/86/73/450158673.db2.gz QKRYGRDRLBMPJW-AWEZNQCLSA-N 1 0 325.413 1.129 20 5 EDBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599702475 450164065 /nfs/dbraw/zinc/16/40/65/450164065.db2.gz QCVWVVIMGPLPQO-JTQLQIEISA-N 1 0 328.756 1.436 20 5 EDBDRO CC[NH+]1CCN(CC(C)(C)NCc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595522122 450204904 /nfs/dbraw/zinc/20/49/04/450204904.db2.gz IOKOWXZDXOZOOV-UHFFFAOYSA-N 1 0 325.413 1.397 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)N1CCN(C)CC1 ZINC000615720662 450210937 /nfs/dbraw/zinc/21/09/37/450210937.db2.gz ISWKSBSQKJGWMN-GXDHUFHOSA-N 1 0 332.404 1.362 20 5 EDBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)C2 ZINC000597712984 450215971 /nfs/dbraw/zinc/21/59/71/450215971.db2.gz AROQNQSTWYMSAS-MRXNPFEDSA-N 1 0 336.367 1.874 20 5 EDBDRO COc1ccc(C[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)cc1[N+](=O)[O-] ZINC000610479699 450236356 /nfs/dbraw/zinc/23/63/56/450236356.db2.gz SUKZJVUMSFDHAG-CQSZACIVSA-N 1 0 349.387 1.473 20 5 EDBDRO COc1cc(CN2CC[C@@H](Cn3ccnn3)C2)c([N+](=O)[O-])cc1F ZINC000595605806 450258141 /nfs/dbraw/zinc/25/81/41/450258141.db2.gz GZPWEUYDNGWWNV-LLVKDONJSA-N 1 0 335.339 1.856 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C)C(C)(C)C1 ZINC000603373842 450269079 /nfs/dbraw/zinc/26/90/79/450269079.db2.gz HUAJTJFKJMDXCP-UHFFFAOYSA-N 1 0 327.406 1.618 20 5 EDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CSCC[NH2+]1 ZINC000603419382 450292503 /nfs/dbraw/zinc/29/25/03/450292503.db2.gz NEDKOULWVWFNGK-ZCFIWIBFSA-N 1 0 325.316 1.464 20 5 EDBDRO COc1ccc(C[NH2+]C[C@H](O)COC2CCOCC2)cc1[N+](=O)[O-] ZINC000610673429 450294214 /nfs/dbraw/zinc/29/42/14/450294214.db2.gz DBTLJXNKPAKKDJ-ZDUSSCGKSA-N 1 0 340.376 1.250 20 5 EDBDRO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000603431752 450300421 /nfs/dbraw/zinc/30/04/21/450300421.db2.gz YQYUAMQTYPIMNF-AWEZNQCLSA-N 1 0 331.376 1.483 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)C1 ZINC000618924247 450343111 /nfs/dbraw/zinc/34/31/11/450343111.db2.gz SETWJEQXTKIEFL-KRWDZBQOSA-N 1 0 346.387 1.605 20 5 EDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000619871344 450347995 /nfs/dbraw/zinc/34/79/95/450347995.db2.gz DKQDJOZDYNIGNV-INIZCTEOSA-N 1 0 347.415 1.851 20 5 EDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H](CO)Cc1ccco1)OCCO2 ZINC000610871157 450362665 /nfs/dbraw/zinc/36/26/65/450362665.db2.gz LWMNGSKORLWQQW-LBPRGKRZSA-N 1 0 348.355 1.900 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000230735264 486845703 /nfs/dbraw/zinc/84/57/03/486845703.db2.gz SWJSKGJJFNOFNC-GFCCVEGCSA-N 1 0 333.797 1.587 20 5 EDBDRO CC[NH+](CC)CCS(=O)(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000340040935 517637983 /nfs/dbraw/zinc/63/79/83/517637983.db2.gz BQAWZSKRFQGEMS-UHFFFAOYSA-N 1 0 329.422 1.698 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000237318087 536465624 /nfs/dbraw/zinc/46/56/24/536465624.db2.gz SSHAFDDESCCCMA-LLVKDONJSA-N 1 0 343.405 1.224 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000183936546 528547734 /nfs/dbraw/zinc/54/77/34/528547734.db2.gz SFDLNDBJZHKWBF-UHFFFAOYSA-N 1 0 337.420 1.936 20 5 EDBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000236728725 535033049 /nfs/dbraw/zinc/03/30/49/535033049.db2.gz UARORHXWZKBGSL-GFCCVEGCSA-N 1 0 332.364 1.423 20 5 EDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000236598454 535308304 /nfs/dbraw/zinc/30/83/04/535308304.db2.gz ZFKJWTOBWCZKBZ-MRXNPFEDSA-N 1 0 331.376 1.884 20 5 EDBDRO CCc1n[nH]c(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346202180 536001802 /nfs/dbraw/zinc/00/18/02/536001802.db2.gz SXKRSJLVXUEMTF-NQBHXWOUSA-N 1 0 335.408 1.683 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CSC[C@H]2C)c([N+](=O)[O-])c1 ZINC000352819190 536772455 /nfs/dbraw/zinc/77/24/55/536772455.db2.gz VVRCAVQMHPQJAV-SKDRFNHKSA-N 1 0 325.390 1.883 20 5 EDBDRO C[C@@H](O)C[NH+]1CCC(CN(C)c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000729921314 578599837 /nfs/dbraw/zinc/59/98/37/578599837.db2.gz UUHFPKOILXUTGU-CYBMUJFWSA-N 1 0 347.419 1.772 20 5 EDBDRO CC(C)[NH2+]C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000735892611 578936577 /nfs/dbraw/zinc/93/65/77/578936577.db2.gz LVOFHUBJVFGRKK-UHFFFAOYSA-N 1 0 332.368 1.137 20 5 EDBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736292178 578974500 /nfs/dbraw/zinc/97/45/00/578974500.db2.gz IOBMGJIVYABFOU-DGCLKSJQSA-N 1 0 343.391 1.838 20 5 EDBDRO CC(=O)N1CCN(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761522320 580058666 /nfs/dbraw/zinc/05/86/66/580058666.db2.gz OHJQMUGVMKFYEN-UHFFFAOYSA-N 1 0 340.811 1.502 20 5 EDBDRO CCOc1cc(N2CC[NH+](C[C@@H](O)C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000749282738 579720418 /nfs/dbraw/zinc/72/04/18/579720418.db2.gz PRANPERVIOWTKI-MRXNPFEDSA-N 1 0 335.404 1.886 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c1 ZINC000749685186 579734915 /nfs/dbraw/zinc/73/49/15/579734915.db2.gz BXEHZBQXVGBFMV-SJORKVTESA-N 1 0 336.388 1.898 20 5 EDBDRO Cc1nn(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749946116 579744762 /nfs/dbraw/zinc/74/47/62/579744762.db2.gz KGNIVALLFKPGKC-GFCCVEGCSA-N 1 0 346.391 1.583 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000755232141 579923330 /nfs/dbraw/zinc/92/33/30/579923330.db2.gz UVXCZWVPAOOJPH-OAHLLOKOSA-N 1 0 343.387 1.490 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C1 ZINC000758487182 579983849 /nfs/dbraw/zinc/98/38/49/579983849.db2.gz SGIANUVWIMLVPM-GFCCVEGCSA-N 1 0 325.340 1.493 20 5 EDBDRO Cc1cc(F)cc(C(=O)NCCC[NH+]2CCC(O)CC2)c1[N+](=O)[O-] ZINC000758497232 579984201 /nfs/dbraw/zinc/98/42/01/579984201.db2.gz MUKVMBJUSNNICN-UHFFFAOYSA-N 1 0 339.367 1.619 20 5 EDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000769141254 580229782 /nfs/dbraw/zinc/22/97/82/580229782.db2.gz LRNWNJSKBKKDKY-RYUDHWBXSA-N 1 0 335.360 1.337 20 5 EDBDRO C[NH+](C)CCOC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000771624395 580290526 /nfs/dbraw/zinc/29/05/26/580290526.db2.gz CCQOHYHZUYOYDO-UHFFFAOYSA-N 1 0 336.392 1.360 20 5 EDBDRO O=C(C[NH2+][C@@H](CCO)C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000771803734 580294713 /nfs/dbraw/zinc/29/47/13/580294713.db2.gz UHKUXVVQFAJLBP-JTQLQIEISA-N 1 0 337.332 1.013 20 5 EDBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@]12CCCO2 ZINC000781424827 580549270 /nfs/dbraw/zinc/54/92/70/580549270.db2.gz ZLKQNNGYGYYSPN-MWDXBVQZSA-N 1 0 336.388 1.944 20 5 EDBDRO CCCN(CC[NH+](C)C)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781682514 580554668 /nfs/dbraw/zinc/55/46/68/580554668.db2.gz RGEXMBGEWZJIEM-INIZCTEOSA-N 1 0 348.403 1.888 20 5 EDBDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000795691047 580934059 /nfs/dbraw/zinc/93/40/59/580934059.db2.gz LGXSETXERWMZLD-CJNGLKHVSA-N 1 0 345.403 1.697 20 5 EDBDRO CCc1nn(C)c(OC)c1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796288523 580950094 /nfs/dbraw/zinc/95/00/94/580950094.db2.gz QKPMGYQWLWFSOG-OAHLLOKOSA-N 1 0 334.376 1.723 20 5 EDBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000797414349 580974885 /nfs/dbraw/zinc/97/48/85/580974885.db2.gz NGANDRZFCNLNGK-INIZCTEOSA-N 1 0 331.376 1.668 20 5 EDBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000800849590 581059588 /nfs/dbraw/zinc/05/95/88/581059588.db2.gz GTGWOQHFNHFYDG-UHFFFAOYSA-N 1 0 335.408 1.532 20 5 EDBDRO COc1c[nH+]ccc1N1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000800871071 581060494 /nfs/dbraw/zinc/06/04/94/581060494.db2.gz FZDRBITWDLHZGK-UHFFFAOYSA-N 1 0 329.360 1.907 20 5 EDBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@H]1CC[NH2+]C1 ZINC000892007326 590742043 /nfs/dbraw/zinc/74/20/43/590742043.db2.gz PVHXDZJILJOWLW-JTQLQIEISA-N 1 0 343.181 1.518 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000892340724 590968412 /nfs/dbraw/zinc/96/84/12/590968412.db2.gz UOYOEYIFQAIRFQ-UHFFFAOYSA-N 1 0 345.403 1.897 20 5 EDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC000892469079 591039159 /nfs/dbraw/zinc/03/91/59/591039159.db2.gz WDNPOQDYWKLINU-NSHDSACASA-N 1 0 349.822 1.876 20 5 EDBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc4nonc4c3[N+](=O)[O-])CC2)C1 ZINC000892561696 591073711 /nfs/dbraw/zinc/07/37/11/591073711.db2.gz RIEZILBYQPSRIJ-GFCCVEGCSA-N 1 0 346.391 1.347 20 5 EDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000891538371 591113268 /nfs/dbraw/zinc/11/32/68/591113268.db2.gz WGCKRAOIZCPMCW-BLLLJJGKSA-N 1 0 334.376 1.225 20 5 EDBDRO [NH3+][C@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841161946 591231095 /nfs/dbraw/zinc/23/10/95/591231095.db2.gz RESGILXZIHZLKA-ZETCQYMHSA-N 1 0 329.154 1.922 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841209555 591345307 /nfs/dbraw/zinc/34/53/07/591345307.db2.gz XBUDACBVLMKPNA-DTWKUNHWSA-N 1 0 340.767 1.382 20 5 EDBDRO C[NH+](C)CC1(O)CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000894955650 591491231 /nfs/dbraw/zinc/49/12/31/591491231.db2.gz SMOURIAVSGQYFV-UHFFFAOYSA-N 1 0 325.394 1.197 20 5 EDBDRO C[NH+](C)CC1(O)CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000894956443 591491717 /nfs/dbraw/zinc/49/17/17/591491717.db2.gz OHXKQJMQCICOKO-UHFFFAOYSA-N 1 0 334.420 1.762 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)n1 ZINC000895101444 591587031 /nfs/dbraw/zinc/58/70/31/591587031.db2.gz LOWZNMJFJAICEN-CYBMUJFWSA-N 1 0 336.392 1.943 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCO[C@@H]3CCOC3)CC2)cn1 ZINC000897201054 591764772 /nfs/dbraw/zinc/76/47/72/591764772.db2.gz GVIDXSYZZLXCLJ-OAHLLOKOSA-N 1 0 336.392 1.354 20 5 EDBDRO CCC1([NH+]2CCC2)CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000899563175 591852643 /nfs/dbraw/zinc/85/26/43/591852643.db2.gz WRHJLYCOYRJISH-UHFFFAOYSA-N 1 0 335.408 1.658 20 5 EDBDRO O=[N+]([O-])c1ccc(Br)cc1N1CCNCC[NH2+]CC1 ZINC000900370135 591999436 /nfs/dbraw/zinc/99/94/36/591999436.db2.gz UQCVSAQYBSHWDS-UHFFFAOYSA-N 1 0 329.198 1.357 20 5 EDBDRO C[NH+]1CCC(NCc2cn(Cc3ccccc3[N+](=O)[O-])nn2)CC1 ZINC000900495997 592034592 /nfs/dbraw/zinc/03/45/92/592034592.db2.gz OIHRWZMGOQJFBJ-UHFFFAOYSA-N 1 0 330.392 1.418 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000900686980 592094860 /nfs/dbraw/zinc/09/48/60/592094860.db2.gz QMUCTUMTAKSJIJ-AWEZNQCLSA-N 1 0 348.447 1.967 20 5 EDBDRO C[C@@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000900807984 592131043 /nfs/dbraw/zinc/13/10/43/592131043.db2.gz XSRWKKDIFWAVIA-BXUZGUMPSA-N 1 0 338.383 1.027 20 5 EDBDRO CN1CCOC[C@]1(CO)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000903279739 592151295 /nfs/dbraw/zinc/15/12/95/592151295.db2.gz RVLPGNXMBUAOLM-FUHWJXTLSA-N 1 0 349.431 1.600 20 5 EDBDRO C[NH2+]CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000903572412 592225314 /nfs/dbraw/zinc/22/53/14/592225314.db2.gz OOYJQAUBJMMRGQ-UHFFFAOYSA-N 1 0 338.408 1.862 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC3(CCC3)CO2)c1 ZINC000905471602 592544789 /nfs/dbraw/zinc/54/47/89/592544789.db2.gz DLAZDYCBBQYYHF-HOCLYGCPSA-N 1 0 336.388 1.883 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@H](C4OCCO4)C3)n2)cc1 ZINC000905695140 592625393 /nfs/dbraw/zinc/62/53/93/592625393.db2.gz XKVDJIUJJPAWFF-ZDUSSCGKSA-N 1 0 345.359 1.506 20 5 EDBDRO CN(C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)[C@@H]1CC[NH2+]C1 ZINC000911788350 593008937 /nfs/dbraw/zinc/00/89/37/593008937.db2.gz PALMLQWUYBYMGT-CQSZACIVSA-N 1 0 329.360 1.274 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736569725 593019057 /nfs/dbraw/zinc/01/90/57/593019057.db2.gz ILDWFQCOTJDKMO-JTQLQIEISA-N 1 0 332.368 1.314 20 5 EDBDRO CN(CC1CC[NH+](C)CC1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000103462133 593303409 /nfs/dbraw/zinc/30/34/09/593303409.db2.gz RHPVSBOCEXKVKG-UHFFFAOYSA-N 1 0 346.387 1.422 20 5 EDBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000804535601 593422059 /nfs/dbraw/zinc/42/20/59/593422059.db2.gz NXZMZPDGMMDWAB-LBPRGKRZSA-N 1 0 336.348 1.662 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)[C@@H]2C1 ZINC000816953896 593563142 /nfs/dbraw/zinc/56/31/42/593563142.db2.gz PGTZVPLDGRLHFN-XZJROXQQSA-N 1 0 344.371 1.250 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1 ZINC000815141861 593617813 /nfs/dbraw/zinc/61/78/13/593617813.db2.gz JQBHMBHVLGULIJ-HOTGVXAUSA-N 1 0 347.375 1.049 20 5 EDBDRO C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815591753 593643296 /nfs/dbraw/zinc/64/32/96/593643296.db2.gz PQGPVQLNHKCMCE-LLVKDONJSA-N 1 0 342.421 1.253 20 5 EDBDRO CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC[NH2+]1 ZINC000817993324 593654503 /nfs/dbraw/zinc/65/45/03/593654503.db2.gz FTAPMLFZYLHPCR-UHFFFAOYSA-N 1 0 348.403 1.255 20 5 EDBDRO CCn1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000818347358 593694095 /nfs/dbraw/zinc/69/40/95/593694095.db2.gz ZDVLOOJAXNUARQ-TZMCWYRMSA-N 1 0 333.396 1.985 20 5 EDBDRO COCCOc1ncccc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818974873 593731587 /nfs/dbraw/zinc/73/15/87/593731587.db2.gz FWWSLJRBTHWLGM-MRXNPFEDSA-N 1 0 347.371 1.838 20 5 EDBDRO CC(C)C[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[NH+](C)C ZINC000820054587 593786764 /nfs/dbraw/zinc/78/67/64/593786764.db2.gz BYYBPPVFHXTNLD-JTQLQIEISA-N 1 0 334.384 1.558 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000820075562 593789024 /nfs/dbraw/zinc/78/90/24/593789024.db2.gz PMEWRTVCSGVOLF-QLPKVWCKSA-N 1 0 341.371 1.038 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000820086258 593789789 /nfs/dbraw/zinc/78/97/89/593789789.db2.gz WHGWHMFENAUKKB-NHAGDIPZSA-N 1 0 341.371 1.189 20 5 EDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821623812 593884643 /nfs/dbraw/zinc/88/46/43/593884643.db2.gz SYPUBDFESSYCIW-QWHCGFSZSA-N 1 0 343.391 1.695 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000821255252 593999556 /nfs/dbraw/zinc/99/95/56/593999556.db2.gz XDTWYQAWACTMCL-YPMHNXCESA-N 1 0 345.407 1.941 20 5 EDBDRO CC1CC[NH+](CCNc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC000824954357 594104592 /nfs/dbraw/zinc/10/45/92/594104592.db2.gz JRQKGTLCUDYOGM-UHFFFAOYSA-N 1 0 331.380 1.919 20 5 EDBDRO Cc1c(-c2noc(-c3cn(CCCC[NH3+])nn3)n2)cccc1[N+](=O)[O-] ZINC000823269081 594178495 /nfs/dbraw/zinc/17/84/95/594178495.db2.gz CNYLWCVLIHQXBM-UHFFFAOYSA-N 1 0 343.347 1.951 20 5 EDBDRO CC[N@@H+]1C[C@H](C)N(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000825453678 594187629 /nfs/dbraw/zinc/18/76/29/594187629.db2.gz WMBVVIXRBMXRLJ-QWRGUYRKSA-N 1 0 331.380 1.694 20 5 EDBDRO CC(C)C[NH+]1CCC(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825461604 594188805 /nfs/dbraw/zinc/18/88/05/594188805.db2.gz ZQYGFCGVFKVFOD-INIZCTEOSA-N 1 0 335.404 1.865 20 5 EDBDRO C[C@@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000825909743 594275695 /nfs/dbraw/zinc/27/56/95/594275695.db2.gz HDHZWGPZJFVMOL-NSHDSACASA-N 1 0 340.811 1.614 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000828014569 594321660 /nfs/dbraw/zinc/32/16/60/594321660.db2.gz MEWQMUUOROQBLD-UHFFFAOYSA-N 1 0 335.408 1.577 20 5 EDBDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])nc2)C1 ZINC000827149058 594648203 /nfs/dbraw/zinc/64/82/03/594648203.db2.gz UNTBYURSYZSICC-CQSZACIVSA-N 1 0 349.435 1.996 20 5 EDBDRO CCO[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)C[NH+](C)C ZINC000831771342 594701624 /nfs/dbraw/zinc/70/16/24/594701624.db2.gz LBCAFJDVYUVBEY-LLVKDONJSA-N 1 0 329.784 1.945 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)[C@H]3CCCOC3)CC2)cc1 ZINC000840961324 594832916 /nfs/dbraw/zinc/83/29/16/594832916.db2.gz AJCPZZKYOWFZHD-KBXCAEBGSA-N 1 0 349.431 1.941 20 5 EDBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000836948381 595016870 /nfs/dbraw/zinc/01/68/70/595016870.db2.gz QRRVJXRCJKVRFF-CQSZACIVSA-N 1 0 345.403 1.887 20 5 EDBDRO Cc1nc([N+](=O)[O-])c(-c2noc(C[C@@H]([NH3+])c3ccccc3)n2)n1C ZINC000843221340 595042361 /nfs/dbraw/zinc/04/23/61/595042361.db2.gz HXSBYXORPRDOIU-LLVKDONJSA-N 1 0 328.332 1.929 20 5 EDBDRO [NH3+]CCCCc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000843223757 595043028 /nfs/dbraw/zinc/04/30/28/595043028.db2.gz GWBCASZGJGNEKU-UHFFFAOYSA-N 1 0 333.348 1.118 20 5 EDBDRO C[C@@H]1[C@H](COC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC[N@@H+]1C ZINC000845819878 595073679 /nfs/dbraw/zinc/07/36/79/595073679.db2.gz ZVBZWYXPLAYAMX-NEPJUHHUSA-N 1 0 345.359 1.673 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843364618 595088298 /nfs/dbraw/zinc/08/82/98/595088298.db2.gz MPRJCUPWJQIEFC-ZJUUUORDSA-N 1 0 326.784 1.856 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000842484384 595119405 /nfs/dbraw/zinc/11/94/05/595119405.db2.gz HJBCAEHVBKUNAY-HNNXBMFYSA-N 1 0 339.417 1.728 20 5 EDBDRO [NH2+]=C(COC[C@H]1CCOC1)NOCc1c(F)cccc1[N+](=O)[O-] ZINC000842659754 595162137 /nfs/dbraw/zinc/16/21/37/595162137.db2.gz WGQPHNCMZZDICM-JTQLQIEISA-N 1 0 327.312 1.785 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000842745243 595186816 /nfs/dbraw/zinc/18/68/16/595186816.db2.gz HFZADPNTSUDSJW-SNVBAGLBSA-N 1 0 329.353 1.249 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000842789826 595200022 /nfs/dbraw/zinc/20/00/22/595200022.db2.gz ZCNXORLYBHGXBP-UWVGGRQHSA-N 1 0 347.824 1.914 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000842792772 595201393 /nfs/dbraw/zinc/20/13/93/595201393.db2.gz MPMKFSDGUKUTDN-GXSJLCMTSA-N 1 0 347.824 1.996 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)C2CC([NH3+])C2)c1 ZINC000842886020 595225599 /nfs/dbraw/zinc/22/55/99/595225599.db2.gz GHGPFLKAPGFJTM-UHFFFAOYSA-N 1 0 333.797 1.667 20 5 EDBDRO Cc1ccc(CNC(=O)C(=O)N(C)CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000867421673 595232465 /nfs/dbraw/zinc/23/24/65/595232465.db2.gz ZMGXPGYMRWGBEJ-UHFFFAOYSA-N 1 0 348.403 1.074 20 5 EDBDRO Cc1cccc(OC[C@H](O)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000843068439 595279755 /nfs/dbraw/zinc/27/97/55/595279755.db2.gz JSAINKXEHXEBJH-AEFFLSMTSA-N 1 0 346.383 1.966 20 5 EDBDRO Cc1ccc([C@H](O)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000843084955 595283253 /nfs/dbraw/zinc/28/32/53/595283253.db2.gz DYDAWMVMNRMGFC-DZGCQCFKSA-N 1 0 336.344 1.559 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCC[C@@H]2CC2(Cl)Cl)c1 ZINC000844278312 595315182 /nfs/dbraw/zinc/31/51/82/595315182.db2.gz OOWLBGDHCKRTGP-KOLCDFICSA-N 1 0 337.207 1.716 20 5 EDBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000846987072 595347251 /nfs/dbraw/zinc/34/72/51/595347251.db2.gz FFUNZSNINXPGEP-AWEZNQCLSA-N 1 0 349.387 1.729 20 5 EDBDRO C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848676563 595426500 /nfs/dbraw/zinc/42/65/00/595426500.db2.gz NWBSXPPCKKHNLO-VWPFQQQWSA-N 1 0 337.420 1.716 20 5 EDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108297704 595488856 /nfs/dbraw/zinc/48/88/56/595488856.db2.gz LNMBNDBIXSFWAP-ZDUSSCGKSA-N 1 0 332.404 1.875 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000857765468 595600127 /nfs/dbraw/zinc/60/01/27/595600127.db2.gz AEGGMPDDFXYXQM-UWVGGRQHSA-N 1 0 329.303 1.823 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000857767800 595601784 /nfs/dbraw/zinc/60/17/84/595601784.db2.gz HTMBZJBFWNUITP-VHSXEESVSA-N 1 0 329.303 1.762 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000850858055 595655979 /nfs/dbraw/zinc/65/59/79/595655979.db2.gz QQQRCEOOKACFTM-LLVKDONJSA-N 1 0 340.355 1.470 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000855287025 595661944 /nfs/dbraw/zinc/66/19/44/595661944.db2.gz GPOJESIYNSJBRR-ZDUSSCGKSA-N 1 0 345.403 1.934 20 5 EDBDRO O=C1N(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]2CCCCN12 ZINC000853118456 595671432 /nfs/dbraw/zinc/67/14/32/595671432.db2.gz MWNRTKBAHCEXTP-CVEARBPZSA-N 1 0 348.403 1.508 20 5 EDBDRO Cc1c(C(=O)N(C)CC2C[NH+](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000855638583 595775666 /nfs/dbraw/zinc/77/56/66/595775666.db2.gz MOYRODQVZKCKGG-UHFFFAOYSA-N 1 0 336.348 1.753 20 5 EDBDRO CO[C@@H]1CC[C@@H]([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000851847120 595945698 /nfs/dbraw/zinc/94/56/98/595945698.db2.gz ARNXUWBCBCIHIG-HZPDHXFCSA-N 1 0 333.388 1.920 20 5 EDBDRO O=C1OC[C@]2(C[NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)COCCN12 ZINC000866522573 596240212 /nfs/dbraw/zinc/24/02/12/596240212.db2.gz WPJLPBMVBPULOT-WBVHZDCISA-N 1 0 347.371 1.783 20 5 EDBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000866523518 596241058 /nfs/dbraw/zinc/24/10/58/596241058.db2.gz DRIMVJVATLLBNT-SUMWQHHRSA-N 1 0 349.387 1.727 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000862142692 596251184 /nfs/dbraw/zinc/25/11/84/596251184.db2.gz BLHVSFSWGNHGAY-LSDHHAIUSA-N 1 0 341.367 1.639 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+]CCC2(C)C)c1C ZINC000866804083 596356189 /nfs/dbraw/zinc/35/61/89/596356189.db2.gz QAPSQMPCZFQWLT-UHFFFAOYSA-N 1 0 341.433 1.974 20 5 EDBDRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000870853859 596377701 /nfs/dbraw/zinc/37/77/01/596377701.db2.gz JRXZDSCWLXWZNH-OGHNNQOOSA-N 1 0 330.388 1.371 20 5 EDBDRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000870866692 596382502 /nfs/dbraw/zinc/38/25/02/596382502.db2.gz HYTTYBFVWNGPPC-OKILXGFUSA-N 1 0 332.404 1.761 20 5 EDBDRO COc1cc(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000123415406 596421705 /nfs/dbraw/zinc/42/17/05/596421705.db2.gz IEUPJALYBHYZFD-SNVBAGLBSA-N 1 0 329.378 1.024 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000867812492 596564817 /nfs/dbraw/zinc/56/48/17/596564817.db2.gz KKBOZUWCTRSASP-GXFFZTMASA-N 1 0 343.380 1.449 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000867815008 596566207 /nfs/dbraw/zinc/56/62/07/596566207.db2.gz WPVOAEVHGUVOEJ-ZFWWWQNUSA-N 1 0 339.417 1.451 20 5 EDBDRO CN(CCC[NH+]1CCN(C)CC1)c1cc(F)c([N+](=O)[O-])cc1CO ZINC000865530883 596602549 /nfs/dbraw/zinc/60/25/49/596602549.db2.gz CQDCQXNOAVYPCN-UHFFFAOYSA-N 1 0 340.399 1.300 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(Cc2cccc3c2CC[NH2+]C3)n1 ZINC000863669914 596652662 /nfs/dbraw/zinc/65/26/62/596652662.db2.gz GOMCAQGBYSMZEW-UHFFFAOYSA-N 1 0 340.343 1.615 20 5 EDBDRO COc1cc(N[C@H]2CC[N@H+](CC(C)(C)O)C2)c([N+](=O)[O-])cc1OC ZINC000865998440 596753126 /nfs/dbraw/zinc/75/31/26/596753126.db2.gz IDGCERZAKKOJRI-NSHDSACASA-N 1 0 339.392 1.869 20 5 EDBDRO C[C@]12C[NH2+]C[C@H]1CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000872154404 596815067 /nfs/dbraw/zinc/81/50/67/596815067.db2.gz SVUOTQONLSVNFY-ZUZCIYMTSA-N 1 0 338.795 1.728 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000874001285 596895390 /nfs/dbraw/zinc/89/53/90/596895390.db2.gz CRDPKTXNTDFLEH-UHFFFAOYSA-N 1 0 348.447 1.969 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc([N+](=O)[O-])c1F ZINC000124915784 596984913 /nfs/dbraw/zinc/98/49/13/596984913.db2.gz BWMCIJAKXMLVEP-VHSXEESVSA-N 1 0 331.369 1.591 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000874468197 597093763 /nfs/dbraw/zinc/09/37/63/597093763.db2.gz FTZHMWFINCXTQC-CYBMUJFWSA-N 1 0 348.447 1.825 20 5 EDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000874833537 597190703 /nfs/dbraw/zinc/19/07/03/597190703.db2.gz OGJIWZQSSGNUFJ-RYUDHWBXSA-N 1 0 347.400 1.908 20 5 EDBDRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000876587010 597251551 /nfs/dbraw/zinc/25/15/51/597251551.db2.gz KGJNXZGBYTWERE-ZRFDWSJLSA-N 1 0 345.403 1.194 20 5 EDBDRO O=C(N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876730229 597310937 /nfs/dbraw/zinc/31/09/37/597310937.db2.gz DBZSDQJECJHILS-AEFFLSMTSA-N 1 0 344.415 1.776 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000873840544 597413544 /nfs/dbraw/zinc/41/35/44/597413544.db2.gz SVTUHUVRHSADNN-UHFFFAOYSA-N 1 0 334.420 1.531 20 5 EDBDRO COc1cc(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000877370351 597503545 /nfs/dbraw/zinc/50/35/45/597503545.db2.gz UNAOFKNGSIWXIW-NXEZZACHSA-N 1 0 347.293 1.813 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000877606542 597540940 /nfs/dbraw/zinc/54/09/40/597540940.db2.gz DPEABPLGVDJLJQ-CQSZACIVSA-N 1 0 334.420 1.763 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCO[C@@H]1C(=O)OC ZINC000877727535 597551674 /nfs/dbraw/zinc/55/16/74/597551674.db2.gz YESUSGITFRKCPH-NHYWBVRUSA-N 1 0 338.360 1.661 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881468774 597629204 /nfs/dbraw/zinc/62/92/04/597629204.db2.gz FKJQACYBVVIBLJ-CQSZACIVSA-N 1 0 348.403 1.671 20 5 EDBDRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000883472787 597763668 /nfs/dbraw/zinc/76/36/68/597763668.db2.gz JPSTWBYOJUAUMH-SNVBAGLBSA-N 1 0 333.435 1.727 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880135479 597852137 /nfs/dbraw/zinc/85/21/37/597852137.db2.gz WCBVAQRCKXYIJN-GJZGRUSLSA-N 1 0 348.403 1.710 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c([N+](=O)[O-])s1 ZINC000916660321 696711260 /nfs/dbraw/zinc/71/12/60/696711260.db2.gz KTTJKPJDYKLHND-MNOVXSKESA-N 1 0 345.446 1.537 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]2C1 ZINC000916666568 696716399 /nfs/dbraw/zinc/71/63/99/696716399.db2.gz SVFJCWRHUNIORZ-MNOVXSKESA-N 1 0 343.380 1.306 20 5 EDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000153621063 695885089 /nfs/dbraw/zinc/88/50/89/695885089.db2.gz VBOLXZVBJIXYCF-AWEZNQCLSA-N 1 0 346.387 1.420 20 5 EDBDRO CN(CCOc1ccccc1[N+](=O)[O-])CC(=O)NCc1ccco1 ZINC000917031922 696884722 /nfs/dbraw/zinc/88/47/22/696884722.db2.gz BSQKNBZSLVSLLJ-UHFFFAOYSA-N 1 0 333.344 1.815 20 5 EDBDRO C[C@H](CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C[NH+]1CCCC1 ZINC000917714368 697066390 /nfs/dbraw/zinc/06/63/90/697066390.db2.gz UUJDFUMEIWMXGR-CYBMUJFWSA-N 1 0 345.403 1.793 20 5 EDBDRO O=C(NCCN1CC[NH2+]CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000243386217 700807681 /nfs/dbraw/zinc/80/76/81/700807681.db2.gz MJNADIHURROKRT-UHFFFAOYSA-N 1 0 327.772 1.275 20 5 EDBDRO O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000996899217 703169792 /nfs/dbraw/zinc/16/97/92/703169792.db2.gz IEVOQKQVJVOXHV-FVQHAEBGSA-N 1 0 345.399 1.568 20 5 EDBDRO O=C(c1nc[nH]n1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997097089 703336461 /nfs/dbraw/zinc/33/64/61/703336461.db2.gz IURRNQBLEMIMPN-UHFFFAOYSA-N 1 0 330.348 1.107 20 5 EDBDRO Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002782634 709388438 /nfs/dbraw/zinc/38/84/38/709388438.db2.gz MTTLTKZSWKKUMK-HZPDHXFCSA-N 1 0 335.379 1.880 20 5 EDBDRO CC(C)C[C@H]1CN(C)CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000922026838 709452588 /nfs/dbraw/zinc/45/25/88/709452588.db2.gz RROYHXUVYMIZTJ-LBPRGKRZSA-N 1 0 342.421 1.341 20 5 EDBDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000331094031 282133923 /nfs/dbraw/zinc/13/39/23/282133923.db2.gz ZWPFWNJTUHRHEX-LLVKDONJSA-N 1 0 347.824 1.963 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000175060745 231378124 /nfs/dbraw/zinc/37/81/24/231378124.db2.gz FQXZZOVLPYQKPD-CABCVRRESA-N 1 0 349.435 1.964 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c1F ZINC000412165219 303979215 /nfs/dbraw/zinc/97/92/15/303979215.db2.gz WXCCUNYCMPJSOU-MFKMUULPSA-N 1 0 339.367 1.694 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)[NH+]2CCCC2)cc1C ZINC000560400446 306267492 /nfs/dbraw/zinc/26/74/92/306267492.db2.gz QUMBOUCMFQUSSW-CYBMUJFWSA-N 1 0 341.433 1.974 20 5 EDBDRO CCC([NH3+])(CC)CNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000236843520 535193575 /nfs/dbraw/zinc/19/35/75/535193575.db2.gz KKACMGWFGKLXGP-UHFFFAOYSA-N 1 0 346.391 1.731 20 5 EDBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000562786310 306308884 /nfs/dbraw/zinc/30/88/84/306308884.db2.gz BUQYMGLRZOBYBW-NEPJUHHUSA-N 1 0 329.422 1.882 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184408277 235391247 /nfs/dbraw/zinc/39/12/47/235391247.db2.gz JFNLDCKBUNVKOR-AWEZNQCLSA-N 1 0 334.420 1.659 20 5 EDBDRO CC1(C)SC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000563530478 306337489 /nfs/dbraw/zinc/33/74/89/306337489.db2.gz JAJJKWAKIGVLFG-LBPRGKRZSA-N 1 0 330.431 1.852 20 5 EDBDRO CC[NH+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000023991126 202110763 /nfs/dbraw/zinc/11/07/63/202110763.db2.gz RHLMWCGEHOWXAN-UHFFFAOYSA-N 1 0 326.784 1.824 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCC([NH2+]C2CCCC2)CC1 ZINC000132977506 138386413 /nfs/dbraw/zinc/38/64/13/138386413.db2.gz PFJJAVPXOUTFNT-UHFFFAOYSA-N 1 0 334.420 1.753 20 5 EDBDRO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186886359 236054542 /nfs/dbraw/zinc/05/45/42/236054542.db2.gz SRLGLZQEHRQVAQ-UHFFFAOYSA-N 1 0 342.355 1.484 20 5 EDBDRO C[C@@H]1C[C@H]([NH3+])CCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000565155577 306376346 /nfs/dbraw/zinc/37/63/46/306376346.db2.gz FSEQAKOLSZDMHI-NXEZZACHSA-N 1 0 336.348 1.074 20 5 EDBDRO COc1ccc(-c2ccc(CN(C)C[C@@H](O)C[NH3+])o2)c([N+](=O)[O-])c1 ZINC000415069884 304157130 /nfs/dbraw/zinc/15/71/30/304157130.db2.gz PJLWITRVTOIQQJ-NSHDSACASA-N 1 0 335.360 1.615 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](C)C2)c1C ZINC000104748524 204118479 /nfs/dbraw/zinc/11/84/79/204118479.db2.gz LLAFUMOGCUAADP-CYBMUJFWSA-N 1 0 341.433 1.784 20 5 EDBDRO C[C@@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000105090239 204131867 /nfs/dbraw/zinc/13/18/67/204131867.db2.gz YEDDITJXERFTMG-LBPRGKRZSA-N 1 0 335.408 1.789 20 5 EDBDRO C[NH+](C)CC(C)(C)CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000109249241 204280169 /nfs/dbraw/zinc/28/01/69/204280169.db2.gz MUUUGAHHTYBQON-UHFFFAOYSA-N 1 0 337.376 1.490 20 5 EDBDRO CNC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000111265285 204345546 /nfs/dbraw/zinc/34/55/46/204345546.db2.gz OQLCOZQRKGQCIO-CYBMUJFWSA-N 1 0 348.403 1.690 20 5 EDBDRO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000216056547 139020549 /nfs/dbraw/zinc/02/05/49/139020549.db2.gz QEDMMFWXEXDAGD-IUCAKERBSA-N 1 0 333.797 1.606 20 5 EDBDRO C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C[NH+]1CCCC1 ZINC000122069715 204846382 /nfs/dbraw/zinc/84/63/82/204846382.db2.gz MDLHVJHZOXJFNG-GFCCVEGCSA-N 1 0 339.367 1.961 20 5 EDBDRO Cn1cc(C(=O)N2CCC[C@H]([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000157859482 205266250 /nfs/dbraw/zinc/26/62/50/205266250.db2.gz NEUQBAGJQZGAEQ-LBPRGKRZSA-N 1 0 329.360 1.559 20 5 EDBDRO COCCC[NH+]1CCC(NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000134244088 205397563 /nfs/dbraw/zinc/39/75/63/205397563.db2.gz ACLVFYGXGLXXPE-UHFFFAOYSA-N 1 0 339.367 1.965 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000237745562 139059414 /nfs/dbraw/zinc/05/94/14/139059414.db2.gz IHGPBCDYNMMXTO-UHFFFAOYSA-N 1 0 349.412 1.971 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])cc1OC ZINC000245436951 139074670 /nfs/dbraw/zinc/07/46/70/139074670.db2.gz DNTPOJWIHDAVBS-NEPJUHHUSA-N 1 0 349.387 1.921 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000245538502 139078425 /nfs/dbraw/zinc/07/84/25/139078425.db2.gz ZDTMIZHSUJPTKY-CMPLNLGQSA-N 1 0 335.360 1.736 20 5 EDBDRO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158817426 206213040 /nfs/dbraw/zinc/21/30/40/206213040.db2.gz WWYBVNLOWXKWNK-MRXNPFEDSA-N 1 0 342.359 1.001 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000246110918 139095425 /nfs/dbraw/zinc/09/54/25/139095425.db2.gz JTIIUFGRXTZJRM-MGPQQGTHSA-N 1 0 326.422 1.512 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000246274367 139101981 /nfs/dbraw/zinc/10/19/81/139101981.db2.gz RCTMNDWTDXZSGS-DLBZAZTESA-N 1 0 349.431 1.895 20 5 EDBDRO Cc1noc(C2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)n1 ZINC000159773720 206261975 /nfs/dbraw/zinc/26/19/75/206261975.db2.gz MUGDKMKDFSVXFX-UHFFFAOYSA-N 1 0 333.348 1.328 20 5 EDBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000415293859 304187821 /nfs/dbraw/zinc/18/78/21/304187821.db2.gz DWDSGOJYMAISMQ-QMMMGPOBSA-N 1 0 326.740 1.007 20 5 EDBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC[N@@H+]1C[C@H](C)O ZINC000246958678 139128550 /nfs/dbraw/zinc/12/85/50/139128550.db2.gz SPBHBMBKPJDUMY-KBPBESRZSA-N 1 0 335.404 1.820 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000160492546 206300149 /nfs/dbraw/zinc/30/01/49/206300149.db2.gz FNRUTWYIBKOUQN-AWEZNQCLSA-N 1 0 343.387 1.895 20 5 EDBDRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000161973826 206378325 /nfs/dbraw/zinc/37/83/25/206378325.db2.gz IJRVIVJSLTZECM-UHFFFAOYSA-N 1 0 340.767 1.351 20 5 EDBDRO Cc1sc(C(=O)N2CCC(OCCC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000162212239 206391639 /nfs/dbraw/zinc/39/16/39/206391639.db2.gz IEQPFRZCBHZCGS-UHFFFAOYSA-N 1 0 327.406 1.935 20 5 EDBDRO Cc1nn(CCC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000247563777 139152393 /nfs/dbraw/zinc/15/23/93/139152393.db2.gz ZUAURBXINQXZSC-FZMZJTMJSA-N 1 0 337.424 1.739 20 5 EDBDRO CCCO[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000247531741 139151410 /nfs/dbraw/zinc/15/14/10/139151410.db2.gz OGSBJRJJFZEBQC-HUUCEWRRSA-N 1 0 326.397 1.433 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000249392807 139192499 /nfs/dbraw/zinc/19/24/99/139192499.db2.gz AGWRGTMYQHXMDD-RYUDHWBXSA-N 1 0 346.387 1.603 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261652255 139214711 /nfs/dbraw/zinc/21/47/11/139214711.db2.gz BCKHSMLBZABNHR-CQSZACIVSA-N 1 0 332.404 1.352 20 5 EDBDRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261749112 139222849 /nfs/dbraw/zinc/22/28/49/139222849.db2.gz PWYMJJFYFUBMMQ-GFCCVEGCSA-N 1 0 347.824 1.915 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000261842182 139230655 /nfs/dbraw/zinc/23/06/55/139230655.db2.gz YSDMEQAILRXALY-NSHDSACASA-N 1 0 343.405 1.353 20 5 EDBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261854549 139231585 /nfs/dbraw/zinc/23/15/85/139231585.db2.gz JTLGWKJPLBRSCR-LBPRGKRZSA-N 1 0 338.795 1.368 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000261878114 139233463 /nfs/dbraw/zinc/23/34/63/139233463.db2.gz MFFRMRXIYOFSBQ-WDEREUQCSA-N 1 0 343.405 1.209 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261941070 139238797 /nfs/dbraw/zinc/23/87/97/139238797.db2.gz MVNASAFTLJQZLZ-OAGGEKHMSA-N 1 0 335.404 1.850 20 5 EDBDRO Cc1cc(NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000415419297 250919528 /nfs/dbraw/zinc/91/95/28/250919528.db2.gz PYSIRPMMCBFINV-CQSZACIVSA-N 1 0 333.392 1.415 20 5 EDBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC[N@@H+]1C[C@@H](C)O ZINC000174594918 207035336 /nfs/dbraw/zinc/03/53/36/207035336.db2.gz KDIBOIULCAOUQD-ZIAGYGMSSA-N 1 0 335.404 1.820 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000415768527 251024567 /nfs/dbraw/zinc/02/45/67/251024567.db2.gz NSDWNSJQOOCJSN-WCQYABFASA-N 1 0 332.360 1.052 20 5 EDBDRO NC(=O)C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000175233741 207107238 /nfs/dbraw/zinc/10/72/38/207107238.db2.gz OJNPKVVKHABGRW-LBPRGKRZSA-N 1 0 334.376 1.511 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1C ZINC000262291975 139267282 /nfs/dbraw/zinc/26/72/82/139267282.db2.gz NHNPSRQBDUGLQA-ZDUSSCGKSA-N 1 0 329.422 1.863 20 5 EDBDRO C[C@]1(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000262356812 139272724 /nfs/dbraw/zinc/27/27/24/139272724.db2.gz VXVFYGHTYRKQQW-ZDUSSCGKSA-N 1 0 328.394 1.044 20 5 EDBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000262427529 139278297 /nfs/dbraw/zinc/27/82/97/139278297.db2.gz VZJICIXGBNQLCA-UHFFFAOYSA-N 1 0 331.376 1.559 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000262444849 139279567 /nfs/dbraw/zinc/27/95/67/139279567.db2.gz HFUKFCIGGBZKQS-VHSXEESVSA-N 1 0 329.378 1.022 20 5 EDBDRO [NH3+]CC[C@@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)C(F)F ZINC000418715904 251394685 /nfs/dbraw/zinc/39/46/85/251394685.db2.gz RRHZBZWAKBLDNJ-LLVKDONJSA-N 1 0 344.318 1.481 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000262557721 139286582 /nfs/dbraw/zinc/28/65/82/139286582.db2.gz UPAHTSMCJBYONQ-RYUDHWBXSA-N 1 0 325.390 1.133 20 5 EDBDRO CC[C@@H](NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000419175192 251494343 /nfs/dbraw/zinc/49/43/43/251494343.db2.gz XOTDPXFNBMBTLU-UKRRQHHQSA-N 1 0 348.403 1.420 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177222557 207308070 /nfs/dbraw/zinc/30/80/70/207308070.db2.gz GINGQDFCIWZAPI-STQMWFEESA-N 1 0 332.404 1.772 20 5 EDBDRO COc1cc(NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000420233575 251652510 /nfs/dbraw/zinc/65/25/10/251652510.db2.gz BUJPRNFJXRHIET-CYBMUJFWSA-N 1 0 348.325 1.851 20 5 EDBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000420168893 251627832 /nfs/dbraw/zinc/62/78/32/251627832.db2.gz KQWRXPYWMQUDPK-LBPRGKRZSA-N 1 0 334.376 1.089 20 5 EDBDRO COC(=O)c1cc(NC(=O)N2CCC[C@H]2C[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415596614 304235886 /nfs/dbraw/zinc/23/58/86/304235886.db2.gz IASHNIPAYMMSNE-NSHDSACASA-N 1 0 336.348 1.645 20 5 EDBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1C ZINC000262832914 139306664 /nfs/dbraw/zinc/30/66/64/139306664.db2.gz VPILEKQTXPYBPF-VXGBXAGGSA-N 1 0 329.360 1.603 20 5 EDBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261603244 285186722 /nfs/dbraw/zinc/18/67/22/285186722.db2.gz BXRCMIGDBCDOOW-CYBMUJFWSA-N 1 0 327.388 1.627 20 5 EDBDRO C[N@H+](CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000263693935 139353429 /nfs/dbraw/zinc/35/34/29/139353429.db2.gz PJLRKRYGYSSCKN-UHFFFAOYSA-N 1 0 333.797 1.621 20 5 EDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000493262436 255200086 /nfs/dbraw/zinc/20/00/86/255200086.db2.gz KOBRUPZZMUBAAA-MVGZEHJDSA-N 1 0 333.388 1.571 20 5 EDBDRO CC(C)(C)OC(=O)NCCN(CCO)Cc1csc([N+](=O)[O-])c1 ZINC000495412088 255282870 /nfs/dbraw/zinc/28/28/70/255282870.db2.gz IUEVYUTZWMOEJY-UHFFFAOYSA-N 1 0 345.421 1.975 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000118102969 221117561 /nfs/dbraw/zinc/11/75/61/221117561.db2.gz IUAQFSRBCQAETM-AWEZNQCLSA-N 1 0 334.376 1.298 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415826502 304277976 /nfs/dbraw/zinc/27/79/76/304277976.db2.gz BJEUVEURUVUDOL-ZYHUDNBSSA-N 1 0 334.376 1.339 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000119066711 221235387 /nfs/dbraw/zinc/23/53/87/221235387.db2.gz AJBBJJSJLRRDBG-IUCAKERBSA-N 1 0 347.824 1.928 20 5 EDBDRO COc1cc(N2CCN(CC(C)(C)O)CC2)c(F)cc1[N+](=O)[O-] ZINC000119565036 221349422 /nfs/dbraw/zinc/34/94/22/221349422.db2.gz RQRLXLHIQMLBGN-UHFFFAOYSA-N 1 0 327.356 1.635 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000264255530 139390576 /nfs/dbraw/zinc/39/05/76/139390576.db2.gz CSEFAKHRICBOPA-AWEZNQCLSA-N 1 0 348.403 1.983 20 5 EDBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000184381166 533583438 /nfs/dbraw/zinc/58/34/38/533583438.db2.gz JFSQRJUKVOEBBL-HNNXBMFYSA-N 1 0 348.447 1.670 20 5 EDBDRO COc1ccc(CC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000571163085 306559126 /nfs/dbraw/zinc/55/91/26/306559126.db2.gz QWBIGQCMNMRUBP-LSDHHAIUSA-N 1 0 347.415 1.994 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)c1C ZINC000268272243 139752517 /nfs/dbraw/zinc/75/25/17/139752517.db2.gz SZRGEXCFRZWHLX-SMDDNHRTSA-N 1 0 341.433 1.782 20 5 EDBDRO C[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCC[NH2+]C1 ZINC000269223328 139896895 /nfs/dbraw/zinc/89/68/95/139896895.db2.gz SZAAJXDSYKDQQI-MNOVXSKESA-N 1 0 344.371 1.967 20 5 EDBDRO CS[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H]1[NH+](C)C ZINC000270540974 140119946 /nfs/dbraw/zinc/11/99/46/140119946.db2.gz XNIXQQPTBIDNEH-RYUDHWBXSA-N 1 0 342.396 1.434 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000270640380 140139404 /nfs/dbraw/zinc/13/94/04/140139404.db2.gz JBWJHDLZSKKPDE-BXUZGUMPSA-N 1 0 336.392 1.424 20 5 EDBDRO COC(=O)c1ccc2c(c1)CN(CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000271328880 140279345 /nfs/dbraw/zinc/27/93/45/140279345.db2.gz LNCSKUUBLHPLGN-UHFFFAOYSA-N 1 0 330.344 1.636 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000271929872 140374542 /nfs/dbraw/zinc/37/45/42/140374542.db2.gz VBCPOEVGKJOKGP-GFCCVEGCSA-N 1 0 346.387 1.091 20 5 EDBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000272210457 140418619 /nfs/dbraw/zinc/41/86/19/140418619.db2.gz LRYNCSPJNDRZEU-SNVBAGLBSA-N 1 0 333.385 1.661 20 5 EDBDRO O=C(Nc1ccncc1[N+](=O)[O-])NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000272644579 140489845 /nfs/dbraw/zinc/48/98/45/140489845.db2.gz CXYQLEUIZXMJOF-DZGCQCFKSA-N 1 0 349.391 1.489 20 5 EDBDRO CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331672126 141065139 /nfs/dbraw/zinc/06/51/39/141065139.db2.gz USEQOJFSJFYHIR-MJBXVCDLSA-N 1 0 335.408 1.876 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000332331883 141163722 /nfs/dbraw/zinc/16/37/22/141163722.db2.gz SXTONBSKLWHDFP-AAEUAGOBSA-N 1 0 336.396 1.278 20 5 EDBDRO CC[C@@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C(C)(C)O ZINC000339540242 142070930 /nfs/dbraw/zinc/07/09/30/142070930.db2.gz OSIWRGWRFFYUAE-CQSZACIVSA-N 1 0 340.376 1.786 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CC[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC000262776164 292087795 /nfs/dbraw/zinc/08/77/95/292087795.db2.gz NQDVOOWFRBNXOF-NEPJUHHUSA-N 1 0 327.406 1.630 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000344738720 143005406 /nfs/dbraw/zinc/00/54/06/143005406.db2.gz ZZQDGYXLAGPRQQ-ZDUSSCGKSA-N 1 0 337.424 1.726 20 5 EDBDRO C[C@@H]1[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCC[N@@H+]1C ZINC000344989098 143035846 /nfs/dbraw/zinc/03/58/46/143035846.db2.gz VULPHMQLJRGZNF-MLGOLLRUSA-N 1 0 348.403 1.850 20 5 EDBDRO CO[C@@H]1C[C@H](CN(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)[N@H+](C)C1 ZINC000345144376 143056907 /nfs/dbraw/zinc/05/69/07/143056907.db2.gz ZDNVGKIVLFQANK-CHWSQXEVSA-N 1 0 334.376 1.887 20 5 EDBDRO C[C@@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000347185826 143292410 /nfs/dbraw/zinc/29/24/10/143292410.db2.gz YFMJCOPWMAWLBG-BZNIZROVSA-N 1 0 346.387 1.603 20 5 EDBDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347225844 143297320 /nfs/dbraw/zinc/29/73/20/143297320.db2.gz GTKXKGUCQSRDJO-CQSZACIVSA-N 1 0 340.355 1.702 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CC[NH+](C)C)C1CC1 ZINC000347416451 143318616 /nfs/dbraw/zinc/31/86/16/143318616.db2.gz IPBROLCRDRFHQF-UHFFFAOYSA-N 1 0 343.405 1.318 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000347722314 143354570 /nfs/dbraw/zinc/35/45/70/143354570.db2.gz PHMWTWOUKFHGJI-GFCCVEGCSA-N 1 0 336.392 1.259 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000351832756 143612665 /nfs/dbraw/zinc/61/26/65/143612665.db2.gz ZIVYEAXPIZBLSI-GHMZBOCLSA-N 1 0 335.360 1.104 20 5 EDBDRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000353091294 149282935 /nfs/dbraw/zinc/28/29/35/149282935.db2.gz WQJSYHTWOMAYAE-CYBMUJFWSA-N 1 0 327.406 1.499 20 5 EDBDRO COC(=O)COc1ccc(CN(C)Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000355612082 150335945 /nfs/dbraw/zinc/33/59/45/150335945.db2.gz WUCYSADEYUSEOG-UHFFFAOYSA-N 1 0 348.359 1.512 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000357549822 151064276 /nfs/dbraw/zinc/06/42/76/151064276.db2.gz PLWNXYIENKQIBE-GWCFXTLKSA-N 1 0 331.332 1.884 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)n1 ZINC000357930173 151200156 /nfs/dbraw/zinc/20/01/56/151200156.db2.gz BYCOGXXLZPKLRE-UHFFFAOYSA-N 1 0 335.339 1.459 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(-c2nc(CC3=[NH+][C@@H]4CCCC[C@@H]4N3)no2)n1 ZINC000357950925 151207999 /nfs/dbraw/zinc/20/79/99/151207999.db2.gz LGJAIUYUKMNQIT-DTORHVGOSA-N 1 0 331.336 1.234 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000360546102 152088963 /nfs/dbraw/zinc/08/89/63/152088963.db2.gz MVTMOYWGMFBAEJ-SJCJKPOMSA-N 1 0 348.403 1.616 20 5 EDBDRO COc1ccc(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000417191167 304382942 /nfs/dbraw/zinc/38/29/42/304382942.db2.gz LUQJLLWAXMASLJ-IHRRRGAJSA-N 1 0 348.403 1.872 20 5 EDBDRO CN(CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000364299110 153201000 /nfs/dbraw/zinc/20/10/00/153201000.db2.gz YSZLBTAQGARKAE-KGLIPLIRSA-N 1 0 332.404 1.774 20 5 EDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000364595802 153282229 /nfs/dbraw/zinc/28/22/29/153282229.db2.gz QKCSWKGLPDSJNQ-UHFFFAOYSA-N 1 0 347.415 1.851 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000364661813 153297549 /nfs/dbraw/zinc/29/75/49/153297549.db2.gz RYVDZGJPBFXSNX-CYBMUJFWSA-N 1 0 347.375 1.332 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000417201998 304384142 /nfs/dbraw/zinc/38/41/42/304384142.db2.gz XEODIFWUTWSPHR-OLZOCXBDSA-N 1 0 334.376 1.639 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(CC[NH+](C)C)C2CC2)c1C ZINC000347412536 292291336 /nfs/dbraw/zinc/29/13/36/292291336.db2.gz CKXIJGFUDVITCS-UHFFFAOYSA-N 1 0 341.433 1.926 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000261858247 292294464 /nfs/dbraw/zinc/29/44/64/292294464.db2.gz FONPUWQRATVMSO-RYUDHWBXSA-N 1 0 327.406 1.570 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CCN1C1CC[NH+](C)CC1 ZINC000367454473 154129296 /nfs/dbraw/zinc/12/92/96/154129296.db2.gz QJPOSZDUNTXDHR-CQSZACIVSA-N 1 0 346.431 1.835 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000368505325 154586974 /nfs/dbraw/zinc/58/69/74/154586974.db2.gz VIMZIRTVZLKTTM-QWRGUYRKSA-N 1 0 331.369 1.224 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc([N+](=O)[O-])c1F ZINC000368636933 154650715 /nfs/dbraw/zinc/65/07/15/154650715.db2.gz JDYFVLIDPGAVIA-ZYHUDNBSSA-N 1 0 343.380 1.415 20 5 EDBDRO O=C(N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000369174271 154902946 /nfs/dbraw/zinc/90/29/46/154902946.db2.gz NDYZTKXTRVNQOW-PBFPGSCMSA-N 1 0 345.403 1.392 20 5 EDBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000371825611 156124303 /nfs/dbraw/zinc/12/43/03/156124303.db2.gz WUMBBYPPAPWYEN-IAGOWNOFSA-N 1 0 335.404 1.777 20 5 EDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2[C@H]2COCC[C@H]2O)c1 ZINC000374070458 157129570 /nfs/dbraw/zinc/12/95/70/157129570.db2.gz TZTKZZROOCUMPH-BRWVUGGUSA-N 1 0 336.388 1.835 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000374101577 157142406 /nfs/dbraw/zinc/14/24/06/157142406.db2.gz KJKIRLCLTXMRRE-UHFFFAOYSA-N 1 0 335.408 1.585 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000374190683 157187779 /nfs/dbraw/zinc/18/77/79/157187779.db2.gz XDHPGBMZZIHGRO-LBPRGKRZSA-N 1 0 327.406 1.632 20 5 EDBDRO COc1ccc2c(c1)OCCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000374780857 157398270 /nfs/dbraw/zinc/39/82/70/157398270.db2.gz TURHOXVFOLIGGM-CQSZACIVSA-N 1 0 348.359 1.055 20 5 EDBDRO O=C(CCN1CCN2C(=O)OC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000378156394 158094645 /nfs/dbraw/zinc/09/46/45/158094645.db2.gz ZTYIZCYUTGZBLF-CYBMUJFWSA-N 1 0 334.332 1.060 20 5 EDBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000408051149 158250136 /nfs/dbraw/zinc/25/01/36/158250136.db2.gz IIGLLUISTXKCBC-JHJVBQTASA-N 1 0 335.408 1.806 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000408236772 158306804 /nfs/dbraw/zinc/30/68/04/158306804.db2.gz NTRMJRZDRXCPRQ-OLZOCXBDSA-N 1 0 341.433 1.864 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000364092788 162318774 /nfs/dbraw/zinc/31/87/74/162318774.db2.gz IUKDDPWHRVWVOA-JKSUJKDBSA-N 1 0 348.403 1.064 20 5 EDBDRO CC(=O)NC[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000067419675 287245690 /nfs/dbraw/zinc/24/56/90/287245690.db2.gz XFVJGJUIMORNDP-CQSZACIVSA-N 1 0 348.403 1.772 20 5 EDBDRO Cc1c(NC(=O)CC[NH2+]C(C)(C)C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000074286273 287269333 /nfs/dbraw/zinc/26/93/33/287269333.db2.gz BULGHDCAFZXZMU-UHFFFAOYSA-N 1 0 336.392 1.688 20 5 EDBDRO CN(CC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000075718825 287278526 /nfs/dbraw/zinc/27/85/26/287278526.db2.gz JJBXTKHNSJOYOA-INIZCTEOSA-N 1 0 333.392 1.220 20 5 EDBDRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000077817413 287291032 /nfs/dbraw/zinc/29/10/32/287291032.db2.gz GIPGHYGAWOIDQH-VIFPVBQESA-N 1 0 340.767 1.255 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000123304915 222252717 /nfs/dbraw/zinc/25/27/17/222252717.db2.gz YCMDKLUQYODVBU-GHMZBOCLSA-N 1 0 329.378 1.152 20 5 EDBDRO Cc1cc(=O)n(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000123365426 222264826 /nfs/dbraw/zinc/26/48/26/222264826.db2.gz WMQRWTIBYNANND-INIZCTEOSA-N 1 0 343.383 1.484 20 5 EDBDRO O=C(COc1cc(F)cc([N+](=O)[O-])c1)NC1CC[NH+](C2CC2)CC1 ZINC000135350982 287569453 /nfs/dbraw/zinc/56/94/53/287569453.db2.gz ATSVWCWJLFTPQD-UHFFFAOYSA-N 1 0 337.351 1.856 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000194686425 273004988 /nfs/dbraw/zinc/00/49/88/273004988.db2.gz SGECZPRCWDMFJX-UHFFFAOYSA-N 1 0 343.387 1.274 20 5 EDBDRO Cc1nn(Cc2ccc(C(=O)N3CC[C@H]([NH3+])C3)cc2)c(C)c1[N+](=O)[O-] ZINC000237636855 273011513 /nfs/dbraw/zinc/01/15/13/273011513.db2.gz PJXKCGKFFRCGCU-HNNXBMFYSA-N 1 0 343.387 1.630 20 5 EDBDRO C[C@H]1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000237651806 273011810 /nfs/dbraw/zinc/01/18/10/273011810.db2.gz FEUGOMDRYLKHHY-NHYWBVRUSA-N 1 0 344.375 1.375 20 5 EDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237498418 267930129 /nfs/dbraw/zinc/93/01/29/267930129.db2.gz SUCWWOIUJMOKPW-NEPJUHHUSA-N 1 0 329.360 1.732 20 5 EDBDRO COCC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C)o1 ZINC000273327253 268025778 /nfs/dbraw/zinc/02/57/78/268025778.db2.gz TUVDUSVDLQAONZ-ZIAGYGMSSA-N 1 0 338.364 1.421 20 5 EDBDRO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCOC1 ZINC000274603770 268166559 /nfs/dbraw/zinc/16/65/59/268166559.db2.gz LUCAWMBHVCCXHQ-ZJUUUORDSA-N 1 0 337.332 1.277 20 5 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325.390 1.180 20 5 EDBDRO C[C@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C[NH3+] ZINC000424008678 304924842 /nfs/dbraw/zinc/92/48/42/304924842.db2.gz HJXBHNGYHKAGEG-QWHCGFSZSA-N 1 0 343.387 1.837 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000425536215 304968213 /nfs/dbraw/zinc/96/82/13/304968213.db2.gz GXSYGYSZMKMGKD-AWEZNQCLSA-N 1 0 338.408 1.376 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428043423 305005456 /nfs/dbraw/zinc/00/54/56/305005456.db2.gz GJEOVWDNWCMTDW-OCCSQVGLSA-N 1 0 348.403 1.616 20 5 EDBDRO C[C@H]([NH3+])c1ccc(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000429523417 305031385 /nfs/dbraw/zinc/03/13/85/305031385.db2.gz ROMHPEDMABOGHZ-NSHDSACASA-N 1 0 330.344 1.093 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC([N@H+](C)CCCO)CC1 ZINC000430202791 305047465 /nfs/dbraw/zinc/04/74/65/305047465.db2.gz DETMFINHKJVABW-UHFFFAOYSA-N 1 0 337.420 1.882 20 5 EDBDRO CCCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CC[NH2+]C1 ZINC000430955021 305070517 /nfs/dbraw/zinc/07/05/17/305070517.db2.gz HFOBTWSXYPWLRA-HNNXBMFYSA-N 1 0 332.404 1.558 20 5 EDBDRO NC(=O)c1ncn([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC000432188863 305088790 /nfs/dbraw/zinc/08/87/90/305088790.db2.gz YSYNNDUYCKCLHG-GFCCVEGCSA-N 1 0 348.338 1.261 20 5 EDBDRO Cc1cc(OCC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000432197253 305088820 /nfs/dbraw/zinc/08/88/20/305088820.db2.gz XGOITRYCJCSXTF-IUODEOHRSA-N 1 0 333.388 1.881 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[NH2+][C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000436055854 305151531 /nfs/dbraw/zinc/15/15/31/305151531.db2.gz BVZULXJPHLUGDF-VXGBXAGGSA-N 1 0 336.392 1.614 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000440435396 305206674 /nfs/dbraw/zinc/20/66/74/305206674.db2.gz CBOXTQCTPOFDFH-AWEZNQCLSA-N 1 0 339.417 1.672 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000444362678 305247001 /nfs/dbraw/zinc/24/70/01/305247001.db2.gz JXGJJWOROHPHQO-ZDUSSCGKSA-N 1 0 335.404 1.820 20 5 EDBDRO C[C@@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000447815584 305286099 /nfs/dbraw/zinc/28/60/99/305286099.db2.gz GNGSWSRIRVVXNS-KDOFPFPSSA-N 1 0 348.447 1.813 20 5 EDBDRO CC(=O)N1CCN(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449080454 305305829 /nfs/dbraw/zinc/30/58/29/305305829.db2.gz WJHLSTSYFXZBON-CQSZACIVSA-N 1 0 334.420 1.280 20 5 EDBDRO Cc1c(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)cccc1[N+](=O)[O-] ZINC000449152174 305308041 /nfs/dbraw/zinc/30/80/41/305308041.db2.gz CVCJNUQIMZBRRT-NSHDSACASA-N 1 0 330.348 1.499 20 5 EDBDRO CC[C@H]([NH3+])CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000449603397 305315227 /nfs/dbraw/zinc/31/52/27/305315227.db2.gz GMGUVEQGVZWGRL-UWVGGRQHSA-N 1 0 340.405 1.114 20 5 EDBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000451511758 305350232 /nfs/dbraw/zinc/35/02/32/305350232.db2.gz QMNKFGVFTGMDNK-WXYCVUISSA-N 1 0 338.404 1.984 20 5 EDBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000451511852 305350421 /nfs/dbraw/zinc/35/04/21/305350421.db2.gz ZMENMOQMXBJDOQ-MGPQQGTHSA-N 1 0 326.397 1.334 20 5 EDBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1ccc(F)cc1[N+](=O)[O-] ZINC000452367799 305393326 /nfs/dbraw/zinc/39/33/26/305393326.db2.gz QFYFCKZBBIREHO-LBPRGKRZSA-N 1 0 325.340 1.311 20 5 EDBDRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000452373151 305394241 /nfs/dbraw/zinc/39/42/41/305394241.db2.gz GEKRLLWPBZAQPL-ZDUSSCGKSA-N 1 0 325.340 1.311 20 5 EDBDRO COc1c(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cccc1[N+](=O)[O-] ZINC000452380406 305395151 /nfs/dbraw/zinc/39/51/51/305395151.db2.gz SSOGKQFQYPORAE-GFCCVEGCSA-N 1 0 337.376 1.180 20 5 EDBDRO CNc1nc(C(=O)N2CCCC23CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC000456010336 305449844 /nfs/dbraw/zinc/44/98/44/305449844.db2.gz FYPSVDUGUHNSQN-UHFFFAOYSA-N 1 0 333.392 1.732 20 5 EDBDRO C[NH+](C)CC(C)(C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000457202329 305484464 /nfs/dbraw/zinc/48/44/64/305484464.db2.gz GZNMXSCHTMOOMC-UHFFFAOYSA-N 1 0 332.364 1.246 20 5 EDBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000487270897 305547610 /nfs/dbraw/zinc/54/76/10/305547610.db2.gz KLWOXFAGKHJAMN-VXGBXAGGSA-N 1 0 341.433 1.897 20 5 EDBDRO COc1cc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c([N+](=O)[O-])cc1O ZINC000514729793 305703613 /nfs/dbraw/zinc/70/36/13/305703613.db2.gz NHOREOJXFBQZEZ-SNVBAGLBSA-N 1 0 335.360 1.410 20 5 EDBDRO [NH3+][C@H]1CCC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000518999479 305765937 /nfs/dbraw/zinc/76/59/37/305765937.db2.gz CIWMYVSJEVBSTO-RYUDHWBXSA-N 1 0 327.406 1.228 20 5 EDBDRO COCc1cc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1F ZINC000521862919 305793831 /nfs/dbraw/zinc/79/38/31/305793831.db2.gz NIFHBQHSIMITEF-CQSZACIVSA-N 1 0 338.339 1.228 20 5 EDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000449186382 447365326 /nfs/dbraw/zinc/36/53/26/447365326.db2.gz OYBLXXNMKRDPGV-LBPRGKRZSA-N 1 0 326.418 1.940 20 5 EDBDRO O=C(N[C@@H]1CCCC[C@@H]1N1CCOCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000540953625 306042560 /nfs/dbraw/zinc/04/25/60/306042560.db2.gz HMFJZILJZLVJDZ-CVEARBPZSA-N 1 0 349.387 1.674 20 5 EDBDRO Cn1cc(C(C)(C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000547413038 306100140 /nfs/dbraw/zinc/10/01/40/306100140.db2.gz IBISGBHMCXCDGU-AWEZNQCLSA-N 1 0 334.376 1.593 20 5 EDBDRO O=C(CNCc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCCCCC1 ZINC000552064629 306174797 /nfs/dbraw/zinc/17/47/97/306174797.db2.gz CBMGMNWJUIYUKA-UHFFFAOYSA-N 1 0 334.420 1.677 20 5 EDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000449693388 447387447 /nfs/dbraw/zinc/38/74/47/447387447.db2.gz DSLDACBKZAIQSU-AAEUAGOBSA-N 1 0 338.433 1.095 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000419765858 447401098 /nfs/dbraw/zinc/40/10/98/447401098.db2.gz XUATXGPKSFSNFF-TZMCWYRMSA-N 1 0 348.403 1.024 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000046047177 441073987 /nfs/dbraw/zinc/07/39/87/441073987.db2.gz JEFAQPTZCVFWDR-OAHLLOKOSA-N 1 0 348.403 1.625 20 5 EDBDRO COc1ccc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000007612746 441060129 /nfs/dbraw/zinc/06/01/29/441060129.db2.gz YRPZNJRILQECNW-UHFFFAOYSA-N 1 0 345.421 1.470 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000080447291 441171563 /nfs/dbraw/zinc/17/15/63/441171563.db2.gz UZHOLVHXRKGFIZ-KGLIPLIRSA-N 1 0 334.420 1.830 20 5 EDBDRO C[NH+](C)CCn1cc(NC(=O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000061635915 441283045 /nfs/dbraw/zinc/28/30/45/441283045.db2.gz LKQPOLXYPSXKRJ-UHFFFAOYSA-N 1 0 333.348 1.370 20 5 EDBDRO O=C(NCCC[NH+]1CCCCC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000073002406 441285112 /nfs/dbraw/zinc/28/51/12/441285112.db2.gz GKRCAYKSTJLJDO-UHFFFAOYSA-N 1 0 349.387 1.972 20 5 EDBDRO CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000048882749 441335972 /nfs/dbraw/zinc/33/59/72/441335972.db2.gz SNHLEAPTGBQCRN-UHFFFAOYSA-N 1 0 334.376 1.442 20 5 EDBDRO COc1ccc(C(=O)NCC2([NH+](C)C)CCOCC2)cc1[N+](=O)[O-] ZINC000073133673 441298021 /nfs/dbraw/zinc/29/80/21/441298021.db2.gz JHGLCWSNAKNZOW-UHFFFAOYSA-N 1 0 337.376 1.444 20 5 EDBDRO CC(=O)N1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000026339917 441374871 /nfs/dbraw/zinc/37/48/71/441374871.db2.gz SYQWXDSJYZLSTD-UHFFFAOYSA-N 1 0 348.403 1.786 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000066047223 441501092 /nfs/dbraw/zinc/50/10/92/441501092.db2.gz FBLOSFFKXBXILR-GUTXKFCHSA-N 1 0 349.435 1.964 20 5 EDBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085786086 441450127 /nfs/dbraw/zinc/45/01/27/441450127.db2.gz ZDAXSHNTRIIHFM-ZDUSSCGKSA-N 1 0 341.433 1.698 20 5 EDBDRO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000108406171 441452824 /nfs/dbraw/zinc/45/28/24/441452824.db2.gz QWZSUTGMTHPJQB-NSHDSACASA-N 1 0 343.405 1.224 20 5 EDBDRO CC[NH+]1CCC(CNC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1 ZINC000067682974 441666301 /nfs/dbraw/zinc/66/63/01/441666301.db2.gz ROVKQFZBNZAVCU-UHFFFAOYSA-N 1 0 349.387 1.843 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000121766537 441777597 /nfs/dbraw/zinc/77/75/97/441777597.db2.gz QDCILJFSVJTOMM-WCQYABFASA-N 1 0 344.375 1.517 20 5 EDBDRO C[C@H]1CN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000415440256 447442251 /nfs/dbraw/zinc/44/22/51/447442251.db2.gz RSLATFXROHSJEB-QMMMGPOBSA-N 1 0 326.740 1.007 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1CC[NH2+]CC1 ZINC000122931305 441869487 /nfs/dbraw/zinc/86/94/87/441869487.db2.gz HELZJQKNWPIHGH-UHFFFAOYSA-N 1 0 327.406 1.435 20 5 EDBDRO C[C@@H]1C[C@@H](N(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000173749604 441833455 /nfs/dbraw/zinc/83/34/55/441833455.db2.gz KYTOSTMIECYVIU-KGLIPLIRSA-N 1 0 334.420 1.972 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000068722751 441842085 /nfs/dbraw/zinc/84/20/85/441842085.db2.gz GRAHUYGWBOSPGV-NSHDSACASA-N 1 0 327.406 1.752 20 5 EDBDRO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159971779 441850774 /nfs/dbraw/zinc/85/07/74/441850774.db2.gz ZJNGMPRMLAVETA-TXEJJXNPSA-N 1 0 342.359 1.142 20 5 EDBDRO C[N@H+](CCCn1ccnc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000124364750 441921923 /nfs/dbraw/zinc/92/19/23/441921923.db2.gz GMIQSXMBJIJEDX-OAHLLOKOSA-N 1 0 334.376 1.553 20 5 EDBDRO C[C@H](CCO)[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000093303285 441876400 /nfs/dbraw/zinc/87/64/00/441876400.db2.gz XMWUECJXNWOFQH-PBHICJAKSA-N 1 0 348.403 1.425 20 5 EDBDRO CC[NH+](CC)CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000077912528 441886787 /nfs/dbraw/zinc/88/67/87/441886787.db2.gz WMXMZPOFPCZGCY-UHFFFAOYSA-N 1 0 331.376 1.852 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000069129512 441895777 /nfs/dbraw/zinc/89/57/77/441895777.db2.gz GONRVKFABYFPLQ-NSHDSACASA-N 1 0 327.406 1.664 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000162123689 442066809 /nfs/dbraw/zinc/06/68/09/442066809.db2.gz GISXKSTURZCKNH-ZDUSSCGKSA-N 1 0 341.433 1.974 20 5 EDBDRO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)(C)C[NH+](C)C ZINC000126089384 442078523 /nfs/dbraw/zinc/07/85/23/442078523.db2.gz YGTQMJLHKYZSNO-SECBINFHSA-N 1 0 335.451 1.911 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000151826514 442126762 /nfs/dbraw/zinc/12/67/62/442126762.db2.gz KXNSJWVVMSOKAT-NEPJUHHUSA-N 1 0 346.387 1.583 20 5 EDBDRO COC1CC[NH+](CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000079998356 442105150 /nfs/dbraw/zinc/10/51/50/442105150.db2.gz AQODESFOAJEKRD-UHFFFAOYSA-N 1 0 346.387 1.917 20 5 EDBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1COc2ccccc2O1 ZINC000176193476 442188343 /nfs/dbraw/zinc/18/83/43/442188343.db2.gz IORQVNCZGSVMBN-ZDUSSCGKSA-N 1 0 332.360 1.953 20 5 EDBDRO O=C(C[N@@H+](CCCCO)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000152563897 442226353 /nfs/dbraw/zinc/22/63/53/442226353.db2.gz RIUJNRQCMKEVFB-UHFFFAOYSA-N 1 0 333.388 1.721 20 5 EDBDRO C[NH+](C)C1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000127854871 442229201 /nfs/dbraw/zinc/22/92/01/442229201.db2.gz ZLABNUYDYSFRLY-INIZCTEOSA-N 1 0 332.404 1.726 20 5 EDBDRO CCOc1ccc(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000152642321 442234005 /nfs/dbraw/zinc/23/40/05/442234005.db2.gz QOEVZVWMMHERNK-OAHLLOKOSA-N 1 0 325.365 1.036 20 5 EDBDRO COC(=O)[C@@H](C)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000153760891 442300828 /nfs/dbraw/zinc/30/08/28/442300828.db2.gz WWHKEZQYFHGZQY-JTQLQIEISA-N 1 0 335.360 1.467 20 5 EDBDRO CCc1n[nH]c(C(=O)NCc2ccccc2C[NH+](C)C)c1[N+](=O)[O-] ZINC000171397940 442345528 /nfs/dbraw/zinc/34/55/28/442345528.db2.gz ICIRJKVJTQJTMZ-UHFFFAOYSA-N 1 0 331.376 1.872 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000171628694 442364266 /nfs/dbraw/zinc/36/42/66/442364266.db2.gz XUBPCCLSEZYESV-NSHDSACASA-N 1 0 327.406 1.651 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C(C2CC2)C2CC2)cc1 ZINC000177999792 442400265 /nfs/dbraw/zinc/40/02/65/442400265.db2.gz IHYHFSPURLRYBJ-UHFFFAOYSA-N 1 0 339.417 1.651 20 5 EDBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000178004995 442400998 /nfs/dbraw/zinc/40/09/98/442400998.db2.gz YOEKKURCCGZCGL-LLVKDONJSA-N 1 0 327.406 1.651 20 5 EDBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000178006228 442401021 /nfs/dbraw/zinc/40/10/21/442401021.db2.gz ZUYJPKPRSLXPHT-NSHDSACASA-N 1 0 329.422 1.897 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H](OCCO)C3)n2)c1 ZINC000172302011 442439107 /nfs/dbraw/zinc/43/91/07/442439107.db2.gz BLSTUGIWXBLPFW-CQSZACIVSA-N 1 0 348.359 1.618 20 5 EDBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000156470870 442484539 /nfs/dbraw/zinc/48/45/39/442484539.db2.gz ZBHDJDVFGXFBAL-AWEZNQCLSA-N 1 0 348.403 1.642 20 5 EDBDRO CC[NH+](CC)CCSc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000172821240 442549518 /nfs/dbraw/zinc/54/95/18/442549518.db2.gz HWWYROZUHKDYQW-UHFFFAOYSA-N 1 0 347.462 1.937 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000178927203 442528642 /nfs/dbraw/zinc/52/86/42/442528642.db2.gz ICPJTSMWKWVTBI-LLVKDONJSA-N 1 0 327.406 1.651 20 5 EDBDRO CCOC(=O)N1CCC([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000186424374 442531660 /nfs/dbraw/zinc/53/16/60/442531660.db2.gz NFFJCVUVTAOGSU-LBPRGKRZSA-N 1 0 339.396 1.638 20 5 EDBDRO Cc1c(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000186709065 442597444 /nfs/dbraw/zinc/59/74/44/442597444.db2.gz MWXLYSXISNZAPF-PRHODGIISA-N 1 0 336.348 1.848 20 5 EDBDRO CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000179053238 442560547 /nfs/dbraw/zinc/56/05/47/442560547.db2.gz BBPULVJZITWAAB-VIFPVBQESA-N 1 0 328.166 1.791 20 5 EDBDRO Cc1c[nH+]ccc1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000192528003 442658282 /nfs/dbraw/zinc/65/82/82/442658282.db2.gz HUZWVFRZQXSQCC-UHFFFAOYSA-N 1 0 336.373 1.689 20 5 EDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000192690104 442676646 /nfs/dbraw/zinc/67/66/46/442676646.db2.gz PIUAIANHTODPFZ-LBPRGKRZSA-N 1 0 339.392 1.690 20 5 EDBDRO CC[C@H]([NH2+]C1CCN(CC(=O)NC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000192753318 442683704 /nfs/dbraw/zinc/68/37/04/442683704.db2.gz CDYVNOYDDQMTQZ-INIZCTEOSA-N 1 0 334.420 1.846 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NC2(C[NH3+])CCCC2)c1[N+](=O)[O-] ZINC000193275773 442728651 /nfs/dbraw/zinc/72/86/51/442728651.db2.gz BVQOFJPHFUXUDE-UHFFFAOYSA-N 1 0 327.406 1.761 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000193401664 442739347 /nfs/dbraw/zinc/73/93/47/442739347.db2.gz BRJACNAVVFAVPT-GWCFXTLKSA-N 1 0 327.406 1.434 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000193418461 442741091 /nfs/dbraw/zinc/74/10/91/442741091.db2.gz NQVVPNXFIZQKGO-UFBFGSQYSA-N 1 0 347.824 1.833 20 5 EDBDRO C[C@@H](CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[NH+]1CCCCC1 ZINC000182260058 442750628 /nfs/dbraw/zinc/75/06/28/442750628.db2.gz DRBGANDGMUYDHG-ZDUSSCGKSA-N 1 0 336.392 1.137 20 5 EDBDRO C[N@H+]1C[C@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000193620139 442760612 /nfs/dbraw/zinc/76/06/12/442760612.db2.gz SHSGIBYYINUWOU-PHIMTYICSA-N 1 0 338.795 1.680 20 5 EDBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193673290 442766003 /nfs/dbraw/zinc/76/60/03/442766003.db2.gz VEWIAGRGQJKCDY-UHFFFAOYSA-N 1 0 334.376 1.832 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1Sc1nnc(C2CC[NH2+]CC2)n1C1CC1 ZINC000265443768 442775305 /nfs/dbraw/zinc/77/53/05/442775305.db2.gz IXTLAKZVDYSGED-UHFFFAOYSA-N 1 0 349.420 1.873 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000193957623 442818894 /nfs/dbraw/zinc/81/88/94/442818894.db2.gz PBYVPBWPRVKINE-LBPRGKRZSA-N 1 0 327.406 1.605 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C[C@H]1CCOC1 ZINC000246979567 442826413 /nfs/dbraw/zinc/82/64/13/442826413.db2.gz JQFRJHGFIZMYBF-NWDGAFQWSA-N 1 0 337.376 1.899 20 5 EDBDRO COc1cc(C(=O)N2CCN(C[C@@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000194019180 442829943 /nfs/dbraw/zinc/82/99/43/442829943.db2.gz TXVAAYGFMPAIDT-NWDGAFQWSA-N 1 0 337.376 1.131 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000268092831 442844056 /nfs/dbraw/zinc/84/40/56/442844056.db2.gz BIWKYJVUMXXTRC-IUODEOHRSA-N 1 0 332.404 1.919 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265847249 442943089 /nfs/dbraw/zinc/94/30/89/442943089.db2.gz WRBWMGPSRMBNGD-UHFFFAOYSA-N 1 0 337.420 1.957 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)O[C@@H](CO)C1 ZINC000249265939 442962199 /nfs/dbraw/zinc/96/21/99/442962199.db2.gz ILHIKVVTMXDRSA-TZMCWYRMSA-N 1 0 337.376 1.313 20 5 EDBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)c([N+](=O)[O-])cc1F ZINC000189510619 442970687 /nfs/dbraw/zinc/97/06/87/442970687.db2.gz DKJCSEMZNIXGPF-ZYHUDNBSSA-N 1 0 325.340 1.876 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCCC[C@@H]1CCC[NH2+]1 ZINC000294829282 318623823 /nfs/dbraw/zinc/62/38/23/318623823.db2.gz LJEBOKYVYSZDBR-NSHDSACASA-N 1 0 325.340 1.761 20 5 EDBDRO CN([C@@H]1CCCN(C)C1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000266150466 443035902 /nfs/dbraw/zinc/03/59/02/443035902.db2.gz FNBPHZUVRYNRTP-SNVBAGLBSA-N 1 0 331.369 1.449 20 5 EDBDRO CN1CC[NH+](CCC(C)(C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000184221123 443002546 /nfs/dbraw/zinc/00/25/46/443002546.db2.gz IVXBDOIFKJNMAY-UHFFFAOYSA-N 1 0 348.447 1.670 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000298324351 318809506 /nfs/dbraw/zinc/80/95/06/318809506.db2.gz ZJJSCDZXWWUZJY-LBPRGKRZSA-N 1 0 334.376 1.313 20 5 EDBDRO COc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000184955824 443105719 /nfs/dbraw/zinc/10/57/19/443105719.db2.gz FKSTVVBGUPXGRH-MVWJERBFSA-N 1 0 335.360 1.421 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261742496 443167715 /nfs/dbraw/zinc/16/77/15/443167715.db2.gz OFNBEXILOKJACQ-ZDUSSCGKSA-N 1 0 339.417 1.748 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](Cc2cccc(F)c2)C2CC2)c1 ZINC000266626946 443190904 /nfs/dbraw/zinc/19/09/04/443190904.db2.gz URMQPOQMKRDZNH-INIZCTEOSA-N 1 0 334.351 1.956 20 5 EDBDRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000262414120 443193784 /nfs/dbraw/zinc/19/37/84/443193784.db2.gz DKJPFBUFGLIPAC-LLVKDONJSA-N 1 0 333.385 1.728 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@](C)(C[NH3+])C2)c1C ZINC000262487885 443197605 /nfs/dbraw/zinc/19/76/05/443197605.db2.gz KPPUXVZMKAFBGA-CQSZACIVSA-N 1 0 327.406 1.571 20 5 EDBDRO C[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000266538271 443161088 /nfs/dbraw/zinc/16/10/88/443161088.db2.gz RDBQPUOMFLGNJV-ZDUSSCGKSA-N 1 0 336.392 1.157 20 5 EDBDRO C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000262560682 443200960 /nfs/dbraw/zinc/20/09/60/443200960.db2.gz VJHQMHZUNDYYGT-NXEZZACHSA-N 1 0 347.824 1.854 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000384222697 319126391 /nfs/dbraw/zinc/12/63/91/319126391.db2.gz FJLMKRZHHDPPEU-XJKSGUPXSA-N 1 0 332.404 1.632 20 5 EDBDRO CC[NH+]1CCN(CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412285782 319229902 /nfs/dbraw/zinc/22/99/02/319229902.db2.gz HATJILWUKCCHGT-DLBZAZTESA-N 1 0 346.431 1.452 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000264305119 443259312 /nfs/dbraw/zinc/25/93/12/443259312.db2.gz RYHODTUZHNMKHQ-UHFFFAOYSA-N 1 0 345.403 1.897 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415741546 319369129 /nfs/dbraw/zinc/36/91/29/319369129.db2.gz LAZHNOSWUDDIJZ-DZGCQCFKSA-N 1 0 346.387 1.346 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415808380 319371191 /nfs/dbraw/zinc/37/11/91/319371191.db2.gz LVNVDNMIKRAWAP-NWDGAFQWSA-N 1 0 334.376 1.475 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000272493954 443338783 /nfs/dbraw/zinc/33/87/83/443338783.db2.gz SAQPAFRSJUWJTM-UHFFFAOYSA-N 1 0 348.403 1.552 20 5 EDBDRO C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000419131001 319559290 /nfs/dbraw/zinc/55/92/90/319559290.db2.gz BUJUGLODRUXWLZ-DMDPSCGWSA-N 1 0 334.376 1.016 20 5 EDBDRO C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000278508061 443350099 /nfs/dbraw/zinc/35/00/99/443350099.db2.gz RCANITHBEQMAEL-LLVKDONJSA-N 1 0 333.392 1.753 20 5 EDBDRO COc1ccc(C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000267151108 443358927 /nfs/dbraw/zinc/35/89/27/443358927.db2.gz WTVPHEZLOHJUQL-OAHLLOKOSA-N 1 0 339.417 1.771 20 5 EDBDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000269606332 443361726 /nfs/dbraw/zinc/36/17/26/443361726.db2.gz QDOGCSDOKZZQDI-CYBMUJFWSA-N 1 0 346.387 1.653 20 5 EDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000420429636 319617688 /nfs/dbraw/zinc/61/76/88/319617688.db2.gz ARTSRKDIVKEPKQ-CYBMUJFWSA-N 1 0 327.406 1.151 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420446720 319620531 /nfs/dbraw/zinc/62/05/31/319620531.db2.gz BREZVTMAPIQPEK-OLZOCXBDSA-N 1 0 339.417 1.605 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000420449747 319620938 /nfs/dbraw/zinc/62/09/38/319620938.db2.gz NZGMGCUXQAOBQP-VIFPVBQESA-N 1 0 333.797 1.669 20 5 EDBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000264909900 443472508 /nfs/dbraw/zinc/47/25/08/443472508.db2.gz NEJJTVOHYZLZDD-LBPRGKRZSA-N 1 0 331.376 1.851 20 5 EDBDRO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283039857 443504621 /nfs/dbraw/zinc/50/46/21/443504621.db2.gz IHVHLILISATNFL-AWEZNQCLSA-N 1 0 344.383 1.968 20 5 EDBDRO C[C@]1([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000273001241 443515093 /nfs/dbraw/zinc/51/50/93/443515093.db2.gz AALWNFQCRHSRPN-XKQJLSEDSA-N 1 0 336.388 1.882 20 5 EDBDRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000423820686 319817366 /nfs/dbraw/zinc/81/73/66/319817366.db2.gz CORAPDQUIDVCPT-XJKSGUPXSA-N 1 0 335.408 1.862 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272430542 443623462 /nfs/dbraw/zinc/62/34/62/443623462.db2.gz YWIDTHLXTLGCLG-PRHODGIISA-N 1 0 347.400 1.812 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000429129733 319920391 /nfs/dbraw/zinc/92/03/91/319920391.db2.gz PTWLLCFIMVWVRU-DLOVCJGASA-N 1 0 338.412 1.023 20 5 EDBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1O ZINC000275678519 443638052 /nfs/dbraw/zinc/63/80/52/443638052.db2.gz YQZABTQSAZHALE-IINYFYTJSA-N 1 0 325.340 1.765 20 5 EDBDRO C[C@@H]1CCCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H]1C[NH3+] ZINC000429172135 319923053 /nfs/dbraw/zinc/92/30/53/319923053.db2.gz AJMWYPZNCUOOHL-BXUZGUMPSA-N 1 0 349.387 1.494 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000272339045 443596514 /nfs/dbraw/zinc/59/65/14/443596514.db2.gz OFOVJKSETLHMMO-GDBMZVCRSA-N 1 0 337.420 1.589 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000272339048 443596650 /nfs/dbraw/zinc/59/66/50/443596650.db2.gz OFOVJKSETLHMMO-HOCLYGCPSA-N 1 0 337.420 1.589 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000286117586 443649463 /nfs/dbraw/zinc/64/94/63/443649463.db2.gz OHPOSOTYWMXSQG-YPMHNXCESA-N 1 0 329.360 1.508 20 5 EDBDRO CS[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@@H]1[NH+](C)C ZINC000286121060 443650725 /nfs/dbraw/zinc/65/07/25/443650725.db2.gz FGUAIFPZZDPIOC-QWHCGFSZSA-N 1 0 349.416 1.725 20 5 EDBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000440741998 320078497 /nfs/dbraw/zinc/07/84/97/320078497.db2.gz RXXDXZHUCVWLIO-SNVBAGLBSA-N 1 0 336.373 1.125 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)c1C ZINC000440805165 320080585 /nfs/dbraw/zinc/08/05/85/320080585.db2.gz DMGYHYZJBNTUCX-ZDUSSCGKSA-N 1 0 341.433 1.961 20 5 EDBDRO COc1cccc(C(=O)NCCN2CCSCC2)c1[N+](=O)[O-] ZINC000444272775 320124172 /nfs/dbraw/zinc/12/41/72/320124172.db2.gz XTSSVBRTXHOLIG-UHFFFAOYSA-N 1 0 325.390 1.382 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[NH+]2CCC(O)CC2)n1 ZINC000286204094 443667783 /nfs/dbraw/zinc/66/77/83/443667783.db2.gz FVRWYVKGEUQEAS-UHFFFAOYSA-N 1 0 338.364 1.035 20 5 EDBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000450628784 320221368 /nfs/dbraw/zinc/22/13/68/320221368.db2.gz WRWRGTNJLPPJKV-ZDUSSCGKSA-N 1 0 347.293 1.410 20 5 EDBDRO O=C1[C@H]([N@@H+]2CC[C@H](CCCO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000452115920 320242834 /nfs/dbraw/zinc/24/28/34/320242834.db2.gz FWBLTKIZFWDTON-XJKSGUPXSA-N 1 0 333.388 1.795 20 5 EDBDRO C[NH+](C)CCOCCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000487209597 320356587 /nfs/dbraw/zinc/35/65/87/320356587.db2.gz KMHHDEPQWWDURU-UHFFFAOYSA-N 1 0 331.319 1.110 20 5 EDBDRO CC(=O)N(C[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000276430242 443703393 /nfs/dbraw/zinc/70/33/93/443703393.db2.gz LUTWQJQRFZQMSF-OAHLLOKOSA-N 1 0 348.403 1.232 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000291050543 443741037 /nfs/dbraw/zinc/74/10/37/443741037.db2.gz JQPLFGSNFKDOER-UHFFFAOYSA-N 1 0 331.332 1.302 20 5 EDBDRO CC[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000288254361 443821618 /nfs/dbraw/zinc/82/16/18/443821618.db2.gz FEXCVRPCMLOSGR-LLVKDONJSA-N 1 0 325.340 1.665 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC[N@@H+](C)CC1 ZINC000298652233 443830010 /nfs/dbraw/zinc/83/00/10/443830010.db2.gz QLSYQBDFJWNGMK-UHFFFAOYSA-N 1 0 334.376 1.314 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C)c1[N+](=O)[O-] ZINC000292639594 443805381 /nfs/dbraw/zinc/80/53/81/443805381.db2.gz WQDZEXCUTMLDCI-MRXNPFEDSA-N 1 0 335.408 1.352 20 5 EDBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCN1C(=O)NC(C)(C)C1=O ZINC000285173144 443882595 /nfs/dbraw/zinc/88/25/95/443882595.db2.gz BFVRIWDBTIEKMJ-UHFFFAOYSA-N 1 0 334.376 1.400 20 5 EDBDRO CC(C)[C@]1(CO)CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000292964368 443890284 /nfs/dbraw/zinc/89/02/84/443890284.db2.gz FZFBTSWNESUQQJ-QGZVFWFLSA-N 1 0 335.404 1.924 20 5 EDBDRO Cc1c(CC(=O)N[C@H](CO)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000288547912 443915146 /nfs/dbraw/zinc/91/51/46/443915146.db2.gz PIJSXOPLKDKMIG-HNNXBMFYSA-N 1 0 335.404 1.409 20 5 EDBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000298967728 443916273 /nfs/dbraw/zinc/91/62/73/443916273.db2.gz FPVFJBFCZYSLJG-UONOGXRCSA-N 1 0 334.332 1.860 20 5 EDBDRO Cn1cc(C(C)(C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000546000856 320806951 /nfs/dbraw/zinc/80/69/51/320806951.db2.gz KLLOXUXPTFPSKM-OAHLLOKOSA-N 1 0 343.387 1.959 20 5 EDBDRO CC(C)(CO)[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000293253661 443964172 /nfs/dbraw/zinc/96/41/72/443964172.db2.gz ZNOYRFVHOQRCSR-CZUORRHYSA-N 1 0 338.404 1.721 20 5 EDBDRO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000285534856 444019454 /nfs/dbraw/zinc/01/94/54/444019454.db2.gz QDQSBWYMXADCKD-GFCCVEGCSA-N 1 0 325.369 1.344 20 5 EDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)C2)C1 ZINC000293638493 444077086 /nfs/dbraw/zinc/07/70/86/444077086.db2.gz FZXDPDWMLKPHDL-OAHLLOKOSA-N 1 0 347.400 1.767 20 5 EDBDRO CN(C)CC[N@H+](C)CCCN(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000289130783 444059984 /nfs/dbraw/zinc/05/99/84/444059984.db2.gz RMUSZKCRUMYRJY-UHFFFAOYSA-N 1 0 329.832 1.963 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCN2CCSCC2)n1 ZINC000562592543 321065825 /nfs/dbraw/zinc/06/58/25/321065825.db2.gz IQWMUDZQVYCSJL-UONOGXRCSA-N 1 0 339.465 1.913 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2cccc(O)c2)c1 ZINC000564852920 321151473 /nfs/dbraw/zinc/15/14/73/321151473.db2.gz USGJWYHSYAJFJG-INIZCTEOSA-N 1 0 332.356 1.872 20 5 EDBDRO Cn1c(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000566972970 321237744 /nfs/dbraw/zinc/23/77/44/321237744.db2.gz IMIKEHWGACOIMW-SWLSCSKDSA-N 1 0 336.392 1.292 20 5 EDBDRO C[C@@H]1CCCC[C@@H]1OCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000572082811 321413815 /nfs/dbraw/zinc/41/38/15/321413815.db2.gz GTADXMDPUOFENE-SNPRPXQTSA-N 1 0 326.397 1.337 20 5 EDBDRO COc1cc(C(=O)NCCC[C@@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1OC ZINC000294870179 444152424 /nfs/dbraw/zinc/15/24/24/444152424.db2.gz PDLAYIVCWWNACN-LBPRGKRZSA-N 1 0 337.376 1.874 20 5 EDBDRO C[C@H]1C[C@@H](N(C)c2nc3ccccn3c(=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000301431974 444171524 /nfs/dbraw/zinc/17/15/24/444171524.db2.gz QSTKHCKPZPJYSI-RYUDHWBXSA-N 1 0 331.376 1.522 20 5 EDBDRO CN(C)c1cc(F)c(C(=O)N(C)CC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000294901166 444156900 /nfs/dbraw/zinc/15/69/00/444156900.db2.gz DVXUTKPNSMPWKO-UHFFFAOYSA-N 1 0 338.383 1.966 20 5 EDBDRO COCC[NH2+]C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000573930611 321463233 /nfs/dbraw/zinc/46/32/33/321463233.db2.gz USPRTPOMPHDIFR-UHFFFAOYSA-N 1 0 335.404 1.673 20 5 EDBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000301252403 444158342 /nfs/dbraw/zinc/15/83/42/444158342.db2.gz BVCPXUYPUIAZGD-SNVBAGLBSA-N 1 0 341.799 1.643 20 5 EDBDRO CNC(=O)c1ccc(NC[C@@H](c2cnn(C)c2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000301253334 444158457 /nfs/dbraw/zinc/15/84/57/444158457.db2.gz AQFFMVFTTUYLMP-HNNXBMFYSA-N 1 0 346.391 1.403 20 5 EDBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000301252400 444158748 /nfs/dbraw/zinc/15/87/48/444158748.db2.gz BVCPXUYPUIAZGD-JTQLQIEISA-N 1 0 341.799 1.643 20 5 EDBDRO O=C(CC[NH2+]CC1(N2CCOCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000574393575 321482570 /nfs/dbraw/zinc/48/25/70/321482570.db2.gz RUJJGANWZFVCEB-UHFFFAOYSA-N 1 0 348.403 1.378 20 5 EDBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285848181 444127756 /nfs/dbraw/zinc/12/77/56/444127756.db2.gz PUZSVMJBTYBDRE-UHFFFAOYSA-N 1 0 330.348 1.359 20 5 EDBDRO Cc1cc(F)c(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000296193073 444211204 /nfs/dbraw/zinc/21/12/04/444211204.db2.gz CMCWIKQXRODRLU-JTQLQIEISA-N 1 0 340.355 1.437 20 5 EDBDRO CC[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[S@@]1=O ZINC000286017089 444177389 /nfs/dbraw/zinc/17/73/89/444177389.db2.gz PQNMCJBXYIFZDE-JFVSLFBJSA-N 1 0 326.418 1.860 20 5 EDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295512002 444187393 /nfs/dbraw/zinc/18/73/93/444187393.db2.gz QASFQNVWOZSQFP-OAHLLOKOSA-N 1 0 335.404 1.490 20 5 EDBDRO O=c1c([N+](=O)[O-])c(N2CCC([NH2+]C3CC3)CC2)nc2ccccn21 ZINC000301731472 444187611 /nfs/dbraw/zinc/18/76/11/444187611.db2.gz SRMUYWZJPLRJQL-UHFFFAOYSA-N 1 0 329.360 1.324 20 5 EDBDRO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])NC(=O)NC1=O ZINC000289709510 444193612 /nfs/dbraw/zinc/19/36/12/444193612.db2.gz OVEHYXADYRXXJH-WBMJQRKESA-N 1 0 332.360 1.547 20 5 EDBDRO Cn1cc(C[N@H+](C)[C@@H]2COC[C@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000289771684 444201234 /nfs/dbraw/zinc/20/12/34/444201234.db2.gz RIDRMYCUXPWUBM-HUUCEWRRSA-N 1 0 332.360 1.187 20 5 EDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290282258 444262709 /nfs/dbraw/zinc/26/27/09/444262709.db2.gz ZQWXDAQCOPWZTF-UONOGXRCSA-N 1 0 332.404 1.855 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000576874553 321603597 /nfs/dbraw/zinc/60/35/97/321603597.db2.gz UYULSMSTIJONAX-CYBMUJFWSA-N 1 0 329.422 1.809 20 5 EDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000302980970 444232699 /nfs/dbraw/zinc/23/26/99/444232699.db2.gz HRUUHQUWONXNNZ-TXEJJXNPSA-N 1 0 336.392 1.793 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290027873 444232939 /nfs/dbraw/zinc/23/29/39/444232939.db2.gz FUJRUZHFHTZOIF-KBPBESRZSA-N 1 0 344.415 1.877 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000304311833 444245975 /nfs/dbraw/zinc/24/59/75/444245975.db2.gz MFWTXZKTGMGKHU-GDBMZVCRSA-N 1 0 331.376 1.339 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000290712359 444314043 /nfs/dbraw/zinc/31/40/43/444314043.db2.gz GUBYCZRMZNPRMU-LLVKDONJSA-N 1 0 348.403 1.695 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CCC[NH2+]CC2)cc1C ZINC000323285016 444342501 /nfs/dbraw/zinc/34/25/01/444342501.db2.gz JXTKFMJMWMIUCG-CYBMUJFWSA-N 1 0 341.433 1.974 20 5 EDBDRO C[NH+](C)CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000297912121 444355382 /nfs/dbraw/zinc/35/53/82/444355382.db2.gz PRCZOIXXIXLAKZ-UHFFFAOYSA-N 1 0 328.756 1.255 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(CC[NH3+])CC2)cc1C ZINC000320583301 444330909 /nfs/dbraw/zinc/33/09/09/444330909.db2.gz ORXMCDAMKVPCKR-UHFFFAOYSA-N 1 0 341.433 1.961 20 5 EDBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000340629119 444464460 /nfs/dbraw/zinc/46/44/60/444464460.db2.gz FZZHETBHAZAEGJ-HNNXBMFYSA-N 1 0 332.360 1.964 20 5 EDBDRO CN(CCc1cccc([N+](=O)[O-])c1)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000337841854 444432898 /nfs/dbraw/zinc/43/28/98/444432898.db2.gz ZULDEYQFNLUUIL-UHFFFAOYSA-N 1 0 339.359 1.832 20 5 EDBDRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000580155572 322014842 /nfs/dbraw/zinc/01/48/42/322014842.db2.gz SRAINANTCJBKAP-ZDUSSCGKSA-N 1 0 343.387 1.852 20 5 EDBDRO CC(C)[C@@H](O)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000580646650 322077816 /nfs/dbraw/zinc/07/78/16/322077816.db2.gz JKPIJLYOOQDSPK-AWEZNQCLSA-N 1 0 330.406 1.365 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@@H]2C1 ZINC000580765191 322092353 /nfs/dbraw/zinc/09/23/53/322092353.db2.gz UYNKQUWGKZBMEZ-CABCVRRESA-N 1 0 331.376 1.376 20 5 EDBDRO Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000581186288 322146306 /nfs/dbraw/zinc/14/63/06/322146306.db2.gz PKNDOPCXFPVCGX-CZUORRHYSA-N 1 0 346.387 1.735 20 5 EDBDRO COc1ccc(NC(=O)CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000342127315 444522309 /nfs/dbraw/zinc/52/23/09/444522309.db2.gz MAXJQOYYRCSHKM-YUTCNCBUSA-N 1 0 348.403 1.601 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000332610644 444522480 /nfs/dbraw/zinc/52/24/80/444522480.db2.gz UJQMEDYEHMYLFT-CYBMUJFWSA-N 1 0 339.417 1.680 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000340877818 444554734 /nfs/dbraw/zinc/55/47/34/444554734.db2.gz CVRIMRCYBBFKRT-DGCLKSJQSA-N 1 0 327.406 1.474 20 5 EDBDRO CO[C@H]1C[C@@H](CN(C)c2ncnc3cccc([N+](=O)[O-])c32)[N@H+](C)C1 ZINC000343884091 444645278 /nfs/dbraw/zinc/64/52/78/444645278.db2.gz CGFMRCMBZMUAPB-RYUDHWBXSA-N 1 0 331.376 1.693 20 5 EDBDRO NC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC000342422111 444685652 /nfs/dbraw/zinc/68/56/52/444685652.db2.gz SINAUNSNAGSZKH-MRXNPFEDSA-N 1 0 346.362 1.832 20 5 EDBDRO CC(C)CCC[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000338429237 444689725 /nfs/dbraw/zinc/68/97/25/444689725.db2.gz DSMGNDDHGLIZRS-UHFFFAOYSA-N 1 0 329.422 1.899 20 5 EDBDRO CC(C)[N@H+](C)CCNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000338434980 444694349 /nfs/dbraw/zinc/69/43/49/444694349.db2.gz DTWQEYCXNBKOSS-GFCCVEGCSA-N 1 0 336.392 1.170 20 5 EDBDRO CN(C(=O)C[NH2+][C@@H]1CCC(=O)NC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000338592565 444762198 /nfs/dbraw/zinc/76/21/98/444762198.db2.gz NONSNAIBDWJBCS-CYBMUJFWSA-N 1 0 334.376 1.204 20 5 EDBDRO C[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[N@@H+]1CCCC[C@H]1C ZINC000338663809 444798661 /nfs/dbraw/zinc/79/86/61/444798661.db2.gz BTXVIPSHPYGGNB-OLZOCXBDSA-N 1 0 337.424 1.906 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000336868341 444812286 /nfs/dbraw/zinc/81/22/86/444812286.db2.gz WMGJEDIKCUAREL-JTQLQIEISA-N 1 0 331.394 1.399 20 5 EDBDRO C[NH+](C)CCN1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342933576 444951007 /nfs/dbraw/zinc/95/10/07/444951007.db2.gz ZOPFWGQPFVBFDB-UHFFFAOYSA-N 1 0 345.403 1.396 20 5 EDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000343285252 445179019 /nfs/dbraw/zinc/17/90/19/445179019.db2.gz VZNWEZDPWSUEIJ-UHFFFAOYSA-N 1 0 347.375 2.004 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000342115223 445179446 /nfs/dbraw/zinc/17/94/46/445179446.db2.gz UEAKENAMPSGSCE-GFCCVEGCSA-N 1 0 346.387 1.503 20 5 EDBDRO NC(=O)c1cccc(NCC2([NH+]3CCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000342047926 445144370 /nfs/dbraw/zinc/14/43/70/445144370.db2.gz ZWPITRAHYADOPI-UHFFFAOYSA-N 1 0 348.403 1.751 20 5 EDBDRO C[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1F ZINC000330837557 445160759 /nfs/dbraw/zinc/16/07/59/445160759.db2.gz IIZMODOZKSVBDL-YPMHNXCESA-N 1 0 338.383 1.199 20 5 EDBDRO Cc1sc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000343528584 445239211 /nfs/dbraw/zinc/23/92/11/445239211.db2.gz ALUGBYLIMDEBFQ-MNOVXSKESA-N 1 0 345.446 1.870 20 5 EDBDRO C[C@@H]1[C@@H](NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCC[N@@H+]1C ZINC000343561618 445244430 /nfs/dbraw/zinc/24/44/30/445244430.db2.gz QHIJLJZDTIKIFY-PWSUYJOCSA-N 1 0 348.359 1.102 20 5 EDBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000343562153 445244440 /nfs/dbraw/zinc/24/44/40/445244440.db2.gz YEAHLFWDOVQEOF-GFCCVEGCSA-N 1 0 349.387 1.970 20 5 EDBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000343569008 445245866 /nfs/dbraw/zinc/24/58/66/445245866.db2.gz LOMFALPVCLOWBD-GFCCVEGCSA-N 1 0 335.360 1.928 20 5 EDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000348174309 445303867 /nfs/dbraw/zinc/30/38/67/445303867.db2.gz XIMCRZHMCBKUHI-UONOGXRCSA-N 1 0 348.403 1.736 20 5 EDBDRO CCC(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000354679965 445337784 /nfs/dbraw/zinc/33/77/84/445337784.db2.gz WUCWSJGYIYNBBN-CQSZACIVSA-N 1 0 348.403 1.914 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357077312 445410771 /nfs/dbraw/zinc/41/07/71/445410771.db2.gz ARPYMJWFPIRGNM-QWHCGFSZSA-N 1 0 346.387 1.434 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@H]4C[NH2+]C[C@H]4C3)n2)cc1 ZINC000357089819 445421133 /nfs/dbraw/zinc/42/11/33/445421133.db2.gz ZCAOHRLGJJHLIA-STQMWFEESA-N 1 0 329.360 1.686 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H](CO)c1ccsc1 ZINC000352032100 445451051 /nfs/dbraw/zinc/45/10/51/445451051.db2.gz JIQBPNUXIWUTQG-QWHCGFSZSA-N 1 0 338.385 1.719 20 5 EDBDRO CCOc1ccc(C(=O)NC[C@]2(COC)CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000357276176 445520479 /nfs/dbraw/zinc/52/04/79/445520479.db2.gz UDBBEPSSUGVZBN-INIZCTEOSA-N 1 0 337.376 1.492 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000360004057 445522537 /nfs/dbraw/zinc/52/25/37/445522537.db2.gz FPIPJMHQDMYUEU-ZIAGYGMSSA-N 1 0 339.417 1.570 20 5 EDBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000360007065 445524179 /nfs/dbraw/zinc/52/41/79/445524179.db2.gz NNJNPRMXXAMRKA-GFCCVEGCSA-N 1 0 329.422 1.912 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000357322817 445547325 /nfs/dbraw/zinc/54/73/25/445547325.db2.gz JFQXIDPBHYAIGJ-UHFFFAOYSA-N 1 0 349.387 1.725 20 5 EDBDRO CC[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[N@@H+]1C[C@H](C)O ZINC000357324750 445549479 /nfs/dbraw/zinc/54/94/79/445549479.db2.gz RQGGXXUYMDKFMH-QWHCGFSZSA-N 1 0 345.403 1.819 20 5 EDBDRO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCC[C@@H]1O ZINC000352696668 445549651 /nfs/dbraw/zinc/54/96/51/445549651.db2.gz JUUSPOBQUSIYES-JQWIXIFHSA-N 1 0 337.332 1.107 20 5 EDBDRO C[C@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000356076756 445606127 /nfs/dbraw/zinc/60/61/27/445606127.db2.gz JYHQMUCALMSYHS-XJKSGUPXSA-N 1 0 335.404 1.441 20 5 EDBDRO Cc1c(C(=O)N2CCCN(CC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000362944468 445621371 /nfs/dbraw/zinc/62/13/71/445621371.db2.gz FGWRUIWFLQSLBQ-UHFFFAOYSA-N 1 0 334.420 1.613 20 5 EDBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)CC(C)C ZINC000356156165 445652360 /nfs/dbraw/zinc/65/23/60/445652360.db2.gz ZPVVXKDFJOEANI-LBPRGKRZSA-N 1 0 325.413 1.815 20 5 EDBDRO COc1cc(OCC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000363035636 445655907 /nfs/dbraw/zinc/65/59/07/445655907.db2.gz RJCMBGOHDNEEDO-QWHCGFSZSA-N 1 0 349.387 1.725 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358701651 445727026 /nfs/dbraw/zinc/72/70/26/445727026.db2.gz HMYCLRYRQZQHLZ-MLGOLLRUSA-N 1 0 336.392 1.330 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358701652 445727216 /nfs/dbraw/zinc/72/72/16/445727216.db2.gz HMYCLRYRQZQHLZ-WBMJQRKESA-N 1 0 336.392 1.330 20 5 EDBDRO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000349949176 445731317 /nfs/dbraw/zinc/73/13/17/445731317.db2.gz HYORPTWHDZSNTA-IUODEOHRSA-N 1 0 348.403 1.361 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c1 ZINC000363284164 445752271 /nfs/dbraw/zinc/75/22/71/445752271.db2.gz HVWHAMDKUOBUFQ-ZBFHGGJFSA-N 1 0 332.360 1.306 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]C[C@@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000353786687 445755714 /nfs/dbraw/zinc/75/57/14/445755714.db2.gz IGPUKGZXWKBXJZ-MRXNPFEDSA-N 1 0 338.360 1.397 20 5 EDBDRO CN(CCC[NH+]1CCCC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000350262736 445803013 /nfs/dbraw/zinc/80/30/13/445803013.db2.gz HYERLAYWLNSASY-UHFFFAOYSA-N 1 0 341.433 1.842 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363556670 445857847 /nfs/dbraw/zinc/85/78/47/445857847.db2.gz CMZRRTMGMIEVNJ-KKUMJFAQSA-N 1 0 345.399 1.916 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CCCCNC1=O ZINC000364114505 445896329 /nfs/dbraw/zinc/89/63/29/445896329.db2.gz LOSSBBGEWZUCDM-HNNXBMFYSA-N 1 0 348.403 1.832 20 5 EDBDRO CO[C@@H]1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000359050682 445911856 /nfs/dbraw/zinc/91/18/56/445911856.db2.gz DTKUBBFBVLQQJD-CHWSQXEVSA-N 1 0 336.392 1.280 20 5 EDBDRO C[NH+](C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000373099805 446027084 /nfs/dbraw/zinc/02/70/84/446027084.db2.gz PAUWRPYNOUFQCA-RHSMWYFYSA-N 1 0 343.387 1.525 20 5 EDBDRO Cc1nc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)sc1C ZINC000583559994 326095650 /nfs/dbraw/zinc/09/56/50/326095650.db2.gz QLYRAZKGCLULAV-LBPRGKRZSA-N 1 0 325.394 1.058 20 5 EDBDRO NC(=O)c1ccc(C[NH+]2CCC(n3cccn3)CC2)c([N+](=O)[O-])c1 ZINC000365162618 446060824 /nfs/dbraw/zinc/06/08/24/446060824.db2.gz MUFCEHXDSWGPLP-UHFFFAOYSA-N 1 0 329.360 1.727 20 5 EDBDRO Cc1cc(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)ccc1[N+](=O)[O-] ZINC000373171696 446072830 /nfs/dbraw/zinc/07/28/30/446072830.db2.gz AYLXFWYTDHRFLE-CNDDSTCGSA-N 1 0 325.390 1.546 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]12 ZINC000351531267 446131647 /nfs/dbraw/zinc/13/16/47/446131647.db2.gz DAQLHFJTDCZIAU-KGYLQXTDSA-N 1 0 347.371 1.104 20 5 EDBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000373337355 446170123 /nfs/dbraw/zinc/17/01/23/446170123.db2.gz BKITYJKLVYPNQR-LBPRGKRZSA-N 1 0 348.403 1.502 20 5 EDBDRO CC(C)(C)OC[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365513042 446236956 /nfs/dbraw/zinc/23/69/56/446236956.db2.gz NQEFUQPBGREBPI-ZDUSSCGKSA-N 1 0 326.397 1.604 20 5 EDBDRO CCc1ccc([C@H](CO)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000359538348 446280519 /nfs/dbraw/zinc/28/05/19/446280519.db2.gz MTNGNXQPYYYHIN-CVEARBPZSA-N 1 0 334.376 1.038 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000365636252 446282334 /nfs/dbraw/zinc/28/23/34/446282334.db2.gz RJHMYOKTBUVKAC-NEPJUHHUSA-N 1 0 343.387 1.962 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[NH+]2CCC1CC2 ZINC000373730064 446316071 /nfs/dbraw/zinc/31/60/71/446316071.db2.gz UPPMHJYLELYPJE-UHFFFAOYSA-N 1 0 333.344 1.286 20 5 EDBDRO Cc1nnc([C@@H]2CC23CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC3)o1 ZINC000365840299 446365896 /nfs/dbraw/zinc/36/58/96/446365896.db2.gz MJYJFZBYISUCAI-LBPRGKRZSA-N 1 0 332.364 1.752 20 5 EDBDRO COC[C@]1(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000420258529 446436303 /nfs/dbraw/zinc/43/63/03/446436303.db2.gz XWNIREGGFGDDLD-GFCCVEGCSA-N 1 0 349.434 1.240 20 5 EDBDRO CCc1cc(NC[C@@H]2C[NH2+]C[C@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420259122 446436447 /nfs/dbraw/zinc/43/64/47/446436447.db2.gz YKKCJOZMKXIBOV-SWLSCSKDSA-N 1 0 343.387 1.028 20 5 EDBDRO [NH3+]CC[C@@H](Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])C(F)F ZINC000420264264 446438892 /nfs/dbraw/zinc/43/88/92/446438892.db2.gz OYWIOFNDWMCQES-GFCCVEGCSA-N 1 0 344.362 1.821 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC([C@@H]2CCCOC2)CC1 ZINC000374848249 446416857 /nfs/dbraw/zinc/41/68/57/446416857.db2.gz VHJBFOYYLLTBIO-OAHLLOKOSA-N 1 0 335.404 1.895 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370758257 446418991 /nfs/dbraw/zinc/41/89/91/446418991.db2.gz JZKILMRFCZFQDJ-CJNGLKHVSA-N 1 0 348.403 1.529 20 5 EDBDRO Nc1ccc(C(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000370760836 446421269 /nfs/dbraw/zinc/42/12/69/446421269.db2.gz UCDAJQFOJMSPQM-DZGCQCFKSA-N 1 0 348.403 1.408 20 5 EDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370761352 446421424 /nfs/dbraw/zinc/42/14/24/446421424.db2.gz WHDQFPUVEOTWRR-CVEARBPZSA-N 1 0 347.415 1.754 20 5 EDBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1[nH]ncc1[N+](=O)[O-] ZINC000423517017 446559286 /nfs/dbraw/zinc/55/92/86/446559286.db2.gz UIPULBICURQTHQ-VXGBXAGGSA-N 1 0 333.323 1.333 20 5 EDBDRO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418376146 446520098 /nfs/dbraw/zinc/52/00/98/446520098.db2.gz YIHAUYUYKRCQIE-CQSZACIVSA-N 1 0 347.419 1.569 20 5 EDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)c1 ZINC000420440351 446614352 /nfs/dbraw/zinc/61/43/52/446614352.db2.gz HAPITERLFPKZOQ-ZDUSSCGKSA-N 1 0 327.406 1.546 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420408693 446581679 /nfs/dbraw/zinc/58/16/79/446581679.db2.gz WJKNAXSWEBUGHL-TZMCWYRMSA-N 1 0 341.433 1.669 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NC(C)(C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000423675817 446636576 /nfs/dbraw/zinc/63/65/76/446636576.db2.gz IPRWLMLVULYHSS-UHFFFAOYSA-N 1 0 336.392 1.267 20 5 EDBDRO COc1cc(C(=O)N2CCC3(C[NH+](C)C3)C2)c([N+](=O)[O-])cc1OC ZINC000619251884 450434455 /nfs/dbraw/zinc/43/44/55/450434455.db2.gz UROPQVWOLKQCDS-UHFFFAOYSA-N 1 0 335.360 1.390 20 5 EDBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420448890 446625981 /nfs/dbraw/zinc/62/59/81/446625981.db2.gz JSOIWOZIYVBWNT-CYBMUJFWSA-N 1 0 327.406 1.151 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000420451743 446627007 /nfs/dbraw/zinc/62/70/07/446627007.db2.gz VZZVIOGIIKNQMF-LBPRGKRZSA-N 1 0 327.406 1.714 20 5 EDBDRO C[C@H](NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000418774639 446692489 /nfs/dbraw/zinc/69/24/89/446692489.db2.gz DHKBJTHJTGLWAB-AAEUAGOBSA-N 1 0 334.376 1.030 20 5 EDBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[NH+](CC2CCOCC2)CC1 ZINC000420603307 446698513 /nfs/dbraw/zinc/69/85/13/446698513.db2.gz PRVCZCUJEIKTNG-UHFFFAOYSA-N 1 0 348.403 1.242 20 5 EDBDRO COc1cc(C[NH2+][C@H]2CCc3nc[nH]c3C2)c([N+](=O)[O-])cc1OC ZINC000368230262 446724733 /nfs/dbraw/zinc/72/47/33/446724733.db2.gz WEUGTCSOVAFTQP-NSHDSACASA-N 1 0 332.360 1.982 20 5 EDBDRO Cc1c(NC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000454087845 446773548 /nfs/dbraw/zinc/77/35/48/446773548.db2.gz FWTIUMJITWFUGP-UHFFFAOYSA-N 1 0 348.403 1.832 20 5 EDBDRO Cc1nnc([C@H]2CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000412027001 446790338 /nfs/dbraw/zinc/79/03/38/446790338.db2.gz LBNBKSALWULPKR-GXTWGEPZSA-N 1 0 347.375 1.251 20 5 EDBDRO C[C@@H]1CN(C(=O)CCCn2c3ccc([N+](=O)[O-])cc3oc2=O)C[C@@H]1[NH3+] ZINC000423953125 446796620 /nfs/dbraw/zinc/79/66/20/446796620.db2.gz NHDFDFGBSSVTPB-PWSUYJOCSA-N 1 0 348.359 1.089 20 5 EDBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000423979060 446804110 /nfs/dbraw/zinc/80/41/10/446804110.db2.gz OYVHQZDKKUHYEK-CYBMUJFWSA-N 1 0 331.376 1.629 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000371507877 446902651 /nfs/dbraw/zinc/90/26/51/446902651.db2.gz DVZDFKJRCPBFQS-SWLSCSKDSA-N 1 0 346.387 1.394 20 5 EDBDRO C[C@@H]1C[C@@H](CO)C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000420948023 446919857 /nfs/dbraw/zinc/91/98/57/446919857.db2.gz ULZHOSBJUHOALF-CHWSQXEVSA-N 1 0 349.387 1.843 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@](O)(Cc3ccc(F)cc3)C2)n1 ZINC000420973773 446946045 /nfs/dbraw/zinc/94/60/45/446946045.db2.gz CTOJMIGGSOLYGE-MRXNPFEDSA-N 1 0 334.351 1.610 20 5 EDBDRO Cc1c(CC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000368570618 446948559 /nfs/dbraw/zinc/94/85/59/446948559.db2.gz XFSBLSPBXOSEDD-DLBZAZTESA-N 1 0 347.415 1.503 20 5 EDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CCOCC2)C1=O ZINC000375662677 446958478 /nfs/dbraw/zinc/95/84/78/446958478.db2.gz ZTUSXXQFGVLMIC-KRWDZBQOSA-N 1 0 347.415 1.849 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C[C@H]21 ZINC000368595586 446968172 /nfs/dbraw/zinc/96/81/72/446968172.db2.gz SWSIEKVZBUOEKH-XHDPSFHLSA-N 1 0 337.351 1.665 20 5 EDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000368686747 447037339 /nfs/dbraw/zinc/03/73/39/447037339.db2.gz YKNCASNLLRBTBB-UAEOLWBESA-N 1 0 345.399 1.666 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000419267197 447043815 /nfs/dbraw/zinc/04/38/15/447043815.db2.gz IJNOCUILHNREMS-XQQFMLRXSA-N 1 0 348.403 1.289 20 5 EDBDRO O=C(CC[N@@H+]1CC[C@@H](n2cncn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000372466731 447067786 /nfs/dbraw/zinc/06/77/86/447067786.db2.gz WYXPFGUTJDQVPJ-GFCCVEGCSA-N 1 0 330.348 1.462 20 5 EDBDRO CS[C@H]1CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000425356553 447124749 /nfs/dbraw/zinc/12/47/49/447124749.db2.gz PMOIMDVJSBFKNL-STQMWFEESA-N 1 0 345.446 1.357 20 5 EDBDRO O=C1NCCN1[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000368804035 447118723 /nfs/dbraw/zinc/11/87/23/447118723.db2.gz ZBPNUBAZUAPVHV-AWEZNQCLSA-N 1 0 334.376 1.463 20 5 EDBDRO COc1cc(CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000444675540 447118763 /nfs/dbraw/zinc/11/87/63/447118763.db2.gz RNXNZXHPESCKQB-ZDUSSCGKSA-N 1 0 337.420 1.880 20 5 EDBDRO CN1CCC[C@@]2(CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)C1=O ZINC000372493753 447086955 /nfs/dbraw/zinc/08/69/55/447086955.db2.gz IJUQLAPPRKQUMW-RDJZCZTQSA-N 1 0 333.388 1.573 20 5 EDBDRO COCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000425283977 447095925 /nfs/dbraw/zinc/09/59/25/447095925.db2.gz UUDRUTCBSODKFP-UHFFFAOYSA-N 1 0 326.372 1.863 20 5 EDBDRO COc1cc(C[NH2+][C@@H]2CCc3nnnn3CC2)c([N+](=O)[O-])cc1OC ZINC000421397688 447150676 /nfs/dbraw/zinc/15/06/76/447150676.db2.gz MMSLMOIVYGJQSA-LLVKDONJSA-N 1 0 348.363 1.093 20 5 EDBDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000372542849 447126031 /nfs/dbraw/zinc/12/60/31/447126031.db2.gz CHZLSEVXWFLDSS-UHFFFAOYSA-N 1 0 339.367 1.653 20 5 EDBDRO CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000368931724 447209862 /nfs/dbraw/zinc/20/98/62/447209862.db2.gz PEHJXDGHOIOEMA-UHFFFAOYSA-N 1 0 344.375 1.314 20 5 EDBDRO C[NH+]1CCC(CCO)(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000413672459 447221843 /nfs/dbraw/zinc/22/18/43/447221843.db2.gz AFTBXXMRBAAMFS-JKSUJKDBSA-N 1 0 347.415 1.661 20 5 EDBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455842797 447240112 /nfs/dbraw/zinc/24/01/12/447240112.db2.gz JZBWQCFDKZLIPR-NEPJUHHUSA-N 1 0 333.392 1.730 20 5 EDBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000377701794 447304236 /nfs/dbraw/zinc/30/42/36/447304236.db2.gz KZSUJABMQSNUKA-CZUORRHYSA-N 1 0 344.419 2.527 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000415510727 447489159 /nfs/dbraw/zinc/48/91/59/447489159.db2.gz ZGQABPKLCLPNHG-ZDUSSCGKSA-N 1 0 349.391 1.115 20 5 EDBDRO C[NH+](C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000457207188 447541798 /nfs/dbraw/zinc/54/17/98/447541798.db2.gz BDJDLABJLPJUCQ-UHFFFAOYSA-N 1 0 331.376 1.851 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420152697 447641127 /nfs/dbraw/zinc/64/11/27/447641127.db2.gz PKHSSFLLILRJCQ-CQSZACIVSA-N 1 0 332.404 1.551 20 5 EDBDRO O=C(NC1CC1)c1ccc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000420198700 447666442 /nfs/dbraw/zinc/66/64/42/447666442.db2.gz LJVZFTWRVUHNOD-KGLIPLIRSA-N 1 0 330.388 1.818 20 5 EDBDRO O=c1c(Cl)c(NC[C@@H]2CC[NH2+]C2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000420232180 447680577 /nfs/dbraw/zinc/68/05/77/447680577.db2.gz TZDSVWXUALDVCE-SNVBAGLBSA-N 1 0 349.778 1.816 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@](C)(CN)C1CC1 ZINC000430552923 447776714 /nfs/dbraw/zinc/77/67/14/447776714.db2.gz OCDVSRPBOFXZSP-MRXNPFEDSA-N 1 0 336.392 1.649 20 5 EDBDRO CNc1nccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000569865996 447908170 /nfs/dbraw/zinc/90/81/70/447908170.db2.gz YWOUYXUPUCICKZ-SGMGOOAPSA-N 1 0 347.419 1.834 20 5 EDBDRO COc1ccc(CC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000524312919 447924788 /nfs/dbraw/zinc/92/47/88/447924788.db2.gz QXUKGZQIGZFQCU-KGLIPLIRSA-N 1 0 333.388 1.889 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000525086516 447967043 /nfs/dbraw/zinc/96/70/43/447967043.db2.gz AIFIHLVLJVJYNO-NEPJUHHUSA-N 1 0 342.421 1.389 20 5 EDBDRO CCc1ccc(S(=O)(=O)NC(C)(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000570842721 448074303 /nfs/dbraw/zinc/07/43/03/448074303.db2.gz RFJFKCVAKWMCMT-UHFFFAOYSA-N 1 0 329.422 1.953 20 5 EDBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000571579917 448174553 /nfs/dbraw/zinc/17/45/53/448174553.db2.gz LXGCIPUOUGNZRI-UHFFFAOYSA-N 1 0 335.408 1.980 20 5 EDBDRO COc1cc(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000571640542 448184789 /nfs/dbraw/zinc/18/47/89/448184789.db2.gz CRCCDDDNTIIFCI-QLJPJBMISA-N 1 0 337.376 1.669 20 5 EDBDRO CC[NH+]1CCN([C@H]2CCN(c3c(OC)cccc3[N+](=O)[O-])C2)CC1 ZINC000514949045 448230984 /nfs/dbraw/zinc/23/09/84/448230984.db2.gz ANWVCXSBTRTENL-AWEZNQCLSA-N 1 0 334.420 1.820 20 5 EDBDRO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000591304167 448314869 /nfs/dbraw/zinc/31/48/69/448314869.db2.gz QWQAKDFWQGIFST-WCQYABFASA-N 1 0 334.376 1.428 20 5 EDBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H](C)C1 ZINC000577538759 448324513 /nfs/dbraw/zinc/32/45/13/448324513.db2.gz POXQFEVECPSOCU-PHIMTYICSA-N 1 0 335.360 1.878 20 5 EDBDRO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C2=O ZINC000577629864 448347244 /nfs/dbraw/zinc/34/72/44/448347244.db2.gz SHBZKQZZRBROLL-LRDDRELGSA-N 1 0 332.360 1.534 20 5 EDBDRO CN(C)C1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000515832302 448354744 /nfs/dbraw/zinc/35/47/44/448354744.db2.gz RDFVNDLSNREGNM-HNNXBMFYSA-N 1 0 337.420 1.799 20 5 EDBDRO CC(C)[NH+](CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)C(C)C ZINC000515578972 448329844 /nfs/dbraw/zinc/32/98/44/448329844.db2.gz FQGWCWQJTTUKMG-UHFFFAOYSA-N 1 0 344.437 1.773 20 5 EDBDRO Cc1oc2ccccc2c1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000516646895 448455202 /nfs/dbraw/zinc/45/52/02/448455202.db2.gz ZGSSPZLEKXZGME-ZDUSSCGKSA-N 1 0 330.344 1.997 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCN2CCCc3ccccc32)c1 ZINC000591728299 448475227 /nfs/dbraw/zinc/47/52/27/448475227.db2.gz ISTRAWUFDXFMKN-MRXNPFEDSA-N 1 0 345.403 1.195 20 5 EDBDRO CC(C)Oc1ccccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591727548 448473508 /nfs/dbraw/zinc/47/35/08/448473508.db2.gz INBBBOHMDBVMDH-HNNXBMFYSA-N 1 0 334.376 1.729 20 5 EDBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3ncc([N+](=O)[O-])cc3F)C2)CC1 ZINC000573069504 448533888 /nfs/dbraw/zinc/53/38/88/448533888.db2.gz XLTOMOUENAXJFJ-CYBMUJFWSA-N 1 0 337.399 1.734 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000584505757 448548359 /nfs/dbraw/zinc/54/83/59/448548359.db2.gz JBKSDOYEWQPZFI-LLVKDONJSA-N 1 0 341.433 1.832 20 5 EDBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000517541900 448590912 /nfs/dbraw/zinc/59/09/12/448590912.db2.gz NAYLEMPBEKGOFL-QWHCGFSZSA-N 1 0 336.392 1.191 20 5 EDBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])CC(C)C ZINC000584663575 448591401 /nfs/dbraw/zinc/59/14/01/448591401.db2.gz GHJTXTXFJCYTAR-GFCCVEGCSA-N 1 0 337.424 2.058 20 5 EDBDRO CC1(c2ccccc2)CC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000566968280 448593961 /nfs/dbraw/zinc/59/39/61/448593961.db2.gz MKJCGOYHTZNBEK-ARWYELJZSA-N 1 0 330.388 1.862 20 5 EDBDRO CC1(c2ccccc2)CC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000566968282 448594026 /nfs/dbraw/zinc/59/40/26/448594026.db2.gz MKJCGOYHTZNBEK-WIHSUSGWSA-N 1 0 330.388 1.862 20 5 EDBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000584791671 448634842 /nfs/dbraw/zinc/63/48/42/448634842.db2.gz DVIBRADBMLRVRO-ZDUSSCGKSA-N 1 0 329.360 1.570 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)CCC[NH+](C)C)c1F ZINC000573812320 448721037 /nfs/dbraw/zinc/72/10/37/448721037.db2.gz HSVOQUDQJREGSI-UHFFFAOYSA-N 1 0 327.356 1.695 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000592255370 448765021 /nfs/dbraw/zinc/76/50/21/448765021.db2.gz IRCDMVZEGREDKA-KGLIPLIRSA-N 1 0 335.408 1.338 20 5 EDBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000573891164 448736721 /nfs/dbraw/zinc/73/67/21/448736721.db2.gz BJEWHIIEOAKFND-JTQLQIEISA-N 1 0 325.340 1.814 20 5 EDBDRO CC(C)(CO)[NH+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000586767491 448804350 /nfs/dbraw/zinc/80/43/50/448804350.db2.gz AWTAVXJTKIGNSH-UHFFFAOYSA-N 1 0 329.347 1.762 20 5 EDBDRO O=[N+]([O-])c1cc(-c2nc([C@H]3CCC[NH2+]3)no2)ccc1-n1cncn1 ZINC000592356916 448804582 /nfs/dbraw/zinc/80/45/82/448804582.db2.gz KRXAMUJKSRTPNZ-SNVBAGLBSA-N 1 0 327.304 1.650 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000592370593 448809134 /nfs/dbraw/zinc/80/91/34/448809134.db2.gz YLVLEAWRSHHJSK-CMPLNLGQSA-N 1 0 343.405 1.351 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000592370541 448809174 /nfs/dbraw/zinc/80/91/74/448809174.db2.gz OAQYKTPJPHLFKG-ABAIWWIYSA-N 1 0 341.433 1.905 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000592379166 448813088 /nfs/dbraw/zinc/81/30/88/448813088.db2.gz IOANYJAMZSGBFU-CQSZACIVSA-N 1 0 341.433 1.776 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC[C@H]1[NH3+] ZINC000592382150 448814711 /nfs/dbraw/zinc/81/47/11/448814711.db2.gz KHEBPIHBGCSUJL-CHWSQXEVSA-N 1 0 341.433 1.960 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592381954 448814870 /nfs/dbraw/zinc/81/48/70/448814870.db2.gz BOJMOWVZSWTYHH-KOLCDFICSA-N 1 0 347.824 1.996 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC[C@@H]1[NH3+] ZINC000592382656 448815710 /nfs/dbraw/zinc/81/57/10/448815710.db2.gz SULOKSGYXSOBLU-AAEUAGOBSA-N 1 0 327.406 1.651 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000592390240 448820427 /nfs/dbraw/zinc/82/04/27/448820427.db2.gz KDNLSQQGADAZDA-LBPRGKRZSA-N 1 0 341.389 1.024 20 5 EDBDRO Cn1cnc(CCC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000592394387 448821865 /nfs/dbraw/zinc/82/18/65/448821865.db2.gz NMDJIQIFTKUOGS-QWHCGFSZSA-N 1 0 333.396 1.626 20 5 EDBDRO Cn1c2cc([N+](=O)[O-])c(N3CCC(C[NH+](C)C)CC3)cc2n(C)c1=O ZINC000587309720 448837035 /nfs/dbraw/zinc/83/70/35/448837035.db2.gz NAJHGKAGANXESC-UHFFFAOYSA-N 1 0 347.419 1.563 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000592477075 448854292 /nfs/dbraw/zinc/85/42/92/448854292.db2.gz OQOUUHAKQIKXEM-NOZJJQNGSA-N 1 0 327.768 1.365 20 5 EDBDRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000579726238 448865086 /nfs/dbraw/zinc/86/50/86/448865086.db2.gz XSCSQGYGSQBAMV-PHIMTYICSA-N 1 0 341.314 1.830 20 5 EDBDRO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000592562162 448901444 /nfs/dbraw/zinc/90/14/44/448901444.db2.gz FNTAUHMTVXGBNU-NSHDSACASA-N 1 0 326.303 1.119 20 5 EDBDRO CCOc1cc(C(=O)N[C@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000574757876 448950205 /nfs/dbraw/zinc/95/02/05/448950205.db2.gz LQPDNAYMYANFKO-VHSXEESVSA-N 1 0 325.365 1.858 20 5 EDBDRO Cc1c(C[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000569232395 448985729 /nfs/dbraw/zinc/98/57/29/448985729.db2.gz WGNQWYWPEZXQDP-ZENOOKHLSA-N 1 0 337.420 1.463 20 5 EDBDRO COc1ccc(CC(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000569307205 448997469 /nfs/dbraw/zinc/99/74/69/448997469.db2.gz HTIFCWASNHCRSM-NSHDSACASA-N 1 0 335.282 1.542 20 5 EDBDRO C[NH+]1CCC2(CC1)CN(C(=O)CCc1cccc([N+](=O)[O-])c1)CCO2 ZINC000592898633 449042918 /nfs/dbraw/zinc/04/29/18/449042918.db2.gz KSTUEWFXALJVHA-UHFFFAOYSA-N 1 0 347.415 1.851 20 5 EDBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])c2)CC1 ZINC000548741623 449093309 /nfs/dbraw/zinc/09/33/09/449093309.db2.gz BFJJLDXJUXBSDD-UHFFFAOYSA-N 1 0 344.375 1.318 20 5 EDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599939409 449118015 /nfs/dbraw/zinc/11/80/15/449118015.db2.gz XFYOFEHMCBAWST-BLLLJJGKSA-N 1 0 348.403 1.898 20 5 EDBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000593066391 449120910 /nfs/dbraw/zinc/12/09/10/449120910.db2.gz NJAQILLTMHGZFQ-VXGBXAGGSA-N 1 0 326.349 1.064 20 5 EDBDRO CCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000597944045 449153601 /nfs/dbraw/zinc/15/36/01/449153601.db2.gz BWOFTNAQDCOQPU-CYBMUJFWSA-N 1 0 344.375 1.342 20 5 EDBDRO CCN1C[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000593721961 449160445 /nfs/dbraw/zinc/16/04/45/449160445.db2.gz GCHFOBMHJZUSTF-MJBXVCDLSA-N 1 0 335.408 1.733 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593182264 449161171 /nfs/dbraw/zinc/16/11/71/449161171.db2.gz FDEQYMCPCQZRER-UHFFFAOYSA-N 1 0 349.391 1.141 20 5 EDBDRO Nc1nccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000590444938 449165691 /nfs/dbraw/zinc/16/56/91/449165691.db2.gz ZKIMCYGOJBPWKJ-LBPRGKRZSA-N 1 0 333.392 1.663 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000590447617 449168480 /nfs/dbraw/zinc/16/84/80/449168480.db2.gz ZLQWVRMNQPXSLQ-BMIGLBTASA-N 1 0 342.355 1.625 20 5 EDBDRO O=C(CC[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595735610 449137826 /nfs/dbraw/zinc/13/78/26/449137826.db2.gz BLIOWPHBVPYCKW-IUODEOHRSA-N 1 0 346.387 1.524 20 5 EDBDRO C[NH+]1CCC2(CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000590375501 449138765 /nfs/dbraw/zinc/13/87/65/449138765.db2.gz CKACLJMKNYBRNJ-UHFFFAOYSA-N 1 0 333.388 1.918 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H]1COCCO1 ZINC000595738086 449140384 /nfs/dbraw/zinc/14/03/84/449140384.db2.gz VZGCHRAWIOMRAI-CQSZACIVSA-N 1 0 337.376 1.579 20 5 EDBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000590387160 449142907 /nfs/dbraw/zinc/14/29/07/449142907.db2.gz FJBDTJNHEXOLBT-LLVKDONJSA-N 1 0 339.417 1.982 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[C@H](C)[NH+](C)C ZINC000597991672 449177039 /nfs/dbraw/zinc/17/70/39/449177039.db2.gz GSPBBFWSHISUKH-JQWIXIFHSA-N 1 0 340.428 1.284 20 5 EDBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000590523161 449180198 /nfs/dbraw/zinc/18/01/98/449180198.db2.gz XEWDZKGOQFXFQS-AWEZNQCLSA-N 1 0 348.403 1.186 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000590587982 449203434 /nfs/dbraw/zinc/20/34/34/449203434.db2.gz DMHYAWFXCIVPCB-PWSUYJOCSA-N 1 0 343.405 1.317 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000590590195 449205675 /nfs/dbraw/zinc/20/56/75/449205675.db2.gz VPCNBEKYMIDGQS-CMPLNLGQSA-N 1 0 343.405 1.317 20 5 EDBDRO C[C@H](CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000597996368 449181531 /nfs/dbraw/zinc/18/15/31/449181531.db2.gz IVXGACUMTYXKKX-GFCCVEGCSA-N 1 0 336.392 1.171 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000590566405 449193639 /nfs/dbraw/zinc/19/36/39/449193639.db2.gz HCEZHPMKBKBJRC-DOMZBBRYSA-N 1 0 348.403 1.184 20 5 EDBDRO C[NH+]1CCN(C(C)(C)CNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000604475664 449235222 /nfs/dbraw/zinc/23/52/22/449235222.db2.gz MEOWNZKCDCRWCD-UHFFFAOYSA-N 1 0 349.435 1.420 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000601964700 449248428 /nfs/dbraw/zinc/24/84/28/449248428.db2.gz LOBYJTWGXSYINU-KRWDZBQOSA-N 1 0 345.403 1.018 20 5 EDBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000600228974 449254025 /nfs/dbraw/zinc/25/40/25/449254025.db2.gz IRZAELYCGZAETC-CYBMUJFWSA-N 1 0 334.376 1.832 20 5 EDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000595924913 449256107 /nfs/dbraw/zinc/25/61/07/449256107.db2.gz JJINPWCZNRUJNE-CYBMUJFWSA-N 1 0 344.375 1.431 20 5 EDBDRO CC[C@H](C)[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1 ZINC000590725999 449259799 /nfs/dbraw/zinc/25/97/99/449259799.db2.gz HDWALLAMYJUIPY-LBPRGKRZSA-N 1 0 347.419 1.706 20 5 EDBDRO CN(CC1C[NH+](C)C1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000598163004 449267607 /nfs/dbraw/zinc/26/76/07/449267607.db2.gz MARURUMWSGMUIY-UHFFFAOYSA-N 1 0 332.404 1.829 20 5 EDBDRO Cc1c(C(=O)NCC2([NH3+])CCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000595941389 449269079 /nfs/dbraw/zinc/26/90/79/449269079.db2.gz ODZBHFCLUQLJST-UHFFFAOYSA-N 1 0 344.375 1.485 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCC1CC[NH2+]CC1 ZINC000593918473 449286465 /nfs/dbraw/zinc/28/64/65/449286465.db2.gz DWEPSNGKYVACMU-GFCCVEGCSA-N 1 0 348.403 1.219 20 5 EDBDRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000602036917 449291417 /nfs/dbraw/zinc/29/14/17/449291417.db2.gz OFGFIJKTOYVNFK-INIZCTEOSA-N 1 0 332.404 1.728 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@]12CCNC2=O ZINC000593998306 449317705 /nfs/dbraw/zinc/31/77/05/449317705.db2.gz GCDFUKFSHWDGCD-KRWDZBQOSA-N 1 0 346.387 1.586 20 5 EDBDRO CN(CC[NH+]1CCCCC1)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000593517407 449321452 /nfs/dbraw/zinc/32/14/52/449321452.db2.gz TVDSSYVTADKPGC-UHFFFAOYSA-N 1 0 342.421 1.164 20 5 EDBDRO C[C@@H]1C[N@@H+](CCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@H](C)O1 ZINC000611525401 449321623 /nfs/dbraw/zinc/32/16/23/449321623.db2.gz UCHITAUWVOCJFS-TXEJJXNPSA-N 1 0 338.408 1.581 20 5 EDBDRO O=C(NCC12CC(C1)C[NH2+]2)c1ccc([N+](=O)[O-])cc1Br ZINC000595952009 449276717 /nfs/dbraw/zinc/27/67/17/449276717.db2.gz VNMJEJVNLFOQOP-UHFFFAOYSA-N 1 0 340.177 1.839 20 5 EDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000595952211 449278542 /nfs/dbraw/zinc/27/85/42/449278542.db2.gz NECVZIAGULOPLB-LBPRGKRZSA-N 1 0 343.265 1.952 20 5 EDBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1(C)C ZINC000602173510 449404539 /nfs/dbraw/zinc/40/45/39/449404539.db2.gz QWJQLFAMTGWNSI-UONOGXRCSA-N 1 0 349.387 1.825 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596208365 449415998 /nfs/dbraw/zinc/41/59/98/449415998.db2.gz KSAFVKHRRFNINW-NSHDSACASA-N 1 0 342.421 1.163 20 5 EDBDRO CC[C@H](C(=O)N[C@@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000600540244 449433134 /nfs/dbraw/zinc/43/31/34/449433134.db2.gz FYGHEVHXXUCQIP-CZUORRHYSA-N 1 0 337.376 1.439 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@H](C[NH3+])C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000594451434 449525988 /nfs/dbraw/zinc/52/59/88/449525988.db2.gz ZBUKHACUJFRHEH-SNVBAGLBSA-N 1 0 349.265 1.391 20 5 EDBDRO COc1cc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c([N+](=O)[O-])cc1F ZINC000596539774 449545481 /nfs/dbraw/zinc/54/54/81/449545481.db2.gz QLUMILSLHWORPT-GFCCVEGCSA-N 1 0 339.367 1.778 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000596553437 449550197 /nfs/dbraw/zinc/55/01/97/449550197.db2.gz SNJIRZCSRXVYJC-CYBMUJFWSA-N 1 0 341.371 1.775 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC[C@H](C)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000598618697 449497778 /nfs/dbraw/zinc/49/77/78/449497778.db2.gz OTFSSBBBBYOTIM-NSHDSACASA-N 1 0 329.422 1.830 20 5 EDBDRO NC(=O)C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000612069245 449551505 /nfs/dbraw/zinc/55/15/05/449551505.db2.gz CYEFBFJHQKUJHG-CYBMUJFWSA-N 1 0 337.376 1.064 20 5 EDBDRO C[NH2+]CCOCCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000600710389 449510046 /nfs/dbraw/zinc/51/00/46/449510046.db2.gz OEMXWEMYQMFQBB-HNNXBMFYSA-N 1 0 333.392 1.243 20 5 EDBDRO NC(=O)c1ccnc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596558065 449552501 /nfs/dbraw/zinc/55/25/01/449552501.db2.gz MIRWBBREQSAVLA-CYBMUJFWSA-N 1 0 341.371 1.775 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598660978 449524947 /nfs/dbraw/zinc/52/49/47/449524947.db2.gz BADBTQBDGBBPFK-GFCCVEGCSA-N 1 0 349.391 1.174 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000598736170 449570974 /nfs/dbraw/zinc/57/09/74/449570974.db2.gz UYYNVWRBDAQYPK-STQMWFEESA-N 1 0 341.433 1.973 20 5 EDBDRO CO[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@](C)(C[NH3+])C1 ZINC000600881550 449585269 /nfs/dbraw/zinc/58/52/69/449585269.db2.gz YZJPUYPHLWIPKZ-QMTHXVAHSA-N 1 0 327.768 1.827 20 5 EDBDRO C[C@@H](C(=O)NCC[N@@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1F ZINC000600808296 449554659 /nfs/dbraw/zinc/55/46/59/449554659.db2.gz KOTJJZVHZRTRIS-PWSUYJOCSA-N 1 0 325.340 1.020 20 5 EDBDRO CO[C@@](C)(CO)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000594509708 449558384 /nfs/dbraw/zinc/55/83/84/449558384.db2.gz LDDBTUDHHFIVDM-MRXNPFEDSA-N 1 0 334.376 1.482 20 5 EDBDRO CO[C@@](C)(CO)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000594507479 449558586 /nfs/dbraw/zinc/55/85/86/449558586.db2.gz DCTOXVZJQRGRJS-IAQYHMDHSA-N 1 0 325.365 1.299 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C1 ZINC000598716809 449560703 /nfs/dbraw/zinc/56/07/03/449560703.db2.gz QNRSNXXLPFVFAN-ZDUSSCGKSA-N 1 0 341.433 1.832 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598721289 449563101 /nfs/dbraw/zinc/56/31/01/449563101.db2.gz ULHIFLJOPFPNTL-QMTHXVAHSA-N 1 0 341.389 1.105 20 5 EDBDRO CCc1nn(C)c(N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000600957023 449615992 /nfs/dbraw/zinc/61/59/92/449615992.db2.gz JRCPVLJMFQTSKD-CYBMUJFWSA-N 1 0 337.424 1.486 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(N3CCC(CO[C@@H]4CC[NH2+]C4)CC3)nn21 ZINC000600957680 449616447 /nfs/dbraw/zinc/61/64/47/449616447.db2.gz SLTHNRATTBDDEU-CYBMUJFWSA-N 1 0 346.391 1.232 20 5 EDBDRO CCN(CC[NH3+])C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000602534286 449656876 /nfs/dbraw/zinc/65/68/76/449656876.db2.gz HXJNXSQFWARPBW-UHFFFAOYSA-N 1 0 327.406 1.644 20 5 EDBDRO CN1CC[N@H+](C)C[C@H]1CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602547726 449666939 /nfs/dbraw/zinc/66/69/39/449666939.db2.gz ZTABYRFYMBCTEK-CYBMUJFWSA-N 1 0 346.353 1.949 20 5 EDBDRO O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000594752113 449666945 /nfs/dbraw/zinc/66/69/45/449666945.db2.gz JYOSORDFBUADSA-LBPRGKRZSA-N 1 0 340.405 1.239 20 5 EDBDRO CC(C)N1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1=O ZINC000602550914 449668203 /nfs/dbraw/zinc/66/82/03/449668203.db2.gz AAMDAKIGWRVROT-AWEZNQCLSA-N 1 0 347.419 1.558 20 5 EDBDRO Cc1cc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000596825773 449671199 /nfs/dbraw/zinc/67/11/99/449671199.db2.gz ZAXYNRAHOCAIRQ-OAHLLOKOSA-N 1 0 348.403 1.966 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000602579642 449685960 /nfs/dbraw/zinc/68/59/60/449685960.db2.gz COEONIFIOSWRJE-MRXNPFEDSA-N 1 0 333.388 1.826 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(C)C)c(C)cc1[N+](=O)[O-] ZINC000599106032 449738021 /nfs/dbraw/zinc/73/80/21/449738021.db2.gz TZAJTBIXLPKFFH-CQSZACIVSA-N 1 0 341.433 1.830 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000599066050 449715114 /nfs/dbraw/zinc/71/51/14/449715114.db2.gz OLXBKDAOTGQMFJ-BYCMXARLSA-N 1 0 337.376 1.441 20 5 EDBDRO Cc1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n(C)n1 ZINC000602652717 449731013 /nfs/dbraw/zinc/73/10/13/449731013.db2.gz JRLAZUQUBYZPKX-UHFFFAOYSA-N 1 0 330.392 1.790 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@H](O)C(F)(F)F)CC2)cn1 ZINC000602655929 449734471 /nfs/dbraw/zinc/73/44/71/449734471.db2.gz IKHBFTXJBVTFMM-LBPRGKRZSA-N 1 0 348.325 1.862 20 5 EDBDRO C[C@H]1CC[C@@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000599104032 449735405 /nfs/dbraw/zinc/73/54/05/449735405.db2.gz KZRCNVKFGFIVJS-WCQYABFASA-N 1 0 327.406 1.197 20 5 EDBDRO COCC[N@H+](C)CCN1C[C@H](Nc2ccsc2[N+](=O)[O-])CC1=O ZINC000601177978 449735858 /nfs/dbraw/zinc/73/58/58/449735858.db2.gz GSRIOKSNSXFJJQ-LLVKDONJSA-N 1 0 342.421 1.247 20 5 EDBDRO C[C@@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000594864260 449777084 /nfs/dbraw/zinc/77/70/84/449777084.db2.gz UHQIMUDDSMYSRP-LBPRGKRZSA-N 1 0 342.421 1.389 20 5 EDBDRO C[C@H](CCCCO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612574221 449780534 /nfs/dbraw/zinc/78/05/34/449780534.db2.gz GZHQQTSJTJHNKQ-GFCCVEGCSA-N 1 0 330.406 1.509 20 5 EDBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000602762559 449789656 /nfs/dbraw/zinc/78/96/56/449789656.db2.gz MWAZYSOTLNKRRL-ZDUSSCGKSA-N 1 0 328.376 1.496 20 5 EDBDRO COC(=O)[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000599153037 449765535 /nfs/dbraw/zinc/76/55/35/449765535.db2.gz SSPNKVURQLEQQJ-YGRLFVJLSA-N 1 0 331.328 1.910 20 5 EDBDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597096896 449810192 /nfs/dbraw/zinc/81/01/92/449810192.db2.gz KYFJYWASMIFGAM-MRVPVSSYSA-N 1 0 327.772 1.904 20 5 EDBDRO CN(C(=O)CN1CCC[C@@H]2C[NH2+]CC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000601334971 449843686 /nfs/dbraw/zinc/84/36/86/449843686.db2.gz PKHXEFOAGWGZBO-CJNGLKHVSA-N 1 0 332.404 1.632 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601351657 449864959 /nfs/dbraw/zinc/86/49/59/449864959.db2.gz LIEUKRTWPBOEOC-OLZOCXBDSA-N 1 0 339.417 1.666 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])s1 ZINC000601356119 449868843 /nfs/dbraw/zinc/86/88/43/449868843.db2.gz HHRGHSKBKMLTKJ-KOLCDFICSA-N 1 0 347.462 1.925 20 5 EDBDRO CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)[C@@H]1CC[N@H+](C)C1 ZINC000595110133 449874135 /nfs/dbraw/zinc/87/41/35/449874135.db2.gz GWMOKNJAGPIHLT-CYBMUJFWSA-N 1 0 348.403 1.703 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000595121719 449882586 /nfs/dbraw/zinc/88/25/86/449882586.db2.gz FVZSEEJXNZUJEN-GHMZBOCLSA-N 1 0 331.369 1.271 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000601369462 449884318 /nfs/dbraw/zinc/88/43/18/449884318.db2.gz NREUVSYJORBAFF-WCBMZHEXSA-N 1 0 333.435 1.535 20 5 EDBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(CCO)(CCO)CC1 ZINC000602966575 449968335 /nfs/dbraw/zinc/96/83/35/449968335.db2.gz KEFQHXUJGCVFMR-UHFFFAOYSA-N 1 0 338.404 1.821 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595353609 450067420 /nfs/dbraw/zinc/06/74/20/450067420.db2.gz IJWDIYFBTZTWFF-LLVKDONJSA-N 1 0 343.405 1.366 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000595353331 450067847 /nfs/dbraw/zinc/06/78/47/450067847.db2.gz FKYGXNRMUKMUMI-JTQLQIEISA-N 1 0 331.369 1.497 20 5 EDBDRO COc1cc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000601556603 450071331 /nfs/dbraw/zinc/07/13/31/450071331.db2.gz MAMDZNAHFCXZAE-YPMHNXCESA-N 1 0 349.387 1.826 20 5 EDBDRO Cc1nn(CCC(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000601558821 450072610 /nfs/dbraw/zinc/07/26/10/450072610.db2.gz SMNQPVHVMMRFAB-ZIAGYGMSSA-N 1 0 335.408 1.399 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000603084597 450056080 /nfs/dbraw/zinc/05/60/80/450056080.db2.gz UXQZWSYYEACVKE-UHFFFAOYSA-N 1 0 327.344 1.737 20 5 EDBDRO CO[C@H](C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@H]1CCOC1 ZINC000595371010 450084701 /nfs/dbraw/zinc/08/47/01/450084701.db2.gz MYDPVPKBMCAANC-GZBFAFLISA-N 1 0 336.392 1.528 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+][C@H](C(C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000595411388 450123410 /nfs/dbraw/zinc/12/34/10/450123410.db2.gz IFSITTXVTULDQT-ZDUSSCGKSA-N 1 0 341.433 1.830 20 5 EDBDRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610259520 450171411 /nfs/dbraw/zinc/17/14/11/450171411.db2.gz IXQWEQNUKPEKRE-LBPRGKRZSA-N 1 0 342.421 1.533 20 5 EDBDRO C[C@](CO)(NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000601779387 450234595 /nfs/dbraw/zinc/23/45/95/450234595.db2.gz QYDOCNYGYDVVMK-SJLPKXTDSA-N 1 0 347.415 1.793 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000610761884 450326202 /nfs/dbraw/zinc/32/62/02/450326202.db2.gz KKOUMVSNIOXQBB-ZDUSSCGKSA-N 1 0 344.371 1.903 20 5 EDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000619871926 450349488 /nfs/dbraw/zinc/34/94/88/450349488.db2.gz KYLXPSSCRSOARQ-OAHLLOKOSA-N 1 0 333.388 1.922 20 5 EDBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000363999551 491018129 /nfs/dbraw/zinc/01/81/29/491018129.db2.gz NVAPUVKQYIFXFC-LBPRGKRZSA-N 1 0 330.348 1.047 20 5 EDBDRO O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262592367 491019858 /nfs/dbraw/zinc/01/98/58/491019858.db2.gz FXPBERRSVAUDGU-OLZOCXBDSA-N 1 0 342.359 1.142 20 5 EDBDRO COC(=O)c1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000186916792 533729214 /nfs/dbraw/zinc/72/92/14/533729214.db2.gz QVOQIRDYFRRWKI-FZZIBODNSA-N 1 0 333.344 1.191 20 5 EDBDRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000264227512 536431163 /nfs/dbraw/zinc/43/11/63/536431163.db2.gz XINLALYPSZSAGI-CYBMUJFWSA-N 1 0 343.387 1.804 20 5 EDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188533346 527655787 /nfs/dbraw/zinc/65/57/87/527655787.db2.gz HVKIWGQHJYGQNC-UHFFFAOYSA-N 1 0 343.387 1.716 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000174020545 527837843 /nfs/dbraw/zinc/83/78/43/527837843.db2.gz KXAMYAKMNOMWLJ-SNVBAGLBSA-N 1 0 333.435 1.619 20 5 EDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236600209 535307693 /nfs/dbraw/zinc/30/76/93/535307693.db2.gz XAPFEJJVYCQTLX-MRXNPFEDSA-N 1 0 331.376 1.884 20 5 EDBDRO CN(CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC000237296082 536165974 /nfs/dbraw/zinc/16/59/74/536165974.db2.gz FKPRUJZTEUBWCN-PBWFPOADSA-N 1 0 332.404 1.772 20 5 EDBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000353387285 536434608 /nfs/dbraw/zinc/43/46/08/536434608.db2.gz OCPXSIBSVOLCJG-AWEZNQCLSA-N 1 0 343.387 1.912 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@]2(C)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000353208103 536476837 /nfs/dbraw/zinc/47/68/37/536476837.db2.gz JSLUTDXLKFXFOL-BZNIZROVSA-N 1 0 338.360 1.804 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000741579885 579421189 /nfs/dbraw/zinc/42/11/89/579421189.db2.gz QZUZAEOAKWDHIC-SWLSCSKDSA-N 1 0 345.403 1.743 20 5 EDBDRO Cc1nn(CCC(=O)N[C@@H](C[NH+](C)C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000726628738 578352282 /nfs/dbraw/zinc/35/22/82/578352282.db2.gz LWNBATVMFPSZEL-ZDUSSCGKSA-N 1 0 325.413 1.501 20 5 EDBDRO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000727169659 578520395 /nfs/dbraw/zinc/52/03/95/578520395.db2.gz MZBOSORVOXNICR-CYBMUJFWSA-N 1 0 344.371 1.318 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729502353 578578156 /nfs/dbraw/zinc/57/81/56/578578156.db2.gz SMNNIQUPEYYOMX-GJZGRUSLSA-N 1 0 348.403 1.599 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000730157726 578618507 /nfs/dbraw/zinc/61/85/07/578618507.db2.gz XOOKTIZNECCHIX-GFCCVEGCSA-N 1 0 337.449 1.517 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000731024890 578666068 /nfs/dbraw/zinc/66/60/68/578666068.db2.gz KFUISGPYMSUPGZ-LBPRGKRZSA-N 1 0 331.376 1.403 20 5 EDBDRO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000731981751 578686193 /nfs/dbraw/zinc/68/61/93/578686193.db2.gz PIIPOAZTIYWJKY-DTORHVGOSA-N 1 0 347.343 1.247 20 5 EDBDRO CNC(=O)C1([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCCC1 ZINC000733896363 578789207 /nfs/dbraw/zinc/78/92/07/578789207.db2.gz WRTRZQUGUMUACM-UHFFFAOYSA-N 1 0 348.403 1.880 20 5 EDBDRO CC[S@@](=O)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000735084623 578857991 /nfs/dbraw/zinc/85/79/91/578857991.db2.gz MELYRLCEJLSYBU-HSZRJFAPSA-N 1 0 336.417 1.854 20 5 EDBDRO CCC[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736481551 578993093 /nfs/dbraw/zinc/99/30/93/578993093.db2.gz WJALNRYMXDMUEH-SNVBAGLBSA-N 1 0 332.368 1.314 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000737005445 579039768 /nfs/dbraw/zinc/03/97/68/579039768.db2.gz SBZMFRPFJZWPTH-GFCCVEGCSA-N 1 0 347.379 1.298 20 5 EDBDRO Cc1nn(CCC(=O)N2CCC23CC[NH+](C)CC3)c(C)c1[N+](=O)[O-] ZINC000742184567 579101158 /nfs/dbraw/zinc/10/11/58/579101158.db2.gz XKPONEMZCGRABK-UHFFFAOYSA-N 1 0 335.408 1.495 20 5 EDBDRO CNC(=O)CCC[N@H+](C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000753805866 579887963 /nfs/dbraw/zinc/88/79/63/579887963.db2.gz OFIWTTPYGVJBPU-UHFFFAOYSA-N 1 0 349.391 1.252 20 5 EDBDRO COC(=O)C[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000754535522 579905742 /nfs/dbraw/zinc/90/57/42/579905742.db2.gz HJUDGSXHZZVVSH-HZMBPMFUSA-N 1 0 335.360 1.853 20 5 EDBDRO CN1CCN(C)[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000765915861 580153528 /nfs/dbraw/zinc/15/35/28/580153528.db2.gz IMWZXQDMHHJNBV-SFHVURJKSA-N 1 0 347.463 1.399 20 5 EDBDRO CC(C)[NH+]1CCC(N2CCN(Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000771172759 580281697 /nfs/dbraw/zinc/28/16/97/580281697.db2.gz FPZIJRTZDQHGQU-UHFFFAOYSA-N 1 0 336.440 1.239 20 5 EDBDRO Cc1n[nH]c(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000780739143 580532604 /nfs/dbraw/zinc/53/26/04/580532604.db2.gz GKNPCFMLAPGROF-UHFFFAOYSA-N 1 0 330.392 1.822 20 5 EDBDRO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000781609936 580553276 /nfs/dbraw/zinc/55/32/76/580553276.db2.gz HILUSELXTTYYOL-GFCCVEGCSA-N 1 0 348.359 1.789 20 5 EDBDRO COc1ccccc1[C@@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000782067685 580565526 /nfs/dbraw/zinc/56/55/26/580565526.db2.gz LIPZQOUPXNPEPE-HZPDHXFCSA-N 1 0 332.356 1.960 20 5 EDBDRO O=C(CC[N@H+]1CCSC[C@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000782525000 580576853 /nfs/dbraw/zinc/57/68/53/580576853.db2.gz RLBDOISMPUPBLM-LLVKDONJSA-N 1 0 343.380 1.472 20 5 EDBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCCC[NH+]1CCCC1 ZINC000787971442 580712175 /nfs/dbraw/zinc/71/21/75/580712175.db2.gz RFKJDNFJEYSDQP-UHFFFAOYSA-N 1 0 335.360 1.354 20 5 EDBDRO C[NH+](C)CCCOC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000791898924 580804856 /nfs/dbraw/zinc/80/48/56/580804856.db2.gz KSZFIJDIWSMWHF-LLVKDONJSA-N 1 0 339.348 1.287 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C1 ZINC000794634295 580901033 /nfs/dbraw/zinc/90/10/33/580901033.db2.gz WIXRLTLBCJSCAX-LBPRGKRZSA-N 1 0 347.375 1.395 20 5 EDBDRO Nc1nc(N2CCC[C@@H](OC(=O)c3cccc([N+](=O)[O-])c3)C2)cc[nH+]1 ZINC000798202138 580990716 /nfs/dbraw/zinc/99/07/16/580990716.db2.gz IOFBHVUWYLAKMG-CYBMUJFWSA-N 1 0 343.343 1.793 20 5 EDBDRO C[C@H]1C[C@H](N2CCOCC2)CN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000804809352 590776755 /nfs/dbraw/zinc/77/67/55/590776755.db2.gz YPTLUTKGIHLIQW-STQMWFEESA-N 1 0 331.376 1.542 20 5 EDBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000890881223 590828927 /nfs/dbraw/zinc/82/89/27/590828927.db2.gz VDQULRVEYDMNKF-UHFFFAOYSA-N 1 0 326.372 1.976 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2ccoc2)c1 ZINC000727467814 591724302 /nfs/dbraw/zinc/72/43/02/591724302.db2.gz FCYMRNZXCDURGG-UHFFFAOYSA-N 1 0 325.346 1.256 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000897222535 591776253 /nfs/dbraw/zinc/77/62/53/591776253.db2.gz VOKKBXRMNWUTDL-UONOGXRCSA-N 1 0 349.387 1.417 20 5 EDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000899946016 591834049 /nfs/dbraw/zinc/83/40/49/591834049.db2.gz ZEYDNGPUFISLEA-HNNXBMFYSA-N 1 0 343.387 1.664 20 5 EDBDRO [NH3+]CC[C@@H]1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000900473374 592035111 /nfs/dbraw/zinc/03/51/11/592035111.db2.gz CSGDLCIMZPBJJG-SNVBAGLBSA-N 1 0 329.303 1.764 20 5 EDBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](Nc3ncccn3)C2)c1 ZINC000903028660 592109113 /nfs/dbraw/zinc/10/91/13/592109113.db2.gz TXMFMHQOFMOUHR-CYBMUJFWSA-N 1 0 329.360 1.950 20 5 EDBDRO C[C@@H]1C[NH2+]C[C@H]1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000903439729 592170172 /nfs/dbraw/zinc/17/01/72/592170172.db2.gz NDXMBPWNAGDTDP-HIFRSBDPSA-N 1 0 332.404 1.208 20 5 EDBDRO CN1C[C@H](O)C[C@@]1(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000901017023 592198293 /nfs/dbraw/zinc/19/82/93/592198293.db2.gz ORQFNCCURQMQRZ-RISCZKNCSA-N 1 0 327.768 1.320 20 5 EDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000903591135 592235395 /nfs/dbraw/zinc/23/53/95/592235395.db2.gz IAFJKLQPHNCKNJ-UHFFFAOYSA-N 1 0 329.422 1.830 20 5 EDBDRO C[C@H]1CN(C)C[C@H](C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)O1 ZINC000904500615 592272981 /nfs/dbraw/zinc/27/29/81/592272981.db2.gz OIYBUMFXWPWHAD-IINYFYTJSA-N 1 0 330.344 1.801 20 5 EDBDRO CCCc1[nH]nc(-c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)c1[N+](=O)[O-] ZINC000904930063 592349761 /nfs/dbraw/zinc/34/97/61/592349761.db2.gz NNMYFXFZITVRBW-GXSJLCMTSA-N 1 0 348.363 1.856 20 5 EDBDRO [NH3+][C@@H](CC(F)F)CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000903903744 592372048 /nfs/dbraw/zinc/37/20/48/592372048.db2.gz MJRXIZJUQNKFCJ-VIFPVBQESA-N 1 0 348.375 1.397 20 5 EDBDRO O=[N+]([O-])CC[NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000905081413 592389542 /nfs/dbraw/zinc/38/95/42/592389542.db2.gz PRXKDMSCGPNRJQ-CQSZACIVSA-N 1 0 347.337 1.945 20 5 EDBDRO COc1ccc(C(=O)N2CCC([NH2+]CC[N+](=O)[O-])CC2)cc1OC ZINC000905127428 592428306 /nfs/dbraw/zinc/42/83/06/592428306.db2.gz LGUHNGPGTCQMQE-UHFFFAOYSA-N 1 0 337.376 1.175 20 5 EDBDRO CCN([C@H]1CCC[NH2+]CC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000905346940 592501855 /nfs/dbraw/zinc/50/18/55/592501855.db2.gz GQXQWSNNGFHSAF-AWEZNQCLSA-N 1 0 341.433 1.889 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)c1 ZINC000905649289 592595968 /nfs/dbraw/zinc/59/59/68/592595968.db2.gz PEUHSDPQMPENPR-PVAVHDDUSA-N 1 0 336.388 1.882 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC23CC[NH+](C)CC3)c([N+](=O)[O-])s1 ZINC000907857485 592817029 /nfs/dbraw/zinc/81/70/29/592817029.db2.gz MZYJLGQOXDUOCA-UHFFFAOYSA-N 1 0 345.446 1.824 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910295560 592833419 /nfs/dbraw/zinc/83/34/19/592833419.db2.gz NIXBWKJIYMMEJC-ZDUSSCGKSA-N 1 0 348.403 1.267 20 5 EDBDRO CCCN(C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@H]1CC[NH2+]C1 ZINC000911768115 593000857 /nfs/dbraw/zinc/00/08/57/593000857.db2.gz PEYKDQJBFKTVPJ-BLLLJJGKSA-N 1 0 346.387 1.688 20 5 EDBDRO O=C(C1=NOC2(C1)CC[NH2+]CC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912182858 593069303 /nfs/dbraw/zinc/06/93/03/593069303.db2.gz JQELTIUNZICVFA-UHFFFAOYSA-N 1 0 330.344 1.382 20 5 EDBDRO CN(CC[N@H+](C)CCO)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000912598069 593107271 /nfs/dbraw/zinc/10/72/71/593107271.db2.gz CGVGYSHHDZVCMD-UHFFFAOYSA-N 1 0 349.309 1.610 20 5 EDBDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000805825905 593149917 /nfs/dbraw/zinc/14/99/17/593149917.db2.gz KELLZJJEZYEKIU-CABCVRRESA-N 1 0 337.376 1.839 20 5 EDBDRO O=c1oc2cccc([N+](=O)[O-])c2n1CN1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000794635991 593184085 /nfs/dbraw/zinc/18/40/85/593184085.db2.gz ZKGMTPLQVFFDNA-GFCCVEGCSA-N 1 0 330.344 1.406 20 5 EDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000796117382 593191768 /nfs/dbraw/zinc/19/17/68/593191768.db2.gz YJSJOLZJUCPYKA-GHMZBOCLSA-N 1 0 345.446 1.904 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000807924885 593210196 /nfs/dbraw/zinc/21/01/96/593210196.db2.gz YLHHBUNRFGQWNZ-MWLCHTKSSA-N 1 0 335.389 1.812 20 5 EDBDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000840179111 593342199 /nfs/dbraw/zinc/34/21/99/593342199.db2.gz QSVFXLVAZFDBSC-CYBMUJFWSA-N 1 0 344.375 1.221 20 5 EDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000839606637 593348519 /nfs/dbraw/zinc/34/85/19/593348519.db2.gz QXDRMJSJPOYAMX-VVLHAWIVSA-N 1 0 345.399 1.678 20 5 EDBDRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839680902 593369695 /nfs/dbraw/zinc/36/96/95/593369695.db2.gz OUBUSMJPNQADQV-HZPDHXFCSA-N 1 0 333.388 1.443 20 5 EDBDRO CC[NH+](CC)CCSCC(=O)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000840198916 593393079 /nfs/dbraw/zinc/39/30/79/593393079.db2.gz HLXIDNUWUJDKKD-UHFFFAOYSA-N 1 0 339.417 1.926 20 5 EDBDRO CN1CC[NH+](CCCCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804349477 593407511 /nfs/dbraw/zinc/40/75/11/593407511.db2.gz IVRWRALSKJVONS-UHFFFAOYSA-N 1 0 337.380 1.943 20 5 EDBDRO CN(C[C@@H]1CCC[N@@H+]1C)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000817374318 593598244 /nfs/dbraw/zinc/59/82/44/593598244.db2.gz KEZHQCLJNQNMDP-LBPRGKRZSA-N 1 0 347.375 1.395 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000815138502 593617868 /nfs/dbraw/zinc/61/78/68/593617868.db2.gz URNNWUXLOMMGIO-GVDBMIGSSA-N 1 0 335.404 1.423 20 5 EDBDRO Cn1ncc(CCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000815640308 593645226 /nfs/dbraw/zinc/64/52/26/593645226.db2.gz UOBYEPDRWKVNPM-ZIAGYGMSSA-N 1 0 333.396 1.626 20 5 EDBDRO C[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[NH2+]C1 ZINC000818533230 593703682 /nfs/dbraw/zinc/70/36/82/593703682.db2.gz HEVTYWLTTOUXKW-NWDGAFQWSA-N 1 0 331.376 1.449 20 5 EDBDRO CN(CC(=O)NCc1ccc(CC[NH3+])cc1)c1ccccc1[N+](=O)[O-] ZINC000818535341 593703834 /nfs/dbraw/zinc/70/38/34/593703834.db2.gz IILOXBMXWSAACV-UHFFFAOYSA-N 1 0 342.399 1.849 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N(C1CC1)C1CC[NH2+]CC1 ZINC000818559905 593704759 /nfs/dbraw/zinc/70/47/59/593704759.db2.gz TZVWHYUZNKOLCN-UHFFFAOYSA-N 1 0 343.387 1.688 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000818986187 593732365 /nfs/dbraw/zinc/73/23/65/593732365.db2.gz HPZSOZZXOOIXLT-WCQYABFASA-N 1 0 333.310 1.854 20 5 EDBDRO C[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC000820656577 593854835 /nfs/dbraw/zinc/85/48/35/593854835.db2.gz GPAKISBBVPGWHO-WDEREUQCSA-N 1 0 331.380 1.694 20 5 EDBDRO CS[C@H]1CN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000823968557 593896793 /nfs/dbraw/zinc/89/67/93/593896793.db2.gz WGCOATOELQNIBI-STQMWFEESA-N 1 0 339.421 1.686 20 5 EDBDRO O=C(NCCCC[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1F ZINC000822187290 594004994 /nfs/dbraw/zinc/00/49/94/594004994.db2.gz BHPGVZKZSLPNFC-UHFFFAOYSA-N 1 0 325.340 1.576 20 5 EDBDRO CCN(CC)C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000822777319 594099061 /nfs/dbraw/zinc/09/90/61/594099061.db2.gz CFLCAQFXPUDNGZ-UHFFFAOYSA-N 1 0 345.359 1.379 20 5 EDBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823306733 594183193 /nfs/dbraw/zinc/18/31/93/594183193.db2.gz XTBOKYWYQFGYTN-UHFFFAOYSA-N 1 0 328.457 1.306 20 5 EDBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000823310424 594183779 /nfs/dbraw/zinc/18/37/79/594183779.db2.gz MSRLTVSCFJZLNW-CQSZACIVSA-N 1 0 328.457 1.212 20 5 EDBDRO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000825763674 594240796 /nfs/dbraw/zinc/24/07/96/594240796.db2.gz ATQFHOZWYWIWLO-HOTGVXAUSA-N 1 0 333.388 1.715 20 5 EDBDRO CS[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000828372713 594404055 /nfs/dbraw/zinc/40/40/55/594404055.db2.gz LBBHRDFKNHQCID-STQMWFEESA-N 1 0 329.466 1.860 20 5 EDBDRO O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000830550352 594420256 /nfs/dbraw/zinc/42/02/56/594420256.db2.gz WYLQRUTXDLHOMF-AWEZNQCLSA-N 1 0 338.751 1.422 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000826750824 594569596 /nfs/dbraw/zinc/56/95/96/594569596.db2.gz JPHGIJAYYQGFJP-CQSZACIVSA-N 1 0 335.408 1.338 20 5 EDBDRO CN1CC[NH+](C2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000827473704 594675529 /nfs/dbraw/zinc/67/55/29/594675529.db2.gz LLVGGMFBNNTKCQ-UHFFFAOYSA-N 1 0 346.431 1.376 20 5 EDBDRO CCO[C@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])C[NH+](C)C ZINC000831725259 594696643 /nfs/dbraw/zinc/69/66/43/594696643.db2.gz XDSUDEYNKQQTFZ-LLVKDONJSA-N 1 0 325.365 1.300 20 5 EDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000832639767 594765947 /nfs/dbraw/zinc/76/59/47/594765947.db2.gz QMZMXVFPPRMIHX-CYBMUJFWSA-N 1 0 348.403 1.113 20 5 EDBDRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841187167 594865492 /nfs/dbraw/zinc/86/54/92/594865492.db2.gz NWXGNITUWZIEIR-UHFFFAOYSA-N 1 0 342.783 1.820 20 5 EDBDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841188957 594865599 /nfs/dbraw/zinc/86/55/99/594865599.db2.gz FETUHKDJSYXRMA-SNVBAGLBSA-N 1 0 340.767 1.397 20 5 EDBDRO C/C(=C/C(=O)NCC[NH+]1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000837023210 595025149 /nfs/dbraw/zinc/02/51/49/595025149.db2.gz VNUGIZQKMFWSJT-SEYXRHQNSA-N 1 0 333.388 1.571 20 5 EDBDRO O=C(NC1CC[NH+](C2CCC2)CC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000837042459 595027185 /nfs/dbraw/zinc/02/71/85/595027185.db2.gz BHGHLAXHJNCLGW-INIZCTEOSA-N 1 0 333.388 1.761 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCO1 ZINC000843356891 595086128 /nfs/dbraw/zinc/08/61/28/595086128.db2.gz GMKKFWKJQSKJNU-SDBXPKJASA-N 1 0 345.758 1.504 20 5 EDBDRO Cc1c(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000834310398 595090176 /nfs/dbraw/zinc/09/01/76/595090176.db2.gz KZMOCZLBUAWKKB-RISCZKNCSA-N 1 0 348.359 1.896 20 5 EDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843376524 595093621 /nfs/dbraw/zinc/09/36/21/595093621.db2.gz AFWGTVWBORVDRH-VHSXEESVSA-N 1 0 326.784 1.869 20 5 EDBDRO C[C@H]1[NH2+]CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1C ZINC000843376525 595093627 /nfs/dbraw/zinc/09/36/27/595093627.db2.gz AFWGTVWBORVDRH-ZJUUUORDSA-N 1 0 326.784 1.869 20 5 EDBDRO O=C(CCN1CC[NH2+]C[C@H]1C(F)F)Nc1cc([N+](=O)[O-])ccc1F ZINC000843385738 595096328 /nfs/dbraw/zinc/09/63/28/595096328.db2.gz QJBRSFPKFNVOHY-LBPRGKRZSA-N 1 0 346.309 1.601 20 5 EDBDRO O=C(CN1CC[NH2+]C[C@@H]1C(F)F)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843386211 595096361 /nfs/dbraw/zinc/09/63/61/595096361.db2.gz WVLYNUHUNUGKJS-LLVKDONJSA-N 1 0 348.737 1.726 20 5 EDBDRO CC[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[C@H]1[NH3+] ZINC000843470895 595122174 /nfs/dbraw/zinc/12/21/74/595122174.db2.gz GNFTYJHJPMKLFF-GXFFZTMASA-N 1 0 325.340 1.699 20 5 EDBDRO Cc1cc(F)cc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000843481381 595125430 /nfs/dbraw/zinc/12/54/30/595125430.db2.gz VSBICDHYUACFOL-ZDUSSCGKSA-N 1 0 336.367 1.162 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)n1 ZINC000834783432 595211012 /nfs/dbraw/zinc/21/10/12/595211012.db2.gz KHAAGLSVDXKRID-UHFFFAOYSA-N 1 0 335.408 1.948 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000842916757 595234301 /nfs/dbraw/zinc/23/43/01/595234301.db2.gz ZZYZLQQQYDAYDB-BDAKNGLRSA-N 1 0 335.813 1.961 20 5 EDBDRO O=C1N=NCN1C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846883787 595331593 /nfs/dbraw/zinc/33/15/93/595331593.db2.gz VRCRLTDIPOHXSH-AWEZNQCLSA-N 1 0 333.348 1.262 20 5 EDBDRO COCC[N@@H+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000844432031 595342511 /nfs/dbraw/zinc/34/25/11/595342511.db2.gz PVBLAWXHADEKHA-MRXNPFEDSA-N 1 0 337.420 1.671 20 5 EDBDRO Cc1c(C(=O)N[C@H](C[NH3+])C(F)(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000848439495 595379526 /nfs/dbraw/zinc/37/95/26/595379526.db2.gz QSJLSUOXZRSFFZ-SECBINFHSA-N 1 0 336.226 1.431 20 5 EDBDRO O=C1O[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CN1C1CC1 ZINC000848573368 595406875 /nfs/dbraw/zinc/40/68/75/595406875.db2.gz ZLOKENALXJMLIZ-MGPQQGTHSA-N 1 0 349.391 1.848 20 5 EDBDRO O=[N+]([O-])c1ccccc1NCCc1noc([C@]23C[NH2+]C[C@H]2COC3)n1 ZINC000844910540 595412182 /nfs/dbraw/zinc/41/21/82/595412182.db2.gz VNEDNBDCBVOPBL-ZBEGNZNMSA-N 1 0 345.359 1.120 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000857765470 595600177 /nfs/dbraw/zinc/60/01/77/595600177.db2.gz AEGGMPDDFXYXQM-ZJUUUORDSA-N 1 0 329.303 1.823 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765903 595600707 /nfs/dbraw/zinc/60/07/07/595600707.db2.gz LSBAOJOFYGCZMT-BXKDBHETSA-N 1 0 329.303 1.681 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765906 595600968 /nfs/dbraw/zinc/60/09/68/595600968.db2.gz LSBAOJOFYGCZMT-SKDRFNHKSA-N 1 0 329.303 1.681 20 5 EDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857768264 595601651 /nfs/dbraw/zinc/60/16/51/595601651.db2.gz NXYVIXIQKFPMMH-ZJUUUORDSA-N 1 0 329.303 1.905 20 5 EDBDRO C[N@@H+]1CC[C@H](N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000858138562 595710468 /nfs/dbraw/zinc/71/04/68/595710468.db2.gz DOHAXZLHJNEOLY-NUEKZKHPSA-N 1 0 337.420 1.452 20 5 EDBDRO CON(C)C(=O)[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000858579818 595834038 /nfs/dbraw/zinc/83/40/38/595834038.db2.gz UEQHAXVCSQAAPG-LBPRGKRZSA-N 1 0 336.392 1.562 20 5 EDBDRO O=C(NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855918318 595858720 /nfs/dbraw/zinc/85/87/20/595858720.db2.gz AWHQHTHQRAAVAB-HZPDHXFCSA-N 1 0 344.415 1.123 20 5 EDBDRO C[NH+](C)CCN1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1=O ZINC000853710954 595861077 /nfs/dbraw/zinc/86/10/77/595861077.db2.gz GEUJXOLNIYTFEP-UHFFFAOYSA-N 1 0 342.346 1.743 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)OC[C@@]2(C)C[C@@H](OC)C[N@@H+]2C)c1 ZINC000861343880 595950261 /nfs/dbraw/zinc/95/02/61/595950261.db2.gz KIQFCVMFWQAJRI-MLGOLLRUSA-N 1 0 338.360 1.869 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+][C@H](C(C)C)C2)cc([N+](=O)[O-])c1F ZINC000851896163 595966652 /nfs/dbraw/zinc/96/66/52/595966652.db2.gz HAJYTJGTSRXDTQ-LBPRGKRZSA-N 1 0 345.396 1.661 20 5 EDBDRO O=C(C[NH2+][C@H](CO)C1CCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852320208 596125262 /nfs/dbraw/zinc/12/52/62/596125262.db2.gz HCHAQLZIPLJMBQ-GFCCVEGCSA-N 1 0 327.768 1.937 20 5 EDBDRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000854642495 596145767 /nfs/dbraw/zinc/14/57/67/596145767.db2.gz PUBILRLLHHHRLA-GJZGRUSLSA-N 1 0 337.351 1.669 20 5 EDBDRO [NH3+]CC1(NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCOCC1 ZINC000859645866 596155007 /nfs/dbraw/zinc/15/50/07/596155007.db2.gz JSGQSIAQGPJPAY-UHFFFAOYSA-N 1 0 328.756 1.878 20 5 EDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]23COCCN2C(=O)COC3)cc1[N+](=O)[O-] ZINC000866555042 596249548 /nfs/dbraw/zinc/24/95/48/596249548.db2.gz KIVKWMQCBIBOLS-DYVFJYSZSA-N 1 0 349.387 1.182 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000866822358 596365457 /nfs/dbraw/zinc/36/54/57/596365457.db2.gz FVXWLULXAXNXHC-NEPJUHHUSA-N 1 0 343.380 1.557 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868079922 596679075 /nfs/dbraw/zinc/67/90/75/596679075.db2.gz JADIXLHPOIHUSN-WFASDCNBSA-N 1 0 348.403 1.839 20 5 EDBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NCCC[NH+]1CCC(O)CC1 ZINC000865951751 596735073 /nfs/dbraw/zinc/73/50/73/596735073.db2.gz DJDLOHVZNZWXLH-UHFFFAOYSA-N 1 0 339.367 1.239 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000872230731 596846081 /nfs/dbraw/zinc/84/60/81/596846081.db2.gz IBVQIIQVWAGZLP-CYZMBNFOSA-N 1 0 348.325 1.887 20 5 EDBDRO CC(C)[C@H]1CN(Cn2cc(Br)c([N+](=O)[O-])n2)CC[N@@H+]1C ZINC000872736690 597053024 /nfs/dbraw/zinc/05/30/24/597053024.db2.gz UKYBTCBMSCWEHV-LLVKDONJSA-N 1 0 346.229 1.783 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000874847498 597198674 /nfs/dbraw/zinc/19/86/74/597198674.db2.gz PEAHWWZTFQHEAM-CHWSQXEVSA-N 1 0 347.371 1.675 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000877366938 597502557 /nfs/dbraw/zinc/50/25/57/597502557.db2.gz MAMIBDMMXIUNLI-MNOVXSKESA-N 1 0 331.294 1.733 20 5 EDBDRO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877617603 597541663 /nfs/dbraw/zinc/54/16/63/597541663.db2.gz XPEACXDRKOFFFI-KOHJWAIASA-N 1 0 343.387 1.861 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879580269 597642150 /nfs/dbraw/zinc/64/21/50/597642150.db2.gz GNANREPEAALKPB-KFWWJZLASA-N 1 0 335.404 1.361 20 5 EDBDRO COc1cccc([C@H]2C[NH2+]CCN2CCn2cc([N+](=O)[O-])cn2)c1 ZINC000883456492 597755610 /nfs/dbraw/zinc/75/56/10/597755610.db2.gz ZIEJBTJSYVUYKB-MRXNPFEDSA-N 1 0 331.376 1.446 20 5 EDBDRO CC(C)(O)[C@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000879959642 597784448 /nfs/dbraw/zinc/78/44/48/597784448.db2.gz QQAROAWOEBIFFM-ZFWWWQNUSA-N 1 0 338.404 1.817 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@H]3[C@H]2CCC[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000880135027 597852080 /nfs/dbraw/zinc/85/20/80/597852080.db2.gz PZHUKLWDPBCDHM-LSDHHAIUSA-N 1 0 348.403 1.710 20 5 EDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000882483459 597972570 /nfs/dbraw/zinc/97/25/70/597972570.db2.gz ATLKASGNTJUFDG-AWEZNQCLSA-N 1 0 329.360 1.605 20 5 EDBDRO C[NH2+][C@@H](CC(C)C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000884195431 598023157 /nfs/dbraw/zinc/02/31/57/598023157.db2.gz MFDWWRDQUXQCTH-INIZCTEOSA-N 1 0 334.420 1.878 20 5 EDBDRO Cc1c(C[NH+]2CCC(C(=O)NCCCO)CC2)cccc1[N+](=O)[O-] ZINC000917053893 696891537 /nfs/dbraw/zinc/89/15/37/696891537.db2.gz LUQXTZLDBIDSBC-UHFFFAOYSA-N 1 0 335.404 1.614 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(C)CCN(C(=O)c2cc[nH]c2)CC1 ZINC000940129774 700241508 /nfs/dbraw/zinc/24/15/08/700241508.db2.gz ZIKLUCXGEPHQKI-UHFFFAOYSA-N 1 0 346.391 1.441 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(C)CCN(C(=O)C2(C)CCC2)CC1 ZINC000940259262 700424231 /nfs/dbraw/zinc/42/42/31/700424231.db2.gz NQSDJQYIFGAMSS-UHFFFAOYSA-N 1 0 349.435 1.989 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000996429661 702783864 /nfs/dbraw/zinc/78/38/64/702783864.db2.gz RSPCFDRXWOWLOC-IUODEOHRSA-N 1 0 339.342 1.711 20 5 EDBDRO CCO[C@@H](CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000921807363 708073461 /nfs/dbraw/zinc/07/34/61/708073461.db2.gz PBQQWCBQOWBGKM-STQMWFEESA-N 1 0 338.408 1.922 20 5 EDBDRO Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)n1 ZINC001034644044 710320011 /nfs/dbraw/zinc/32/00/11/710320011.db2.gz ZPBPTEXMDAOROZ-QBPKDAKJSA-N 1 0 346.431 1.881 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)C)CC1 ZINC001034782212 711073830 /nfs/dbraw/zinc/07/38/30/711073830.db2.gz AZTGGKXGDOJAEN-HAQNSBGRSA-N 1 0 337.424 1.891 20 5 EDBDRO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCO1 ZINC000267351199 282127114 /nfs/dbraw/zinc/12/71/14/282127114.db2.gz FMLPFWSFHHGPDY-SNVBAGLBSA-N 1 0 327.768 1.651 20 5 EDBDRO C[NH2+]CC1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000269146905 290640514 /nfs/dbraw/zinc/64/05/14/290640514.db2.gz GGPIVNRSMSWBCH-UHFFFAOYSA-N 1 0 335.360 1.438 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000561159707 306283145 /nfs/dbraw/zinc/28/31/45/306283145.db2.gz VMEUHCCLXUGHDL-QWHCGFSZSA-N 1 0 334.376 1.225 20 5 EDBDRO CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000412836897 304039310 /nfs/dbraw/zinc/03/93/10/304039310.db2.gz JDQUIKVXTDTWSN-GFCCVEGCSA-N 1 0 329.360 1.605 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(CC[NH3+])CC1 ZINC000563275918 306325872 /nfs/dbraw/zinc/32/58/72/306325872.db2.gz QVKLRFIGCUMQBF-UHFFFAOYSA-N 1 0 336.392 1.603 20 5 EDBDRO COc1ccc(NC(=O)C(=O)NCCC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000563478548 306335092 /nfs/dbraw/zinc/33/50/92/306335092.db2.gz FITFPPVJJWRALU-UHFFFAOYSA-N 1 0 338.364 1.046 20 5 EDBDRO Cc1nn(CCC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(C)c1[N+](=O)[O-] ZINC000080715652 138264784 /nfs/dbraw/zinc/26/47/84/138264784.db2.gz QCAWFQSYYLCFCN-GOOCMWNKSA-N 1 0 349.435 1.930 20 5 EDBDRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)CN1 ZINC000125744036 138335875 /nfs/dbraw/zinc/33/58/75/138335875.db2.gz QFLFHZQYXZOPSD-CZUORRHYSA-N 1 0 333.388 1.964 20 5 EDBDRO CCOc1cc(N2CC[N@H+](C)C[C@H](C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000413496126 304063322 /nfs/dbraw/zinc/06/33/22/304063322.db2.gz KBPCMJWNTCHUGD-LBPRGKRZSA-N 1 0 337.376 1.535 20 5 EDBDRO COc1cc(C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000564224381 306357641 /nfs/dbraw/zinc/35/76/41/306357641.db2.gz UOSUCLNTXPKZIS-OAHLLOKOSA-N 1 0 335.404 1.900 20 5 EDBDRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000071312720 202344715 /nfs/dbraw/zinc/34/47/15/202344715.db2.gz NRLSXKAUMBZUNB-SNVBAGLBSA-N 1 0 333.797 1.621 20 5 EDBDRO CN1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000564987815 306372247 /nfs/dbraw/zinc/37/22/47/306372247.db2.gz VMXKSMLSJNZERI-CYBMUJFWSA-N 1 0 334.420 1.607 20 5 EDBDRO Cc1cc(OC[C@@H](O)CN2CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000414120248 304101221 /nfs/dbraw/zinc/10/12/21/304101221.db2.gz BMMUMUQHIMSRHY-LBPRGKRZSA-N 1 0 327.356 1.029 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(=O)n1C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000414153161 304103137 /nfs/dbraw/zinc/10/31/37/304103137.db2.gz YQDVQKUWTWIHSZ-MRXNPFEDSA-N 1 0 343.383 1.484 20 5 EDBDRO CN1CCC([NH+]2CCC(NC(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 ZINC000050802323 201126143 /nfs/dbraw/zinc/12/61/43/201126143.db2.gz PPRRKEXBNAMZFB-UHFFFAOYSA-N 1 0 336.392 1.476 20 5 EDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000565779796 306391594 /nfs/dbraw/zinc/39/15/94/306391594.db2.gz ZJQJCYNIMDAGNE-WDEREUQCSA-N 1 0 331.376 1.851 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423932585 283855539 /nfs/dbraw/zinc/85/55/39/283855539.db2.gz PEAIKNQNMOVQDN-LSDHHAIUSA-N 1 0 341.367 1.845 20 5 EDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000076659662 203361557 /nfs/dbraw/zinc/36/15/57/203361557.db2.gz BOKMXWNAJGEQPM-ZDUSSCGKSA-N 1 0 348.403 1.724 20 5 EDBDRO CCCc1n[nH]c(C(=O)NC2CC[NH+](CCOC)CC2)c1[N+](=O)[O-] ZINC000109620573 204288727 /nfs/dbraw/zinc/28/87/27/204288727.db2.gz GWKHYFDDDRNQRZ-UHFFFAOYSA-N 1 0 339.396 1.111 20 5 EDBDRO CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236773631 139031024 /nfs/dbraw/zinc/03/10/24/139031024.db2.gz ITWLFVOAJNZSLO-HNNXBMFYSA-N 1 0 348.403 1.397 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000237206032 139044386 /nfs/dbraw/zinc/04/43/86/139044386.db2.gz KXPOMYYJIJUXRO-CQSZACIVSA-N 1 0 345.421 1.645 20 5 EDBDRO C[C@H]1C[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000126257681 205049114 /nfs/dbraw/zinc/04/91/14/205049114.db2.gz XPYUMLFKJLWMLN-AAEUAGOBSA-N 1 0 339.417 1.639 20 5 EDBDRO C[NH2+]CCNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000237385661 139049782 /nfs/dbraw/zinc/04/97/82/139049782.db2.gz JJMPIEZQUKBMLD-UHFFFAOYSA-N 1 0 334.298 1.751 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000237474505 139052048 /nfs/dbraw/zinc/05/20/48/139052048.db2.gz DMQMHUVILWZOHN-SECBINFHSA-N 1 0 347.293 1.970 20 5 EDBDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000111220125 220114109 /nfs/dbraw/zinc/11/41/09/220114109.db2.gz NYCONTHCZRUQOX-WCQYABFASA-N 1 0 346.387 1.070 20 5 EDBDRO Cn1cc(C(=O)N2CCC[C@@H]([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000157859644 205266887 /nfs/dbraw/zinc/26/68/87/205266887.db2.gz NEUQBAGJQZGAEQ-GFCCVEGCSA-N 1 0 329.360 1.559 20 5 EDBDRO CNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000111268441 220129922 /nfs/dbraw/zinc/12/99/22/220129922.db2.gz SVTHCWATACOBJL-SWLSCSKDSA-N 1 0 346.387 1.158 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000237611642 139055730 /nfs/dbraw/zinc/05/57/30/139055730.db2.gz VGGXUZNCYJQSCZ-JTQLQIEISA-N 1 0 347.824 1.916 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000237784676 139060210 /nfs/dbraw/zinc/06/02/10/139060210.db2.gz FQTKPBCLBOUKGT-FUNVUKJBSA-N 1 0 339.417 1.773 20 5 EDBDRO O=C(NCCCN1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000237811328 139061074 /nfs/dbraw/zinc/06/10/74/139061074.db2.gz JWTRTLCFIRUFIU-UHFFFAOYSA-N 1 0 326.784 1.273 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC[NH2+]C1CCCCCC1 ZINC000238142799 139069592 /nfs/dbraw/zinc/06/95/92/139069592.db2.gz ZJLVCGRWXNHJOK-UHFFFAOYSA-N 1 0 336.392 1.185 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000415275703 304183539 /nfs/dbraw/zinc/18/35/39/304183539.db2.gz BUNLXLRWBJOPDD-GFCCVEGCSA-N 1 0 334.376 1.300 20 5 EDBDRO Cc1c(NC(=O)C(=O)NCC2([NH3+])CCCCC2)cccc1[N+](=O)[O-] ZINC000415276084 304183603 /nfs/dbraw/zinc/18/36/03/304183603.db2.gz CEQFJUHSHXFUAT-UHFFFAOYSA-N 1 0 334.376 1.620 20 5 EDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000157254769 206125299 /nfs/dbraw/zinc/12/52/99/206125299.db2.gz CEIKNSAYYRKZDW-CJNGLKHVSA-N 1 0 333.388 1.916 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000415282534 304184830 /nfs/dbraw/zinc/18/48/30/304184830.db2.gz MQJQVNNMQDQECU-CYBMUJFWSA-N 1 0 348.403 1.608 20 5 EDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000159113913 206227199 /nfs/dbraw/zinc/22/71/99/206227199.db2.gz YYMHMFPYHOSSNI-INIZCTEOSA-N 1 0 332.360 1.185 20 5 EDBDRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000162069098 206382722 /nfs/dbraw/zinc/38/27/22/206382722.db2.gz JHPOJBDSUITHPO-UHFFFAOYSA-N 1 0 340.767 1.351 20 5 EDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000162289111 206392656 /nfs/dbraw/zinc/39/26/56/206392656.db2.gz DGPYJRHQPDEOEX-YOEHRIQHSA-N 1 0 346.431 1.894 20 5 EDBDRO C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000247295830 139144124 /nfs/dbraw/zinc/14/41/24/139144124.db2.gz FGGGVRFUOQNUQB-MLGOLLRUSA-N 1 0 343.387 1.973 20 5 EDBDRO CN(CC(=O)N1CC[NH2+]CC1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000261626224 139212321 /nfs/dbraw/zinc/21/23/21/139212321.db2.gz CQOIYGJIGQDRIO-UHFFFAOYSA-N 1 0 329.360 1.011 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@](C)(C[NH3+])C2)c1 ZINC000261653392 139214654 /nfs/dbraw/zinc/21/46/54/139214654.db2.gz FFHDTDUBWFTIGD-CYBMUJFWSA-N 1 0 347.824 1.916 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000261991388 139242351 /nfs/dbraw/zinc/24/23/51/139242351.db2.gz SZUDAXPXJNQNSO-AAEUAGOBSA-N 1 0 327.406 1.794 20 5 EDBDRO COC(=O)COc1ccc(CN2C[C@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000262014913 139243952 /nfs/dbraw/zinc/24/39/52/139243952.db2.gz VOFAEDDRLPDZBO-RYUDHWBXSA-N 1 0 337.376 1.329 20 5 EDBDRO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000261983935 139241850 /nfs/dbraw/zinc/24/18/50/139241850.db2.gz RVBYFACZFUEADE-QYJAPNMZSA-N 1 0 325.390 1.498 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000262051237 139246702 /nfs/dbraw/zinc/24/67/02/139246702.db2.gz CVVLDZIYCTTXCR-LERXQTSPSA-N 1 0 325.390 1.343 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000174524205 207027161 /nfs/dbraw/zinc/02/71/61/207027161.db2.gz WHJNEZQTWPWCND-CYBMUJFWSA-N 1 0 335.408 1.585 20 5 EDBDRO Cc1nccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)n1 ZINC000174682993 207045367 /nfs/dbraw/zinc/04/53/67/207045367.db2.gz GRLYWVUWGBHMJS-UHFFFAOYSA-N 1 0 333.373 1.717 20 5 EDBDRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000415548870 251002663 /nfs/dbraw/zinc/00/26/63/251002663.db2.gz IUWFRVDPXYYDPL-UHFFFAOYSA-N 1 0 348.403 1.690 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000415768529 251024010 /nfs/dbraw/zinc/02/40/10/251024010.db2.gz NSDWNSJQOOCJSN-YPMHNXCESA-N 1 0 332.360 1.052 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417173505 251144915 /nfs/dbraw/zinc/14/49/15/251144915.db2.gz GYLXJFHAEQHSNU-KRWDZBQOSA-N 1 0 348.403 1.889 20 5 EDBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418348144 251361805 /nfs/dbraw/zinc/36/18/05/251361805.db2.gz ODXBVTVHWKFICJ-ZDUSSCGKSA-N 1 0 348.403 1.889 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@H]1CCC[NH2+]1 ZINC000262564291 139286888 /nfs/dbraw/zinc/28/68/88/139286888.db2.gz WHGXNDIVACBPLB-SNVBAGLBSA-N 1 0 329.378 1.024 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000177570635 207355475 /nfs/dbraw/zinc/35/54/75/207355475.db2.gz CTSLJVSCKFMMOI-UONOGXRCSA-N 1 0 349.387 1.984 20 5 EDBDRO C[C@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000423948079 252107189 /nfs/dbraw/zinc/10/71/89/252107189.db2.gz JSIJIBGUVSSOBL-KWQFWETISA-N 1 0 347.293 1.955 20 5 EDBDRO COC(=O)c1cc(NC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c(C)c([N+](=O)[O-])c1 ZINC000415604708 304237461 /nfs/dbraw/zinc/23/74/61/304237461.db2.gz VWMIUXBGZFGSTR-LDYMZIIASA-N 1 0 336.348 1.501 20 5 EDBDRO COc1ccc(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)cc1[N+](=O)[O-] ZINC000424193728 252157539 /nfs/dbraw/zinc/15/75/39/252157539.db2.gz RECYHXUJCWHNKP-LLVKDONJSA-N 1 0 346.347 1.372 20 5 EDBDRO CCOc1cc(N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000424410835 252216537 /nfs/dbraw/zinc/21/65/37/252216537.db2.gz JCXYGBWESGPUMN-UONOGXRCSA-N 1 0 331.376 1.658 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000154086141 224200527 /nfs/dbraw/zinc/20/05/27/224200527.db2.gz WIBCOVGWKQBJTP-WCQYABFASA-N 1 0 329.360 1.711 20 5 EDBDRO Cc1nc(N(C)C)nc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000488420636 255043687 /nfs/dbraw/zinc/04/36/87/255043687.db2.gz IVGVGPILUKYIPH-UHFFFAOYSA-N 1 0 343.391 1.481 20 5 EDBDRO C[N@@H+](Cc1cccc2[nH]ccc21)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000493997928 255230547 /nfs/dbraw/zinc/23/05/47/255230547.db2.gz BQMNHGVYNAKWGH-AWEZNQCLSA-N 1 0 329.360 1.766 20 5 EDBDRO C[C@H]1OCC[C@]1(C)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000494269670 255243800 /nfs/dbraw/zinc/24/38/00/255243800.db2.gz AMFNMZGMEZVESM-PSLIRLAXSA-N 1 0 337.332 1.419 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000264152494 139383293 /nfs/dbraw/zinc/38/32/93/139383293.db2.gz LGNNUFNRRSWMLY-CQSZACIVSA-N 1 0 343.387 1.947 20 5 EDBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184306142 533583271 /nfs/dbraw/zinc/58/32/71/533583271.db2.gz SXSMPWMJSNYGMG-AWEZNQCLSA-N 1 0 334.420 1.280 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000267189662 139588065 /nfs/dbraw/zinc/58/80/65/139588065.db2.gz HAYRYZHAFDIILN-SNVBAGLBSA-N 1 0 330.410 1.384 20 5 EDBDRO CS[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH+](C)C ZINC000270406101 140094292 /nfs/dbraw/zinc/09/42/92/140094292.db2.gz ADJUAMPZKMRWQO-STQMWFEESA-N 1 0 349.416 1.589 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCc2cccc(OCC[NH+](C)C)c2)n1 ZINC000271100515 140236455 /nfs/dbraw/zinc/23/64/55/140236455.db2.gz KARUODZMMUAJNC-UHFFFAOYSA-N 1 0 347.375 1.199 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CC3CCCC3)CC2)n1 ZINC000271329867 140279734 /nfs/dbraw/zinc/27/97/34/140279734.db2.gz ATDRZPOJKMJIQV-UHFFFAOYSA-N 1 0 335.408 1.713 20 5 EDBDRO CC1(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[NH2+]CC1 ZINC000272929400 140533190 /nfs/dbraw/zinc/53/31/90/140533190.db2.gz ALWCEXTVAQFIRZ-UHFFFAOYSA-N 1 0 325.340 1.619 20 5 EDBDRO Cn1cc([C@H]2CCCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000331400490 141017395 /nfs/dbraw/zinc/01/73/95/141017395.db2.gz DCEIJTINXQDKET-LSDHHAIUSA-N 1 0 334.380 1.113 20 5 EDBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331663271 141064128 /nfs/dbraw/zinc/06/41/28/141064128.db2.gz NXPCVSXEGFBGGX-BETUJISGSA-N 1 0 335.408 1.828 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000332242441 141145738 /nfs/dbraw/zinc/14/57/38/141145738.db2.gz VSNNHGZVTKQMFL-HZPDHXFCSA-N 1 0 333.388 1.757 20 5 EDBDRO CC1(C)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000340235596 142315268 /nfs/dbraw/zinc/31/52/68/142315268.db2.gz HQLCBKRCMFZEJR-OAHLLOKOSA-N 1 0 330.388 1.946 20 5 EDBDRO CNC(=O)CN1CCC([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000344790874 143012194 /nfs/dbraw/zinc/01/21/94/143012194.db2.gz JZCZUUILCATFGT-UVTDQMKNSA-N 1 0 346.431 1.798 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000345124838 143053548 /nfs/dbraw/zinc/05/35/48/143053548.db2.gz GHYOKMWBADIFPK-GFCCVEGCSA-N 1 0 346.387 1.604 20 5 EDBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346205708 143178863 /nfs/dbraw/zinc/17/88/63/143178863.db2.gz VHNWLWXIKLGVCZ-GMXVVIOVSA-N 1 0 334.376 1.498 20 5 EDBDRO CC[C@H](CO)[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000347352168 143311923 /nfs/dbraw/zinc/31/19/23/143311923.db2.gz SDXMPYNKOXIDOO-NVXWUHKLSA-N 1 0 348.403 1.425 20 5 EDBDRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000416496878 304325314 /nfs/dbraw/zinc/32/53/14/304325314.db2.gz RBIULYHHMIZZGA-SECBINFHSA-N 1 0 333.797 1.478 20 5 EDBDRO COC(=O)COc1ccc(CN2C[C@@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000355606047 150333392 /nfs/dbraw/zinc/33/33/92/150333392.db2.gz KQRXXAMQOYWGNJ-VXGBXAGGSA-N 1 0 338.360 1.756 20 5 EDBDRO COC(=O)COc1ccc(CN2C[C@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000355606044 150333604 /nfs/dbraw/zinc/33/36/04/150333604.db2.gz KQRXXAMQOYWGNJ-NEPJUHHUSA-N 1 0 338.360 1.756 20 5 EDBDRO Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)n1 ZINC000370026067 155286994 /nfs/dbraw/zinc/28/69/94/155286994.db2.gz IECHXSMUIUBQOT-CQSZACIVSA-N 1 0 333.396 1.554 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000358270064 151322336 /nfs/dbraw/zinc/32/23/36/151322336.db2.gz VXWGAZQJCYWXEW-NILFDRSVSA-N 1 0 348.403 1.816 20 5 EDBDRO C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N(C)c1ccccc1 ZINC000573834116 306636591 /nfs/dbraw/zinc/63/65/91/306636591.db2.gz MFPCIDBCWPXEGV-CZUORRHYSA-N 1 0 333.392 1.267 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000360593731 152112735 /nfs/dbraw/zinc/11/27/35/152112735.db2.gz AAELSYJCVBXVAQ-GFCCVEGCSA-N 1 0 339.417 1.666 20 5 EDBDRO C[C@@H]1C[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000360664174 152144739 /nfs/dbraw/zinc/14/47/39/152144739.db2.gz GECMQQXPVWPRHM-YPMHNXCESA-N 1 0 327.406 1.497 20 5 EDBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC[N@@H+]1C ZINC000361083734 152297722 /nfs/dbraw/zinc/29/77/22/152297722.db2.gz QILXOVAMTLDELU-UWVGGRQHSA-N 1 0 328.394 1.137 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000362559855 152743774 /nfs/dbraw/zinc/74/37/74/152743774.db2.gz LSCRKCZJPZCYFW-SNVBAGLBSA-N 1 0 345.359 1.333 20 5 EDBDRO O=C(CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000363721010 153039302 /nfs/dbraw/zinc/03/93/02/153039302.db2.gz KRZMGQWFEPSMMT-JKSUJKDBSA-N 1 0 348.403 1.064 20 5 EDBDRO CN(c1ncc([N+](=O)[O-])cn1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000363888915 153086347 /nfs/dbraw/zinc/08/63/47/153086347.db2.gz RBGCMILSKYFEBS-UHFFFAOYSA-N 1 0 342.403 1.923 20 5 EDBDRO [NH3+][C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1c1ccc(F)cc1 ZINC000364206017 153172483 /nfs/dbraw/zinc/17/24/83/153172483.db2.gz LKZSOUBJHPWVIY-HUUCEWRRSA-N 1 0 347.350 1.274 20 5 EDBDRO Cc1csc(=O)n1CC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364327451 153205949 /nfs/dbraw/zinc/20/59/49/153205949.db2.gz JQSKSGIWWYBIRN-LBPRGKRZSA-N 1 0 337.405 1.660 20 5 EDBDRO COc1ccc(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417193948 304383231 /nfs/dbraw/zinc/38/32/31/304383231.db2.gz POHQFHLKTAWKDK-ZDUSSCGKSA-N 1 0 334.376 1.639 20 5 EDBDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000364589581 153279737 /nfs/dbraw/zinc/27/97/37/153279737.db2.gz FHLMFMBAXFKKJH-UHFFFAOYSA-N 1 0 327.406 1.575 20 5 EDBDRO COc1ccc(CNC(=O)NCC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000417199398 304383726 /nfs/dbraw/zinc/38/37/26/304383726.db2.gz YBMOXBWCHGKCSI-LBPRGKRZSA-N 1 0 336.392 1.792 20 5 EDBDRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000367372909 154092808 /nfs/dbraw/zinc/09/28/08/154092808.db2.gz VPCZMCTWTFWQHS-UHFFFAOYSA-N 1 0 343.299 1.796 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)n1 ZINC000367551242 154170784 /nfs/dbraw/zinc/17/07/84/154170784.db2.gz YNYCDGXYADYFRI-YGRLFVJLSA-N 1 0 349.416 1.813 20 5 EDBDRO O=C(CC[N@@H+]1CC[C@@]2(CNC(=O)C2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000369374998 155002046 /nfs/dbraw/zinc/00/20/46/155002046.db2.gz MLAWOCONHGYCEC-MRXNPFEDSA-N 1 0 332.360 1.135 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000372368745 156355421 /nfs/dbraw/zinc/35/54/21/156355421.db2.gz PGMXDYCRXLATMJ-CQSZACIVSA-N 1 0 344.375 1.770 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000373867443 157041092 /nfs/dbraw/zinc/04/10/92/157041092.db2.gz AEQJUFSXNUZRQY-AWEZNQCLSA-N 1 0 335.408 1.705 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@H]2O)c1 ZINC000374066001 157128154 /nfs/dbraw/zinc/12/81/54/157128154.db2.gz DDTIUJBDFJXIMA-QBPKDAKJSA-N 1 0 336.388 1.490 20 5 EDBDRO [NH2+]=C(NO)[C@H]1CCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000374172301 157177967 /nfs/dbraw/zinc/17/79/67/157177967.db2.gz HRGUTSSUGJOCOG-TZMCWYRMSA-N 1 0 338.364 1.145 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000374178426 157181991 /nfs/dbraw/zinc/18/19/91/157181991.db2.gz PFSSLJVHWODSJL-SNVBAGLBSA-N 1 0 347.824 1.977 20 5 EDBDRO COc1ccc(OCCN2CCN3C(=O)OC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000374561898 157329342 /nfs/dbraw/zinc/32/93/42/157329342.db2.gz TZOJDIZQQOSCQG-LLVKDONJSA-N 1 0 337.332 1.119 20 5 EDBDRO Cc1ccc(CN2CCO[C@H](CN3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000378351009 158148559 /nfs/dbraw/zinc/14/85/59/158148559.db2.gz QSUZQXJDCGXVAT-QGZVFWFLSA-N 1 0 348.447 1.351 20 5 EDBDRO C[C@@H]1CN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000266208572 296814044 /nfs/dbraw/zinc/81/40/44/296814044.db2.gz PQLVXEGEFIYXES-BXUZGUMPSA-N 1 0 335.360 1.195 20 5 EDBDRO C[C@H](NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418226185 304466771 /nfs/dbraw/zinc/46/67/71/304466771.db2.gz AQIFZYDQDWYEQC-BBRMVZONSA-N 1 0 347.419 1.345 20 5 EDBDRO CC[C@H]([NH3+])C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000236942376 267921414 /nfs/dbraw/zinc/92/14/14/267921414.db2.gz PMJVINAATJNZCN-QWHCGFSZSA-N 1 0 337.376 1.831 20 5 EDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000274780582 268204497 /nfs/dbraw/zinc/20/44/97/268204497.db2.gz LHIOEBYFDPTJJU-JQWIXIFHSA-N 1 0 325.390 1.262 20 5 EDBDRO C[NH+](C)CCOc1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000274942010 268245216 /nfs/dbraw/zinc/24/52/16/268245216.db2.gz GIVMEAAHLADUGP-UHFFFAOYSA-N 1 0 346.343 1.888 20 5 EDBDRO O=c1[nH]ccnc1N1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000275528799 268355286 /nfs/dbraw/zinc/35/52/86/268355286.db2.gz LQXZSIRGSWUFDI-ZDUSSCGKSA-N 1 0 329.360 1.849 20 5 EDBDRO C[NH+](C)C1(CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CCC1 ZINC000275692477 268369215 /nfs/dbraw/zinc/36/92/15/268369215.db2.gz AULCMBBISDWMBR-UHFFFAOYSA-N 1 0 335.360 1.387 20 5 EDBDRO CN(Cc1nccc(N)n1)[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000275896358 268383039 /nfs/dbraw/zinc/38/30/39/268383039.db2.gz ZYDIFOPTVCWFKM-AWEZNQCLSA-N 1 0 342.403 1.673 20 5 EDBDRO Cc1nn(C)c(-c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)c1[N+](=O)[O-] ZINC000274146243 273072376 /nfs/dbraw/zinc/07/23/76/273072376.db2.gz YNDBNFNPPHCJSW-UWVGGRQHSA-N 1 0 334.336 1.222 20 5 EDBDRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000274521819 273093054 /nfs/dbraw/zinc/09/30/54/273093054.db2.gz WWVHFCCSBTUISR-LBPRGKRZSA-N 1 0 337.380 1.941 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000276215771 273153656 /nfs/dbraw/zinc/15/36/56/273153656.db2.gz WPLIDPFHJLCKTL-GFCCVEGCSA-N 1 0 346.387 1.608 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N(C)C[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000277026342 273177749 /nfs/dbraw/zinc/17/77/49/273177749.db2.gz IJVFTNCNHSDUDQ-ZDUSSCGKSA-N 1 0 341.433 1.784 20 5 EDBDRO COc1cc(C[NH2+]CC2(N3CCOCC3)CC2)c([N+](=O)[O-])cc1O ZINC000277517815 273203546 /nfs/dbraw/zinc/20/35/46/273203546.db2.gz SFLUCGLXEQHYIP-UHFFFAOYSA-N 1 0 337.376 1.263 20 5 EDBDRO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](O)COc1ccccc1 ZINC000277681218 273216045 /nfs/dbraw/zinc/21/60/45/273216045.db2.gz BBFUBXVAJYYCOO-OAHLLOKOSA-N 1 0 348.403 1.942 20 5 EDBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279809347 273328852 /nfs/dbraw/zinc/32/88/52/273328852.db2.gz PRWFPFNZLZQVGN-KKUMJFAQSA-N 1 0 338.404 1.960 20 5 EDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000374632054 273821660 /nfs/dbraw/zinc/82/16/60/273821660.db2.gz PRNMDRVJIUBJQG-NILFDRSVSA-N 1 0 332.404 1.860 20 5 EDBDRO C[C@@H](CO)[N@@H+]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000364611164 274227431 /nfs/dbraw/zinc/22/74/31/274227431.db2.gz YVVAAXWVMLEWLZ-JTQLQIEISA-N 1 0 348.325 1.902 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC(=O)N[C@H]1c1ccnn1C ZINC000284678270 274290853 /nfs/dbraw/zinc/29/08/53/274290853.db2.gz XCBYSAADQZNGRE-RHSMWYFYSA-N 1 0 343.387 1.746 20 5 EDBDRO O=C1C[C@H](c2ccccc2)[N@H+](CCn2cc([N+](=O)[O-])cn2)CCN1 ZINC000174831149 275020992 /nfs/dbraw/zinc/02/09/92/275020992.db2.gz DDYBUIFMRNFGKT-OAHLLOKOSA-N 1 0 329.360 1.355 20 5 EDBDRO O=C1[C@H](N2CC[N@@H+]3CCCC[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000248369438 275029585 /nfs/dbraw/zinc/02/95/85/275029585.db2.gz WGTRCVXMDYQEJQ-DLBZAZTESA-N 1 0 344.415 1.870 20 5 EDBDRO CC1(C)C[C@@H]([NH2+]CC(=O)N2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279089932 275859906 /nfs/dbraw/zinc/85/99/06/275859906.db2.gz NGVVLFUEWGZXBI-OAHLLOKOSA-N 1 0 333.388 1.766 20 5 EDBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC000286033647 287919722 /nfs/dbraw/zinc/91/97/22/287919722.db2.gz QLYJLLCVANUWFB-UHFFFAOYSA-N 1 0 333.348 1.901 20 5 EDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000252656857 277181466 /nfs/dbraw/zinc/18/14/66/277181466.db2.gz WGQNLPPAECIXTI-ZFWWWQNUSA-N 1 0 332.404 1.949 20 5 EDBDRO C[NH2+][C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000422766293 277300104 /nfs/dbraw/zinc/30/01/04/277300104.db2.gz LTPFYWFWTRJDTL-ZDUSSCGKSA-N 1 0 348.403 1.255 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc([N+](=O)[O-])c1OC ZINC000286193322 287957019 /nfs/dbraw/zinc/95/70/19/287957019.db2.gz RXJWBJGNZYDNTC-ISTVAULSSA-N 1 0 337.376 1.728 20 5 EDBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286867792 288108184 /nfs/dbraw/zinc/10/81/84/288108184.db2.gz YODBJSULNXRYRZ-UHFFFAOYSA-N 1 0 333.348 1.228 20 5 EDBDRO C[C@H]([NH3+])C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000195129104 279392591 /nfs/dbraw/zinc/39/25/91/279392591.db2.gz COJNTEBBSBGQAX-VIFPVBQESA-N 1 0 346.309 1.609 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000287029416 288141316 /nfs/dbraw/zinc/14/13/16/288141316.db2.gz IGQHQQVWSURINA-JSGCOSHPSA-N 1 0 335.408 1.575 20 5 EDBDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000289755813 288773812 /nfs/dbraw/zinc/77/38/12/288773812.db2.gz WQHCVRVREYUPFT-IAGOWNOFSA-N 1 0 346.431 1.878 20 5 EDBDRO COc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000292576046 289385639 /nfs/dbraw/zinc/38/56/39/289385639.db2.gz JARQNZWZRRFLCE-SNVBAGLBSA-N 1 0 331.394 1.079 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000246078850 300220183 /nfs/dbraw/zinc/22/01/83/300220183.db2.gz FPLVFRYDYNLLED-NWDGAFQWSA-N 1 0 327.406 1.556 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000419757910 304680925 /nfs/dbraw/zinc/68/09/25/304680925.db2.gz JLMQEKJGWBPLHJ-GXTWGEPZSA-N 1 0 348.403 1.153 20 5 EDBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000420277814 304742448 /nfs/dbraw/zinc/74/24/48/304742448.db2.gz IWTFQGLEUNPDAN-YPMHNXCESA-N 1 0 326.784 1.976 20 5 EDBDRO COc1cc(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420467172 304761868 /nfs/dbraw/zinc/76/18/68/304761868.db2.gz NCMUCEHAMGADDU-WDEREUQCSA-N 1 0 343.405 1.399 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000268799336 302043493 /nfs/dbraw/zinc/04/34/93/302043493.db2.gz OVNMMYCOAPZWEB-LBPRGKRZSA-N 1 0 327.406 1.618 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000262496155 302044951 /nfs/dbraw/zinc/04/49/51/302044951.db2.gz LMEXJJHFPFCJSE-NEPJUHHUSA-N 1 0 325.390 1.133 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000160172524 302920884 /nfs/dbraw/zinc/92/08/84/302920884.db2.gz HWTMPDKYJCYTMX-NXEZZACHSA-N 1 0 329.378 1.104 20 5 EDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493420393 447325586 /nfs/dbraw/zinc/32/55/86/447325586.db2.gz NZXHYKPHJHKZGQ-YOIVVXPQSA-N 1 0 333.388 1.522 20 5 EDBDRO COCCOC[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000295609537 303241489 /nfs/dbraw/zinc/24/14/89/303241489.db2.gz VFIZXIUQWMMJTL-MRXNPFEDSA-N 1 0 326.393 1.829 20 5 EDBDRO CC1(C)C[C@@H](O)CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000295964280 303286896 /nfs/dbraw/zinc/28/68/96/303286896.db2.gz HYNGFTSQEOQEMJ-KBPBESRZSA-N 1 0 338.404 1.817 20 5 EDBDRO C[C@H](NC(=O)NCC[N@@H+]1CCCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000297165043 303367171 /nfs/dbraw/zinc/36/71/71/303367171.db2.gz RUDSSAICLBEVGZ-ZDUSSCGKSA-N 1 0 336.392 1.677 20 5 EDBDRO C[N@H+](CCNC(=O)OC(C)(C)C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000297355549 303389227 /nfs/dbraw/zinc/38/92/27/303389227.db2.gz GIHVESXOVDUVNU-UHFFFAOYSA-N 1 0 340.380 1.213 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429235772 305026108 /nfs/dbraw/zinc/02/61/08/305026108.db2.gz RSOVOYIKSVPZQV-UONOGXRCSA-N 1 0 344.367 1.797 20 5 EDBDRO C[C@@H]1CC[C@@H]([N@H+](CCO)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000429785002 305037136 /nfs/dbraw/zinc/03/71/36/305037136.db2.gz KDTMEASQNLJFTE-IIAWOOMASA-N 1 0 338.404 1.817 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CC(C)(C)C[NH3+] ZINC000430575763 305056695 /nfs/dbraw/zinc/05/66/95/305056695.db2.gz RMCJEVNTDCEGTE-NSHDSACASA-N 1 0 338.408 1.847 20 5 EDBDRO CCOc1ccc(NC(=O)CN(C)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000430599920 305057943 /nfs/dbraw/zinc/05/79/43/305057943.db2.gz GUMPCKJQCRGVCS-UHFFFAOYSA-N 1 0 336.392 1.616 20 5 EDBDRO COC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000434781431 305129903 /nfs/dbraw/zinc/12/99/03/305129903.db2.gz CAZYYSIVTBFOIF-KCQAQPDRSA-N 1 0 340.376 1.118 20 5 EDBDRO COc1cc(CN2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435375711 305139279 /nfs/dbraw/zinc/13/92/79/305139279.db2.gz NTUFSJUHGMYAMN-SNVBAGLBSA-N 1 0 331.319 1.780 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NCC[N@@H+]1CCCOCC1 ZINC000438676809 305188074 /nfs/dbraw/zinc/18/80/74/305188074.db2.gz FHOAKKXBAMMHLJ-UHFFFAOYSA-N 1 0 325.340 1.115 20 5 EDBDRO Cc1c(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000439597424 305200742 /nfs/dbraw/zinc/20/07/42/305200742.db2.gz UQDHDZOYEKZXAQ-ZDUSSCGKSA-N 1 0 346.387 1.537 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000440856345 305213462 /nfs/dbraw/zinc/21/34/62/305213462.db2.gz HBPCUWPHMDPBTP-IUCAKERBSA-N 1 0 347.368 1.291 20 5 EDBDRO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000444362440 305246899 /nfs/dbraw/zinc/24/68/99/305246899.db2.gz GDYSAZBFAOUDBY-CYBMUJFWSA-N 1 0 335.404 1.441 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C ZINC000445127875 305256916 /nfs/dbraw/zinc/25/69/16/305256916.db2.gz DGPUXFQGASEFMM-GHMZBOCLSA-N 1 0 346.391 1.753 20 5 EDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000447259633 305276501 /nfs/dbraw/zinc/27/65/01/305276501.db2.gz YUCNFJMGWWDFDE-HMKSTLMESA-N 1 0 345.446 1.841 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448797472 305302025 /nfs/dbraw/zinc/30/20/25/305302025.db2.gz SXQGLRZGJSLLCR-CYBMUJFWSA-N 1 0 341.371 1.747 20 5 EDBDRO C[NH+](C)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448942613 305305128 /nfs/dbraw/zinc/30/51/28/305305128.db2.gz SLAJEEGDCMDKQH-UHFFFAOYSA-N 1 0 343.387 1.947 20 5 EDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCC[C@@H]1C(N)=O ZINC000449119991 305307225 /nfs/dbraw/zinc/30/72/25/305307225.db2.gz BOZXIQZRJLFDCC-CZUORRHYSA-N 1 0 334.420 1.455 20 5 EDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000449704236 305317622 /nfs/dbraw/zinc/31/76/22/305317622.db2.gz YBTIVLWWROLEHS-CQSZACIVSA-N 1 0 348.403 1.219 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451341784 305340348 /nfs/dbraw/zinc/34/03/48/305340348.db2.gz LVKUEAAMKSSYDX-BZUAXINKSA-N 1 0 335.404 1.772 20 5 EDBDRO CC[C@H]1C[N@H+](CC)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000451737271 305366025 /nfs/dbraw/zinc/36/60/25/305366025.db2.gz GOVAYSQVEJNPDY-LSDHHAIUSA-N 1 0 337.420 1.751 20 5 EDBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H]2COCC2(C)C)c([N+](=O)[O-])c1 ZINC000451808835 305370437 /nfs/dbraw/zinc/37/04/37/305370437.db2.gz KRQVLDVLZARICR-YGRLFVJLSA-N 1 0 337.376 1.945 20 5 EDBDRO COc1cc(CNC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414906026 447352260 /nfs/dbraw/zinc/35/22/60/447352260.db2.gz LSFDYGKVLJCJGR-SNVBAGLBSA-N 1 0 345.346 1.946 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000521005422 305784336 /nfs/dbraw/zinc/78/43/36/305784336.db2.gz ZDIPGMQIGFGVOG-QWHCGFSZSA-N 1 0 336.392 1.790 20 5 EDBDRO CNc1ccc(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000535016749 306010686 /nfs/dbraw/zinc/01/06/86/306010686.db2.gz FSKVLOHQICQTFV-KGLIPLIRSA-N 1 0 338.433 1.754 20 5 EDBDRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000537059301 306025758 /nfs/dbraw/zinc/02/57/58/306025758.db2.gz AGTNXYBGPOWYLO-LSDHHAIUSA-N 1 0 342.417 1.919 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H](C)[NH+]2CCCC2)c1 ZINC000548698180 306135590 /nfs/dbraw/zinc/13/55/90/306135590.db2.gz ZXFQNKVHJUFWDF-LBPRGKRZSA-N 1 0 341.433 1.974 20 5 EDBDRO C[N@@H+]1CCN(CCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000493702934 447374508 /nfs/dbraw/zinc/37/45/08/447374508.db2.gz CXOVXOVLHJPBIN-BQYQJAHWSA-N 1 0 346.431 1.750 20 5 EDBDRO CC[NH+]1CCC(NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000044019109 440816886 /nfs/dbraw/zinc/81/68/86/440816886.db2.gz RMJGPOGDTCXWNO-GFCCVEGCSA-N 1 0 348.403 1.314 20 5 EDBDRO COc1ccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000081033892 441224011 /nfs/dbraw/zinc/22/40/11/441224011.db2.gz CYTXQIBJVIORRK-UHFFFAOYSA-N 1 0 349.387 1.540 20 5 EDBDRO O=C(CC[N@H+]1CC[C@](O)(C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000081047800 441226388 /nfs/dbraw/zinc/22/63/88/441226388.db2.gz NGJUEJUHBHFGSO-CYBMUJFWSA-N 1 0 347.293 1.923 20 5 EDBDRO CCCCNC(=O)CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664934 441247907 /nfs/dbraw/zinc/24/79/07/441247907.db2.gz WGOGEXPIDDKETQ-ZDUSSCGKSA-N 1 0 335.408 1.782 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000063465551 441330354 /nfs/dbraw/zinc/33/03/54/441330354.db2.gz VYKRQOLMOFLGNL-HNNXBMFYSA-N 1 0 343.387 1.995 20 5 EDBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)Cn2ccc([N+](=O)[O-])n2)o1 ZINC000063497695 441333291 /nfs/dbraw/zinc/33/32/91/441333291.db2.gz JDKDFYGHJLSFDJ-UHFFFAOYSA-N 1 0 335.364 1.283 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000050204195 441378541 /nfs/dbraw/zinc/37/85/41/441378541.db2.gz BMEMGMYOSIVKJE-CQSZACIVSA-N 1 0 346.387 1.538 20 5 EDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000063831082 441357144 /nfs/dbraw/zinc/35/71/44/441357144.db2.gz LQRGXSWIFAUSIO-OKILXGFUSA-N 1 0 337.424 1.666 20 5 EDBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)C2)CC1 ZINC000106803312 441373399 /nfs/dbraw/zinc/37/33/99/441373399.db2.gz UIHKWEKEDJDABJ-HNNXBMFYSA-N 1 0 346.431 1.755 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108619704 441470674 /nfs/dbraw/zinc/47/06/74/441470674.db2.gz BFDPCVZQXHSPFT-CYBMUJFWSA-N 1 0 332.360 1.134 20 5 EDBDRO Cc1cc(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)ncc1[N+](=O)[O-] ZINC000074748920 441462972 /nfs/dbraw/zinc/46/29/72/441462972.db2.gz ZUADQGPFASZITC-HNNXBMFYSA-N 1 0 333.436 1.905 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000032072980 441544790 /nfs/dbraw/zinc/54/47/90/441544790.db2.gz XEAKUFVKOTZKML-LLVKDONJSA-N 1 0 329.422 1.912 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000066050746 441501557 /nfs/dbraw/zinc/50/15/57/441501557.db2.gz SSIZYTHONKUUSI-GFCCVEGCSA-N 1 0 337.424 1.726 20 5 EDBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000090015339 441614679 /nfs/dbraw/zinc/61/46/79/441614679.db2.gz DPZFCOAYTVIJJJ-LLVKDONJSA-N 1 0 329.422 1.897 20 5 EDBDRO Cc1csc(N2CCC([NH2+]CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000090538498 441633722 /nfs/dbraw/zinc/63/37/22/441633722.db2.gz SVFMAXAEJVNOAC-UHFFFAOYSA-N 1 0 336.421 1.815 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000042008209 441693487 /nfs/dbraw/zinc/69/34/87/441693487.db2.gz SXZSZONZOOKPFX-LLVKDONJSA-N 1 0 345.421 1.612 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000068037464 441716161 /nfs/dbraw/zinc/71/61/61/441716161.db2.gz VUARUSPGMMFGLX-UHFFFAOYSA-N 1 0 327.406 1.618 20 5 EDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000068279590 441767413 /nfs/dbraw/zinc/76/74/13/441767413.db2.gz BVVLKACNAPIZPP-CYBMUJFWSA-N 1 0 349.387 1.634 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000160165197 441863282 /nfs/dbraw/zinc/86/32/82/441863282.db2.gz DJGAWYYIBXGVCN-AWEZNQCLSA-N 1 0 345.421 1.645 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000139998922 441831137 /nfs/dbraw/zinc/83/11/37/441831137.db2.gz WNLAMHVTTMMRPE-HIFRSBDPSA-N 1 0 332.404 1.949 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000122397835 441849013 /nfs/dbraw/zinc/84/90/13/441849013.db2.gz JNCLPBPARSLTQO-LBPRGKRZSA-N 1 0 348.403 1.690 20 5 EDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000141697223 441854937 /nfs/dbraw/zinc/85/49/37/441854937.db2.gz NFRWNKXRELOVGI-LBPRGKRZSA-N 1 0 329.360 1.781 20 5 EDBDRO C[NH+](C)CCOc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000123978251 441904352 /nfs/dbraw/zinc/90/43/52/441904352.db2.gz SAPLWJKVMKIWQZ-UHFFFAOYSA-N 1 0 344.371 1.860 20 5 EDBDRO C[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC000174392364 441921939 /nfs/dbraw/zinc/92/19/39/441921939.db2.gz BNOJLMCSSQZJSR-AWEZNQCLSA-N 1 0 349.435 1.278 20 5 EDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118105193 441887369 /nfs/dbraw/zinc/88/73/69/441887369.db2.gz UHNPZVCRSCOQGV-JTQLQIEISA-N 1 0 340.767 1.397 20 5 EDBDRO C[C@H]1C[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])o2)C[C@H](C)O1 ZINC000123679024 441894831 /nfs/dbraw/zinc/89/48/31/441894831.db2.gz DEEBJWASRQWVAY-RYUDHWBXSA-N 1 0 325.365 1.807 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174183989 441899643 /nfs/dbraw/zinc/89/96/43/441899643.db2.gz HHWFZODNORRPOH-OAHLLOKOSA-N 1 0 346.387 1.759 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000069528914 441965638 /nfs/dbraw/zinc/96/56/38/441965638.db2.gz BMGSZZUMXUNYPM-ZDUSSCGKSA-N 1 0 337.376 1.444 20 5 EDBDRO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000120545396 442092682 /nfs/dbraw/zinc/09/26/82/442092682.db2.gz USTZXFGWYQXTHN-LBPRGKRZSA-N 1 0 345.359 1.875 20 5 EDBDRO COC1CC[NH+](CCNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000079685192 442076963 /nfs/dbraw/zinc/07/69/63/442076963.db2.gz PYIPGKKRFXMIHN-UHFFFAOYSA-N 1 0 337.376 1.201 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000162674881 442114013 /nfs/dbraw/zinc/11/40/13/442114013.db2.gz MDMJZERKFMDGED-VXGBXAGGSA-N 1 0 337.376 1.947 20 5 EDBDRO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc2c(c1)OCO2 ZINC000176246054 442199924 /nfs/dbraw/zinc/19/99/24/442199924.db2.gz WTHCLOZIFKCSNG-UHFFFAOYSA-N 1 0 348.359 1.669 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000152670025 442236088 /nfs/dbraw/zinc/23/60/88/442236088.db2.gz XKKIIYGHPSMLHD-GFCCVEGCSA-N 1 0 335.408 1.575 20 5 EDBDRO O=C(NCC[C@H]1CCC[NH2+]C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000152777068 442243242 /nfs/dbraw/zinc/24/32/42/442243242.db2.gz GJAGOIOYIZZIKW-GFCCVEGCSA-N 1 0 344.375 1.295 20 5 EDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000152840671 442246678 /nfs/dbraw/zinc/24/66/78/442246678.db2.gz OCJADJCMZBONCE-KEDPEKRHSA-N 1 0 325.340 1.176 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NCC2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000129026495 442299034 /nfs/dbraw/zinc/29/90/34/442299034.db2.gz CBRWFXYWCACLRG-UHFFFAOYSA-N 1 0 349.387 1.843 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000155015815 442370565 /nfs/dbraw/zinc/37/05/65/442370565.db2.gz FJAHWASLMRWNOH-UHFFFAOYSA-N 1 0 335.408 1.727 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178093365 442407596 /nfs/dbraw/zinc/40/75/96/442407596.db2.gz PRYVMFLFDGYCPJ-AWEZNQCLSA-N 1 0 349.387 1.154 20 5 EDBDRO CC(C)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000155574366 442409345 /nfs/dbraw/zinc/40/93/45/442409345.db2.gz ZBQNPCXYCAFXAO-UHFFFAOYSA-N 1 0 335.813 1.867 20 5 EDBDRO COc1cc(S(=O)(=O)NCC[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000155583904 442410340 /nfs/dbraw/zinc/41/03/40/442410340.db2.gz VCEFJLHBFHGIGK-UHFFFAOYSA-N 1 0 331.394 1.222 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@@H+](C)C(C)C)cc1C ZINC000155626779 442414124 /nfs/dbraw/zinc/41/41/24/442414124.db2.gz XODZZHDTCLYFQK-UHFFFAOYSA-N 1 0 329.422 1.830 20 5 EDBDRO O=C(CC[N@H+]1CCC[C@H](OCCO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000172298246 442438283 /nfs/dbraw/zinc/43/82/83/442438283.db2.gz CWVQMIHEPZQBDM-HNNXBMFYSA-N 1 0 337.376 1.397 20 5 EDBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000178593648 442446189 /nfs/dbraw/zinc/44/61/89/442446189.db2.gz ZWECTYPMPZIVJM-ZDUSSCGKSA-N 1 0 329.360 1.605 20 5 EDBDRO C[NH+]1CCN(CCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134511001 442488661 /nfs/dbraw/zinc/48/86/61/442488661.db2.gz APPSCVYZRZCUKB-UHFFFAOYSA-N 1 0 340.811 1.616 20 5 EDBDRO CCN1CCO[C@@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000156881021 442529247 /nfs/dbraw/zinc/52/92/47/442529247.db2.gz BDVSTCRUKPNZCE-MRXNPFEDSA-N 1 0 333.388 1.807 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000173022159 442588087 /nfs/dbraw/zinc/58/80/87/442588087.db2.gz JFSKNJAJNADRLT-VIFPVBQESA-N 1 0 331.419 1.419 20 5 EDBDRO CCO[C@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(CC)CC ZINC000187052340 442649657 /nfs/dbraw/zinc/64/96/57/442649657.db2.gz KBRUJUHTGHICGA-KKUMJFAQSA-N 1 0 340.424 1.726 20 5 EDBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000187139193 442655092 /nfs/dbraw/zinc/65/50/92/442655092.db2.gz QYMNEDDFTITTOX-GFCCVEGCSA-N 1 0 334.376 1.643 20 5 EDBDRO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)[NH+](C)C)cc1 ZINC000180550756 442620979 /nfs/dbraw/zinc/62/09/79/442620979.db2.gz KQNKYIQNARBHRN-OAHLLOKOSA-N 1 0 343.387 1.913 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)C[C@@H]12 ZINC000186942563 442633262 /nfs/dbraw/zinc/63/32/62/442633262.db2.gz CJZKBWGTDUXSLT-JHJVBQTASA-N 1 0 341.371 1.590 20 5 EDBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180840391 442663982 /nfs/dbraw/zinc/66/39/82/442663982.db2.gz WSFLRCHPSMXSRD-JTQLQIEISA-N 1 0 333.344 1.538 20 5 EDBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000182092993 442734925 /nfs/dbraw/zinc/73/49/25/442734925.db2.gz KNOFHZIEXHUAFU-LBPRGKRZSA-N 1 0 347.371 1.881 20 5 EDBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000188483595 442755017 /nfs/dbraw/zinc/75/50/17/442755017.db2.gz GXTHWECYCQSIQL-UHFFFAOYSA-N 1 0 334.376 1.643 20 5 EDBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000193574781 442755270 /nfs/dbraw/zinc/75/52/70/442755270.db2.gz XDPLUPXYTAQMQI-YMTOWFKASA-N 1 0 338.339 1.177 20 5 EDBDRO COCCOC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194023144 442830481 /nfs/dbraw/zinc/83/04/81/442830481.db2.gz ZVXBYCJSKZSZFO-LBPRGKRZSA-N 1 0 339.348 1.988 20 5 EDBDRO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC[NH+]2CCC1CC2 ZINC000188839940 442825272 /nfs/dbraw/zinc/82/52/72/442825272.db2.gz FFTDKCAAKNVSLB-INIZCTEOSA-N 1 0 344.371 1.394 20 5 EDBDRO COc1cccc(C(=O)Nc2ccn(CC[NH+](C)C)n2)c1[N+](=O)[O-] ZINC000194186420 442859879 /nfs/dbraw/zinc/85/98/79/442859879.db2.gz DMWMEGLTKIPDDF-UHFFFAOYSA-N 1 0 333.348 1.614 20 5 EDBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000268204372 442899710 /nfs/dbraw/zinc/89/97/10/442899710.db2.gz JLVNWPFPHXYECO-UHFFFAOYSA-N 1 0 325.340 1.311 20 5 EDBDRO COc1ccc(CNC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268143707 442867803 /nfs/dbraw/zinc/86/78/03/442867803.db2.gz RTFCLHRKHSVHNL-SMDDNHRTSA-N 1 0 348.403 1.885 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[NH+]2CCCCC2)s1 ZINC000194397723 442889682 /nfs/dbraw/zinc/88/96/82/442889682.db2.gz VBJBNMSFORKNTK-UHFFFAOYSA-N 1 0 333.435 1.811 20 5 EDBDRO COC[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000265758502 442910492 /nfs/dbraw/zinc/91/04/92/442910492.db2.gz GPTIYVQTAGZIET-LBPRGKRZSA-N 1 0 337.376 1.900 20 5 EDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC1(c2ccccc2)CC1 ZINC000189295022 442913904 /nfs/dbraw/zinc/91/39/04/442913904.db2.gz XPISUFYPAZBGLT-INIZCTEOSA-N 1 0 330.388 1.816 20 5 EDBDRO C[C@@H](O)C[NH+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000189341942 442925338 /nfs/dbraw/zinc/92/53/38/442925338.db2.gz URMPRAHGILXXKZ-CYBMUJFWSA-N 1 0 346.387 1.748 20 5 EDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000194700001 442939125 /nfs/dbraw/zinc/93/91/25/442939125.db2.gz BSJNUIBTEODJRS-HNNXBMFYSA-N 1 0 329.360 1.605 20 5 EDBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])C2)CC1 ZINC000183592881 442944570 /nfs/dbraw/zinc/94/45/70/442944570.db2.gz MLKMAXGGXVTWOQ-CYBMUJFWSA-N 1 0 348.407 1.234 20 5 EDBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cn(Cc3cccnc3)nn2)cc1 ZINC000183732332 442957496 /nfs/dbraw/zinc/95/74/96/442957496.db2.gz XHLOLCOSOKRVGL-UHFFFAOYSA-N 1 0 338.371 1.962 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000189842241 443018834 /nfs/dbraw/zinc/01/88/34/443018834.db2.gz FWLRFTFNZVXHKO-UHFFFAOYSA-N 1 0 341.433 1.926 20 5 EDBDRO CCC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC(C)(C)O ZINC000268590209 443043981 /nfs/dbraw/zinc/04/39/81/443043981.db2.gz UNTNFCSDYRZYPX-UHFFFAOYSA-N 1 0 335.404 1.967 20 5 EDBDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000266177956 443046834 /nfs/dbraw/zinc/04/68/34/443046834.db2.gz KQTCABSECBAXKO-MNOVXSKESA-N 1 0 345.396 1.837 20 5 EDBDRO CC(=O)N1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000268634253 443058771 /nfs/dbraw/zinc/05/87/71/443058771.db2.gz CBZITMPPPDQVLP-CYBMUJFWSA-N 1 0 348.403 1.784 20 5 EDBDRO COc1ccc([C@H](C)[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000266401741 443117226 /nfs/dbraw/zinc/11/72/26/443117226.db2.gz FAAAXDRRYLNXFH-WFASDCNBSA-N 1 0 334.376 1.854 20 5 EDBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC000266441749 443127828 /nfs/dbraw/zinc/12/78/28/443127828.db2.gz MUVHSFPRUOWNHG-CABZTGNLSA-N 1 0 326.303 1.781 20 5 EDBDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000268864239 443129906 /nfs/dbraw/zinc/12/99/06/443129906.db2.gz WDRTUWCGBDBTSV-CQSZACIVSA-N 1 0 327.406 1.651 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH2+]Cc2cccnc2)c1 ZINC000237241918 443165274 /nfs/dbraw/zinc/16/52/74/443165274.db2.gz WFWDCIFFBCFNQL-UHFFFAOYSA-N 1 0 344.371 1.908 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262473321 443196480 /nfs/dbraw/zinc/19/64/80/443196480.db2.gz JLGXATKNJZQDLE-UWVGGRQHSA-N 1 0 329.378 1.022 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@H]1CC[NH3+] ZINC000261931546 443174203 /nfs/dbraw/zinc/17/42/03/443174203.db2.gz JRKCQHWIHBQLHR-LBPRGKRZSA-N 1 0 327.406 1.795 20 5 EDBDRO COC(=O)CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CCOCC1 ZINC000269053576 443184261 /nfs/dbraw/zinc/18/42/61/443184261.db2.gz UMLYUJDDKYGIAH-UHFFFAOYSA-N 1 0 338.360 1.805 20 5 EDBDRO C[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H]1c1ccccc1 ZINC000185655578 443233912 /nfs/dbraw/zinc/23/39/12/443233912.db2.gz JSGWSWYGEBJAKV-CABCVRRESA-N 1 0 341.371 1.747 20 5 EDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[NH2+]CC1 ZINC000269109409 443200499 /nfs/dbraw/zinc/20/04/99/443200499.db2.gz MTONHMQTOIHBJX-UHFFFAOYSA-N 1 0 332.129 1.542 20 5 EDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000185455426 443202860 /nfs/dbraw/zinc/20/28/60/443202860.db2.gz UIOTUYOSMNCTNG-UHFFFAOYSA-N 1 0 333.392 1.663 20 5 EDBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000269129257 443207634 /nfs/dbraw/zinc/20/76/34/443207634.db2.gz NIAHDYAHEOTTFO-MRVPVSSYSA-N 1 0 328.166 1.791 20 5 EDBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1COc2ccccc21 ZINC000185547837 443217308 /nfs/dbraw/zinc/21/73/08/443217308.db2.gz HLRQENAAPMFFCC-CORIIIEPSA-N 1 0 332.360 1.307 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H]2CCC[N@@H+]2C)c1F ZINC000411618394 319189325 /nfs/dbraw/zinc/18/93/25/319189325.db2.gz MUNLIFJYFGGZEZ-SNVBAGLBSA-N 1 0 325.340 1.495 20 5 EDBDRO C[NH+]1CCN(C[C@H](O)COc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000414121968 319317597 /nfs/dbraw/zinc/31/75/97/319317597.db2.gz FPRIKZIFBWPMCH-NSHDSACASA-N 1 0 329.784 1.235 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415841819 319377682 /nfs/dbraw/zinc/37/76/82/319377682.db2.gz QVLYLRHBCDBKMV-VXGBXAGGSA-N 1 0 334.376 1.394 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000264427383 443288430 /nfs/dbraw/zinc/28/84/30/443288430.db2.gz JYJHZJZJTOCTSN-HNNXBMFYSA-N 1 0 348.403 1.267 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272447520 443320396 /nfs/dbraw/zinc/32/03/96/443320396.db2.gz MBWSUMJEPNDUCX-HIFRSBDPSA-N 1 0 348.403 1.839 20 5 EDBDRO Cn1cc(C[NH2+]C[C@@]2(O)CCSC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000267063852 443329988 /nfs/dbraw/zinc/32/99/88/443329988.db2.gz POFPVHFJSAYWJJ-INIZCTEOSA-N 1 0 348.428 1.953 20 5 EDBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000264715416 443388722 /nfs/dbraw/zinc/38/87/22/443388722.db2.gz FMMBDHSLKJIGDC-UHFFFAOYSA-N 1 0 326.422 1.366 20 5 EDBDRO C[NH+]1CCC(C)(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000272576393 443369715 /nfs/dbraw/zinc/36/97/15/443369715.db2.gz XEWQRGDOHAMKIW-UHFFFAOYSA-N 1 0 336.348 1.965 20 5 EDBDRO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000278716509 443411875 /nfs/dbraw/zinc/41/18/75/443411875.db2.gz PBNSRHGJCMEYHM-YOEHRIQHSA-N 1 0 338.404 1.749 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000420446327 319620615 /nfs/dbraw/zinc/62/06/15/319620615.db2.gz BCWOJDDXAQSJSA-BDAKNGLRSA-N 1 0 347.368 1.148 20 5 EDBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CC[N@@H+]1C[C@@H](C)O ZINC000264788946 443425795 /nfs/dbraw/zinc/42/57/95/443425795.db2.gz RWOVWOKLEHYABB-GHMZBOCLSA-N 1 0 335.364 1.412 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278789122 443439937 /nfs/dbraw/zinc/43/99/37/443439937.db2.gz WJXKXCMUHCASQK-UHFFFAOYSA-N 1 0 346.391 1.708 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC000273073787 443532077 /nfs/dbraw/zinc/53/20/77/443532077.db2.gz ZWNPQPMLBXDYSK-LLVKDONJSA-N 1 0 347.371 1.762 20 5 EDBDRO C[C@H](C[NH3+])C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000423902878 319826490 /nfs/dbraw/zinc/82/64/90/319826490.db2.gz PTHZGPVZTXXAMH-LLVKDONJSA-N 1 0 346.391 1.105 20 5 EDBDRO CNS(=O)(=O)C1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000272354547 443601014 /nfs/dbraw/zinc/60/10/14/443601014.db2.gz RCGXMIMETNEITM-GFCCVEGCSA-N 1 0 341.433 1.978 20 5 EDBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435244798 320013396 /nfs/dbraw/zinc/01/33/96/320013396.db2.gz IBIGCAJOUNUKFO-HNNXBMFYSA-N 1 0 341.371 1.747 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000440350436 320072881 /nfs/dbraw/zinc/07/28/81/320072881.db2.gz OSURMMQXBRIHKU-NWDGAFQWSA-N 1 0 327.406 1.794 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000440350437 320072929 /nfs/dbraw/zinc/07/29/29/320072929.db2.gz OSURMMQXBRIHKU-RYUDHWBXSA-N 1 0 327.406 1.794 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000440845197 320083327 /nfs/dbraw/zinc/08/33/27/320083327.db2.gz OBVVQTSKSQSYHZ-NWDGAFQWSA-N 1 0 327.406 1.569 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000440861059 320084218 /nfs/dbraw/zinc/08/42/18/320084218.db2.gz QAPDGPQOOBYHMJ-HNNXBMFYSA-N 1 0 341.433 1.880 20 5 EDBDRO COc1cc(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000449645601 320196564 /nfs/dbraw/zinc/19/65/64/320196564.db2.gz MCUGDCFLUNXPGC-JQWIXIFHSA-N 1 0 337.376 1.859 20 5 EDBDRO CCOCCOCC[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000276303892 443684774 /nfs/dbraw/zinc/68/47/74/443684774.db2.gz WBWJFNZTMGGEQP-OAHLLOKOSA-N 1 0 342.392 1.319 20 5 EDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000285152129 443874663 /nfs/dbraw/zinc/87/46/63/443874663.db2.gz MAUZSOHXAJSRTD-LLVKDONJSA-N 1 0 329.360 1.495 20 5 EDBDRO COC1(C[C@H](C)[NH2+][C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000277232390 443944160 /nfs/dbraw/zinc/94/41/60/443944160.db2.gz YVEGHCMSYIEHJW-VBNZEHGJSA-N 1 0 338.404 1.926 20 5 EDBDRO CN(CCC[NH+](C)C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000540514575 320760796 /nfs/dbraw/zinc/76/07/96/320760796.db2.gz PXLTTYYCKZMRFW-UHFFFAOYSA-N 1 0 336.392 1.125 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H](C)C[NH+](C)C ZINC000293061410 443915149 /nfs/dbraw/zinc/91/51/49/443915149.db2.gz BFYSHCMQJDVUJF-JTQLQIEISA-N 1 0 336.392 1.464 20 5 EDBDRO C[N@@H+]1CCN(CCNC(=O)Nc2ccncc2[N+](=O)[O-])CC1(C)C ZINC000281784706 444004932 /nfs/dbraw/zinc/00/49/32/444004932.db2.gz KSQBWGOTWOTJTJ-UHFFFAOYSA-N 1 0 336.396 1.137 20 5 EDBDRO CNC(=O)c1ccc(NCCC[N@H+](C)CCN(C)C)c([N+](=O)[O-])c1 ZINC000288829152 443993153 /nfs/dbraw/zinc/99/31/53/443993153.db2.gz HYNSLROFKDFCMX-UHFFFAOYSA-N 1 0 337.424 1.250 20 5 EDBDRO CCOc1cc(CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000281941880 444045182 /nfs/dbraw/zinc/04/51/82/444045182.db2.gz FAXHOKQFVPURGS-KBPBESRZSA-N 1 0 337.420 1.880 20 5 EDBDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000285499664 444008490 /nfs/dbraw/zinc/00/84/90/444008490.db2.gz FCWOYLOWQSDBFH-LBPRGKRZSA-N 1 0 325.369 1.392 20 5 EDBDRO COc1cccc([C@H]2C[C@@H](O)C[N@@H+]2CCn2cc([N+](=O)[O-])cn2)c1 ZINC000282070285 444078660 /nfs/dbraw/zinc/07/86/60/444078660.db2.gz HBSQDADBHATNKQ-GDBMZVCRSA-N 1 0 332.360 1.608 20 5 EDBDRO CN(C)CC[N@H+](C)CCCN(C)c1nc2sccn2c1[N+](=O)[O-] ZINC000289217909 444079255 /nfs/dbraw/zinc/07/92/55/444079255.db2.gz YZMLUBPKSPFYAJ-UHFFFAOYSA-N 1 0 340.453 1.624 20 5 EDBDRO Cc1c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000293586128 444062141 /nfs/dbraw/zinc/06/21/41/444062141.db2.gz DPKRNDYDXDZCSV-TXEJJXNPSA-N 1 0 348.359 1.883 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285727236 444086957 /nfs/dbraw/zinc/08/69/57/444086957.db2.gz XHUJKXUQQDBFSH-ZDUSSCGKSA-N 1 0 349.309 1.536 20 5 EDBDRO CC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000563138249 321098354 /nfs/dbraw/zinc/09/83/54/321098354.db2.gz LTQKSOOEVMWICA-KGYLQXTDSA-N 1 0 334.319 1.329 20 5 EDBDRO COc1ccc(CC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000566100006 321214421 /nfs/dbraw/zinc/21/44/21/321214421.db2.gz ORLRDKXBIUUWJE-BFHYXJOUSA-N 1 0 333.388 1.732 20 5 EDBDRO Cc1cccc(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000567892130 321266320 /nfs/dbraw/zinc/26/63/20/321266320.db2.gz DXFIMRSNMNJAPI-MRXNPFEDSA-N 1 0 331.372 1.870 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000570071669 321336599 /nfs/dbraw/zinc/33/65/99/321336599.db2.gz GPYMNBNQICZVQK-BFHYXJOUSA-N 1 0 348.403 1.661 20 5 EDBDRO CNS(=O)(=O)c1ccc(NC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000301198452 444153634 /nfs/dbraw/zinc/15/36/34/444153634.db2.gz KZBXYZUICVUUFQ-NSHDSACASA-N 1 0 342.421 1.257 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)c(C)cc1[N+](=O)[O-] ZINC000573864118 321460273 /nfs/dbraw/zinc/46/02/73/321460273.db2.gz CJNRGKWOTVTDOR-AWEZNQCLSA-N 1 0 327.406 1.571 20 5 EDBDRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C2=O ZINC000574516428 321487335 /nfs/dbraw/zinc/48/73/35/321487335.db2.gz BPGHPKAKZNUFBO-MLGOLLRUSA-N 1 0 332.360 1.534 20 5 EDBDRO CC1(C)CN(c2nc3sccn3c2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000302510123 444215175 /nfs/dbraw/zinc/21/51/75/444215175.db2.gz FTHCZHJHGSNSNO-UHFFFAOYSA-N 1 0 325.394 1.197 20 5 EDBDRO COCC1CCC([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000295275344 444174894 /nfs/dbraw/zinc/17/48/94/444174894.db2.gz VXXOSTJNYSSRTA-TVGUXLQWSA-N 1 0 338.404 1.784 20 5 EDBDRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000295306720 444176575 /nfs/dbraw/zinc/17/65/75/444176575.db2.gz BLNPDRHRPRFGKY-LBPRGKRZSA-N 1 0 346.387 1.653 20 5 EDBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000301616776 444182487 /nfs/dbraw/zinc/18/24/87/444182487.db2.gz WATHWWQRBVNWGA-NWDGAFQWSA-N 1 0 331.376 1.743 20 5 EDBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000303043297 444233227 /nfs/dbraw/zinc/23/32/27/444233227.db2.gz WTATWLGUUWPXGL-IJLUTSLNSA-N 1 0 336.392 1.792 20 5 EDBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000296579496 444239496 /nfs/dbraw/zinc/23/94/96/444239496.db2.gz UFOGGMNHCWLFJR-RYUDHWBXSA-N 1 0 329.422 1.882 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)CCCC[NH3+] ZINC000319356369 444323814 /nfs/dbraw/zinc/32/38/14/444323814.db2.gz UQAAXKZOHMTLHN-SNVBAGLBSA-N 1 0 331.394 1.399 20 5 EDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000305781344 444280556 /nfs/dbraw/zinc/28/05/56/444280556.db2.gz UMHWOZPWRBCHBK-NSHDSACASA-N 1 0 335.282 1.778 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCOc3ccccc32)c1 ZINC000578064720 321715462 /nfs/dbraw/zinc/71/54/62/321715462.db2.gz QITHMNJRCORALR-OCCSQVGLSA-N 1 0 332.360 1.308 20 5 EDBDRO COc1ccc(S(=O)(=O)NCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000314229711 444299141 /nfs/dbraw/zinc/29/91/41/444299141.db2.gz CEMLUMXCOFOYGM-UHFFFAOYSA-N 1 0 329.378 1.024 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC2CC[NH2+]CC2)c1C ZINC000314774399 444302324 /nfs/dbraw/zinc/30/23/24/444302324.db2.gz ARAHTCBTZHOLKB-UHFFFAOYSA-N 1 0 327.406 1.490 20 5 EDBDRO CS(=O)(=O)c1ccc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)c([N+](=O)[O-])c1 ZINC000324085852 444349809 /nfs/dbraw/zinc/34/98/09/444349809.db2.gz ZSSWQOXKNJFGDZ-TXEJJXNPSA-N 1 0 339.417 1.434 20 5 EDBDRO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000325785585 444369880 /nfs/dbraw/zinc/36/98/80/444369880.db2.gz HTKAHXVOYTZLHP-CKEIUWERSA-N 1 0 333.388 1.744 20 5 EDBDRO C[C@H]1C[C@H](Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[N@@H+]1C1CC1 ZINC000290861072 444331485 /nfs/dbraw/zinc/33/14/85/444331485.db2.gz YPBHHJGDIGQXNJ-UWVGGRQHSA-N 1 0 340.405 1.279 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H](CO)CC1CCCC1 ZINC000578770049 321829108 /nfs/dbraw/zinc/82/91/08/321829108.db2.gz JLGWWTUZYUELTB-CABCVRRESA-N 1 0 338.404 1.865 20 5 EDBDRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000298010159 444385709 /nfs/dbraw/zinc/38/57/09/444385709.db2.gz YVRQTGXPFDXADT-CYBMUJFWSA-N 1 0 348.403 1.832 20 5 EDBDRO CN(C)[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000580397141 322044105 /nfs/dbraw/zinc/04/41/05/322044105.db2.gz WBGKRTQQHLXCRZ-JKSUJKDBSA-N 1 0 333.392 1.045 20 5 EDBDRO CC[C@H](C[C@H](C)CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000581429593 322177079 /nfs/dbraw/zinc/17/70/79/322177079.db2.gz RZSDVAZGEZGHGO-QWHCGFSZSA-N 1 0 344.433 1.755 20 5 EDBDRO COc1ccc(CSCC(=O)N2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000342138916 444529097 /nfs/dbraw/zinc/52/90/97/444529097.db2.gz PDWODANHBVXCIE-UHFFFAOYSA-N 1 0 339.417 1.609 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H]1c1ncc[nH]1 ZINC000343722746 444545917 /nfs/dbraw/zinc/54/59/17/444545917.db2.gz MQHQVRDCCRGUON-TZMCWYRMSA-N 1 0 332.360 1.895 20 5 EDBDRO C[C@H]([NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000342279043 444609707 /nfs/dbraw/zinc/60/97/07/444609707.db2.gz IXYGMBZPJIKUTB-LJISPDSOSA-N 1 0 337.420 1.716 20 5 EDBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1O ZINC000341046531 444650924 /nfs/dbraw/zinc/65/09/24/444650924.db2.gz MIKKSNOUOMQQBR-IAQYHMDHSA-N 1 0 337.376 1.635 20 5 EDBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000611033701 450415377 /nfs/dbraw/zinc/41/53/77/450415377.db2.gz SFFVKFCNFMNUGC-CQSZACIVSA-N 1 0 341.433 1.889 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000343887084 444647646 /nfs/dbraw/zinc/64/76/46/444647646.db2.gz FKPUPCPAOGCHAJ-DGCLKSJQSA-N 1 0 336.392 1.885 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000344000570 444720005 /nfs/dbraw/zinc/72/00/05/444720005.db2.gz VGWGZTSLEULYMD-BCUIYNNISA-N 1 0 333.388 1.933 20 5 EDBDRO Cc1c(C(=O)NCC2([NH3+])CCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000342614037 444776895 /nfs/dbraw/zinc/77/68/95/444776895.db2.gz DYIWBYJVHBLWRZ-UHFFFAOYSA-N 1 0 330.348 1.095 20 5 EDBDRO C[N@H+](CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CCCCC1 ZINC000342811153 444876334 /nfs/dbraw/zinc/87/63/34/444876334.db2.gz ZYPZQZGYGADMQZ-UHFFFAOYSA-N 1 0 336.392 1.137 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342922315 444942687 /nfs/dbraw/zinc/94/26/87/444942687.db2.gz WJLCLUGYCSJPFE-NSHDSACASA-N 1 0 332.360 1.527 20 5 EDBDRO CC(C)OC[C@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000337327624 445033924 /nfs/dbraw/zinc/03/39/24/445033924.db2.gz DIQFMUHDLBXWTR-LBPRGKRZSA-N 1 0 345.421 1.276 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000330772258 445135275 /nfs/dbraw/zinc/13/52/75/445135275.db2.gz DGBWQAULEXYOGG-ZDUSSCGKSA-N 1 0 341.433 1.913 20 5 EDBDRO C[C@@H]1[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCC[N@@H+]1C ZINC000343473922 445229628 /nfs/dbraw/zinc/22/96/28/445229628.db2.gz CMQNVIOZAHMNAN-DOMZBBRYSA-N 1 0 343.387 1.993 20 5 EDBDRO C[NH+](C)CCO[C@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347456623 445238753 /nfs/dbraw/zinc/23/87/53/445238753.db2.gz WYWBFPGDBZPODN-LBPRGKRZSA-N 1 0 331.376 1.695 20 5 EDBDRO CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347884781 445253817 /nfs/dbraw/zinc/25/38/17/445253817.db2.gz DHTCIRPXEDJKFT-LBPRGKRZSA-N 1 0 347.371 1.675 20 5 EDBDRO C[NH+](C)CCOC1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000351827904 445335648 /nfs/dbraw/zinc/33/56/48/445335648.db2.gz SJAGLGKMYDRVFE-UHFFFAOYSA-N 1 0 339.421 1.851 20 5 EDBDRO C[C@H]1C[C@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[N@@H+]1C ZINC000352308162 445519076 /nfs/dbraw/zinc/51/90/76/445519076.db2.gz XCHGTWMHOJPHOG-LSDHHAIUSA-N 1 0 346.431 1.974 20 5 EDBDRO CC[NH+]1CCC(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000359952405 445502517 /nfs/dbraw/zinc/50/25/17/445502517.db2.gz MDAQTNGGTWEOPY-INIZCTEOSA-N 1 0 332.404 1.774 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1csc([N+](=O)[O-])c1 ZINC000362797007 445553971 /nfs/dbraw/zinc/55/39/71/445553971.db2.gz LRHNHNBYQLCCGI-AGIUHOORSA-N 1 0 339.417 1.980 20 5 EDBDRO CSc1cccc(C(=O)NCC2(O)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000362799460 445554765 /nfs/dbraw/zinc/55/47/65/445554765.db2.gz WCQBPCOELFOMRP-UHFFFAOYSA-N 1 0 339.417 1.503 20 5 EDBDRO C[NH+](C)C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccc(F)cc1 ZINC000360208069 445629455 /nfs/dbraw/zinc/62/94/55/445629455.db2.gz JMQWAZJMDUTEKY-AWEZNQCLSA-N 1 0 347.350 1.744 20 5 EDBDRO Cc1nn(C)c(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1[N+](=O)[O-] ZINC000363258332 445744199 /nfs/dbraw/zinc/74/41/99/445744199.db2.gz FQHIRTKAKVPNAN-RWMBFGLXSA-N 1 0 333.392 1.193 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCN(CC[NH+](C)C)CC1 ZINC000363473633 445817341 /nfs/dbraw/zinc/81/73/41/445817341.db2.gz CPHCJRRRXBTPJI-UHFFFAOYSA-N 1 0 335.408 1.008 20 5 EDBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356489544 445818329 /nfs/dbraw/zinc/81/83/29/445818329.db2.gz ZPAFHIVGKPAONS-UPJWGTAASA-N 1 0 335.408 1.806 20 5 EDBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356489540 445818413 /nfs/dbraw/zinc/81/84/13/445818413.db2.gz ZPAFHIVGKPAONS-JHJVBQTASA-N 1 0 335.408 1.806 20 5 EDBDRO Cc1ncsc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000350359560 445816492 /nfs/dbraw/zinc/81/64/92/445816492.db2.gz SVSNFLJDALGQAG-UHFFFAOYSA-N 1 0 341.414 1.923 20 5 EDBDRO CC[NH+](CC)CC(=O)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000350682040 445879124 /nfs/dbraw/zinc/87/91/24/445879124.db2.gz NQSIJDKNFDLPCI-UHFFFAOYSA-N 1 0 334.420 1.581 20 5 EDBDRO C[C@]1(c2ccc(F)cc2)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361637603 445860378 /nfs/dbraw/zinc/86/03/78/445860378.db2.gz AEYOGQSGVQHPCL-IRXDYDNUSA-N 1 0 348.378 1.955 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+](C)C(C)C ZINC000354176519 445973508 /nfs/dbraw/zinc/97/35/08/445973508.db2.gz YABNYVXWBPWKGX-UHFFFAOYSA-N 1 0 336.392 1.552 20 5 EDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])nn1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000356736049 445978531 /nfs/dbraw/zinc/97/85/31/445978531.db2.gz ACVVXHMLVVUQNP-RYUDHWBXSA-N 1 0 335.408 1.711 20 5 EDBDRO C[NH+](C)[C@@H]1CCc2ccccc2[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000361830412 445986899 /nfs/dbraw/zinc/98/68/99/445986899.db2.gz MIOYGYGCOGFOCT-TZMCWYRMSA-N 1 0 328.376 1.997 20 5 EDBDRO CC1CCN(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000583376412 326060711 /nfs/dbraw/zinc/06/07/11/326060711.db2.gz MSAHNBVWHTVBRS-INIZCTEOSA-N 1 0 337.420 1.656 20 5 EDBDRO CO[C@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000359226794 446057469 /nfs/dbraw/zinc/05/74/69/446057469.db2.gz GJTWWGRGQGWXJS-OLZOCXBDSA-N 1 0 336.392 1.362 20 5 EDBDRO CCO[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000583867502 326155923 /nfs/dbraw/zinc/15/59/23/326155923.db2.gz NQZHBYPTWHKDTL-HZPDHXFCSA-N 1 0 334.376 1.520 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000583934275 326168823 /nfs/dbraw/zinc/16/88/23/326168823.db2.gz XYJDXSMBIGAIHS-WCQYABFASA-N 1 0 341.433 1.824 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)c1C ZINC000369320780 446071389 /nfs/dbraw/zinc/07/13/89/446071389.db2.gz BJNODFILYMDBEA-CLLJXQQHSA-N 1 0 339.417 1.854 20 5 EDBDRO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000373185372 446085330 /nfs/dbraw/zinc/08/53/30/446085330.db2.gz ZPCRCTHUJBREMC-LSDHHAIUSA-N 1 0 334.372 1.903 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@@H]12 ZINC000351501982 446107129 /nfs/dbraw/zinc/10/71/29/446107129.db2.gz YPOIPVRPFBUUON-MRVWCRGKSA-N 1 0 329.360 1.814 20 5 EDBDRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2 ZINC000373616789 446282397 /nfs/dbraw/zinc/28/23/97/446282397.db2.gz XATYDXKVCIRSTC-UKRRQHHQSA-N 1 0 334.332 1.847 20 5 EDBDRO CN1CC[NH+](C[C@H]2CCCN(c3ccc(N)cc3[N+](=O)[O-])C2)CC1 ZINC000376184962 446371256 /nfs/dbraw/zinc/37/12/56/446371256.db2.gz DBANMYXJQMCAAS-CQSZACIVSA-N 1 0 333.436 1.641 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]21 ZINC000374625352 446380085 /nfs/dbraw/zinc/38/00/85/446380085.db2.gz SSGJNYXTNHABKR-CYZMBNFOSA-N 1 0 347.371 1.565 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000366854381 446383573 /nfs/dbraw/zinc/38/35/73/446383573.db2.gz DHYZEZNXAFDHLT-CZUORRHYSA-N 1 0 333.388 1.964 20 5 EDBDRO COC[C@@]1(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000420256589 446434385 /nfs/dbraw/zinc/43/43/85/446434385.db2.gz VFZURBOSJNZZMG-KRWDZBQOSA-N 1 0 348.403 1.668 20 5 EDBDRO C[C@H]1[C@@H]([NH3+])CCN1c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000420256302 446434756 /nfs/dbraw/zinc/43/47/56/446434756.db2.gz URPUFCCAXHYTIE-CABZTGNLSA-N 1 0 349.778 1.720 20 5 EDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000366977462 446439709 /nfs/dbraw/zinc/43/97/09/446439709.db2.gz UGGCUQCAUBALGK-GDLCADMTSA-N 1 0 337.401 1.275 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC(C)(C)[NH+](C)C)c1F ZINC000411253547 446445540 /nfs/dbraw/zinc/44/55/40/446445540.db2.gz DMHADPAVZGWHMB-UHFFFAOYSA-N 1 0 327.356 1.741 20 5 EDBDRO C[C@H]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420280722 446448216 /nfs/dbraw/zinc/44/82/16/446448216.db2.gz LHKJSFVNXGUWPL-HOCLYGCPSA-N 1 0 348.447 1.848 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c(Cl)c1 ZINC000370731745 446406666 /nfs/dbraw/zinc/40/66/66/446406666.db2.gz ZVBYESGGTRQIKT-YUMQZZPRSA-N 1 0 337.760 1.227 20 5 EDBDRO O=C(NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000370759624 446420248 /nfs/dbraw/zinc/42/02/48/446420248.db2.gz NOGGOLUWBLNGEL-ZBFHGGJFSA-N 1 0 333.388 1.826 20 5 EDBDRO Cc1nc(CO[C@@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cs1 ZINC000374864389 446422878 /nfs/dbraw/zinc/42/28/78/446422878.db2.gz RTEQMQHDNHGRQP-CYBMUJFWSA-N 1 0 337.405 1.847 20 5 EDBDRO CN(C)c1noc(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000374869821 446426112 /nfs/dbraw/zinc/42/61/12/446426112.db2.gz UUXXUWQUZOZQCW-UHFFFAOYSA-N 1 0 335.368 1.120 20 5 EDBDRO COc1ccc(NC(=O)CCN2CC[NH2+][C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000420308962 446471236 /nfs/dbraw/zinc/47/12/36/446471236.db2.gz KYLFWPOVELUIGI-NEPJUHHUSA-N 1 0 336.392 1.614 20 5 EDBDRO O=C(CN1CC[C@@]2(CC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420315621 446481985 /nfs/dbraw/zinc/48/19/85/446481985.db2.gz XACOFMDTXITYTP-OAHLLOKOSA-N 1 0 338.795 1.872 20 5 EDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000453587248 446565576 /nfs/dbraw/zinc/56/55/76/446565576.db2.gz RMSZJNACDYLQQG-WWQBKPSDSA-N 1 0 331.372 1.587 20 5 EDBDRO Nc1nccc([C@H]2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000367214020 446523677 /nfs/dbraw/zinc/52/36/77/446523677.db2.gz QWZOGAZMUIYSFM-BBRMVZONSA-N 1 0 343.387 1.880 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CN)C(C)(C)C ZINC000420356309 446535989 /nfs/dbraw/zinc/53/59/89/446535989.db2.gz GAYCTCUBQLFMFX-CQSZACIVSA-N 1 0 338.408 1.895 20 5 EDBDRO CCOC(=O)c1ccnc(N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000375049783 446544935 /nfs/dbraw/zinc/54/49/35/446544935.db2.gz OVDSNZLWSPBKDR-WCQYABFASA-N 1 0 334.376 1.697 20 5 EDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCNC[C@H]1C(F)F ZINC000367994966 446617727 /nfs/dbraw/zinc/61/77/27/446617727.db2.gz WXENSJVFQCICQZ-JTQLQIEISA-N 1 0 325.275 1.150 20 5 EDBDRO O=C(NC[C@H]1CC[NH2+]C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418526208 446582051 /nfs/dbraw/zinc/58/20/51/446582051.db2.gz PFSOOYNDTQSCNK-ZDUSSCGKSA-N 1 0 333.392 1.036 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000420443113 446619262 /nfs/dbraw/zinc/61/92/62/446619262.db2.gz AJYOZQICUWCIJN-UHFFFAOYSA-N 1 0 327.406 1.632 20 5 EDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000423603485 446599901 /nfs/dbraw/zinc/59/99/01/446599901.db2.gz HRRKEAVKDWXFIZ-TZMCWYRMSA-N 1 0 348.403 1.302 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@@H](CC[NH3+])C(F)F)cc([N+](=O)[O-])c1 ZINC000423695088 446645090 /nfs/dbraw/zinc/64/50/90/446645090.db2.gz GOXAMDIQNWNEHQ-JTQLQIEISA-N 1 0 331.275 1.094 20 5 EDBDRO O=C(C[NH2+]C[C@@H]1CCCO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423718114 446658394 /nfs/dbraw/zinc/65/83/94/446658394.db2.gz BXVCSOWXSUSFPD-HNNXBMFYSA-N 1 0 333.388 1.854 20 5 EDBDRO CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000423727282 446663646 /nfs/dbraw/zinc/66/36/46/446663646.db2.gz QYMDSDNBMSUXSG-BLLLJJGKSA-N 1 0 347.375 1.942 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000420447649 446624017 /nfs/dbraw/zinc/62/40/17/446624017.db2.gz JYLGXPGIYBTUDE-ZDUSSCGKSA-N 1 0 329.422 1.863 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1C ZINC000420760359 446799214 /nfs/dbraw/zinc/79/92/14/446799214.db2.gz FWXZOLLYPRATGR-ZDUSSCGKSA-N 1 0 341.433 1.926 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1C ZINC000420760358 446800008 /nfs/dbraw/zinc/80/00/08/446800008.db2.gz FWXZOLLYPRATGR-CYBMUJFWSA-N 1 0 341.433 1.926 20 5 EDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000423991132 446811524 /nfs/dbraw/zinc/81/15/24/446811524.db2.gz LFFDVDKUBPCHSB-CMPLNLGQSA-N 1 0 325.390 1.180 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@]2(CO)Cc2ccccc2)c1 ZINC000375471358 446826446 /nfs/dbraw/zinc/82/64/46/446826446.db2.gz SNBDBNUKQZZETM-QGZVFWFLSA-N 1 0 330.388 1.861 20 5 EDBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC2)C1 ZINC000375496989 446848760 /nfs/dbraw/zinc/84/87/60/446848760.db2.gz PGUDSGBFKOMFRD-AWEZNQCLSA-N 1 0 347.419 1.029 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420766697 446804811 /nfs/dbraw/zinc/80/48/11/446804811.db2.gz MHZQXNHKZKPPOA-CYBMUJFWSA-N 1 0 327.406 1.618 20 5 EDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000442620256 446916585 /nfs/dbraw/zinc/91/65/85/446916585.db2.gz IIKASRPDJICOST-ZDUSSCGKSA-N 1 0 343.387 1.982 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)C[C@H]21 ZINC000371533678 446918807 /nfs/dbraw/zinc/91/88/07/446918807.db2.gz IVUKELBLPGBBJY-TVQRCGJNSA-N 1 0 347.400 1.766 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000442766931 446959847 /nfs/dbraw/zinc/95/98/47/446959847.db2.gz XQVOJHOWQUOQTM-GRYCIOLGSA-N 1 0 336.392 1.600 20 5 EDBDRO C[C@@]1([C@@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)NC(=O)NC1=O ZINC000368660749 447013788 /nfs/dbraw/zinc/01/37/88/447013788.db2.gz CWQYBJIVJLCGQD-WBMJQRKESA-N 1 0 332.360 1.405 20 5 EDBDRO C[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000454859189 446988389 /nfs/dbraw/zinc/98/83/89/446988389.db2.gz KISHBJSWNWBEGM-LBPRGKRZSA-N 1 0 346.391 2.236 20 5 EDBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C=CCCC1 ZINC000421034067 447003749 /nfs/dbraw/zinc/00/37/49/447003749.db2.gz YIKZSXNMODVWBL-CYBMUJFWSA-N 1 0 339.417 1.914 20 5 EDBDRO Cc1ccc(C(=O)N2CCC([N@@H+](C)C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000444392848 447100545 /nfs/dbraw/zinc/10/05/45/447100545.db2.gz PBUWTSLYCXAMIT-ZDUSSCGKSA-N 1 0 335.404 1.820 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCC23CCOCC3)cc1 ZINC000368894721 447186632 /nfs/dbraw/zinc/18/66/32/447186632.db2.gz HALCSRMKQMQOIB-UHFFFAOYSA-N 1 0 340.401 1.623 20 5 EDBDRO Nc1c(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000375981863 447189513 /nfs/dbraw/zinc/18/95/13/447189513.db2.gz YQBXUXJCHZOBOX-CQSZACIVSA-N 1 0 326.356 1.794 20 5 EDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)C1 ZINC000455765507 447225479 /nfs/dbraw/zinc/22/54/79/447225479.db2.gz BYSMEEZYNIVSAP-LBPRGKRZSA-N 1 0 335.408 1.835 20 5 EDBDRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)CCO1 ZINC000372705364 447234660 /nfs/dbraw/zinc/23/46/60/447234660.db2.gz UHVBMLVGALTNOB-LBPRGKRZSA-N 1 0 348.403 1.502 20 5 EDBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000456908920 447484277 /nfs/dbraw/zinc/48/42/77/447484277.db2.gz XNULZPNCELNHCM-UHFFFAOYSA-N 1 0 349.435 1.444 20 5 EDBDRO Cc1nn(CCC(=O)NCCCC[N@@H+](C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000457200694 447539287 /nfs/dbraw/zinc/53/92/87/447539287.db2.gz LTCOGIKGAIJXSU-UHFFFAOYSA-N 1 0 337.424 1.789 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000450734318 447560358 /nfs/dbraw/zinc/56/03/58/447560358.db2.gz VNXANVHQPQBGFH-MXWKQRLJSA-N 1 0 325.365 1.537 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420152694 447641048 /nfs/dbraw/zinc/64/10/48/447641048.db2.gz PKHSSFLLILRJCQ-AWEZNQCLSA-N 1 0 332.404 1.551 20 5 EDBDRO C[C@H]1NC(=O)N(CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1=O ZINC000459373816 447648632 /nfs/dbraw/zinc/64/86/32/447648632.db2.gz NLEBPZNFDQEBNJ-LLVKDONJSA-N 1 0 332.360 1.500 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000416564121 447648911 /nfs/dbraw/zinc/64/89/11/447648911.db2.gz QLZGHRDMUJZDSC-CYBMUJFWSA-N 1 0 341.433 1.913 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(NCCC[NH2+]Cc3cccnc3)nn21 ZINC000420188943 447661303 /nfs/dbraw/zinc/66/13/03/447661303.db2.gz UECIZGJTHYXFSI-UHFFFAOYSA-N 1 0 327.348 1.624 20 5 EDBDRO CCN1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000451102914 447683986 /nfs/dbraw/zinc/68/39/86/447683986.db2.gz GACARYKWFXBLRR-UONOGXRCSA-N 1 0 334.420 1.798 20 5 EDBDRO CON1CCC([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000459583238 447713183 /nfs/dbraw/zinc/71/31/83/447713183.db2.gz SLHKCUKTKDFDHE-CQSZACIVSA-N 1 0 339.392 1.292 20 5 EDBDRO CC(C)c1ccc(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000422765793 447744655 /nfs/dbraw/zinc/74/46/55/447744655.db2.gz QRPQJBSBGKVWEV-UHFFFAOYSA-N 1 0 348.403 1.222 20 5 EDBDRO CC(C)(C)OC(=O)NCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000496553824 447818000 /nfs/dbraw/zinc/81/80/00/447818000.db2.gz UMJJNFMCTIDIKH-ZDUSSCGKSA-N 1 0 325.365 1.743 20 5 EDBDRO O=C1OCCN1C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000496678748 447846507 /nfs/dbraw/zinc/84/65/07/447846507.db2.gz DQFSSWSJTVNEQM-CYBMUJFWSA-N 1 0 335.360 1.748 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000522899967 447862807 /nfs/dbraw/zinc/86/28/07/447862807.db2.gz CMCNMEWIYVIAOY-NSHDSACASA-N 1 0 335.360 1.784 20 5 EDBDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])C1CC1 ZINC000549327391 447872389 /nfs/dbraw/zinc/87/23/89/447872389.db2.gz LNCRXESNSLUBDC-OAHLLOKOSA-N 1 0 343.387 1.958 20 5 EDBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000575989167 447945748 /nfs/dbraw/zinc/94/57/48/447945748.db2.gz SCPPOECBJMUUGO-GUYCJALGSA-N 1 0 332.404 1.997 20 5 EDBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525700665 448013862 /nfs/dbraw/zinc/01/38/62/448013862.db2.gz JRVMOOQVWBRJDG-GFCCVEGCSA-N 1 0 342.421 1.342 20 5 EDBDRO CC[NH+]1CCC(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000576298635 448022431 /nfs/dbraw/zinc/02/24/31/448022431.db2.gz IMOSSXYQXGGXED-UHFFFAOYSA-N 1 0 341.433 1.746 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[N@@H+]1C1CC1 ZINC000531243886 448044916 /nfs/dbraw/zinc/04/49/16/448044916.db2.gz MGLRVSLMRMTTHH-UWVGGRQHSA-N 1 0 333.344 1.679 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2cccc(CO)c2)c1 ZINC000576864317 448158143 /nfs/dbraw/zinc/15/81/43/448158143.db2.gz RUDCNKGYTWCKMG-INIZCTEOSA-N 1 0 332.356 1.617 20 5 EDBDRO O=C(CC[NH2+][C@@H]1CCO[C@]2(CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000571158816 448113207 /nfs/dbraw/zinc/11/32/07/448113207.db2.gz XORIMZMORJCERF-CXAGYDPISA-N 1 0 349.387 1.851 20 5 EDBDRO CC[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000505418374 448117282 /nfs/dbraw/zinc/11/72/82/448117282.db2.gz AXQWJBLYWRPXIJ-CQSZACIVSA-N 1 0 343.387 1.885 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000531821406 448153905 /nfs/dbraw/zinc/15/39/05/448153905.db2.gz KHUOTFVGOZEXPP-IINYFYTJSA-N 1 0 347.371 1.579 20 5 EDBDRO C[C@H](CO[C@H]1CCOC1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000577055471 448201363 /nfs/dbraw/zinc/20/13/63/448201363.db2.gz ODRXRBFMDXXKQS-INWMFGNUSA-N 1 0 340.376 1.118 20 5 EDBDRO CCN1CC[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531888613 448166758 /nfs/dbraw/zinc/16/67/58/448166758.db2.gz JPTAWKQMPIDYJC-UHFFFAOYSA-N 1 0 335.408 1.137 20 5 EDBDRO COC(=O)CN(CCOc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000577452359 448297739 /nfs/dbraw/zinc/29/77/39/448297739.db2.gz YKMCBUKHAFVKKE-UHFFFAOYSA-N 1 0 338.360 1.628 20 5 EDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c(Br)c1 ZINC000591439537 448363442 /nfs/dbraw/zinc/36/34/42/448363442.db2.gz WDRPSJZPNNAQJZ-KWQFWETISA-N 1 0 327.182 1.941 20 5 EDBDRO CC[C@H](C)Oc1cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000577723088 448368451 /nfs/dbraw/zinc/36/84/51/448368451.db2.gz FAZNREFSOATILK-WFASDCNBSA-N 1 0 349.391 1.514 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000591672936 448442270 /nfs/dbraw/zinc/44/22/70/448442270.db2.gz XLHUPCXAVLVIRB-LLVKDONJSA-N 1 0 329.303 1.464 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000578084883 448458325 /nfs/dbraw/zinc/45/83/25/448458325.db2.gz IDFSGTKIJQKQPA-NILFDRSVSA-N 1 0 339.417 1.651 20 5 EDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000566412436 448464649 /nfs/dbraw/zinc/46/46/49/448464649.db2.gz WCHWFJHEWKESEK-AAEUAGOBSA-N 1 0 329.360 1.732 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000591756101 448482643 /nfs/dbraw/zinc/48/26/43/448482643.db2.gz MZTNLNUGNGVQBQ-OLZOCXBDSA-N 1 0 332.360 1.725 20 5 EDBDRO C[C@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000578379977 448530906 /nfs/dbraw/zinc/53/09/06/448530906.db2.gz NNQJIMZWPTZHHC-CYBMUJFWSA-N 1 0 341.433 1.994 20 5 EDBDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000578482951 448555644 /nfs/dbraw/zinc/55/56/44/448555644.db2.gz YNLJMRIJERMODP-XQQFMLRXSA-N 1 0 344.437 1.688 20 5 EDBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC2(CC[NH2+]2)CC1 ZINC000517369838 448576009 /nfs/dbraw/zinc/57/60/09/448576009.db2.gz OCCIFZMZDGANPD-UHFFFAOYSA-N 1 0 341.371 1.749 20 5 EDBDRO C[C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[NH+]1CC(C)C1 ZINC000573624086 448674471 /nfs/dbraw/zinc/67/44/71/448674471.db2.gz SOYBOVKTWIDQJK-STQMWFEESA-N 1 0 333.392 1.343 20 5 EDBDRO CC[NH+]1CCC(CNc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000567187539 448633354 /nfs/dbraw/zinc/63/33/54/448633354.db2.gz GKQUVPXNNXSQCL-UHFFFAOYSA-N 1 0 336.392 2.229 20 5 EDBDRO C[NH+]1CCC2(CC1)CN(C(=O)Nc1cccc([N+](=O)[O-])c1)CCO2 ZINC000592211894 448749883 /nfs/dbraw/zinc/74/98/83/448749883.db2.gz XWMGFSSPIDZCKI-UHFFFAOYSA-N 1 0 334.376 1.923 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000592367328 448807861 /nfs/dbraw/zinc/80/78/61/448807861.db2.gz PLADLTZUDFEVFM-LBPRGKRZSA-N 1 0 327.406 1.632 20 5 EDBDRO CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)[C@H](C)C1 ZINC000586772782 448808121 /nfs/dbraw/zinc/80/81/21/448808121.db2.gz ZBDINNJBGFHINN-LLVKDONJSA-N 1 0 343.405 1.318 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592310263 448785940 /nfs/dbraw/zinc/78/59/40/448785940.db2.gz AVQJRDPNZQOZDF-IUODEOHRSA-N 1 0 336.392 1.362 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000592387355 448817834 /nfs/dbraw/zinc/81/78/34/448817834.db2.gz PYKQFTKBKQKDIY-CYBMUJFWSA-N 1 0 327.406 1.199 20 5 EDBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000592442333 448838988 /nfs/dbraw/zinc/83/89/88/448838988.db2.gz MQRQSFRNBFZDSD-NWDGAFQWSA-N 1 0 348.403 1.328 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCO1 ZINC000592475547 448852875 /nfs/dbraw/zinc/85/28/75/448852875.db2.gz MVTSWSDWQOYJRP-GWCFXTLKSA-N 1 0 333.348 1.193 20 5 EDBDRO CC[C@H]1CN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592485486 448856709 /nfs/dbraw/zinc/85/67/09/448856709.db2.gz BRJRMGAXKMJTNZ-WCQYABFASA-N 1 0 336.392 1.601 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000592477144 448853615 /nfs/dbraw/zinc/85/36/15/448853615.db2.gz OQOUUHAKQIKXEM-ZANVPECISA-N 1 0 327.768 1.365 20 5 EDBDRO COc1cccc(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1[N+](=O)[O-] ZINC000574398799 448864938 /nfs/dbraw/zinc/86/49/38/448864938.db2.gz LWMMHVGKAHEUMF-LBPRGKRZSA-N 1 0 349.387 1.431 20 5 EDBDRO CC(=O)NCCN(C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000568508320 448880793 /nfs/dbraw/zinc/88/07/93/448880793.db2.gz ZHYAWHPPXCTAPV-JTQLQIEISA-N 1 0 333.348 1.774 20 5 EDBDRO CCc1ccc(C(=O)N2CCC[NH2+]C[C@@H]2C(=O)OC)cc1[N+](=O)[O-] ZINC000592557252 448898904 /nfs/dbraw/zinc/89/89/04/448898904.db2.gz XHSLTUPIFGRJMY-CQSZACIVSA-N 1 0 335.360 1.134 20 5 EDBDRO O=C(CC[NH2+][C@@H]1CCc2nc[nH]c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000574513549 448890090 /nfs/dbraw/zinc/89/00/90/448890090.db2.gz UBEHVXXNSXYLBQ-LLVKDONJSA-N 1 0 329.360 1.794 20 5 EDBDRO CCc1ccc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588864004 448943486 /nfs/dbraw/zinc/94/34/86/448943486.db2.gz VTXUINDPORQELZ-LSDHHAIUSA-N 1 0 333.388 1.438 20 5 EDBDRO C[N@@H+]1C[C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000592881091 449033928 /nfs/dbraw/zinc/03/39/28/449033928.db2.gz KHIPLTRZYYFYEV-OLZOCXBDSA-N 1 0 329.360 1.393 20 5 EDBDRO COC[C@@]1(CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCC[NH2+]1 ZINC000575109197 449036597 /nfs/dbraw/zinc/03/65/97/449036597.db2.gz VQPZROKQDKYXJJ-KRWDZBQOSA-N 1 0 348.403 1.431 20 5 EDBDRO CS[C@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)C[C@H]1[NH+]1CCCC1 ZINC000548448650 449047488 /nfs/dbraw/zinc/04/74/88/449047488.db2.gz WVROYBVBDSHFEP-NEPJUHHUSA-N 1 0 325.438 1.653 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000595635908 449093432 /nfs/dbraw/zinc/09/34/32/449093432.db2.gz OMDNBQROHZYLSR-XGUBFFRZSA-N 1 0 336.388 1.427 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000590011672 449096355 /nfs/dbraw/zinc/09/63/55/449096355.db2.gz LRQHSOISGNEXLU-BBRMVZONSA-N 1 0 330.388 1.120 20 5 EDBDRO CC(C)C[N@H+](C)CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000593616359 449110331 /nfs/dbraw/zinc/11/03/31/449110331.db2.gz LEKAKFNQRHNFIG-UHFFFAOYSA-N 1 0 329.422 1.851 20 5 EDBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2C[C@@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000595779268 449160719 /nfs/dbraw/zinc/16/07/19/449160719.db2.gz BNGZAQFOTQSIOT-LSDHHAIUSA-N 1 0 349.387 1.825 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000593732799 449167614 /nfs/dbraw/zinc/16/76/14/449167614.db2.gz OSSAURUGXPXWRW-UHFFFAOYSA-N 1 0 327.406 1.571 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595836620 449199255 /nfs/dbraw/zinc/19/92/55/449199255.db2.gz XGFZMFPZVNDZRG-CHWSQXEVSA-N 1 0 347.371 1.861 20 5 EDBDRO COC(=O)[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000595848284 449205514 /nfs/dbraw/zinc/20/55/14/449205514.db2.gz GTHISKIYIXOTDC-VDISTLRHSA-N 1 0 335.360 1.807 20 5 EDBDRO Cc1c(C(=O)N[C@H]2CCC[N@@H+](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000604198959 449190764 /nfs/dbraw/zinc/19/07/64/449190764.db2.gz MTKFHHWMGZTBIE-LBPRGKRZSA-N 1 0 344.375 1.308 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@H]1[C@H]1CCC[N@H+]1C ZINC000590566211 449193621 /nfs/dbraw/zinc/19/36/21/449193621.db2.gz VOOCOORTUDGNTL-CVEARBPZSA-N 1 0 333.388 1.838 20 5 EDBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000590657721 449235974 /nfs/dbraw/zinc/23/59/74/449235974.db2.gz OYFPKLOMOULZGO-KGLIPLIRSA-N 1 0 336.344 1.893 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000604489617 449238191 /nfs/dbraw/zinc/23/81/91/449238191.db2.gz RAXURTIMSJGRNO-KRWDZBQOSA-N 1 0 347.415 1.851 20 5 EDBDRO CCc1nn(C)c(NCC2([NH+]3CCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000611281122 449248386 /nfs/dbraw/zinc/24/83/86/449248386.db2.gz YUMKNAFGLYTIHI-UHFFFAOYSA-N 1 0 337.424 1.948 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC3CC2(c2ccccc2)C3)c1 ZINC000595912245 449249248 /nfs/dbraw/zinc/24/92/48/449249248.db2.gz XNSQIDVDKKNLBM-BLDCVEFLSA-N 1 0 328.372 1.773 20 5 EDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)c1cnnn1C1CC[NH2+]CC1 ZINC000595923704 449256790 /nfs/dbraw/zinc/25/67/90/449256790.db2.gz BFBIRORSVYZUSW-UHFFFAOYSA-N 1 0 330.348 1.041 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000593404374 449266804 /nfs/dbraw/zinc/26/68/04/449266804.db2.gz RQKMJAVFYMEZNZ-ZDUSSCGKSA-N 1 0 345.403 1.828 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CCC[NH2+]CC2)c1 ZINC000593900676 449271644 /nfs/dbraw/zinc/27/16/44/449271644.db2.gz RIXYLGGCRXLCTK-UHFFFAOYSA-N 1 0 343.387 1.584 20 5 EDBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000600310961 449314022 /nfs/dbraw/zinc/31/40/22/449314022.db2.gz MBEIVIBPUIHBKU-LBPRGKRZSA-N 1 0 349.387 1.828 20 5 EDBDRO Cc1ccc(NCCCNC(=O)[C@H](N)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000593910006 449279255 /nfs/dbraw/zinc/27/92/55/449279255.db2.gz PTKFMGQAJGTYJF-CYBMUJFWSA-N 1 0 337.424 1.100 20 5 EDBDRO CCC[NH+]1CCC(Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596062839 449342568 /nfs/dbraw/zinc/34/25/68/449342568.db2.gz SIXVJOJDGMNINB-UHFFFAOYSA-N 1 0 342.421 1.529 20 5 EDBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000596130390 449379248 /nfs/dbraw/zinc/37/92/48/449379248.db2.gz WTHYPZOBAQGSIY-QGZVFWFLSA-N 1 0 348.403 1.699 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000596050099 449337069 /nfs/dbraw/zinc/33/70/69/449337069.db2.gz IJHCJEWMJRNWOJ-SECBINFHSA-N 1 0 341.311 1.413 20 5 EDBDRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000602172676 449402884 /nfs/dbraw/zinc/40/28/84/449402884.db2.gz OMJSHMALVNBWMK-TXEJJXNPSA-N 1 0 347.371 1.723 20 5 EDBDRO CN(CC1([NH+](C)C)CCC1)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596202486 449411346 /nfs/dbraw/zinc/41/13/46/449411346.db2.gz FWNHJZULQONHMJ-UHFFFAOYSA-N 1 0 342.421 1.163 20 5 EDBDRO NC(=O)c1cc(N2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000596221737 449422306 /nfs/dbraw/zinc/42/23/06/449422306.db2.gz OFEMVLYBRGDABO-CYBMUJFWSA-N 1 0 348.403 1.242 20 5 EDBDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000598536227 449451848 /nfs/dbraw/zinc/45/18/48/449451848.db2.gz PCQKCLJGJSFDRK-GFCCVEGCSA-N 1 0 336.392 1.638 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596307828 449467508 /nfs/dbraw/zinc/46/75/08/449467508.db2.gz FGWRIVKERSZIDY-NSHDSACASA-N 1 0 342.421 1.527 20 5 EDBDRO CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000600662995 449479627 /nfs/dbraw/zinc/47/96/27/449479627.db2.gz ZFSAKVOOZXFAGP-RWMBFGLXSA-N 1 0 337.376 1.902 20 5 EDBDRO COC(=O)c1ccnc(N2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000598590791 449480373 /nfs/dbraw/zinc/48/03/73/449480373.db2.gz XGZZFZHYBWZOIF-UHFFFAOYSA-N 1 0 343.343 1.498 20 5 EDBDRO CC[C@H](C)[N@H+](C)CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598592628 449480829 /nfs/dbraw/zinc/48/08/29/449480829.db2.gz KJNNBVJKGHBCMP-LBPRGKRZSA-N 1 0 338.412 1.364 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H](Nc2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000598594479 449481403 /nfs/dbraw/zinc/48/14/03/449481403.db2.gz KTAYFXNRWGBGON-LLVKDONJSA-N 1 0 338.364 1.299 20 5 EDBDRO CC(C)(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000594394309 449490834 /nfs/dbraw/zinc/49/08/34/449490834.db2.gz WYWWCJYXOLWNFC-LSDHHAIUSA-N 1 0 333.388 1.150 20 5 EDBDRO CCCC[C@H](C[NH3+])NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598664556 449527024 /nfs/dbraw/zinc/52/70/24/449527024.db2.gz MKQUVCSXKYPXKR-GFCCVEGCSA-N 1 0 337.380 1.350 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1C ZINC000594474074 449539425 /nfs/dbraw/zinc/53/94/25/449539425.db2.gz FAMXIXYZCNEDJW-BETUJISGSA-N 1 0 341.433 1.830 20 5 EDBDRO COc1ccc(NC(=O)CCN2C[C@@H]3CCC[C@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC000598682471 449540873 /nfs/dbraw/zinc/54/08/73/449540873.db2.gz NAQDUNRNJCDNFK-SJCJKPOMSA-N 1 0 348.403 1.745 20 5 EDBDRO COc1ccc(NC(=O)CN2C[C@H]3CCC[C@@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC000598684411 449541380 /nfs/dbraw/zinc/54/13/80/449541380.db2.gz XBPDFCZAYIPICM-BDJLRTHQSA-N 1 0 334.376 1.355 20 5 EDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC([N@@H+]3CC[C@H](O)C3)CC2)s1 ZINC000596541548 449546546 /nfs/dbraw/zinc/54/65/46/449546546.db2.gz ZBFUPPAOQGHAEB-NSHDSACASA-N 1 0 349.416 1.635 20 5 EDBDRO Cc1cc(NC[C@]2(OCCO)CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596430804 449499443 /nfs/dbraw/zinc/49/94/43/449499443.db2.gz ORRNJQBEWQLGRG-QGZVFWFLSA-N 1 0 347.371 1.453 20 5 EDBDRO CNc1nccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594417693 449504619 /nfs/dbraw/zinc/50/46/19/449504619.db2.gz FBKUBXJXILFYRL-STQMWFEESA-N 1 0 333.392 1.778 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)C[C@@H](C)[NH2+]1 ZINC000602432213 449582272 /nfs/dbraw/zinc/58/22/72/449582272.db2.gz FGJRJKVXPMAFOQ-GHMZBOCLSA-N 1 0 347.350 1.742 20 5 EDBDRO Cc1ccccc1C[NH+]1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602434778 449583574 /nfs/dbraw/zinc/58/35/74/449583574.db2.gz QETWCLUMEMXBAS-UHFFFAOYSA-N 1 0 329.404 1.955 20 5 EDBDRO CO[C@](C)(CO)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000594510158 449558855 /nfs/dbraw/zinc/55/88/55/449558855.db2.gz HYAJXPQBFQXGFS-ABAIWWIYSA-N 1 0 325.365 1.299 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598722106 449563264 /nfs/dbraw/zinc/56/32/64/449563264.db2.gz ZCMZJHHZMZPQTJ-FZMZJTMJSA-N 1 0 325.390 1.405 20 5 EDBDRO CCOC(=O)c1ccnc(N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000600955992 449614823 /nfs/dbraw/zinc/61/48/23/449614823.db2.gz MGLBAESVJNJHFF-IYBDPMFKSA-N 1 0 334.376 1.602 20 5 EDBDRO C[NH+]1CCN(CCn2cc(COc3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC000600966172 449619870 /nfs/dbraw/zinc/61/98/70/449619870.db2.gz COAHLAMPWHCZNA-UHFFFAOYSA-N 1 0 346.391 1.013 20 5 EDBDRO COC[C@H](O)CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602582958 449686621 /nfs/dbraw/zinc/68/66/21/449686621.db2.gz ZKFUKKBIFKOVAE-SSDOTTSWSA-N 1 0 339.211 1.906 20 5 EDBDRO C[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)CN1CCOCC1 ZINC000602549781 449667887 /nfs/dbraw/zinc/66/78/87/449667887.db2.gz DUWKEGNNUYHAAX-GFCCVEGCSA-N 1 0 334.376 1.794 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)CC(F)(F)F)CC2)cn1 ZINC000602581099 449685752 /nfs/dbraw/zinc/68/57/52/449685752.db2.gz PKBIRHWISQLHOL-NSHDSACASA-N 1 0 348.325 1.862 20 5 EDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCOCC[NH2+]C ZINC000602561434 449676129 /nfs/dbraw/zinc/67/61/29/449676129.db2.gz FOHHKJNLYPANNZ-UHFFFAOYSA-N 1 0 327.406 1.673 20 5 EDBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H](C)N1CCOCC1 ZINC000602567149 449678364 /nfs/dbraw/zinc/67/83/64/449678364.db2.gz VGFHMRBNFWNXEC-NEPJUHHUSA-N 1 0 334.376 1.935 20 5 EDBDRO C[NH+](C)CCC1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594770542 449682936 /nfs/dbraw/zinc/68/29/36/449682936.db2.gz HKLVLLVUNYMCBV-UHFFFAOYSA-N 1 0 342.421 1.342 20 5 EDBDRO CCC[NH+]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000598896994 449635975 /nfs/dbraw/zinc/63/59/75/449635975.db2.gz UWBZXVIXQXDISZ-UHFFFAOYSA-N 1 0 349.391 1.271 20 5 EDBDRO COC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000594714562 449642442 /nfs/dbraw/zinc/64/24/42/449642442.db2.gz PCMLTXLTQOUNQD-NSHDSACASA-N 1 0 326.349 1.461 20 5 EDBDRO Cn1c(Sc2ncc(F)cc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000601118951 449700708 /nfs/dbraw/zinc/70/07/08/449700708.db2.gz RUVVYOSSJIARLS-MRVPVSSYSA-N 1 0 338.368 1.876 20 5 EDBDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)cc1[N+](=O)[O-] ZINC000599021197 449701272 /nfs/dbraw/zinc/70/12/72/449701272.db2.gz UCSMYEFEXXGXJK-RISCZKNCSA-N 1 0 334.332 1.915 20 5 EDBDRO O=[N+]([O-])c1sccc1N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000612451947 449712884 /nfs/dbraw/zinc/71/28/84/449712884.db2.gz FCENOTQJDAYKBS-UHFFFAOYSA-N 1 0 327.406 1.320 20 5 EDBDRO CN(Cc1ncccn1)[C@@H]1CCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601151037 449719139 /nfs/dbraw/zinc/71/91/39/449719139.db2.gz MTXUGLWNEIYRSS-GFCCVEGCSA-N 1 0 332.339 1.630 20 5 EDBDRO CS(=O)(=O)N1CC[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599095543 449728766 /nfs/dbraw/zinc/72/87/66/449728766.db2.gz GQNGPVCUHIEMHE-NSHDSACASA-N 1 0 336.373 1.589 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CCN(CCCF)CC2)c1[N+](=O)[O-] ZINC000599094813 449728871 /nfs/dbraw/zinc/72/88/71/449728871.db2.gz YKHYUZHJFJYUOL-UHFFFAOYSA-N 1 0 340.355 1.566 20 5 EDBDRO CN1CC[C@H]([NH+]2CCC(Nc3ccc(F)cc3[N+](=O)[O-])CC2)C1=O ZINC000601177675 449735929 /nfs/dbraw/zinc/73/59/29/449735929.db2.gz YXQNUUWLPLXPCX-AWEZNQCLSA-N 1 0 336.367 1.841 20 5 EDBDRO Cn1nnnc1CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602582188 449687490 /nfs/dbraw/zinc/68/74/90/449687490.db2.gz MAJVEERHSAIEFS-UHFFFAOYSA-N 1 0 347.198 1.275 20 5 EDBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602592495 449692890 /nfs/dbraw/zinc/69/28/90/449692890.db2.gz QWSMFENRJXHVSP-TXEJJXNPSA-N 1 0 339.779 1.980 20 5 EDBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCN(CCc3cnccn3)CC2)cc1 ZINC000602742252 449777437 /nfs/dbraw/zinc/77/74/37/449777437.db2.gz AJWAIKZOQKFKLE-UHFFFAOYSA-N 1 0 341.415 1.788 20 5 EDBDRO CC[C@@H]1CN(c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599179948 449781720 /nfs/dbraw/zinc/78/17/20/449781720.db2.gz LGGVWBJMYUPQFN-WDEREUQCSA-N 1 0 342.421 1.080 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)c(Cl)c1 ZINC000599107489 449740047 /nfs/dbraw/zinc/74/00/47/449740047.db2.gz MHKHILCJAAGXBI-GFCCVEGCSA-N 1 0 345.808 1.811 20 5 EDBDRO CC(C)Oc1nc(N2CCC[C@](O)(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000601189775 449742384 /nfs/dbraw/zinc/74/23/84/449742384.db2.gz VENREEHQLAXVBD-INIZCTEOSA-N 1 0 338.408 1.670 20 5 EDBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000594974469 449825301 /nfs/dbraw/zinc/82/53/01/449825301.db2.gz LUVHJKBSOXPBKO-PWSUYJOCSA-N 1 0 328.390 1.659 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000595090902 449865539 /nfs/dbraw/zinc/86/55/39/449865539.db2.gz KXSWUMZJTHXCSW-ZDUSSCGKSA-N 1 0 348.403 1.831 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCn2c(CC3CC3)nnc2C1 ZINC000602862493 449871194 /nfs/dbraw/zinc/87/11/94/449871194.db2.gz JKIMGGGKCFYGBI-UHFFFAOYSA-N 1 0 331.380 1.160 20 5 EDBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000612794021 449880235 /nfs/dbraw/zinc/88/02/35/449880235.db2.gz RQQJFCWMLJMBHP-GFCCVEGCSA-N 1 0 327.406 1.748 20 5 EDBDRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000595119944 449880931 /nfs/dbraw/zinc/88/09/31/449880931.db2.gz BQRZYKYEYBALGL-SNVBAGLBSA-N 1 0 335.813 1.900 20 5 EDBDRO CC[N@H+]1[C@H](C)CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000602873344 449880976 /nfs/dbraw/zinc/88/09/76/449880976.db2.gz HHUAXTNPECHXCQ-OKILXGFUSA-N 1 0 334.420 1.972 20 5 EDBDRO C[C@@H](CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000595124418 449885220 /nfs/dbraw/zinc/88/52/20/449885220.db2.gz CNGFMNGCGCKVLQ-VIFPVBQESA-N 1 0 342.783 1.643 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC[C@H](C)[NH+](C)C ZINC000595125604 449886282 /nfs/dbraw/zinc/88/62/82/449886282.db2.gz OOAPOIBRZPBPMA-LBPRGKRZSA-N 1 0 336.392 1.607 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])s1 ZINC000601342570 449850856 /nfs/dbraw/zinc/85/08/56/449850856.db2.gz YOGNRZKKOPFRAD-UWVGGRQHSA-N 1 0 331.419 1.337 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000601344656 449853176 /nfs/dbraw/zinc/85/31/76/449853176.db2.gz ZQFFKTZOKCUNCW-SNVBAGLBSA-N 1 0 333.435 1.679 20 5 EDBDRO Cc1sc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000601420702 449937436 /nfs/dbraw/zinc/93/74/36/449937436.db2.gz FKUHXQPGXOMLEI-WPRPVWTQSA-N 1 0 333.435 1.678 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601422710 449941195 /nfs/dbraw/zinc/94/11/95/449941195.db2.gz XGIPLTGNBBUDMW-UWVGGRQHSA-N 1 0 333.435 1.678 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595221778 449955735 /nfs/dbraw/zinc/95/57/35/449955735.db2.gz FCEWNPUYEQYINZ-AWEZNQCLSA-N 1 0 335.408 1.338 20 5 EDBDRO CN1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000602903657 449909410 /nfs/dbraw/zinc/90/94/10/449909410.db2.gz GOCNKDFORVKYDF-GFCCVEGCSA-N 1 0 344.209 1.466 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000595223814 449957338 /nfs/dbraw/zinc/95/73/38/449957338.db2.gz BDVZQCMGAQBBGQ-KGLIPLIRSA-N 1 0 335.408 1.480 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000609157635 449971040 /nfs/dbraw/zinc/97/10/40/449971040.db2.gz LQCYMURTEMWUBJ-AWEZNQCLSA-N 1 0 329.360 1.727 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@@H]2CC[C@H](C)[N@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000601468167 449991735 /nfs/dbraw/zinc/99/17/35/449991735.db2.gz JTTQBLCABCYOGL-QWRGUYRKSA-N 1 0 345.396 1.803 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC1(C)COC1 ZINC000599571974 450075112 /nfs/dbraw/zinc/07/51/12/450075112.db2.gz ZAKYEGXXUIZBFO-UHFFFAOYSA-N 1 0 337.376 1.900 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000609467500 450031847 /nfs/dbraw/zinc/03/18/47/450031847.db2.gz QTOXWSZSJLUWSS-DZGCQCFKSA-N 1 0 348.403 1.900 20 5 EDBDRO CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000609559189 450051602 /nfs/dbraw/zinc/05/16/02/450051602.db2.gz AJVFVBNKCXIPKM-CQSZACIVSA-N 1 0 349.435 1.174 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000595345464 450058282 /nfs/dbraw/zinc/05/82/82/450058282.db2.gz PORWDSMRDUYMBI-HNNXBMFYSA-N 1 0 341.433 1.841 20 5 EDBDRO C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CC[NH+](C)CC1 ZINC000609583414 450059536 /nfs/dbraw/zinc/05/95/36/450059536.db2.gz HBRPVMNMMDAKLN-JTQLQIEISA-N 1 0 335.360 1.784 20 5 EDBDRO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C[C@H]1CCOC1 ZINC000609631602 450076977 /nfs/dbraw/zinc/07/69/77/450076977.db2.gz FHLZMQQQRAFZPQ-GFCCVEGCSA-N 1 0 337.376 1.900 20 5 EDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000609833619 450103016 /nfs/dbraw/zinc/10/30/16/450103016.db2.gz PHTUBPSJUZECPX-CQSZACIVSA-N 1 0 349.387 1.986 20 5 EDBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000599625718 450112451 /nfs/dbraw/zinc/11/24/51/450112451.db2.gz NBIXJIJBGRFMRG-DRAKQNMHSA-N 1 0 333.388 1.885 20 5 EDBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595447578 450148028 /nfs/dbraw/zinc/14/80/28/450148028.db2.gz NUGQUMVJDDXXDL-HNNXBMFYSA-N 1 0 348.403 1.647 20 5 EDBDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000599695411 450159128 /nfs/dbraw/zinc/15/91/28/450159128.db2.gz YDEKGVCEQJFGBS-STQMWFEESA-N 1 0 341.433 1.917 20 5 EDBDRO Cc1noc(C[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595542974 450220148 /nfs/dbraw/zinc/22/01/48/450220148.db2.gz GXIWQMDKOSIULZ-MRXNPFEDSA-N 1 0 330.344 1.520 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](c2ccco2)N2CCCC2)c1 ZINC000610335340 450194362 /nfs/dbraw/zinc/19/43/62/450194362.db2.gz HISNKOFLPWBQMC-LSDHHAIUSA-N 1 0 349.391 1.172 20 5 EDBDRO Cn1ccc(N2CCC[C@@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)C2=O)n1 ZINC000610341498 450196467 /nfs/dbraw/zinc/19/64/67/450196467.db2.gz XGNMLCYZCRDBKP-OAHLLOKOSA-N 1 0 343.387 1.656 20 5 EDBDRO O=C1[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCN1C1CCOCC1 ZINC000610479644 450236247 /nfs/dbraw/zinc/23/62/47/450236247.db2.gz LFTJCKWIQJANOJ-IMMZDGJCSA-N 1 0 345.399 1.978 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[NH+](C[C@@H]4CCCO4)CC3)nc2c1 ZINC000618583176 450252860 /nfs/dbraw/zinc/25/28/60/450252860.db2.gz ARGIFEYZTOOTNE-ZDUSSCGKSA-N 1 0 331.376 1.772 20 5 EDBDRO C[NH+](C)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)c2ccccc2O1 ZINC000610764806 450327439 /nfs/dbraw/zinc/32/74/39/450327439.db2.gz UZTUAVDHJZTTBZ-NSHDSACASA-N 1 0 330.344 1.892 20 5 EDBDRO Cc1c(CC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000184352944 533834808 /nfs/dbraw/zinc/83/48/08/533834808.db2.gz QNFRAYDSJDMIMQ-AWEZNQCLSA-N 1 0 348.447 1.588 20 5 EDBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000184371875 533919163 /nfs/dbraw/zinc/91/91/63/533919163.db2.gz NOVTWZOWDZKVEU-LLVKDONJSA-N 1 0 326.422 1.412 20 5 EDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000130009038 534578368 /nfs/dbraw/zinc/57/83/68/534578368.db2.gz SFHVTOWRFAHHDB-GFCCVEGCSA-N 1 0 329.360 1.510 20 5 EDBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000343567627 534909829 /nfs/dbraw/zinc/90/98/29/534909829.db2.gz JNGMOVRVMKUCIE-AWEZNQCLSA-N 1 0 349.387 1.986 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000237320520 536465445 /nfs/dbraw/zinc/46/54/45/536465445.db2.gz YXNVGFLZQJMNOE-GFCCVEGCSA-N 1 0 327.406 1.523 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000237319680 536465725 /nfs/dbraw/zinc/46/57/25/536465725.db2.gz FMIKNDWBFWBPJY-GFCCVEGCSA-N 1 0 327.406 1.523 20 5 EDBDRO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000173789965 527802251 /nfs/dbraw/zinc/80/22/51/527802251.db2.gz ALFWMKAYWDEWCF-BFHYXJOUSA-N 1 0 326.397 1.288 20 5 EDBDRO CC1([C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)OCCO1 ZINC000183827308 528058192 /nfs/dbraw/zinc/05/81/92/528058192.db2.gz HSDQXYPAMCLXPL-ZDUSSCGKSA-N 1 0 337.376 1.232 20 5 EDBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000351738555 535524451 /nfs/dbraw/zinc/52/44/51/535524451.db2.gz RAWCSUFKEKWPQA-UHFFFAOYSA-N 1 0 339.396 1.002 20 5 EDBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000261752959 536347086 /nfs/dbraw/zinc/34/70/86/536347086.db2.gz LWYNPAADNFYMCG-JTQLQIEISA-N 1 0 328.332 1.981 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000248161204 536377278 /nfs/dbraw/zinc/37/72/78/536377278.db2.gz SEFODUPWSJNXTC-UKRRQHHQSA-N 1 0 332.404 1.949 20 5 EDBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](CO)c1ccccc1 ZINC000264017961 536419086 /nfs/dbraw/zinc/41/90/86/536419086.db2.gz LJFBPYMVABAQDO-AEFFLSMTSA-N 1 0 346.383 2.000 20 5 EDBDRO CN(Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000742147453 579436349 /nfs/dbraw/zinc/43/63/49/579436349.db2.gz IJFHVQPYIKMFFZ-OAHLLOKOSA-N 1 0 342.403 1.979 20 5 EDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000742236722 579444071 /nfs/dbraw/zinc/44/40/71/579444071.db2.gz DUHOMHGMSSXZID-ZDUSSCGKSA-N 1 0 343.387 1.995 20 5 EDBDRO CN(CCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])S(C)(=O)=O ZINC000740003528 578492066 /nfs/dbraw/zinc/49/20/66/578492066.db2.gz ZMTSJSCNSNOQSB-UHFFFAOYSA-N 1 0 335.813 1.619 20 5 EDBDRO CC[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000729921187 578599849 /nfs/dbraw/zinc/59/98/49/578599849.db2.gz RUMYBIHTMPZPMA-CHWSQXEVSA-N 1 0 333.392 1.524 20 5 EDBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000732042788 578688173 /nfs/dbraw/zinc/68/81/73/578688173.db2.gz FUGMRCBRGQIZFN-AWEZNQCLSA-N 1 0 330.388 1.771 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000750860345 579784334 /nfs/dbraw/zinc/78/43/34/579784334.db2.gz VPHQCXLTVBPPIG-UHFFFAOYSA-N 1 0 335.408 1.705 20 5 EDBDRO C[C@H]1C[N@H+](CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C[C@H]1C ZINC000751930845 579828437 /nfs/dbraw/zinc/82/84/37/579828437.db2.gz VFKOQAWKGPDDTC-BWACUDIHSA-N 1 0 346.387 1.907 20 5 EDBDRO COC(=O)C[C@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000754529258 579905570 /nfs/dbraw/zinc/90/55/70/579905570.db2.gz XJSLMPLJQNCYCO-AWEZNQCLSA-N 1 0 335.360 1.773 20 5 EDBDRO COC(=O)C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000754541695 579906081 /nfs/dbraw/zinc/90/60/81/579906081.db2.gz ZDBVCGICGXEEKX-LSDHHAIUSA-N 1 0 347.371 1.631 20 5 EDBDRO C[NH+](C)CCn1cc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)ccc1=O ZINC000756063230 579942832 /nfs/dbraw/zinc/94/28/32/579942832.db2.gz OKUOLJNVMJWMES-UHFFFAOYSA-N 1 0 345.359 1.153 20 5 EDBDRO O=C(C[NH2+][C@@H](CCO)C1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000771801368 580294496 /nfs/dbraw/zinc/29/44/96/580294496.db2.gz ISFXVFYCSZVNAQ-NSHDSACASA-N 1 0 327.768 1.937 20 5 EDBDRO C[NH+](C)C1CC(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000773490657 580338792 /nfs/dbraw/zinc/33/87/92/580338792.db2.gz VRJHXYSJWKQNHX-QKFMDRJYSA-N 1 0 332.360 1.297 20 5 EDBDRO CN1CCC2(CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000773922051 580349335 /nfs/dbraw/zinc/34/93/35/580349335.db2.gz CZWBSDJPNUSSKZ-OAHLLOKOSA-N 1 0 333.388 1.573 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000781969134 580562116 /nfs/dbraw/zinc/56/21/16/580562116.db2.gz IAHQBNFYNJTWFS-WBMJQRKESA-N 1 0 346.387 1.498 20 5 EDBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000787579655 580698502 /nfs/dbraw/zinc/69/85/02/580698502.db2.gz XIIJQPGBUXPJNJ-UHFFFAOYSA-N 1 0 325.365 1.761 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](O)C[NH+](C)C ZINC000790268395 580765471 /nfs/dbraw/zinc/76/54/71/580765471.db2.gz OJSBSVIROSPTGM-SECBINFHSA-N 1 0 331.756 1.369 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@]2(CO)CCOc3ccccc32)cc1 ZINC000799337769 581025819 /nfs/dbraw/zinc/02/58/19/581025819.db2.gz PIOXIOCNRCIZJK-WMZOPIPTSA-N 1 0 344.367 1.888 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)c1 ZINC000800398697 581052283 /nfs/dbraw/zinc/05/22/83/581052283.db2.gz RJWLAQAPMYHYRJ-ZFWWWQNUSA-N 1 0 336.779 1.563 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000738371861 598831255 /nfs/dbraw/zinc/83/12/55/598831255.db2.gz YIDDYRWPIFVNAG-UHFFFAOYSA-N 1 0 329.364 1.449 20 5 EDBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000893093605 590656597 /nfs/dbraw/zinc/65/65/97/590656597.db2.gz VEIADDZAOKVWKU-NWDGAFQWSA-N 1 0 330.388 1.976 20 5 EDBDRO CCO[C@H](CNc1cc(C(=O)OC)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000896116199 591349239 /nfs/dbraw/zinc/34/92/39/591349239.db2.gz QCOOGDXEXKVRQJ-GFCCVEGCSA-N 1 0 325.365 1.760 20 5 EDBDRO COC(=O)[C@H]1[C@H](CN(CC[NH3+])c2ccccc2[N+](=O)[O-])C1(F)F ZINC000894762306 591413782 /nfs/dbraw/zinc/41/37/82/591413782.db2.gz VKQINOCVBBABGF-JOYOIKCWSA-N 1 0 329.303 1.414 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCCO2)N1CC([NH+]2CCCC2)C1 ZINC000898597796 591431151 /nfs/dbraw/zinc/43/11/51/591431151.db2.gz JGXKFIHXOAUERM-UHFFFAOYSA-N 1 0 347.371 1.676 20 5 EDBDRO COc1c(O)ccc(CN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)c1[N+](=O)[O-] ZINC000894953665 591498540 /nfs/dbraw/zinc/49/85/40/591498540.db2.gz HDOGLCLPPQDBSE-RYUDHWBXSA-N 1 0 339.392 1.196 20 5 EDBDRO O=C1N(CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C[C@H]2CCCCN12 ZINC000895343554 591721939 /nfs/dbraw/zinc/72/19/39/591721939.db2.gz KGJDSFWXAYUDCT-ROKHWSDSSA-N 1 0 348.407 1.375 20 5 EDBDRO O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000899219539 591731156 /nfs/dbraw/zinc/73/11/56/591731156.db2.gz XVIXDDSRRUCOCD-CQSZACIVSA-N 1 0 342.355 1.802 20 5 EDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@]12CC[NH2+]C2 ZINC000900451209 592021185 /nfs/dbraw/zinc/02/11/85/592021185.db2.gz UCGXPSDCQUDKSR-AWEZNQCLSA-N 1 0 325.390 1.331 20 5 EDBDRO C[N@@H+]1CCC[C@](O)(CC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000901015490 592197474 /nfs/dbraw/zinc/19/74/74/592197474.db2.gz CHSIWVMOTQOTQK-HNNXBMFYSA-N 1 0 341.795 1.711 20 5 EDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000903590312 592234406 /nfs/dbraw/zinc/23/44/06/592234406.db2.gz UKBMQTKUYVEGTA-UHFFFAOYSA-N 1 0 335.813 1.867 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000903593138 592237009 /nfs/dbraw/zinc/23/70/09/592237009.db2.gz KFXXZLXWDWYYKR-HNNXBMFYSA-N 1 0 339.417 1.295 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000903593890 592237263 /nfs/dbraw/zinc/23/72/63/592237263.db2.gz YQPBHYSDLXFINW-HNNXBMFYSA-N 1 0 339.417 1.728 20 5 EDBDRO COc1cc(CNC[C@@H]2C[NH2+]CCC2(F)F)c([N+](=O)[O-])cc1OC ZINC000903954274 592395958 /nfs/dbraw/zinc/39/59/58/592395958.db2.gz CFSQXGXIDNQIPZ-NSHDSACASA-N 1 0 345.346 1.946 20 5 EDBDRO Cc1cc(Br)cn2cc(CC[NH2+]CC[N+](=O)[O-])nc12 ZINC000905208821 592465769 /nfs/dbraw/zinc/46/57/69/592465769.db2.gz OBRRGSKTWKVRNJ-UHFFFAOYSA-N 1 0 327.182 1.814 20 5 EDBDRO C[C@@H]1C[NH2+]C[C@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000905686594 592613015 /nfs/dbraw/zinc/61/30/15/592613015.db2.gz CGTWEAXGWZFHHI-HIFRSBDPSA-N 1 0 334.420 1.694 20 5 EDBDRO C[C@@H](CNS(=O)(=O)CCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000907458700 592666136 /nfs/dbraw/zinc/66/61/36/592666136.db2.gz WUVLWHVKYLTJAC-LBPRGKRZSA-N 1 0 329.422 1.569 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c([N+](=O)[O-])s1 ZINC000907564227 592711088 /nfs/dbraw/zinc/71/10/88/592711088.db2.gz LZGPWXIUMXBENC-MFKMUULPSA-N 1 0 345.446 1.537 20 5 EDBDRO Cc1c(CNC(=O)CCN2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000907696227 592760300 /nfs/dbraw/zinc/76/03/00/592760300.db2.gz SULKBMQFHLLHMP-UHFFFAOYSA-N 1 0 348.447 1.936 20 5 EDBDRO C[C@@H](CNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)[N@H+](C)C1CC1 ZINC000906542470 592847530 /nfs/dbraw/zinc/84/75/30/592847530.db2.gz GFRLQZDPXMGUDW-NSHDSACASA-N 1 0 349.387 1.969 20 5 EDBDRO CN1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C[NH3+])C1 ZINC000911879865 593029832 /nfs/dbraw/zinc/02/98/32/593029832.db2.gz QGKGJNVEVKRTLL-ZDUSSCGKSA-N 1 0 340.811 1.282 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000911884766 593030557 /nfs/dbraw/zinc/03/05/57/593030557.db2.gz RVTXEPLDZGQPKD-QMTHXVAHSA-N 1 0 341.795 1.755 20 5 EDBDRO CCO[C@H]1C[NH2+][C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000911973632 593043590 /nfs/dbraw/zinc/04/35/90/593043590.db2.gz MZZROGDWNHGTME-HZPDHXFCSA-N 1 0 348.403 1.010 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000782946786 593130837 /nfs/dbraw/zinc/13/08/37/593130837.db2.gz FIJFIXHBJBNPFI-JTQLQIEISA-N 1 0 347.462 1.838 20 5 EDBDRO CC[C@@H]1C[N@H+](C)CCN1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000840093027 593168051 /nfs/dbraw/zinc/16/80/51/593168051.db2.gz FXIHEQRBNRUVEW-LLVKDONJSA-N 1 0 332.360 1.174 20 5 EDBDRO Cc1c(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000809562746 593346141 /nfs/dbraw/zinc/34/61/41/593346141.db2.gz JDOUDYJUNXRAJN-KBPBESRZSA-N 1 0 341.433 1.711 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cnc(C3OCCO3)s2)c1 ZINC000809627139 593350514 /nfs/dbraw/zinc/35/05/14/593350514.db2.gz OQOLBHXHPQUNIS-UHFFFAOYSA-N 1 0 325.350 1.083 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(c3nc4ccccn4c3[N+](=O)[O-])[C@H]2C1 ZINC000814905655 593606424 /nfs/dbraw/zinc/60/64/24/593606424.db2.gz MOYVOLMJGAIKHN-QWHCGFSZSA-N 1 0 331.376 1.542 20 5 EDBDRO C[C@H]([NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815601223 593643903 /nfs/dbraw/zinc/64/39/03/593643903.db2.gz QKJJJKDURYSMPW-JVLSTEMRSA-N 1 0 336.392 1.463 20 5 EDBDRO C[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815615694 593644360 /nfs/dbraw/zinc/64/43/60/593644360.db2.gz VGZKRRFKCDVWLC-JQWIXIFHSA-N 1 0 327.406 1.795 20 5 EDBDRO Cn1ncc(CCC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000815639706 593645126 /nfs/dbraw/zinc/64/51/26/593645126.db2.gz FHKFMPGRRBMQGE-UHFFFAOYSA-N 1 0 344.419 1.915 20 5 EDBDRO C[C@@H]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000818009566 593656990 /nfs/dbraw/zinc/65/69/90/593656990.db2.gz WBLCWOHGKHKKEC-DGCLKSJQSA-N 1 0 331.376 1.388 20 5 EDBDRO C[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[NH2+]C1 ZINC000818533229 593703657 /nfs/dbraw/zinc/70/36/57/593703657.db2.gz HEVTYWLTTOUXKW-NEPJUHHUSA-N 1 0 331.376 1.449 20 5 EDBDRO O=C(NCC1=CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000818579958 593705482 /nfs/dbraw/zinc/70/54/82/593705482.db2.gz YYLSFJNUDDLMFG-UHFFFAOYSA-N 1 0 346.387 1.081 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2CCS(=O)(=O)CC2)cc1 ZINC000819189710 593743655 /nfs/dbraw/zinc/74/36/55/593743655.db2.gz VHGVSDXSVCBHLG-AWEZNQCLSA-N 1 0 328.390 1.043 20 5 EDBDRO CC(=O)Nc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000819271396 593747725 /nfs/dbraw/zinc/74/77/25/593747725.db2.gz ACZAVQNNLMRGKD-HNNXBMFYSA-N 1 0 330.344 1.771 20 5 EDBDRO C[NH+]1CCC(ONC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000819688711 593763437 /nfs/dbraw/zinc/76/34/37/593763437.db2.gz LHTRLIMCBWJKTB-UHFFFAOYSA-N 1 0 345.359 1.536 20 5 EDBDRO CC(C)C[N@@H+]1CC[C@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820092459 593790209 /nfs/dbraw/zinc/79/02/09/593790209.db2.gz MFMTYYBXIAFVTF-LLVKDONJSA-N 1 0 346.395 1.560 20 5 EDBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[N@@H+]1C1CC1 ZINC000820664505 593857402 /nfs/dbraw/zinc/85/74/02/593857402.db2.gz AZAYTMBGWQRHQB-NXEZZACHSA-N 1 0 329.364 1.812 20 5 EDBDRO CC[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000820908106 593920173 /nfs/dbraw/zinc/92/01/73/593920173.db2.gz JHWVGHOOHYPFJC-JTQLQIEISA-N 1 0 332.368 1.456 20 5 EDBDRO Nc1c(C(=O)N2CC[N@@H+]3CC[C@H]2C3)cc(Cl)c(F)c1[N+](=O)[O-] ZINC000821021333 593948097 /nfs/dbraw/zinc/94/80/97/593948097.db2.gz OYDVKJQMVGSELB-ZETCQYMHSA-N 1 0 328.731 1.500 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000825189163 594144487 /nfs/dbraw/zinc/14/44/87/594144487.db2.gz XRZRMQOJZNEIOC-OLZOCXBDSA-N 1 0 348.403 1.289 20 5 EDBDRO COC[C@]1(c2nc(Cc3cc(OC)ccc3[N+](=O)[O-])no2)CC[NH2+]C1 ZINC000823089774 594151404 /nfs/dbraw/zinc/15/14/04/594151404.db2.gz XXIKXJGLWAQRTR-INIZCTEOSA-N 1 0 348.359 1.455 20 5 EDBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1C ZINC000825451239 594187217 /nfs/dbraw/zinc/18/72/17/594187217.db2.gz HMXUAPIPOROPMD-GHMZBOCLSA-N 1 0 331.380 1.694 20 5 EDBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC2)C1 ZINC000825863199 594264869 /nfs/dbraw/zinc/26/48/69/594264869.db2.gz NZIXWNPOJANKRE-CQSZACIVSA-N 1 0 326.441 1.060 20 5 EDBDRO Cc1cc(OCC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000827269036 594657765 /nfs/dbraw/zinc/65/77/65/594657765.db2.gz UZNZYOONEVWSTL-CZUORRHYSA-N 1 0 333.388 1.835 20 5 EDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000827332797 594661986 /nfs/dbraw/zinc/66/19/86/594661986.db2.gz SBUWWTBXOJNVHG-IMJJTQAJSA-N 1 0 333.388 1.571 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827340343 594662786 /nfs/dbraw/zinc/66/27/86/594662786.db2.gz ZGMHXGPZBMDIOZ-KBPBESRZSA-N 1 0 333.388 1.916 20 5 EDBDRO CC[NH2+]CC1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000832824682 594779415 /nfs/dbraw/zinc/77/94/15/594779415.db2.gz OMXQSNIEUIJVAY-UHFFFAOYSA-N 1 0 345.403 1.793 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000841457922 594903885 /nfs/dbraw/zinc/90/38/85/594903885.db2.gz XCFLSQXUTGMQPR-CMOQBRTCSA-N 1 0 347.415 1.912 20 5 EDBDRO CC[C@H](C)[NH+]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000837004734 595022965 /nfs/dbraw/zinc/02/29/65/595022965.db2.gz AUUIHQFAPMYBNT-ZDUSSCGKSA-N 1 0 345.403 1.887 20 5 EDBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H]([NH3+])C1 ZINC000843345573 595081418 /nfs/dbraw/zinc/08/14/18/595081418.db2.gz XWBDPQIKMVXOGM-VHSXEESVSA-N 1 0 326.784 1.998 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](O)Cc2ccc(F)cc2)cc1 ZINC000834353694 595100956 /nfs/dbraw/zinc/10/09/56/595100956.db2.gz MLIPBIFZATWVOA-SJORKVTESA-N 1 0 334.347 1.961 20 5 EDBDRO CCN(OC)C(=O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000843429979 595109619 /nfs/dbraw/zinc/10/96/19/595109619.db2.gz FIYIOBBCVAGTGW-UHFFFAOYSA-N 1 0 336.392 1.563 20 5 EDBDRO O=C(CCN1C[C@H]2CCC[C@@H](C1)[NH2+]2)Nc1cc([N+](=O)[O-])ccc1F ZINC000842474338 595114078 /nfs/dbraw/zinc/11/40/78/595114078.db2.gz OGKBXVXIPIRPPM-TXEJJXNPSA-N 1 0 336.367 1.889 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000842481476 595117577 /nfs/dbraw/zinc/11/75/77/595117577.db2.gz LNYMROZEFWARMN-SNVBAGLBSA-N 1 0 333.797 1.669 20 5 EDBDRO CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000846034866 595127947 /nfs/dbraw/zinc/12/79/47/595127947.db2.gz QYEMFDJILSCRCO-SNVBAGLBSA-N 1 0 333.797 1.372 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000843796654 595188873 /nfs/dbraw/zinc/18/88/73/595188873.db2.gz UDYUWQXLLZVPGJ-OAHLLOKOSA-N 1 0 348.359 1.978 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000842869283 595220888 /nfs/dbraw/zinc/22/08/88/595220888.db2.gz IJDCZVQJBPVBTG-NSHDSACASA-N 1 0 347.824 1.914 20 5 EDBDRO Cc1ccc([C@H](O)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000843112418 595289149 /nfs/dbraw/zinc/28/91/49/595289149.db2.gz ROHVWWBHSZPLEV-FUHWJXTLSA-N 1 0 346.383 1.966 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)NCC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000867438249 595311571 /nfs/dbraw/zinc/31/15/71/595311571.db2.gz AVWOFCYOKGUQTD-UHFFFAOYSA-N 1 0 347.824 1.929 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000844334594 595327427 /nfs/dbraw/zinc/32/74/27/595327427.db2.gz KFGXMODPOUWOER-QGZVFWFLSA-N 1 0 349.431 1.455 20 5 EDBDRO COC(=O)[C@H]1CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848474237 595388548 /nfs/dbraw/zinc/38/85/48/595388548.db2.gz BRVUWQPAMKDCFC-LBPRGKRZSA-N 1 0 330.344 1.911 20 5 EDBDRO Cc1c(Cc2noc([C@]34C[NH2+]C[C@H]3COC4)n2)cccc1[N+](=O)[O-] ZINC000844914240 595413337 /nfs/dbraw/zinc/41/33/37/595413337.db2.gz ZKKQECCFILZLNB-LRDDRELGSA-N 1 0 330.344 1.364 20 5 EDBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000847416612 595414537 /nfs/dbraw/zinc/41/45/37/595414537.db2.gz ORPHPTNUOQNCMN-UHFFFAOYSA-N 1 0 343.387 1.906 20 5 EDBDRO C[NH+]1CCC(CNC(=S)NNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000849288666 595501783 /nfs/dbraw/zinc/50/17/83/595501783.db2.gz LKROVXUPDJOODU-UHFFFAOYSA-N 1 0 341.412 1.867 20 5 EDBDRO O=C(Cn1cnc([N+](=O)[O-])n1)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117094662 595531089 /nfs/dbraw/zinc/53/10/89/595531089.db2.gz JECRPONOGIBMFV-CYBMUJFWSA-N 1 0 331.332 1.004 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852805945 595550494 /nfs/dbraw/zinc/55/04/94/595550494.db2.gz CNURGGFXKDPGCA-JTQLQIEISA-N 1 0 326.740 1.310 20 5 EDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857767342 595600630 /nfs/dbraw/zinc/60/06/30/595600630.db2.gz AYCLAZPZRMFULD-VHSXEESVSA-N 1 0 329.303 1.905 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000860162153 595601142 /nfs/dbraw/zinc/60/11/42/595601142.db2.gz SFAGZHAZELAIBW-ZYHUDNBSSA-N 1 0 349.343 1.037 20 5 EDBDRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCCC1 ZINC000850842426 595650858 /nfs/dbraw/zinc/65/08/58/595650858.db2.gz WBLDZTUDFKNRER-UHFFFAOYSA-N 1 0 340.767 1.574 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000853410825 595748505 /nfs/dbraw/zinc/74/85/05/595748505.db2.gz AAZDDFNDSWVVGE-ZYHUDNBSSA-N 1 0 342.421 1.527 20 5 EDBDRO Cc1nn(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000853521954 595782561 /nfs/dbraw/zinc/78/25/61/595782561.db2.gz IHRGVUGFGXPFCG-LBPRGKRZSA-N 1 0 342.363 1.219 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCOCCS(C)(=O)=O ZINC000850444177 595834895 /nfs/dbraw/zinc/83/48/95/595834895.db2.gz HLKDPRYZZUDWHE-NSHDSACASA-N 1 0 346.405 1.315 20 5 EDBDRO Nc1ccc(-c2noc(-c3c[nH]nc3[C@H]3CC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000854135048 595986686 /nfs/dbraw/zinc/98/66/86/595986686.db2.gz XCOCVIDUUQVQCC-VIFPVBQESA-N 1 0 341.331 1.694 20 5 EDBDRO C[NH+]1CCC(ONC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000854357441 596050806 /nfs/dbraw/zinc/05/08/06/596050806.db2.gz FVXWKQHEWAPLSR-UHFFFAOYSA-N 1 0 329.303 1.558 20 5 EDBDRO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861716315 596078598 /nfs/dbraw/zinc/07/85/98/596078598.db2.gz RANQCDYURDCRKZ-WDEREUQCSA-N 1 0 339.779 1.529 20 5 EDBDRO C[NH+](C)C[C@H](CO)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000854465377 596088112 /nfs/dbraw/zinc/08/81/12/596088112.db2.gz QPHRDYWHNKCFFG-MRVPVSSYSA-N 1 0 336.175 1.554 20 5 EDBDRO CN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CCC([NH3+])CC1 ZINC000856999529 596135329 /nfs/dbraw/zinc/13/53/29/596135329.db2.gz NQADEPFRYSFJMW-UHFFFAOYSA-N 1 0 349.391 1.445 20 5 EDBDRO CCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC[NH+](C)CC1 ZINC000861895592 596140345 /nfs/dbraw/zinc/14/03/45/596140345.db2.gz YIDGUNMRQRYURU-UHFFFAOYSA-N 1 0 345.403 1.887 20 5 EDBDRO O=C1OCCN1C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000852723542 596233365 /nfs/dbraw/zinc/23/33/65/596233365.db2.gz ZGUBJBANBULVTB-UHFFFAOYSA-N 1 0 335.360 1.890 20 5 EDBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000120044645 596239569 /nfs/dbraw/zinc/23/95/69/596239569.db2.gz DHPNPIAAVPRFIO-PWSUYJOCSA-N 1 0 345.446 1.761 20 5 EDBDRO Cc1c([C@H](C)[NH2+]C[C@]23COCCN2C(=O)COC3)cccc1[N+](=O)[O-] ZINC000866553859 596248327 /nfs/dbraw/zinc/24/83/27/596248327.db2.gz DVFIZUPYVROWLV-SUMWQHHRSA-N 1 0 349.387 1.182 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c(C)cc1[N+](=O)[O-] ZINC000866824713 596366279 /nfs/dbraw/zinc/36/62/79/596366279.db2.gz UZYNCKJBWBRFOG-CHWSQXEVSA-N 1 0 339.417 1.727 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1F ZINC000867484691 596392534 /nfs/dbraw/zinc/39/25/34/596392534.db2.gz IBLVDUZGYHOBFV-PHIMTYICSA-N 1 0 345.396 1.661 20 5 EDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000870895045 596394038 /nfs/dbraw/zinc/39/40/38/596394038.db2.gz SKDAEDOQUXMDGZ-KBXCAEBGSA-N 1 0 348.447 1.959 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000867812493 596564755 /nfs/dbraw/zinc/56/47/55/596564755.db2.gz KKBOZUWCTRSASP-MFKMUULPSA-N 1 0 343.380 1.449 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865504117 596592899 /nfs/dbraw/zinc/59/28/99/596592899.db2.gz BWGJYTPUKJTUQZ-LBPRGKRZSA-N 1 0 327.356 1.749 20 5 EDBDRO C[NH2+]CCOCCN(C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000863553060 596616373 /nfs/dbraw/zinc/61/63/73/596616373.db2.gz ZXURQFVJNTYWPJ-UHFFFAOYSA-N 1 0 344.799 1.355 20 5 EDBDRO C[C@]12C[NH2+]C[C@H]1CN(CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)C2 ZINC000872153724 596814895 /nfs/dbraw/zinc/81/48/95/596814895.db2.gz OBQBBKLQSOUQTJ-SUMWQHHRSA-N 1 0 330.388 1.025 20 5 EDBDRO Cn1c2cc([N+](=O)[O-])c(N3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)cc2n(C)c1=O ZINC000866208533 596827746 /nfs/dbraw/zinc/82/77/46/596827746.db2.gz NEMNXIROBDUCPE-VXGBXAGGSA-N 1 0 345.403 1.316 20 5 EDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1nnnn1CC1CC1 ZINC000866339545 596861474 /nfs/dbraw/zinc/86/14/74/596861474.db2.gz BVTZCPWJNWJODN-JTQLQIEISA-N 1 0 334.355 1.851 20 5 EDBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1(OCCO)CCOC1 ZINC000866389845 596873706 /nfs/dbraw/zinc/87/37/06/596873706.db2.gz WXFFYXZPVGSZCQ-BLLLJJGKSA-N 1 0 342.367 1.423 20 5 EDBDRO COCCN(CC1CC[NH+](C)CC1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000872632009 597000635 /nfs/dbraw/zinc/00/06/35/597000635.db2.gz QUNZOJAYZXSKPR-UHFFFAOYSA-N 1 0 325.413 1.347 20 5 EDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000872664454 597019767 /nfs/dbraw/zinc/01/97/67/597019767.db2.gz SSDNYNICSYGSDC-GJZGRUSLSA-N 1 0 339.417 1.593 20 5 EDBDRO O=[N+]([O-])c1c2cccnc2ccc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872758274 597059995 /nfs/dbraw/zinc/05/99/95/597059995.db2.gz XPDGZQDACRFUFX-QWHCGFSZSA-N 1 0 328.372 1.788 20 5 EDBDRO Cc1cc(OCC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)ccc1[N+](=O)[O-] ZINC000874831263 597189411 /nfs/dbraw/zinc/18/94/11/597189411.db2.gz YXVPOSUOBBBCJP-HZPDHXFCSA-N 1 0 333.388 1.977 20 5 EDBDRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000876470743 597212427 /nfs/dbraw/zinc/21/24/27/597212427.db2.gz ZPZVPHQPMFUNFQ-MRXNPFEDSA-N 1 0 337.376 1.014 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000877369906 597503411 /nfs/dbraw/zinc/50/34/11/597503411.db2.gz YHKOWDIKWSSQKI-JOYOIKCWSA-N 1 0 347.293 1.569 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000877743021 597552479 /nfs/dbraw/zinc/55/24/79/597552479.db2.gz SVSPZZZOGOBWOY-DZGCQCFKSA-N 1 0 333.388 1.907 20 5 EDBDRO CN1CC[NH+](C2CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000877746059 597552615 /nfs/dbraw/zinc/55/26/15/597552615.db2.gz GGKFVOUDCVNFBM-UHFFFAOYSA-N 1 0 336.411 1.946 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)C1CC1 ZINC000878329644 597595905 /nfs/dbraw/zinc/59/59/05/597595905.db2.gz QRMNVFANVYZQOL-CQSZACIVSA-N 1 0 349.387 1.826 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000131318077 597694065 /nfs/dbraw/zinc/69/40/65/597694065.db2.gz BEOFSECSUHUJEQ-CYBMUJFWSA-N 1 0 346.387 1.878 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NCCC[NH+](C)C ZINC000881732760 597695988 /nfs/dbraw/zinc/69/59/88/597695988.db2.gz OSDYBZINVDFQOH-UHFFFAOYSA-N 1 0 335.813 1.787 20 5 EDBDRO CCOc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000880071293 597831507 /nfs/dbraw/zinc/83/15/07/597831507.db2.gz GHJPJMHQGDQCMT-LSDHHAIUSA-N 1 0 335.404 1.634 20 5 EDBDRO O=C(OCCn1cnc([N+](=O)[O-])n1)[C@H]1CCCN1Cc1ccccc1 ZINC000133041085 597927563 /nfs/dbraw/zinc/92/75/63/597927563.db2.gz INEOLFTUQMJENS-CQSZACIVSA-N 1 0 345.359 1.394 20 5 EDBDRO CO[C@H]1COCC[C@@H]1N(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000880428580 597930279 /nfs/dbraw/zinc/93/02/79/597930279.db2.gz BTSKEMLZFFAPMI-GJZGRUSLSA-N 1 0 337.376 1.293 20 5 EDBDRO C[NH+]1CCN(Cc2cn(Cc3ccc([N+](=O)[O-])c(F)c3)nn2)CC1 ZINC000881213942 598099825 /nfs/dbraw/zinc/09/98/25/598099825.db2.gz UOUDIEWUCSKOKL-UHFFFAOYSA-N 1 0 334.355 1.121 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(C)CCN(C(=O)C(F)F)CC1 ZINC000939892634 700029631 /nfs/dbraw/zinc/02/96/31/700029631.db2.gz ZTMRPLGKDCLWSV-UHFFFAOYSA-N 1 0 331.323 1.064 20 5 EDBDRO CC(C)C[NH+]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000915281006 695778530 /nfs/dbraw/zinc/77/85/30/695778530.db2.gz FAQZPVRQZWEMIA-UHFFFAOYSA-N 1 0 345.403 1.745 20 5 EDBDRO O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000918359498 697157354 /nfs/dbraw/zinc/15/73/54/697157354.db2.gz BZLTZWLFTYPAJV-UHFFFAOYSA-N 1 0 343.387 1.704 20 5 EDBDRO O=C(NCC1C[NH+](Cc2ccc(C(F)F)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031662321 697437971 /nfs/dbraw/zinc/43/79/71/697437971.db2.gz BCFYNTJCIRCCBE-ZIAGYGMSSA-N 1 0 339.342 1.837 20 5 EDBDRO Cc1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)n1 ZINC000940107965 700220002 /nfs/dbraw/zinc/22/00/02/700220002.db2.gz SXEVJWASTMSLCI-HZPDHXFCSA-N 1 0 346.431 1.834 20 5 EDBDRO O=C(c1ccncn1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997098379 703337498 /nfs/dbraw/zinc/33/74/98/703337498.db2.gz FKCCNALRXCSUPV-UHFFFAOYSA-N 1 0 341.371 1.779 20 5 EDBDRO O=C(c1cccnn1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997113007 703363673 /nfs/dbraw/zinc/36/36/73/703363673.db2.gz GRNGSDUMZMGZAL-UHFFFAOYSA-N 1 0 341.371 1.779 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CC1CCN(C(=O)c2ccco2)CC1 ZINC000997478439 703735578 /nfs/dbraw/zinc/73/55/78/703735578.db2.gz VVWFSJOKJJDVCW-UHFFFAOYSA-N 1 0 347.375 1.563 20 5 EDBDRO COc1cc(C[NH2+]C[C@]2(OC)CCSC2)c([N+](=O)[O-])cc1O ZINC000922571961 704013525 /nfs/dbraw/zinc/01/35/25/704013525.db2.gz QASKDBBGIFLQND-CQSZACIVSA-N 1 0 328.390 1.921 20 5 EDBDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000922589360 704095791 /nfs/dbraw/zinc/09/57/91/704095791.db2.gz JXONOBFYAAGFKF-ZDUSSCGKSA-N 1 0 339.392 1.509 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922849622 704437433 /nfs/dbraw/zinc/43/74/33/704437433.db2.gz YNIUAJKAKDSZAG-UHFFFAOYSA-N 1 0 347.415 1.897 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCCn2ccnc2)cc1 ZINC000558119734 306235733 /nfs/dbraw/zinc/23/57/33/306235733.db2.gz LKNOMGITRMHYBA-UHFFFAOYSA-N 1 0 338.389 1.245 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1csc([N+](=O)[O-])c1 ZINC000362797008 282223586 /nfs/dbraw/zinc/22/35/86/282223586.db2.gz LRHNHNBYQLCCGI-FRRDWIJNSA-N 1 0 339.417 1.980 20 5 EDBDRO CNC(=O)CC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000181679017 529856747 /nfs/dbraw/zinc/85/67/47/529856747.db2.gz HTMLKKQAEZXCQD-UHFFFAOYSA-N 1 0 326.328 1.130 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C2CCSCC2)cc1 ZINC000126742607 222745282 /nfs/dbraw/zinc/74/52/82/222745282.db2.gz BHMKTTRYOYUINZ-UHFFFAOYSA-N 1 0 345.446 1.358 20 5 EDBDRO Cc1ccc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000065978416 215001818 /nfs/dbraw/zinc/00/18/18/215001818.db2.gz RQMBNOLGOCXSMM-UHFFFAOYSA-N 1 0 349.412 1.971 20 5 EDBDRO Cn1nccc1[C@@H]1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC(=O)N1C ZINC000343464719 282879796 /nfs/dbraw/zinc/87/97/96/282879796.db2.gz WGOUKMWZDGRFBB-PBHICJAKSA-N 1 0 343.387 1.780 20 5 EDBDRO Cc1ccccc1[C@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000563002617 306315478 /nfs/dbraw/zinc/31/54/78/306315478.db2.gz IIWAIFWMKXBNOC-DZKIICNBSA-N 1 0 330.388 1.996 20 5 EDBDRO CN1CC[NH2+]C[C@H]1CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000394744879 303854297 /nfs/dbraw/zinc/85/42/97/303854297.db2.gz VMLITMKSABUHKP-JTQLQIEISA-N 1 0 329.198 1.673 20 5 EDBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000184324453 235367010 /nfs/dbraw/zinc/36/70/10/235367010.db2.gz PVRQQXMCZOWTRK-LBPRGKRZSA-N 1 0 338.383 1.490 20 5 EDBDRO O=[N+]([O-])c1cnc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(F)c1 ZINC000413055041 304052891 /nfs/dbraw/zinc/05/28/91/304052891.db2.gz SGHIYUVYRVZWLR-OAHLLOKOSA-N 1 0 346.362 1.960 20 5 EDBDRO COC(=O)[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413492106 304062801 /nfs/dbraw/zinc/06/28/01/304062801.db2.gz CDXVTGHZMZDLHH-LBPRGKRZSA-N 1 0 344.371 1.684 20 5 EDBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187014407 236095043 /nfs/dbraw/zinc/09/50/43/236095043.db2.gz DMOZHCBHJXLADM-IJLUTSLNSA-N 1 0 336.392 1.792 20 5 EDBDRO CO[C@H]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000564835750 306366213 /nfs/dbraw/zinc/36/62/13/306366213.db2.gz PGBVHCDGURLAAE-QWRGUYRKSA-N 1 0 339.417 1.895 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000564960167 306371451 /nfs/dbraw/zinc/37/14/51/306371451.db2.gz CIOGUHWVDDNSAR-GHMZBOCLSA-N 1 0 327.406 1.528 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112919113 201066446 /nfs/dbraw/zinc/06/64/46/201066446.db2.gz BXFWDTQZOKLTEK-UHFFFAOYSA-N 1 0 335.408 1.516 20 5 EDBDRO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000359973920 201120845 /nfs/dbraw/zinc/12/08/45/201120845.db2.gz MRFBFVAQOPOQOH-CYBMUJFWSA-N 1 0 331.332 1.420 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000070825904 201169810 /nfs/dbraw/zinc/16/98/10/201169810.db2.gz XWTKKYZSTTYOCQ-UHFFFAOYSA-N 1 0 335.408 1.516 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000155190916 201397214 /nfs/dbraw/zinc/39/72/14/201397214.db2.gz GRQCXAFEIKCMCL-CYBMUJFWSA-N 1 0 345.808 1.622 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC[NH+](C)C)C1CC1 ZINC000414464648 304117049 /nfs/dbraw/zinc/11/70/49/304117049.db2.gz PZLIVHNKKORVMF-UHFFFAOYSA-N 1 0 343.405 1.318 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000369773916 283855447 /nfs/dbraw/zinc/85/54/47/283855447.db2.gz RKAXRJQEUCLIAS-KBPBESRZSA-N 1 0 333.388 1.964 20 5 EDBDRO O=C(CC[NH2+][C@@H](CO)[C@@H]1CCCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000566233028 306405006 /nfs/dbraw/zinc/40/50/06/306405006.db2.gz WWZLFKOXFQUSPJ-OCCSQVGLSA-N 1 0 337.376 1.301 20 5 EDBDRO CC(C)C[C@H]([NH3+])CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000414732607 304134179 /nfs/dbraw/zinc/13/41/79/304134179.db2.gz CVEKOYSYKDRTGE-HNNXBMFYSA-N 1 0 334.420 1.726 20 5 EDBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000065142278 202825931 /nfs/dbraw/zinc/82/59/31/202825931.db2.gz ASPGGSRBTWXTHB-BETUJISGSA-N 1 0 337.424 1.664 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](CCc2cccc(F)c2)C2CC2)c1 ZINC000075743835 203322418 /nfs/dbraw/zinc/32/24/18/203322418.db2.gz ZNVOXQOVCQTIFX-QGZVFWFLSA-N 1 0 348.378 1.998 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCCc3ccccc32)c1 ZINC000566952910 306433893 /nfs/dbraw/zinc/43/38/93/306433893.db2.gz SNKWNRNQMOUYFM-GDBMZVCRSA-N 1 0 330.388 1.862 20 5 EDBDRO C[NH+]1CCC(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000109984190 204298312 /nfs/dbraw/zinc/29/83/12/204298312.db2.gz RVUPNADCWGMHJR-UHFFFAOYSA-N 1 0 330.344 1.260 20 5 EDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000567261807 306444683 /nfs/dbraw/zinc/44/46/83/306444683.db2.gz ONIHHFCAVQRPJM-QWHCGFSZSA-N 1 0 348.403 1.241 20 5 EDBDRO CC1(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000229626967 139023986 /nfs/dbraw/zinc/02/39/86/139023986.db2.gz ASZDXKIQEOUZKP-UHFFFAOYSA-N 1 0 333.797 1.669 20 5 EDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000236653307 139027678 /nfs/dbraw/zinc/02/76/78/139027678.db2.gz YBDSWZIPOPPCAR-JTQLQIEISA-N 1 0 332.360 1.540 20 5 EDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000236664202 139027934 /nfs/dbraw/zinc/02/79/34/139027934.db2.gz KXEVMQOBSQHVPO-LBPRGKRZSA-N 1 0 332.364 1.279 20 5 EDBDRO COc1cc(OCC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000237225433 139044882 /nfs/dbraw/zinc/04/48/82/139044882.db2.gz ZLQOAFPZZZKOKA-NWDGAFQWSA-N 1 0 337.376 1.568 20 5 EDBDRO C[NH2+]CC1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000237359475 139049057 /nfs/dbraw/zinc/04/90/57/139049057.db2.gz BWQWNZKXWZNYSU-UHFFFAOYSA-N 1 0 327.406 1.523 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000237374769 139049555 /nfs/dbraw/zinc/04/95/55/139049555.db2.gz GOOLOHSDZKECTA-OLZOCXBDSA-N 1 0 343.387 1.980 20 5 EDBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CC[NH2+]C1 ZINC000126814400 205074044 /nfs/dbraw/zinc/07/40/44/205074044.db2.gz OLNOSXRFBWXTDV-JTQLQIEISA-N 1 0 346.309 1.894 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000131428418 205287945 /nfs/dbraw/zinc/28/79/45/205287945.db2.gz KWELKXHGNOOTDQ-INIZCTEOSA-N 1 0 335.404 1.490 20 5 EDBDRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000111339956 220141310 /nfs/dbraw/zinc/14/13/10/220141310.db2.gz AHLLIXOLXKBWEN-UHFFFAOYSA-N 1 0 333.435 1.619 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC(C[NH3+])CC2)c1C ZINC000237778705 139060117 /nfs/dbraw/zinc/06/01/17/139060117.db2.gz KKAYWCWJDYPEMW-UHFFFAOYSA-N 1 0 327.406 1.571 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCCC[NH2+]Cc1cccnc1 ZINC000238105180 139069087 /nfs/dbraw/zinc/06/90/87/139069087.db2.gz DWZMOMVDOWEEGB-UHFFFAOYSA-N 1 0 328.372 1.828 20 5 EDBDRO Cc1sc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000160594095 206304631 /nfs/dbraw/zinc/30/46/31/206304631.db2.gz QKAXOVBZNLRXSR-LLVKDONJSA-N 1 0 327.406 1.541 20 5 EDBDRO CC(C)(C(=O)N1CCC([NH+]2CCCC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000102488668 206343888 /nfs/dbraw/zinc/34/38/88/206343888.db2.gz MVSWXTCKAVRNNN-UHFFFAOYSA-N 1 0 335.408 1.613 20 5 EDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103150914 206398106 /nfs/dbraw/zinc/39/81/06/206398106.db2.gz BDWDQUUDWARESE-HNNXBMFYSA-N 1 0 346.431 1.896 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC[C@H]21 ZINC000247107863 139135999 /nfs/dbraw/zinc/13/59/99/139135999.db2.gz QJZGKCNJYSPJSR-GHMZBOCLSA-N 1 0 345.446 1.761 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000247881003 139155474 /nfs/dbraw/zinc/15/54/74/139155474.db2.gz BPXBKWHVXAKSHF-QGPMSJSTSA-N 1 0 349.431 1.751 20 5 EDBDRO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261595994 139209518 /nfs/dbraw/zinc/20/95/18/139209518.db2.gz JOPILSBAEFUGSF-NSHDSACASA-N 1 0 335.813 1.900 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000172207714 206799686 /nfs/dbraw/zinc/79/96/86/206799686.db2.gz VYLNLTBDYLLHDU-JTQLQIEISA-N 1 0 331.369 1.306 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000261706368 139219174 /nfs/dbraw/zinc/21/91/74/139219174.db2.gz KOCPWYHJNUEJHQ-UHFFFAOYSA-N 1 0 339.417 1.748 20 5 EDBDRO CCCN(c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000261713491 139219800 /nfs/dbraw/zinc/21/98/00/139219800.db2.gz LJNFLTLMNIQYDR-NSHDSACASA-N 1 0 342.421 1.081 20 5 EDBDRO CN(C)S(=O)(=O)c1ccc(NCC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000261720930 139220336 /nfs/dbraw/zinc/22/03/36/139220336.db2.gz LYDPBCQWLNMOFO-NSHDSACASA-N 1 0 342.421 1.257 20 5 EDBDRO O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000261779988 139225335 /nfs/dbraw/zinc/22/53/35/139225335.db2.gz KBKABXZYELMNHI-NSHDSACASA-N 1 0 346.309 1.894 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261808409 139227802 /nfs/dbraw/zinc/22/78/02/139227802.db2.gz GDXUFFQKMPETFB-FPMFFAJLSA-N 1 0 339.417 1.651 20 5 EDBDRO CN(CC(=O)N1CCC2(CC[NH2+]C2)CC1)c1ccccc1[N+](=O)[O-] ZINC000261847099 139231132 /nfs/dbraw/zinc/23/11/32/139231132.db2.gz QCWUWYPWZSSCJI-UHFFFAOYSA-N 1 0 332.404 1.633 20 5 EDBDRO COCC1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261926893 139237693 /nfs/dbraw/zinc/23/76/93/139237693.db2.gz SIPJBAWUMNKIJR-UHFFFAOYSA-N 1 0 325.340 1.480 20 5 EDBDRO C[C@@H](NC(=O)C1(n2cccn2)CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000261930880 139238089 /nfs/dbraw/zinc/23/80/89/139238089.db2.gz LQTDQSZCEUFCLN-CYBMUJFWSA-N 1 0 343.387 1.747 20 5 EDBDRO CC(C)(C)CC[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000187738138 272952432 /nfs/dbraw/zinc/95/24/32/272952432.db2.gz BEAKZIZUVIAHKX-UHFFFAOYSA-N 1 0 329.422 1.899 20 5 EDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262054883 139246955 /nfs/dbraw/zinc/24/69/55/139246955.db2.gz NBSVBMHVBNYHSH-INIZCTEOSA-N 1 0 332.404 1.034 20 5 EDBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H](O)Cn3cccn3)CC2)cc1 ZINC000174243459 207002547 /nfs/dbraw/zinc/00/25/47/207002547.db2.gz FEJCGTZQWUBKPG-HNNXBMFYSA-N 1 0 346.387 1.696 20 5 EDBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(OC)cc1 ZINC000174663941 207043402 /nfs/dbraw/zinc/04/34/02/207043402.db2.gz CXZJRFYEUPIIJW-ZBFHGGJFSA-N 1 0 334.376 1.902 20 5 EDBDRO CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000415543139 250998249 /nfs/dbraw/zinc/99/82/49/250998249.db2.gz WOOPERXHOQGOIN-ZDUSSCGKSA-N 1 0 348.403 1.684 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415856093 251034048 /nfs/dbraw/zinc/03/40/48/251034048.db2.gz ZIBPWBQOLDGIME-ZYHUDNBSSA-N 1 0 334.376 1.285 20 5 EDBDRO [NH3+]CC[C@@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000415994047 251044263 /nfs/dbraw/zinc/04/42/63/251044263.db2.gz KDIWIAYGEWHICG-LLVKDONJSA-N 1 0 349.313 1.586 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000262381039 139274889 /nfs/dbraw/zinc/27/48/89/139274889.db2.gz YSOIRZIACTVNGB-WPRPVWTQSA-N 1 0 347.824 1.914 20 5 EDBDRO CS(=O)(=O)c1ccc(N2CC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000262412768 139277370 /nfs/dbraw/zinc/27/73/70/139277370.db2.gz DGSFGZKCIHZHCB-AWEZNQCLSA-N 1 0 325.390 1.188 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000415578611 304230860 /nfs/dbraw/zinc/23/08/60/304230860.db2.gz PHYLCGRUFGLWKD-IUCAKERBSA-N 1 0 340.767 1.382 20 5 EDBDRO C[C@@H](NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[C@H](C)[NH3+] ZINC000418707469 251390524 /nfs/dbraw/zinc/39/05/24/251390524.db2.gz TXGFYXDXLVISMD-NWDGAFQWSA-N 1 0 336.392 1.883 20 5 EDBDRO COC(=O)[C@H](C)NC(=O)c1ccc(NCC[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000420154726 251620172 /nfs/dbraw/zinc/62/01/72/251620172.db2.gz JGZZZNZCLWXSHO-ZJUUUORDSA-N 1 0 338.364 1.035 20 5 EDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420304292 251669976 /nfs/dbraw/zinc/66/99/76/251669976.db2.gz DXYMRGUOJVLUDB-VHSXEESVSA-N 1 0 326.784 1.869 20 5 EDBDRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000420453363 251725309 /nfs/dbraw/zinc/72/53/09/251725309.db2.gz JZEQOPMWQJBPCF-AAEUAGOBSA-N 1 0 327.406 1.184 20 5 EDBDRO Cc1c(CC(=O)N2CCC(OCCC[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000422897747 252015795 /nfs/dbraw/zinc/01/57/95/252015795.db2.gz CNNHLTUYCJJVDP-UHFFFAOYSA-N 1 0 335.404 1.802 20 5 EDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424220457 252168093 /nfs/dbraw/zinc/16/80/93/252168093.db2.gz DWRUPMMEGPDUPW-UHFFFAOYSA-N 1 0 341.371 1.872 20 5 EDBDRO CCc1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000424230200 252173249 /nfs/dbraw/zinc/17/32/49/252173249.db2.gz ZKWIJAYPWATDLY-LSDHHAIUSA-N 1 0 343.387 1.458 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424237812 252174911 /nfs/dbraw/zinc/17/49/11/252174911.db2.gz MNHWMLPKEAHQNL-GFCCVEGCSA-N 1 0 335.408 1.480 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC(C)(C)O ZINC000177725968 207384899 /nfs/dbraw/zinc/38/48/99/207384899.db2.gz IEFGGXJOXIGSEV-UHFFFAOYSA-N 1 0 325.365 1.635 20 5 EDBDRO [NH3+]C[C@@H]1CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 ZINC000178538010 207498662 /nfs/dbraw/zinc/49/86/62/207498662.db2.gz ISROEHOTUYTGLJ-NSHDSACASA-N 1 0 348.359 1.090 20 5 EDBDRO CC(C)(C)[C@H](CCO)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000181482511 207941668 /nfs/dbraw/zinc/94/16/68/207941668.db2.gz YKLBMHYDRLFJNX-HIFRSBDPSA-N 1 0 326.393 1.721 20 5 EDBDRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000263233432 139330004 /nfs/dbraw/zinc/33/00/04/139330004.db2.gz NQLTZQVUEGQKDP-QEORTHHSSA-N 1 0 347.419 1.910 20 5 EDBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000112364075 220314720 /nfs/dbraw/zinc/31/47/20/220314720.db2.gz WDGARVUPMYLBLQ-UHFFFAOYSA-N 1 0 345.421 1.614 20 5 EDBDRO CC(C)(C)c1ccc(NC(=O)NCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415704553 304259882 /nfs/dbraw/zinc/25/98/82/304259882.db2.gz SENJAGNUONADPT-UHFFFAOYSA-N 1 0 349.435 1.919 20 5 EDBDRO O=C(NCCC[NH2+]C1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000442539184 254549684 /nfs/dbraw/zinc/54/96/84/254549684.db2.gz GQHBUMCAUORMAU-UHFFFAOYSA-N 1 0 348.403 1.962 20 5 EDBDRO CC[N@H+](CCNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000263756003 139358123 /nfs/dbraw/zinc/35/81/23/139358123.db2.gz QQDMINBPFFINAL-LBPRGKRZSA-N 1 0 348.403 1.314 20 5 EDBDRO C[N@H+](CCO)C1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000492287220 255167991 /nfs/dbraw/zinc/16/79/91/255167991.db2.gz KQJZGFSHUUSDSG-AATRIKPKSA-N 1 0 333.388 1.523 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000493350474 255206012 /nfs/dbraw/zinc/20/60/12/255206012.db2.gz JHLDYSGPYHNBGX-RGDDUWESSA-N 1 0 345.399 1.822 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000415845065 304280732 /nfs/dbraw/zinc/28/07/32/304280732.db2.gz RNLNOCWIQJKGAM-ZDUSSCGKSA-N 1 0 348.403 1.784 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266201153 139521072 /nfs/dbraw/zinc/52/10/72/139521072.db2.gz HOTGBSJBCGMYKR-HNNXBMFYSA-N 1 0 333.388 1.318 20 5 EDBDRO COc1ccc(CC[C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000571276896 306560538 /nfs/dbraw/zinc/56/05/38/306560538.db2.gz AWTSVSVJVPYYPX-CJNGLKHVSA-N 1 0 348.403 1.772 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)n1 ZINC000488763189 292017402 /nfs/dbraw/zinc/01/74/02/292017402.db2.gz QGIJDBYUJMLOLU-TYNCELHUSA-N 1 0 348.403 1.943 20 5 EDBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000416288975 304303391 /nfs/dbraw/zinc/30/33/91/304303391.db2.gz DXJUNPHHNUKMII-NWDGAFQWSA-N 1 0 346.387 1.603 20 5 EDBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000270781601 140167875 /nfs/dbraw/zinc/16/78/75/140167875.db2.gz UEEXYPYIWKZUOT-VXGBXAGGSA-N 1 0 337.424 1.815 20 5 EDBDRO C[N@H+](CCc1cnccn1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000271325880 140278882 /nfs/dbraw/zinc/27/88/82/140278882.db2.gz KVQMTDBGUZZGOE-OAHLLOKOSA-N 1 0 332.360 1.299 20 5 EDBDRO CCOC(=O)CN(C)C(=O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000271680295 140332801 /nfs/dbraw/zinc/33/28/01/140332801.db2.gz BLFDTIYHVPLLNY-AWEZNQCLSA-N 1 0 337.376 1.657 20 5 EDBDRO C[C@@H](NC(=O)NCC1(O)CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000271712596 140338169 /nfs/dbraw/zinc/33/81/69/140338169.db2.gz JTFWKIRLCNJBSS-GFCCVEGCSA-N 1 0 336.392 1.412 20 5 EDBDRO Cc1c(NC(=O)CC[N@H+]2C[C@H]3OCCN(C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000331884212 141093796 /nfs/dbraw/zinc/09/37/96/141093796.db2.gz FLTJVYGYTHVXID-HZPDHXFCSA-N 1 0 348.403 1.247 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000332152441 141131631 /nfs/dbraw/zinc/13/16/31/141131631.db2.gz VWPWFYDMSJGNON-AWEZNQCLSA-N 1 0 333.388 1.779 20 5 EDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000332453501 141184410 /nfs/dbraw/zinc/18/44/10/141184410.db2.gz NOQNGAVFVCYLJY-DIFFPNOSSA-N 1 0 346.387 1.966 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(Cc3ccc([N+](=O)[O-])c(OC)c3)[C@H]2C1 ZINC000339393275 142035634 /nfs/dbraw/zinc/03/56/34/142035634.db2.gz NUPKRKJLAAPFPS-HOTGVXAUSA-N 1 0 335.404 1.898 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000340997018 142538862 /nfs/dbraw/zinc/53/88/62/142538862.db2.gz UWLYASYIIWSLQW-CHWSQXEVSA-N 1 0 335.408 1.789 20 5 EDBDRO CO[C@H]1C[C@H](CN(C)CC(=O)Nc2ccccc2[N+](=O)[O-])[N@H+](C)C1 ZINC000345146108 143057303 /nfs/dbraw/zinc/05/73/03/143057303.db2.gz OGHYIOSTAXWRRI-OLZOCXBDSA-N 1 0 336.392 1.184 20 5 EDBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000346163035 143173898 /nfs/dbraw/zinc/17/38/98/143173898.db2.gz CTSXLCPGCUDCFO-YDHLFZDLSA-N 1 0 335.408 1.370 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)[C@@H](C(N)=O)C1 ZINC000346660571 143227922 /nfs/dbraw/zinc/22/79/22/143227922.db2.gz MJWVSZISWTXFPN-AAEUAGOBSA-N 1 0 334.376 1.285 20 5 EDBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)CO)ccc1Oc1ccc(F)cc1 ZINC000347501504 143329451 /nfs/dbraw/zinc/32/94/51/143329451.db2.gz HVAFYGNPRJJLIA-ZDUSSCGKSA-N 1 0 336.319 1.969 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000347785944 143362980 /nfs/dbraw/zinc/36/29/80/143362980.db2.gz GLESVKLGWIVOAF-ZFWWWQNUSA-N 1 0 335.360 1.149 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CC[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000416559830 304331376 /nfs/dbraw/zinc/33/13/76/304331376.db2.gz KLQJEMPUYGHJGK-NSHDSACASA-N 1 0 345.396 1.744 20 5 EDBDRO COC(=O)c1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cn1C ZINC000573045522 306609123 /nfs/dbraw/zinc/60/91/23/306609123.db2.gz SCCKQGKECBVNRD-UHFFFAOYSA-N 1 0 333.344 1.889 20 5 EDBDRO CO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C[NH3+])C1 ZINC000359251365 286055433 /nfs/dbraw/zinc/05/54/33/286055433.db2.gz XEZZQJLKZJQFRA-MNOVXSKESA-N 1 0 327.768 1.827 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355363083 150234967 /nfs/dbraw/zinc/23/49/67/150234967.db2.gz FATDBMYWGXAJFH-CVEARBPZSA-N 1 0 333.388 1.838 20 5 EDBDRO C[NH+](C)CCN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000356294621 150588100 /nfs/dbraw/zinc/58/81/00/150588100.db2.gz JQJUUKKGJYVWQI-UHFFFAOYSA-N 1 0 349.387 1.461 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000357382384 151013638 /nfs/dbraw/zinc/01/36/38/151013638.db2.gz CFLPTYLEMSRGKR-AAEUAGOBSA-N 1 0 344.375 1.388 20 5 EDBDRO C[C@H](O)C[N@H+](C)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000357633735 151093928 /nfs/dbraw/zinc/09/39/28/151093928.db2.gz FDAIXKPSISJCLD-AWEZNQCLSA-N 1 0 337.420 1.751 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000357704118 151120184 /nfs/dbraw/zinc/12/01/84/151120184.db2.gz UFDLPGAOKGSFRK-LLVKDONJSA-N 1 0 345.446 1.667 20 5 EDBDRO COc1cc(CN2CCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000358132475 151283084 /nfs/dbraw/zinc/28/30/84/151283084.db2.gz XJUUDXRKINUURB-JTQLQIEISA-N 1 0 347.318 1.364 20 5 EDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359420687 151711107 /nfs/dbraw/zinc/71/11/07/151711107.db2.gz UQOUBOUFBCCXNA-MXWKQRLJSA-N 1 0 339.779 1.693 20 5 EDBDRO CC[NH+](CC)C[C@H](C)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000360142450 151926010 /nfs/dbraw/zinc/92/60/10/151926010.db2.gz FBEQXUYGCAKGLP-JTQLQIEISA-N 1 0 330.410 1.384 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000360651730 152138462 /nfs/dbraw/zinc/13/84/62/152138462.db2.gz IQQIHIRWTFHABK-QWHCGFSZSA-N 1 0 341.433 1.973 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000360961792 152265357 /nfs/dbraw/zinc/26/53/57/152265357.db2.gz UPUPLFGTZXOZEA-GFCCVEGCSA-N 1 0 338.412 1.119 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000417191736 304382896 /nfs/dbraw/zinc/38/28/96/304382896.db2.gz ZXRCWSFOGCSGMX-UHFFFAOYSA-N 1 0 336.392 1.792 20 5 EDBDRO Nc1c(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)cc(F)cc1[N+](=O)[O-] ZINC000367365067 154089984 /nfs/dbraw/zinc/08/99/84/154089984.db2.gz KOGKVXZLBWZJHO-UHFFFAOYSA-N 1 0 331.307 1.609 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@H](c2n[nH]cc2C[NH+]2CCCC2)C1 ZINC000367841120 154294609 /nfs/dbraw/zinc/29/46/09/154294609.db2.gz JLWJPCUHUAEQGA-NWANDNLSSA-N 1 0 347.419 1.377 20 5 EDBDRO NS(=O)(=O)C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000372382489 156361914 /nfs/dbraw/zinc/36/19/14/156361914.db2.gz CFFXZYLMTQVQIH-UHFFFAOYSA-N 1 0 333.797 1.501 20 5 EDBDRO O=C(C[N@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000374067691 157129611 /nfs/dbraw/zinc/12/96/11/157129611.db2.gz HTYWMECKJXIJSJ-XNRPHZJLSA-N 1 0 349.387 1.395 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000374392263 157273355 /nfs/dbraw/zinc/27/33/55/157273355.db2.gz KMTOZZKZLKYAQW-IJEWVQPXSA-N 1 0 336.388 1.693 20 5 EDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCN(c2cccnn2)CC1 ZINC000374546000 157323947 /nfs/dbraw/zinc/32/39/47/157323947.db2.gz PJBLSCUWOVSQLR-UHFFFAOYSA-N 1 0 331.380 1.182 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C[C@H]21 ZINC000374589863 157337662 /nfs/dbraw/zinc/33/76/62/157337662.db2.gz AUMOUXZZWQGQDP-ZKYQVNSYSA-N 1 0 337.351 1.699 20 5 EDBDRO CN(CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000374625698 157349629 /nfs/dbraw/zinc/34/96/29/157349629.db2.gz CHMVNKHAXAXIDB-MELADBBJSA-N 1 0 332.404 1.617 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000377996497 158051480 /nfs/dbraw/zinc/05/14/80/158051480.db2.gz KHMKPQVTBRUTSA-STQMWFEESA-N 1 0 339.417 1.387 20 5 EDBDRO C[NH2+]C[C@H](C)CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417999249 304444239 /nfs/dbraw/zinc/44/42/39/304444239.db2.gz VXSWKIARGXKACL-JTQLQIEISA-N 1 0 328.800 1.945 20 5 EDBDRO CCCC[C@@H](C[NH3+])NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418086315 304456588 /nfs/dbraw/zinc/45/65/88/304456588.db2.gz YFKQPRPPNXDBPG-JTQLQIEISA-N 1 0 334.380 1.788 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC2CC2)CC1 ZINC000054644358 287226983 /nfs/dbraw/zinc/22/69/83/287226983.db2.gz QGPMSTRVHWPJFY-UHFFFAOYSA-N 1 0 332.404 1.875 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000067306130 287244669 /nfs/dbraw/zinc/24/46/69/287244669.db2.gz RQTVAXPXGWQHKA-LBPRGKRZSA-N 1 0 344.375 1.247 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C)CC2)cc1OC ZINC000078378275 287293141 /nfs/dbraw/zinc/29/31/41/287293141.db2.gz OHTASASDJCZTSV-UHFFFAOYSA-N 1 0 337.376 1.826 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)n1 ZINC000191816150 272981716 /nfs/dbraw/zinc/98/17/16/272981716.db2.gz KOHAGHRFCZUCLS-UHFFFAOYSA-N 1 0 349.366 1.942 20 5 EDBDRO CC1(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000193355109 272991474 /nfs/dbraw/zinc/99/14/74/272991474.db2.gz ALUAHUHZWYMORB-UHFFFAOYSA-N 1 0 329.360 1.652 20 5 EDBDRO C[C@H]1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000237651771 273011713 /nfs/dbraw/zinc/01/17/13/273011713.db2.gz FEUGOMDRYLKHHY-XHDPSFHLSA-N 1 0 344.375 1.375 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000266144186 273019511 /nfs/dbraw/zinc/01/95/11/273019511.db2.gz HSFTZYHDKQOYJQ-UHFFFAOYSA-N 1 0 325.365 1.058 20 5 EDBDRO C[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000274383946 268132091 /nfs/dbraw/zinc/13/20/91/268132091.db2.gz BNTIQRZDHKJEQD-ZCFIWIBFSA-N 1 0 349.128 1.276 20 5 EDBDRO COC(=O)c1cc(N2CC[NH+](C[C@@H](C)O)CC2)cc(C)c1[N+](=O)[O-] ZINC000275383892 268334422 /nfs/dbraw/zinc/33/44/22/268334422.db2.gz AACNYPZUAOWJTQ-GFCCVEGCSA-N 1 0 337.376 1.193 20 5 EDBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000276603226 268450115 /nfs/dbraw/zinc/45/01/15/268450115.db2.gz RJCFGWPQIQAVHZ-VXGBXAGGSA-N 1 0 349.387 1.661 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC000276885413 268493232 /nfs/dbraw/zinc/49/32/32/268493232.db2.gz SVVLCESTSJXPRX-CYBMUJFWSA-N 1 0 341.433 1.926 20 5 EDBDRO C[C@@H](CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)C[NH+]1CCCC1 ZINC000277189152 268526065 /nfs/dbraw/zinc/52/60/65/268526065.db2.gz WMTGMNLDIJNYGA-NSHDSACASA-N 1 0 342.421 1.386 20 5 EDBDRO C[C@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000280101946 268910120 /nfs/dbraw/zinc/91/01/20/268910120.db2.gz AIMQQOVAIMJPNW-RYUDHWBXSA-N 1 0 343.387 1.803 20 5 EDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000276059910 273145234 /nfs/dbraw/zinc/14/52/34/273145234.db2.gz KOQSNVCCEJOIGV-ZDUSSCGKSA-N 1 0 334.376 1.462 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NCC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000276902612 273168508 /nfs/dbraw/zinc/16/85/08/273168508.db2.gz VXDVIUVZTOUHOH-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000277003655 273175813 /nfs/dbraw/zinc/17/58/13/273175813.db2.gz KFKZEGHZXRLQJY-GFCCVEGCSA-N 1 0 327.406 1.700 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000277129272 273181988 /nfs/dbraw/zinc/18/19/88/273181988.db2.gz GINQCWRHSPHGLK-AWEZNQCLSA-N 1 0 348.403 1.267 20 5 EDBDRO C[C@H]1C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])s2)CCCO1 ZINC000277520851 273203988 /nfs/dbraw/zinc/20/39/88/273203988.db2.gz LAHQZIDBDOJYJX-NSHDSACASA-N 1 0 327.406 1.887 20 5 EDBDRO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H](O)COc1ccccc1 ZINC000277681215 273216086 /nfs/dbraw/zinc/21/60/86/273216086.db2.gz BBFUBXVAJYYCOO-HNNXBMFYSA-N 1 0 348.403 1.942 20 5 EDBDRO COc1ccc(C[NH2+]CC2(S(C)(=O)=O)CCC2)cc1[N+](=O)[O-] ZINC000279839129 273332418 /nfs/dbraw/zinc/33/24/18/273332418.db2.gz QWJKFHSQUUYDOA-UHFFFAOYSA-N 1 0 328.390 1.660 20 5 EDBDRO CC[C@H](O)C[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347406195 273754780 /nfs/dbraw/zinc/75/47/80/273754780.db2.gz BDLBDWYAFQIDOD-LBPRGKRZSA-N 1 0 331.376 1.431 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccccc1 ZINC000194625330 273814604 /nfs/dbraw/zinc/81/46/04/273814604.db2.gz AYDXTQIDMKGNNY-CQSZACIVSA-N 1 0 330.344 1.728 20 5 EDBDRO COc1ccc(C[N@@H+]2CCC[C@](O)(Cn3ccnn3)C2)cc1[N+](=O)[O-] ZINC000284433983 274200760 /nfs/dbraw/zinc/20/07/60/274200760.db2.gz AYYOMYYXIDQSDY-MRXNPFEDSA-N 1 0 347.375 1.222 20 5 EDBDRO COC[C@@H]1C[C@H](OC)C[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000284689273 274295500 /nfs/dbraw/zinc/29/55/00/274295500.db2.gz PUEBMLTZCNHATL-LZWOXQAQSA-N 1 0 340.376 1.070 20 5 EDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000419007112 274371620 /nfs/dbraw/zinc/37/16/20/274371620.db2.gz TUSTXYBXTCVVKC-NXEZZACHSA-N 1 0 337.405 1.491 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000374086089 274685534 /nfs/dbraw/zinc/68/55/34/274685534.db2.gz YGCINBNWVQXTGC-QWHCGFSZSA-N 1 0 339.417 1.584 20 5 EDBDRO O=C1[C@H](N2CC[N@@H+]3CCCC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000177760088 275029598 /nfs/dbraw/zinc/02/95/98/275029598.db2.gz WGTRCVXMDYQEJQ-IAGOWNOFSA-N 1 0 344.415 1.870 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000269373845 275033577 /nfs/dbraw/zinc/03/35/77/275033577.db2.gz NDRPPWBYOUVOCL-LLVKDONJSA-N 1 0 326.784 1.802 20 5 EDBDRO CCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000352512060 276008747 /nfs/dbraw/zinc/00/87/47/276008747.db2.gz NFKSRQGRZMDGNR-GFCCVEGCSA-N 1 0 327.406 1.748 20 5 EDBDRO CO[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H](C[NH3+])C1 ZINC000359219905 277741875 /nfs/dbraw/zinc/74/18/75/277741875.db2.gz HVBINODDXFZKQP-OLZOCXBDSA-N 1 0 333.344 1.919 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C(=O)N1CCCC1 ZINC000343499145 278222076 /nfs/dbraw/zinc/22/20/76/278222076.db2.gz HKJVBJGMJGCFHX-STQMWFEESA-N 1 0 348.403 1.912 20 5 EDBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000171505037 278800237 /nfs/dbraw/zinc/80/02/37/278800237.db2.gz AJJXGKMGXOMQRC-CQSZACIVSA-N 1 0 327.406 1.499 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000286825068 288097372 /nfs/dbraw/zinc/09/73/72/288097372.db2.gz VOEKVSWUBYKTPD-QMMMGPOBSA-N 1 0 335.813 1.785 20 5 EDBDRO CC[NH2+]CC1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000420207544 279498359 /nfs/dbraw/zinc/49/83/59/279498359.db2.gz LFXCOIZSNSXLQN-UHFFFAOYSA-N 1 0 336.392 1.911 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CC[NH2+]C1 ZINC000342710243 279588910 /nfs/dbraw/zinc/58/89/10/279588910.db2.gz KYEDNZSKAGBJBZ-UWVGGRQHSA-N 1 0 327.768 1.741 20 5 EDBDRO O=C(CCN1CCC[C@@](F)(CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000287145627 288166045 /nfs/dbraw/zinc/16/60/45/288166045.db2.gz YIVOUZJCUIDIDN-HNNXBMFYSA-N 1 0 343.330 1.859 20 5 EDBDRO C[C@H]1[C@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CCC[N@@H+]1C ZINC000353281805 280119588 /nfs/dbraw/zinc/11/95/88/280119588.db2.gz LIBVXZHTHSIWIG-VHSXEESVSA-N 1 0 328.394 1.137 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000261976899 281262129 /nfs/dbraw/zinc/26/21/29/281262129.db2.gz ZSMMOOXVSBHUEV-CYBMUJFWSA-N 1 0 341.433 1.960 20 5 EDBDRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000288244749 288440994 /nfs/dbraw/zinc/44/09/94/288440994.db2.gz SKDUOUMBSTZKQM-QMMMGPOBSA-N 1 0 328.756 1.253 20 5 EDBDRO CO[C@H]1COC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000289450416 288703346 /nfs/dbraw/zinc/70/33/46/288703346.db2.gz AJMDDDQTXYOELQ-STQMWFEESA-N 1 0 327.312 1.066 20 5 EDBDRO CN(C)C(=O)c1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])[nH]1 ZINC000289777743 288777246 /nfs/dbraw/zinc/77/72/46/288777246.db2.gz KZJBWCARJHGMNG-UHFFFAOYSA-N 1 0 331.376 1.590 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000291741786 289166904 /nfs/dbraw/zinc/16/69/04/289166904.db2.gz JZILOSXPKGRIDZ-HUUCEWRRSA-N 1 0 332.360 1.478 20 5 EDBDRO C[C@H](CCCC[NH3+])NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000291992111 289233970 /nfs/dbraw/zinc/23/39/70/289233970.db2.gz BIFDGRWREKTQPT-NEPJUHHUSA-N 1 0 336.392 1.347 20 5 EDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292103590 289261962 /nfs/dbraw/zinc/26/19/62/289261962.db2.gz IGZQHYSYKONYIW-SUMWQHHRSA-N 1 0 332.404 1.949 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC000292329541 289317680 /nfs/dbraw/zinc/31/76/80/289317680.db2.gz FZJAKZRJOCMXBV-AAEUAGOBSA-N 1 0 337.376 1.777 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NC[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000292648435 289403229 /nfs/dbraw/zinc/40/32/29/289403229.db2.gz NQQHNXWICYUQJJ-JTQLQIEISA-N 1 0 329.422 1.688 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000250042546 293395563 /nfs/dbraw/zinc/39/55/63/293395563.db2.gz GDHWVHXXQXOYMJ-OLZOCXBDSA-N 1 0 337.424 1.726 20 5 EDBDRO Cn1cc([C@@H]2[C@H](CNc3ccc([N+](=O)[O-])cn3)CCC[N@@H+]2C)cn1 ZINC000377707531 447306265 /nfs/dbraw/zinc/30/62/65/447306265.db2.gz RBDAOLFCVXDXDX-LRDDRELGSA-N 1 0 330.392 2.218 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]12 ZINC000248577505 295323703 /nfs/dbraw/zinc/32/37/03/295323703.db2.gz DVGLJNQBHDDZAE-JMJZKYOTSA-N 1 0 345.808 1.606 20 5 EDBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488732874 297306126 /nfs/dbraw/zinc/30/61/26/297306126.db2.gz KTNFQLRHIQNQPD-JMSVASOKSA-N 1 0 332.404 1.860 20 5 EDBDRO C[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000419270957 304584848 /nfs/dbraw/zinc/58/48/48/304584848.db2.gz OAMHXZFJGYXHMG-GFCCVEGCSA-N 1 0 348.403 1.291 20 5 EDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000186974112 300241712 /nfs/dbraw/zinc/24/17/12/300241712.db2.gz PBKDAOJFZRKQLK-VFNNOXKTSA-N 1 0 347.415 1.912 20 5 EDBDRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000419836618 304693754 /nfs/dbraw/zinc/69/37/54/304693754.db2.gz ZLLHTEKXXGTPKR-NWDGAFQWSA-N 1 0 334.319 1.808 20 5 EDBDRO CN(CC(=O)N1CCCC[C@H]1C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000173061329 302950130 /nfs/dbraw/zinc/95/01/30/302950130.db2.gz FGTRMXUYAIMWEG-AWEZNQCLSA-N 1 0 334.420 1.974 20 5 EDBDRO CC[C@H](CNS(C)(=O)=O)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000295104832 303173921 /nfs/dbraw/zinc/17/39/21/303173921.db2.gz UDCQAUYOCCIKCG-STMXVASLSA-N 1 0 327.406 1.525 20 5 EDBDRO C[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295531204 303230780 /nfs/dbraw/zinc/23/07/80/303230780.db2.gz JOJIGPALHXZUPG-CYBMUJFWSA-N 1 0 332.404 1.949 20 5 EDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@@H+](C2CC2)C1 ZINC000295791536 303267561 /nfs/dbraw/zinc/26/75/61/303267561.db2.gz YZPFKNUSIFZPJO-SNVBAGLBSA-N 1 0 336.367 1.872 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CCC[C@H](O)[C@H]2C)c([N+](=O)[O-])c1 ZINC000296141933 303298482 /nfs/dbraw/zinc/29/84/82/303298482.db2.gz JRQGVJWLJVIDCS-ABAIWWIYSA-N 1 0 337.376 1.777 20 5 EDBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000296526821 303322034 /nfs/dbraw/zinc/32/20/34/303322034.db2.gz CRECPAJKVIHBSQ-SGMGOOAPSA-N 1 0 348.403 1.358 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C[C@H]21 ZINC000261876774 303468352 /nfs/dbraw/zinc/46/83/52/303468352.db2.gz MAJKUNNXCSWNSE-HOSYDEDBSA-N 1 0 343.380 1.482 20 5 EDBDRO Cc1nn(C)c(N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)c1[N+](=O)[O-] ZINC000377736781 447329662 /nfs/dbraw/zinc/32/96/62/447329662.db2.gz CKGUMMLQKKYDEJ-KWCYVHTRSA-N 1 0 337.424 1.938 20 5 EDBDRO C[NH+](C)CCNC(=O)C1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000302008465 303707166 /nfs/dbraw/zinc/70/71/66/303707166.db2.gz XDGBTABDRSRQSX-UHFFFAOYSA-N 1 0 326.422 1.551 20 5 EDBDRO CCOCc1ccccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000391934214 303851451 /nfs/dbraw/zinc/85/14/51/303851451.db2.gz OADHQBXPORXHKU-INIZCTEOSA-N 1 0 334.376 1.479 20 5 EDBDRO COc1cc(C[NH2+]C(C)(C)CN2CCOCC2)c([N+](=O)[O-])cc1F ZINC000411998902 303948169 /nfs/dbraw/zinc/94/81/69/303948169.db2.gz PDADILPWQWAODG-UHFFFAOYSA-N 1 0 341.383 1.943 20 5 EDBDRO [NH3+]C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCC1 ZINC000423936346 304919678 /nfs/dbraw/zinc/91/96/78/304919678.db2.gz CTKZMDMGZDABAT-LBPRGKRZSA-N 1 0 335.360 1.613 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430943953 305069840 /nfs/dbraw/zinc/06/98/40/305069840.db2.gz REAVRCHAFIIRSG-MDZLAQPJSA-N 1 0 336.392 1.600 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430961356 305071028 /nfs/dbraw/zinc/07/10/28/305071028.db2.gz NRMLUSZWXIKJQB-GMXVVIOVSA-N 1 0 336.392 1.600 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430961358 305071083 /nfs/dbraw/zinc/07/10/83/305071083.db2.gz NRMLUSZWXIKJQB-MDZLAQPJSA-N 1 0 336.392 1.600 20 5 EDBDRO C[C@@H](NC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)c1cccc([N+](=O)[O-])c1 ZINC000433385212 305107240 /nfs/dbraw/zinc/10/72/40/305107240.db2.gz BBVMKBJIVOHSTH-BXUZGUMPSA-N 1 0 344.375 1.602 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435234700 305137556 /nfs/dbraw/zinc/13/75/56/305137556.db2.gz JJPVOQXJGWQPDH-NHYWBVRUSA-N 1 0 346.387 1.066 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441275959 305220124 /nfs/dbraw/zinc/22/01/24/305220124.db2.gz IWDSOBLJHRAXKH-ZFWWWQNUSA-N 1 0 333.388 1.942 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([N@@H+](C)C[C@@H](C)O)CC2)c1 ZINC000444350941 305246548 /nfs/dbraw/zinc/24/65/48/305246548.db2.gz IZGWKPCXFSGCIY-CYBMUJFWSA-N 1 0 335.404 1.820 20 5 EDBDRO CSC[C@H](CCO)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447539713 305281686 /nfs/dbraw/zinc/28/16/86/305281686.db2.gz AYVUFTOOHIWBBQ-AVGNSLFASA-N 1 0 328.438 1.979 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000448917611 305304200 /nfs/dbraw/zinc/30/42/00/305304200.db2.gz LAUJFLHXNYLENX-CQSZACIVSA-N 1 0 343.387 1.995 20 5 EDBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1ccc([N+](=O)[O-])cc1Cl ZINC000452348108 305391015 /nfs/dbraw/zinc/39/10/15/305391015.db2.gz KNKUPUYPLQLZDD-GFCCVEGCSA-N 1 0 341.795 1.825 20 5 EDBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000452354333 305392089 /nfs/dbraw/zinc/39/20/89/305392089.db2.gz VQRZFHXUSRZZTF-ZDUSSCGKSA-N 1 0 346.387 1.653 20 5 EDBDRO C[C@@H]1CC[C@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000519758131 305774537 /nfs/dbraw/zinc/77/45/37/305774537.db2.gz FDBMWPUCSQPAOL-DGCLKSJQSA-N 1 0 328.390 1.526 20 5 EDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000535728262 306015340 /nfs/dbraw/zinc/01/53/40/306015340.db2.gz VRWKHEPIRMNQKG-CYBMUJFWSA-N 1 0 343.387 1.852 20 5 EDBDRO Cc1sc(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000552028320 306174015 /nfs/dbraw/zinc/17/40/15/306174015.db2.gz VMAPEKXHAUKQGD-CQSZACIVSA-N 1 0 325.390 1.151 20 5 EDBDRO CN1CCNC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414976132 447382194 /nfs/dbraw/zinc/38/21/94/447382194.db2.gz NNLIXPCNRQTBSX-USXIJHARSA-N 1 0 332.448 1.799 20 5 EDBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000449706829 447387391 /nfs/dbraw/zinc/38/73/91/447387391.db2.gz OPZQAPRFVNCXBH-AWEZNQCLSA-N 1 0 348.403 1.303 20 5 EDBDRO COC[C@]1(CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000493808631 447399144 /nfs/dbraw/zinc/39/91/44/447399144.db2.gz ZYAODBVLAYYKHB-DQOPKJQZSA-N 1 0 337.351 1.632 20 5 EDBDRO COc1cc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000057712521 441129759 /nfs/dbraw/zinc/12/97/59/441129759.db2.gz RNUYGFGRCQJHQJ-SNVBAGLBSA-N 1 0 337.376 1.825 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058263213 441166630 /nfs/dbraw/zinc/16/66/30/441166630.db2.gz QSNULLIWXXGFQK-UHFFFAOYSA-N 1 0 335.408 1.658 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CC[NH+](C)C)cc1OC ZINC000080394456 441166907 /nfs/dbraw/zinc/16/69/07/441166907.db2.gz OBVKTSZBJCNKGO-UHFFFAOYSA-N 1 0 325.365 1.636 20 5 EDBDRO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)C[NH+]1CCN(C)CC1 ZINC000047270908 441171675 /nfs/dbraw/zinc/17/16/75/441171675.db2.gz DHLGZDLITRZEAD-ZDUSSCGKSA-N 1 0 335.408 1.600 20 5 EDBDRO CNC(=O)[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000081553713 441287971 /nfs/dbraw/zinc/28/79/71/441287971.db2.gz WZMIOUMDOMMANH-PWSUYJOCSA-N 1 0 336.392 1.544 20 5 EDBDRO CC(=O)NC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000050993395 441394994 /nfs/dbraw/zinc/39/49/94/441394994.db2.gz ABNBZIGUYHQQBN-UHFFFAOYSA-N 1 0 348.403 1.832 20 5 EDBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000108334160 441445386 /nfs/dbraw/zinc/44/53/86/441445386.db2.gz BKUOMTNSTJNGEE-CYBMUJFWSA-N 1 0 343.387 1.852 20 5 EDBDRO CC[NH+]1CCC(N(C(=O)Cn2cc([N+](=O)[O-])nc2C)C2CC2)CC1 ZINC000065744354 441481369 /nfs/dbraw/zinc/48/13/69/441481369.db2.gz QEPFIXUSFPMUIA-UHFFFAOYSA-N 1 0 335.408 1.575 20 5 EDBDRO Cc1cccc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000114141882 441636947 /nfs/dbraw/zinc/63/69/47/441636947.db2.gz CFHHFLYOBYQOKO-UHFFFAOYSA-N 1 0 348.447 1.907 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000114148452 441637896 /nfs/dbraw/zinc/63/78/96/441637896.db2.gz PZHWGYRFRVVGMX-NSHDSACASA-N 1 0 335.360 1.405 20 5 EDBDRO C[NH+](C)C(C)(C)CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000056129428 441691201 /nfs/dbraw/zinc/69/12/01/441691201.db2.gz JDCNOQZOKHFODM-UHFFFAOYSA-N 1 0 331.376 1.851 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000068177191 441745660 /nfs/dbraw/zinc/74/56/60/441745660.db2.gz HNXPSFDWKYVPCD-NSHDSACASA-N 1 0 337.405 1.580 20 5 EDBDRO O=C(NCCCN1CC[NH2+]CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000158756466 441761039 /nfs/dbraw/zinc/76/10/39/441761039.db2.gz IUEDPAPYXBWCTB-UHFFFAOYSA-N 1 0 326.784 1.273 20 5 EDBDRO O=Cc1ccc(OCC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000068302653 441770495 /nfs/dbraw/zinc/77/04/95/441770495.db2.gz DUIVKFQQASZFNX-ZDUSSCGKSA-N 1 0 347.371 1.387 20 5 EDBDRO C[NH+]1CCC(CCNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000068326082 441774403 /nfs/dbraw/zinc/77/44/03/441774403.db2.gz DYYPNUAXTMLORF-UHFFFAOYSA-N 1 0 349.387 1.634 20 5 EDBDRO C[C@@H](CCNC(=O)Cn1cc([N+](=O)[O-])cn1)[N@H+](C)Cc1ccccc1 ZINC000173589966 441800689 /nfs/dbraw/zinc/80/06/89/441800689.db2.gz ZRSYKVKCXWCOFX-AWEZNQCLSA-N 1 0 345.403 1.818 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000173626141 441807113 /nfs/dbraw/zinc/80/71/13/441807113.db2.gz BTVRCJADGSEJKH-CQSZACIVSA-N 1 0 347.415 1.849 20 5 EDBDRO CC(C)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[NH+]1CCN(C)CC1 ZINC000173707166 441826751 /nfs/dbraw/zinc/82/67/51/441826751.db2.gz XXXBNFFVTBTGFG-QGZVFWFLSA-N 1 0 348.447 1.526 20 5 EDBDRO Cc1c(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000122049395 441831091 /nfs/dbraw/zinc/83/10/91/441831091.db2.gz SBARSPYFFGDZLG-CYBMUJFWSA-N 1 0 334.420 1.517 20 5 EDBDRO CCC1(CC)[C@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1OC ZINC000140647215 441841565 /nfs/dbraw/zinc/84/15/65/441841565.db2.gz YUTLEQNQQDEYKU-ZNMIVQPWSA-N 1 0 340.424 1.678 20 5 EDBDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000159946022 441849634 /nfs/dbraw/zinc/84/96/34/441849634.db2.gz PLJKZJFBFWWXAK-NSHDSACASA-N 1 0 333.797 1.606 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000122456431 441851634 /nfs/dbraw/zinc/85/16/34/441851634.db2.gz RVDHGVRFGAHMAT-OLZOCXBDSA-N 1 0 339.417 1.700 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174203878 441901737 /nfs/dbraw/zinc/90/17/37/441901737.db2.gz JBSFDYQDRGBHHU-AWEZNQCLSA-N 1 0 349.387 1.154 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000117923520 441881942 /nfs/dbraw/zinc/88/19/42/441881942.db2.gz JUMIISPIAKKTMI-JTQLQIEISA-N 1 0 331.369 1.306 20 5 EDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000160947772 441939591 /nfs/dbraw/zinc/93/95/91/441939591.db2.gz JYURGCRYVDPIAQ-STQMWFEESA-N 1 0 329.360 1.780 20 5 EDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000078562517 441944429 /nfs/dbraw/zinc/94/44/29/441944429.db2.gz YKHSARCKDDYNCC-LBPRGKRZSA-N 1 0 345.403 1.999 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000119849623 441964093 /nfs/dbraw/zinc/96/40/93/441964093.db2.gz PIJCEABCCCGGDY-DOMZBBRYSA-N 1 0 348.403 1.722 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000161281670 441980973 /nfs/dbraw/zinc/98/09/73/441980973.db2.gz UQAGDTUEQHQVLS-AWEZNQCLSA-N 1 0 329.360 1.605 20 5 EDBDRO NC(=O)c1ccc(CN2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000125283160 442004375 /nfs/dbraw/zinc/00/43/75/442004375.db2.gz NVTYYAZOGABGHI-UHFFFAOYSA-N 1 0 341.371 1.411 20 5 EDBDRO C[NH+]1CCC(CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000120214555 442030589 /nfs/dbraw/zinc/03/05/89/442030589.db2.gz BISAQWHFACQBGA-UHFFFAOYSA-N 1 0 331.376 1.933 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000151597633 442090389 /nfs/dbraw/zinc/09/03/89/442090389.db2.gz VUNLNMHCPNMRFB-NSHDSACASA-N 1 0 345.446 1.763 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151619313 442093330 /nfs/dbraw/zinc/09/33/30/442093330.db2.gz OPAHSLIUCHAZKY-CYBMUJFWSA-N 1 0 339.417 1.701 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000175822588 442129816 /nfs/dbraw/zinc/12/98/16/442129816.db2.gz AGFWPLZCDSVAPU-CYBMUJFWSA-N 1 0 341.433 1.974 20 5 EDBDRO CC(C)(C)[NH2+]CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000162917290 442130718 /nfs/dbraw/zinc/13/07/18/442130718.db2.gz LYNLVBFROUMKQI-UHFFFAOYSA-N 1 0 331.376 1.898 20 5 EDBDRO C[C@@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000079914569 442096785 /nfs/dbraw/zinc/09/67/85/442096785.db2.gz VWJLMNSSRHRHDO-LLVKDONJSA-N 1 0 342.421 1.386 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CC[NH+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000128035167 442241170 /nfs/dbraw/zinc/24/11/70/442241170.db2.gz STKHFFBOBJIVRQ-UHFFFAOYSA-N 1 0 349.435 1.975 20 5 EDBDRO CC1CC[NH+](C2CCC(NC(=O)Cn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000128915424 442294974 /nfs/dbraw/zinc/29/49/74/442294974.db2.gz PZYVFXUAWIARQQ-UHFFFAOYSA-N 1 0 349.435 1.951 20 5 EDBDRO O=C(C[C@@H]1CC[NH2+]C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000129759934 442331191 /nfs/dbraw/zinc/33/11/91/442331191.db2.gz MIQVHLNKWYWPBU-ZDUSSCGKSA-N 1 0 333.388 1.964 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000171718259 442373466 /nfs/dbraw/zinc/37/34/66/442373466.db2.gz VBYLKJGMNVDULB-ZIAGYGMSSA-N 1 0 349.435 1.591 20 5 EDBDRO C[C@@H](NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000171718256 442373969 /nfs/dbraw/zinc/37/39/69/442373969.db2.gz VBYLKJGMNVDULB-UONOGXRCSA-N 1 0 349.435 1.591 20 5 EDBDRO C[C@](C[NH3+])(NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CC1 ZINC000154806998 442357819 /nfs/dbraw/zinc/35/78/19/442357819.db2.gz XRCPGEVGVFOIMA-OAHLLOKOSA-N 1 0 330.348 1.033 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178099738 442408107 /nfs/dbraw/zinc/40/81/07/442408107.db2.gz BUEIBQQCWGUQFG-OAHLLOKOSA-N 1 0 333.388 1.318 20 5 EDBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000179716245 442492726 /nfs/dbraw/zinc/49/27/26/442492726.db2.gz PGDZRISVWZZDIO-LBPRGKRZSA-N 1 0 331.376 1.579 20 5 EDBDRO CCOC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])cc2)CC[NH+](C)CC1 ZINC000134323890 442469953 /nfs/dbraw/zinc/46/99/53/442469953.db2.gz PGIMRJMEBUJARN-UHFFFAOYSA-N 1 0 335.360 1.352 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@H]1CCOC1 ZINC000178783291 442485248 /nfs/dbraw/zinc/48/52/48/442485248.db2.gz MONRGALXOMNISR-GFCCVEGCSA-N 1 0 337.376 1.900 20 5 EDBDRO O=C(NCC[NH+]1CCCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000136019295 442646539 /nfs/dbraw/zinc/64/65/39/442646539.db2.gz HPXVSYAGVDUMTJ-UHFFFAOYSA-N 1 0 343.387 1.996 20 5 EDBDRO CCC[C@@H](C)C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000181042669 442677402 /nfs/dbraw/zinc/67/74/02/442677402.db2.gz LQMLGHBHLJSKEP-GFCCVEGCSA-N 1 0 329.422 1.899 20 5 EDBDRO C[N@H+](CCCn1ccnc1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000181087715 442679571 /nfs/dbraw/zinc/67/95/71/442679571.db2.gz RCGJGSWQRXOMIN-UHFFFAOYSA-N 1 0 343.387 1.703 20 5 EDBDRO CC(C)(C)[C@@H](CCO)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000181482490 442699750 /nfs/dbraw/zinc/69/97/50/442699750.db2.gz YKLBMHYDRLFJNX-UKRRQHHQSA-N 1 0 326.393 1.721 20 5 EDBDRO C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000193038956 442707667 /nfs/dbraw/zinc/70/76/67/442707667.db2.gz WESYZHHFFPZJCL-DOMZBBRYSA-N 1 0 341.433 1.922 20 5 EDBDRO CC(C)COC[C@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000192989357 442703334 /nfs/dbraw/zinc/70/33/34/442703334.db2.gz JXFABSUWPLTFBF-QGZVFWFLSA-N 1 0 337.420 1.750 20 5 EDBDRO C[NH2+]CC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000193268334 442727882 /nfs/dbraw/zinc/72/78/82/442727882.db2.gz YOAGHWGXZKEACT-UHFFFAOYSA-N 1 0 341.433 1.832 20 5 EDBDRO COc1cc(S(=O)(=O)NCC2(C)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000193375476 442736860 /nfs/dbraw/zinc/73/68/60/442736860.db2.gz UBIORIQOAUFRSA-UHFFFAOYSA-N 1 0 343.405 1.271 20 5 EDBDRO CC(C)[NH2+]C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182151060 442740080 /nfs/dbraw/zinc/74/00/80/442740080.db2.gz RNRMCQNRMASPHC-OAHLLOKOSA-N 1 0 337.420 1.797 20 5 EDBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000246285026 442770285 /nfs/dbraw/zinc/77/02/85/442770285.db2.gz CPWAMNMZFCGVQO-LSDHHAIUSA-N 1 0 349.435 1.904 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000194046287 442836885 /nfs/dbraw/zinc/83/68/85/442836885.db2.gz FDKLXELVBNTWDK-AWEZNQCLSA-N 1 0 348.403 1.234 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000249548006 442984972 /nfs/dbraw/zinc/98/49/72/442984972.db2.gz KLQRQGYGDRJMCM-QMTHXVAHSA-N 1 0 341.433 1.960 20 5 EDBDRO CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000266131423 443028785 /nfs/dbraw/zinc/02/87/85/443028785.db2.gz MQJYOGBVNRWBDQ-OAHLLOKOSA-N 1 0 348.403 1.267 20 5 EDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000190086833 443055026 /nfs/dbraw/zinc/05/50/26/443055026.db2.gz UAICYEODGAYCOD-LLVKDONJSA-N 1 0 336.392 1.094 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000268790609 443109025 /nfs/dbraw/zinc/10/90/25/443109025.db2.gz MQRYMJNNJRIRJX-GFCCVEGCSA-N 1 0 327.406 1.618 20 5 EDBDRO O=C(CC[N@@H+]1CCO[C@@]2(CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000185148615 443147549 /nfs/dbraw/zinc/14/75/49/443147549.db2.gz IMTOFEHXZNLMSJ-INIZCTEOSA-N 1 0 335.360 1.415 20 5 EDBDRO C[C@H]1CN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000261820306 443170978 /nfs/dbraw/zinc/17/09/78/443170978.db2.gz WODUMPHWYCYRLS-CMPLNLGQSA-N 1 0 342.421 1.019 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c1C ZINC000262353635 443191876 /nfs/dbraw/zinc/19/18/76/443191876.db2.gz VOOJFADRBDYPQP-ZYHUDNBSSA-N 1 0 327.406 1.569 20 5 EDBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000238148459 443195037 /nfs/dbraw/zinc/19/50/37/443195037.db2.gz YMPPFECWNFVESP-ZDUSSCGKSA-N 1 0 343.387 1.900 20 5 EDBDRO CN(C)C(=O)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000185169818 443153125 /nfs/dbraw/zinc/15/31/25/443153125.db2.gz FLEBYKJJNIGHMK-UHFFFAOYSA-N 1 0 326.328 1.083 20 5 EDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000266519078 443154211 /nfs/dbraw/zinc/15/42/11/443154211.db2.gz IBDVSMZCMMSIQU-RYUDHWBXSA-N 1 0 342.421 1.161 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000269207284 443233347 /nfs/dbraw/zinc/23/33/47/443233347.db2.gz MPNLHFCNYNRLLU-LBPRGKRZSA-N 1 0 327.768 1.585 20 5 EDBDRO [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000382516190 319123834 /nfs/dbraw/zinc/12/38/34/319123834.db2.gz RJTDVSHAJDCEBJ-DTWKUNHWSA-N 1 0 333.797 1.654 20 5 EDBDRO CC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000411899245 319211523 /nfs/dbraw/zinc/21/15/23/319211523.db2.gz BHFDMABTKQIBPP-VIFPVBQESA-N 1 0 340.767 1.397 20 5 EDBDRO CC[N@@H+]1CC[C@@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000413856055 319294192 /nfs/dbraw/zinc/29/41/92/319294192.db2.gz KHBZERVCAYZXPD-GFCCVEGCSA-N 1 0 336.396 1.232 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000191285951 443271763 /nfs/dbraw/zinc/27/17/63/443271763.db2.gz VNLBOASXCCQVGO-UHFFFAOYSA-N 1 0 339.392 1.562 20 5 EDBDRO COC(=O)C[C@@H]1CSCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000266904369 443286607 /nfs/dbraw/zinc/28/66/07/443286607.db2.gz HIXCWGLBZGPGIE-CYBMUJFWSA-N 1 0 340.401 1.954 20 5 EDBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000186038565 443301887 /nfs/dbraw/zinc/30/18/87/443301887.db2.gz WNERUPMBJGFNSL-ZDUSSCGKSA-N 1 0 335.408 1.742 20 5 EDBDRO CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]2Cn2ccnc2)c1[N+](=O)[O-] ZINC000269479830 443319383 /nfs/dbraw/zinc/31/93/83/443319383.db2.gz KBKWHOJKANUANM-LLVKDONJSA-N 1 0 332.364 1.943 20 5 EDBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000282391673 443325398 /nfs/dbraw/zinc/32/53/98/443325398.db2.gz OZTTVVJVJDAZTN-PRHODGIISA-N 1 0 342.193 1.972 20 5 EDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418669596 319509370 /nfs/dbraw/zinc/50/93/70/319509370.db2.gz JYBMQKDRJKHPKN-OJLVUWQFSA-N 1 0 330.388 1.702 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000267233206 443388131 /nfs/dbraw/zinc/38/81/31/443388131.db2.gz WTUXPCRMXFRVAZ-ZDUSSCGKSA-N 1 0 341.433 1.784 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000419276130 319580650 /nfs/dbraw/zinc/58/06/50/319580650.db2.gz STICVYRVNVNLEW-MBNYWOFBSA-N 1 0 348.403 1.195 20 5 EDBDRO CCC(CC)(CCO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000282511541 443361428 /nfs/dbraw/zinc/36/14/28/443361428.db2.gz SBISVSUJWIMXGD-UHFFFAOYSA-N 1 0 344.433 1.899 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)c2nonc21 ZINC000267397478 443443477 /nfs/dbraw/zinc/44/34/77/443443477.db2.gz OSZHGJOHLFUEFI-LLVKDONJSA-N 1 0 333.348 1.290 20 5 EDBDRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000282810149 443440460 /nfs/dbraw/zinc/44/04/60/443440460.db2.gz BGSXGVDZLKIRQC-ZDUSSCGKSA-N 1 0 331.332 1.312 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000264988806 443500703 /nfs/dbraw/zinc/50/07/03/443500703.db2.gz GYVQVOQLAQIJSH-UHFFFAOYSA-N 1 0 348.403 1.983 20 5 EDBDRO C[C@@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000273020564 443520813 /nfs/dbraw/zinc/52/08/13/443520813.db2.gz BWVULDWKEXHVMH-DOMZBBRYSA-N 1 0 341.433 1.250 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279167842 443523257 /nfs/dbraw/zinc/52/32/57/443523257.db2.gz CHCZAOAHNPISOT-CQSZACIVSA-N 1 0 329.360 1.714 20 5 EDBDRO COC(=O)[C@@H](C)C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273039342 443525887 /nfs/dbraw/zinc/52/58/87/443525887.db2.gz OPYOSVOBYHDQOA-RYUDHWBXSA-N 1 0 326.349 1.075 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000272949302 443498494 /nfs/dbraw/zinc/49/84/94/443498494.db2.gz DIWHQMLGIKGXSB-PXAZEXFGSA-N 1 0 348.403 1.219 20 5 EDBDRO C[N@@H+](Cc1cc(F)c(F)c(F)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000272259531 443572201 /nfs/dbraw/zinc/57/22/01/443572201.db2.gz MPQHDEQCNPKBPD-NSHDSACASA-N 1 0 344.293 1.702 20 5 EDBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCC[C@H]1CCC[NH2+]C1 ZINC000429218908 319924849 /nfs/dbraw/zinc/92/48/49/319924849.db2.gz JDEMUFAKQXNKRL-GFCCVEGCSA-N 1 0 349.387 1.414 20 5 EDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000286143659 443655065 /nfs/dbraw/zinc/65/50/65/443655065.db2.gz POQCDFBNGDTEMV-BFQNTYOBSA-N 1 0 348.403 1.217 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276150811 443655383 /nfs/dbraw/zinc/65/53/83/443655383.db2.gz DSILRBFYKVBIDH-LBPRGKRZSA-N 1 0 327.406 1.529 20 5 EDBDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286155130 443657624 /nfs/dbraw/zinc/65/76/24/443657624.db2.gz WBKNYGLAXMSVRJ-COXVUDFISA-N 1 0 335.404 1.423 20 5 EDBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000434944312 320007026 /nfs/dbraw/zinc/00/70/26/320007026.db2.gz VJJPJZGTUPIFKM-SNVBAGLBSA-N 1 0 327.772 1.395 20 5 EDBDRO [NH3+][C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000440352245 320073267 /nfs/dbraw/zinc/07/32/67/320073267.db2.gz FNYQHCGSJNFKMM-SNVBAGLBSA-N 1 0 327.387 1.635 20 5 EDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000448765251 320157497 /nfs/dbraw/zinc/15/74/97/320157497.db2.gz XFMGSGBPACQSRJ-ZDUSSCGKSA-N 1 0 343.387 1.852 20 5 EDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000449216643 320178831 /nfs/dbraw/zinc/17/88/31/320178831.db2.gz UJIZHWSNGMKIIV-OLZOCXBDSA-N 1 0 341.433 1.397 20 5 EDBDRO COc1nccc(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000449373710 320185518 /nfs/dbraw/zinc/18/55/18/320185518.db2.gz UMRPZTHCVMGNGN-LLVKDONJSA-N 1 0 345.359 1.900 20 5 EDBDRO CC(C)(C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)n1cc([N+](=O)[O-])cn1 ZINC000449705492 320200719 /nfs/dbraw/zinc/20/07/19/320200719.db2.gz YGKBVUHWMKZDMB-OLZOCXBDSA-N 1 0 335.408 1.375 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C[C@@H]1[NH+](C)C ZINC000449984630 320207495 /nfs/dbraw/zinc/20/74/95/320207495.db2.gz JBIJILFTYCHHGO-WBMJQRKESA-N 1 0 343.387 1.803 20 5 EDBDRO CN1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1=O ZINC000450037101 320209889 /nfs/dbraw/zinc/20/98/89/320209889.db2.gz CRZYVLWVXDRDTQ-GFCCVEGCSA-N 1 0 343.343 1.131 20 5 EDBDRO C[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@@H+](C2CC2)C1 ZINC000452568050 320251923 /nfs/dbraw/zinc/25/19/23/320251923.db2.gz GELCWLDSQSGMQW-LBPRGKRZSA-N 1 0 335.408 1.469 20 5 EDBDRO COc1nccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000453262503 320261399 /nfs/dbraw/zinc/26/13/99/320261399.db2.gz SRBOPKARBUKZSH-OLZOCXBDSA-N 1 0 332.364 1.863 20 5 EDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000453322212 320263115 /nfs/dbraw/zinc/26/31/15/320263115.db2.gz ADWNXTMKOALDRN-QXSJWSMHSA-N 1 0 349.435 1.728 20 5 EDBDRO C[C@H]1NC(=O)N(CCN(Cc2ccccc2[N+](=O)[O-])C2CC2)C1=O ZINC000459364975 320347385 /nfs/dbraw/zinc/34/73/85/320347385.db2.gz KXXCNOVLYAJBSV-LLVKDONJSA-N 1 0 332.360 1.500 20 5 EDBDRO COC(=O)CC1([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCC1 ZINC000459382862 320347909 /nfs/dbraw/zinc/34/79/09/320347909.db2.gz AMWBZVQRYCOCPF-UHFFFAOYSA-N 1 0 335.360 1.917 20 5 EDBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491564753 320372469 /nfs/dbraw/zinc/37/24/69/320372469.db2.gz YRFDRLKHTUGCQH-KIUWMYQTSA-N 1 0 346.387 1.064 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000276377838 443692956 /nfs/dbraw/zinc/69/29/56/443692956.db2.gz FMJJZRRERDHAOD-UHFFFAOYSA-N 1 0 336.392 1.790 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000283743277 443704517 /nfs/dbraw/zinc/70/45/17/443704517.db2.gz JLOFLPNEMDYFMZ-LBPRGKRZSA-N 1 0 336.392 1.863 20 5 EDBDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000298533492 443793635 /nfs/dbraw/zinc/79/36/35/443793635.db2.gz WQCHYGYOPLYRFK-NSHDSACASA-N 1 0 325.365 1.635 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000298434564 443768806 /nfs/dbraw/zinc/76/88/06/443768806.db2.gz NEGBLVAOUADURT-IAGOWNOFSA-N 1 0 335.404 1.206 20 5 EDBDRO COCCC[N@H+](C)CCNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000276790467 443828721 /nfs/dbraw/zinc/82/87/21/443828721.db2.gz PMJHITLSKRNULV-UHFFFAOYSA-N 1 0 326.353 1.157 20 5 EDBDRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000530386514 320622918 /nfs/dbraw/zinc/62/29/18/320622918.db2.gz XKMWOIAHYRAIAA-NSHDSACASA-N 1 0 328.394 1.143 20 5 EDBDRO CCc1n[nH]c(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000288312482 443840685 /nfs/dbraw/zinc/84/06/85/443840685.db2.gz IPBGIQCGXWUAHM-UHFFFAOYSA-N 1 0 343.387 1.837 20 5 EDBDRO CCOc1cc(CN2CC[NH+](C[C@H](O)CC)CC2)ccc1[N+](=O)[O-] ZINC000276832458 443845004 /nfs/dbraw/zinc/84/50/04/443845004.db2.gz BGUAOLLBVXZKQN-OAHLLOKOSA-N 1 0 337.420 1.882 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000530912691 320643561 /nfs/dbraw/zinc/64/35/61/320643561.db2.gz OFSPHOYZLMCGPV-GHMZBOCLSA-N 1 0 335.360 1.926 20 5 EDBDRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000292964364 443890193 /nfs/dbraw/zinc/89/01/93/443890193.db2.gz FZFBTSWNESUQQJ-KRWDZBQOSA-N 1 0 335.404 1.924 20 5 EDBDRO C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285107292 443858683 /nfs/dbraw/zinc/85/86/83/443858683.db2.gz KQGAOEWLLDMEEI-CYBMUJFWSA-N 1 0 335.452 1.854 20 5 EDBDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000281409240 443903261 /nfs/dbraw/zinc/90/32/61/443903261.db2.gz OBMZGNUGXUNGJP-HNNXBMFYSA-N 1 0 340.380 1.083 20 5 EDBDRO COc1cc(C[NH2+]CC(C)(C)OCCO)c([N+](=O)[O-])cc1OC ZINC000288519310 443906173 /nfs/dbraw/zinc/90/61/73/443906173.db2.gz UOYUJMWCPAVNKA-UHFFFAOYSA-N 1 0 328.365 1.489 20 5 EDBDRO Cn1nccc1[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000281422127 443906295 /nfs/dbraw/zinc/90/62/95/443906295.db2.gz OSCHDDDWLBATFC-HIFRSBDPSA-N 1 0 334.380 1.113 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000277304224 443957611 /nfs/dbraw/zinc/95/76/11/443957611.db2.gz PKRDHPSWXNNFRC-LBPRGKRZSA-N 1 0 349.387 1.922 20 5 EDBDRO COc1cc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000285674471 444068242 /nfs/dbraw/zinc/06/82/42/444068242.db2.gz HIAHPFDURSSLOB-ZIAGYGMSSA-N 1 0 335.360 1.149 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000299522265 444069593 /nfs/dbraw/zinc/06/95/93/444069593.db2.gz PLBUPEUYRVVKLW-CYBMUJFWSA-N 1 0 337.424 1.726 20 5 EDBDRO C[N@@H+]1CCN(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000281986732 444056241 /nfs/dbraw/zinc/05/62/41/444056241.db2.gz XFZZCHUQEDZOCR-UHFFFAOYSA-N 1 0 335.408 1.742 20 5 EDBDRO CC[NH+]1CCC(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000562296869 321050434 /nfs/dbraw/zinc/05/04/34/321050434.db2.gz NEKXGGMDFHVMMT-UHFFFAOYSA-N 1 0 347.462 1.975 20 5 EDBDRO CC(C)N1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000567581854 321246709 /nfs/dbraw/zinc/24/67/09/321246709.db2.gz SCUKJQNTSFMRJI-CYBMUJFWSA-N 1 0 334.376 1.522 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCCc3c(F)cccc32)c1 ZINC000567696145 321253837 /nfs/dbraw/zinc/25/38/37/321253837.db2.gz RXJOYIOYQHCKQR-BLLLJJGKSA-N 1 0 334.351 1.959 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000289522477 444164354 /nfs/dbraw/zinc/16/43/54/444164354.db2.gz RQRWCTOLZPOHDK-HNNXBMFYSA-N 1 0 327.388 1.928 20 5 EDBDRO COc1cc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)cc([N+](=O)[O-])c1C ZINC000285843286 444126397 /nfs/dbraw/zinc/12/63/97/444126397.db2.gz PZJHWBBYHSOTQV-CABCVRRESA-N 1 0 349.387 1.457 20 5 EDBDRO CC1=CC[N@H+](CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000302181683 444207794 /nfs/dbraw/zinc/20/77/94/444207794.db2.gz YSWITIRPLULALI-UHFFFAOYSA-N 1 0 340.405 1.306 20 5 EDBDRO CC[C@H]([NH3+])CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000295238096 444172768 /nfs/dbraw/zinc/17/27/68/444172768.db2.gz OUFLTROPMAASRO-ZFWWWQNUSA-N 1 0 348.403 1.361 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301899894 444195832 /nfs/dbraw/zinc/19/58/32/444195832.db2.gz UEPOMCQXUMWEAS-GFCCVEGCSA-N 1 0 341.433 1.776 20 5 EDBDRO COc1cc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000301971431 444198579 /nfs/dbraw/zinc/19/85/79/444198579.db2.gz SIQRNFJBWZCLSG-OAHLLOKOSA-N 1 0 348.403 1.522 20 5 EDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000576357686 321560270 /nfs/dbraw/zinc/56/02/70/321560270.db2.gz SFMBPLTVOXVFFP-KOLCDFICSA-N 1 0 326.784 1.998 20 5 EDBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCn1cc(CO)nn1)CCC2 ZINC000289769774 444201152 /nfs/dbraw/zinc/20/11/52/444201152.db2.gz MBSJTZORDMTVPD-MRXNPFEDSA-N 1 0 331.376 1.736 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000304359631 444248033 /nfs/dbraw/zinc/24/80/33/444248033.db2.gz TUKKJWAKQAFHLP-WBVHZDCISA-N 1 0 330.388 1.859 20 5 EDBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302822788 444225953 /nfs/dbraw/zinc/22/59/53/444225953.db2.gz SXANPVMZKARQIB-AWEZNQCLSA-N 1 0 336.367 1.477 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000317267898 444315018 /nfs/dbraw/zinc/31/50/18/444315018.db2.gz RDYMJEHFPOCZCZ-GXSJLCMTSA-N 1 0 347.824 1.996 20 5 EDBDRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C2=O ZINC000577629865 321669361 /nfs/dbraw/zinc/66/93/61/321669361.db2.gz SHBZKQZZRBROLL-MLGOLLRUSA-N 1 0 332.360 1.534 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000318875131 444321549 /nfs/dbraw/zinc/32/15/49/444321549.db2.gz CTDZWJSABFRNLM-GFCCVEGCSA-N 1 0 327.406 1.666 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000322355673 444339664 /nfs/dbraw/zinc/33/96/64/444339664.db2.gz AGEDZSSUXVPEJK-STQMWFEESA-N 1 0 341.433 1.960 20 5 EDBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000290834147 444328266 /nfs/dbraw/zinc/32/82/66/444328266.db2.gz NCHARLJAPGRRDK-LBPRGKRZSA-N 1 0 336.392 1.770 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000340580654 444448779 /nfs/dbraw/zinc/44/87/79/444448779.db2.gz IVPONNDHJGLZQF-HNNXBMFYSA-N 1 0 343.387 1.947 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H](CO)c2cccnc2)c1 ZINC000580075132 322006478 /nfs/dbraw/zinc/00/64/78/322006478.db2.gz VHFVEMUHZSQKAC-GDBMZVCRSA-N 1 0 347.371 1.095 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000332120005 444501716 /nfs/dbraw/zinc/50/17/16/444501716.db2.gz FLQQNKFSWOEWFQ-HZPDHXFCSA-N 1 0 348.403 1.247 20 5 EDBDRO Cc1cc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc(C)c1O ZINC000581662771 322205534 /nfs/dbraw/zinc/20/55/34/322205534.db2.gz WIELMAJMNATIGM-OAHLLOKOSA-N 1 0 334.376 1.307 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000581835479 322223144 /nfs/dbraw/zinc/22/31/44/322223144.db2.gz AZKXHJGQANGVDK-NWDGAFQWSA-N 1 0 327.406 1.569 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000340853988 444544617 /nfs/dbraw/zinc/54/46/17/444544617.db2.gz KJZGZIJYZWKGNA-GFCCVEGCSA-N 1 0 337.424 1.809 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000611039943 450416680 /nfs/dbraw/zinc/41/66/80/450416680.db2.gz JNGLVUWPLGLHKR-CQSZACIVSA-N 1 0 334.376 1.317 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@](F)(CO)C1 ZINC000338597875 444766823 /nfs/dbraw/zinc/76/68/23/444766823.db2.gz YLZQRMFCLNPWIT-OAHLLOKOSA-N 1 0 325.340 1.638 20 5 EDBDRO COCC1([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCC1 ZINC000341216952 444734473 /nfs/dbraw/zinc/73/44/73/444734473.db2.gz WIPKXQNJJUXBBV-UHFFFAOYSA-N 1 0 338.360 1.805 20 5 EDBDRO C[C@H]1[C@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000344132970 444799400 /nfs/dbraw/zinc/79/94/00/444799400.db2.gz XVUKHQRJBSSWMB-SWLSCSKDSA-N 1 0 341.433 1.539 20 5 EDBDRO COc1ccc(S(=O)(=O)NC(C)(C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000336867251 444810999 /nfs/dbraw/zinc/81/09/99/444810999.db2.gz QFWQLMOFIOPSQY-UHFFFAOYSA-N 1 0 331.394 1.399 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000341579435 444905050 /nfs/dbraw/zinc/90/50/50/444905050.db2.gz VMVVHXBHWYVVKP-OAHLLOKOSA-N 1 0 337.376 1.026 20 5 EDBDRO C[NH+](C)Cc1ccc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nc1 ZINC000344430508 444965707 /nfs/dbraw/zinc/96/57/07/444965707.db2.gz CSIQRVGLGOLIRO-UHFFFAOYSA-N 1 0 342.403 1.773 20 5 EDBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000343149620 445098018 /nfs/dbraw/zinc/09/80/18/445098018.db2.gz HYTVQZVOUDJIFC-DGCLKSJQSA-N 1 0 329.360 1.883 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342114780 445180100 /nfs/dbraw/zinc/18/01/00/445180100.db2.gz WSMQTCQVHFCIDL-AEGPPILISA-N 1 0 332.404 1.901 20 5 EDBDRO O=C(C[NH+]1CCCC1)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000343641514 445277565 /nfs/dbraw/zinc/27/75/65/445277565.db2.gz JVEKHXVGLOPING-UHFFFAOYSA-N 1 0 332.404 1.335 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000351823285 445333963 /nfs/dbraw/zinc/33/39/63/445333963.db2.gz QXVRFYGGMJJFLQ-NXEZZACHSA-N 1 0 330.344 1.658 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000351872418 445349372 /nfs/dbraw/zinc/34/93/72/445349372.db2.gz AUSFVGGTBMDHLR-LLVKDONJSA-N 1 0 341.433 1.973 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@H]4C[NH2+]C[C@H]4C3)n2)c1 ZINC000357089165 445421080 /nfs/dbraw/zinc/42/10/80/445421080.db2.gz YDTYAVNEJDPUNU-STQMWFEESA-N 1 0 329.360 1.686 20 5 EDBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCOC(C)(C)C1 ZINC000351949548 445394502 /nfs/dbraw/zinc/39/45/02/445394502.db2.gz QFNNSVKLGAQDDU-GXTWGEPZSA-N 1 0 326.397 1.432 20 5 EDBDRO C[C@H]1CC[N@H+](C)CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000355636209 445471451 /nfs/dbraw/zinc/47/14/51/445471451.db2.gz RGGHKAVDCPHCQB-ZDUSSCGKSA-N 1 0 341.433 1.493 20 5 EDBDRO C[C@@H](C(=O)NCC1(O)CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000349192175 445531080 /nfs/dbraw/zinc/53/10/80/445531080.db2.gz ATRDCCZLWIJUSH-LLVKDONJSA-N 1 0 339.367 1.410 20 5 EDBDRO C[C@@H](CC[NH+](C)C)Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000357226762 445491873 /nfs/dbraw/zinc/49/18/73/445491873.db2.gz XVCPATNQZAODNS-NSHDSACASA-N 1 0 344.437 1.597 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000358416042 445619124 /nfs/dbraw/zinc/61/91/24/445619124.db2.gz AZWIWGHKZOMYLC-UHFFFAOYSA-N 1 0 341.302 2.496 20 5 EDBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC1(O)CCC1 ZINC000353528542 445643671 /nfs/dbraw/zinc/64/36/71/445643671.db2.gz TXWVPCBLADKZLC-UHFFFAOYSA-N 1 0 335.360 1.740 20 5 EDBDRO CSc1cccc(C(=O)NCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000363002971 445646242 /nfs/dbraw/zinc/64/62/42/445646242.db2.gz ZWFDMSSPJDMRDQ-UHFFFAOYSA-N 1 0 338.433 1.294 20 5 EDBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@H](CO)O2)c([N+](=O)[O-])cc1OC ZINC000353717668 445723430 /nfs/dbraw/zinc/72/34/30/445723430.db2.gz YOXTUUHFYFBBNQ-NWDGAFQWSA-N 1 0 326.349 1.242 20 5 EDBDRO C[C@H](CC[NH3+])NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000349953237 445732429 /nfs/dbraw/zinc/73/24/29/445732429.db2.gz UJWQXNYEZRDIIW-NXEZZACHSA-N 1 0 340.405 1.114 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]Cc2cccnc2)cc1[N+](=O)[O-] ZINC000353771685 445747749 /nfs/dbraw/zinc/74/77/49/445747749.db2.gz ARHPMWWRAVHXTH-UHFFFAOYSA-N 1 0 331.328 1.831 20 5 EDBDRO COc1c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000356448561 445794762 /nfs/dbraw/zinc/79/47/62/445794762.db2.gz RTAFSFMQQBRJEB-GFCCVEGCSA-N 1 0 337.376 1.180 20 5 EDBDRO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)[NH+]2CCCC2)o1 ZINC000356463451 445804592 /nfs/dbraw/zinc/80/45/92/445804592.db2.gz ROVNPZYMBYATPT-CYBMUJFWSA-N 1 0 347.375 1.797 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@H](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000361660576 445865853 /nfs/dbraw/zinc/86/58/53/445865853.db2.gz LCRGLBNSSJTVJZ-AAEUAGOBSA-N 1 0 338.360 1.207 20 5 EDBDRO Cc1ccnc(N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000361832116 445988372 /nfs/dbraw/zinc/98/83/72/445988372.db2.gz ZRASEGOCBDZQBW-HNNXBMFYSA-N 1 0 333.436 1.762 20 5 EDBDRO CC[C@](C)([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(N)=O ZINC000351269227 446022876 /nfs/dbraw/zinc/02/28/76/446022876.db2.gz LSSZLRZDOHCIPA-HNNXBMFYSA-N 1 0 338.364 1.176 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H](C[NH3+])CC(C)C)c(C)cc1[N+](=O)[O-] ZINC000583392431 326064833 /nfs/dbraw/zinc/06/48/33/326064833.db2.gz GNJSZIJCERGFNY-LBPRGKRZSA-N 1 0 329.422 1.863 20 5 EDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000583600463 326101394 /nfs/dbraw/zinc/10/13/94/326101394.db2.gz ISINEQGKBKTMGN-QGZVFWFLSA-N 1 0 348.403 1.711 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000583607250 326103188 /nfs/dbraw/zinc/10/31/88/326103188.db2.gz OUOAOZWASIEMKE-CZUORRHYSA-N 1 0 335.404 1.925 20 5 EDBDRO CC(C)N1C(=O)N[C@@]2(CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000361926383 446075745 /nfs/dbraw/zinc/07/57/45/446075745.db2.gz JIOUZBJOQNTMIZ-QGZVFWFLSA-N 1 0 346.387 1.542 20 5 EDBDRO Nc1ccc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000366201400 446079668 /nfs/dbraw/zinc/07/96/68/446079668.db2.gz LYPYLULSHDFXAK-ZDUSSCGKSA-N 1 0 334.376 1.160 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(Oc3cnccn3)CC2)c1 ZINC000373230614 446107713 /nfs/dbraw/zinc/10/77/13/446107713.db2.gz NQLNFTUIOUXUKW-MRXNPFEDSA-N 1 0 344.371 1.962 20 5 EDBDRO CCO[C@H]1COCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000362021657 446158484 /nfs/dbraw/zinc/15/84/84/446158484.db2.gz ZMDMSRMNDQXEOH-GJZGRUSLSA-N 1 0 337.376 1.707 20 5 EDBDRO CCO[C@H]1COCC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000362024278 446161029 /nfs/dbraw/zinc/16/10/29/446161029.db2.gz JJFTZCMWIXKHQZ-GJZGRUSLSA-N 1 0 337.376 1.341 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000366356272 446169993 /nfs/dbraw/zinc/16/99/93/446169993.db2.gz GQIWXOPRZBQXRD-GFCCVEGCSA-N 1 0 325.390 1.324 20 5 EDBDRO C[C@@H]1[C@H](NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000351578503 446175723 /nfs/dbraw/zinc/17/57/23/446175723.db2.gz CCYIBDHLSLYKMR-NOZJJQNGSA-N 1 0 338.339 1.271 20 5 EDBDRO CCc1n[nH]c(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2CC)c1[N+](=O)[O-] ZINC000365534754 446243815 /nfs/dbraw/zinc/24/38/15/446243815.db2.gz OUALFHNUQWMYPF-NEPJUHHUSA-N 1 0 335.408 1.969 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000366451046 446221644 /nfs/dbraw/zinc/22/16/44/446221644.db2.gz KTAWNZNPSZUJHA-JDICNCQASA-N 1 0 343.286 1.152 20 5 EDBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000366576828 446266216 /nfs/dbraw/zinc/26/62/16/446266216.db2.gz XEILHYMLRROILL-OAHLLOKOSA-N 1 0 341.371 1.652 20 5 EDBDRO NC(=O)c1ncn([C@@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000370429538 446274508 /nfs/dbraw/zinc/27/45/08/446274508.db2.gz BDRXHTQFADLCKU-CQSZACIVSA-N 1 0 344.375 1.165 20 5 EDBDRO CCOC(=O)c1ccnc(N2CC[NH2+]C[C@](C)(F)C2)c1[N+](=O)[O-] ZINC000420258357 446435951 /nfs/dbraw/zinc/43/59/51/446435951.db2.gz GCQNFBRJIUYMSO-AWEZNQCLSA-N 1 0 326.328 1.304 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC(C)(C)C[NH+](C)C)c1F ZINC000411161739 446414589 /nfs/dbraw/zinc/41/45/89/446414589.db2.gz WPUAXMQBRLRLDH-UHFFFAOYSA-N 1 0 341.383 1.989 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000366929922 446414770 /nfs/dbraw/zinc/41/47/70/446414770.db2.gz NIRUPWMPNPPDEH-SQWLQELKSA-N 1 0 336.388 1.978 20 5 EDBDRO CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C[NH3+])C1CC1 ZINC000420306783 446469603 /nfs/dbraw/zinc/46/96/03/446469603.db2.gz BKTFBCIMZVDJIA-CQSZACIVSA-N 1 0 327.406 1.038 20 5 EDBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000376407464 446479652 /nfs/dbraw/zinc/47/96/52/446479652.db2.gz MLQAGKDICPBRKX-SOLBZPMBSA-N 1 0 329.400 1.776 20 5 EDBDRO COc1ccc(NC(=O)CN[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c([N+](=O)[O-])c1 ZINC000420356025 446536457 /nfs/dbraw/zinc/53/64/57/446536457.db2.gz CJHGDZCSVJPWQM-GLKRBJQHSA-N 1 0 336.392 1.518 20 5 EDBDRO COC1([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000453125042 446544933 /nfs/dbraw/zinc/54/49/33/446544933.db2.gz SRZWQDBKSCJCKP-GFCCVEGCSA-N 1 0 337.376 1.707 20 5 EDBDRO O=C(CC[NH2+][C@H](CO)C1CCOCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411506407 446575526 /nfs/dbraw/zinc/57/55/26/446575526.db2.gz PSPONOBAYNITRO-OAHLLOKOSA-N 1 0 337.376 1.301 20 5 EDBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000420412324 446586073 /nfs/dbraw/zinc/58/60/73/446586073.db2.gz CTHQTXWTFJBMPW-CYBMUJFWSA-N 1 0 327.406 1.008 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000420419750 446593662 /nfs/dbraw/zinc/59/36/62/446593662.db2.gz JKCDJVCKUIEBBS-BPLDGKMQSA-N 1 0 339.417 1.136 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000420430892 446605828 /nfs/dbraw/zinc/60/58/28/446605828.db2.gz WPESETHFEDVBOD-DGCLKSJQSA-N 1 0 327.406 1.136 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC000420457787 446636758 /nfs/dbraw/zinc/63/67/58/446636758.db2.gz JIMDRDSXMJVBJU-IUODEOHRSA-N 1 0 341.433 1.817 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000420461219 446639388 /nfs/dbraw/zinc/63/93/88/446639388.db2.gz RUSUAIHYMZGDLH-OLZOCXBDSA-N 1 0 339.417 1.727 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000423667637 446633225 /nfs/dbraw/zinc/63/32/25/446633225.db2.gz KNOXOGHJDBPIHG-CBAPKCEASA-N 1 0 345.302 1.767 20 5 EDBDRO Cn1cc([C@H]2[C@H](CNc3ncc([N+](=O)[O-])cn3)CCC[N@@H+]2C)cn1 ZINC000368181096 446690125 /nfs/dbraw/zinc/69/01/25/446690125.db2.gz QLVYWGLVYMOWNI-SMDDNHRTSA-N 1 0 331.380 1.613 20 5 EDBDRO COC(=O)[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000411904315 446712597 /nfs/dbraw/zinc/71/25/97/446712597.db2.gz LQXUONNQQWDSRQ-NSHDSACASA-N 1 0 325.340 1.271 20 5 EDBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000619254652 450435297 /nfs/dbraw/zinc/43/52/97/450435297.db2.gz OMPDMWFBFOIAOL-OAHLLOKOSA-N 1 0 325.340 1.263 20 5 EDBDRO C[NH+]1CC2(C1)CCN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C2 ZINC000619251658 450434527 /nfs/dbraw/zinc/43/45/27/450434527.db2.gz JUHBLJKORGZDIT-UHFFFAOYSA-N 1 0 332.404 1.951 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(CO)(Nc3ccccc3)CC2)c1 ZINC000371187198 446679972 /nfs/dbraw/zinc/67/99/72/446679972.db2.gz ATBYQKRPDWTUKX-UHFFFAOYSA-N 1 0 345.403 1.730 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371283807 446741604 /nfs/dbraw/zinc/74/16/04/446741604.db2.gz LVEXRKFAKIBRMD-VNQPRFMTSA-N 1 0 332.404 1.173 20 5 EDBDRO CC(C)[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCC(=O)N1 ZINC000412071721 446832882 /nfs/dbraw/zinc/83/28/82/446832882.db2.gz HTPOHGKEMGHNQO-CYBMUJFWSA-N 1 0 334.376 1.183 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@@]1(C)C[NH3+] ZINC000423979911 446805079 /nfs/dbraw/zinc/80/50/79/446805079.db2.gz CLISILZONSSYDE-SJKOYZFVSA-N 1 0 343.387 1.837 20 5 EDBDRO C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@@H](C)C[N@@H+]1CCO ZINC000418994832 446852637 /nfs/dbraw/zinc/85/26/37/446852637.db2.gz INVBTBOBRJLEDR-MNOVXSKESA-N 1 0 347.375 1.135 20 5 EDBDRO CN1CC[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)[C@H]2C1 ZINC000371492867 446890030 /nfs/dbraw/zinc/89/00/30/446890030.db2.gz JYEFLYJHTAOWQJ-UWVGGRQHSA-N 1 0 331.419 1.371 20 5 EDBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1(C)CCC1 ZINC000420970611 446940517 /nfs/dbraw/zinc/94/05/17/446940517.db2.gz GDCLPBTYFKYMJN-UHFFFAOYSA-N 1 0 341.433 1.995 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000420999816 446976571 /nfs/dbraw/zinc/97/65/71/446976571.db2.gz JTUONFWHKKMNSR-ZDUSSCGKSA-N 1 0 336.392 1.568 20 5 EDBDRO COc1ccc(NC(=O)CN(C)C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000421016639 446987388 /nfs/dbraw/zinc/98/73/88/446987388.db2.gz YNQZRLOVFTYAHN-LBPRGKRZSA-N 1 0 336.392 1.568 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000419267585 447043611 /nfs/dbraw/zinc/04/36/11/447043611.db2.gz JCFHNUKCDHOUNB-OLZOCXBDSA-N 1 0 348.403 1.196 20 5 EDBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000419270438 447046301 /nfs/dbraw/zinc/04/63/01/447046301.db2.gz NKNKSYORAFGMOT-LLVKDONJSA-N 1 0 334.376 1.030 20 5 EDBDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000419276127 447050128 /nfs/dbraw/zinc/05/01/28/447050128.db2.gz SSSBHJLSGHWMLD-PWSUYJOCSA-N 1 0 336.392 1.052 20 5 EDBDRO C[N@@H+]1CCN(CCNc2ncc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000368707260 447055297 /nfs/dbraw/zinc/05/52/97/447055297.db2.gz PESCNWJEQOYYKE-INIZCTEOSA-N 1 0 342.403 1.785 20 5 EDBDRO CCCN(CCN1CC[NH+](CC)CC1)c1ncc([N+](=O)[O-])cc1F ZINC000413290907 447118835 /nfs/dbraw/zinc/11/88/35/447118835.db2.gz BCJUNBYOFHGKSO-UHFFFAOYSA-N 1 0 339.415 1.983 20 5 EDBDRO COc1cc(C[N@@H+]2CC[C@H](c3nnc[nH]3)C2)c([N+](=O)[O-])cc1OC ZINC000425348713 447123576 /nfs/dbraw/zinc/12/35/76/447123576.db2.gz CIJTVXHFJQBLAZ-JTQLQIEISA-N 1 0 333.348 1.720 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)[C@@H]2C1 ZINC000425286035 447096728 /nfs/dbraw/zinc/09/67/28/447096728.db2.gz POCNPBRSNVXNAQ-IINYFYTJSA-N 1 0 329.360 1.774 20 5 EDBDRO COc1c(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000413796683 447246871 /nfs/dbraw/zinc/24/68/71/447246871.db2.gz HJQPTGFAJLDWHB-GFCCVEGCSA-N 1 0 337.376 1.180 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000377624082 447252551 /nfs/dbraw/zinc/25/25/51/447252551.db2.gz FUDRITHNXHHNIT-OCCSQVGLSA-N 1 0 346.387 1.300 20 5 EDBDRO CNc1nc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000456036875 447287772 /nfs/dbraw/zinc/28/77/72/447287772.db2.gz KNMRDPLDTDIFNN-GFCCVEGCSA-N 1 0 333.392 1.778 20 5 EDBDRO C[C@@H](C[NH+]1CCN(C)CC1)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450316583 447451976 /nfs/dbraw/zinc/45/19/76/447451976.db2.gz HSMDWGPASHHANY-ZDUSSCGKSA-N 1 0 329.404 2.191 20 5 EDBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000456906649 447483823 /nfs/dbraw/zinc/48/38/23/447483823.db2.gz VEFYHYAGXOCEHZ-UHFFFAOYSA-N 1 0 340.449 1.802 20 5 EDBDRO C[N@H+]1CC=C(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000450419798 447484234 /nfs/dbraw/zinc/48/42/34/447484234.db2.gz PEGAMANDIDYEBX-UHFFFAOYSA-N 1 0 341.371 1.772 20 5 EDBDRO Cc1nn(CCC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000457119179 447524607 /nfs/dbraw/zinc/52/46/07/447524607.db2.gz NFESVAXICJDYCR-CQSZACIVSA-N 1 0 337.424 1.739 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420058587 447574153 /nfs/dbraw/zinc/57/41/53/447574153.db2.gz FNZDBCXBDDCWGM-CQSZACIVSA-N 1 0 348.403 1.187 20 5 EDBDRO COC(=O)[C@@H](C)NC(=O)c1ccc(N[C@H](C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000420226095 447677999 /nfs/dbraw/zinc/67/79/99/447677999.db2.gz KMNNIJZCTFJVMU-NXEZZACHSA-N 1 0 338.364 1.035 20 5 EDBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000458207779 447745093 /nfs/dbraw/zinc/74/50/93/447745093.db2.gz WRGKXDFNFXMUQQ-UHFFFAOYSA-N 1 0 337.405 1.443 20 5 EDBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(N3CCOCC3)CCOCC2)c1 ZINC000459725246 447753675 /nfs/dbraw/zinc/75/36/75/447753675.db2.gz ZMLHPLCGBNJDAH-UHFFFAOYSA-N 1 0 335.404 1.566 20 5 EDBDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423039635 447796329 /nfs/dbraw/zinc/79/63/29/447796329.db2.gz FUKJGXVGMWEMGC-TZMCWYRMSA-N 1 0 341.795 1.674 20 5 EDBDRO C[N@@H+]1CC[C@]2(CCN(c3cccc(S(C)(=O)=O)c3[N+](=O)[O-])C2)C1 ZINC000488776439 447850410 /nfs/dbraw/zinc/85/04/10/447850410.db2.gz NZZAHSYKWGIQRZ-HNNXBMFYSA-N 1 0 339.417 1.530 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000549041038 447861446 /nfs/dbraw/zinc/86/14/46/447861446.db2.gz VCPGLAYRBKZCSD-NILFDRSVSA-N 1 0 339.417 1.651 20 5 EDBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000569723495 447878158 /nfs/dbraw/zinc/87/81/58/447878158.db2.gz KAELTPGREQGXJH-CJNGLKHVSA-N 1 0 333.388 1.953 20 5 EDBDRO COC(=O)Nc1cccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000496776284 447902995 /nfs/dbraw/zinc/90/29/95/447902995.db2.gz JGNXXGSGYVUUNT-CQSZACIVSA-N 1 0 349.347 1.120 20 5 EDBDRO CC(C)(C)C[C@@H](CO)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576159978 447986044 /nfs/dbraw/zinc/98/60/44/447986044.db2.gz OGNJHSGGQISLHM-JSGCOSHPSA-N 1 0 326.393 1.721 20 5 EDBDRO C[C@H]1CC[N@H+](CCNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000525804978 448028539 /nfs/dbraw/zinc/02/85/39/448028539.db2.gz ZOTLTYMUXFVELP-ZDUSSCGKSA-N 1 0 348.403 1.173 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000531370217 448071792 /nfs/dbraw/zinc/07/17/92/448071792.db2.gz TUVCIJXHIATQGT-UHFFFAOYSA-N 1 0 334.351 1.934 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc3c(c2)OCCCO3)c1 ZINC000570837032 448073224 /nfs/dbraw/zinc/07/32/24/448073224.db2.gz NNZQVHRCCSQKSF-CQSZACIVSA-N 1 0 348.359 1.103 20 5 EDBDRO CS[C@H](CO)[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000571166052 448115311 /nfs/dbraw/zinc/11/53/11/448115311.db2.gz QNQMVBFBWYPPJF-VHRBIJSZSA-N 1 0 330.406 1.037 20 5 EDBDRO C[N@@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC12CCCCC2 ZINC000576766133 448135068 /nfs/dbraw/zinc/13/50/68/448135068.db2.gz OHVUHXKLPSKFMJ-UHFFFAOYSA-N 1 0 334.420 1.707 20 5 EDBDRO CCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000527058477 448149682 /nfs/dbraw/zinc/14/96/82/448149682.db2.gz HDSSBFIIJYDHPZ-UHFFFAOYSA-N 1 0 337.376 1.780 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000577172183 448224216 /nfs/dbraw/zinc/22/42/16/448224216.db2.gz LEWZRGLLKGABKN-STQMWFEESA-N 1 0 332.360 1.205 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cccc1[N+](=O)[O-] ZINC000591304576 448316176 /nfs/dbraw/zinc/31/61/76/448316176.db2.gz JZTABVRQZNQUJD-YPMHNXCESA-N 1 0 332.360 1.052 20 5 EDBDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000591263793 448301351 /nfs/dbraw/zinc/30/13/51/448301351.db2.gz TVDOUMRARCMJPF-LLVKDONJSA-N 1 0 335.360 1.276 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[C@@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])c1 ZINC000591448953 448367089 /nfs/dbraw/zinc/36/70/89/448367089.db2.gz SCNHRPHKIYJHDN-SWLSCSKDSA-N 1 0 348.403 1.616 20 5 EDBDRO CN1CCN(C(=O)C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591347916 448334466 /nfs/dbraw/zinc/33/44/66/448334466.db2.gz CUMYGEMEEOEXEQ-KRWDZBQOSA-N 1 0 346.431 1.726 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000591351679 448336543 /nfs/dbraw/zinc/33/65/43/448336543.db2.gz RONMQAJAPLAOGB-KRWDZBQOSA-N 1 0 348.403 1.759 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCOC[C@@H]3CCCO3)C2)nc1 ZINC000533378614 448394817 /nfs/dbraw/zinc/39/48/17/448394817.db2.gz NAVZDUMPJTYHPG-ZFWWWQNUSA-N 1 0 336.392 1.672 20 5 EDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1C[NH2+]CCC1(F)F ZINC000591671811 448442095 /nfs/dbraw/zinc/44/20/95/448442095.db2.gz LILYTKNBGBKKMT-SNVBAGLBSA-N 1 0 328.319 1.368 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2OCCc3ccccc32)c1 ZINC000591739703 448477323 /nfs/dbraw/zinc/47/73/23/448477323.db2.gz UUBYSOFTGVSLQT-HOCLYGCPSA-N 1 0 332.360 1.056 20 5 EDBDRO CC(C)([NH3+])c1nocc1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000566473702 448486266 /nfs/dbraw/zinc/48/62/66/448486266.db2.gz LMXLYGQSVBZKOJ-UHFFFAOYSA-N 1 0 333.348 1.619 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000537944104 448575243 /nfs/dbraw/zinc/57/52/43/448575243.db2.gz NONCKDDXSXBLCW-MNOVXSKESA-N 1 0 343.405 1.335 20 5 EDBDRO COCC[N@H+](C)C[C@H](O)Cn1ccnc1-c1ccc([N+](=O)[O-])cc1 ZINC000567752616 448752284 /nfs/dbraw/zinc/75/22/84/448752284.db2.gz QGSHTAVFHJVCKQ-HNNXBMFYSA-N 1 0 334.376 1.397 20 5 EDBDRO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000592277658 448771445 /nfs/dbraw/zinc/77/14/45/448771445.db2.gz XKQWHFHUYXSPRV-ZDUSSCGKSA-N 1 0 333.392 1.345 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592307960 448784000 /nfs/dbraw/zinc/78/40/00/448784000.db2.gz LAWZKMNILRGZLX-SUNKGSAMSA-N 1 0 339.417 1.650 20 5 EDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592310032 448786295 /nfs/dbraw/zinc/78/62/95/448786295.db2.gz VGODQRHTAPFRMP-GWCFXTLKSA-N 1 0 339.417 1.895 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](c2ccccc2)C2CC2)c1 ZINC000519594690 448793226 /nfs/dbraw/zinc/79/32/26/448793226.db2.gz JXJNTZYCOBRZHL-IRXDYDNUSA-N 1 0 330.388 1.936 20 5 EDBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000592342917 448799166 /nfs/dbraw/zinc/79/91/66/448799166.db2.gz IMNIFJTTWXVDSQ-ZBFHGGJFSA-N 1 0 333.388 1.953 20 5 EDBDRO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000592392968 448821171 /nfs/dbraw/zinc/82/11/71/448821171.db2.gz AIPIRGYOXQQUEC-UWVGGRQHSA-N 1 0 338.389 1.547 20 5 EDBDRO [NH3+]Cc1ccc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000579589640 448829908 /nfs/dbraw/zinc/82/99/08/448829908.db2.gz WINWXDQNRANVHG-UHFFFAOYSA-N 1 0 329.360 1.727 20 5 EDBDRO C[N@@H+]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H](c2ccccc2)C1 ZINC000592464145 448848481 /nfs/dbraw/zinc/84/84/81/448848481.db2.gz ZIYALHQDOISSKL-HIFRSBDPSA-N 1 0 328.372 1.998 20 5 EDBDRO COCC[NH+](CCOC)C1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000588076719 448867039 /nfs/dbraw/zinc/86/70/39/448867039.db2.gz MEPLGZLOLUWACZ-UHFFFAOYSA-N 1 0 338.408 1.553 20 5 EDBDRO COc1ccc(CN2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000592522667 448876330 /nfs/dbraw/zinc/87/63/30/448876330.db2.gz DYMHOTMRTQTFGL-LBPRGKRZSA-N 1 0 336.392 1.155 20 5 EDBDRO C[C@H](CCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000592555288 448898071 /nfs/dbraw/zinc/89/80/71/448898071.db2.gz VDJNMLNTAHYWGV-MNOVXSKESA-N 1 0 338.364 1.036 20 5 EDBDRO Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000579891799 448902685 /nfs/dbraw/zinc/90/26/85/448902685.db2.gz HUONUQXIYOHJDQ-DGCLKSJQSA-N 1 0 334.376 1.727 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1c2ccccc2C[C@H]1O ZINC000579958598 448922225 /nfs/dbraw/zinc/92/22/25/448922225.db2.gz KTTIONQPKOTFFV-QBIMZIAESA-N 1 0 344.367 1.582 20 5 EDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC[C@@H](O)C(F)(F)F)OCCO2 ZINC000589196554 448986516 /nfs/dbraw/zinc/98/65/16/448986516.db2.gz MJKXEUVNTZQIGM-GFCCVEGCSA-N 1 0 336.266 1.769 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548089412 448981670 /nfs/dbraw/zinc/98/16/70/448981670.db2.gz JWTOKKHCDWGBSZ-BXUZGUMPSA-N 1 0 329.360 1.568 20 5 EDBDRO Cc1sc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588863048 448941846 /nfs/dbraw/zinc/94/18/46/448941846.db2.gz ONPAWKCUCHWPSS-GHMZBOCLSA-N 1 0 325.390 1.246 20 5 EDBDRO C[C@@H](CCO)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000521624850 449003514 /nfs/dbraw/zinc/00/35/14/449003514.db2.gz DCUJDLKZKQAVLS-GFCCVEGCSA-N 1 0 330.406 1.367 20 5 EDBDRO CC(C)[C@H](O)C1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000582360186 449074977 /nfs/dbraw/zinc/07/49/77/449074977.db2.gz DSZISLMUCVXRIJ-HOCLYGCPSA-N 1 0 338.404 1.721 20 5 EDBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548388154 449037363 /nfs/dbraw/zinc/03/73/63/449037363.db2.gz OPCGTVPNJINCOP-TXEJJXNPSA-N 1 0 349.435 2.058 20 5 EDBDRO COc1ccc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000592899885 449043419 /nfs/dbraw/zinc/04/34/19/449043419.db2.gz VHMFNGVWGWRGFD-UHFFFAOYSA-N 1 0 349.387 1.540 20 5 EDBDRO COC(=O)COc1ccc(CN2CC[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000575133905 449044720 /nfs/dbraw/zinc/04/47/20/449044720.db2.gz ANMQDURMIIEMLO-AAEUAGOBSA-N 1 0 337.376 1.458 20 5 EDBDRO CC[C@@H](C)[N@H+](C)CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000522045935 449045090 /nfs/dbraw/zinc/04/50/90/449045090.db2.gz NQHYLFHFOWOHGX-SNVBAGLBSA-N 1 0 330.410 1.384 20 5 EDBDRO CN(CC[NH+]1CCCC1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000522160642 449057275 /nfs/dbraw/zinc/05/72/75/449057275.db2.gz ZEUMHUXAUCHXGL-UHFFFAOYSA-N 1 0 336.392 1.711 20 5 EDBDRO CNc1nccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597859244 449126505 /nfs/dbraw/zinc/12/65/05/449126505.db2.gz BZUOEADHPDMZMK-NSHDSACASA-N 1 0 335.408 1.882 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597859650 449126592 /nfs/dbraw/zinc/12/65/92/449126592.db2.gz WXZSTYDGRRUYCS-AWEZNQCLSA-N 1 0 348.403 1.314 20 5 EDBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593600101 449100543 /nfs/dbraw/zinc/10/05/43/449100543.db2.gz ZNLSTABLSBFAFX-YPMHNXCESA-N 1 0 340.405 1.237 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000599916846 449107522 /nfs/dbraw/zinc/10/75/22/449107522.db2.gz GDHLXTGFCZKBGU-CMPLNLGQSA-N 1 0 332.364 1.411 20 5 EDBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCOCCC[NH3+] ZINC000599934504 449115225 /nfs/dbraw/zinc/11/52/25/449115225.db2.gz QBBSFRSBPIHASD-UHFFFAOYSA-N 1 0 338.408 1.880 20 5 EDBDRO O=C(NC[C@@H]1COCC[NH2+]1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599938150 449116931 /nfs/dbraw/zinc/11/69/31/449116931.db2.gz HJWJQRLETSEZRC-HUUCEWRRSA-N 1 0 348.403 1.472 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCC1CC[NH2+]CC1 ZINC000593704072 449153409 /nfs/dbraw/zinc/15/34/09/449153409.db2.gz WYLGRIDNMQTIBO-UHFFFAOYSA-N 1 0 336.392 1.792 20 5 EDBDRO C[C@@]12COC[C@H]1C[N@H+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)C2 ZINC000595762068 449153616 /nfs/dbraw/zinc/15/36/16/449153616.db2.gz ZQNAWHAWUPZKOL-CXAGYDPISA-N 1 0 331.372 1.452 20 5 EDBDRO CCN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@H]1CC[N@H+](C)C1 ZINC000597946895 449155353 /nfs/dbraw/zinc/15/53/53/449155353.db2.gz RZPDFHPINWNQJN-AWEZNQCLSA-N 1 0 344.375 1.342 20 5 EDBDRO COc1cc(C[NH2+]CC[C@@]2(O)CCOC2)c([N+](=O)[O-])cc1OC ZINC000593671819 449141994 /nfs/dbraw/zinc/14/19/94/449141994.db2.gz UOZAKGFLROJURK-OAHLLOKOSA-N 1 0 326.349 1.243 20 5 EDBDRO Cc1nn(CCC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000597923665 449144206 /nfs/dbraw/zinc/14/42/06/449144206.db2.gz NXQRYXQMKYXHNY-CYBMUJFWSA-N 1 0 337.424 1.787 20 5 EDBDRO C[C@@H](CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)[NH+](C)C ZINC000597992799 449176394 /nfs/dbraw/zinc/17/63/94/449176394.db2.gz NMENADVUACXTBE-LBPRGKRZSA-N 1 0 346.387 1.978 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000600112610 449196111 /nfs/dbraw/zinc/19/61/11/449196111.db2.gz SGNFELDZBOHPTR-UHFFFAOYSA-N 1 0 333.388 1.461 20 5 EDBDRO CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](CC)C1 ZINC000598038679 449207290 /nfs/dbraw/zinc/20/72/90/449207290.db2.gz GGUSGAJXAYNMGX-CQSZACIVSA-N 1 0 334.420 1.974 20 5 EDBDRO CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](CC)C1 ZINC000598038678 449207515 /nfs/dbraw/zinc/20/75/15/449207515.db2.gz GGUSGAJXAYNMGX-AWEZNQCLSA-N 1 0 334.420 1.974 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000590563014 449192233 /nfs/dbraw/zinc/19/22/33/449192233.db2.gz OLEBTRQDBBTSBS-UHFFFAOYSA-N 1 0 332.404 1.223 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000604511329 449241571 /nfs/dbraw/zinc/24/15/71/449241571.db2.gz WLHNXJOCUXYNBK-UHFFFAOYSA-N 1 0 333.348 1.614 20 5 EDBDRO COc1cc(CCNC(=O)C[NH2+]C(C)C)c([N+](=O)[O-])cc1OC ZINC000595923267 449255540 /nfs/dbraw/zinc/25/55/40/449255540.db2.gz XDBOCCIALTWROL-UHFFFAOYSA-N 1 0 325.365 1.269 20 5 EDBDRO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CCC[N@@H+](CCCO)C3)c2c1 ZINC000590708739 449255856 /nfs/dbraw/zinc/25/58/56/449255856.db2.gz IQCDSTODEVVDIC-GFCCVEGCSA-N 1 0 331.376 1.797 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593410192 449270178 /nfs/dbraw/zinc/27/01/78/449270178.db2.gz LGMWYGJJVUUPAF-UHFFFAOYSA-N 1 0 327.356 1.361 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000602002158 449270190 /nfs/dbraw/zinc/27/01/90/449270190.db2.gz QHRYSCHGNLQUJW-LBPRGKRZSA-N 1 0 328.390 1.660 20 5 EDBDRO CN(CC[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000593515369 449318772 /nfs/dbraw/zinc/31/87/72/449318772.db2.gz GRHZXYAHEBDDSX-UHFFFAOYSA-N 1 0 342.421 1.164 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000598266412 449324179 /nfs/dbraw/zinc/32/41/79/449324179.db2.gz XQABBGOLGRBGDF-ZDUSSCGKSA-N 1 0 337.424 1.726 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CC(C)(C)[NH3+] ZINC000595949040 449275608 /nfs/dbraw/zinc/27/56/08/449275608.db2.gz WVZPYXZDNXLKAO-JTQLQIEISA-N 1 0 326.401 1.023 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cnccc2C(F)(F)F)c1 ZINC000596070179 449347316 /nfs/dbraw/zinc/34/73/16/449347316.db2.gz PFDSECANAZYVNM-NSHDSACASA-N 1 0 345.281 1.356 20 5 EDBDRO CC(C)(NC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000602112448 449355217 /nfs/dbraw/zinc/35/52/17/449355217.db2.gz HULLVSNRSZKDLF-CABCVRRESA-N 1 0 333.388 1.809 20 5 EDBDRO C[NH+]1CCN(c2ncccc2CNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596092871 449359572 /nfs/dbraw/zinc/35/95/72/449359572.db2.gz PNSISQSAIYGOMB-UHFFFAOYSA-N 1 0 344.375 1.454 20 5 EDBDRO Cn1cc(C[NH2+]C[C@H]2CCCNC2=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590971932 449364900 /nfs/dbraw/zinc/36/49/00/449364900.db2.gz XNDZYNMLPHATEL-CYBMUJFWSA-N 1 0 343.387 1.611 20 5 EDBDRO C[NH+]1CCC(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593538357 449333844 /nfs/dbraw/zinc/33/38/44/449333844.db2.gz LYNMXZAXPPQKES-UHFFFAOYSA-N 1 0 328.394 1.000 20 5 EDBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594228820 449400555 /nfs/dbraw/zinc/40/05/55/449400555.db2.gz FPVNFBNMRQVLFL-KBPBESRZSA-N 1 0 336.396 1.107 20 5 EDBDRO C[C@H](C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000598450913 449401355 /nfs/dbraw/zinc/40/13/55/449401355.db2.gz JZLWSXAEIDFWKV-GUYCJALGSA-N 1 0 347.415 1.756 20 5 EDBDRO C[C@H]1C[N@H+](CCCNc2c(Cl)cncc2[N+](=O)[O-])CCCO1 ZINC000596207353 449413957 /nfs/dbraw/zinc/41/39/57/449413957.db2.gz DHEQMRIALHFLPY-NSHDSACASA-N 1 0 328.800 1.978 20 5 EDBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CCO1 ZINC000598542543 449456446 /nfs/dbraw/zinc/45/64/46/449456446.db2.gz XNLVXRRABGLMQY-GFCCVEGCSA-N 1 0 336.392 1.360 20 5 EDBDRO C[C@H](CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000598593083 449480970 /nfs/dbraw/zinc/48/09/70/449480970.db2.gz PHPJZCVDPJPOMO-LLVKDONJSA-N 1 0 336.396 1.116 20 5 EDBDRO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000598511897 449435561 /nfs/dbraw/zinc/43/55/61/449435561.db2.gz ULGSYPOWODTKFS-CQSZACIVSA-N 1 0 342.355 1.700 20 5 EDBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCCC[C@@H]1CCC[NH2+]1 ZINC000598665240 449527055 /nfs/dbraw/zinc/52/70/55/449527055.db2.gz NLNZVUSMRNONSL-LBPRGKRZSA-N 1 0 349.391 1.365 20 5 EDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1ccc(-n3cncn3)c([N+](=O)[O-])c1)C2 ZINC000598668081 449530042 /nfs/dbraw/zinc/53/00/42/449530042.db2.gz PMGPPTRKFUHUJW-MLGOLLRUSA-N 1 0 342.359 1.129 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCN2C2CCCC2)c1 ZINC000600755337 449534914 /nfs/dbraw/zinc/53/49/14/449534914.db2.gz JKRHCCZYBQVXND-SJORKVTESA-N 1 0 349.431 1.941 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCN2C2CCCC2)c1 ZINC000600755328 449535505 /nfs/dbraw/zinc/53/55/05/449535505.db2.gz JKRHCCZYBQVXND-DLBZAZTESA-N 1 0 349.431 1.941 20 5 EDBDRO CCC[N@@H+]1CC[C@H](Nc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])C1 ZINC000596515996 449537449 /nfs/dbraw/zinc/53/74/49/449537449.db2.gz BKAHAGAZLRMVOZ-NSHDSACASA-N 1 0 342.421 1.399 20 5 EDBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)c21 ZINC000596538458 449546045 /nfs/dbraw/zinc/54/60/45/449546045.db2.gz KYPWILMNZGHBGV-CYBMUJFWSA-N 1 0 343.387 1.573 20 5 EDBDRO CN(CCC[NH+](C)C)CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000596425179 449495604 /nfs/dbraw/zinc/49/56/04/449495604.db2.gz OKZPLHSXOZDLRL-UHFFFAOYSA-N 1 0 338.437 1.895 20 5 EDBDRO CN(CCC[NH+](C)C)CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000596425663 449497440 /nfs/dbraw/zinc/49/74/40/449497440.db2.gz UCZCTYZSGPARRW-UHFFFAOYSA-N 1 0 331.420 2.438 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[NH+]1CCC(OC)CC1 ZINC000617353056 449572114 /nfs/dbraw/zinc/57/21/14/449572114.db2.gz PFRNNZPATGCSIG-UHFFFAOYSA-N 1 0 337.376 1.444 20 5 EDBDRO CC(C)Oc1cc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000600808764 449555926 /nfs/dbraw/zinc/55/59/26/449555926.db2.gz PUJQPQCAFUHOOH-ZDUSSCGKSA-N 1 0 337.376 1.178 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596570462 449557043 /nfs/dbraw/zinc/55/70/43/449557043.db2.gz LXFUMDNWXPHGCM-LBPRGKRZSA-N 1 0 333.392 1.623 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598718478 449561684 /nfs/dbraw/zinc/56/16/84/449561684.db2.gz FKSZIHSGLULGMZ-YGRLFVJLSA-N 1 0 341.389 1.105 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598723523 449564055 /nfs/dbraw/zinc/56/40/55/449564055.db2.gz IYIVSUQFWXQSIU-IUODEOHRSA-N 1 0 339.417 1.714 20 5 EDBDRO CCc1nn(C)c(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000594601617 449590651 /nfs/dbraw/zinc/59/06/51/449590651.db2.gz YGUUQWLWHVGVIL-CYBMUJFWSA-N 1 0 337.424 1.582 20 5 EDBDRO [NH3+]CCCCCn1cc(CNC(=O)Nc2ccccc2[N+](=O)[O-])nn1 ZINC000594652192 449608023 /nfs/dbraw/zinc/60/80/23/449608023.db2.gz PLHHRPRANLGWMJ-UHFFFAOYSA-N 1 0 347.379 1.637 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000602545236 449665241 /nfs/dbraw/zinc/66/52/41/449665241.db2.gz VVPIDVITGBTXPR-UONOGXRCSA-N 1 0 348.403 1.302 20 5 EDBDRO C[NH2+]CCOCCN(C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000602549458 449667878 /nfs/dbraw/zinc/66/78/78/449667878.db2.gz WEBIRDKRGBBRHE-GFCCVEGCSA-N 1 0 341.433 1.770 20 5 EDBDRO C[C@@H](CC[S@@](C)=O)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602571625 449680922 /nfs/dbraw/zinc/68/09/22/449680922.db2.gz WPBYCIFZBVPUCQ-DAOPMYJZSA-N 1 0 340.449 1.705 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCc1cccc2c1CC[NH2+]C2 ZINC000602584373 449686378 /nfs/dbraw/zinc/68/63/78/449686378.db2.gz AGSTXILPDGGRHD-UHFFFAOYSA-N 1 0 341.367 1.936 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598896889 449635913 /nfs/dbraw/zinc/63/59/13/449635913.db2.gz QZWIIIVQSKAUBH-AWEZNQCLSA-N 1 0 349.391 1.269 20 5 EDBDRO O=[N+]([O-])c1ccsc1N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000612449950 449711148 /nfs/dbraw/zinc/71/11/48/449711148.db2.gz RGJKNEKCACOYAR-UHFFFAOYSA-N 1 0 327.406 1.320 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000599085511 449723481 /nfs/dbraw/zinc/72/34/81/449723481.db2.gz SJQQNNZRSXZNPY-USXIJHARSA-N 1 0 333.432 1.962 20 5 EDBDRO COc1ccc(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000594816232 449725359 /nfs/dbraw/zinc/72/53/59/449725359.db2.gz FQSDIMFEOBPFEB-SNVBAGLBSA-N 1 0 331.394 1.222 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000599099393 449730977 /nfs/dbraw/zinc/73/09/77/449730977.db2.gz CGABSYLIQUSQTK-WDEREUQCSA-N 1 0 329.378 1.022 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(C)C)c1C ZINC000599100828 449731434 /nfs/dbraw/zinc/73/14/34/449731434.db2.gz IDAPAPDSEIYGRO-AWEZNQCLSA-N 1 0 341.433 1.830 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000599104047 449735454 /nfs/dbraw/zinc/73/54/54/449735454.db2.gz LFLBNBKOFORFNI-ZYHUDNBSSA-N 1 0 327.406 1.630 20 5 EDBDRO COc1ccc(CSCC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000602594718 449693567 /nfs/dbraw/zinc/69/35/67/449693567.db2.gz CMXWUSSPWPAMQZ-JQWIXIFHSA-N 1 0 339.417 1.785 20 5 EDBDRO CC[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CO1 ZINC000594921230 449807145 /nfs/dbraw/zinc/80/71/45/449807145.db2.gz GTKWQZTZXOFYMS-NEPJUHHUSA-N 1 0 343.405 1.030 20 5 EDBDRO CS[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000602809327 449824300 /nfs/dbraw/zinc/82/43/00/449824300.db2.gz PQDAGONOEJOCEK-STQMWFEESA-N 1 0 325.438 1.340 20 5 EDBDRO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H](O)CC3(O)CCC3)CC2)c1 ZINC000599262422 449841845 /nfs/dbraw/zinc/84/18/45/449841845.db2.gz FIFZRDPMVREFSE-MRXNPFEDSA-N 1 0 335.404 1.383 20 5 EDBDRO CC[NH+](CC)CCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000601279833 449794081 /nfs/dbraw/zinc/79/40/81/449794081.db2.gz BLNLPUPZVHTJLQ-UHFFFAOYSA-N 1 0 333.385 1.662 20 5 EDBDRO CCN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CC[N@H+](C)C1 ZINC000595110177 449873924 /nfs/dbraw/zinc/87/39/24/449873924.db2.gz JAPOAONVEYPUDM-CYBMUJFWSA-N 1 0 334.376 1.394 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])s1 ZINC000601419513 449936516 /nfs/dbraw/zinc/93/65/16/449936516.db2.gz MPZIVLQZGIDXRL-CYBMUJFWSA-N 1 0 345.446 1.681 20 5 EDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000602954992 449956736 /nfs/dbraw/zinc/95/67/36/449956736.db2.gz XEWCUUHMVCFARL-CHWSQXEVSA-N 1 0 333.392 1.668 20 5 EDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000602959774 449960316 /nfs/dbraw/zinc/96/03/16/449960316.db2.gz GPGFGKVRNISOAH-OLZOCXBDSA-N 1 0 333.392 1.811 20 5 EDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCC12CC(C1)C[NH2+]2 ZINC000595261815 449984358 /nfs/dbraw/zinc/98/43/58/449984358.db2.gz FIGCRJRLEHSTGA-UHFFFAOYSA-N 1 0 332.404 1.969 20 5 EDBDRO C[C@@H]1C[N@@H+](CCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000595291824 450006941 /nfs/dbraw/zinc/00/69/41/450006941.db2.gz VARDGWUAKBMIQR-IYBDPMFKSA-N 1 0 348.447 1.826 20 5 EDBDRO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601506997 450029268 /nfs/dbraw/zinc/02/92/68/450029268.db2.gz BOLLJTAWHKGSRD-LLVKDONJSA-N 1 0 339.367 1.651 20 5 EDBDRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595382140 450096857 /nfs/dbraw/zinc/09/68/57/450096857.db2.gz QVOVYZHIMKTOJY-UHFFFAOYSA-N 1 0 329.422 1.994 20 5 EDBDRO C[NH2+]CCOCCN(C)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000599605430 450098587 /nfs/dbraw/zinc/09/85/87/450098587.db2.gz VYKBCSYKCHVGLF-UHFFFAOYSA-N 1 0 326.353 1.303 20 5 EDBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000599626436 450114015 /nfs/dbraw/zinc/11/40/15/450114015.db2.gz VWPYAWKRRVKDGX-UUIJZJDISA-N 1 0 342.417 1.770 20 5 EDBDRO O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595461892 450157800 /nfs/dbraw/zinc/15/78/00/450157800.db2.gz QKHSUJXOOVNXIA-YUELXQCFSA-N 1 0 347.419 1.876 20 5 EDBDRO COc1ccc(OCCn2cc(CC[NH+](C)C)nn2)c([N+](=O)[O-])c1 ZINC000603229758 450159964 /nfs/dbraw/zinc/15/99/64/450159964.db2.gz NVNZCSMTNHMSBE-UHFFFAOYSA-N 1 0 335.364 1.378 20 5 EDBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)C[NH+](C)C ZINC000597653165 450173404 /nfs/dbraw/zinc/17/34/04/450173404.db2.gz HLUWLICLBJKYTQ-NSHDSACASA-N 1 0 341.433 1.749 20 5 EDBDRO C[N@@H+]1CCC[C@@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000618366885 450175397 /nfs/dbraw/zinc/17/53/97/450175397.db2.gz WTBOMZDFHJMGJN-SNVBAGLBSA-N 1 0 332.364 1.365 20 5 EDBDRO COC(=O)CCN1CC[C@H]([N@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000595485085 450175593 /nfs/dbraw/zinc/17/55/93/450175593.db2.gz RANOADCPLLGFCI-HNNXBMFYSA-N 1 0 349.387 1.233 20 5 EDBDRO C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000601645063 450137498 /nfs/dbraw/zinc/13/74/98/450137498.db2.gz WGCAWJDHWXEQQM-XJKSGUPXSA-N 1 0 335.404 1.661 20 5 EDBDRO C[NH+]1CCC2(CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)C2)CC1 ZINC000597668831 450181612 /nfs/dbraw/zinc/18/16/12/450181612.db2.gz YKIABSDSZDAYIA-UHFFFAOYSA-N 1 0 347.371 1.881 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595501345 450190111 /nfs/dbraw/zinc/19/01/11/450190111.db2.gz OKZIVLJSLBMFBO-CYBMUJFWSA-N 1 0 336.392 1.757 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)nc2c1 ZINC000618584711 450252909 /nfs/dbraw/zinc/25/29/09/450252909.db2.gz HFPWOVDQBVEURB-GJZGRUSLSA-N 1 0 331.376 1.507 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000610929443 450382724 /nfs/dbraw/zinc/38/27/24/450382724.db2.gz NKFKOQXWUKCBDH-WCQYABFASA-N 1 0 326.784 1.679 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@H+](C)C(C)C ZINC000619498522 450492710 /nfs/dbraw/zinc/49/27/10/450492710.db2.gz UMQJWMWDSKSENA-UHFFFAOYSA-N 1 0 331.394 1.222 20 5 EDBDRO COc1ccc(CSCC(=O)N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000132234178 533730810 /nfs/dbraw/zinc/73/08/10/533730810.db2.gz OOFKDTOOQUYSPZ-LLVKDONJSA-N 1 0 325.390 1.396 20 5 EDBDRO CC(C)(C(=O)N1CCC(C[NH+]2CCCC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000331803604 535010602 /nfs/dbraw/zinc/01/06/02/535010602.db2.gz CGPMVLAWEFNKIG-UHFFFAOYSA-N 1 0 349.435 1.861 20 5 EDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000236887860 535355905 /nfs/dbraw/zinc/35/59/05/535355905.db2.gz UARORHXWZKBGSL-LBPRGKRZSA-N 1 0 332.364 1.423 20 5 EDBDRO CCOC1CC([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000271810403 535760597 /nfs/dbraw/zinc/76/05/97/535760597.db2.gz NDPGLNXEOFLRHE-UHFFFAOYSA-N 1 0 343.405 1.030 20 5 EDBDRO C[NH+](C)CCSCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000339742529 535920177 /nfs/dbraw/zinc/92/01/77/535920177.db2.gz MJPNYPINZTWUMV-UHFFFAOYSA-N 1 0 327.362 1.557 20 5 EDBDRO C[NH2+][C@@H](C)Cc1noc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000261879438 536348755 /nfs/dbraw/zinc/34/87/55/536348755.db2.gz WCZVGMCXPYNORD-JTQLQIEISA-N 1 0 333.348 1.101 20 5 EDBDRO C[NH2+][C@@H](C)Cc1noc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000261612538 536350473 /nfs/dbraw/zinc/35/04/73/536350473.db2.gz AYFXMGGSVMAMDL-VHSXEESVSA-N 1 0 349.347 1.699 20 5 EDBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000264927797 536409042 /nfs/dbraw/zinc/40/90/42/536409042.db2.gz OCDPBKMTKJFBIT-NSHDSACASA-N 1 0 326.784 1.224 20 5 EDBDRO C[N@@H+]1CC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@H]1c1ccccc1 ZINC000248141005 536454379 /nfs/dbraw/zinc/45/43/79/536454379.db2.gz YNFBDPZFJRCWIV-CZUORRHYSA-N 1 0 329.360 1.353 20 5 EDBDRO COC(=O)c1cc(NC(=O)C2(OC)CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000262629096 536528247 /nfs/dbraw/zinc/52/82/47/536528247.db2.gz VGRZLUKZRJSLGR-UHFFFAOYSA-N 1 0 337.332 1.089 20 5 EDBDRO COC(=O)c1cc(NC[C@](C)(O)C[NH+](C)C)cc(C)c1[N+](=O)[O-] ZINC000269837882 536565682 /nfs/dbraw/zinc/56/56/82/536565682.db2.gz GXJAIKVHUMECIQ-HNNXBMFYSA-N 1 0 325.365 1.414 20 5 EDBDRO COC(=O)[C@H](C)C[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000247111511 536605846 /nfs/dbraw/zinc/60/58/46/536605846.db2.gz YCNNTYYAGHGGRG-RISCZKNCSA-N 1 0 335.360 1.441 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271702254 536789459 /nfs/dbraw/zinc/78/94/59/536789459.db2.gz NSZHBLFOEJWKLY-CYBMUJFWSA-N 1 0 338.408 1.923 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000237189834 536950617 /nfs/dbraw/zinc/95/06/17/536950617.db2.gz BBYZGERZXZDZFU-UHFFFAOYSA-N 1 0 337.376 1.573 20 5 EDBDRO CN1CC[NH+](CCCCNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000729316949 578563587 /nfs/dbraw/zinc/56/35/87/578563587.db2.gz PQFBTPSLSRQWIC-UHFFFAOYSA-N 1 0 338.383 1.491 20 5 EDBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729497532 578577748 /nfs/dbraw/zinc/57/77/48/578577748.db2.gz PSROOJGULFVAFN-UONOGXRCSA-N 1 0 334.376 1.257 20 5 EDBDRO NC(=O)Cc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000731678044 578678505 /nfs/dbraw/zinc/67/85/05/578678505.db2.gz FTXZZLTZCOYCOR-INIZCTEOSA-N 1 0 329.356 1.446 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000761068213 580046032 /nfs/dbraw/zinc/04/60/32/580046032.db2.gz HTECLESXKDGFFK-GFCCVEGCSA-N 1 0 336.392 1.568 20 5 EDBDRO CC[C@@H](C(=O)OCCn1cc([N+](=O)[O-])ccc1=O)[NH+](CC)CC ZINC000761403856 580056724 /nfs/dbraw/zinc/05/67/24/580056724.db2.gz MVXBYZCBCRVBRJ-ZDUSSCGKSA-N 1 0 325.365 1.420 20 5 EDBDRO COC[C@@H]1CCN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000739868920 579261766 /nfs/dbraw/zinc/26/17/66/579261766.db2.gz HAEIYUBTVMLJRV-GFCCVEGCSA-N 1 0 348.359 1.289 20 5 EDBDRO Cc1nn(C)c(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000777522381 580443256 /nfs/dbraw/zinc/44/32/56/580443256.db2.gz VGAPYMRVLRLZGN-UHFFFAOYSA-N 1 0 345.403 1.971 20 5 EDBDRO CC(C)N(CC[NH+](C)C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000749019197 579710426 /nfs/dbraw/zinc/71/04/26/579710426.db2.gz LQROMYYJGHGQNG-UHFFFAOYSA-N 1 0 333.392 1.743 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCn3ccnn3)CC2)cc1 ZINC000753587483 579883232 /nfs/dbraw/zinc/88/32/32/579883232.db2.gz OOWCIZDNZILVTF-UHFFFAOYSA-N 1 0 330.392 1.835 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000755623550 579931134 /nfs/dbraw/zinc/93/11/34/579931134.db2.gz QGHLEZNUMCOQRI-WYMLVPIESA-N 1 0 347.415 1.913 20 5 EDBDRO Cc1nn(C[NH+]2CCC3(CNC(=O)C3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000765055482 580134183 /nfs/dbraw/zinc/13/41/83/580134183.db2.gz JIALFIFAJVJLFI-UHFFFAOYSA-N 1 0 343.387 1.813 20 5 EDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)cs1 ZINC000768807977 580220825 /nfs/dbraw/zinc/22/08/25/580220825.db2.gz BDQDSSMHILXPEA-NSHDSACASA-N 1 0 345.446 1.905 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768841345 580221980 /nfs/dbraw/zinc/22/19/80/580221980.db2.gz GACROTXMGFGLRK-MWLCHTKSSA-N 1 0 333.435 1.617 20 5 EDBDRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000770174172 580254976 /nfs/dbraw/zinc/25/49/76/580254976.db2.gz SPSKDLBRDGVIEI-GFCCVEGCSA-N 1 0 338.383 1.490 20 5 EDBDRO O=C1CCCN1[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582416 580422201 /nfs/dbraw/zinc/42/22/01/580422201.db2.gz QAAKEBAZOCVMNY-JKSUJKDBSA-N 1 0 333.388 1.715 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@@H+]1C ZINC000781989265 580562698 /nfs/dbraw/zinc/56/26/98/580562698.db2.gz FZINRLKRJFMQSB-BFQNTYOBSA-N 1 0 346.387 1.687 20 5 EDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000783921072 580608429 /nfs/dbraw/zinc/60/84/29/580608429.db2.gz QTXPGSAWAAMXEH-ZDUSSCGKSA-N 1 0 343.387 1.995 20 5 EDBDRO C[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788662199 580727417 /nfs/dbraw/zinc/72/74/17/580727417.db2.gz BZTAPTULIJAOBT-XHDPSFHLSA-N 1 0 348.403 1.608 20 5 EDBDRO COc1cc(C(=O)OCCC[N@@H+]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000893388890 590828819 /nfs/dbraw/zinc/82/88/19/590828819.db2.gz IPNXKGIIULWFRE-LBPRGKRZSA-N 1 0 338.360 1.871 20 5 EDBDRO COCC[N@@H+]1CC[C@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000892414409 591018483 /nfs/dbraw/zinc/01/84/83/591018483.db2.gz UVVZDTPEPVEMCU-LBPRGKRZSA-N 1 0 346.387 1.579 20 5 EDBDRO CN1CC[N@H+](C)C[C@H]1CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC000892469078 591038771 /nfs/dbraw/zinc/03/87/71/591038771.db2.gz WDNPOQDYWKLINU-LLVKDONJSA-N 1 0 349.822 1.876 20 5 EDBDRO Cc1ccc(NCCCNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c([N+](=O)[O-])c1 ZINC000891589853 591138063 /nfs/dbraw/zinc/13/80/63/591138063.db2.gz SPNMUUGQJBOWDQ-STQMWFEESA-N 1 0 333.392 1.461 20 5 EDBDRO C[C@@H]1[C@H](Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000895739152 591262360 /nfs/dbraw/zinc/26/23/60/591262360.db2.gz BWBCVKNNWXVPEM-TZMCWYRMSA-N 1 0 348.403 1.572 20 5 EDBDRO CCOc1cc(C(=O)N2CC([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000898614778 591440881 /nfs/dbraw/zinc/44/08/81/591440881.db2.gz UHYPWGGUOQRUQW-UHFFFAOYSA-N 1 0 349.387 1.922 20 5 EDBDRO C[C@@H](C[NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000897466218 591467883 /nfs/dbraw/zinc/46/78/83/591467883.db2.gz PWBKEIIEHOSPIE-LBPRGKRZSA-N 1 0 341.433 1.712 20 5 EDBDRO C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H]1C[N@H+](C)CCN1C ZINC000896567865 591529613 /nfs/dbraw/zinc/52/96/13/591529613.db2.gz ITYGQMNIEZWFDW-ABAIWWIYSA-N 1 0 345.403 1.440 20 5 EDBDRO COc1cc([N+](=O)[O-])cnc1N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000895035495 591530962 /nfs/dbraw/zinc/53/09/62/591530962.db2.gz MAIDVPYUZGWXMM-UHFFFAOYSA-N 1 0 336.392 1.547 20 5 EDBDRO CNc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000896582717 591541397 /nfs/dbraw/zinc/54/13/97/591541397.db2.gz YHEOOJBMNUQLBU-ABAIWWIYSA-N 1 0 335.408 1.001 20 5 EDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000897832268 591689434 /nfs/dbraw/zinc/68/94/34/591689434.db2.gz NIUDMTLDLVOGHA-ALCCZGGFSA-N 1 0 339.417 1.623 20 5 EDBDRO O=c1c([N+](=O)[O-])cc(Br)cn1C[C@H]1CCCC[NH2+]C1 ZINC000899629327 591878771 /nfs/dbraw/zinc/87/87/71/591878771.db2.gz IDHWMZLIHVZOCE-VIFPVBQESA-N 1 0 330.182 1.909 20 5 EDBDRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000900476228 592035815 /nfs/dbraw/zinc/03/58/15/592035815.db2.gz CYFALXUMSCQFHG-JFUSQASVSA-N 1 0 327.287 1.576 20 5 EDBDRO COc1cc([C@H](C)[NH2+][C@H]2CCc3c(nnn3C)C2)cc([N+](=O)[O-])c1 ZINC000903197201 592133986 /nfs/dbraw/zinc/13/39/86/592133986.db2.gz WNBVLEONVRCRTC-JQWIXIFHSA-N 1 0 331.376 1.940 20 5 EDBDRO C[C@@H](C[NH2+][C@H]1C(=O)NCC12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000903244685 592143637 /nfs/dbraw/zinc/14/36/37/592143637.db2.gz BCNTXZWTQAFQAS-WFASDCNBSA-N 1 0 333.388 1.583 20 5 EDBDRO COCC[C@@H]1C[NH2+]CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000903830641 592336016 /nfs/dbraw/zinc/33/60/16/592336016.db2.gz HDZJHUPHVAUABW-CYBMUJFWSA-N 1 0 336.392 1.234 20 5 EDBDRO COC[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000903875928 592356314 /nfs/dbraw/zinc/35/63/14/592356314.db2.gz UBKHESDNZXSNSX-NSHDSACASA-N 1 0 342.783 1.107 20 5 EDBDRO C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000907193684 592552994 /nfs/dbraw/zinc/55/29/94/592552994.db2.gz SFSFCTBSHKTWPG-DTWKUNHWSA-N 1 0 326.784 1.995 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCSC3(CCC3)C2)c1 ZINC000905599736 592587195 /nfs/dbraw/zinc/58/71/95/592587195.db2.gz AXLPNYNPMLETMC-WCQYABFASA-N 1 0 326.422 1.560 20 5 EDBDRO CCNc1ccc(C(=O)NC[C@H](C[NH+](C)C)OCC)cc1[N+](=O)[O-] ZINC000906372074 592807645 /nfs/dbraw/zinc/80/76/45/592807645.db2.gz BBURGXNVPMQXFY-CYBMUJFWSA-N 1 0 338.408 1.723 20 5 EDBDRO CC1(C)C[NH2+]CCN1C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000911844419 593025012 /nfs/dbraw/zinc/02/50/12/593025012.db2.gz FYOYJZIQAHDHHG-CQSZACIVSA-N 1 0 332.360 1.298 20 5 EDBDRO C[NH+]1CCC(N(CCO)C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000911935577 593039258 /nfs/dbraw/zinc/03/92/58/593039258.db2.gz WNSXFZLZMNXUFW-UHFFFAOYSA-N 1 0 325.340 1.263 20 5 EDBDRO C[NH+]1CCC(N(CCO)C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000911938619 593039915 /nfs/dbraw/zinc/03/99/15/593039915.db2.gz JMMOHQKCECCYCW-UHFFFAOYSA-N 1 0 325.340 1.263 20 5 EDBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736856581 593042753 /nfs/dbraw/zinc/04/27/53/593042753.db2.gz KRSQZSZFFAZACO-NSHDSACASA-N 1 0 331.380 1.553 20 5 EDBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000808783003 593287882 /nfs/dbraw/zinc/28/78/82/593287882.db2.gz HSGXROROEOARFD-XOYOTBSWSA-N 1 0 347.415 1.865 20 5 EDBDRO NC(=O)c1ccnc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000811726334 593477103 /nfs/dbraw/zinc/47/71/03/593477103.db2.gz YXTHDPXUEAWAQB-GFCCVEGCSA-N 1 0 349.391 1.144 20 5 EDBDRO CN(CC(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000812320478 593496100 /nfs/dbraw/zinc/49/61/00/593496100.db2.gz FWUAKGBDHZEVSK-UONOGXRCSA-N 1 0 332.404 1.441 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)[C@H]2C1 ZINC000816953587 593563158 /nfs/dbraw/zinc/56/31/58/593563158.db2.gz JYCOWTZEHXAEKE-PELKAZGASA-N 1 0 333.373 1.376 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000817490675 593607484 /nfs/dbraw/zinc/60/74/84/593607484.db2.gz IEFZGTKSAQFGAF-CQSZACIVSA-N 1 0 331.376 1.497 20 5 EDBDRO Cc1c(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000817490539 593607596 /nfs/dbraw/zinc/60/75/96/593607596.db2.gz RGJJRWYMTQNMGN-NSHDSACASA-N 1 0 336.348 1.978 20 5 EDBDRO CC(C)(C)[S@@](=O)CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819056164 593736144 /nfs/dbraw/zinc/73/61/44/593736144.db2.gz JDNYTURPIUDGRP-MYODQAERSA-N 1 0 344.433 1.471 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)CNC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000819083798 593737814 /nfs/dbraw/zinc/73/78/14/593737814.db2.gz FXUGBPXRWAUCIP-RDTXWAMCSA-N 1 0 349.431 1.719 20 5 EDBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000819230385 593745793 /nfs/dbraw/zinc/74/57/93/593745793.db2.gz VCVYHDJLFHMLQP-NXOAAHMSSA-N 1 0 336.388 1.944 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000819718636 593764970 /nfs/dbraw/zinc/76/49/70/593764970.db2.gz GKJFUGDRHPGIRS-TVQRCGJNSA-N 1 0 347.400 1.766 20 5 EDBDRO COCC(C)(C)[NH+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000819942721 593778522 /nfs/dbraw/zinc/77/85/22/593778522.db2.gz JPELOLSVGWPPLL-UHFFFAOYSA-N 1 0 333.392 1.790 20 5 EDBDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1F ZINC000823728328 593843710 /nfs/dbraw/zinc/84/37/10/593843710.db2.gz XATUBZBEJABFGA-LBPRGKRZSA-N 1 0 325.340 1.311 20 5 EDBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821598980 593875860 /nfs/dbraw/zinc/87/58/60/593875860.db2.gz ATSDNSOACCGONS-LLVKDONJSA-N 1 0 346.395 1.481 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC[C@H]21 ZINC000821625819 593886765 /nfs/dbraw/zinc/88/67/65/593886765.db2.gz WIZOXIONODADRH-CMPLNLGQSA-N 1 0 344.379 1.090 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000822483364 594055487 /nfs/dbraw/zinc/05/54/87/594055487.db2.gz BKTXQGACOVIZMH-KRWDZBQOSA-N 1 0 335.404 1.740 20 5 EDBDRO O=[N+]([O-])c1cnc(NCCC[NH+]2CCCCC2)c(-c2nn[nH]n2)c1 ZINC000823651945 594224820 /nfs/dbraw/zinc/22/48/20/594224820.db2.gz SJIVPJIXDNVUCR-UHFFFAOYSA-N 1 0 332.368 1.458 20 5 EDBDRO C[NH+]1CCC([C@H]2CCN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000827714019 594263871 /nfs/dbraw/zinc/26/38/71/594263871.db2.gz RJUURUGTDBUHJS-RDJZCZTQSA-N 1 0 347.415 1.819 20 5 EDBDRO CCO[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C[NH+](C)C ZINC000831770607 594701446 /nfs/dbraw/zinc/70/14/46/594701446.db2.gz AVQFCMPRJMRXFC-CYBMUJFWSA-N 1 0 338.408 1.357 20 5 EDBDRO CN(C)C(=O)N[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000832549339 594758352 /nfs/dbraw/zinc/75/83/52/594758352.db2.gz BSCRFGKLTZYJLI-ZFWWWQNUSA-N 1 0 336.392 1.364 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000841011732 594838970 /nfs/dbraw/zinc/83/89/70/594838970.db2.gz SWIRYSDJQVHZGQ-PRHODGIISA-N 1 0 328.756 1.828 20 5 EDBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841104540 594851717 /nfs/dbraw/zinc/85/17/17/594851717.db2.gz YEIBNZVJIIJSOM-JTQLQIEISA-N 1 0 328.756 1.748 20 5 EDBDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000841173020 594863278 /nfs/dbraw/zinc/86/32/78/594863278.db2.gz GRURNAWSZAPMCV-MRVPVSSYSA-N 1 0 326.740 1.007 20 5 EDBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000833565814 594875479 /nfs/dbraw/zinc/87/54/79/594875479.db2.gz MFJVYNLYYBUEHJ-LBPRGKRZSA-N 1 0 341.795 1.825 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000842011619 595002289 /nfs/dbraw/zinc/00/22/89/595002289.db2.gz VDUWCWZBWQJLIK-ZIAGYGMSSA-N 1 0 347.419 1.554 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000843356366 595085922 /nfs/dbraw/zinc/08/59/22/595085922.db2.gz VPTCAEIUPXNQBS-RNCFNFMXSA-N 1 0 342.783 1.235 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000843454452 595116436 /nfs/dbraw/zinc/11/64/36/595116436.db2.gz AXCXSSCZHOEIFI-JTQLQIEISA-N 1 0 327.344 1.640 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc([N+](=O)[O-])c1F ZINC000842480270 595117054 /nfs/dbraw/zinc/11/70/54/595117054.db2.gz SJJGCUWKOHYBAZ-SKDRFNHKSA-N 1 0 329.353 1.025 20 5 EDBDRO C[NH2+]C[C@H](C)c1noc(-c2cc([N+](=O)[O-])ccc2N2CCOCC2)n1 ZINC000842576646 595131475 /nfs/dbraw/zinc/13/14/75/595131475.db2.gz HQVVGUCETZTFOE-NSHDSACASA-N 1 0 347.375 1.804 20 5 EDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000843503242 595133782 /nfs/dbraw/zinc/13/37/82/595133782.db2.gz JDAOKCNTQIXYJZ-RYUDHWBXSA-N 1 0 336.392 1.287 20 5 EDBDRO C[NH+]1CC2(C1)CCN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C2 ZINC000834525836 595154748 /nfs/dbraw/zinc/15/47/48/595154748.db2.gz DKDOXGJTWXDLDW-UHFFFAOYSA-N 1 0 325.315 1.851 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000834563473 595163089 /nfs/dbraw/zinc/16/30/89/595163089.db2.gz CDLTWHGKQOBZFM-HNNXBMFYSA-N 1 0 341.795 1.777 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC[NH2+]1 ZINC000834677570 595188528 /nfs/dbraw/zinc/18/85/28/595188528.db2.gz LMZLSUYMONNZHZ-OLZOCXBDSA-N 1 0 348.403 1.302 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CC2(CC([NH3+])C2)C1 ZINC000842798113 595203098 /nfs/dbraw/zinc/20/30/98/595203098.db2.gz QBVJBTGMHWPSRQ-UHFFFAOYSA-N 1 0 341.389 1.152 20 5 EDBDRO C[NH+]1CCC2(CC1)CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000844094507 595270422 /nfs/dbraw/zinc/27/04/22/595270422.db2.gz CCIIDGWDYYQINC-QPJJXVBHSA-N 1 0 345.399 1.931 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CCO1 ZINC000843057077 595276482 /nfs/dbraw/zinc/27/64/82/595276482.db2.gz FZVXXGMBNUNKPK-ZANVPECISA-N 1 0 344.209 1.905 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H](O)c2ccsc2)c1 ZINC000843081318 595282326 /nfs/dbraw/zinc/28/23/26/595282326.db2.gz BEOGQCVODQZQHG-DZGCQCFKSA-N 1 0 338.385 1.719 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2COc3ccccc3[C@H]2O)c1 ZINC000843117595 595290939 /nfs/dbraw/zinc/29/09/39/595290939.db2.gz QZFSBENLLAPGGC-BFYDXBDKSA-N 1 0 330.340 1.712 20 5 EDBDRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843123647 595292332 /nfs/dbraw/zinc/29/23/32/595292332.db2.gz MECDYBFPCUIFTK-CYBMUJFWSA-N 1 0 327.768 1.585 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000846652291 595293774 /nfs/dbraw/zinc/29/37/74/595293774.db2.gz MGFZKXUMLXQKIA-CZUORRHYSA-N 1 0 326.356 1.549 20 5 EDBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000846910971 595336437 /nfs/dbraw/zinc/33/64/37/595336437.db2.gz FXJQSXAWBIMPTF-RDTXWAMCSA-N 1 0 349.431 1.813 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848490276 595394654 /nfs/dbraw/zinc/39/46/54/595394654.db2.gz YITQRSBDYWBDJW-SJORKVTESA-N 1 0 346.431 1.894 20 5 EDBDRO C[C@H](CNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000848590948 595411419 /nfs/dbraw/zinc/41/14/19/595411419.db2.gz REHDYPSKJFGHTD-SNVBAGLBSA-N 1 0 331.319 1.880 20 5 EDBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857763244 595598988 /nfs/dbraw/zinc/59/89/88/595598988.db2.gz RPYSFMLDTFGMIZ-LBPRGKRZSA-N 1 0 341.314 1.825 20 5 EDBDRO [NH3+]C[C@H]1CCCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857764014 595599742 /nfs/dbraw/zinc/59/97/42/595599742.db2.gz DMIYTLOWCOHHOY-SNVBAGLBSA-N 1 0 329.303 1.764 20 5 EDBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857767340 595600895 /nfs/dbraw/zinc/60/08/95/595600895.db2.gz AYCLAZPZRMFULD-NXEZZACHSA-N 1 0 329.303 1.905 20 5 EDBDRO C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000857933205 595657412 /nfs/dbraw/zinc/65/74/12/595657412.db2.gz XEBJUQLAYYONBR-AWEZNQCLSA-N 1 0 343.387 1.701 20 5 EDBDRO COc1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000858616036 595844989 /nfs/dbraw/zinc/84/49/89/595844989.db2.gz MHHXHVFVEOHVBJ-CYBMUJFWSA-N 1 0 343.405 1.222 20 5 EDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000853645991 595845212 /nfs/dbraw/zinc/84/52/12/595845212.db2.gz LARIGCIONXGOBR-CMPLNLGQSA-N 1 0 327.406 1.527 20 5 EDBDRO C[NH+](C)CC1CN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000853651656 595847058 /nfs/dbraw/zinc/84/70/58/595847058.db2.gz KBGUYQAQYQUKGN-UHFFFAOYSA-N 1 0 349.359 1.589 20 5 EDBDRO [NH3+]CC1(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000858630137 595849949 /nfs/dbraw/zinc/84/99/49/595849949.db2.gz MDJWCEIPLWPXJT-UHFFFAOYSA-N 1 0 349.796 1.034 20 5 EDBDRO CNc1c(C(=O)OC[C@]2(C)C[C@@H](OC)C[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000861347586 595954610 /nfs/dbraw/zinc/95/46/10/595954610.db2.gz KPALSUOHUVLZGQ-BZNIZROVSA-N 1 0 337.376 1.903 20 5 EDBDRO C[C@H]1CC[C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[NH2+]1 ZINC000861685859 596067833 /nfs/dbraw/zinc/06/78/33/596067833.db2.gz RPBOJRLXCQWHCY-UONOGXRCSA-N 1 0 347.419 1.567 20 5 EDBDRO C[NH+]1CCC2(CCN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000854499673 596099016 /nfs/dbraw/zinc/09/90/16/596099016.db2.gz BFUUQSSBMRBTCE-OAHLLOKOSA-N 1 0 333.388 1.573 20 5 EDBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000854570612 596123274 /nfs/dbraw/zinc/12/32/74/596123274.db2.gz RFMSAPCFGZIVFS-ZDUSSCGKSA-N 1 0 327.425 1.534 20 5 EDBDRO [NH3+][C@]12CCC[C@@H]1CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C2 ZINC000857085463 596154383 /nfs/dbraw/zinc/15/43/83/596154383.db2.gz LOQSINYZYWLVHT-BZNIZROVSA-N 1 0 336.367 1.876 20 5 EDBDRO O=C1OCCN1C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852721963 596232691 /nfs/dbraw/zinc/23/26/91/596232691.db2.gz ZPSMBEMPIOBFDW-HNNXBMFYSA-N 1 0 335.360 1.545 20 5 EDBDRO O=C(N1CCC[C@@H]2[NH2+]CC[C@H]21)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000864620927 596286705 /nfs/dbraw/zinc/28/67/05/596286705.db2.gz RYBVVMRMSCEJPK-QWHCGFSZSA-N 1 0 341.314 1.919 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866826808 596367680 /nfs/dbraw/zinc/36/76/80/596367680.db2.gz CYNZAICBNGMLMH-NWDGAFQWSA-N 1 0 325.390 1.418 20 5 EDBDRO CC(C)C[NH+]1CCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CC1 ZINC000870869094 596384243 /nfs/dbraw/zinc/38/42/43/596384243.db2.gz ZQLOTQXIHPZKOU-KRWDZBQOSA-N 1 0 334.420 1.569 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(N)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000870983942 596429057 /nfs/dbraw/zinc/42/90/57/596429057.db2.gz ZNYWWGSEGYUDSQ-VMGRFDJRSA-N 1 0 332.404 1.321 20 5 EDBDRO O=[N+]([O-])c1cc(CO)c(N2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000865415185 596567853 /nfs/dbraw/zinc/56/78/53/596567853.db2.gz HQDGKVQRXMLTQW-UHFFFAOYSA-N 1 0 332.335 1.948 20 5 EDBDRO CC[NH+]1CCN(CCNc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865437434 596574935 /nfs/dbraw/zinc/57/49/35/596574935.db2.gz LWSFJOYJIDQWAY-UHFFFAOYSA-N 1 0 326.372 1.276 20 5 EDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000869780618 596631938 /nfs/dbraw/zinc/63/19/38/596631938.db2.gz MODFQLIEJNWVCG-LBPRGKRZSA-N 1 0 341.795 1.823 20 5 EDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C2 ZINC000871674043 596667342 /nfs/dbraw/zinc/66/73/42/596667342.db2.gz TYMGBUMWXIHUCS-IINYFYTJSA-N 1 0 341.314 1.634 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)n1 ZINC000865885779 596709641 /nfs/dbraw/zinc/70/96/41/596709641.db2.gz ADCNLCYPJQKGAL-AWEZNQCLSA-N 1 0 333.392 1.405 20 5 EDBDRO C[NH+]1CCC2(CC1)CN(c1cc(F)c([N+](=O)[O-])cc1CO)CCO2 ZINC000865901682 596716316 /nfs/dbraw/zinc/71/63/16/596716316.db2.gz CTOWNNFTVZKZPL-UHFFFAOYSA-N 1 0 339.367 1.527 20 5 EDBDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000119846640 596756978 /nfs/dbraw/zinc/75/69/78/596756978.db2.gz UWPHVGCFRRFHNQ-ZJUUUORDSA-N 1 0 333.435 1.760 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000868283890 596764409 /nfs/dbraw/zinc/76/44/09/596764409.db2.gz JWJKKFLDHFFWBL-CQSZACIVSA-N 1 0 336.392 1.423 20 5 EDBDRO CNC(=O)CN1CCC([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872022701 596797503 /nfs/dbraw/zinc/79/75/03/596797503.db2.gz YPJRCAYQVGZCOJ-LLVKDONJSA-N 1 0 338.383 1.595 20 5 EDBDRO C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872020805 596797734 /nfs/dbraw/zinc/79/77/34/596797734.db2.gz LFMZNDALDRWUPV-SNVBAGLBSA-N 1 0 345.396 1.809 20 5 EDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CCO[C@@H](C)C1 ZINC000866259957 596840602 /nfs/dbraw/zinc/84/06/02/596840602.db2.gz IHVDDFWPXGYILI-OLZOCXBDSA-N 1 0 325.384 1.975 20 5 EDBDRO COCCN1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866262458 596841125 /nfs/dbraw/zinc/84/11/25/596841125.db2.gz ABAAWVNRQOBUOR-SWLSCSKDSA-N 1 0 325.384 1.975 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000874168563 596948617 /nfs/dbraw/zinc/94/86/17/596948617.db2.gz DEXYJZSDGWHLQP-IUODEOHRSA-N 1 0 346.387 1.394 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000874173136 596952528 /nfs/dbraw/zinc/95/25/28/596952528.db2.gz FTDDTPJWBSECCB-SWLSCSKDSA-N 1 0 346.387 1.394 20 5 EDBDRO CC(C)[C@H]1CN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC[N@@H+]1C ZINC000872738975 597053732 /nfs/dbraw/zinc/05/37/32/597053732.db2.gz WRVDWFULBMRRCU-OAHLLOKOSA-N 1 0 346.387 1.420 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc([N+](=O)[O-])c1 ZINC000874849283 597200699 /nfs/dbraw/zinc/20/06/99/597200699.db2.gz IVZWTAASMHJWGN-GJZGRUSLSA-N 1 0 347.371 1.690 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000873193395 597223313 /nfs/dbraw/zinc/22/33/13/597223313.db2.gz OOFDFEDXOUOJNG-RKTXRCNFSA-N 1 0 335.404 1.206 20 5 EDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1ccn(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000877377687 597505155 /nfs/dbraw/zinc/50/51/55/597505155.db2.gz UZXVTFZASOGEOW-YVEFUNNKSA-N 1 0 341.371 1.462 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC[C@H]21 ZINC000877744850 597552535 /nfs/dbraw/zinc/55/25/35/597552535.db2.gz YISUDVJEOCYICD-TZMCWYRMSA-N 1 0 333.388 1.892 20 5 EDBDRO C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CCN1c1cc[nH+]cc1 ZINC000881631938 597665430 /nfs/dbraw/zinc/66/54/30/597665430.db2.gz IFAAVIDCHYIJSK-LLVKDONJSA-N 1 0 330.348 1.074 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NCC[N@@H+](C)C1CC1 ZINC000881811143 597734114 /nfs/dbraw/zinc/73/41/14/597734114.db2.gz JZHJMCACZRIBIL-UHFFFAOYSA-N 1 0 347.824 1.929 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCCO2)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000883510118 597782125 /nfs/dbraw/zinc/78/21/25/597782125.db2.gz IEQXBDSLJOCOOS-NEPJUHHUSA-N 1 0 347.371 1.438 20 5 EDBDRO NC(=O)[C@@H](F)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000879046727 597799596 /nfs/dbraw/zinc/79/95/96/597799596.db2.gz ACXXDSGDSNDXIR-AWEZNQCLSA-N 1 0 325.340 1.509 20 5 EDBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c(Cl)c1 ZINC000880072157 597831369 /nfs/dbraw/zinc/83/13/69/597831369.db2.gz VLYUOEYZGIPAQK-UONOGXRCSA-N 1 0 325.796 1.889 20 5 EDBDRO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000880252058 597883499 /nfs/dbraw/zinc/88/34/99/597883499.db2.gz VQWPRILKSMDLEZ-UHFFFAOYSA-N 1 0 346.431 1.901 20 5 EDBDRO CO[C@@H]1COCC[C@@H]1[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000880431847 597932508 /nfs/dbraw/zinc/93/25/08/597932508.db2.gz HLXPAPDWNFUMMQ-HEHGZKQESA-N 1 0 340.376 1.070 20 5 EDBDRO O=C1NCC[C@@H]2CCC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)[C@H]12 ZINC000880525445 597954749 /nfs/dbraw/zinc/95/47/49/597954749.db2.gz HENSBINDIUBENQ-BBRMVZONSA-N 1 0 333.388 1.964 20 5 EDBDRO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000882634857 598008125 /nfs/dbraw/zinc/00/81/25/598008125.db2.gz BQZHKXJKYAWPEP-CQSZACIVSA-N 1 0 333.388 1.833 20 5 EDBDRO COC(=O)/C=C/c1ccc(NC[C@H]2CSCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000882729032 598035142 /nfs/dbraw/zinc/03/51/42/598035142.db2.gz QTTXGNFTABTCEI-PYEVWLCESA-N 1 0 337.401 1.898 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000917292370 696994637 /nfs/dbraw/zinc/99/46/37/696994637.db2.gz KJVFOPOEBWTSJY-KGLIPLIRSA-N 1 0 343.387 1.688 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000917909206 697105753 /nfs/dbraw/zinc/10/57/53/697105753.db2.gz QGABKHIJNKTYKA-ZFWWWQNUSA-N 1 0 339.417 1.641 20 5 EDBDRO O=C(OCC[NH+]1CCCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000920090382 697394027 /nfs/dbraw/zinc/39/40/27/697394027.db2.gz NTPZGFOQBYAAHO-UHFFFAOYSA-N 1 0 345.359 1.818 20 5 EDBDRO CCCOc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001031662641 697439471 /nfs/dbraw/zinc/43/94/71/697439471.db2.gz JWCAZFXZEHBFNI-IAGOWNOFSA-N 1 0 347.415 1.689 20 5 EDBDRO CN(C)c1ccccc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996428861 702783174 /nfs/dbraw/zinc/78/31/74/702783174.db2.gz JKYARHJFVIMNPJ-NVXWUHKLSA-N 1 0 346.431 1.498 20 5 EDBDRO O=C(c1csnn1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000996843563 703130036 /nfs/dbraw/zinc/13/00/36/703130036.db2.gz RBTGUMLKRQVFBQ-UHFFFAOYSA-N 1 0 347.400 1.841 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CC1CCN(C(=O)C(C)(C)F)CC1 ZINC000997461002 703679353 /nfs/dbraw/zinc/67/93/53/703679353.db2.gz NBARXYYISPNHJZ-UHFFFAOYSA-N 1 0 341.387 1.405 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CC1CCN(C(=O)C=C2CCC2)CC1 ZINC000997670709 704014795 /nfs/dbraw/zinc/01/47/95/704014795.db2.gz LJKRAIHLYAFPHC-UHFFFAOYSA-N 1 0 347.419 1.767 20 5 EDBDRO CO[C@@]1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000922615835 704141682 /nfs/dbraw/zinc/14/16/82/704141682.db2.gz OQPMHIZEOWCQAE-ZDTYVGOBSA-N 1 0 340.401 1.401 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CCC(F)(F)F)C[C@H]2CC1 ZINC000946589358 704158601 /nfs/dbraw/zinc/15/86/01/704158601.db2.gz VAUGDKODNAQQNB-YVECIDJPSA-N 1 0 349.353 1.774 20 5 EDBDRO Cc1cc(CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)nn1C ZINC000922690166 704237940 /nfs/dbraw/zinc/23/79/40/704237940.db2.gz UWHIGXGKOGOULY-UHFFFAOYSA-N 1 0 332.360 1.740 20 5 EDBDRO Cc1nc(C)c(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC000997773110 704674941 /nfs/dbraw/zinc/67/49/41/704674941.db2.gz SXRZEYVPCKVVEM-ZIAGYGMSSA-N 1 0 336.392 1.285 20 5 EDBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1cnsn1 ZINC001002401278 708914175 /nfs/dbraw/zinc/91/41/75/708914175.db2.gz OZBOAWMTJKMJMZ-UHFFFAOYSA-N 1 0 347.400 1.841 20 5 EDBDRO CC[C@@H](CO)[NH+]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000131668255 529507188 /nfs/dbraw/zinc/50/71/88/529507188.db2.gz FFMJJKNOVRFHEZ-KIUWMYQTSA-N 1 0 333.388 1.523 20 5 EDBDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000162112814 529603382 /nfs/dbraw/zinc/60/33/82/529603382.db2.gz BAJRMVYOKJERST-AWEZNQCLSA-N 1 0 329.422 1.897 20 5 EDBDRO O=C(NCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccco1 ZINC000559983482 306260206 /nfs/dbraw/zinc/26/02/06/306260206.db2.gz IFVJDVLFLIQJJF-CHWSQXEVSA-N 1 0 347.375 1.888 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000563161350 306321077 /nfs/dbraw/zinc/32/10/77/306321077.db2.gz UTRCUXRVGBFSKA-AWEZNQCLSA-N 1 0 333.388 1.351 20 5 EDBDRO CC[N@@H+]1CC[C@@H](NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)C1 ZINC000412831008 304038804 /nfs/dbraw/zinc/03/88/04/304038804.db2.gz BTNLLESZRDQHKQ-GFCCVEGCSA-N 1 0 344.375 1.308 20 5 EDBDRO Cc1cc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000184076805 235300331 /nfs/dbraw/zinc/30/03/31/235300331.db2.gz BVQLEEXRYMAWBC-CYBMUJFWSA-N 1 0 349.435 1.241 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000068218117 138193227 /nfs/dbraw/zinc/19/32/27/138193227.db2.gz QTCSDXDRHHXMDG-OAHLLOKOSA-N 1 0 345.403 1.389 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000078637455 138258422 /nfs/dbraw/zinc/25/84/22/138258422.db2.gz DANGFMSZGPAYEU-UHFFFAOYSA-N 1 0 327.406 1.618 20 5 EDBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000080791764 138264861 /nfs/dbraw/zinc/26/48/61/138264861.db2.gz DHDDTYPSBUMBIZ-UHFFFAOYSA-N 1 0 329.422 1.913 20 5 EDBDRO C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000563746441 306346642 /nfs/dbraw/zinc/34/66/42/306346642.db2.gz IFZDBGUBXIHQKA-VIFPVBQESA-N 1 0 342.783 1.044 20 5 EDBDRO NC(=O)c1ccc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c([N+](=O)[O-])c1 ZINC000363414787 283379705 /nfs/dbraw/zinc/37/97/05/283379705.db2.gz RKWUZUHZALAIOQ-MELADBBJSA-N 1 0 330.388 1.614 20 5 EDBDRO CC1(C)C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000564851019 306367480 /nfs/dbraw/zinc/36/74/80/306367480.db2.gz FQPZLZQERLEWKG-GFCCVEGCSA-N 1 0 342.417 1.916 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000193302191 283566408 /nfs/dbraw/zinc/56/64/08/283566408.db2.gz UMTBPTCYLCHYFV-JTQLQIEISA-N 1 0 347.824 1.929 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000041240556 201091325 /nfs/dbraw/zinc/09/13/25/201091325.db2.gz MJPZOWKAQGYYIO-UHFFFAOYSA-N 1 0 346.387 1.585 20 5 EDBDRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000041668544 201093847 /nfs/dbraw/zinc/09/38/47/201093847.db2.gz BLIATTNUABXWOX-LBPRGKRZSA-N 1 0 334.376 1.381 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000067393841 201159056 /nfs/dbraw/zinc/15/90/56/201159056.db2.gz XINFABMFYQAJOV-ZDUSSCGKSA-N 1 0 348.403 1.690 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000154230958 201395581 /nfs/dbraw/zinc/39/55/81/201395581.db2.gz KLTJBMAMOXKOOZ-NSHDSACASA-N 1 0 345.396 1.805 20 5 EDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000156122884 201398808 /nfs/dbraw/zinc/39/88/08/201398808.db2.gz LYQHGRVXEGHGCF-SCZZXKLOSA-N 1 0 333.797 1.749 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000068999107 202976647 /nfs/dbraw/zinc/97/66/47/202976647.db2.gz KRYISRZEZHXOQV-UHFFFAOYSA-N 1 0 337.424 1.728 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000192029813 138933341 /nfs/dbraw/zinc/93/33/41/138933341.db2.gz VRLAKDLPWLKFAG-LBPRGKRZSA-N 1 0 327.406 1.699 20 5 EDBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000133031464 203690687 /nfs/dbraw/zinc/69/06/87/203690687.db2.gz JDZOMBWBNZGBOH-VIFPVBQESA-N 1 0 333.797 1.539 20 5 EDBDRO Cc1c(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000106364820 204191282 /nfs/dbraw/zinc/19/12/82/204191282.db2.gz CWPVLJUNBBSNDG-NSHDSACASA-N 1 0 336.348 1.978 20 5 EDBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195262248 139011765 /nfs/dbraw/zinc/01/17/65/139011765.db2.gz VTILIMCFEWGMQG-TXEJJXNPSA-N 1 0 327.344 1.072 20 5 EDBDRO C[C@@H]1CN(CC[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000195309768 139013547 /nfs/dbraw/zinc/01/35/47/139013547.db2.gz URKXREIRHSDNKJ-VBQJREDUSA-N 1 0 337.420 1.669 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000195333405 139014719 /nfs/dbraw/zinc/01/47/19/139014719.db2.gz SASAYZHSURLROA-UHFFFAOYSA-N 1 0 335.408 1.434 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCNS(C)(=O)=O ZINC000236843320 139033271 /nfs/dbraw/zinc/03/32/71/139033271.db2.gz RQNJICMINILSBV-UHFFFAOYSA-N 1 0 331.394 1.022 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237205415 139044201 /nfs/dbraw/zinc/04/42/01/139044201.db2.gz NFZIKUFLLDCOFF-ZACCUICWSA-N 1 0 341.389 1.165 20 5 EDBDRO C[NH2+]CC1CCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC1 ZINC000237355680 139049034 /nfs/dbraw/zinc/04/90/34/139049034.db2.gz GBPAEXXTEWTQSS-UHFFFAOYSA-N 1 0 341.433 1.832 20 5 EDBDRO C[C@@H]1C[C@@H](N(C)C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000127864863 205121494 /nfs/dbraw/zinc/12/14/94/205121494.db2.gz CPRCREQGBCSNRW-OCCSQVGLSA-N 1 0 349.387 1.727 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000133274962 205362331 /nfs/dbraw/zinc/36/23/31/205362331.db2.gz WUGHOQYGQUVIBU-UHFFFAOYSA-N 1 0 337.424 1.680 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158564298 205345140 /nfs/dbraw/zinc/34/51/40/205345140.db2.gz KXJXJTOZMWAGIC-ONGXEEELSA-N 1 0 327.768 1.965 20 5 EDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000133750243 205376954 /nfs/dbraw/zinc/37/69/54/205376954.db2.gz NDDRBOGUHWJVCC-CYBMUJFWSA-N 1 0 329.360 1.605 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)cc1C ZINC000237667036 139057426 /nfs/dbraw/zinc/05/74/26/139057426.db2.gz SNPIYHNQCNPBBI-LBPRGKRZSA-N 1 0 327.406 1.490 20 5 EDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCCCN1CC[NH2+]CC1 ZINC000237999618 139066006 /nfs/dbraw/zinc/06/60/06/139066006.db2.gz UGGGNKSIHVJTRI-UHFFFAOYSA-N 1 0 349.435 1.198 20 5 EDBDRO COc1cc(CCNC(=O)[C@H]2CC[NH2+][C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000567750250 306461109 /nfs/dbraw/zinc/46/11/09/306461109.db2.gz OEODFSIDDJTJOY-PWSUYJOCSA-N 1 0 337.376 1.269 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000156453875 206078291 /nfs/dbraw/zinc/07/82/91/206078291.db2.gz CSXYQAHMFOSXHA-WDEREUQCSA-N 1 0 344.371 1.636 20 5 EDBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000374615782 296219246 /nfs/dbraw/zinc/21/92/46/296219246.db2.gz ZRSFARWQHQGAPP-CVEARBPZSA-N 1 0 346.387 1.008 20 5 EDBDRO [NH3+]C1(CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000159681989 206257873 /nfs/dbraw/zinc/25/78/73/206257873.db2.gz NMNOQPAKVQHSAA-UHFFFAOYSA-N 1 0 344.371 1.828 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000246739122 139119705 /nfs/dbraw/zinc/11/97/05/139119705.db2.gz PJDHHLURGUDOMY-CZUORRHYSA-N 1 0 331.376 1.632 20 5 EDBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000161140053 206329846 /nfs/dbraw/zinc/32/98/46/206329846.db2.gz LXOIQYYWTZZNPT-YGRLFVJLSA-N 1 0 331.376 1.930 20 5 EDBDRO C[NH+](C)CCC1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000161485104 206350875 /nfs/dbraw/zinc/35/08/75/206350875.db2.gz AKEJJEWLZAWGHX-UHFFFAOYSA-N 1 0 338.412 1.165 20 5 EDBDRO O=C([C@H]1CCC[NH2+]C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161977151 206378671 /nfs/dbraw/zinc/37/86/71/206378671.db2.gz GBUQHBCZNUKOMT-ZDUSSCGKSA-N 1 0 333.388 1.964 20 5 EDBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248457494 139164996 /nfs/dbraw/zinc/16/49/96/139164996.db2.gz MIOJRTBFAFFSQX-OWCLPIDISA-N 1 0 349.431 1.893 20 5 EDBDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(CC)CC ZINC000249432813 139193324 /nfs/dbraw/zinc/19/33/24/139193324.db2.gz KBRUJUHTGHICGA-RBSFLKMASA-N 1 0 340.424 1.726 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000094004321 218260946 /nfs/dbraw/zinc/26/09/46/218260946.db2.gz JYAZDCKWBBIMCG-GHMZBOCLSA-N 1 0 344.371 1.649 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000261768852 139224366 /nfs/dbraw/zinc/22/43/66/139224366.db2.gz WSFNGEMJYRWTCK-INIZCTEOSA-N 1 0 347.396 1.760 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nc(C2([NH3+])CCC2)no1 ZINC000261782067 139225507 /nfs/dbraw/zinc/22/55/07/139225507.db2.gz FKUVTGGWJLCMCC-VIFPVBQESA-N 1 0 335.368 1.921 20 5 EDBDRO CCOc1cc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000261804237 139227454 /nfs/dbraw/zinc/22/74/54/139227454.db2.gz MAEBXVCRMDAVNG-MNOVXSKESA-N 1 0 337.376 1.811 20 5 EDBDRO C[NH2+]CCC1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000261777336 139225059 /nfs/dbraw/zinc/22/50/59/139225059.db2.gz RNLRTHQXMJQOCF-UHFFFAOYSA-N 1 0 341.433 1.913 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000261804018 139227511 /nfs/dbraw/zinc/22/75/11/139227511.db2.gz FWOBTILSKVFDEG-AWEZNQCLSA-N 1 0 341.433 1.960 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000261891229 139234555 /nfs/dbraw/zinc/23/45/55/139234555.db2.gz NSDVWLDLHRZHFU-VHDGCEQUSA-N 1 0 339.417 1.484 20 5 EDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000261878010 139233396 /nfs/dbraw/zinc/23/33/96/139233396.db2.gz TXXRMEYYPJHYGC-NEPJUHHUSA-N 1 0 329.360 1.590 20 5 EDBDRO C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000569213869 306499847 /nfs/dbraw/zinc/49/98/47/306499847.db2.gz GQKYJNGVQPQICW-WBMJQRKESA-N 1 0 334.376 1.469 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000173992271 206976466 /nfs/dbraw/zinc/97/64/66/206976466.db2.gz APBXAZZPFTYDJR-HNNXBMFYSA-N 1 0 341.433 1.841 20 5 EDBDRO CCCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000415498984 250974876 /nfs/dbraw/zinc/97/48/76/250974876.db2.gz KKFGLXHJEJWTEG-UHFFFAOYSA-N 1 0 334.376 1.524 20 5 EDBDRO CC(C)(C)c1ccc(NC(=O)C(=O)NCCCC[NH3+])cc1[N+](=O)[O-] ZINC000415556336 251010530 /nfs/dbraw/zinc/01/05/30/251010530.db2.gz COANTXYPHBRYCA-UHFFFAOYSA-N 1 0 336.392 1.686 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415765506 251022951 /nfs/dbraw/zinc/02/29/51/251022951.db2.gz RCPZRCMNRUIJMD-CHWSQXEVSA-N 1 0 346.387 1.164 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000175078241 207092059 /nfs/dbraw/zinc/09/20/59/207092059.db2.gz ZEICQHJDMNNMMI-WDEREUQCSA-N 1 0 345.396 1.885 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417203182 251146313 /nfs/dbraw/zinc/14/63/13/251146313.db2.gz YKNQUUGVEQATNG-FUNVUKJBSA-N 1 0 334.376 1.686 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000417221679 251148475 /nfs/dbraw/zinc/14/84/75/251148475.db2.gz DJGBJORRUFWQDC-UHFFFAOYSA-N 1 0 332.404 1.922 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000262338473 139271455 /nfs/dbraw/zinc/27/14/55/139271455.db2.gz UBZMOYYATJUMLH-AWEZNQCLSA-N 1 0 327.406 1.571 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262364614 139273496 /nfs/dbraw/zinc/27/34/96/139273496.db2.gz KUXIEKMAMYIIDY-NWDGAFQWSA-N 1 0 329.360 1.508 20 5 EDBDRO CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000176385975 207222734 /nfs/dbraw/zinc/22/27/34/207222734.db2.gz VVCAMMHHFVJYPD-UHFFFAOYSA-N 1 0 330.182 1.991 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc3c(c2)C[NH2+]C3)n1 ZINC000420231771 251651927 /nfs/dbraw/zinc/65/19/27/251651927.db2.gz ANXHOYYDTRIBKP-UHFFFAOYSA-N 1 0 328.328 1.992 20 5 EDBDRO CN(c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000420287165 251667592 /nfs/dbraw/zinc/66/75/92/251667592.db2.gz QWFBLZHNGAEMOI-UHFFFAOYSA-N 1 0 329.360 1.485 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262812161 139305359 /nfs/dbraw/zinc/30/53/59/139305359.db2.gz UTOZDHSMEAEOBJ-JQWIXIFHSA-N 1 0 327.406 1.576 20 5 EDBDRO CCCN(C(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000422812927 251985787 /nfs/dbraw/zinc/98/57/87/251985787.db2.gz YLSKCYJZCDNWRT-AWEZNQCLSA-N 1 0 349.387 1.986 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000422851646 252000346 /nfs/dbraw/zinc/00/03/46/252000346.db2.gz PJCSCRFKAHINKV-YGRLFVJLSA-N 1 0 335.360 1.581 20 5 EDBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424226433 252171359 /nfs/dbraw/zinc/17/13/59/252171359.db2.gz RVLBSQZMVICPSQ-UHFFFAOYSA-N 1 0 341.371 1.872 20 5 EDBDRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415636650 304243878 /nfs/dbraw/zinc/24/38/78/304243878.db2.gz YAIPMBHXFFSCNE-UFBFGSQYSA-N 1 0 326.328 1.968 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCN1CC[NH2+]CC1 ZINC000415647993 304247200 /nfs/dbraw/zinc/24/72/00/304247200.db2.gz BEXNPWFWCYHBHK-UHFFFAOYSA-N 1 0 337.380 1.020 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH2+]CCOC ZINC000415650619 304247873 /nfs/dbraw/zinc/24/78/73/304247873.db2.gz FVSGDPZHHPBLSD-UHFFFAOYSA-N 1 0 326.353 1.351 20 5 EDBDRO C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000263232612 139329920 /nfs/dbraw/zinc/32/99/20/139329920.db2.gz NQLTZQVUEGQKDP-IFIJOSMWSA-N 1 0 347.419 1.910 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415667178 304252450 /nfs/dbraw/zinc/25/24/50/304252450.db2.gz XRANDTJXGXTYAI-CMPLNLGQSA-N 1 0 334.376 1.352 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000415683351 304255945 /nfs/dbraw/zinc/25/59/45/304255945.db2.gz SNWBWKFUOUKKFL-NWDGAFQWSA-N 1 0 334.376 1.407 20 5 EDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000493550342 255214959 /nfs/dbraw/zinc/21/49/59/255214959.db2.gz HXZDQRQSZYLURJ-ZNNBYXKUSA-N 1 0 331.372 1.181 20 5 EDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000493820357 255222876 /nfs/dbraw/zinc/22/28/76/255222876.db2.gz LGUUAGBPQXCPDA-GBJFIMJBSA-N 1 0 335.335 1.336 20 5 EDBDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000495617308 255310161 /nfs/dbraw/zinc/31/01/61/255310161.db2.gz PRIILHXTRMYTRE-LBPRGKRZSA-N 1 0 325.369 1.392 20 5 EDBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2c([N+](=O)[O-])cnn2C)c1 ZINC000119472406 221328859 /nfs/dbraw/zinc/32/88/59/221328859.db2.gz VKZVVDYOTLZXLQ-UHFFFAOYSA-N 1 0 345.403 1.841 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000344812935 533408710 /nfs/dbraw/zinc/40/87/10/533408710.db2.gz NWNSCGLUIAWLKF-BLMSOEDDSA-N 1 0 340.401 1.401 20 5 EDBDRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000267228262 139590409 /nfs/dbraw/zinc/59/04/09/139590409.db2.gz REBMVNSXBYNQBJ-NSHDSACASA-N 1 0 325.365 1.353 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270530120 140117868 /nfs/dbraw/zinc/11/78/68/140117868.db2.gz OCZAJLHSCFUOEC-UHFFFAOYSA-N 1 0 338.408 1.357 20 5 EDBDRO [NH3+]CCCNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000571760927 306574018 /nfs/dbraw/zinc/57/40/18/306574018.db2.gz VSRLRMWVHWVUSA-UHFFFAOYSA-N 1 0 349.128 1.278 20 5 EDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1[N+](=O)[O-] ZINC000271674327 140331705 /nfs/dbraw/zinc/33/17/05/140331705.db2.gz ADVOQNIYYOSJRG-BXUZGUMPSA-N 1 0 349.347 1.720 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000271938973 140376149 /nfs/dbraw/zinc/37/61/49/140376149.db2.gz WBDFWQBBKDJWEV-UHFFFAOYSA-N 1 0 332.360 1.220 20 5 EDBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCOCC1 ZINC000331738850 141075714 /nfs/dbraw/zinc/07/57/14/141075714.db2.gz VCAHKZFGJBDSAG-RBSFLKMASA-N 1 0 337.424 1.585 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc([N+](=O)[O-])c1 ZINC000332239089 141145305 /nfs/dbraw/zinc/14/53/05/141145305.db2.gz IDVLEPQRVKPXFN-HUUCEWRRSA-N 1 0 347.371 1.738 20 5 EDBDRO C[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H](C)[NH+]1C ZINC000339621476 142097900 /nfs/dbraw/zinc/09/79/00/142097900.db2.gz IAECLCKWJCZBDD-XJKCOSOUSA-N 1 0 332.404 1.725 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000344790844 143012208 /nfs/dbraw/zinc/01/22/08/143012208.db2.gz JOGRFTAKDYGDSE-WKOYGUFESA-N 1 0 346.431 1.928 20 5 EDBDRO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000346643845 143225408 /nfs/dbraw/zinc/22/54/08/143225408.db2.gz FQLRAQHTUKOUTK-CMPLNLGQSA-N 1 0 334.376 1.285 20 5 EDBDRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000347050683 143276633 /nfs/dbraw/zinc/27/66/33/143276633.db2.gz RCGYNYHWZXYNAH-CORIIIEPSA-N 1 0 338.360 1.218 20 5 EDBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)CC1 ZINC000347098046 143282495 /nfs/dbraw/zinc/28/24/95/143282495.db2.gz KXEGWLXXBLVPCH-LBPRGKRZSA-N 1 0 346.387 1.605 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([N@H+](C)CCO)[C@@H]1C ZINC000347169175 143290389 /nfs/dbraw/zinc/29/03/89/143290389.db2.gz NIEWBGUMDMZXJR-FZMZJTMJSA-N 1 0 337.376 1.131 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347307632 143306282 /nfs/dbraw/zinc/30/62/82/143306282.db2.gz TZENPMCGUWXDSA-UHFFFAOYSA-N 1 0 328.344 1.824 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1Cc1nc([C@@H]2CN3CCC[C@]3(C)CO2)no1 ZINC000347323256 143308515 /nfs/dbraw/zinc/30/85/15/143308515.db2.gz APONZHHCNPROSO-XHDPSFHLSA-N 1 0 348.363 1.457 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000348060656 143396502 /nfs/dbraw/zinc/39/65/02/143396502.db2.gz UZSQJPFLGXKGLP-CABCVRRESA-N 1 0 339.417 1.651 20 5 EDBDRO COc1ccc(OCC[N@H+](C)[C@H]2CCCCNC2=O)c([N+](=O)[O-])c1 ZINC000369829558 155194944 /nfs/dbraw/zinc/19/49/44/155194944.db2.gz KWMHGJIYLVKJBA-ZDUSSCGKSA-N 1 0 337.376 1.583 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000352697627 149121279 /nfs/dbraw/zinc/12/12/79/149121279.db2.gz LLXCNQHPRIKJDX-XEGUGMAKSA-N 1 0 337.376 1.776 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000355355579 150229880 /nfs/dbraw/zinc/22/98/80/150229880.db2.gz ZRLLCFLUOAATAC-HZPDHXFCSA-N 1 0 333.388 1.459 20 5 EDBDRO COC(=O)COc1ccc(C[N@H+](C[C@@H](C)O)C(C)C)cc1[N+](=O)[O-] ZINC000355762844 150390288 /nfs/dbraw/zinc/39/02/88/150390288.db2.gz UBXOGLQCOPTYKS-GFCCVEGCSA-N 1 0 340.376 1.738 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1Cc1nc(CC2=[NH+][C@H]3CCCC[C@@H]3N2)no1 ZINC000357956557 151210057 /nfs/dbraw/zinc/21/00/57/151210057.db2.gz ZBFZBUZGCVPQTD-QWRGUYRKSA-N 1 0 345.363 1.386 20 5 EDBDRO C[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000358055435 151249636 /nfs/dbraw/zinc/24/96/36/151249636.db2.gz MEVHDRIEFZVIFN-BMIGLBTASA-N 1 0 325.340 1.020 20 5 EDBDRO C[C@@H]([NH2+]CCn1nc2ccccn2c1=O)c1ccccc1[N+](=O)[O-] ZINC000358100792 151270367 /nfs/dbraw/zinc/27/03/67/151270367.db2.gz QFMGXQRXVQLREF-GFCCVEGCSA-N 1 0 327.344 1.755 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359294792 151673999 /nfs/dbraw/zinc/67/39/99/151673999.db2.gz ATGIKECWCHSDRV-RYUDHWBXSA-N 1 0 332.360 1.044 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000360909047 152248184 /nfs/dbraw/zinc/24/81/84/152248184.db2.gz BUUNVTYEZIXDJO-ZDUSSCGKSA-N 1 0 325.413 1.624 20 5 EDBDRO CNc1c(C(=O)NCCN2CCOCC2(C)C)cccc1[N+](=O)[O-] ZINC000361206141 152334543 /nfs/dbraw/zinc/33/45/43/152334543.db2.gz XTDIHTUBVILIFV-UHFFFAOYSA-N 1 0 336.392 1.477 20 5 EDBDRO CCO[C@H]1COCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000362021629 152588672 /nfs/dbraw/zinc/58/86/72/152588672.db2.gz ZMDMSRMNDQXEOH-CABCVRRESA-N 1 0 337.376 1.707 20 5 EDBDRO Cc1nc(C(C)(C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)sc1C ZINC000362416381 152702940 /nfs/dbraw/zinc/70/29/40/152702940.db2.gz QOKMBEAYLOKWQX-GFCCVEGCSA-N 1 0 339.421 1.750 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000370171968 155362365 /nfs/dbraw/zinc/36/23/65/155362365.db2.gz IDYGVRMPIYUMIO-DGCLKSJQSA-N 1 0 325.390 1.276 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000362675432 152776885 /nfs/dbraw/zinc/77/68/85/152776885.db2.gz SAZZVYGBGZLTBR-IUCAKERBSA-N 1 0 333.435 1.954 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)ccc1[N+](=O)[O-] ZINC000364184652 153165703 /nfs/dbraw/zinc/16/57/03/153165703.db2.gz SJYYZKYFMVHWGC-LSDHHAIUSA-N 1 0 339.417 1.795 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000364554636 153269152 /nfs/dbraw/zinc/26/91/52/153269152.db2.gz ZAMMUIRGNKXMBT-CYBMUJFWSA-N 1 0 336.392 1.824 20 5 EDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000417199831 304383809 /nfs/dbraw/zinc/38/38/09/304383809.db2.gz ZDLVMGPXRSYGOL-ZDUSSCGKSA-N 1 0 336.392 1.887 20 5 EDBDRO COc1ccc(CNC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000417200171 304384163 /nfs/dbraw/zinc/38/41/63/304384163.db2.gz SVHVNDHRIMTNNJ-YPMHNXCESA-N 1 0 336.392 1.872 20 5 EDBDRO COc1ccc(CNC(=O)N2CCC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000417199010 304383862 /nfs/dbraw/zinc/38/38/62/304383862.db2.gz SIXZTCXJAAZLGH-GFCCVEGCSA-N 1 0 336.392 1.874 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000195302954 292291962 /nfs/dbraw/zinc/29/19/62/292291962.db2.gz AIQNBUNOCGWZCT-TXEJJXNPSA-N 1 0 325.390 1.052 20 5 EDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000366301891 153776561 /nfs/dbraw/zinc/77/65/61/153776561.db2.gz FGOKKKFOJIWTQZ-OCCSQVGLSA-N 1 0 325.390 1.108 20 5 EDBDRO CNC(=O)C[N@@H+]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000367422983 154115537 /nfs/dbraw/zinc/11/55/37/154115537.db2.gz OPKNFYAUWIHCKH-QPJJXVBHSA-N 1 0 332.404 1.362 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)cc1[N+](=O)[O-] ZINC000370631581 155586561 /nfs/dbraw/zinc/58/65/61/155586561.db2.gz QLZOWCDGYYUZNP-LSDHHAIUSA-N 1 0 339.417 1.795 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000372156252 156246737 /nfs/dbraw/zinc/24/67/37/156246737.db2.gz NONRWOVAXFRMCG-BRWVUGGUSA-N 1 0 335.404 1.159 20 5 EDBDRO Cc1ccc([C@@H]2CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000374610079 157343680 /nfs/dbraw/zinc/34/36/80/157343680.db2.gz GHOWZLVHEJMSAS-WBVHZDCISA-N 1 0 330.388 1.950 20 5 EDBDRO O=C1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@H]([C@@H]2CCCO2)N1 ZINC000352447566 162185987 /nfs/dbraw/zinc/18/59/87/162185987.db2.gz MWPJPIRMZLAETO-OFQRWUPVSA-N 1 0 337.351 1.650 20 5 EDBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000352564247 162256224 /nfs/dbraw/zinc/25/62/24/162256224.db2.gz CQOCOYFJSKMSHZ-LBPRGKRZSA-N 1 0 329.422 1.994 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000360667717 162296858 /nfs/dbraw/zinc/29/68/58/162296858.db2.gz ZLTLXBWMWGAEHM-WDEREUQCSA-N 1 0 343.405 1.364 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000364491009 162333399 /nfs/dbraw/zinc/33/33/99/162333399.db2.gz BWWHZZSVYVKWOZ-CYBMUJFWSA-N 1 0 344.375 1.770 20 5 EDBDRO CN(Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H](O)CN1CCOCC1 ZINC000119308225 287351587 /nfs/dbraw/zinc/35/15/87/287351587.db2.gz RQVOZDUGTKHCBU-LBPRGKRZSA-N 1 0 343.811 1.373 20 5 EDBDRO CC(C)[NH+](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000193337286 272991204 /nfs/dbraw/zinc/99/12/04/272991204.db2.gz NVTAQPZBBFHLTO-UHFFFAOYSA-N 1 0 329.422 1.992 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000028421785 267380401 /nfs/dbraw/zinc/38/04/01/267380401.db2.gz INXHTXFHCSIWII-CQSZACIVSA-N 1 0 347.375 1.728 20 5 EDBDRO Cc1nn(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000273328831 268027595 /nfs/dbraw/zinc/02/75/95/268027595.db2.gz IUBOOJIBEMTCSC-CQSZACIVSA-N 1 0 331.376 1.519 20 5 EDBDRO C[C@@H]1[C@H](C)[S@@](=O)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273348191 268032171 /nfs/dbraw/zinc/03/21/71/268032171.db2.gz OUBJHXUSAUNTOQ-CMUWAASVSA-N 1 0 342.417 1.176 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000277345060 273190615 /nfs/dbraw/zinc/19/06/15/273190615.db2.gz WIYJEERHDFMZLU-ZBFHGGJFSA-N 1 0 337.420 1.751 20 5 EDBDRO COCCO[C@@H]1C[C@H](CO)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000278016699 273240977 /nfs/dbraw/zinc/24/09/77/273240977.db2.gz ADUCATSZFAOLFW-DOTOQJQBSA-N 1 0 338.404 1.483 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1(C[NH+](C)C)CCC1 ZINC000281463080 273477194 /nfs/dbraw/zinc/47/71/94/273477194.db2.gz INQXTDQHUBXJMG-UHFFFAOYSA-N 1 0 327.406 1.666 20 5 EDBDRO Cc1c(NC(=O)CC[NH2+][C@H]2CCC(=O)N[C@H]2C)cccc1[N+](=O)[O-] ZINC000282519209 273668467 /nfs/dbraw/zinc/66/84/67/273668467.db2.gz YBNJSTMOWQHJSF-AAEUAGOBSA-N 1 0 334.376 1.489 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000359489084 273782383 /nfs/dbraw/zinc/78/23/83/273782383.db2.gz ZJINYXRZOPUFLM-CYBMUJFWSA-N 1 0 325.413 1.624 20 5 EDBDRO CNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000284259923 274136757 /nfs/dbraw/zinc/13/67/57/274136757.db2.gz WENLQRNFIJGDDP-LLVKDONJSA-N 1 0 335.408 1.038 20 5 EDBDRO C[C@@H](C[NH3+])N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420461202 274215252 /nfs/dbraw/zinc/21/52/52/274215252.db2.gz RUJAYHSSQBUMKN-ZETCQYMHSA-N 1 0 341.311 1.581 20 5 EDBDRO C[C@@H](CO)[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413260806 274227842 /nfs/dbraw/zinc/22/78/42/274227842.db2.gz RIZAOQIMEFHANK-JTQLQIEISA-N 1 0 348.325 1.902 20 5 EDBDRO CCc1ccc(C(=O)N(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC000284683341 274292895 /nfs/dbraw/zinc/29/28/95/274292895.db2.gz PILABRCUQNBDPO-GJZGRUSLSA-N 1 0 335.404 1.948 20 5 EDBDRO Cc1cc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c(N)c([N+](=O)[O-])c1 ZINC000284901274 274379778 /nfs/dbraw/zinc/37/97/78/274379778.db2.gz HGEHWRBHPPBUOV-KBPBESRZSA-N 1 0 334.376 1.031 20 5 EDBDRO O=C(N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)C12CCC[NH+]1CCC2 ZINC000368123567 274978506 /nfs/dbraw/zinc/97/85/06/274978506.db2.gz MAZYIWNKEJWAFM-CYBMUJFWSA-N 1 0 333.392 1.583 20 5 EDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)s1 ZINC000367418874 275034083 /nfs/dbraw/zinc/03/40/83/275034083.db2.gz LYOIAVIVZZJHIK-NWDGAFQWSA-N 1 0 349.416 1.635 20 5 EDBDRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000345900247 275620513 /nfs/dbraw/zinc/62/05/13/275620513.db2.gz GUVKNDJLXZXCGN-UHFFFAOYSA-N 1 0 337.424 1.904 20 5 EDBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000236768372 275748331 /nfs/dbraw/zinc/74/83/31/275748331.db2.gz HKWJJPJCJIXRBJ-CQSZACIVSA-N 1 0 331.376 1.731 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000102184074 276130976 /nfs/dbraw/zinc/13/09/76/276130976.db2.gz CIWKQISMHMIMGI-UHFFFAOYSA-N 1 0 343.405 1.366 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)n1 ZINC000286501415 288021106 /nfs/dbraw/zinc/02/11/06/288021106.db2.gz MZIVPIQUCZFXNW-NEPJUHHUSA-N 1 0 340.405 1.258 20 5 EDBDRO C[C@@]1(c2ccc(F)cc2)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361637601 279174799 /nfs/dbraw/zinc/17/47/99/279174799.db2.gz AEYOGQSGVQHPCL-DLBZAZTESA-N 1 0 348.378 1.955 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000359088654 280398744 /nfs/dbraw/zinc/39/87/44/280398744.db2.gz ADNMEINXJAHXOY-AWEZNQCLSA-N 1 0 347.419 1.349 20 5 EDBDRO CCCN(CC[NH+]1CCCC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000287569474 288267657 /nfs/dbraw/zinc/26/76/57/288267657.db2.gz XBBKNBIKGUOSCZ-UHFFFAOYSA-N 1 0 336.392 1.091 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000376769307 281261878 /nfs/dbraw/zinc/26/18/78/281261878.db2.gz WLJFWMDEGXOLNA-HNNXBMFYSA-N 1 0 339.417 1.667 20 5 EDBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000288639813 288533988 /nfs/dbraw/zinc/53/39/88/288533988.db2.gz XGAFGLPMCIFZMQ-LBPRGKRZSA-N 1 0 346.387 1.653 20 5 EDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289242367 288657112 /nfs/dbraw/zinc/65/71/12/288657112.db2.gz MXVREUWFVXNXKY-KRWDZBQOSA-N 1 0 332.404 1.999 20 5 EDBDRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000289691553 288760605 /nfs/dbraw/zinc/76/06/05/288760605.db2.gz SMWVSHDYACXQOA-WMLDXEAASA-N 1 0 346.431 1.878 20 5 EDBDRO O=C(CN1CC[C@H](n2cccn2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000291616934 289126765 /nfs/dbraw/zinc/12/67/65/289126765.db2.gz COUKFVIZUSCGHU-HNNXBMFYSA-N 1 0 341.371 1.627 20 5 EDBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344236772 289139739 /nfs/dbraw/zinc/13/97/39/289139739.db2.gz BLXPNQDWXSIYOW-HNNXBMFYSA-N 1 0 339.367 1.917 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000291855254 289197722 /nfs/dbraw/zinc/19/77/22/289197722.db2.gz IFXSOYJCXSGLTM-HNNXBMFYSA-N 1 0 339.417 1.620 20 5 EDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292086588 289258208 /nfs/dbraw/zinc/25/82/08/289258208.db2.gz GGVCKKIUOFKQFN-GUYCJALGSA-N 1 0 332.404 1.949 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000366433209 289331204 /nfs/dbraw/zinc/33/12/04/289331204.db2.gz CTVPUXJAJUKZPO-OWCLPIDISA-N 1 0 333.388 1.919 20 5 EDBDRO C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000292592866 289390605 /nfs/dbraw/zinc/39/06/05/289390605.db2.gz HGOLKNLADMAVED-IAQYHMDHSA-N 1 0 334.376 1.112 20 5 EDBDRO C[N@@H+]1CCO[C@H]2CCN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@H]21 ZINC000343279551 290115289 /nfs/dbraw/zinc/11/52/89/290115289.db2.gz JIVGNYADOMFMRB-KGLIPLIRSA-N 1 0 329.360 1.447 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000419282447 304585812 /nfs/dbraw/zinc/58/58/12/304585812.db2.gz YMNBRDBEFOTTIJ-OSMZGAPFSA-N 1 0 348.403 1.195 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000420453590 301199698 /nfs/dbraw/zinc/19/96/98/301199698.db2.gz VEHFQELQMGQXCG-LBPRGKRZSA-N 1 0 327.406 1.632 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000422557399 301395718 /nfs/dbraw/zinc/39/57/18/301395718.db2.gz VZQBPBIROVZYNS-UHTWSYAYSA-N 1 0 341.433 1.897 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1C ZINC000261845818 301425975 /nfs/dbraw/zinc/42/59/75/301425975.db2.gz JAIWZHOXUWURHA-MFKMUULPSA-N 1 0 341.433 1.960 20 5 EDBDRO C[C@H]1CN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000420277998 304742344 /nfs/dbraw/zinc/74/23/44/304742344.db2.gz NIFJQTHFUDDDBH-CMPLNLGQSA-N 1 0 329.360 1.343 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000420445844 304759287 /nfs/dbraw/zinc/75/92/87/304759287.db2.gz GFKXXGCWALYXHR-GFCCVEGCSA-N 1 0 327.406 1.632 20 5 EDBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000420450553 304760383 /nfs/dbraw/zinc/76/03/83/304760383.db2.gz UPOSSSTUNWFLTR-CQSZACIVSA-N 1 0 341.433 1.589 20 5 EDBDRO C[C@H]1CCCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000420451148 304760454 /nfs/dbraw/zinc/76/04/54/304760454.db2.gz LDULXWOPQHEKPH-WFASDCNBSA-N 1 0 341.433 1.526 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420481080 304763828 /nfs/dbraw/zinc/76/38/28/304763828.db2.gz QAXHQQBIFGSMTC-BXUZGUMPSA-N 1 0 327.406 1.509 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000171629201 302042693 /nfs/dbraw/zinc/04/26/93/302042693.db2.gz GBOAZIOYBSOZMA-LLVKDONJSA-N 1 0 327.406 1.651 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261907637 302046465 /nfs/dbraw/zinc/04/64/65/302046465.db2.gz PQTTZMFIQTWNBB-RWMBFGLXSA-N 1 0 339.417 1.651 20 5 EDBDRO C[NH+](C)CCn1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2)n1 ZINC000173937231 302951767 /nfs/dbraw/zinc/95/17/67/302951767.db2.gz XEBWVTGVMQLIRY-UHFFFAOYSA-N 1 0 332.364 1.675 20 5 EDBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000294315925 303090911 /nfs/dbraw/zinc/09/09/11/303090911.db2.gz WOHVRBJOYFFVHR-QGZVFWFLSA-N 1 0 333.388 1.918 20 5 EDBDRO Cc1nc(NCc2cccnc2N2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000295569835 303236357 /nfs/dbraw/zinc/23/63/57/303236357.db2.gz RBEIALQNYIGUHR-UHFFFAOYSA-N 1 0 343.391 1.452 20 5 EDBDRO C[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000296259132 303306264 /nfs/dbraw/zinc/30/62/64/303306264.db2.gz OUVFVADOSOWBDE-GFCCVEGCSA-N 1 0 346.387 1.476 20 5 EDBDRO NC(=O)c1ccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000261826305 303343655 /nfs/dbraw/zinc/34/36/55/303343655.db2.gz SPCGOLOWDXIYGO-MRXNPFEDSA-N 1 0 341.371 1.235 20 5 EDBDRO Cc1cc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000297730966 303435613 /nfs/dbraw/zinc/43/56/13/303435613.db2.gz BYHZKDNENNGNET-UHFFFAOYSA-N 1 0 336.392 1.546 20 5 EDBDRO CC[NH+]1CCC(N(C)c2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1 ZINC000301301897 303671700 /nfs/dbraw/zinc/67/17/00/303671700.db2.gz YBRXLWGPWDDMLD-UHFFFAOYSA-N 1 0 331.376 1.523 20 5 EDBDRO Cc1nn(C)c(N2CCC(OCCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000362131542 303831907 /nfs/dbraw/zinc/83/19/07/303831907.db2.gz XTHQGGIVQVMMCK-UHFFFAOYSA-N 1 0 325.413 1.574 20 5 EDBDRO CCNC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000411795765 303915329 /nfs/dbraw/zinc/91/53/29/303915329.db2.gz RHWZPHNCBWUENN-HNNXBMFYSA-N 1 0 336.392 1.674 20 5 EDBDRO O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000423203195 304889228 /nfs/dbraw/zinc/88/92/28/304889228.db2.gz RUNQAWWUWGWKNU-CYBMUJFWSA-N 1 0 341.371 1.919 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000423688135 304904221 /nfs/dbraw/zinc/90/42/21/304904221.db2.gz ATQBMCXXLRDLOB-GXTWGEPZSA-N 1 0 348.403 1.267 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428041356 305005211 /nfs/dbraw/zinc/00/52/11/305005211.db2.gz HWHUIQBBWPGUIL-OCCSQVGLSA-N 1 0 348.403 1.616 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428044903 305005382 /nfs/dbraw/zinc/00/53/82/305005382.db2.gz NXUUOYOREMKCAJ-CJNGLKHVSA-N 1 0 332.404 1.916 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000429078945 305023789 /nfs/dbraw/zinc/02/37/89/305023789.db2.gz VGQWIGCQMMLHFZ-MRVPVSSYSA-N 1 0 345.302 1.626 20 5 EDBDRO CN(C)S(=O)(=O)CCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429237580 305026165 /nfs/dbraw/zinc/02/61/65/305026165.db2.gz LCFZVHBLFCKXIQ-UHFFFAOYSA-N 1 0 329.422 1.701 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000429267061 305027320 /nfs/dbraw/zinc/02/73/20/305027320.db2.gz ZITWKNYZNMMKOG-SRVKXCTJSA-N 1 0 338.412 1.071 20 5 EDBDRO COCC[C@]1(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000429916151 305040204 /nfs/dbraw/zinc/04/02/04/305040204.db2.gz JHTCCMOKVJCNSJ-MRXNPFEDSA-N 1 0 337.376 1.236 20 5 EDBDRO C[C@@](C[NH3+])(NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000430569680 305056323 /nfs/dbraw/zinc/05/63/23/305056323.db2.gz AKOCGLKDEAZJOY-AWEZNQCLSA-N 1 0 326.784 1.904 20 5 EDBDRO C[NH2+]CC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430967797 305071572 /nfs/dbraw/zinc/07/15/72/305071572.db2.gz UZNVAQLFTLHGMA-UHFFFAOYSA-N 1 0 336.392 1.473 20 5 EDBDRO C[NH2+]C[C@H]1CCN([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430967577 305071706 /nfs/dbraw/zinc/07/17/06/305071706.db2.gz UAFRSCVWYAUVMV-VXGBXAGGSA-N 1 0 336.392 1.472 20 5 EDBDRO Cc1nn(C)c(NCC(=O)NCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000431493901 305078135 /nfs/dbraw/zinc/07/81/35/305078135.db2.gz DGXVAKNAPYCEQN-UHFFFAOYSA-N 1 0 338.412 1.041 20 5 EDBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)n(C2CC[NH+](C)CC2)n1 ZINC000431505818 305078449 /nfs/dbraw/zinc/07/84/49/305078449.db2.gz LDTXVXXZGVABQV-UHFFFAOYSA-N 1 0 332.364 1.947 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000432366252 305092250 /nfs/dbraw/zinc/09/22/50/305092250.db2.gz DGBSYLDRNMWGPX-YPMHNXCESA-N 1 0 338.360 1.661 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433376942 305106773 /nfs/dbraw/zinc/10/67/73/305106773.db2.gz KZQWORUPAWYMCQ-CYBMUJFWSA-N 1 0 344.375 1.383 20 5 EDBDRO COC[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000434793311 305130298 /nfs/dbraw/zinc/13/02/98/305130298.db2.gz HQGRVDNBROTDEN-OCCSQVGLSA-N 1 0 337.376 1.625 20 5 EDBDRO Cc1cc(OCC(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000435677892 305145055 /nfs/dbraw/zinc/14/50/55/305145055.db2.gz KLINOSQHMAWXMD-MRXNPFEDSA-N 1 0 333.388 1.835 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c1C ZINC000440439058 305206742 /nfs/dbraw/zinc/20/67/42/305206742.db2.gz CUDHKYHJQXJMOV-JQWIXIFHSA-N 1 0 327.406 1.569 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000440746147 305212203 /nfs/dbraw/zinc/21/22/03/305212203.db2.gz JRDCWFZJIJRVFJ-OAHLLOKOSA-N 1 0 339.417 1.586 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c1[N+](=O)[O-] ZINC000440839186 305213293 /nfs/dbraw/zinc/21/32/93/305213293.db2.gz AMLKEYXOWWWRCO-VXGBXAGGSA-N 1 0 327.406 1.569 20 5 EDBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000446370486 305263924 /nfs/dbraw/zinc/26/39/24/305263924.db2.gz SGKBYWUXBOBCLC-BETUJISGSA-N 1 0 347.371 1.261 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c1C ZINC000447241762 305275922 /nfs/dbraw/zinc/27/59/22/305275922.db2.gz CCTIFMDKGRWCEL-VXGBXAGGSA-N 1 0 327.406 1.569 20 5 EDBDRO COCCCN(C)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447531374 305281601 /nfs/dbraw/zinc/28/16/01/305281601.db2.gz PPGMIMDQNDAYED-HUUCEWRRSA-N 1 0 339.440 1.833 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CN(C3CC3)CCO2)n1 ZINC000447573906 305282486 /nfs/dbraw/zinc/28/24/86/305282486.db2.gz JOGYPURACDFYBD-ARFHVFGLSA-N 1 0 349.435 1.728 20 5 EDBDRO C[N@H+]1C[C@H]2CN(c3cc(CN4CCOCC4)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC000447814910 305286117 /nfs/dbraw/zinc/28/61/17/305286117.db2.gz AWLNQUGGFMBZJX-IYBDPMFKSA-N 1 0 346.431 1.425 20 5 EDBDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449255525 305309910 /nfs/dbraw/zinc/30/99/10/305309910.db2.gz DVFWMSPCCGTDOM-YSVLISHTSA-N 1 0 338.404 1.936 20 5 EDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449565117 305313723 /nfs/dbraw/zinc/31/37/23/305313723.db2.gz GWMKZIGLZSGJCJ-PZWLIILKSA-N 1 0 325.752 1.350 20 5 EDBDRO C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)[C@H](C)[NH3+] ZINC000449585935 305314777 /nfs/dbraw/zinc/31/47/77/305314777.db2.gz GXWKRUFNTSCBAH-IVZWLZJFSA-N 1 0 340.405 1.113 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000451339616 305340129 /nfs/dbraw/zinc/34/01/29/305340129.db2.gz ILCCVMAOGAJCSM-KLHDSHLOSA-N 1 0 338.408 1.168 20 5 EDBDRO CC[C@@H]1C[N@H+](CC)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451723728 305364652 /nfs/dbraw/zinc/36/46/52/305364652.db2.gz BCLNQJISTQZKPF-ZBFHGGJFSA-N 1 0 337.420 1.751 20 5 EDBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2COCC2(C)C)c([N+](=O)[O-])c1 ZINC000451808803 305370445 /nfs/dbraw/zinc/37/04/45/305370445.db2.gz KKCGPCRRZWRADE-CQSZACIVSA-N 1 0 337.376 1.947 20 5 EDBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1ccc([N+](=O)[O-])cc1Cl ZINC000452396163 305397741 /nfs/dbraw/zinc/39/77/41/305397741.db2.gz XWPSTNCBBIZONW-GFCCVEGCSA-N 1 0 341.795 1.825 20 5 EDBDRO CNc1nc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000456043912 305450543 /nfs/dbraw/zinc/45/05/43/305450543.db2.gz KIPQIVLVNYSZRB-DGCLKSJQSA-N 1 0 333.392 1.730 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)c1ccnn1C ZINC000459716253 305524670 /nfs/dbraw/zinc/52/46/70/305524670.db2.gz PWRHAMCZUPVEHW-RISCZKNCSA-N 1 0 347.375 1.369 20 5 EDBDRO C[C@@H](Cc1ccncc1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000519827527 305776101 /nfs/dbraw/zinc/77/61/01/305776101.db2.gz ZAWGHORPGXEBIL-XJKSGUPXSA-N 1 0 331.372 1.950 20 5 EDBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000521267683 305787559 /nfs/dbraw/zinc/78/75/59/305787559.db2.gz WIHCPGGBBPKQNC-NEPJUHHUSA-N 1 0 327.768 1.936 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000525149259 305822623 /nfs/dbraw/zinc/82/26/23/305822623.db2.gz NBESHFGPKMHIBB-UHFFFAOYSA-N 1 0 345.359 1.346 20 5 EDBDRO COC(=O)Cn1cc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])nn1 ZINC000449201843 447368541 /nfs/dbraw/zinc/36/85/41/447368541.db2.gz JDKTZWHDVZNKHD-NSHDSACASA-N 1 0 333.348 1.080 20 5 EDBDRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000069989728 441102054 /nfs/dbraw/zinc/10/20/54/441102054.db2.gz ZUOOOWGORKCEHG-UHFFFAOYSA-N 1 0 334.376 1.476 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000060113422 441233061 /nfs/dbraw/zinc/23/30/61/441233061.db2.gz DLUBPGLIVRXMBT-CYBMUJFWSA-N 1 0 339.417 1.844 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000048184188 441270040 /nfs/dbraw/zinc/27/00/40/441270040.db2.gz BAEPUXNNSYKGBV-AWEZNQCLSA-N 1 0 331.376 1.080 20 5 EDBDRO CC[NH+]1CCC(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000022238080 441277119 /nfs/dbraw/zinc/27/71/19/441277119.db2.gz ZBFWYWUEGJBQJE-UHFFFAOYSA-N 1 0 348.403 1.315 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000072936506 441277398 /nfs/dbraw/zinc/27/73/98/441277398.db2.gz NCNRKWVWWYIHOM-ZDUSSCGKSA-N 1 0 349.387 1.509 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000061650052 441284262 /nfs/dbraw/zinc/28/42/62/441284262.db2.gz SWHBRGMNXFLMQO-QWHCGFSZSA-N 1 0 335.360 1.196 20 5 EDBDRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000073082742 441291131 /nfs/dbraw/zinc/29/11/31/441291131.db2.gz FPSPFGZSCCJJES-GFCCVEGCSA-N 1 0 349.387 1.367 20 5 EDBDRO CC1CC[NH+](CCCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000049298578 441354416 /nfs/dbraw/zinc/35/44/16/441354416.db2.gz SKGXANJNSHRSCU-UHFFFAOYSA-N 1 0 348.403 1.772 20 5 EDBDRO COc1ccc(CSCC(=O)N(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000085361001 441433786 /nfs/dbraw/zinc/43/37/86/441433786.db2.gz CHYBJGOSHIXUCB-UHFFFAOYSA-N 1 0 341.433 1.857 20 5 EDBDRO Cc1ccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000052850881 441480304 /nfs/dbraw/zinc/48/03/04/441480304.db2.gz ZVYOQRNCABYFDP-UHFFFAOYSA-N 1 0 346.431 1.757 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000108406227 441452457 /nfs/dbraw/zinc/45/24/57/441452457.db2.gz AAPQIFRDABVWKV-GFCCVEGCSA-N 1 0 327.406 1.523 20 5 EDBDRO COC[C@](C)(CCO)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000085903117 441455517 /nfs/dbraw/zinc/45/55/17/441455517.db2.gz LVKUNMRPAOIAFG-HNNXBMFYSA-N 1 0 325.365 1.219 20 5 EDBDRO CO[C@]1(C)C[C@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000076152177 441604488 /nfs/dbraw/zinc/60/44/88/441604488.db2.gz XZWIFAMHLLZRDR-KCQAQPDRSA-N 1 0 326.397 1.288 20 5 EDBDRO C[C@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[N@H+](C)C1CC1 ZINC000067276892 441624060 /nfs/dbraw/zinc/62/40/60/441624060.db2.gz CWWOGWCRIFSHLM-LLVKDONJSA-N 1 0 344.375 1.388 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000055219385 441630583 /nfs/dbraw/zinc/63/05/83/441630583.db2.gz MZBAXVACGNSKNF-UHFFFAOYSA-N 1 0 343.380 1.639 20 5 EDBDRO Cc1nn(C)c(NCc2ccc(N3CC[NH+](C)CC3)nc2)c1[N+](=O)[O-] ZINC000076579840 441659844 /nfs/dbraw/zinc/65/98/44/441659844.db2.gz ZGEXKLSMXUYYGA-UHFFFAOYSA-N 1 0 345.407 1.396 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000041911767 441683332 /nfs/dbraw/zinc/68/33/32/441683332.db2.gz BFBLYTNOBZZQCF-LLVKDONJSA-N 1 0 337.376 1.842 20 5 EDBDRO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000136655651 441711837 /nfs/dbraw/zinc/71/18/37/441711837.db2.gz IONLCHAOIZCZOZ-QMTHXVAHSA-N 1 0 337.376 1.945 20 5 EDBDRO Cc1nn(C)c(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000115415949 441736790 /nfs/dbraw/zinc/73/67/90/441736790.db2.gz UURGBNUBYQZMFI-UHFFFAOYSA-N 1 0 349.366 1.767 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000068961088 441874599 /nfs/dbraw/zinc/87/45/99/441874599.db2.gz FQFHDJCZVZGMIA-ZDUSSCGKSA-N 1 0 341.433 1.994 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000068935599 441871765 /nfs/dbraw/zinc/87/17/65/441871765.db2.gz SWWXWGJVWYCDND-LLVKDONJSA-N 1 0 331.376 1.931 20 5 EDBDRO C[C@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000173713258 441829085 /nfs/dbraw/zinc/82/90/85/441829085.db2.gz YWDNNEUYKDWQCH-CQSZACIVSA-N 1 0 349.435 1.278 20 5 EDBDRO CCc1nn(C)c(NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000094132326 441906729 /nfs/dbraw/zinc/90/67/29/441906729.db2.gz LDTGAYMKDVVLGV-GFCCVEGCSA-N 1 0 325.413 1.659 20 5 EDBDRO CCc1nn(C)c(NC2CC[NH+](C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000094162477 441908981 /nfs/dbraw/zinc/90/89/81/441908981.db2.gz DUIZTQSQWWCFBJ-GFCCVEGCSA-N 1 0 337.424 1.804 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000174019924 441879161 /nfs/dbraw/zinc/87/91/61/441879161.db2.gz ZKYSYOCVCZMCFB-GFCCVEGCSA-N 1 0 327.406 1.557 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000118132428 441890997 /nfs/dbraw/zinc/89/09/97/441890997.db2.gz PQIVQKJPISXPHY-UHFFFAOYSA-N 1 0 348.403 1.832 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1C ZINC000125112603 441987226 /nfs/dbraw/zinc/98/72/26/441987226.db2.gz ACKQVNOHJRJQKX-NWDGAFQWSA-N 1 0 327.406 1.760 20 5 EDBDRO CN(CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000079395489 442044312 /nfs/dbraw/zinc/04/43/12/442044312.db2.gz JBGVWMHHRVRKCB-UHFFFAOYSA-N 1 0 332.404 1.774 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000162113822 442064866 /nfs/dbraw/zinc/06/48/66/442064866.db2.gz RHPYBWDOAKVVBT-CQSZACIVSA-N 1 0 327.406 1.499 20 5 EDBDRO COc1cc(C(=O)NCC[NH+]2CCC(OC)CC2)ccc1[N+](=O)[O-] ZINC000079998859 442105700 /nfs/dbraw/zinc/10/57/00/442105700.db2.gz YYVQDVSNBLJYTC-UHFFFAOYSA-N 1 0 337.376 1.444 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc([N+](=O)[O-])c1 ZINC000163978097 442187200 /nfs/dbraw/zinc/18/72/00/442187200.db2.gz ASWLNCBFGWZHDF-OKILXGFUSA-N 1 0 347.371 1.738 20 5 EDBDRO C[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC000152280297 442192053 /nfs/dbraw/zinc/19/20/53/442192053.db2.gz DIKDCIYSHWWGJQ-UHFFFAOYSA-N 1 0 336.348 1.883 20 5 EDBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000164183476 442192827 /nfs/dbraw/zinc/19/28/27/442192827.db2.gz NCLSZBPXHROCQD-LLVKDONJSA-N 1 0 344.375 1.668 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000127316711 442192885 /nfs/dbraw/zinc/19/28/85/442192885.db2.gz VSQDYNUDTFCIEL-UHFFFAOYSA-N 1 0 341.433 1.890 20 5 EDBDRO CN(C)S(=O)(=O)c1ccc(SCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000153489894 442285399 /nfs/dbraw/zinc/28/53/99/442285399.db2.gz TWENHFHUVDBYEL-UHFFFAOYSA-N 1 0 333.435 1.499 20 5 EDBDRO CC(C)(C)[NH2+]CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000153847464 442306896 /nfs/dbraw/zinc/30/68/96/442306896.db2.gz RLAKCBTWJKGRPQ-UHFFFAOYSA-N 1 0 332.364 1.293 20 5 EDBDRO COC[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000178006132 442400988 /nfs/dbraw/zinc/40/09/88/442400988.db2.gz ILCRNJWKWFDDFA-AWEZNQCLSA-N 1 0 345.421 1.134 20 5 EDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000133760940 442432737 /nfs/dbraw/zinc/43/27/37/442432737.db2.gz NOHQDDPXAHYAFW-GFCCVEGCSA-N 1 0 329.360 1.605 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000186256817 442497735 /nfs/dbraw/zinc/49/77/35/442497735.db2.gz ZTCAXFHLHPRMGT-UHFFFAOYSA-N 1 0 347.368 1.115 20 5 EDBDRO C[C@@H](O)CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000157122656 442551066 /nfs/dbraw/zinc/55/10/66/442551066.db2.gz ZVUAFQPHJMUIOX-NWDGAFQWSA-N 1 0 339.367 1.190 20 5 EDBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCOCC1 ZINC000179844851 442511424 /nfs/dbraw/zinc/51/14/24/442511424.db2.gz KJUVWVTZNORMJC-GFCCVEGCSA-N 1 0 333.388 1.889 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000172982626 442577670 /nfs/dbraw/zinc/57/76/70/442577670.db2.gz APTYQUAXNJIOEZ-AWEZNQCLSA-N 1 0 335.404 1.990 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000179213658 442597961 /nfs/dbraw/zinc/59/79/61/442597961.db2.gz GUBNADLTFFSFKP-JSGCOSHPSA-N 1 0 343.387 1.980 20 5 EDBDRO CCOc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccn[nH]2)cc1[N+](=O)[O-] ZINC000180217539 442560540 /nfs/dbraw/zinc/56/05/40/442560540.db2.gz ADVCDUQNGCJVJG-NSHDSACASA-N 1 0 347.375 1.797 20 5 EDBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000186811773 442616057 /nfs/dbraw/zinc/61/60/57/442616057.db2.gz VLLXGXYAIOHWMO-UHFFFAOYSA-N 1 0 343.387 1.947 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1C ZINC000192917073 442697616 /nfs/dbraw/zinc/69/76/16/442697616.db2.gz OMQMHDWDOUUHKW-BETUJISGSA-N 1 0 339.417 1.394 20 5 EDBDRO C[NH+](C)CCOc1cc(C(=O)NCc2ccccc2[N+](=O)[O-])ccn1 ZINC000136479436 442664362 /nfs/dbraw/zinc/66/43/62/442664362.db2.gz XMXMGYUWLBXDNP-UHFFFAOYSA-N 1 0 344.371 1.860 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N(C)C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000193237277 442725184 /nfs/dbraw/zinc/72/51/84/442725184.db2.gz INIQWQRZNDMLLE-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000193266951 442727807 /nfs/dbraw/zinc/72/78/07/442727807.db2.gz VEVAIDFZQRCYPB-LBPRGKRZSA-N 1 0 327.406 1.442 20 5 EDBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)o1 ZINC000188311220 442736997 /nfs/dbraw/zinc/73/69/97/442736997.db2.gz HLQDEGRBANHWCW-UHFFFAOYSA-N 1 0 348.359 1.801 20 5 EDBDRO COC(=O)c1cc(NCC[N@@H+]2CCCOCC2)cc(C)c1[N+](=O)[O-] ZINC000188499192 442756763 /nfs/dbraw/zinc/75/67/63/442756763.db2.gz OYGSVLMXJNIDPN-UHFFFAOYSA-N 1 0 337.376 1.824 20 5 EDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000182222104 442746984 /nfs/dbraw/zinc/74/69/84/442746984.db2.gz HPYRAWOGRYGHME-WFASDCNBSA-N 1 0 326.393 1.673 20 5 EDBDRO CCOC(=O)c1cc(NCC[N@@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000188501794 442757398 /nfs/dbraw/zinc/75/73/98/442757398.db2.gz WJVXSZVZSHDXNF-UHFFFAOYSA-N 1 0 337.376 1.906 20 5 EDBDRO COCC[N@@H+]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000267986398 442808126 /nfs/dbraw/zinc/80/81/26/442808126.db2.gz YFNOULJCSGTAES-UHFFFAOYSA-N 1 0 335.404 1.708 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000193946488 442817178 /nfs/dbraw/zinc/81/71/78/442817178.db2.gz KVIZXNDEGCRBCI-LBPRGKRZSA-N 1 0 348.403 1.887 20 5 EDBDRO CCN(CCC[NH+](C)C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000188920113 442842063 /nfs/dbraw/zinc/84/20/63/442842063.db2.gz SUXOLLQFNBFCRW-UHFFFAOYSA-N 1 0 346.391 1.589 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000268186556 442889422 /nfs/dbraw/zinc/88/94/22/442889422.db2.gz MFPVNLHOHRJTOF-LKFCYVNXSA-N 1 0 329.360 1.684 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000248585009 442903895 /nfs/dbraw/zinc/90/38/95/442903895.db2.gz FYTLUHYKDIGCLQ-FPMFFAJLSA-N 1 0 325.390 1.094 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000268277765 442928403 /nfs/dbraw/zinc/92/84/03/442928403.db2.gz VDRAJCVMNQGBBR-BXUZGUMPSA-N 1 0 341.433 1.728 20 5 EDBDRO C[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000183476242 442933824 /nfs/dbraw/zinc/93/38/24/442933824.db2.gz ZXEGAGQEKUVXND-BONVTDFDSA-N 1 0 327.356 1.266 20 5 EDBDRO C[C@@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000183476299 442934526 /nfs/dbraw/zinc/93/45/26/442934526.db2.gz ZXEGAGQEKUVXND-MEBBXXQBSA-N 1 0 327.356 1.266 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000268310174 442941956 /nfs/dbraw/zinc/94/19/56/442941956.db2.gz ZDDQTMIYLNNCCW-TZMCWYRMSA-N 1 0 341.433 1.782 20 5 EDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000189462513 442960152 /nfs/dbraw/zinc/96/01/52/442960152.db2.gz FRWXWLITXBKNGJ-BBRMVZONSA-N 1 0 337.420 1.405 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCOC(C)(C)C1 ZINC000194906964 442966597 /nfs/dbraw/zinc/96/65/97/442966597.db2.gz DLNSWASGOSZDSZ-UHFFFAOYSA-N 1 0 337.376 1.444 20 5 EDBDRO CC[C@]1(CO)CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000189673677 442992577 /nfs/dbraw/zinc/99/25/77/442992577.db2.gz VNLJLMOWTAHNIJ-QGZVFWFLSA-N 1 0 333.388 1.721 20 5 EDBDRO NC(=O)c1cc([C@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000266123621 443025324 /nfs/dbraw/zinc/02/53/24/443025324.db2.gz CHJASBLPDRFJMN-ZDUSSCGKSA-N 1 0 343.387 1.839 20 5 EDBDRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184494893 443028942 /nfs/dbraw/zinc/02/89/42/443028942.db2.gz LMWNVZBWHCBPAH-ZDUSSCGKSA-N 1 0 341.433 1.698 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184619000 443050320 /nfs/dbraw/zinc/05/03/20/443050320.db2.gz AYDAWYUFZAFPJE-AWEZNQCLSA-N 1 0 341.433 1.841 20 5 EDBDRO CCC[N@H+](CC)CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184618041 443050345 /nfs/dbraw/zinc/05/03/45/443050345.db2.gz AAKRREFVYOAWKA-UHFFFAOYSA-N 1 0 329.422 1.746 20 5 EDBDRO CCc1ccc([C@H](COC)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000184779175 443075501 /nfs/dbraw/zinc/07/55/01/443075501.db2.gz QZMOIJPWNPBXHX-OCCSQVGLSA-N 1 0 338.364 1.285 20 5 EDBDRO C[C@H](CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000254999472 443081000 /nfs/dbraw/zinc/08/10/00/443081000.db2.gz NXNUJJUBUIFMRM-ZPIQOJFGSA-N 1 0 346.431 1.608 20 5 EDBDRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000184821892 443081287 /nfs/dbraw/zinc/08/12/87/443081287.db2.gz FJENLDNJSKFKCA-NWDGAFQWSA-N 1 0 334.376 1.557 20 5 EDBDRO CC[C@@H](O)C[NH+]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255636981 443105696 /nfs/dbraw/zinc/10/56/96/443105696.db2.gz CZCGZPSQMRLQLU-ZPIQOJFGSA-N 1 0 333.388 1.523 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000261971200 443177605 /nfs/dbraw/zinc/17/76/05/443177605.db2.gz ZCLWHVBADUUQEI-JFGNBEQYSA-N 1 0 343.380 1.482 20 5 EDBDRO COc1ccc(NC(=O)C[N@H+](C)[C@@H](CO)CC(C)C)c([N+](=O)[O-])c1 ZINC000185348822 443187534 /nfs/dbraw/zinc/18/75/34/443187534.db2.gz QDDQSXDTQJTXQK-GFCCVEGCSA-N 1 0 339.392 1.881 20 5 EDBDRO Cc1c(Br)c(N2CCCO[C@@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000313369144 318931426 /nfs/dbraw/zinc/93/14/26/318931426.db2.gz RRVBBLPIIBXKEQ-VIFPVBQESA-N 1 0 345.197 1.615 20 5 EDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000266697485 443211307 /nfs/dbraw/zinc/21/13/07/443211307.db2.gz XERSMNHAKAAGRR-OLZOCXBDSA-N 1 0 341.433 1.917 20 5 EDBDRO Cc1c(C(=O)NC[C@H]([NH3+])C(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000269248156 443249617 /nfs/dbraw/zinc/24/96/17/443249617.db2.gz FHYFPJDBFVESMM-ZDUSSCGKSA-N 1 0 332.364 1.197 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](CC[NH3+])C(F)F)c1C ZINC000383320068 319125260 /nfs/dbraw/zinc/12/52/60/319125260.db2.gz ROKVZRWSEZQZDE-JTQLQIEISA-N 1 0 337.348 1.472 20 5 EDBDRO COC(=O)[C@H]1CN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000411899850 319211429 /nfs/dbraw/zinc/21/14/29/319211429.db2.gz CQXWDWLQTVJTQA-CYBMUJFWSA-N 1 0 337.376 1.140 20 5 EDBDRO CC(C)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC(=O)N1 ZINC000412076111 319223730 /nfs/dbraw/zinc/22/37/30/319223730.db2.gz KTSZKYOIBWZNGL-AWEZNQCLSA-N 1 0 348.403 1.912 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264535675 443316882 /nfs/dbraw/zinc/31/68/82/443316882.db2.gz ZSLZARZFPBXJGO-OAHLLOKOSA-N 1 0 346.387 1.620 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H]2CN2CCOCC2)c1 ZINC000269680388 443393430 /nfs/dbraw/zinc/39/34/30/443393430.db2.gz XXVHJXZUHDLJEF-IRXDYDNUSA-N 1 0 335.404 1.425 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000272630082 443388571 /nfs/dbraw/zinc/38/85/71/443388571.db2.gz NCCONWZDFZFQQK-YGRLFVJLSA-N 1 0 329.360 1.637 20 5 EDBDRO C[NH+](C)C1CCN(CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000267173076 443367407 /nfs/dbraw/zinc/36/74/07/443367407.db2.gz IKGTWCKLDRXMNW-UHFFFAOYSA-N 1 0 335.408 1.132 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272579682 443370617 /nfs/dbraw/zinc/37/06/17/443370617.db2.gz RNWOQTUKOZETBA-JTQLQIEISA-N 1 0 335.389 1.766 20 5 EDBDRO O=C(N1CCN(c2ccccc2[N+](=O)[O-])CC1)C12CCC[NH+]1CCC2 ZINC000278726847 443415512 /nfs/dbraw/zinc/41/55/12/443415512.db2.gz TYCWONYJGSOKBE-UHFFFAOYSA-N 1 0 344.415 1.872 20 5 EDBDRO C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272773112 443439723 /nfs/dbraw/zinc/43/97/23/443439723.db2.gz QXDLSKVAFOQMJV-ZDUSSCGKSA-N 1 0 332.404 1.798 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)Cn2cccn2)c([N+](=O)[O-])c1 ZINC000265027507 443511843 /nfs/dbraw/zinc/51/18/43/443511843.db2.gz FUCRLHRHTDBSJR-LBPRGKRZSA-N 1 0 347.375 1.807 20 5 EDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1 ZINC000423501422 319779302 /nfs/dbraw/zinc/77/93/02/319779302.db2.gz CTJGGYJVIWZGHU-AWEZNQCLSA-N 1 0 349.387 1.986 20 5 EDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2)[N@H+](C)C1 ZINC000286166395 443660342 /nfs/dbraw/zinc/66/03/42/443660342.db2.gz MFCGDDAOQCYTIH-GJZGRUSLSA-N 1 0 336.392 1.455 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000438513668 320034679 /nfs/dbraw/zinc/03/46/79/320034679.db2.gz CTIOIBRNPRUWBZ-UHFFFAOYSA-N 1 0 343.387 1.995 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000440353686 320073449 /nfs/dbraw/zinc/07/34/49/320073449.db2.gz IYEIPQSSXDEQTG-OLZOCXBDSA-N 1 0 341.433 1.878 20 5 EDBDRO COc1cc(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000286193317 443665920 /nfs/dbraw/zinc/66/59/20/443665920.db2.gz RXJWBJGNZYDNTC-IMSIIYSGSA-N 1 0 337.376 1.728 20 5 EDBDRO COc1cc(OCC(=O)N[C@@H]2C[NH2+]CCC2(F)F)ccc1[N+](=O)[O-] ZINC000449659769 320197120 /nfs/dbraw/zinc/19/71/20/320197120.db2.gz DNTYRMNPNIVUOB-GFCCVEGCSA-N 1 0 345.302 1.096 20 5 EDBDRO COc1cc(OCC(=O)N[C@H]2C[NH2+]CCC2(F)F)ccc1[N+](=O)[O-] ZINC000449659770 320197178 /nfs/dbraw/zinc/19/71/78/320197178.db2.gz DNTYRMNPNIVUOB-LBPRGKRZSA-N 1 0 345.302 1.096 20 5 EDBDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1c([N+](=O)[O-])ncn1C ZINC000491202558 320366781 /nfs/dbraw/zinc/36/67/81/320366781.db2.gz QCMWFMSTWVUWMQ-QGZVFWFLSA-N 1 0 345.403 1.402 20 5 EDBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280225081 443678030 /nfs/dbraw/zinc/67/80/30/443678030.db2.gz APQYRZNFAMXSHZ-QLJPJBMISA-N 1 0 345.359 1.903 20 5 EDBDRO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000280249409 443682992 /nfs/dbraw/zinc/68/29/92/443682992.db2.gz NCVBMZSLWRFTQN-INIZCTEOSA-N 1 0 331.372 1.811 20 5 EDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000516964757 320444100 /nfs/dbraw/zinc/44/41/00/320444100.db2.gz JKPSKQZKENHRPI-ZDUSSCGKSA-N 1 0 330.348 1.041 20 5 EDBDRO NC(=O)c1ccnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000290926607 443712717 /nfs/dbraw/zinc/71/27/17/443712717.db2.gz JARTZQSZNMXLCM-BXUZGUMPSA-N 1 0 345.403 1.542 20 5 EDBDRO COC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000280728904 443743084 /nfs/dbraw/zinc/74/30/84/443743084.db2.gz LASWIETXTFHYGO-IJLUTSLNSA-N 1 0 335.360 1.663 20 5 EDBDRO C[C@@]1(C(N)=O)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000280830262 443753522 /nfs/dbraw/zinc/75/35/22/443753522.db2.gz VVSNRXUSWHEGBV-OAHLLOKOSA-N 1 0 338.339 1.260 20 5 EDBDRO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000298364276 443754477 /nfs/dbraw/zinc/75/44/77/443754477.db2.gz ZTAUQPHDLFYBJV-OAHLLOKOSA-N 1 0 326.393 1.829 20 5 EDBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000280859719 443760606 /nfs/dbraw/zinc/76/06/06/443760606.db2.gz INNQNHMWZMXNNI-OAHLLOKOSA-N 1 0 325.340 1.701 20 5 EDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000285070305 443844961 /nfs/dbraw/zinc/84/49/61/443844961.db2.gz CNVAKXKJGORSIU-UONOGXRCSA-N 1 0 349.387 1.539 20 5 EDBDRO Cc1c(NC(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)cccc1[N+](=O)[O-] ZINC000292669273 443812580 /nfs/dbraw/zinc/81/25/80/443812580.db2.gz DIFJMNVUKVVOAY-IUODEOHRSA-N 1 0 336.392 1.822 20 5 EDBDRO CN(CCC[NH+](C)C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000540516581 320761078 /nfs/dbraw/zinc/76/10/78/320761078.db2.gz NZWDJVZEXBWUDO-UHFFFAOYSA-N 1 0 332.364 1.199 20 5 EDBDRO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000299002078 443925691 /nfs/dbraw/zinc/92/56/91/443925691.db2.gz CKCKFSJHADFVRV-CQSZACIVSA-N 1 0 343.387 1.641 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000299209572 443983141 /nfs/dbraw/zinc/98/31/41/443983141.db2.gz HIBQOINTPXKGQK-IUODEOHRSA-N 1 0 348.403 1.559 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000277472991 443987307 /nfs/dbraw/zinc/98/73/07/443987307.db2.gz NLUTYRAXHKRQCR-AAEUAGOBSA-N 1 0 337.376 1.947 20 5 EDBDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000293344673 443989454 /nfs/dbraw/zinc/98/94/54/443989454.db2.gz ZZUCAFUIQZOFFW-VIFPVBQESA-N 1 0 342.783 1.501 20 5 EDBDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000285462222 443993924 /nfs/dbraw/zinc/99/39/24/443993924.db2.gz JVESBJWITYXKEF-RYUDHWBXSA-N 1 0 347.462 1.854 20 5 EDBDRO Cc1[nH]nc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000299446713 444048748 /nfs/dbraw/zinc/04/87/48/444048748.db2.gz NVQDRIWRADGSHC-ZDUSSCGKSA-N 1 0 329.360 1.755 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000299347865 444024073 /nfs/dbraw/zinc/02/40/73/444024073.db2.gz MWXZPQIJASRKBJ-CQSZACIVSA-N 1 0 331.376 1.519 20 5 EDBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000282025385 444065751 /nfs/dbraw/zinc/06/57/51/444065751.db2.gz SPDYNHLCVTZFTJ-CYBMUJFWSA-N 1 0 343.387 1.982 20 5 EDBDRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293855400 444092311 /nfs/dbraw/zinc/09/23/11/444092311.db2.gz UIYDWGXTZASPDZ-NSHDSACASA-N 1 0 344.437 1.499 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)c1 ZINC000564852912 321151447 /nfs/dbraw/zinc/15/14/47/321151447.db2.gz UNAKLABDPOAELR-MXASKKJJSA-N 1 0 328.372 1.470 20 5 EDBDRO O=C(CCN1CC[NH2+]C[C@@H]1C(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000565659264 321195855 /nfs/dbraw/zinc/19/58/55/321195855.db2.gz WYQKZEMSGUUKND-GFCCVEGCSA-N 1 0 328.319 1.462 20 5 EDBDRO COc1ccncc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567696345 321253799 /nfs/dbraw/zinc/25/37/99/321253799.db2.gz ZQOJLTIZBWJYKT-ZDUSSCGKSA-N 1 0 333.344 1.528 20 5 EDBDRO CS[C@H](CO)[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567877548 321264472 /nfs/dbraw/zinc/26/44/72/321264472.db2.gz PXCBBLQHGNAVGE-UHIISALHSA-N 1 0 330.406 1.037 20 5 EDBDRO CNc1ccc(C(=O)NCCC[NH2+]Cc2cccnc2)cc1[N+](=O)[O-] ZINC000568746175 321304643 /nfs/dbraw/zinc/30/46/43/321304643.db2.gz HDIKGSBWXUJXRW-UHFFFAOYSA-N 1 0 343.387 1.941 20 5 EDBDRO Cc1c(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cnn1C ZINC000569068282 321317184 /nfs/dbraw/zinc/31/71/84/321317184.db2.gz WXRCNUBSRRDFSB-HNNXBMFYSA-N 1 0 334.376 1.508 20 5 EDBDRO O=c1[nH]c(N2CCC3(CC[NH2+]C3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000569096130 321318579 /nfs/dbraw/zinc/31/85/79/321318579.db2.gz LTUZLGNKXDOXBQ-UHFFFAOYSA-N 1 0 329.360 1.824 20 5 EDBDRO O=C(NCC1CC[NH2+]CC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000570928940 321364161 /nfs/dbraw/zinc/36/41/61/321364161.db2.gz USDIWNCYLDOADM-UHFFFAOYSA-N 1 0 346.431 1.927 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000301360061 444166989 /nfs/dbraw/zinc/16/69/89/444166989.db2.gz OLAURXGTSAYXSF-ZLKJLUDKSA-N 1 0 331.376 1.009 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000299719409 444123877 /nfs/dbraw/zinc/12/38/77/444123877.db2.gz SBODECJKJPBOLY-UHFFFAOYSA-N 1 0 348.403 1.703 20 5 EDBDRO CN1CCN(c2cc(NCc3cccc([N+](=O)[O-])c3)ncn2)CC1=O ZINC000302564863 444216387 /nfs/dbraw/zinc/21/63/87/444216387.db2.gz MUXXJAIBQFSMLL-UHFFFAOYSA-N 1 0 342.359 1.275 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000301483182 444174667 /nfs/dbraw/zinc/17/46/67/444174667.db2.gz XQTXPJQWJOERDG-GFCCVEGCSA-N 1 0 333.392 1.765 20 5 EDBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000295306716 444176553 /nfs/dbraw/zinc/17/65/53/444176553.db2.gz BLNPDRHRPRFGKY-GFCCVEGCSA-N 1 0 346.387 1.653 20 5 EDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C[C@@H]1[NH+](C)C ZINC000301788569 444190531 /nfs/dbraw/zinc/19/05/31/444190531.db2.gz MFFVJBBRIWEDOJ-MFKMUULPSA-N 1 0 327.406 1.385 20 5 EDBDRO CCOc1ccc([C@@H](C)[NH2+]CCCn2cc(CO)nn2)cc1[N+](=O)[O-] ZINC000289693536 444191993 /nfs/dbraw/zinc/19/19/93/444191993.db2.gz IGSCSXATEHBLGT-GFCCVEGCSA-N 1 0 349.391 1.818 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000302104756 444204355 /nfs/dbraw/zinc/20/43/55/444204355.db2.gz RMZOZEDUZBIRLA-NWDGAFQWSA-N 1 0 337.376 1.273 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290225672 444256176 /nfs/dbraw/zinc/25/61/76/444256176.db2.gz UDWWZQOZWDLBKW-MNOVXSKESA-N 1 0 333.344 1.048 20 5 EDBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000576696475 321588149 /nfs/dbraw/zinc/58/81/49/321588149.db2.gz RGYPFDWJSWYPDL-GFCCVEGCSA-N 1 0 334.376 1.055 20 5 EDBDRO CN(CC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccccc1[N+](=O)[O-] ZINC000290258861 444260276 /nfs/dbraw/zinc/26/02/76/444260276.db2.gz XGFATQBGXLEPLA-OAHLLOKOSA-N 1 0 346.431 1.879 20 5 EDBDRO C[N@@H+]1CCC[C@H](N2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000305176556 444263220 /nfs/dbraw/zinc/26/32/20/444263220.db2.gz LPSJLJCWGUMNAP-ZWKOTPCHSA-N 1 0 348.447 1.340 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000318950268 444321796 /nfs/dbraw/zinc/32/17/96/444321796.db2.gz UNCFWKTVJQTMDY-GFCCVEGCSA-N 1 0 327.406 1.666 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)C[NH3+] ZINC000319424122 444324191 /nfs/dbraw/zinc/32/41/91/444324191.db2.gz FXWSCHBHSIBXCV-BXUZGUMPSA-N 1 0 327.406 1.341 20 5 EDBDRO CCC[N@H+](CCO)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000297898157 444351769 /nfs/dbraw/zinc/35/17/69/444351769.db2.gz OPVNWVLHXRQADX-UHFFFAOYSA-N 1 0 325.365 1.636 20 5 EDBDRO CC(C)(O)C[NH+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000325531383 444367096 /nfs/dbraw/zinc/36/70/96/444367096.db2.gz QVKHFHYDPHOWFL-UHFFFAOYSA-N 1 0 331.376 1.431 20 5 EDBDRO O=C(CC[C@@H]1CCC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000326442937 444374521 /nfs/dbraw/zinc/37/45/21/444374521.db2.gz HOEAELPZRYAKDG-ZDUSSCGKSA-N 1 0 333.392 1.171 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N(C)CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000331126522 444405647 /nfs/dbraw/zinc/40/56/47/444405647.db2.gz OXFYQBVNRZMGAM-UHFFFAOYSA-N 1 0 341.433 1.928 20 5 EDBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCNc1cc[nH+]cc1 ZINC000340511207 444419436 /nfs/dbraw/zinc/41/94/36/444419436.db2.gz FNMFPENZGQTFJN-UHFFFAOYSA-N 1 0 339.355 1.664 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]C[C@@H]1C(F)F ZINC000579354541 321925073 /nfs/dbraw/zinc/92/50/73/321925073.db2.gz CTMYPTLTLHFIQT-GFCCVEGCSA-N 1 0 328.319 1.381 20 5 EDBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1OC ZINC000581007397 322123233 /nfs/dbraw/zinc/12/32/33/322123233.db2.gz IGZXLKNINZQLTG-RKLWJJNISA-N 1 0 340.376 1.117 20 5 EDBDRO C[C@@H]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@H]1C[NH3+] ZINC000581879142 322227021 /nfs/dbraw/zinc/22/70/21/322227021.db2.gz PPIRUXVNAUOPHU-GRYCIOLGSA-N 1 0 349.387 1.811 20 5 EDBDRO C[N@H+]1CC=C(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000332488014 444517269 /nfs/dbraw/zinc/51/72/69/444517269.db2.gz NZVDKRKHELBIMG-UHFFFAOYSA-N 1 0 333.344 1.358 20 5 EDBDRO CO[C@@H]1C[C@H](CN(C)c2nc(-c3ccc([N+](=O)[O-])cc3)no2)[N@H+](C)C1 ZINC000343873193 444639654 /nfs/dbraw/zinc/63/96/54/444639654.db2.gz HIZJYRRJZHNFTK-ZIAGYGMSSA-N 1 0 347.375 1.800 20 5 EDBDRO CC[NH+]1CCN(CCC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000338334428 444641240 /nfs/dbraw/zinc/64/12/40/444641240.db2.gz QDYYKHVSSJJHOO-UHFFFAOYSA-N 1 0 348.447 1.623 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3C[C@@H]4CC[C@H](O)[C@H]4C3)n2)cc1 ZINC000344031703 444740204 /nfs/dbraw/zinc/74/02/04/444740204.db2.gz CUANVGKVBXKIDT-UBHSHLNASA-N 1 0 330.344 1.848 20 5 EDBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1ccc(F)cc1[N+](=O)[O-] ZINC000341266670 444753949 /nfs/dbraw/zinc/75/39/49/444753949.db2.gz BRUFENZAPOBGHW-UHFFFAOYSA-N 1 0 327.275 2.567 20 5 EDBDRO CC1(CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]CC1 ZINC000342593853 444763418 /nfs/dbraw/zinc/76/34/18/444763418.db2.gz QRMKXPDUTWTHLC-UHFFFAOYSA-N 1 0 349.387 1.414 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3C[C@@H]4CC[C@@H](O)[C@H]4C3)n2)c1 ZINC000344069293 444763543 /nfs/dbraw/zinc/76/35/43/444763543.db2.gz QXEIXOBQMCEHMX-FPMFFAJLSA-N 1 0 330.344 1.848 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000338636096 444785994 /nfs/dbraw/zinc/78/59/94/444785994.db2.gz JEDHNGJUSKGJOW-ZDUSSCGKSA-N 1 0 346.387 1.633 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344435963 444969208 /nfs/dbraw/zinc/96/92/08/444969208.db2.gz FEOBXFNGVPQYNM-LBPRGKRZSA-N 1 0 338.383 1.490 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])CC2)CCO1 ZINC000341726554 444973076 /nfs/dbraw/zinc/97/30/76/444973076.db2.gz HNVBRBRNWYACBJ-GFCCVEGCSA-N 1 0 348.403 1.383 20 5 EDBDRO CC[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000330522196 445017215 /nfs/dbraw/zinc/01/72/15/445017215.db2.gz MEGMEZKJQGXFGT-AWEZNQCLSA-N 1 0 342.417 1.575 20 5 EDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000330589700 445050211 /nfs/dbraw/zinc/05/02/11/445050211.db2.gz NOGSSERPNKZBDS-STQMWFEESA-N 1 0 348.403 1.266 20 5 EDBDRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000330613448 445061710 /nfs/dbraw/zinc/06/17/10/445061710.db2.gz SCRKVCZIXJXVFF-QWRGUYRKSA-N 1 0 333.435 1.606 20 5 EDBDRO Cn1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)ccc1[N+](=O)[O-] ZINC000339637571 445155855 /nfs/dbraw/zinc/15/58/55/445155855.db2.gz FAQUJPOZHUPNHG-UHFFFAOYSA-N 1 0 344.375 1.332 20 5 EDBDRO Cc1sc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000343528588 445239150 /nfs/dbraw/zinc/23/91/50/445239150.db2.gz ALUGBYLIMDEBFQ-QWRGUYRKSA-N 1 0 345.446 1.870 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000351832758 445337305 /nfs/dbraw/zinc/33/73/05/445337305.db2.gz ZIVYEAXPIZBLSI-QWRGUYRKSA-N 1 0 335.360 1.104 20 5 EDBDRO CC[C@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000354709718 445346996 /nfs/dbraw/zinc/34/69/96/445346996.db2.gz KCGXHWGXWFLBHU-GJZGRUSLSA-N 1 0 348.403 1.420 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000354716055 445349020 /nfs/dbraw/zinc/34/90/20/445349020.db2.gz UGTGZQSWGJVFPU-JSGCOSHPSA-N 1 0 348.403 1.339 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000351903398 445365540 /nfs/dbraw/zinc/36/55/40/445365540.db2.gz XPVMFRYNGWODIX-GFCCVEGCSA-N 1 0 327.406 1.536 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357093789 445424286 /nfs/dbraw/zinc/42/42/86/445424286.db2.gz YSNBPUBBPCMECY-NEPJUHHUSA-N 1 0 334.376 1.083 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](CO)c2ccsc2)c1 ZINC000352019507 445443730 /nfs/dbraw/zinc/44/37/30/445443730.db2.gz FPKMGNMLRZLOOP-HIFRSBDPSA-N 1 0 338.385 1.719 20 5 EDBDRO CCSCCN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000348937322 445448374 /nfs/dbraw/zinc/44/83/74/445448374.db2.gz VUFBLSPQIOBENQ-UHFFFAOYSA-N 1 0 347.462 1.517 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](CCO)CC2CCCCC2)c1 ZINC000362596523 445456035 /nfs/dbraw/zinc/45/60/35/445456035.db2.gz OASZSGRSKCUFJX-OAHLLOKOSA-N 1 0 326.397 1.027 20 5 EDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000362812077 445560532 /nfs/dbraw/zinc/56/05/32/445560532.db2.gz AEKVNSXQNYOAQX-HOTGVXAUSA-N 1 0 333.388 1.507 20 5 EDBDRO C[NH+]1CCC(CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000362815071 445562824 /nfs/dbraw/zinc/56/28/24/445562824.db2.gz SOEWUFCZENSULT-CQSZACIVSA-N 1 0 347.419 1.735 20 5 EDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357316966 445545320 /nfs/dbraw/zinc/54/53/20/445545320.db2.gz PWNGFHPIELUPDU-HSMVNMDESA-N 1 0 343.387 1.897 20 5 EDBDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000358281975 445615383 /nfs/dbraw/zinc/61/53/83/445615383.db2.gz DQOJYGYWNVSZCA-RYUDHWBXSA-N 1 0 331.376 1.998 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000356138876 445642016 /nfs/dbraw/zinc/64/20/16/445642016.db2.gz DRUCAUMBXOFQPW-HNNXBMFYSA-N 1 0 343.387 1.895 20 5 EDBDRO C[NH+](C)CCN1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000363016032 445650002 /nfs/dbraw/zinc/65/00/02/445650002.db2.gz OOAXSXBJIIBRPG-UHFFFAOYSA-N 1 0 349.435 1.103 20 5 EDBDRO CC[NH+]1CCN([C@H](C)CNc2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000356195163 445670461 /nfs/dbraw/zinc/67/04/61/445670461.db2.gz SFOODJFNVZOTQM-LLVKDONJSA-N 1 0 325.388 1.754 20 5 EDBDRO C[C@H](CC[NH3+])NC(=O)CCCn1c2ccc([N+](=O)[O-])cc2oc1=O ZINC000349933937 445726306 /nfs/dbraw/zinc/72/63/06/445726306.db2.gz GFWKBUSMXHJIFM-SNVBAGLBSA-N 1 0 336.348 1.136 20 5 EDBDRO C[C@@H](CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])[NH+](C)C ZINC000358707816 445732055 /nfs/dbraw/zinc/73/20/55/445732055.db2.gz MOJDKTCTXGLFHM-LBPRGKRZSA-N 1 0 336.392 1.429 20 5 EDBDRO COCC(=O)N1CCC([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000358732473 445749593 /nfs/dbraw/zinc/74/95/93/445749593.db2.gz QKTKYAHZMJFYGJ-UHFFFAOYSA-N 1 0 337.376 1.330 20 5 EDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363325929 445767165 /nfs/dbraw/zinc/76/71/65/445767165.db2.gz MTWCKUFZVKCPNS-KGLIPLIRSA-N 1 0 349.387 1.343 20 5 EDBDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000361573363 445826276 /nfs/dbraw/zinc/82/62/76/445826276.db2.gz ZXGKRSBMMDKAOH-OAHLLOKOSA-N 1 0 331.332 1.342 20 5 EDBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356463231 445804719 /nfs/dbraw/zinc/80/47/19/445804719.db2.gz UVVRGNXWNVSEAB-VXGBXAGGSA-N 1 0 337.424 1.815 20 5 EDBDRO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000358920923 445849069 /nfs/dbraw/zinc/84/90/69/445849069.db2.gz ODPFJRKIBZOFJW-JTQLQIEISA-N 1 0 329.303 1.972 20 5 EDBDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000363540767 445850266 /nfs/dbraw/zinc/85/02/66/445850266.db2.gz AYTQWLIBJODGCN-AGIUHOORSA-N 1 0 337.376 1.807 20 5 EDBDRO COc1cc(OCC(=O)N2CC[N@H+](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000354006966 445851729 /nfs/dbraw/zinc/85/17/29/445851729.db2.gz ODRHUMJMLDXREY-GFCCVEGCSA-N 1 0 337.376 1.535 20 5 EDBDRO O=C(CC[C@H]1CC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000392648865 325739306 /nfs/dbraw/zinc/73/93/06/325739306.db2.gz MKJDMRCYCMAUOH-ZDUSSCGKSA-N 1 0 333.392 1.028 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@]1([NH+](C)C)CCSC1 ZINC000359034098 445899926 /nfs/dbraw/zinc/89/99/26/445899926.db2.gz XQXFTNCHQGQQNH-OAHLLOKOSA-N 1 0 338.433 1.804 20 5 EDBDRO Cc1c(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000369275056 446040358 /nfs/dbraw/zinc/04/03/58/446040358.db2.gz VACNYKHRQFBNDR-CQSZACIVSA-N 1 0 346.431 1.802 20 5 EDBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000583459604 326077505 /nfs/dbraw/zinc/07/75/05/326077505.db2.gz RWHMZBUGXIQHRZ-AWEZNQCLSA-N 1 0 337.424 1.823 20 5 EDBDRO Cc1cc(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc([N+](=O)[O-])c1 ZINC000583498965 326085261 /nfs/dbraw/zinc/08/52/61/326085261.db2.gz GJVYAQSBOSQYKX-CQSZACIVSA-N 1 0 344.375 1.431 20 5 EDBDRO C[C@H](O)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000583631173 326108205 /nfs/dbraw/zinc/10/82/05/326108205.db2.gz LROSSFSBVNAJCH-JVLSTEMRSA-N 1 0 338.339 1.003 20 5 EDBDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000584057976 326192467 /nfs/dbraw/zinc/19/24/67/326192467.db2.gz CUXPCJMJKNADIV-UHFFFAOYSA-N 1 0 345.403 1.922 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000356853105 446072824 /nfs/dbraw/zinc/07/28/24/446072824.db2.gz NTZMODFHRFJTLK-YNEHKIRRSA-N 1 0 348.403 1.264 20 5 EDBDRO Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000366196803 446077702 /nfs/dbraw/zinc/07/77/02/446077702.db2.gz QUQSWXODLZGELD-HNNXBMFYSA-N 1 0 333.388 1.886 20 5 EDBDRO O=[N+]([O-])c1ccccc1OCCN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000361941714 446090076 /nfs/dbraw/zinc/09/00/76/446090076.db2.gz SWZHBELUJZTZIZ-GDBMZVCRSA-N 1 0 335.404 1.505 20 5 EDBDRO O=C1CCCN1CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000351490919 446093725 /nfs/dbraw/zinc/09/37/25/446093725.db2.gz GEAXVQUEKVCOFH-KGLIPLIRSA-N 1 0 335.408 1.877 20 5 EDBDRO [NH3+][C@@H]1CC[C@H]2CN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@@H]12 ZINC000351501978 446107096 /nfs/dbraw/zinc/10/70/96/446107096.db2.gz YPOIPVRPFBUUON-IACUBPJLSA-N 1 0 329.360 1.814 20 5 EDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000354397463 446175725 /nfs/dbraw/zinc/17/57/25/446175725.db2.gz OFFKQSVPKZDOKS-QWHCGFSZSA-N 1 0 336.392 1.088 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365550763 446251266 /nfs/dbraw/zinc/25/12/66/446251266.db2.gz KLZIAHPAHHMKHI-APHBMKBZSA-N 1 0 330.388 1.855 20 5 EDBDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000370425720 446273081 /nfs/dbraw/zinc/27/30/81/446273081.db2.gz UHWIZARCJYFGLW-QGZVFWFLSA-N 1 0 346.431 1.835 20 5 EDBDRO C[NH+]1CCN([C@H]2CCCCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000370600177 446351499 /nfs/dbraw/zinc/35/14/99/446351499.db2.gz UNQANKDDILPBGC-HNNXBMFYSA-N 1 0 347.419 1.232 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000370674384 446381677 /nfs/dbraw/zinc/38/16/77/446381677.db2.gz UYVGILIUTCNSNC-VXGBXAGGSA-N 1 0 325.390 1.133 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000418083933 446436102 /nfs/dbraw/zinc/43/61/02/446436102.db2.gz NRXQZOSQLPDRTA-MNOVXSKESA-N 1 0 346.391 1.740 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420315131 446480207 /nfs/dbraw/zinc/48/02/07/446480207.db2.gz WKHULGCBCPKAQF-NXEZZACHSA-N 1 0 326.784 1.856 20 5 EDBDRO CC[C@@](C)([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(N)=O ZINC000411384782 446512563 /nfs/dbraw/zinc/51/25/63/446512563.db2.gz GAMVHCAGWYWYJK-OAHLLOKOSA-N 1 0 338.364 1.176 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420342893 446515827 /nfs/dbraw/zinc/51/58/27/446515827.db2.gz QKVGYPFJWHLLLA-SWLSCSKDSA-N 1 0 348.403 1.616 20 5 EDBDRO C[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000367174952 446519268 /nfs/dbraw/zinc/51/92/68/446519268.db2.gz XYRMWWIIRYVDTD-ZDUSSCGKSA-N 1 0 333.436 1.782 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@H]21 ZINC000375024812 446523302 /nfs/dbraw/zinc/52/33/02/446523302.db2.gz YADZMHCIEAMINZ-MLGOLLRUSA-N 1 0 333.388 1.987 20 5 EDBDRO C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000367738525 446582494 /nfs/dbraw/zinc/58/24/94/446582494.db2.gz KDAGGXMZUQCXCU-AQVLZCAOSA-N 1 0 345.399 1.930 20 5 EDBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000420411024 446584730 /nfs/dbraw/zinc/58/47/30/446584730.db2.gz BEMKUMPLSQCACJ-CQSZACIVSA-N 1 0 341.433 1.446 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCNC[C@@H]2c2ccncc2)c1 ZINC000420459764 446638496 /nfs/dbraw/zinc/63/84/96/446638496.db2.gz LWAVVDTZNMHSBN-OAHLLOKOSA-N 1 0 348.384 1.325 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)ccc1[N+](=O)[O-] ZINC000376677977 446646357 /nfs/dbraw/zinc/64/63/57/446646357.db2.gz FDKGFNCUGSPFNN-DGCLKSJQSA-N 1 0 325.390 1.276 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418744527 446664765 /nfs/dbraw/zinc/66/47/65/446664765.db2.gz FDDFDZOAQSFWEM-LBPRGKRZSA-N 1 0 328.319 1.733 20 5 EDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCn2ccnc2C1 ZINC000368077899 446625561 /nfs/dbraw/zinc/62/55/61/446625561.db2.gz ZNNQXEPPFPPYSX-ZDUSSCGKSA-N 1 0 331.376 1.147 20 5 EDBDRO Cc1noc(C)c1CO[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000375179410 446626362 /nfs/dbraw/zinc/62/63/62/446626362.db2.gz XANCDRRDEAJFEB-CYBMUJFWSA-N 1 0 335.364 1.687 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000420454369 446631712 /nfs/dbraw/zinc/63/17/12/446631712.db2.gz YCPWEFKDJDPYFG-LLVKDONJSA-N 1 0 343.405 1.414 20 5 EDBDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000368188019 446695416 /nfs/dbraw/zinc/69/54/16/446695416.db2.gz KCHQCWIJKIPCLF-DZGCQCFKSA-N 1 0 333.388 1.419 20 5 EDBDRO C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000418788550 446703876 /nfs/dbraw/zinc/70/38/76/446703876.db2.gz VWKQGEZOOONVIK-YUTCNCBUSA-N 1 0 346.387 1.125 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N[C@H]2CC[NH2+]CC2(C)C)ccc1[N+](=O)[O-] ZINC000423749663 446678913 /nfs/dbraw/zinc/67/89/13/446678913.db2.gz TXMRFOQFROFXHP-AWEZNQCLSA-N 1 0 348.403 1.137 20 5 EDBDRO COc1ccc(CSCC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000423968212 446800492 /nfs/dbraw/zinc/80/04/92/446800492.db2.gz YLYNNGRNAKPUGB-JQWIXIFHSA-N 1 0 339.417 1.642 20 5 EDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423943993 446791387 /nfs/dbraw/zinc/79/13/87/446791387.db2.gz DQJZGAKEORGGCR-UHFFFAOYSA-N 1 0 346.431 1.470 20 5 EDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000423991133 446811018 /nfs/dbraw/zinc/81/10/18/446811018.db2.gz LFFDVDKUBPCHSB-JQWIXIFHSA-N 1 0 325.390 1.180 20 5 EDBDRO Cc1cc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000368391099 446833276 /nfs/dbraw/zinc/83/32/76/446833276.db2.gz VLWFAOZLFBHGQC-JKSUJKDBSA-N 1 0 348.403 1.966 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C[C@@]1(C)C[NH3+] ZINC000423978717 446803475 /nfs/dbraw/zinc/80/34/75/446803475.db2.gz AMPGZDVUZYLYAM-BDJLRTHQSA-N 1 0 344.375 1.232 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CCN1C1CC[NH+](C)CC1 ZINC000371465756 446873954 /nfs/dbraw/zinc/87/39/54/446873954.db2.gz HRFIAPMRSUBTRC-CQSZACIVSA-N 1 0 346.431 1.835 20 5 EDBDRO CC(=O)N[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000420987280 446965077 /nfs/dbraw/zinc/96/50/77/446965077.db2.gz NUNQHJMDLSKIKY-CYBMUJFWSA-N 1 0 334.376 1.442 20 5 EDBDRO CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000377238687 447014570 /nfs/dbraw/zinc/01/45/70/447014570.db2.gz AIKOVUXBHFIULI-INIZCTEOSA-N 1 0 335.404 1.705 20 5 EDBDRO CC[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000419169338 446985372 /nfs/dbraw/zinc/98/53/72/446985372.db2.gz RFECMEVJRQEGPW-HUUCEWRRSA-N 1 0 348.403 1.373 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000419273943 447049267 /nfs/dbraw/zinc/04/92/67/447049267.db2.gz RAOKRUJGEOIKHN-MBNYWOFBSA-N 1 0 348.403 1.337 20 5 EDBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])CC2)C1 ZINC000375758533 447026607 /nfs/dbraw/zinc/02/66/07/447026607.db2.gz OVZUPRDIHPMROB-ZDUSSCGKSA-N 1 0 348.403 1.152 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000375831070 447088096 /nfs/dbraw/zinc/08/80/96/447088096.db2.gz MIDAXZPHKRTLJH-GDBMZVCRSA-N 1 0 332.404 1.873 20 5 EDBDRO C[N@H+]1C[C@H]2CN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000375928317 447154445 /nfs/dbraw/zinc/15/44/45/447154445.db2.gz RVTYNPGQFOZEGI-PHIMTYICSA-N 1 0 341.770 1.950 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000425500510 447194605 /nfs/dbraw/zinc/19/46/05/447194605.db2.gz MANYUOQQRVEONG-HUUCEWRRSA-N 1 0 347.375 1.263 20 5 EDBDRO C[NH+]1CCC(CNc2ccccc2[N+](=O)[O-])(N2CCOCC2)CC1 ZINC000413481212 447195711 /nfs/dbraw/zinc/19/57/11/447195711.db2.gz NBHKMKHXAASFBP-UHFFFAOYSA-N 1 0 334.420 1.803 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)n1 ZINC000425551345 447227801 /nfs/dbraw/zinc/22/78/01/447227801.db2.gz XRMAETIKFBNELK-OAHLLOKOSA-N 1 0 338.408 1.339 20 5 EDBDRO CNc1nc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000456009955 447284240 /nfs/dbraw/zinc/28/42/40/447284240.db2.gz KDYKURYANOHVBZ-YPMHNXCESA-N 1 0 333.392 1.588 20 5 EDBDRO Cc1nc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ncc1[N+](=O)[O-] ZINC000450405147 447480028 /nfs/dbraw/zinc/48/00/28/447480028.db2.gz PLZHXKQGEMJDQF-YIONKMFJSA-N 1 0 346.435 1.440 20 5 EDBDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000415506259 447486172 /nfs/dbraw/zinc/48/61/72/447486172.db2.gz ZOGHTTWOPBETAS-NSHDSACASA-N 1 0 338.364 1.176 20 5 EDBDRO O=[N+]([O-])c1ccc2c(ccnc2NC[C@@H]2CCC[N@H+]2CCCO)c1 ZINC000450593400 447533110 /nfs/dbraw/zinc/53/31/10/447533110.db2.gz IIUYOJLGIAIQBP-HNNXBMFYSA-N 1 0 330.388 2.402 20 5 EDBDRO CC(=O)c1cc(N2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000420168643 447651607 /nfs/dbraw/zinc/65/16/07/447651607.db2.gz QMFPUTJBAFSJOV-LBPRGKRZSA-N 1 0 334.376 1.089 20 5 EDBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420154924 447643129 /nfs/dbraw/zinc/64/31/29/447643129.db2.gz JOZVASCWJZFXGL-GFCCVEGCSA-N 1 0 348.403 1.200 20 5 EDBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)[C@@H]1CCC[NH2+]C1 ZINC000420160197 447645334 /nfs/dbraw/zinc/64/53/34/447645334.db2.gz ISHOMSJGTNKOQZ-VHSXEESVSA-N 1 0 328.394 1.042 20 5 EDBDRO C[C@@H]1NC(=O)N(CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1=O ZINC000459373817 447648686 /nfs/dbraw/zinc/64/86/86/447648686.db2.gz NLEBPZNFDQEBNJ-NSHDSACASA-N 1 0 332.360 1.500 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416485448 447621421 /nfs/dbraw/zinc/62/14/21/447621421.db2.gz AYTAYGPXOARRFL-BETUJISGSA-N 1 0 341.433 1.925 20 5 EDBDRO C[NH2+]CCCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000420142271 447632151 /nfs/dbraw/zinc/63/21/51/447632151.db2.gz UEWTYFUVXOKRIJ-UHFFFAOYSA-N 1 0 337.767 1.816 20 5 EDBDRO COC(=O)c1cc(C)nc(NC[C@@H]([NH3+])c2ccccc2)c1[N+](=O)[O-] ZINC000420179065 447656838 /nfs/dbraw/zinc/65/68/38/447656838.db2.gz ALXPPFTYLCRLOM-CYBMUJFWSA-N 1 0 330.344 2.197 20 5 EDBDRO C[C@H]1CN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000420201754 447668006 /nfs/dbraw/zinc/66/80/06/447668006.db2.gz NJGKSHLOPMLPQP-NSHDSACASA-N 1 0 329.360 1.357 20 5 EDBDRO CC[NH2+]CC1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000420218746 447675267 /nfs/dbraw/zinc/67/52/67/447675267.db2.gz WQHSAKOXHWRKLA-UHFFFAOYSA-N 1 0 347.462 1.886 20 5 EDBDRO CC(C)(C(=O)N1c2ccccc2C[C@H]1C[NH3+])n1cc([N+](=O)[O-])cn1 ZINC000422627697 447677145 /nfs/dbraw/zinc/67/71/45/447677145.db2.gz PXUKUXWBYIHNBI-LBPRGKRZSA-N 1 0 329.360 1.443 20 5 EDBDRO CC1(CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC[NH2+]CC1 ZINC000420229217 447678910 /nfs/dbraw/zinc/67/89/10/447678910.db2.gz NHNKRKGAIUNISX-UHFFFAOYSA-N 1 0 328.394 1.044 20 5 EDBDRO O=C(c1ccc(NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000420235830 447682037 /nfs/dbraw/zinc/68/20/37/447682037.db2.gz JNUQLSRDOLANND-CQSZACIVSA-N 1 0 348.403 1.621 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000429129734 447729251 /nfs/dbraw/zinc/72/92/51/447729251.db2.gz PTWLLCFIMVWVRU-JLLWLGSASA-N 1 0 338.412 1.023 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@](O)(CO)C1 ZINC000459649791 447731868 /nfs/dbraw/zinc/73/18/68/447731868.db2.gz RUJWHSBKMGXGLS-MRXNPFEDSA-N 1 0 337.376 1.051 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000422761132 447742849 /nfs/dbraw/zinc/74/28/49/447742849.db2.gz LMQPQOLSIIWRDU-GHMZBOCLSA-N 1 0 335.360 1.499 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000422767270 447744566 /nfs/dbraw/zinc/74/45/66/447744566.db2.gz RTJVRIDYXNWINZ-UHFFFAOYSA-N 1 0 348.403 1.024 20 5 EDBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@H](O)[C@@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000459707004 447746206 /nfs/dbraw/zinc/74/62/06/447746206.db2.gz NYMBKJINVBXFAD-BZNIZROVSA-N 1 0 348.355 1.648 20 5 EDBDRO CC(C)([NH3+])c1noc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000431099251 447790337 /nfs/dbraw/zinc/79/03/37/447790337.db2.gz IJJFUCBXFICVJH-JTQLQIEISA-N 1 0 347.379 1.253 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1ccsc1 ZINC000552926782 447964900 /nfs/dbraw/zinc/96/49/00/447964900.db2.gz YWFIXGDBIYLRCG-LLVKDONJSA-N 1 0 335.389 1.666 20 5 EDBDRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000524648887 447937420 /nfs/dbraw/zinc/93/74/20/447937420.db2.gz MIOAYPPGEPRDEL-LLVKDONJSA-N 1 0 328.394 1.000 20 5 EDBDRO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@@H](C)[C@H]1[NH3+] ZINC000570375191 447995498 /nfs/dbraw/zinc/99/54/98/447995498.db2.gz FEZFQYFHDRCDFJ-BHDSKKPTSA-N 1 0 335.360 1.564 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525694161 448012020 /nfs/dbraw/zinc/01/20/20/448012020.db2.gz PDEDLCSZKQFTDK-NSHDSACASA-N 1 0 328.394 1.095 20 5 EDBDRO C[N@H+](CCNS(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCC1 ZINC000525688393 448012289 /nfs/dbraw/zinc/01/22/89/448012289.db2.gz BMFCVRROKALWJL-UHFFFAOYSA-N 1 0 328.394 1.143 20 5 EDBDRO C[C@@H](CCCO)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576399316 448045612 /nfs/dbraw/zinc/04/56/12/448045612.db2.gz KHTHJKHDWSVRPO-LBPRGKRZSA-N 1 0 330.406 1.367 20 5 EDBDRO CCn1ccnc1[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000576817004 448146525 /nfs/dbraw/zinc/14/65/25/448146525.db2.gz UJCQDAVRBQVWRO-STQMWFEESA-N 1 0 334.376 1.902 20 5 EDBDRO [NH3+]C/C=C/CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000591357249 448340838 /nfs/dbraw/zinc/34/08/38/448340838.db2.gz XTQRURUXOGKMKZ-OWOJBTEDSA-N 1 0 332.282 1.928 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591357181 448340958 /nfs/dbraw/zinc/34/09/58/448340958.db2.gz MGVDAKUAOQVFCW-HZMBPMFUSA-N 1 0 344.375 1.365 20 5 EDBDRO CC[C@@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000591415933 448356434 /nfs/dbraw/zinc/35/64/34/448356434.db2.gz XHMXDTKMMAMKME-OCCSQVGLSA-N 1 0 348.403 1.105 20 5 EDBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000564466242 448330994 /nfs/dbraw/zinc/33/09/94/448330994.db2.gz LSXQWIAXLBFRNL-CYBMUJFWSA-N 1 0 349.435 2.416 20 5 EDBDRO COc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000591728749 448475177 /nfs/dbraw/zinc/47/51/77/448475177.db2.gz BZADZPNZYSKJTE-CYBMUJFWSA-N 1 0 333.344 1.528 20 5 EDBDRO Cc1ccc(O[C@@H](C)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000591744635 448479882 /nfs/dbraw/zinc/47/98/82/448479882.db2.gz RFGUQPAYAXVAAS-ZFWWWQNUSA-N 1 0 334.376 1.518 20 5 EDBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000591758898 448484200 /nfs/dbraw/zinc/48/42/00/448484200.db2.gz RSZXTIWNKSLMLP-WFASDCNBSA-N 1 0 342.417 1.916 20 5 EDBDRO Cc1csc(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000591724824 448472705 /nfs/dbraw/zinc/47/27/05/448472705.db2.gz GDHXMEUXABBZDN-LBPRGKRZSA-N 1 0 337.401 1.932 20 5 EDBDRO CC1(C)C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000584390786 448505409 /nfs/dbraw/zinc/50/54/09/448505409.db2.gz SCWIOOGDBHDEMX-AWEZNQCLSA-N 1 0 335.360 1.596 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCC[NH2+]C(C)C)c1 ZINC000572960045 448506552 /nfs/dbraw/zinc/50/65/52/448506552.db2.gz PVKWJSLUGZTRTB-UHFFFAOYSA-N 1 0 329.422 1.878 20 5 EDBDRO C[NH+](C)CCc1ccccc1NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000517231470 448557759 /nfs/dbraw/zinc/55/77/59/448557759.db2.gz JGHVFXJTFHPUHF-OAHLLOKOSA-N 1 0 333.392 1.368 20 5 EDBDRO C[C@@]1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000566791493 448558283 /nfs/dbraw/zinc/55/82/83/448558283.db2.gz CJSLFVKEFMBYJZ-AWEZNQCLSA-N 1 0 328.390 1.527 20 5 EDBDRO C[NH+](C)[C@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000566883232 448575897 /nfs/dbraw/zinc/57/58/97/448575897.db2.gz PQYNFPFUHAHFSP-GJZGRUSLSA-N 1 0 335.404 1.639 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000573082550 448538671 /nfs/dbraw/zinc/53/86/71/448538671.db2.gz IDIGLKSCRBLAGH-HIFRSBDPSA-N 1 0 349.362 1.575 20 5 EDBDRO C[C@H](CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[C@H]1CCC[NH2+]C1 ZINC000517148126 448544089 /nfs/dbraw/zinc/54/40/89/448544089.db2.gz CQBFDSLLNCEPAL-OLZOCXBDSA-N 1 0 332.404 1.900 20 5 EDBDRO C[C@@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000584792215 448635413 /nfs/dbraw/zinc/63/54/13/448635413.db2.gz MIFKCTZIIVPAOT-ZDUSSCGKSA-N 1 0 341.433 1.994 20 5 EDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000518560851 448692154 /nfs/dbraw/zinc/69/21/54/448692154.db2.gz FIEAZRHOZFIYNR-GFCCVEGCSA-N 1 0 338.408 1.459 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CCO)c2ccccc2F)c1 ZINC000592159117 448717850 /nfs/dbraw/zinc/71/78/50/448717850.db2.gz CBMPDWWGMFXKFL-WFASDCNBSA-N 1 0 338.339 1.005 20 5 EDBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000592375745 448811401 /nfs/dbraw/zinc/81/14/01/448811401.db2.gz WWQSATRGLOZEDR-JTQLQIEISA-N 1 0 331.394 1.399 20 5 EDBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000592381453 448813981 /nfs/dbraw/zinc/81/39/81/448813981.db2.gz OCWMAYSVFPGCLX-KOLCDFICSA-N 1 0 329.353 1.106 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000592387472 448818934 /nfs/dbraw/zinc/81/89/34/448818934.db2.gz JDKCYDSIIDRFJF-NSHDSACASA-N 1 0 343.405 1.353 20 5 EDBDRO [NH3+]C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000592472274 448851354 /nfs/dbraw/zinc/85/13/54/448851354.db2.gz RSMXOJTVUDQDPS-AWEZNQCLSA-N 1 0 332.404 1.665 20 5 EDBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000588005141 448854919 /nfs/dbraw/zinc/85/49/19/448854919.db2.gz WEKYTVOBLKLNAN-AWEZNQCLSA-N 1 0 336.367 1.652 20 5 EDBDRO [NH3+]C1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC000592532948 448884072 /nfs/dbraw/zinc/88/40/72/448884072.db2.gz VZXVDBHXEJEOPP-UHFFFAOYSA-N 1 0 341.367 1.586 20 5 EDBDRO Cn1c2cc(NCC3=CC[N@H+](C)CC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000588012613 448857051 /nfs/dbraw/zinc/85/70/51/448857051.db2.gz LHQGKVNTYBYFEU-UHFFFAOYSA-N 1 0 331.376 1.459 20 5 EDBDRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000592567393 448904636 /nfs/dbraw/zinc/90/46/36/448904636.db2.gz LKJCJSZTRMWNKH-HNNXBMFYSA-N 1 0 329.360 1.266 20 5 EDBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000588814479 448933657 /nfs/dbraw/zinc/93/36/57/448933657.db2.gz NYGUYPOVZCXIDS-OAHLLOKOSA-N 1 0 341.795 1.777 20 5 EDBDRO C[C@@H]1C[C@@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000579828086 448888132 /nfs/dbraw/zinc/88/81/32/448888132.db2.gz CLIXJWNRXFSXPT-UPJWGTAASA-N 1 0 342.417 1.772 20 5 EDBDRO CS(=O)(=O)c1cccc(N2CC[C@]3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC000568977774 448947679 /nfs/dbraw/zinc/94/76/79/448947679.db2.gz RVRVGYPLPVVKTP-OAHLLOKOSA-N 1 0 339.417 1.578 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588863029 448941346 /nfs/dbraw/zinc/94/13/46/448941346.db2.gz OAQSTDAKCVJRGO-RYUDHWBXSA-N 1 0 339.779 1.529 20 5 EDBDRO CC(C)c1ccc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588861387 448941602 /nfs/dbraw/zinc/94/16/02/448941602.db2.gz SVILQDSEJDVXPP-LSDHHAIUSA-N 1 0 347.415 1.999 20 5 EDBDRO CCn1cc(C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C(C)C)cn1 ZINC000593082505 449126250 /nfs/dbraw/zinc/12/62/50/449126250.db2.gz WJGMUYZWIQMGHD-UHFFFAOYSA-N 1 0 333.392 1.884 20 5 EDBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593585738 449091610 /nfs/dbraw/zinc/09/16/10/449091610.db2.gz ISXBRLXKARKVJN-GFCCVEGCSA-N 1 0 342.421 1.389 20 5 EDBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548741574 449093571 /nfs/dbraw/zinc/09/35/71/449093571.db2.gz PWXOPLILIRMURO-UHFFFAOYSA-N 1 0 335.408 1.909 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)[C@@H]2C1 ZINC000590010537 449094709 /nfs/dbraw/zinc/09/47/09/449094709.db2.gz ODDXCBCXJMXGFA-GXTWGEPZSA-N 1 0 329.360 1.781 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)c1 ZINC000593011348 449101707 /nfs/dbraw/zinc/10/17/07/449101707.db2.gz PGBRXAYWJVORPR-ZYHUDNBSSA-N 1 0 335.360 1.467 20 5 EDBDRO CO[C@@]1(CO)CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000595660692 449102247 /nfs/dbraw/zinc/10/22/47/449102247.db2.gz UNJNMNBJIXMPPV-INIZCTEOSA-N 1 0 337.376 1.397 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000593033066 449109579 /nfs/dbraw/zinc/10/95/79/449109579.db2.gz GSZVQGUCTMSMRB-UHFFFAOYSA-N 1 0 349.431 1.930 20 5 EDBDRO CC(C)C[N@H+](C)CCCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000593616773 449110593 /nfs/dbraw/zinc/11/05/93/449110593.db2.gz PNDRXNOAJIOPEB-UHFFFAOYSA-N 1 0 330.410 1.246 20 5 EDBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595678110 449115398 /nfs/dbraw/zinc/11/53/98/449115398.db2.gz QPBLSPZUGHTOKU-QLFBSQMISA-N 1 0 338.404 1.817 20 5 EDBDRO C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1CCO ZINC000595691518 449120746 /nfs/dbraw/zinc/12/07/46/449120746.db2.gz BXGOSMFXOODHFM-RBSFLKMASA-N 1 0 338.404 1.817 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000595783147 449163635 /nfs/dbraw/zinc/16/36/35/449163635.db2.gz RINDMMFAGMPYOC-LSDHHAIUSA-N 1 0 349.387 1.825 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC000590443332 449164883 /nfs/dbraw/zinc/16/48/83/449164883.db2.gz IFLQTXDFEMDOIC-ZFWWWQNUSA-N 1 0 333.388 1.835 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)[C@@H]2C1 ZINC000590446410 449167598 /nfs/dbraw/zinc/16/75/98/449167598.db2.gz VBSVAMOMWBBQDI-MLGOLLRUSA-N 1 0 341.371 1.557 20 5 EDBDRO [NH3+]C[C@]12CCC[C@H]1CN(CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)C2 ZINC000593734041 449169503 /nfs/dbraw/zinc/16/95/03/449169503.db2.gz RTZOJAYUFJZXTM-KSSFIOAISA-N 1 0 344.415 1.545 20 5 EDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590402247 449148563 /nfs/dbraw/zinc/14/85/63/449148563.db2.gz BNDVDBNHPVFYRJ-SWLSCSKDSA-N 1 0 348.403 1.266 20 5 EDBDRO COc1cc(C[NH2+]CC[C@@]2(O)CCCOC2)c([N+](=O)[O-])cc1OC ZINC000593690959 449149456 /nfs/dbraw/zinc/14/94/56/449149456.db2.gz DFXHYTSSLKSULT-INIZCTEOSA-N 1 0 340.376 1.633 20 5 EDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000604264397 449199160 /nfs/dbraw/zinc/19/91/60/449199160.db2.gz VOYNCUDHZBDNOB-ZDUSSCGKSA-N 1 0 339.417 1.983 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595868580 449219674 /nfs/dbraw/zinc/21/96/74/449219674.db2.gz QLHWCJJLSDNGDB-MRXNPFEDSA-N 1 0 335.404 1.634 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000590590198 449205076 /nfs/dbraw/zinc/20/50/76/449205076.db2.gz VPCNBEKYMIDGQS-ZYHUDNBSSA-N 1 0 343.405 1.317 20 5 EDBDRO O=C(C[N@@H+]1CC[C@@H]2COC[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595826944 449189624 /nfs/dbraw/zinc/18/96/24/449189624.db2.gz BGKUXBYLWPRMNU-KGLIPLIRSA-N 1 0 331.372 1.452 20 5 EDBDRO C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000590649711 449233390 /nfs/dbraw/zinc/23/33/90/449233390.db2.gz ZUGYIORPSUEVID-ITGUQSILSA-N 1 0 342.417 1.914 20 5 EDBDRO CNC(=O)c1ccc(NCCCN2CCC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000604527598 449245832 /nfs/dbraw/zinc/24/58/32/449245832.db2.gz GVPDSGCBXLUETL-UHFFFAOYSA-N 1 0 349.435 1.394 20 5 EDBDRO COCC1(C2CC2)C[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000601964441 449248021 /nfs/dbraw/zinc/24/80/21/449248021.db2.gz ZWOHRSZSKDTMTK-HNNXBMFYSA-N 1 0 336.388 1.693 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@H](C(F)F)CC2)c1 ZINC000601978136 449259439 /nfs/dbraw/zinc/25/94/39/449259439.db2.gz XREFEBUFLWRUDS-OCCSQVGLSA-N 1 0 346.330 1.691 20 5 EDBDRO O=[N+]([O-])c1ccc2oc(CN3CCC([N@@H+]4CC[C@H](O)C4)CC3)nc2c1 ZINC000595868621 449220676 /nfs/dbraw/zinc/22/06/76/449220676.db2.gz RMUVLSCLTMMJDB-AWEZNQCLSA-N 1 0 346.387 1.767 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000593922168 449289232 /nfs/dbraw/zinc/28/92/32/449289232.db2.gz BFBXINAXDBLDPS-GXFFZTMASA-N 1 0 329.360 2.441 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000602055691 449305815 /nfs/dbraw/zinc/30/58/15/449305815.db2.gz FWJLEJRGSVTIMZ-UHFFFAOYSA-N 1 0 335.404 1.912 20 5 EDBDRO COc1cc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000611515878 449317607 /nfs/dbraw/zinc/31/76/07/449317607.db2.gz PSSNLKRJAWIEIX-ZBFHGGJFSA-N 1 0 335.404 1.634 20 5 EDBDRO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000602102626 449346463 /nfs/dbraw/zinc/34/64/63/449346463.db2.gz QYVPNBPIPTUNER-CHWSQXEVSA-N 1 0 333.392 1.344 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000598342090 449356665 /nfs/dbraw/zinc/35/66/65/449356665.db2.gz DYGMSRYACVJXLB-GXTWGEPZSA-N 1 0 348.403 1.314 20 5 EDBDRO O=C(CNc1cc[nH]c(=O)c1[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC000596240053 449435084 /nfs/dbraw/zinc/43/50/84/449435084.db2.gz QAJNHKSGWNJKOD-UHFFFAOYSA-N 1 0 337.380 1.100 20 5 EDBDRO CCC[N@H+](C)CC(=O)N[C@@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000600539836 449431451 /nfs/dbraw/zinc/43/14/51/449431451.db2.gz BXDZJRGOGXNKFL-MRXNPFEDSA-N 1 0 337.376 1.441 20 5 EDBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596236679 449431848 /nfs/dbraw/zinc/43/18/48/449431848.db2.gz KNTIWTAXFXUOMG-JTQLQIEISA-N 1 0 330.410 1.383 20 5 EDBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CCO1 ZINC000598539334 449454248 /nfs/dbraw/zinc/45/42/48/449454248.db2.gz HLUHJMPJVMWFAD-GFCCVEGCSA-N 1 0 327.406 1.839 20 5 EDBDRO CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000600621498 449464399 /nfs/dbraw/zinc/46/43/99/449464399.db2.gz BKOVWPKYLBQFMG-VNQPRFMTSA-N 1 0 348.403 1.670 20 5 EDBDRO COc1cc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000598572094 449470646 /nfs/dbraw/zinc/47/06/46/449470646.db2.gz KYRUDXLPLKTPTR-LBPRGKRZSA-N 1 0 325.340 1.813 20 5 EDBDRO COC(=O)c1ccnc(N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000598607472 449489807 /nfs/dbraw/zinc/48/98/07/449489807.db2.gz MYXNBTZZFQHJGN-GHMZBOCLSA-N 1 0 340.405 1.258 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2C[C@@H]3CCC[C@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC000598681836 449539548 /nfs/dbraw/zinc/53/95/48/449539548.db2.gz JUOMWEQYXPMVLF-PRXAMGSTSA-N 1 0 348.403 1.744 20 5 EDBDRO Cn1ccnc1[C@H](NCCOCCC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000600712615 449510678 /nfs/dbraw/zinc/51/06/78/449510678.db2.gz ZARNGQLBUDGZSD-OAHLLOKOSA-N 1 0 333.392 1.373 20 5 EDBDRO C[C@H]1CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H]1CO ZINC000598645721 449516000 /nfs/dbraw/zinc/51/60/00/449516000.db2.gz GMRBTKHFZQMUSZ-STQMWFEESA-N 1 0 349.387 1.843 20 5 EDBDRO CC(C)Oc1nc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000594585043 449584217 /nfs/dbraw/zinc/58/42/17/449584217.db2.gz NMMGZZMKLLUTDM-BETUJISGSA-N 1 0 336.392 2.052 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598714660 449558474 /nfs/dbraw/zinc/55/84/74/449558474.db2.gz HGZHOZBAIGNFDC-GXFFZTMASA-N 1 0 341.433 1.817 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598713923 449558498 /nfs/dbraw/zinc/55/84/98/449558498.db2.gz FCAABXURWOXDIN-CYBMUJFWSA-N 1 0 341.433 1.961 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598716104 449560007 /nfs/dbraw/zinc/56/00/07/449560007.db2.gz XKGZHQVNILRONZ-ZYHUDNBSSA-N 1 0 327.406 1.630 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)c(C)c1[N+](=O)[O-] ZINC000598716554 449560884 /nfs/dbraw/zinc/56/08/84/449560884.db2.gz MUUUYTIBNZYXHB-GFCCVEGCSA-N 1 0 327.406 1.632 20 5 EDBDRO O=C(NCc1cn(C2CC[NH2+]CC2)nn1)Nc1ccccc1[N+](=O)[O-] ZINC000594653686 449610060 /nfs/dbraw/zinc/61/00/60/449610060.db2.gz XSTLZNAQKKCYKP-UHFFFAOYSA-N 1 0 345.363 1.433 20 5 EDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000602525477 449650290 /nfs/dbraw/zinc/65/02/90/449650290.db2.gz BNDSVJIYJZPMPX-INIZCTEOSA-N 1 0 343.387 1.851 20 5 EDBDRO COC(=O)CCN1CC[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000594729077 449652292 /nfs/dbraw/zinc/65/22/92/449652292.db2.gz IYINHIWHYCYYTE-OCCSQVGLSA-N 1 0 349.387 1.718 20 5 EDBDRO C[NH2+]CCOCCN(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000602548756 449666886 /nfs/dbraw/zinc/66/68/86/449666886.db2.gz PRWAUIKDFFIDKH-UHFFFAOYSA-N 1 0 336.392 1.477 20 5 EDBDRO C[N@@H+]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000598907800 449642202 /nfs/dbraw/zinc/64/22/02/449642202.db2.gz ZWDXOANRIGGWTO-UHFFFAOYSA-N 1 0 349.391 1.269 20 5 EDBDRO [NH3+]CC12CC(C1)CN2C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602520503 449646367 /nfs/dbraw/zinc/64/63/67/449646367.db2.gz GXNRTHYIBFHVCQ-UHFFFAOYSA-N 1 0 340.177 1.921 20 5 EDBDRO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601112743 449696917 /nfs/dbraw/zinc/69/69/17/449696917.db2.gz CHROLBBUAIRKEE-ZDUSSCGKSA-N 1 0 329.404 1.613 20 5 EDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@](C)(O)C[NH+](C)C ZINC000601134310 449708334 /nfs/dbraw/zinc/70/83/34/449708334.db2.gz FVSVHOWMNVGSBU-SNVBAGLBSA-N 1 0 325.291 1.072 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000599085508 449721974 /nfs/dbraw/zinc/72/19/74/449721974.db2.gz SJQQNNZRSXZNPY-DJIMGWMZSA-N 1 0 333.432 1.962 20 5 EDBDRO Cn1ccnc1[C@H](NCC[N@@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599085012 449722606 /nfs/dbraw/zinc/72/26/06/449722606.db2.gz IZYBRNBNVPJTDE-HZPDHXFCSA-N 1 0 345.403 1.074 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC(N3CCOCC3)C2)n1 ZINC000599095093 449728656 /nfs/dbraw/zinc/72/86/56/449728656.db2.gz QRZGBMCFCQRAMR-UHFFFAOYSA-N 1 0 336.348 1.052 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c1C ZINC000599102357 449733052 /nfs/dbraw/zinc/73/30/52/449733052.db2.gz DKLMSNKLMJRFAG-ZYHUDNBSSA-N 1 0 327.406 1.630 20 5 EDBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602590047 449691247 /nfs/dbraw/zinc/69/12/47/449691247.db2.gz VPSXXNJKVKUCRV-KBPBESRZSA-N 1 0 330.388 1.384 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@H](C)[NH+]2CCCC2)c([N+](=O)[O-])s1 ZINC000601303161 449813536 /nfs/dbraw/zinc/81/35/36/449813536.db2.gz CFFRLBHJINIDPN-VIFPVBQESA-N 1 0 333.435 1.727 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000601305452 449815522 /nfs/dbraw/zinc/81/55/22/449815522.db2.gz YGTFWYROHQHRME-SNVBAGLBSA-N 1 0 345.446 1.727 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2COC(C)(C)C2)cc1[N+](=O)[O-] ZINC000594965164 449822042 /nfs/dbraw/zinc/82/20/42/449822042.db2.gz QTZLDLLYDLIHCW-LBPRGKRZSA-N 1 0 338.360 1.804 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])s1 ZINC000601343727 449853792 /nfs/dbraw/zinc/85/37/92/449853792.db2.gz PZWOWQLLZZGZFB-UWVGGRQHSA-N 1 0 331.419 1.337 20 5 EDBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1c(F)cccc1[N+](=O)[O-] ZINC000601345003 449854540 /nfs/dbraw/zinc/85/45/40/449854540.db2.gz KDVRDOIVVMDCNH-LBPRGKRZSA-N 1 0 339.367 1.701 20 5 EDBDRO Cn1cc(CN2CC[N@H+](C)C[C@H]2Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000602864920 449874658 /nfs/dbraw/zinc/87/46/58/449874658.db2.gz LEELJVLEEUMAME-MRXNPFEDSA-N 1 0 329.404 1.687 20 5 EDBDRO CC[C@@H](NS(=O)(=O)CCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000601364804 449878195 /nfs/dbraw/zinc/87/81/95/449878195.db2.gz MHOCSTRJEZQNNY-CQSZACIVSA-N 1 0 329.422 1.917 20 5 EDBDRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000595121341 449882393 /nfs/dbraw/zinc/88/23/93/449882393.db2.gz OSXRXDOVYVWREQ-SNVBAGLBSA-N 1 0 335.813 1.900 20 5 EDBDRO COC(=O)c1cn(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)nn1 ZINC000595043346 449848267 /nfs/dbraw/zinc/84/82/67/449848267.db2.gz JOMYCGCAKBUVCK-JTQLQIEISA-N 1 0 349.347 1.332 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc1C ZINC000601421343 449938920 /nfs/dbraw/zinc/93/89/20/449938920.db2.gz FFJQIZQDUVXIHT-STQMWFEESA-N 1 0 341.433 1.925 20 5 EDBDRO COc1ccc(CN2CCN(c3nnc(C)n3C)CC2)cc1[N+](=O)[O-] ZINC000602941854 449943187 /nfs/dbraw/zinc/94/31/87/449943187.db2.gz KWGRHBUTAHOGLQ-UHFFFAOYSA-N 1 0 346.391 1.363 20 5 EDBDRO Cc1cc(S(=O)(=O)NC(C)(C)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000601435427 449957544 /nfs/dbraw/zinc/95/75/44/449957544.db2.gz QQXJFYWBZSIQDR-UHFFFAOYSA-N 1 0 333.385 1.661 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)cc1OC ZINC000595229443 449961236 /nfs/dbraw/zinc/96/12/36/449961236.db2.gz ZDSLCQRNIYPROC-PWSUYJOCSA-N 1 0 337.376 1.811 20 5 EDBDRO C[NH+](C)CCCOc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000609330940 450008225 /nfs/dbraw/zinc/00/82/25/450008225.db2.gz HNUNRKXJROKGRN-UHFFFAOYSA-N 1 0 347.375 1.761 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000595354961 450070737 /nfs/dbraw/zinc/07/07/37/450070737.db2.gz PTHQIJPOZDXNRB-NSHDSACASA-N 1 0 343.405 1.366 20 5 EDBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601562043 450074397 /nfs/dbraw/zinc/07/43/97/450074397.db2.gz QZVVXDBCSSLXGK-CBAPKCEASA-N 1 0 328.275 1.774 20 5 EDBDRO CC1(C)C[C@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CO1 ZINC000595376553 450090000 /nfs/dbraw/zinc/09/00/00/450090000.db2.gz KXXPGWIVHVIEIA-HNNXBMFYSA-N 1 0 333.388 1.920 20 5 EDBDRO CC1(C)CCC[C@@](CO)([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599597822 450092431 /nfs/dbraw/zinc/09/24/31/450092431.db2.gz YVGUEPWVEWDEGD-UKRRQHHQSA-N 1 0 326.397 1.073 20 5 EDBDRO O=C(NCC12CCC[NH+]1CCC2)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000597586329 450129216 /nfs/dbraw/zinc/12/92/16/450129216.db2.gz ABJVIKTWJLDRBR-UHFFFAOYSA-N 1 0 347.371 1.724 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[NH+]([C@H]4CCC[C@H]4O)CC3)nc2c1 ZINC000618279262 450115063 /nfs/dbraw/zinc/11/50/63/450115063.db2.gz FCFGMNMISRSPIQ-JKSUJKDBSA-N 1 0 345.403 1.502 20 5 EDBDRO CC(C)[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000595413226 450125368 /nfs/dbraw/zinc/12/53/68/450125368.db2.gz RULJFLLASPVYFT-NSHDSACASA-N 1 0 347.824 1.867 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599685414 450152883 /nfs/dbraw/zinc/15/28/83/450152883.db2.gz WBAGJPDOXKNIMO-SGIREYDYSA-N 1 0 347.371 1.738 20 5 EDBDRO CC(C)[N@H+](C)C[C@@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595461900 450158249 /nfs/dbraw/zinc/15/82/49/450158249.db2.gz QKRYGRDRLBMPJW-CQSZACIVSA-N 1 0 325.413 1.129 20 5 EDBDRO COC(=O)C[C@]1([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000613392702 450162594 /nfs/dbraw/zinc/16/25/94/450162594.db2.gz FZTPTMCDBBALDG-MRXNPFEDSA-N 1 0 338.360 1.676 20 5 EDBDRO CC1(C)CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1CCO ZINC000618308077 450132650 /nfs/dbraw/zinc/13/26/50/450132650.db2.gz LUDKEEXDBOQEKZ-UHFFFAOYSA-N 1 0 333.392 1.360 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[N@H+]2CC[C@H](C)C2)c1C ZINC000610409387 450210459 /nfs/dbraw/zinc/21/04/59/450210459.db2.gz ZIZZUIYOBXGXOR-NSHDSACASA-N 1 0 341.433 1.832 20 5 EDBDRO CN(CCC[NH+](C)C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000599743475 450191547 /nfs/dbraw/zinc/19/15/47/450191547.db2.gz ORNOJZWYHDCOIY-UHFFFAOYSA-N 1 0 349.366 1.943 20 5 EDBDRO C[N@@H+]1CCC[C@H](N2CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)C1 ZINC000610481197 450236663 /nfs/dbraw/zinc/23/66/63/450236663.db2.gz OXXMTVXSSAQDPI-INIZCTEOSA-N 1 0 336.411 1.946 20 5 EDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000619871773 450348962 /nfs/dbraw/zinc/34/89/62/450348962.db2.gz XZPMEKTYTZWCOU-ZDUSSCGKSA-N 1 0 339.417 1.983 20 5 EDBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000610913436 450379095 /nfs/dbraw/zinc/37/90/95/450379095.db2.gz VTTYUXFDYDCBGU-AWEZNQCLSA-N 1 0 337.351 1.717 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000189943792 518188667 /nfs/dbraw/zinc/18/86/67/518188667.db2.gz DQDYIJQGEYCMSF-LBPRGKRZSA-N 1 0 327.406 1.536 20 5 EDBDRO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2F)C1 ZINC000131956530 536477289 /nfs/dbraw/zinc/47/72/89/536477289.db2.gz AICQXEPRQBSHAV-VIFPVBQESA-N 1 0 338.368 1.823 20 5 EDBDRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000189811819 528436614 /nfs/dbraw/zinc/43/66/14/528436614.db2.gz FDKWGNDSIDASDB-UHFFFAOYSA-N 1 0 336.392 1.642 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000183997991 528548236 /nfs/dbraw/zinc/54/82/36/528548236.db2.gz QYPLZNDNBPEUEZ-UHFFFAOYSA-N 1 0 336.392 1.213 20 5 EDBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000262133967 535461613 /nfs/dbraw/zinc/46/16/13/535461613.db2.gz LTJVTQHBIQGEKS-UHFFFAOYSA-N 1 0 327.406 1.605 20 5 EDBDRO CC[NH2+]CCNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000236896536 535465246 /nfs/dbraw/zinc/46/52/46/535465246.db2.gz GXWQTFAMIDTHMD-UHFFFAOYSA-N 1 0 336.348 1.009 20 5 EDBDRO CC[NH+](CC)C[C@H](C)Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000341551100 535590792 /nfs/dbraw/zinc/59/07/92/535590792.db2.gz BVZMUWRPAURUTD-NSHDSACASA-N 1 0 344.437 1.645 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000345873704 536363785 /nfs/dbraw/zinc/36/37/85/536363785.db2.gz IFADKNSPOQVJQY-HONMWMINSA-N 1 0 334.376 1.426 20 5 EDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000248448287 536419948 /nfs/dbraw/zinc/41/99/48/536419948.db2.gz HPYRAWOGRYGHME-IUODEOHRSA-N 1 0 326.393 1.673 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000237158039 536459575 /nfs/dbraw/zinc/45/95/75/536459575.db2.gz CKYYWMQSKKINPX-LBPRGKRZSA-N 1 0 327.406 1.584 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000353187277 536476791 /nfs/dbraw/zinc/47/67/91/536476791.db2.gz BGTIJOJZACFJAH-KGLIPLIRSA-N 1 0 338.360 1.396 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CC[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000353232781 536477215 /nfs/dbraw/zinc/47/72/15/536477215.db2.gz LULLUSJKUSGJHJ-QWHCGFSZSA-N 1 0 338.360 1.804 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292181738 536769710 /nfs/dbraw/zinc/76/97/10/536769710.db2.gz QQDIKAGOZIXIKS-QGZVFWFLSA-N 1 0 348.403 1.570 20 5 EDBDRO COc1ccc(CC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000727675789 578537113 /nfs/dbraw/zinc/53/71/13/578537113.db2.gz SHMFERNJYFBPEL-ZIAGYGMSSA-N 1 0 349.387 1.125 20 5 EDBDRO CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1C[NH+]2CCC1CC2 ZINC000732159095 578694965 /nfs/dbraw/zinc/69/49/65/578694965.db2.gz FIPRZHBUWBYWAL-INIZCTEOSA-N 1 0 343.387 1.497 20 5 EDBDRO C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000761077209 580046930 /nfs/dbraw/zinc/04/69/30/580046930.db2.gz LESFKKIVUUEITN-JTQLQIEISA-N 1 0 326.784 1.823 20 5 EDBDRO O=[N+]([O-])c1c(N2CC[NH+](CC3CCOCC3)CC2)nc2ccccn21 ZINC000736299854 578975179 /nfs/dbraw/zinc/97/51/79/578975179.db2.gz XOPFIDWZPYEACR-UHFFFAOYSA-N 1 0 345.403 1.791 20 5 EDBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)c21 ZINC000754026873 579894262 /nfs/dbraw/zinc/89/42/62/579894262.db2.gz VVTWYCHTUGPCLC-RYUDHWBXSA-N 1 0 329.360 1.813 20 5 EDBDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000754322229 579901131 /nfs/dbraw/zinc/90/11/31/579901131.db2.gz RRGOAFMRWKKTRO-UHFFFAOYSA-N 1 0 333.385 1.696 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000758331012 579980082 /nfs/dbraw/zinc/98/00/82/579980082.db2.gz LWCVVIGZOMLIDC-NHYWBVRUSA-N 1 0 343.387 1.543 20 5 EDBDRO COc1ccc(NNC(=S)NC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000767694358 580197146 /nfs/dbraw/zinc/19/71/46/580197146.db2.gz YQOUZBPEKORFES-UHFFFAOYSA-N 1 0 339.421 1.489 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768841344 580221936 /nfs/dbraw/zinc/22/19/36/580221936.db2.gz GACROTXMGFGLRK-GXSJLCMTSA-N 1 0 333.435 1.617 20 5 EDBDRO Nc1ccc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000773412369 580336705 /nfs/dbraw/zinc/33/67/05/580336705.db2.gz DLQGRDOZGUJTLE-AWEZNQCLSA-N 1 0 348.403 1.504 20 5 EDBDRO O=c1oc2cccc([N+](=O)[O-])c2n1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000794631905 580900801 /nfs/dbraw/zinc/90/08/01/580900801.db2.gz HBTMPLZFHRPXKE-CYBMUJFWSA-N 1 0 346.387 1.878 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000800600818 581055449 /nfs/dbraw/zinc/05/54/49/581055449.db2.gz FRYXDCZJKDUGPB-SNVBAGLBSA-N 1 0 338.339 1.191 20 5 EDBDRO CNc1ccc(C(=O)OCCC[N@@H+]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000893391809 590832281 /nfs/dbraw/zinc/83/22/81/590832281.db2.gz BUDJVAIVUKQPRZ-LBPRGKRZSA-N 1 0 337.376 1.904 20 5 EDBDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000892713981 591144264 /nfs/dbraw/zinc/14/42/64/591144264.db2.gz KVHKRKSBKFCEOZ-CMPLNLGQSA-N 1 0 328.390 1.516 20 5 EDBDRO C[C@]1(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[NH+]2CCC1CC2 ZINC000892776320 591171535 /nfs/dbraw/zinc/17/15/35/591171535.db2.gz GQKLUAREUCDOSD-INIZCTEOSA-N 1 0 333.344 1.538 20 5 EDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000892929301 591228819 /nfs/dbraw/zinc/22/88/19/591228819.db2.gz GKUYNXQIQHWASO-HOTGVXAUSA-N 1 0 348.403 1.852 20 5 EDBDRO COc1c(O)ccc(C[NH2+]C[C@H](C)CN2CCOCC2)c1[N+](=O)[O-] ZINC000893031335 591259946 /nfs/dbraw/zinc/25/99/46/591259946.db2.gz VZRWLNNVQDFZEN-LBPRGKRZSA-N 1 0 339.392 1.367 20 5 EDBDRO C[C@@H]1[C@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000895734764 591264619 /nfs/dbraw/zinc/26/46/19/591264619.db2.gz AEJYCYWOHLEYJQ-UKRRQHHQSA-N 1 0 334.420 1.932 20 5 EDBDRO COC(=O)[C@@H]1[C@@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1(F)F ZINC000894580825 591351909 /nfs/dbraw/zinc/35/19/09/591351909.db2.gz WAPSGKLIRLAVOI-PWSUYJOCSA-N 1 0 344.318 1.483 20 5 EDBDRO COc1cc(C[NH2+]C[C@H]2COCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000894875564 591453075 /nfs/dbraw/zinc/45/30/75/591453075.db2.gz GQPQBKLXVCBKOZ-JTQLQIEISA-N 1 0 348.302 1.710 20 5 EDBDRO C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H]1C[N@H+](C)CCN1C ZINC000896567868 591529809 /nfs/dbraw/zinc/52/98/09/591529809.db2.gz ITYGQMNIEZWFDW-XHDPSFHLSA-N 1 0 345.403 1.440 20 5 EDBDRO C[C@H](NC(=O)N1CCN(C)CC[N@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000895066275 591560151 /nfs/dbraw/zinc/56/01/51/591560151.db2.gz KGIRGEGLJQMBAL-AWEZNQCLSA-N 1 0 349.435 1.545 20 5 EDBDRO C[C@H](Nc1nc2c(cc1[N+](=O)[O-])CCCC2)[C@H]1C[N@H+](C)CCN1C ZINC000895247887 591680909 /nfs/dbraw/zinc/68/09/09/591680909.db2.gz JOHKOEBSRJQTBY-BLLLJJGKSA-N 1 0 333.436 1.915 20 5 EDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc4ccccc4c([N+](=O)[O-])c3N)C[C@H]21 ZINC000897909191 591718105 /nfs/dbraw/zinc/71/81/05/591718105.db2.gz SEORRLRMAISTIG-FOLVSLTJSA-N 1 0 340.383 1.962 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CCC23CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000897133967 591747734 /nfs/dbraw/zinc/74/77/34/591747734.db2.gz VAEZFLYKCCYROQ-UHFFFAOYSA-N 1 0 334.376 1.759 20 5 EDBDRO COc1cc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(F)cc1[N+](=O)[O-] ZINC000897221077 591775659 /nfs/dbraw/zinc/77/56/59/591775659.db2.gz GVRZZYXWOZUGPH-CHWSQXEVSA-N 1 0 339.367 1.778 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898120957 591788824 /nfs/dbraw/zinc/78/88/24/591788824.db2.gz DUKPLODOCMCIDF-UHFFFAOYSA-N 1 0 347.415 1.870 20 5 EDBDRO O=C(c1ccc(N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000900429092 592015645 /nfs/dbraw/zinc/01/56/45/592015645.db2.gz WWGCDXYCEWVKHY-VNHYZAJKSA-N 1 0 346.387 1.372 20 5 EDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906676648 592258386 /nfs/dbraw/zinc/25/83/86/592258386.db2.gz ODLFUZDXZJQJHW-NSHDSACASA-N 1 0 335.360 1.580 20 5 EDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000908127054 592341836 /nfs/dbraw/zinc/34/18/36/592341836.db2.gz WTQREKXAYLGKNG-UHFFFAOYSA-N 1 0 334.420 1.089 20 5 EDBDRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000904275882 592467433 /nfs/dbraw/zinc/46/74/33/592467433.db2.gz AXUSUFIZDWTYRO-SNVBAGLBSA-N 1 0 328.756 1.700 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000905688047 592604413 /nfs/dbraw/zinc/60/44/13/592604413.db2.gz SMQGGGCIMJZMNG-JJRVBVJISA-N 1 0 348.399 1.883 20 5 EDBDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000908969382 592686346 /nfs/dbraw/zinc/68/63/46/592686346.db2.gz TTZFEVRCBLRYEP-KYJSFNMBSA-N 1 0 347.415 1.756 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000906637038 592864146 /nfs/dbraw/zinc/86/41/46/592864146.db2.gz XEOGFBQCWRDDTJ-CQSZACIVSA-N 1 0 335.408 1.338 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000911881351 593030121 /nfs/dbraw/zinc/03/01/21/593030121.db2.gz PWXTUAJNADUNDG-YGRLFVJLSA-N 1 0 341.795 1.755 20 5 EDBDRO [NH3+][C@@H]1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@H]2C[C@H]21 ZINC000911973638 593043548 /nfs/dbraw/zinc/04/35/48/593043548.db2.gz NFJCVYUEANEENQ-XUWVNRHRSA-N 1 0 330.388 1.227 20 5 EDBDRO CC[NH+](CC)CCOC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000912577566 593106071 /nfs/dbraw/zinc/10/60/71/593106071.db2.gz MAIFACYGBACDPN-UHFFFAOYSA-N 1 0 344.389 1.497 20 5 EDBDRO O=[N+]([O-])c1cccc(CN2CC[C@H](CO)[C@@H](O)C2)c1Br ZINC000839579026 593342908 /nfs/dbraw/zinc/34/29/08/593342908.db2.gz RPWOGVQTZUEFOW-PWSUYJOCSA-N 1 0 345.193 1.532 20 5 EDBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)CN1CCOCC1 ZINC000839674342 593368048 /nfs/dbraw/zinc/36/80/48/593368048.db2.gz NJPHBIRFMGRKAD-MRXNPFEDSA-N 1 0 337.420 1.671 20 5 EDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000768845155 593442395 /nfs/dbraw/zinc/44/23/95/593442395.db2.gz DYDZMIKGCNNDIT-VXGBXAGGSA-N 1 0 331.376 1.496 20 5 EDBDRO CNC(=O)[C@@H]1CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000817370794 593596923 /nfs/dbraw/zinc/59/69/23/593596923.db2.gz OIJMAXICCFVNFM-CYBMUJFWSA-N 1 0 329.360 1.484 20 5 EDBDRO Cc1c(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818562918 593704855 /nfs/dbraw/zinc/70/48/55/593704855.db2.gz FPCJLVIFROWCQS-NSHDSACASA-N 1 0 334.332 1.778 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCN(c3ccccn3)C2)c1 ZINC000819189488 593743560 /nfs/dbraw/zinc/74/35/60/593743560.db2.gz HLANXCQRLJVSEH-HOCLYGCPSA-N 1 0 328.372 1.892 20 5 EDBDRO CCc1nn(C)c(OC)c1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819206465 593744335 /nfs/dbraw/zinc/74/43/35/593744335.db2.gz UXCQWCSBLYMJLF-OAHLLOKOSA-N 1 0 334.376 1.723 20 5 EDBDRO CC1(C)OCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CO1 ZINC000819225920 593745565 /nfs/dbraw/zinc/74/55/65/593745565.db2.gz JOPSQDPSSKLZQK-CYBMUJFWSA-N 1 0 326.349 1.076 20 5 EDBDRO C[C@H]1C[N@H+](CCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000819265893 593747656 /nfs/dbraw/zinc/74/76/56/593747656.db2.gz UBQXCNDDRDKMBY-WMLDXEAASA-N 1 0 337.420 1.719 20 5 EDBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1(S(C)(=O)=O)CC1 ZINC000819305083 593749629 /nfs/dbraw/zinc/74/96/29/593749629.db2.gz LWPIXFHOXCKUHA-ZWNOBZJWSA-N 1 0 328.390 1.184 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1 ZINC000819313175 593750179 /nfs/dbraw/zinc/75/01/79/593750179.db2.gz YLAVVYCIMAEHAQ-RISCZKNCSA-N 1 0 328.390 1.043 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820752425 593881509 /nfs/dbraw/zinc/88/15/09/593881509.db2.gz MXWAEELEROZUFY-PELKAZGASA-N 1 0 330.352 1.065 20 5 EDBDRO Nc1ccc(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000823932801 593889856 /nfs/dbraw/zinc/88/98/56/593889856.db2.gz FCSZAIQLLPEUHY-GFCCVEGCSA-N 1 0 337.380 1.145 20 5 EDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821088797 593963359 /nfs/dbraw/zinc/96/33/59/593963359.db2.gz WPVGZQMYEAUSKR-NSHDSACASA-N 1 0 346.395 1.338 20 5 EDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(-c2nn[nH]n2)c1 ZINC000824606525 594046673 /nfs/dbraw/zinc/04/66/73/594046673.db2.gz PTGRAIGOAVBEBT-SNVBAGLBSA-N 1 0 328.336 1.322 20 5 EDBDRO CC(C)(CCC(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1)[N+](=O)[O-] ZINC000822836550 594109084 /nfs/dbraw/zinc/10/90/84/594109084.db2.gz HRMBHIMJMCEPRC-AWEZNQCLSA-N 1 0 327.425 1.535 20 5 EDBDRO O=[N+]([O-])c1cc(-c2noc(C[C@@H]3CC[NH2+]C3)n2)ccc1-n1cncn1 ZINC000823260229 594177147 /nfs/dbraw/zinc/17/71/47/594177147.db2.gz UXSLDVAWVHFRJC-JTQLQIEISA-N 1 0 341.331 1.378 20 5 EDBDRO CCn1nc(C)c(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000823458595 594204259 /nfs/dbraw/zinc/20/42/59/594204259.db2.gz ADUXIQCAHNUAEG-LBPRGKRZSA-N 1 0 331.380 1.596 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000826673372 594551691 /nfs/dbraw/zinc/55/16/91/594551691.db2.gz JBPZXXAJZUSNBR-AWEZNQCLSA-N 1 0 335.408 1.705 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000827170897 594650320 /nfs/dbraw/zinc/65/03/20/594650320.db2.gz YFWMVSKXGHRFQE-MCIONIFRSA-N 1 0 327.425 1.532 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)CC[C@H]21 ZINC000827329409 594661458 /nfs/dbraw/zinc/66/14/58/594661458.db2.gz GLWLETLGJMFDIH-BXUZGUMPSA-N 1 0 337.351 1.665 20 5 EDBDRO CCO[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C[NH+](C)C ZINC000831751126 594699273 /nfs/dbraw/zinc/69/92/73/594699273.db2.gz DQCHVPHGZDRTMN-GFCCVEGCSA-N 1 0 343.355 1.196 20 5 EDBDRO CCO[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C[NH+](C)C ZINC000831770608 594701548 /nfs/dbraw/zinc/70/15/48/594701548.db2.gz AVQFCMPRJMRXFC-ZDUSSCGKSA-N 1 0 338.408 1.357 20 5 EDBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000841149721 594859111 /nfs/dbraw/zinc/85/91/11/594859111.db2.gz LPVKVFXYFPCETK-VIFPVBQESA-N 1 0 326.740 1.007 20 5 EDBDRO O=C(CN1CC[C@]2(CC[NH2+]C2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843368300 595089707 /nfs/dbraw/zinc/08/97/07/595089707.db2.gz NLBYMBNXZJTHAR-HNNXBMFYSA-N 1 0 338.795 1.872 20 5 EDBDRO CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1(C[NH3+])CCC1 ZINC000843389442 595097895 /nfs/dbraw/zinc/09/78/95/595097895.db2.gz VHWPODBIKDHNRN-UHFFFAOYSA-N 1 0 326.784 2.000 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000842485033 595120626 /nfs/dbraw/zinc/12/06/26/595120626.db2.gz IAUYPAZSVAEFOL-OAHLLOKOSA-N 1 0 339.417 1.728 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc([N+](=O)[O-])c1F ZINC000842689988 595171577 /nfs/dbraw/zinc/17/15/77/595171577.db2.gz NBSZGDFELPDGDZ-CMPLNLGQSA-N 1 0 345.396 1.933 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1F ZINC000842699430 595173982 /nfs/dbraw/zinc/17/39/82/595173982.db2.gz OHRMLPOQCDCITC-QWRGUYRKSA-N 1 0 345.396 1.709 20 5 EDBDRO CC[C@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH3+] ZINC000834641195 595182611 /nfs/dbraw/zinc/18/26/11/595182611.db2.gz FKSSIINESCDXTK-FZMZJTMJSA-N 1 0 331.376 1.530 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1F ZINC000842747488 595187431 /nfs/dbraw/zinc/18/74/31/595187431.db2.gz IURYGYOLCNHXRY-NSHDSACASA-N 1 0 343.380 1.557 20 5 EDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000843792640 595187636 /nfs/dbraw/zinc/18/76/36/595187636.db2.gz SRDKGCBXGSVTBP-LLVKDONJSA-N 1 0 338.383 1.408 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000842764682 595191789 /nfs/dbraw/zinc/19/17/89/595191789.db2.gz IRUKSVLWTHHVJS-CYBMUJFWSA-N 1 0 345.808 1.622 20 5 EDBDRO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842788224 595199631 /nfs/dbraw/zinc/19/96/31/595199631.db2.gz GDJLSPJIRSVHMB-IUCAKERBSA-N 1 0 333.797 1.606 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000842799120 595203464 /nfs/dbraw/zinc/20/34/64/595203464.db2.gz VHYWBHMNCAVVEQ-ZYHUDNBSSA-N 1 0 345.396 1.790 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@](C)(C[NH3+])C2)cc([N+](=O)[O-])c1F ZINC000842849163 595215341 /nfs/dbraw/zinc/21/53/41/595215341.db2.gz WXLSOHYAFLEWSY-CYBMUJFWSA-N 1 0 331.369 1.402 20 5 EDBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000842887879 595226337 /nfs/dbraw/zinc/22/63/37/595226337.db2.gz NPCPQOCZSZYNMV-SECBINFHSA-N 1 0 346.365 1.135 20 5 EDBDRO CCC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](O)c1ccccc1 ZINC000843088030 595284159 /nfs/dbraw/zinc/28/41/59/595284159.db2.gz LVXZLLTWBYMUNT-IKGGRYGDSA-N 1 0 348.403 1.644 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)c1ccccn1 ZINC000843095597 595286517 /nfs/dbraw/zinc/28/65/17/595286517.db2.gz OHASOXQURDDBIJ-WFASDCNBSA-N 1 0 333.344 1.053 20 5 EDBDRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843103566 595287545 /nfs/dbraw/zinc/28/75/45/595287545.db2.gz BKQCQWYGCHEGCJ-NWANDNLSSA-N 1 0 326.393 1.376 20 5 EDBDRO Cc1c(C(=O)NCCC2(C[NH3+])CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000846692173 595302674 /nfs/dbraw/zinc/30/26/74/595302674.db2.gz QNGUMOBORLAONG-UHFFFAOYSA-N 1 0 336.348 1.979 20 5 EDBDRO C[N@@H+]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000848033074 595307856 /nfs/dbraw/zinc/30/78/56/595307856.db2.gz JRKHDANYRNESHE-UHFFFAOYSA-N 1 0 331.376 1.497 20 5 EDBDRO COC(=O)CC1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000844386090 595335267 /nfs/dbraw/zinc/33/52/67/595335267.db2.gz LPVWFKLZCAEVCD-UHFFFAOYSA-N 1 0 339.323 1.748 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(CN3CC[C@@H](c4ccc([N+](=O)[O-])cc4)C3=O)C[C@@H]21 ZINC000848488014 595393665 /nfs/dbraw/zinc/39/36/65/595393665.db2.gz DBWUWSFTPKBVKF-PVAVHDDUSA-N 1 0 344.415 1.504 20 5 EDBDRO C[C@@H]1CN(CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C[C@H](C)[N@H+]1C ZINC000848488719 595393915 /nfs/dbraw/zinc/39/39/15/595393915.db2.gz HXRPHBASIQUGGX-VBQJREDUSA-N 1 0 346.431 1.893 20 5 EDBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000852761377 595531505 /nfs/dbraw/zinc/53/15/05/595531505.db2.gz VJTPNZZWWUECTR-GGZOMVNGSA-N 1 0 344.774 1.946 20 5 EDBDRO O=C(NCC1CC[NH2+]CC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857763094 595598829 /nfs/dbraw/zinc/59/88/29/595598829.db2.gz PCFFNTINFLQNMB-UHFFFAOYSA-N 1 0 329.303 1.682 20 5 EDBDRO O=C(N1CCC2(CC[NH2+]2)CC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766811 595600771 /nfs/dbraw/zinc/60/07/71/595600771.db2.gz UAGHBYPABSPQCU-UHFFFAOYSA-N 1 0 341.314 1.921 20 5 EDBDRO C[NH2+]C[C@H]1CCCN1C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766864 595601014 /nfs/dbraw/zinc/60/10/14/595601014.db2.gz WPTGMTXKYCFNGZ-LLVKDONJSA-N 1 0 329.303 1.777 20 5 EDBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000855347148 595682076 /nfs/dbraw/zinc/68/20/76/595682076.db2.gz VNPISAVRPIFNOR-LBPRGKRZSA-N 1 0 337.424 1.179 20 5 EDBDRO COC(=O)c1ccnc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000856726386 596060586 /nfs/dbraw/zinc/06/05/86/596060586.db2.gz FHFWEMXGYOVCME-QWRGUYRKSA-N 1 0 336.348 1.052 20 5 EDBDRO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000852144833 596060964 /nfs/dbraw/zinc/06/09/64/596060964.db2.gz CXPXHFXORPKDHQ-ZDUSSCGKSA-N 1 0 332.360 1.957 20 5 EDBDRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C2 ZINC000857234418 596194196 /nfs/dbraw/zinc/19/41/96/596194196.db2.gz KFORFUBWXHQMBA-ZANVPECISA-N 1 0 329.353 1.236 20 5 EDBDRO Cc1ccc(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1[N+](=O)[O-] ZINC000866711198 596304079 /nfs/dbraw/zinc/30/40/79/596304079.db2.gz DZLKXVHNWNYBDT-BMFZPTHFSA-N 1 0 346.387 1.270 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)CC1 ZINC000870926390 596408573 /nfs/dbraw/zinc/40/85/73/596408573.db2.gz BGMLRDYFFGFCFJ-WMLDXEAASA-N 1 0 334.420 1.711 20 5 EDBDRO COc1ccc(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000870975654 596423408 /nfs/dbraw/zinc/42/34/08/596423408.db2.gz YVZDREDKRCJVCU-BTTYYORXSA-N 1 0 333.388 1.793 20 5 EDBDRO CCN(C(=O)C(=O)NCc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000867631279 596469698 /nfs/dbraw/zinc/46/96/98/596469698.db2.gz MQUYZIMLVGTFOL-AWEZNQCLSA-N 1 0 348.403 1.072 20 5 EDBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000863319139 596549478 /nfs/dbraw/zinc/54/94/78/596549478.db2.gz FOLQQUBCWWHNCG-SECBINFHSA-N 1 0 348.186 1.698 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000867808690 596561168 /nfs/dbraw/zinc/56/11/68/596561168.db2.gz OCCBJTSKTMBVLR-NWDGAFQWSA-N 1 0 325.390 1.310 20 5 EDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000867974830 596640856 /nfs/dbraw/zinc/64/08/56/596640856.db2.gz WOOPLQGJMPNDJA-MZMPZRCHSA-N 1 0 346.431 1.711 20 5 EDBDRO COCCC1(NC(=O)Cc2cccc([N+](=O)[O-])c2C)CC[NH2+]CC1 ZINC000868043038 596666238 /nfs/dbraw/zinc/66/62/38/596666238.db2.gz AYGKKFPTIODZFX-UHFFFAOYSA-N 1 0 335.404 1.721 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c([N+](=O)[O-])s1 ZINC000871815343 596710214 /nfs/dbraw/zinc/71/02/14/596710214.db2.gz FLUTZKSVKVQGRU-JOYOIKCWSA-N 1 0 331.419 1.195 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000866206758 596827111 /nfs/dbraw/zinc/82/71/11/596827111.db2.gz FVQOJFKVPVGMJM-DGCLKSJQSA-N 1 0 334.376 1.615 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1 ZINC000872222025 596841160 /nfs/dbraw/zinc/84/11/60/596841160.db2.gz MFZNESHKYYDZLE-RVXWQNRUSA-N 1 0 334.372 1.348 20 5 EDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Cn1ncc3ccc([N+](=O)[O-])cc31)C2 ZINC000872266214 596861626 /nfs/dbraw/zinc/86/16/26/596861626.db2.gz UUBXIFFOEDBTNY-CALCHBBNSA-N 1 0 343.387 1.403 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(Cn3c(=O)oc4cccc([N+](=O)[O-])c43)CC[C@@H]21 ZINC000872724798 597046863 /nfs/dbraw/zinc/04/68/63/597046863.db2.gz XQFKQYPINZLJFL-RYUDHWBXSA-N 1 0 332.360 1.486 20 5 EDBDRO C[C@H](Cc1cnccn1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000876976833 597403487 /nfs/dbraw/zinc/40/34/87/597403487.db2.gz RDYCFNDNDVEMCV-CYBMUJFWSA-N 1 0 342.403 1.969 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]CC2CCSCC2)cc1 ZINC000877036550 597418728 /nfs/dbraw/zinc/41/87/28/597418728.db2.gz GHDHBGCYDYJXKH-HUUCEWRRSA-N 1 0 326.418 1.722 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](CO)c3ccc(F)cc3)C2)c1 ZINC000877591016 597539645 /nfs/dbraw/zinc/53/96/45/597539645.db2.gz NJOSQXSPXARTNQ-LRVUVFPRSA-N 1 0 334.351 2.000 20 5 EDBDRO C[C@]12C[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@]1(C)C(=O)NC2=O ZINC000877668465 597546376 /nfs/dbraw/zinc/54/63/76/597546376.db2.gz JBBUKFKJLSBAGU-HUUCEWRRSA-N 1 0 337.763 1.733 20 5 EDBDRO COC(=O)CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CCOCC1 ZINC000878152532 597582341 /nfs/dbraw/zinc/58/23/41/597582341.db2.gz IZKJKTWEJFRDKU-UHFFFAOYSA-N 1 0 340.380 1.144 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)C1CC1 ZINC000878329643 597595920 /nfs/dbraw/zinc/59/59/20/597595920.db2.gz QRMNVFANVYZQOL-AWEZNQCLSA-N 1 0 349.387 1.826 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC([NH+]2CCN(C)CC2)CC1 ZINC000879590484 597647351 /nfs/dbraw/zinc/64/73/51/597647351.db2.gz FDTWVXIKDPXMJJ-UHFFFAOYSA-N 1 0 348.447 1.815 20 5 EDBDRO COCC[N@H+]1[C@H](C)CN(CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000878760584 597702743 /nfs/dbraw/zinc/70/27/43/597702743.db2.gz BQNORXIWSOJJPK-BETUJISGSA-N 1 0 325.413 1.141 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000878779384 597708356 /nfs/dbraw/zinc/70/83/56/597708356.db2.gz AMZWVICZMDMSIU-LBPRGKRZSA-N 1 0 349.387 1.828 20 5 EDBDRO CN(C(=O)CN1CC[C@@H]2[C@@H]1CCC[N@@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC000880132776 597851086 /nfs/dbraw/zinc/85/10/86/597851086.db2.gz FXMQVFNHBYRGJK-CVEARBPZSA-N 1 0 332.404 1.726 20 5 EDBDRO COC(=O)/C=C/c1ccc(NC[C@@H]2CSCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000882729031 598035115 /nfs/dbraw/zinc/03/51/15/598035115.db2.gz QTTXGNFTABTCEI-OGOUPESXSA-N 1 0 337.401 1.898 20 5 EDBDRO Cc1ccc(C(=O)NCC(=O)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000915649413 695960472 /nfs/dbraw/zinc/96/04/72/695960472.db2.gz SLKBXNQDGGZJLK-UHFFFAOYSA-N 1 0 348.403 1.235 20 5 EDBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@H](Cn4ccnn4)C3)c2c1 ZINC000154987865 697286371 /nfs/dbraw/zinc/28/63/71/697286371.db2.gz LAYFDVAAQAZETH-ZDUSSCGKSA-N 1 0 341.375 1.906 20 5 EDBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000921543704 703415328 /nfs/dbraw/zinc/41/53/28/703415328.db2.gz WTXZHIFIEUXYCO-CYBMUJFWSA-N 1 0 338.412 1.163 20 5 EDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1C[C@@H]3COC[C@@H]3O1)OCCO2 ZINC000922729520 704293096 /nfs/dbraw/zinc/29/30/96/704293096.db2.gz ITVLAXWZRMLXKQ-HSMVNMDESA-N 1 0 336.344 1.260 20 5 EDBDRO O=C(NC1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002788083 709394246 /nfs/dbraw/zinc/39/42/46/709394246.db2.gz NCMHZOMWLJIFSP-NVXWUHKLSA-N 1 0 342.399 1.914 20 5 EDBDRO O=C(N[C@H]1CC[C@H]([NH2+]CC2CCOCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034644876 710321012 /nfs/dbraw/zinc/32/10/12/710321012.db2.gz MJFSMNFRSGDBKD-KBUPBQIOSA-N 1 0 325.409 1.095 20 5 EDBDRO Cc1nn[nH]c1C(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001003415531 710330668 /nfs/dbraw/zinc/33/06/68/710330668.db2.gz HAJJWHDVMGFBKF-UHFFFAOYSA-N 1 0 344.375 1.416 20 5 EDBDRO C[C@@]1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCC[NH2+]1 ZINC000180903110 234024604 /nfs/dbraw/zinc/02/46/04/234024604.db2.gz BZQXXSDHRXNQFX-KRWDZBQOSA-N 1 0 332.404 1.776 20 5 EDBDRO O=C(C[NH2+][C@@H](CO)c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000183631658 235174773 /nfs/dbraw/zinc/17/47/73/235174773.db2.gz PQLXLXRGMCSOKM-INIZCTEOSA-N 1 0 341.367 1.807 20 5 EDBDRO COCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000184364733 235377726 /nfs/dbraw/zinc/37/77/26/235377726.db2.gz KJFFAYVMXZAJLF-UHFFFAOYSA-N 1 0 336.392 1.408 20 5 EDBDRO CNC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000026341693 202141227 /nfs/dbraw/zinc/14/12/27/202141227.db2.gz JTBKBFBVMWHUIJ-UHFFFAOYSA-N 1 0 334.376 1.381 20 5 EDBDRO C[N@H+](CCc1ccccn1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000124988263 138331276 /nfs/dbraw/zinc/33/12/76/138331276.db2.gz DHBCAZUSXSPNHF-INIZCTEOSA-N 1 0 331.372 1.904 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000186980327 236085163 /nfs/dbraw/zinc/08/51/63/236085163.db2.gz MNGMFDLGUUMJSQ-CQSZACIVSA-N 1 0 348.334 1.867 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000187214784 236148495 /nfs/dbraw/zinc/14/84/95/236148495.db2.gz CLNSOICOZGSACA-YVEFUNNKSA-N 1 0 345.403 1.907 20 5 EDBDRO C[C@@H]1C[NH2+]CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000125353473 237162847 /nfs/dbraw/zinc/16/28/47/237162847.db2.gz LOLWFXZAMJOWSC-CQSZACIVSA-N 1 0 335.407 1.975 20 5 EDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000262779668 291194839 /nfs/dbraw/zinc/19/48/39/291194839.db2.gz OMTDPLFVYUNNCT-RKDXNWHRSA-N 1 0 333.797 1.619 20 5 EDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000193336258 283658998 /nfs/dbraw/zinc/65/89/98/283658998.db2.gz QYUYHSMUIILEGY-SNVBAGLBSA-N 1 0 347.824 1.929 20 5 EDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000153020577 201393203 /nfs/dbraw/zinc/39/32/03/201393203.db2.gz WZWAQQRDWAZNCB-AWEZNQCLSA-N 1 0 327.406 1.359 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000090321974 202969668 /nfs/dbraw/zinc/96/96/68/202969668.db2.gz AXYLVAFDMGJQGM-DTORHVGOSA-N 1 0 331.781 1.088 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000191827904 138925486 /nfs/dbraw/zinc/92/54/86/138925486.db2.gz QNOLHCSZMRPZNJ-ZDUSSCGKSA-N 1 0 335.408 1.759 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000414999607 304149718 /nfs/dbraw/zinc/14/97/18/304149718.db2.gz KKPMGOWNUDCSGH-MFKMUULPSA-N 1 0 342.346 1.899 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000114210656 204467177 /nfs/dbraw/zinc/46/71/77/204467177.db2.gz RPSPDYLSJNPFKL-LBPRGKRZSA-N 1 0 327.406 1.475 20 5 EDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000236609363 139026828 /nfs/dbraw/zinc/02/68/28/139026828.db2.gz RJEAWJVDDNIXNK-SECBINFHSA-N 1 0 328.166 1.839 20 5 EDBDRO Cc1c(C(=O)N[C@@H](C[NH3+])CC(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000236619722 139027119 /nfs/dbraw/zinc/02/71/19/139027119.db2.gz PMKGPZLCJZVILO-GFCCVEGCSA-N 1 0 346.391 1.587 20 5 EDBDRO O=C(C[N@@H+]1CC[C@@]2(CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000153690016 204863116 /nfs/dbraw/zinc/86/31/16/204863116.db2.gz VLZLXRNNXLUUCH-QGZVFWFLSA-N 1 0 331.372 1.596 20 5 EDBDRO COc1cc(OCC(=O)N[C@](C)(C[NH3+])CC(C)C)ccc1[N+](=O)[O-] ZINC000237087401 139040248 /nfs/dbraw/zinc/04/02/48/139040248.db2.gz FVDVXACYQHODMG-INIZCTEOSA-N 1 0 339.392 1.862 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000130052688 205222548 /nfs/dbraw/zinc/22/25/48/205222548.db2.gz DGMXBHWOVCUECS-ZDUSSCGKSA-N 1 0 341.433 1.252 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000237478122 139052254 /nfs/dbraw/zinc/05/22/54/139052254.db2.gz HDIJXHPRNULRHJ-WCQYABFASA-N 1 0 327.406 1.484 20 5 EDBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1F ZINC000131258056 205280435 /nfs/dbraw/zinc/28/04/35/205280435.db2.gz PXWJTNIRNFKQGD-CYBMUJFWSA-N 1 0 339.367 1.701 20 5 EDBDRO [NH3+][C@@H]1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000132422506 205324869 /nfs/dbraw/zinc/32/48/69/205324869.db2.gz KIEPMDADGJAFDK-SNVBAGLBSA-N 1 0 346.309 1.975 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)cc1C ZINC000237666949 139057436 /nfs/dbraw/zinc/05/74/36/139057436.db2.gz SNPIYHNQCNPBBI-GFCCVEGCSA-N 1 0 327.406 1.490 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000237738717 139059202 /nfs/dbraw/zinc/05/92/02/139059202.db2.gz MRTQUKLCGJCVEP-UHFFFAOYSA-N 1 0 327.406 1.843 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000237893144 139062975 /nfs/dbraw/zinc/06/29/75/139062975.db2.gz DJCFZCLDUNDHJP-UONOGXRCSA-N 1 0 332.404 1.761 20 5 EDBDRO COc1cccc([C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000158954806 206217365 /nfs/dbraw/zinc/21/73/65/206217365.db2.gz BCWYNPQXJWDWMR-LBPRGKRZSA-N 1 0 333.348 1.359 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](CCO)C(C)C ZINC000161743310 206367856 /nfs/dbraw/zinc/36/78/56/206367856.db2.gz TYUMHSHHCYXVJU-ZDUSSCGKSA-N 1 0 339.392 1.929 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415343744 304198481 /nfs/dbraw/zinc/19/84/81/304198481.db2.gz CCNHSGBTHPMZGJ-DGCLKSJQSA-N 1 0 348.403 1.600 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000247640793 139153210 /nfs/dbraw/zinc/15/32/10/139153210.db2.gz SWBMGUCZGDXLDJ-WMLDXEAASA-N 1 0 348.378 1.856 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2CCC(CC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000568762248 306488941 /nfs/dbraw/zinc/48/89/41/306488941.db2.gz FUPGDQORHZETQX-UHFFFAOYSA-N 1 0 348.403 1.220 20 5 EDBDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C(N)=O)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000248402512 139162201 /nfs/dbraw/zinc/16/22/01/139162201.db2.gz VJTXKLTZPKEOSR-TUAOUCFPSA-N 1 0 334.376 1.556 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249244859 139189545 /nfs/dbraw/zinc/18/95/45/139189545.db2.gz XCFJUDJRFQXZFP-STQMWFEESA-N 1 0 348.403 1.783 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCO1 ZINC000415449181 304221464 /nfs/dbraw/zinc/22/14/64/304221464.db2.gz VKVIWZMPDDEVGN-VIFPVBQESA-N 1 0 348.281 1.805 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000261652252 139214696 /nfs/dbraw/zinc/21/46/96/139214696.db2.gz BCKHSMLBZABNHR-AWEZNQCLSA-N 1 0 332.404 1.352 20 5 EDBDRO C[C@]1(C[NH3+])CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000261704196 139219112 /nfs/dbraw/zinc/21/91/12/139219112.db2.gz OOMLKMZQDKCWJU-GFCCVEGCSA-N 1 0 333.797 1.608 20 5 EDBDRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000261719564 139220170 /nfs/dbraw/zinc/22/01/70/139220170.db2.gz PWYUPVBOUZZSPE-LBPRGKRZSA-N 1 0 333.797 1.608 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261869281 139232767 /nfs/dbraw/zinc/23/27/67/139232767.db2.gz LCCMPEBPLYJWKR-UBHSHLNASA-N 1 0 339.417 1.651 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000261932708 139238228 /nfs/dbraw/zinc/23/82/28/139238228.db2.gz SXSJECVUBINEGY-AWEZNQCLSA-N 1 0 341.433 1.960 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cc([N+](=O)[O-])c1OC ZINC000261918771 139236937 /nfs/dbraw/zinc/23/69/37/139236937.db2.gz YOSZOPPHNPETMJ-CMPLNLGQSA-N 1 0 337.376 1.811 20 5 EDBDRO CNS(=O)(=O)c1ccc(N[C@@H](C[NH3+])C2CCCC2)c([N+](=O)[O-])c1 ZINC000261959515 139240058 /nfs/dbraw/zinc/24/00/58/139240058.db2.gz XKNPPRJDECRIML-ZDUSSCGKSA-N 1 0 342.421 1.432 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C)N(CCO)C[C@@H]1C ZINC000416996063 251122905 /nfs/dbraw/zinc/12/29/05/251122905.db2.gz MGAMLLDTAHPNPL-STQMWFEESA-N 1 0 336.392 1.822 20 5 EDBDRO [NH3+][C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000262309291 139268924 /nfs/dbraw/zinc/26/89/24/139268924.db2.gz YQMVMKPHXWJBCS-DLBZAZTESA-N 1 0 341.367 1.927 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000175548380 207137204 /nfs/dbraw/zinc/13/72/04/207137204.db2.gz LJCBZPWBJOERSE-QWHCGFSZSA-N 1 0 347.419 1.931 20 5 EDBDRO [NH3+][C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000262338808 139271400 /nfs/dbraw/zinc/27/14/00/139271400.db2.gz SMIJBMQFIYYNOW-JKSUJKDBSA-N 1 0 347.396 1.710 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000415577448 304230524 /nfs/dbraw/zinc/23/05/24/304230524.db2.gz AIWZVCOYUWXEGM-XQQFMLRXSA-N 1 0 346.387 1.346 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417763428 251261753 /nfs/dbraw/zinc/26/17/53/251261753.db2.gz KLKATGHMJBXQDQ-GASCZTMLSA-N 1 0 332.404 1.778 20 5 EDBDRO CC1(C)CCC[NH2+][C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262549386 139285902 /nfs/dbraw/zinc/28/59/02/139285902.db2.gz SEABOGURKGXQPG-ZDUSSCGKSA-N 1 0 327.406 1.651 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000262732223 139299728 /nfs/dbraw/zinc/29/97/28/139299728.db2.gz DULKJCDNRNEYSG-NEPJUHHUSA-N 1 0 325.390 1.418 20 5 EDBDRO COC(=O)c1cc(NC(=O)N2CC[NH2+]C[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000415597299 304235810 /nfs/dbraw/zinc/23/58/10/304235810.db2.gz IZSNLTYDOMOGRU-VIFPVBQESA-N 1 0 336.348 1.515 20 5 EDBDRO Cc1c(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000262834909 139306847 /nfs/dbraw/zinc/30/68/47/139306847.db2.gz QRZKLEZLAXDYJB-HZMBPMFUSA-N 1 0 344.375 1.212 20 5 EDBDRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000423670929 252065836 /nfs/dbraw/zinc/06/58/36/252065836.db2.gz MTDAJOJXTUGVSK-PRHODGIISA-N 1 0 342.193 1.848 20 5 EDBDRO COc1ccc(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)cc1[N+](=O)[O-] ZINC000424193730 252158472 /nfs/dbraw/zinc/15/84/72/252158472.db2.gz RECYHXUJCWHNKP-NSHDSACASA-N 1 0 346.347 1.372 20 5 EDBDRO Cn1cc([C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]2[NH3+])cn1 ZINC000424412802 252217578 /nfs/dbraw/zinc/21/75/78/252217578.db2.gz BPIVHRVMAGQJOI-UONOGXRCSA-N 1 0 330.348 1.287 20 5 EDBDRO CCCN(C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000178889289 207546953 /nfs/dbraw/zinc/54/69/53/207546953.db2.gz LQVPDXQZURKMAR-WFASDCNBSA-N 1 0 348.403 1.314 20 5 EDBDRO CCCC[N@H+](C)CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000112311427 220300031 /nfs/dbraw/zinc/30/00/31/220300031.db2.gz UVQOKQHFWAXRMW-UHFFFAOYSA-N 1 0 346.391 1.637 20 5 EDBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261627990 285171339 /nfs/dbraw/zinc/17/13/39/285171339.db2.gz GZHFNCQKCRRVNM-JTQLQIEISA-N 1 0 345.325 1.493 20 5 EDBDRO C[C@@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000261980409 296397362 /nfs/dbraw/zinc/39/73/62/296397362.db2.gz AHOSDKGUNVMEGU-BXKDBHETSA-N 1 0 331.369 1.482 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cnn(C)c1C ZINC000183344842 533138478 /nfs/dbraw/zinc/13/84/78/533138478.db2.gz QISWCROAYVANIE-SNVBAGLBSA-N 1 0 347.375 1.935 20 5 EDBDRO CC[N@@H+]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000487758821 255034560 /nfs/dbraw/zinc/03/45/60/255034560.db2.gz XZECCCZPSSMNCT-JTQLQIEISA-N 1 0 327.331 1.968 20 5 EDBDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000488748283 255052215 /nfs/dbraw/zinc/05/22/15/255052215.db2.gz GQRLPIRCVYTQGE-BXUZGUMPSA-N 1 0 347.375 1.536 20 5 EDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000488837895 255056693 /nfs/dbraw/zinc/05/66/93/255056693.db2.gz KSQMIZLOFSZDLP-GFCCVEGCSA-N 1 0 337.351 1.528 20 5 EDBDRO C[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)[N@@H+]1CCCC[C@H]1C ZINC000490339883 255085146 /nfs/dbraw/zinc/08/51/46/255085146.db2.gz DAPHAFAFBILGSN-CHWSQXEVSA-N 1 0 338.412 1.353 20 5 EDBDRO C[C@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000493630554 255217286 /nfs/dbraw/zinc/21/72/86/255217286.db2.gz ZNBSATHEYJTNQT-PSKZRQQASA-N 1 0 332.404 1.360 20 5 EDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000493272381 255200996 /nfs/dbraw/zinc/20/09/96/255200996.db2.gz NPZICWRRIWTOQK-GODNBWANSA-N 1 0 333.388 1.522 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000118102979 221118096 /nfs/dbraw/zinc/11/80/96/221118096.db2.gz IHOAPPIZCFMHKM-CQSZACIVSA-N 1 0 334.376 1.298 20 5 EDBDRO CC(C)[C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[NH+](C)C ZINC000118690722 221171111 /nfs/dbraw/zinc/17/11/11/221171111.db2.gz UKPKSXUNJASZAY-DOMZBBRYSA-N 1 0 335.408 1.589 20 5 EDBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264128970 139381903 /nfs/dbraw/zinc/38/19/03/139381903.db2.gz LZQBYVHBYOKLMX-LBPRGKRZSA-N 1 0 329.422 1.745 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000264221967 139387926 /nfs/dbraw/zinc/38/79/26/139387926.db2.gz WEEPCTMHHBCYJM-UHFFFAOYSA-N 1 0 343.355 1.149 20 5 EDBDRO C[NH+](C)CCn1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000570863861 306553133 /nfs/dbraw/zinc/55/31/33/306553133.db2.gz LPKDBOHWVBLEIL-UHFFFAOYSA-N 1 0 346.391 1.195 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1C ZINC000370176231 291994513 /nfs/dbraw/zinc/99/45/13/291994513.db2.gz WLESIRCEBGAMFF-JSGCOSHPSA-N 1 0 339.417 1.584 20 5 EDBDRO Cn1cc(C[NH2+]C[C@@]2(O)CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000269977672 140027541 /nfs/dbraw/zinc/02/75/41/140027541.db2.gz MNJNNVHDHSSWHR-INIZCTEOSA-N 1 0 332.360 1.236 20 5 EDBDRO CNC(=O)c1ccc(N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000270343252 140082345 /nfs/dbraw/zinc/08/23/45/140082345.db2.gz FNBVGDHZHFJHKL-ZIAGYGMSSA-N 1 0 338.433 1.436 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)n1 ZINC000270773699 140166028 /nfs/dbraw/zinc/16/60/28/140166028.db2.gz IIGPBEXGOVQDRG-UHFFFAOYSA-N 1 0 349.366 1.671 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC2=CC[N@H+](C)CC2)cc1OC ZINC000271880656 140366328 /nfs/dbraw/zinc/36/63/28/140366328.db2.gz NAMBVOIAEPPTEB-UHFFFAOYSA-N 1 0 349.387 1.994 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000332226823 141143440 /nfs/dbraw/zinc/14/34/40/141143440.db2.gz NGPBPFNIKKBWFR-RYUDHWBXSA-N 1 0 333.392 1.358 20 5 EDBDRO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000337290510 141566430 /nfs/dbraw/zinc/56/64/30/141566430.db2.gz OCHHDPOKSQITIY-KBPBESRZSA-N 1 0 341.433 1.711 20 5 EDBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c1 ZINC000339759977 142147724 /nfs/dbraw/zinc/14/77/24/142147724.db2.gz KPMLTTQAYNAQTC-SJORKVTESA-N 1 0 336.388 1.883 20 5 EDBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000346163019 143174001 /nfs/dbraw/zinc/17/40/01/143174001.db2.gz CTSXLCPGCUDCFO-GUTXKFCHSA-N 1 0 335.408 1.370 20 5 EDBDRO CCOCCC[N@@H+]1CC[C@@H](NCc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000346553045 143215984 /nfs/dbraw/zinc/21/59/84/143215984.db2.gz FSLYMOOAKBTKNT-UONOGXRCSA-N 1 0 339.440 1.555 20 5 EDBDRO CO[C@@H]1C[C@@H](CN(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[N@H+](C)C1 ZINC000346708896 143235825 /nfs/dbraw/zinc/23/58/25/143235825.db2.gz SCINGKCUIHQIMI-QWHCGFSZSA-N 1 0 346.387 1.867 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC1CC[NH+](C)CC1 ZINC000346726881 143238484 /nfs/dbraw/zinc/23/84/84/143238484.db2.gz FQCOOSPIGJOBON-GFCCVEGCSA-N 1 0 348.403 1.171 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2[C@@H](CO)CC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000347301953 143305653 /nfs/dbraw/zinc/30/56/53/143305653.db2.gz FCJFUYOERMAMDP-BETUJISGSA-N 1 0 337.376 1.049 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000348146446 143405600 /nfs/dbraw/zinc/40/56/00/143405600.db2.gz FGYYPPYTKSSPGS-ZIAGYGMSSA-N 1 0 334.376 1.428 20 5 EDBDRO CC[NH+](CC)C[C@@H](C)Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000350737406 143551152 /nfs/dbraw/zinc/55/11/52/143551152.db2.gz PKXWKCVHEATEPK-SNVBAGLBSA-N 1 0 330.410 1.384 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)[C@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000352697626 149120939 /nfs/dbraw/zinc/12/09/39/149120939.db2.gz LLXCNQHPRIKJDX-VZJVUDMVSA-N 1 0 337.376 1.776 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](COC(F)F)C2)c1 ZINC000353025746 149258002 /nfs/dbraw/zinc/25/80/02/149258002.db2.gz SDJCTKJUMDSUOA-WCQYABFASA-N 1 0 346.330 1.896 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000355390333 150249598 /nfs/dbraw/zinc/24/95/98/150249598.db2.gz UXBLCTDZFAFVDJ-HOTGVXAUSA-N 1 0 333.388 1.459 20 5 EDBDRO O=C([C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1)N1CCCCCC1 ZINC000369994155 155271146 /nfs/dbraw/zinc/27/11/46/155271146.db2.gz GMCWHIXIWRAEIC-HNNXBMFYSA-N 1 0 349.435 1.906 20 5 EDBDRO O=C([C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1)N1CCCCC1 ZINC000370002940 155276566 /nfs/dbraw/zinc/27/65/66/155276566.db2.gz VCTIBBFOLZZYER-CQSZACIVSA-N 1 0 335.408 1.516 20 5 EDBDRO CC[C@H]([NH2+]C[C@H]1CS(=O)(=O)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000358304482 151331295 /nfs/dbraw/zinc/33/12/95/151331295.db2.gz XRCTUPDFXANDDB-KBPBESRZSA-N 1 0 328.390 1.449 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000360654346 152139833 /nfs/dbraw/zinc/13/98/33/152139833.db2.gz ULLRHPDJEYRRBE-AAEUAGOBSA-N 1 0 341.433 1.918 20 5 EDBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000360820703 152219127 /nfs/dbraw/zinc/21/91/27/152219127.db2.gz WMHZDMGQDRXDDD-KRWDZBQOSA-N 1 0 347.371 1.121 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000417178016 304380770 /nfs/dbraw/zinc/38/07/70/304380770.db2.gz KXESUIWOIBWPER-GFCCVEGCSA-N 1 0 336.392 1.874 20 5 EDBDRO COc1ccc(OCC[N@H+](CCO)[C@@H]2CCO[C@H]2C)c([N+](=O)[O-])c1 ZINC000361587836 286346406 /nfs/dbraw/zinc/34/64/06/286346406.db2.gz XBRDODWIUQRPLV-GXTWGEPZSA-N 1 0 340.376 1.454 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363834910 153070413 /nfs/dbraw/zinc/07/04/13/153070413.db2.gz RRDDXURLYFKFSZ-DKTLHIEFSA-N 1 0 345.399 1.978 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363834913 153070427 /nfs/dbraw/zinc/07/04/27/153070427.db2.gz RRDDXURLYFKFSZ-FIRJTHROSA-N 1 0 345.399 1.978 20 5 EDBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000364639541 153291155 /nfs/dbraw/zinc/29/11/55/153291155.db2.gz CGELELZJJKXYSG-HZSPNIEDSA-N 1 0 335.429 1.884 20 5 EDBDRO COc1ccc(CNC(=O)N2CCC3(CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000417200124 304383902 /nfs/dbraw/zinc/38/39/02/304383902.db2.gz STCZCFWREPUIJG-UHFFFAOYSA-N 1 0 348.403 1.889 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000272199966 292296008 /nfs/dbraw/zinc/29/60/08/292296008.db2.gz AJMIJMHJZLWNNB-STQMWFEESA-N 1 0 341.433 1.965 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000367583822 154188004 /nfs/dbraw/zinc/18/80/04/154188004.db2.gz SWROOBLBNFNQKL-GXFFZTMASA-N 1 0 343.380 1.449 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000372790540 156536490 /nfs/dbraw/zinc/53/64/90/156536490.db2.gz LYEXXFQOEQFKEJ-CABCVRRESA-N 1 0 339.417 1.795 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@](O)(C4CC4)C3)o2)cc1 ZINC000373911905 157062198 /nfs/dbraw/zinc/06/21/98/157062198.db2.gz STDKEPGQXJYJET-MRXNPFEDSA-N 1 0 330.344 1.992 20 5 EDBDRO COC(=O)[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1c1ccccc1 ZINC000374172927 157177032 /nfs/dbraw/zinc/17/70/32/157177032.db2.gz OHMWCGAUXJWSCM-UONOGXRCSA-N 1 0 344.371 1.717 20 5 EDBDRO O=c1[nH]c(N2CCC[N@@H+]3CCC[C@H]3C2)nc2ccc([N+](=O)[O-])cc21 ZINC000376231569 157751253 /nfs/dbraw/zinc/75/12/53/157751253.db2.gz RYFBHOPFACHXSA-LBPRGKRZSA-N 1 0 329.360 1.918 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC([NH2+]C3CCCC3)CC2)c1 ZINC000377886805 158020658 /nfs/dbraw/zinc/02/06/58/158020658.db2.gz GREWSUKFQVSAOL-INIZCTEOSA-N 1 0 337.424 1.149 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000272949310 161575882 /nfs/dbraw/zinc/57/58/82/161575882.db2.gz DIWHQMLGIKGXSB-SJKOYZFVSA-N 1 0 348.403 1.219 20 5 EDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)OCCO ZINC000352516935 162225420 /nfs/dbraw/zinc/22/54/20/162225420.db2.gz AUFUFZJEGNSDPR-GFCCVEGCSA-N 1 0 339.392 1.689 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000067595259 287246360 /nfs/dbraw/zinc/24/63/60/287246360.db2.gz XEGPFRQNNSRPLP-AWEZNQCLSA-N 1 0 334.420 1.659 20 5 EDBDRO CCC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000273381488 268038210 /nfs/dbraw/zinc/03/82/10/268038210.db2.gz SZEDIZJWYDTDEX-ZDUSSCGKSA-N 1 0 326.393 1.817 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+][C@H](CCO)C(C)C)c([N+](=O)[O-])c1 ZINC000274128121 268107295 /nfs/dbraw/zinc/10/72/95/268107295.db2.gz XZRCAODZTFWXIR-GFCCVEGCSA-N 1 0 325.365 1.539 20 5 EDBDRO COc1ccc(CNC(=O)N(C)CC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000274531571 268158260 /nfs/dbraw/zinc/15/82/60/268158260.db2.gz QXWNVPPBIVRFGI-UHFFFAOYSA-N 1 0 336.392 1.839 20 5 EDBDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000274885934 268230409 /nfs/dbraw/zinc/23/04/09/268230409.db2.gz KFPOQIDCHCXYSJ-CQSZACIVSA-N 1 0 342.355 1.700 20 5 EDBDRO C[NH+](C)C1(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000275522951 268354824 /nfs/dbraw/zinc/35/48/24/268354824.db2.gz VRUSXWHWAZQHAG-UHFFFAOYSA-N 1 0 327.406 1.499 20 5 EDBDRO CC(C)c1ccc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000275902013 268383534 /nfs/dbraw/zinc/38/35/34/268383534.db2.gz RVYKWTZOSRCSBB-AWEZNQCLSA-N 1 0 334.420 1.694 20 5 EDBDRO COCC1(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]CC1 ZINC000279919394 268887368 /nfs/dbraw/zinc/88/73/68/268887368.db2.gz NGQCPSUCQSRFJK-UHFFFAOYSA-N 1 0 341.795 1.881 20 5 EDBDRO O=[N+]([O-])c1cnc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)nc1 ZINC000273665877 273050766 /nfs/dbraw/zinc/05/07/66/273050766.db2.gz WXQHCLIWYLVZAE-UHFFFAOYSA-N 1 0 347.404 1.929 20 5 EDBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)NC ZINC000275983537 273139318 /nfs/dbraw/zinc/13/93/18/273139318.db2.gz YKRYUVJIOGUABY-LLVKDONJSA-N 1 0 347.462 1.604 20 5 EDBDRO C[C@@H]1COCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000277452715 273199536 /nfs/dbraw/zinc/19/95/36/273199536.db2.gz MBANCSMSWSHCSX-RISCZKNCSA-N 1 0 328.390 1.383 20 5 EDBDRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000155142630 287655741 /nfs/dbraw/zinc/65/57/41/287655741.db2.gz LTQDSUIOTODMRH-VXGBXAGGSA-N 1 0 349.387 1.460 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000281526384 273486702 /nfs/dbraw/zinc/48/67/02/273486702.db2.gz STQYPMWUFMHBTB-UHFFFAOYSA-N 1 0 348.403 1.786 20 5 EDBDRO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000282449626 273653739 /nfs/dbraw/zinc/65/37/39/273653739.db2.gz SIYVKIMZJJDOMI-GZMMTYOYSA-N 1 0 340.767 1.443 20 5 EDBDRO C[C@@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000282655042 273695411 /nfs/dbraw/zinc/69/54/11/273695411.db2.gz AZILYYCNCPQEFH-BXUZGUMPSA-N 1 0 346.387 1.713 20 5 EDBDRO CN1CCO[C@H]2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@H]21 ZINC000284474264 274215248 /nfs/dbraw/zinc/21/52/48/274215248.db2.gz MBRVRIIIBSRBRE-OLZOCXBDSA-N 1 0 339.779 1.793 20 5 EDBDRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)c1c([N+](=O)[O-])ncn1C ZINC000284940517 274395380 /nfs/dbraw/zinc/39/53/80/274395380.db2.gz QLNUASDJBMYNSG-GXTWGEPZSA-N 1 0 347.423 1.581 20 5 EDBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285120748 274457722 /nfs/dbraw/zinc/45/77/22/274457722.db2.gz MOISVJGDANBWQG-UHFFFAOYSA-N 1 0 335.339 1.661 20 5 EDBDRO CC(C)[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000270924854 275700351 /nfs/dbraw/zinc/70/03/51/275700351.db2.gz DIDCBKXIFIIEAH-ZDUSSCGKSA-N 1 0 337.424 1.815 20 5 EDBDRO CC[C@@H](C)[NH+]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000450856250 276417562 /nfs/dbraw/zinc/41/75/62/276417562.db2.gz HTIFKTAZZMPZQI-LLVKDONJSA-N 1 0 342.421 1.163 20 5 EDBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000359909060 276823645 /nfs/dbraw/zinc/82/36/45/276823645.db2.gz XYYCEULCWIATKU-ZDUSSCGKSA-N 1 0 326.784 1.856 20 5 EDBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000161050571 277033060 /nfs/dbraw/zinc/03/30/60/277033060.db2.gz YUZKSAVIHBORQQ-GFCCVEGCSA-N 1 0 327.406 1.584 20 5 EDBDRO CS(=O)(=O)NCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192631162 278112510 /nfs/dbraw/zinc/11/25/10/278112510.db2.gz BIMPXGPGHANJSA-CQSZACIVSA-N 1 0 327.406 1.501 20 5 EDBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000286494666 288019500 /nfs/dbraw/zinc/01/95/00/288019500.db2.gz MAZLLFMCWRLRJA-IKOBMHHLSA-N 1 0 345.399 1.913 20 5 EDBDRO CC(C)(C)[NH2+]CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000353690734 278370030 /nfs/dbraw/zinc/37/00/30/278370030.db2.gz JGFFKWLILBSQQJ-UHFFFAOYSA-N 1 0 336.392 1.219 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c1 ZINC000450896085 281012315 /nfs/dbraw/zinc/01/23/15/281012315.db2.gz ZRLMVHRYPMVAEL-CQSZACIVSA-N 1 0 332.404 1.694 20 5 EDBDRO Cc1nn(C)c(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000377704920 447305229 /nfs/dbraw/zinc/30/52/29/447305229.db2.gz OCVRQMGBPKNTCA-WFASDCNBSA-N 1 0 347.423 1.865 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)[C@H](C)OC ZINC000290481908 288905553 /nfs/dbraw/zinc/90/55/53/288905553.db2.gz HHKGCJQFKMNSQG-MXWKQRLJSA-N 1 0 325.365 1.943 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000291275518 289029697 /nfs/dbraw/zinc/02/96/97/289029697.db2.gz LNEKLQUROINPBY-UHFFFAOYSA-N 1 0 348.403 1.648 20 5 EDBDRO C[C@@H](CCCC[NH3+])NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000292153535 289274942 /nfs/dbraw/zinc/27/49/42/289274942.db2.gz UNDMBKUBACJQAM-LBPRGKRZSA-N 1 0 336.392 1.348 20 5 EDBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000261850254 295234447 /nfs/dbraw/zinc/23/44/47/295234447.db2.gz DJQPTVJNJRWXTB-SNVBAGLBSA-N 1 0 326.784 1.540 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000420423036 304756699 /nfs/dbraw/zinc/75/66/99/304756699.db2.gz MRNSRXHBTUZDIM-NEPJUHHUSA-N 1 0 327.406 1.149 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000420442855 304758665 /nfs/dbraw/zinc/75/86/65/304758665.db2.gz KUBZLKTZAHKHAV-GFCCVEGCSA-N 1 0 349.359 1.433 20 5 EDBDRO CCOc1cc(NC(=O)N(C)C2C[NH2+]C2)c([N+](=O)[O-])cc1OCC ZINC000414753570 447322088 /nfs/dbraw/zinc/32/20/88/447322088.db2.gz DWFOSEXNFKQJES-UHFFFAOYSA-N 1 0 338.364 1.828 20 5 EDBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)OCO2 ZINC000174705636 302953589 /nfs/dbraw/zinc/95/35/89/302953589.db2.gz LOEDEYQHWHMOPZ-GXFFZTMASA-N 1 0 334.332 1.232 20 5 EDBDRO CC1(C)OCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000293655602 302998867 /nfs/dbraw/zinc/99/88/67/302998867.db2.gz IUWSXWFKHBVYFM-CYBMUJFWSA-N 1 0 343.405 1.030 20 5 EDBDRO COc1cc(C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000294881377 303152461 /nfs/dbraw/zinc/15/24/61/303152461.db2.gz IAYGFLLAUZZVFY-ZANVPECISA-N 1 0 325.340 1.765 20 5 EDBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000295041459 303166350 /nfs/dbraw/zinc/16/63/50/303166350.db2.gz MRWJITVQJBFBBO-JSGCOSHPSA-N 1 0 343.449 1.833 20 5 EDBDRO Cc1cc(Cl)c(C(=O)N(C)CCN2CCOCC2)cc1[N+](=O)[O-] ZINC000295366845 303209807 /nfs/dbraw/zinc/20/98/07/303209807.db2.gz WJRCFJPRZMGUKP-UHFFFAOYSA-N 1 0 341.795 1.961 20 5 EDBDRO CCN1CCN(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000295427099 303217386 /nfs/dbraw/zinc/21/73/86/303217386.db2.gz VLYKBSOWGNNGHX-SNVBAGLBSA-N 1 0 325.340 1.909 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000295824833 303272680 /nfs/dbraw/zinc/27/26/80/303272680.db2.gz VOWBKMYVTSMSMX-WDEREUQCSA-N 1 0 325.365 1.539 20 5 EDBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000298477436 303527221 /nfs/dbraw/zinc/52/72/21/303527221.db2.gz SYCPKLUYHVSSNB-LLVKDONJSA-N 1 0 342.421 1.529 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@H]2C[NH2+]CCC2(F)F)n1 ZINC000423466549 304896937 /nfs/dbraw/zinc/89/69/37/304896937.db2.gz ASDXCADJWAPBLH-UTUOFQBUSA-N 1 0 329.351 1.862 20 5 EDBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423745889 304907722 /nfs/dbraw/zinc/90/77/22/304907722.db2.gz OQRDDUWCNYEGQB-NSHDSACASA-N 1 0 330.344 1.251 20 5 EDBDRO Cc1c(CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)cccc1[N+](=O)[O-] ZINC000423816498 304910232 /nfs/dbraw/zinc/91/02/32/304910232.db2.gz XWKWZQPIGANACC-ZDUSSCGKSA-N 1 0 344.375 1.349 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000423964932 304921379 /nfs/dbraw/zinc/92/13/79/304921379.db2.gz VPVIWOOAGSVZLH-XCBNKYQSSA-N 1 0 328.166 1.777 20 5 EDBDRO C[C@H](NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000424098695 304928878 /nfs/dbraw/zinc/92/88/78/304928878.db2.gz LFBJQERXCBYZAF-SMDDNHRTSA-N 1 0 344.375 1.602 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[C@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000428043092 305005244 /nfs/dbraw/zinc/00/52/44/305005244.db2.gz FBSCUMMVFKAHFD-TZMCWYRMSA-N 1 0 348.403 1.616 20 5 EDBDRO COc1cc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1OC ZINC000428975948 305021391 /nfs/dbraw/zinc/02/13/91/305021391.db2.gz KNQHBXVEGJAYRA-QWRGUYRKSA-N 1 0 337.376 1.730 20 5 EDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000429770885 305036691 /nfs/dbraw/zinc/03/66/91/305036691.db2.gz GFJGGWDJTBSSOJ-KBPBESRZSA-N 1 0 334.376 1.062 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000430208315 305047574 /nfs/dbraw/zinc/04/75/74/305047574.db2.gz ULMTZWLBINGPIP-ZDUSSCGKSA-N 1 0 337.420 1.880 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000440436935 305206804 /nfs/dbraw/zinc/20/68/04/305206804.db2.gz JWMYFWKRYJDBBB-GFCCVEGCSA-N 1 0 325.390 1.418 20 5 EDBDRO C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000442327784 305228818 /nfs/dbraw/zinc/22/88/18/305228818.db2.gz BOGFAVROIYWDKF-LLVKDONJSA-N 1 0 332.360 1.300 20 5 EDBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2[N+](=O)[O-])C1 ZINC000449563725 305313755 /nfs/dbraw/zinc/31/37/55/305313755.db2.gz YBYVIPYDOLNDPF-CVGURMSBSA-N 1 0 344.415 1.779 20 5 EDBDRO CC(C)Oc1cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000521994524 305796954 /nfs/dbraw/zinc/79/69/54/305796954.db2.gz BWTGNHUNAFABTO-AWEZNQCLSA-N 1 0 335.364 1.124 20 5 EDBDRO O=C(CC[NH2+]CCC(=O)N1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000554525975 306194604 /nfs/dbraw/zinc/19/46/04/306194604.db2.gz ZPDSJZNZVJWRIS-UHFFFAOYSA-N 1 0 348.403 1.916 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449201116 447369350 /nfs/dbraw/zinc/36/93/50/447369350.db2.gz HZIZKGIDJVNNAF-ZIAGYGMSSA-N 1 0 333.388 1.822 20 5 EDBDRO CC(=O)c1ccc(N2CCN(C(=O)C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000046406898 441106172 /nfs/dbraw/zinc/10/61/72/441106172.db2.gz OQSGSLCNPSVEBW-UHFFFAOYSA-N 1 0 334.376 1.008 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000048184190 441269672 /nfs/dbraw/zinc/26/96/72/441269672.db2.gz BAEPUXNNSYKGBV-CQSZACIVSA-N 1 0 331.376 1.080 20 5 EDBDRO CCOc1cc(C(=O)NC[C@H](C)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000025149085 441332307 /nfs/dbraw/zinc/33/23/07/441332307.db2.gz GPFPIHMSWKGDBY-JTQLQIEISA-N 1 0 325.365 1.682 20 5 EDBDRO COCC[N@@H+]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000048427862 441304831 /nfs/dbraw/zinc/30/48/31/441304831.db2.gz LXARGCMNSSZZKC-UHFFFAOYSA-N 1 0 337.376 1.154 20 5 EDBDRO CN1CC[NH+](CCCCNC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000050111290 441373077 /nfs/dbraw/zinc/37/30/77/441373077.db2.gz KIDUZUPVOOHLBS-UHFFFAOYSA-N 1 0 349.435 1.422 20 5 EDBDRO CC[N@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000087356876 441488378 /nfs/dbraw/zinc/48/83/78/441488378.db2.gz WDBUMERRSPQCPO-UHFFFAOYSA-N 1 0 344.209 1.968 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCO)C(C)C ZINC000085860537 441453290 /nfs/dbraw/zinc/45/32/90/441453290.db2.gz AHZLJNASJHYIQR-UHFFFAOYSA-N 1 0 325.365 1.635 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000111573313 441537816 /nfs/dbraw/zinc/53/78/16/441537816.db2.gz MKVFXXWPEJZYJQ-HNNXBMFYSA-N 1 0 344.371 1.506 20 5 EDBDRO C[NH+](C)CCN1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000075669327 441547346 /nfs/dbraw/zinc/54/73/46/441547346.db2.gz ZOTUPTXABJFCJS-UHFFFAOYSA-N 1 0 338.437 1.742 20 5 EDBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000054173983 441562853 /nfs/dbraw/zinc/56/28/53/441562853.db2.gz VGBFNKYVZGGGQJ-TXEJJXNPSA-N 1 0 339.367 1.963 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067134629 441608938 /nfs/dbraw/zinc/60/89/38/441608938.db2.gz GQPUTENXCTXNHZ-CQSZACIVSA-N 1 0 344.375 1.390 20 5 EDBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067173371 441614593 /nfs/dbraw/zinc/61/45/93/441614593.db2.gz DIHUWZWLQUKYRT-LLVKDONJSA-N 1 0 337.376 1.826 20 5 EDBDRO O=C(CC[N@@H+]1CCCC2(C1)OCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000090561772 441634784 /nfs/dbraw/zinc/63/47/84/441634784.db2.gz GJPJSCASNJVCGH-UHFFFAOYSA-N 1 0 335.360 1.762 20 5 EDBDRO C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000041644046 441666032 /nfs/dbraw/zinc/66/60/32/441666032.db2.gz AFDMQWFQHQFSKM-STQMWFEESA-N 1 0 348.403 1.912 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000067548206 441651750 /nfs/dbraw/zinc/65/17/50/441651750.db2.gz QZPATWFZQWNFGI-UHFFFAOYSA-N 1 0 325.365 1.302 20 5 EDBDRO COc1ccc(CC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000067906917 441694787 /nfs/dbraw/zinc/69/47/87/441694787.db2.gz ONLXINVQYVCIOL-CYBMUJFWSA-N 1 0 335.404 1.994 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000091457551 441703065 /nfs/dbraw/zinc/70/30/65/441703065.db2.gz GSBFUAZWSWMVIM-NSHDSACASA-N 1 0 342.421 1.386 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000067703060 441669009 /nfs/dbraw/zinc/66/90/09/441669009.db2.gz HWSWANGHKBLIFF-NSHDSACASA-N 1 0 349.387 1.969 20 5 EDBDRO CC[NH+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000068127864 441738659 /nfs/dbraw/zinc/73/86/59/441738659.db2.gz BDMKDJCDKSVNKI-UHFFFAOYSA-N 1 0 336.392 1.570 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)CCO1 ZINC000068095703 441728405 /nfs/dbraw/zinc/72/84/05/441728405.db2.gz SKVHAXFETVIEHI-GFCCVEGCSA-N 1 0 348.403 1.502 20 5 EDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000137574828 441773752 /nfs/dbraw/zinc/77/37/52/441773752.db2.gz ZJNBFVRHBSLYHW-GFCCVEGCSA-N 1 0 329.360 1.462 20 5 EDBDRO C[C@@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000117035545 441863186 /nfs/dbraw/zinc/86/31/86/441863186.db2.gz QLOBGDGLWGRHTL-DOMZBBRYSA-N 1 0 336.392 1.628 20 5 EDBDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000160800082 441922505 /nfs/dbraw/zinc/92/25/05/441922505.db2.gz SBKNBERNXRXLFW-KOLCDFICSA-N 1 0 327.768 1.836 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000117923549 441881979 /nfs/dbraw/zinc/88/19/79/441881979.db2.gz FCIMKHZKFTYQDI-SNVBAGLBSA-N 1 0 331.369 1.306 20 5 EDBDRO C[NH+]1CCC(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119511285 441939171 /nfs/dbraw/zinc/93/91/71/441939171.db2.gz IZQLIOGIMBMYFK-UHFFFAOYSA-N 1 0 333.797 1.621 20 5 EDBDRO CC[C@@H](C)[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000161957623 442048349 /nfs/dbraw/zinc/04/83/49/442048349.db2.gz SVCFUXVVDBJDJI-NEPJUHHUSA-N 1 0 329.422 1.897 20 5 EDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000162062484 442061464 /nfs/dbraw/zinc/06/14/64/442061464.db2.gz VBCFCMGQMSNQQN-AWEZNQCLSA-N 1 0 346.391 1.621 20 5 EDBDRO C[C@@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCOC1 ZINC000162683645 442114942 /nfs/dbraw/zinc/11/49/42/442114942.db2.gz GQGSZCPIIRDNLC-VXGBXAGGSA-N 1 0 335.360 1.907 20 5 EDBDRO COC(=O)C(C)(C)C[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000151797443 442121814 /nfs/dbraw/zinc/12/18/14/442121814.db2.gz OMQHBPSMBQFWCQ-CYBMUJFWSA-N 1 0 335.360 1.489 20 5 EDBDRO COc1ccc(C[NH2+]CC2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000120887891 442146937 /nfs/dbraw/zinc/14/69/37/442146937.db2.gz AQPNYKQMVANSQX-UHFFFAOYSA-N 1 0 328.390 1.518 20 5 EDBDRO Cc1nn(CCC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000120941012 442154948 /nfs/dbraw/zinc/15/49/48/442154948.db2.gz RUCVRAFSODLENL-FZMZJTMJSA-N 1 0 337.424 1.597 20 5 EDBDRO COCC[NH+]1CCC(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000127633690 442217559 /nfs/dbraw/zinc/21/75/59/442217559.db2.gz ABUDLDDIVLSLBG-UHFFFAOYSA-N 1 0 335.404 1.754 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000128110192 442245637 /nfs/dbraw/zinc/24/56/37/442245637.db2.gz BCCIDTKMLJGUFZ-CYBMUJFWSA-N 1 0 343.387 1.995 20 5 EDBDRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153260113 442271946 /nfs/dbraw/zinc/27/19/46/442271946.db2.gz GOOANNGVFDBYMA-UHFFFAOYSA-N 1 0 341.433 1.698 20 5 EDBDRO C[N@H+](CCCO)C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153781814 442302463 /nfs/dbraw/zinc/30/24/63/442302463.db2.gz WABXBQBGBJIGCI-UHFFFAOYSA-N 1 0 328.800 1.926 20 5 EDBDRO C[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)N1CC[NH+](C)CC1 ZINC000171216411 442329625 /nfs/dbraw/zinc/32/96/25/442329625.db2.gz DBCCZBROBFZROL-GFCCVEGCSA-N 1 0 347.419 1.527 20 5 EDBDRO C[C@@H]1CN(C[C@H](O)COc2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000155280933 442385366 /nfs/dbraw/zinc/38/53/66/442385366.db2.gz OBZWNUTXJITELE-WDMOLILDSA-N 1 0 328.340 1.583 20 5 EDBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000171870415 442386602 /nfs/dbraw/zinc/38/66/02/442386602.db2.gz KIMKTHMHHSCION-CYBMUJFWSA-N 1 0 337.424 1.808 20 5 EDBDRO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000172017328 442400047 /nfs/dbraw/zinc/40/00/47/442400047.db2.gz ZQZXJDVTFVGKGC-LBPRGKRZSA-N 1 0 329.422 1.912 20 5 EDBDRO CCS(=O)(=O)NCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130856823 442358555 /nfs/dbraw/zinc/35/85/55/442358555.db2.gz SQNFVUAIOLDPJE-UHFFFAOYSA-N 1 0 327.406 1.499 20 5 EDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178078912 442406485 /nfs/dbraw/zinc/40/64/85/442406485.db2.gz DJUDXECVWSBGOG-LLVKDONJSA-N 1 0 325.390 1.451 20 5 EDBDRO COc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000178106971 442408128 /nfs/dbraw/zinc/40/81/28/442408128.db2.gz CGLJNMXYWMYTNR-ZDUSSCGKSA-N 1 0 349.387 1.398 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000155626039 442414173 /nfs/dbraw/zinc/41/41/73/442414173.db2.gz XRHCIDBIFLISDA-QGZVFWFLSA-N 1 0 326.356 1.969 20 5 EDBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000179718257 442494518 /nfs/dbraw/zinc/49/45/18/442494518.db2.gz MQHZLURBPXYUMQ-ZDUSSCGKSA-N 1 0 331.376 1.428 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000179213644 442598498 /nfs/dbraw/zinc/59/84/98/442598498.db2.gz GUBNADLTFFSFKP-GXTWGEPZSA-N 1 0 343.387 1.980 20 5 EDBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC(C(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000180453281 442604780 /nfs/dbraw/zinc/60/47/80/442604780.db2.gz IGBGXMAIGYGBJE-NEPJUHHUSA-N 1 0 348.403 1.358 20 5 EDBDRO CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000179075893 442566309 /nfs/dbraw/zinc/56/63/09/442566309.db2.gz MRDLLHAZYDUPBW-CQSZACIVSA-N 1 0 335.407 1.975 20 5 EDBDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000173264888 442635126 /nfs/dbraw/zinc/63/51/26/442635126.db2.gz ZNGUSMPBSWUJEF-RYUDHWBXSA-N 1 0 327.406 1.698 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000173223577 442627729 /nfs/dbraw/zinc/62/77/29/442627729.db2.gz IGXOPZVQZIGXMY-CQSZACIVSA-N 1 0 344.371 1.314 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000187409278 442674960 /nfs/dbraw/zinc/67/49/60/442674960.db2.gz OPDWQFCXQLZWSQ-XHDPSFHLSA-N 1 0 348.403 1.818 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[NH2+]CC2)c1 ZINC000193232658 442724666 /nfs/dbraw/zinc/72/46/66/442724666.db2.gz MCIQRTIOJHOCIS-UHFFFAOYSA-N 1 0 333.797 1.541 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000193323999 442733246 /nfs/dbraw/zinc/73/32/46/442733246.db2.gz ILSMZPAQKJIHQA-TXEJJXNPSA-N 1 0 325.390 1.052 20 5 EDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000182232757 442747782 /nfs/dbraw/zinc/74/77/82/442747782.db2.gz GNLYTCTZEKAHLM-GFCCVEGCSA-N 1 0 335.360 1.880 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000193871783 442802119 /nfs/dbraw/zinc/80/21/19/442802119.db2.gz WEOXCDZAWPFJJS-SNVBAGLBSA-N 1 0 343.380 1.497 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000193667561 442765609 /nfs/dbraw/zinc/76/56/09/442765609.db2.gz GOZAOYZLQJLZBM-LBPRGKRZSA-N 1 0 348.403 1.624 20 5 EDBDRO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000193763730 442782700 /nfs/dbraw/zinc/78/27/00/442782700.db2.gz NQHTZBVGUVIPNH-HIFRSBDPSA-N 1 0 342.355 1.871 20 5 EDBDRO CCCc1n[nH]c(C(=O)NC[C@@H](CC[NH+](C)C)OCC)c1[N+](=O)[O-] ZINC000268009008 442815845 /nfs/dbraw/zinc/81/58/45/442815845.db2.gz ULKLIKJCKWIHRT-LLVKDONJSA-N 1 0 341.412 1.357 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[NH+]1CCCCC1 ZINC000193949629 442817411 /nfs/dbraw/zinc/81/74/11/442817411.db2.gz MXPNUBWLSNJYFR-UHFFFAOYSA-N 1 0 336.392 1.889 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268158777 442876329 /nfs/dbraw/zinc/87/63/29/442876329.db2.gz IVDFTSCRIYJCQV-RISCZKNCSA-N 1 0 346.387 1.441 20 5 EDBDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000182322743 318504011 /nfs/dbraw/zinc/50/40/11/318504011.db2.gz QNWNCIGIKWWANN-CABCVRRESA-N 1 0 342.417 1.916 20 5 EDBDRO C[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000194907666 442966839 /nfs/dbraw/zinc/96/68/39/442966839.db2.gz KQNSXSKPTFKFQI-ZCFIWIBFSA-N 1 0 349.128 1.276 20 5 EDBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc([N+](=O)[O-])c1OC ZINC000265910918 442966925 /nfs/dbraw/zinc/96/69/25/442966925.db2.gz TWDREHHRVAAUEW-QWHCGFSZSA-N 1 0 349.387 1.969 20 5 EDBDRO COc1cc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc([N+](=O)[O-])c1OC ZINC000265932732 442974442 /nfs/dbraw/zinc/97/44/42/442974442.db2.gz GLWUBAYFMASXBR-SNVBAGLBSA-N 1 0 337.376 1.825 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000189810705 443015630 /nfs/dbraw/zinc/01/56/30/443015630.db2.gz AVJRXMVHCQFQAN-UHFFFAOYSA-N 1 0 341.433 1.976 20 5 EDBDRO CC[NH+]1CCC(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000266098098 443016898 /nfs/dbraw/zinc/01/68/98/443016898.db2.gz SDZXAMAEMPNMIR-UHFFFAOYSA-N 1 0 337.376 1.826 20 5 EDBDRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000298084529 318786152 /nfs/dbraw/zinc/78/61/52/318786152.db2.gz KEXRDPMMALNFEX-GFCCVEGCSA-N 1 0 348.403 1.690 20 5 EDBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000190854666 443196978 /nfs/dbraw/zinc/19/69/78/443196978.db2.gz BQOATRVBVYUNQU-UHFFFAOYSA-N 1 0 329.422 1.866 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000262418627 443193534 /nfs/dbraw/zinc/19/35/34/443193534.db2.gz DUXKWXKRDUHDEJ-MFKMUULPSA-N 1 0 327.406 1.651 20 5 EDBDRO Cc1ccccc1N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000266505689 443149702 /nfs/dbraw/zinc/14/97/02/443149702.db2.gz XOMACRBSHFLWLC-INIZCTEOSA-N 1 0 345.403 1.283 20 5 EDBDRO CCOc1cc(C(=O)NC[C@H](C)C[NH2+]C)c([N+](=O)[O-])cc1OC ZINC000237036876 443156966 /nfs/dbraw/zinc/15/69/66/443156966.db2.gz KPJKAGWSFPTAHI-SNVBAGLBSA-N 1 0 325.365 1.587 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CN(C)CCO3)n2)c1 ZINC000351219692 319097235 /nfs/dbraw/zinc/09/72/35/319097235.db2.gz KZTJQVAAMSNRPC-CYBMUJFWSA-N 1 0 334.332 1.580 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397423818 319134715 /nfs/dbraw/zinc/13/47/15/319134715.db2.gz WELPEGYYGZQUIO-AGIUHOORSA-N 1 0 341.433 1.897 20 5 EDBDRO Cc1ccc(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000414658634 319337494 /nfs/dbraw/zinc/33/74/94/319337494.db2.gz LPHTVNPIURAGSR-CQSZACIVSA-N 1 0 333.392 1.415 20 5 EDBDRO COc1cc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000269276812 443263082 /nfs/dbraw/zinc/26/30/82/443263082.db2.gz OWTSNDFLTJRKBO-QWRGUYRKSA-N 1 0 337.376 1.811 20 5 EDBDRO Cc1sc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000264494069 443308604 /nfs/dbraw/zinc/30/86/04/443308604.db2.gz JNOPUFJRFAGCMI-SNVBAGLBSA-N 1 0 340.405 1.034 20 5 EDBDRO CC[N@@H+]1CCCC[C@@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000272441268 443318302 /nfs/dbraw/zinc/31/83/02/443318302.db2.gz DUSDNKOWUSASTC-LLVKDONJSA-N 1 0 342.421 1.529 20 5 EDBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCNC1=O ZINC000282405775 443329322 /nfs/dbraw/zinc/32/93/22/443329322.db2.gz PWOFLNHVKOAURY-CYBMUJFWSA-N 1 0 338.339 1.273 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272497051 443340381 /nfs/dbraw/zinc/34/03/81/443340381.db2.gz WOELTOYSOYIEMT-UKRRQHHQSA-N 1 0 339.417 1.451 20 5 EDBDRO O=C(C[NH2+]C1(CO)CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000264602449 443342936 /nfs/dbraw/zinc/34/29/36/443342936.db2.gz FLAYENYAWMDSQV-UHFFFAOYSA-N 1 0 343.767 1.318 20 5 EDBDRO C[N@H+](CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000272590503 443375228 /nfs/dbraw/zinc/37/52/28/443375228.db2.gz ZSUDQWGBNKTQIK-UHFFFAOYSA-N 1 0 327.406 1.151 20 5 EDBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269664076 443385898 /nfs/dbraw/zinc/38/58/98/443385898.db2.gz XIIPNQZEVAVJJO-ZDUSSCGKSA-N 1 0 336.392 1.137 20 5 EDBDRO C[NH+](C)[C@@]1(CNC(=O)COc2ccccc2[N+](=O)[O-])CCSC1 ZINC000267129252 443351869 /nfs/dbraw/zinc/35/18/69/443351869.db2.gz RFZKJJZVWPWLHB-OAHLLOKOSA-N 1 0 339.417 1.527 20 5 EDBDRO Cc1c(CC(=O)NCC2(O)CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000269603896 443361950 /nfs/dbraw/zinc/36/19/50/443361950.db2.gz JDZGVTOQKMJASH-UHFFFAOYSA-N 1 0 349.431 1.797 20 5 EDBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000264671335 443368101 /nfs/dbraw/zinc/36/81/01/443368101.db2.gz BBNVOJUYYZWNCI-GFCCVEGCSA-N 1 0 331.376 1.052 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000420446332 319620611 /nfs/dbraw/zinc/62/06/11/319620611.db2.gz BCWOJDDXAQSJSA-IUCAKERBSA-N 1 0 347.368 1.148 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272687975 443409446 /nfs/dbraw/zinc/40/94/46/443409446.db2.gz WOIUHMAGWGJRHV-SWLSCSKDSA-N 1 0 349.387 1.535 20 5 EDBDRO COC[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCO1 ZINC000279012419 443490267 /nfs/dbraw/zinc/49/02/67/443490267.db2.gz FNHBNMYEAXBKPJ-GOEBONIOSA-N 1 0 349.387 1.268 20 5 EDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267415261 443450079 /nfs/dbraw/zinc/45/00/79/443450079.db2.gz VVLUHMLAHRHYHA-WUTVXBCWSA-N 1 0 345.399 1.789 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000265108679 443534965 /nfs/dbraw/zinc/53/49/65/443534965.db2.gz WFSPJOWMLWWNBL-UHFFFAOYSA-N 1 0 348.403 1.983 20 5 EDBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000272257256 443570735 /nfs/dbraw/zinc/57/07/35/443570735.db2.gz UMKGQSUQQKMPRE-GWCFXTLKSA-N 1 0 345.396 1.613 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC2=CC[N@H+](C)CC2)c1C ZINC000272275160 443576818 /nfs/dbraw/zinc/57/68/18/443576818.db2.gz SMXLLOHHKNYAOH-UHFFFAOYSA-N 1 0 339.417 1.752 20 5 EDBDRO C[N@H+](CCN1CCOC(C)(C)C1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000279701870 443621876 /nfs/dbraw/zinc/62/18/76/443621876.db2.gz JBLMHRRTEPLTMN-INIZCTEOSA-N 1 0 337.420 1.671 20 5 EDBDRO Cc1n[nH]c(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000272431131 443623116 /nfs/dbraw/zinc/62/31/16/443623116.db2.gz PANDOMIKQWOSQW-UHFFFAOYSA-N 1 0 341.375 1.754 20 5 EDBDRO CC(C)(C(=O)Nc1ccc2c(c1)C[NH2+]CC2)n1cc([N+](=O)[O-])cn1 ZINC000429350669 319926960 /nfs/dbraw/zinc/92/69/60/319926960.db2.gz QNRGFFXSADBBCW-UHFFFAOYSA-N 1 0 329.360 1.811 20 5 EDBDRO COc1cc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000440355636 320073756 /nfs/dbraw/zinc/07/37/56/320073756.db2.gz MTXKPYJPNDISHI-WDEREUQCSA-N 1 0 343.405 1.270 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000440757457 320079860 /nfs/dbraw/zinc/07/98/60/320079860.db2.gz TUEHCKJKUQHLMS-NWDGAFQWSA-N 1 0 327.406 1.569 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000440806009 320080716 /nfs/dbraw/zinc/08/07/16/320080716.db2.gz ZAUWCNDLUPTIOQ-GFCCVEGCSA-N 1 0 327.406 1.653 20 5 EDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448974163 320168475 /nfs/dbraw/zinc/16/84/75/320168475.db2.gz AMOXXCRSFROXQO-ZDUSSCGKSA-N 1 0 329.360 1.809 20 5 EDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000449216642 320178883 /nfs/dbraw/zinc/17/88/83/320178883.db2.gz UJIZHWSNGMKIIV-CHWSQXEVSA-N 1 0 341.433 1.397 20 5 EDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](CCO)C[C@@H]1C ZINC000452113212 320242041 /nfs/dbraw/zinc/24/20/41/320242041.db2.gz IAISBGYUIWAOEO-AWEZNQCLSA-N 1 0 337.420 1.880 20 5 EDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](CCO)C[C@H]1C ZINC000452113214 320242217 /nfs/dbraw/zinc/24/22/17/320242217.db2.gz IAISBGYUIWAOEO-CQSZACIVSA-N 1 0 337.420 1.880 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000453398018 320263565 /nfs/dbraw/zinc/26/35/65/320263565.db2.gz KGAWBDZVYXZRDR-BDJLRTHQSA-N 1 0 334.376 1.570 20 5 EDBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491562586 320372225 /nfs/dbraw/zinc/37/22/25/320372225.db2.gz ODKDCTOYKWWMPA-AJHXJQRKSA-N 1 0 346.387 1.064 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000298316938 443745202 /nfs/dbraw/zinc/74/52/02/443745202.db2.gz YYUUQXMRWOEWLY-LBPRGKRZSA-N 1 0 334.376 1.252 20 5 EDBDRO C[C@@H](CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[C@@H]1CCC[NH2+]C1 ZINC000517148127 320446755 /nfs/dbraw/zinc/44/67/55/320446755.db2.gz CQBFDSLLNCEPAL-QWHCGFSZSA-N 1 0 332.404 1.900 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000298425803 443767107 /nfs/dbraw/zinc/76/71/07/443767107.db2.gz PVULFMLAJYNUCR-LBPRGKRZSA-N 1 0 336.348 1.978 20 5 EDBDRO C[NH+](C)C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000288100445 443771151 /nfs/dbraw/zinc/77/11/51/443771151.db2.gz HZVDBVHCLKBKIH-ZDUSSCGKSA-N 1 0 348.334 1.867 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](O)C23CCCC3)c1 ZINC000292675720 443814737 /nfs/dbraw/zinc/81/47/37/443814737.db2.gz JKIKOVCREPCEID-GDBMZVCRSA-N 1 0 336.388 1.714 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)[C@H]2C1 ZINC000285076477 443846225 /nfs/dbraw/zinc/84/62/25/443846225.db2.gz PODUINYFUZSGHS-YGRLFVJLSA-N 1 0 329.360 1.774 20 5 EDBDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000292562147 443800842 /nfs/dbraw/zinc/80/08/42/443800842.db2.gz ZHZAVNQWRNFYDA-RHSMWYFYSA-N 1 0 337.420 1.751 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000285114992 443861386 /nfs/dbraw/zinc/86/13/86/443861386.db2.gz RDWZILLGDRBVMS-WCQYABFASA-N 1 0 334.376 1.615 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000537941065 320740079 /nfs/dbraw/zinc/74/00/79/320740079.db2.gz GYJJIQOYYSHRTB-CHWSQXEVSA-N 1 0 341.433 1.835 20 5 EDBDRO CCS(=O)(=O)NCCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285450800 443989470 /nfs/dbraw/zinc/98/94/70/443989470.db2.gz YMKPGXCCRBYXNE-UHFFFAOYSA-N 1 0 329.422 1.399 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000299234282 443990911 /nfs/dbraw/zinc/99/09/11/443990911.db2.gz JPGDHHMDCAZVFB-DGCLKSJQSA-N 1 0 346.387 1.583 20 5 EDBDRO C[N@@H+]1CCN(CCNc2ccc([N+](=O)[O-])c3nonc32)CC1(C)C ZINC000281613224 443958689 /nfs/dbraw/zinc/95/86/89/443958689.db2.gz JHJWFLOQCRBCEU-UHFFFAOYSA-N 1 0 334.380 1.569 20 5 EDBDRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000285587343 444038905 /nfs/dbraw/zinc/03/89/05/444038905.db2.gz UIYYMAPEWMNTIE-HIFRSBDPSA-N 1 0 341.433 1.792 20 5 EDBDRO C[NH+](C)CCOc1ccc(CCNC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000549182766 320903626 /nfs/dbraw/zinc/90/36/26/320903626.db2.gz AGGMJLMZDOSGGP-UHFFFAOYSA-N 1 0 347.375 1.231 20 5 EDBDRO CC[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000299289739 444007259 /nfs/dbraw/zinc/00/72/59/444007259.db2.gz IYFVNMZFMNJUQV-UHFFFAOYSA-N 1 0 325.340 1.713 20 5 EDBDRO C[N@@H+]1CCN(CCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000281793813 444007810 /nfs/dbraw/zinc/00/78/10/444007810.db2.gz OFCATVGDEKUULC-CMDGGOBGSA-N 1 0 346.431 1.750 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)cc1[N+](=O)[O-] ZINC000564585277 321136558 /nfs/dbraw/zinc/13/65/58/321136558.db2.gz ILKNOQGILZHBOY-UHFFFAOYSA-N 1 0 339.417 1.795 20 5 EDBDRO CC1(C)[C@H]([NH2+]CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000565166027 321171858 /nfs/dbraw/zinc/17/18/58/321171858.db2.gz XZPUAABMDMSCPO-KGLIPLIRSA-N 1 0 335.360 1.642 20 5 EDBDRO COc1ccc(C[C@@H](C)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000566113651 321216784 /nfs/dbraw/zinc/21/67/84/321216784.db2.gz UFIMVRQANRFEQL-CZUORRHYSA-N 1 0 348.403 1.629 20 5 EDBDRO CC(C)(O)C(C)(C)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566122120 321218285 /nfs/dbraw/zinc/21/82/85/321218285.db2.gz XZTSAHRSBDIARL-GFCCVEGCSA-N 1 0 326.393 1.721 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000571236882 321379084 /nfs/dbraw/zinc/37/90/84/321379084.db2.gz NCZNTTSOUMLZQN-UHFFFAOYSA-N 1 0 347.419 1.351 20 5 EDBDRO C[NH+]1CCC(CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000299650817 444106494 /nfs/dbraw/zinc/10/64/94/444106494.db2.gz JOOOKLVKUVDBTK-UHFFFAOYSA-N 1 0 342.421 1.386 20 5 EDBDRO C[C@@H]1C[N@H+](CCCNc2ncc([N+](=O)[O-])cc2C(N)=O)CCCO1 ZINC000278152968 444108478 /nfs/dbraw/zinc/10/84/78/444108478.db2.gz OAXPTMVRDYIGRH-LLVKDONJSA-N 1 0 337.380 1.002 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)c(C)cc1[N+](=O)[O-] ZINC000572016827 321411434 /nfs/dbraw/zinc/41/14/34/321411434.db2.gz MQUQYCYBBNMTLR-ZDUSSCGKSA-N 1 0 329.422 1.863 20 5 EDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000285906656 444148560 /nfs/dbraw/zinc/14/85/60/444148560.db2.gz DEQOYHUZKVICBE-ZETOZRRWSA-N 1 0 344.375 1.292 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])c2nonc21 ZINC000278270777 444125255 /nfs/dbraw/zinc/12/52/55/444125255.db2.gz ARNVEJVTAFQKOL-LLVKDONJSA-N 1 0 347.375 1.821 20 5 EDBDRO COC[C@@]1(C(=O)OC)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000296273517 444216548 /nfs/dbraw/zinc/21/65/48/444216548.db2.gz MKMFXKVDQLHXLR-MRXNPFEDSA-N 1 0 338.360 1.485 20 5 EDBDRO C[C@H](O)C[N@H+](CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000289939428 444221709 /nfs/dbraw/zinc/22/17/09/444221709.db2.gz VIAVQOSPVDPLGK-LBPRGKRZSA-N 1 0 335.360 1.467 20 5 EDBDRO O=C(NCC1CC[NH2+]CC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000296845543 444258366 /nfs/dbraw/zinc/25/83/66/444258366.db2.gz CGCVJOHBBWWJJQ-UHFFFAOYSA-N 1 0 329.360 1.510 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[N@@H+](C)CCN(C)C ZINC000296919255 444262884 /nfs/dbraw/zinc/26/28/84/444262884.db2.gz PMFSQIWQBIBRQN-UHFFFAOYSA-N 1 0 337.424 1.908 20 5 EDBDRO CC[NH+]1CCN(CCCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000296521248 444236327 /nfs/dbraw/zinc/23/63/27/444236327.db2.gz MSNXDTDFODOGIJ-UHFFFAOYSA-N 1 0 332.408 1.911 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000577395609 321649274 /nfs/dbraw/zinc/64/92/74/321649274.db2.gz RXWVBHPKWZUHPS-LBPRGKRZSA-N 1 0 334.376 1.126 20 5 EDBDRO Cc1cnc([C@H](C)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000577503358 321658685 /nfs/dbraw/zinc/65/86/85/321658685.db2.gz ZHLPCLOFYMYEAH-SKDRFNHKSA-N 1 0 325.394 1.310 20 5 EDBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290410561 444277320 /nfs/dbraw/zinc/27/73/20/444277320.db2.gz MMMVSHYHFJYBCD-ZIAGYGMSSA-N 1 0 328.372 1.617 20 5 EDBDRO NC(=O)c1ccc(NCCC[NH2+]Cc2cccnc2)c([N+](=O)[O-])c1 ZINC000325034141 444361694 /nfs/dbraw/zinc/36/16/94/444361694.db2.gz NEKVQUVZJWLAIL-UHFFFAOYSA-N 1 0 329.360 1.681 20 5 EDBDRO O=C1COc2cc([N+](=O)[O-])c(NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)cc2N1 ZINC000327488239 444383257 /nfs/dbraw/zinc/38/32/57/444383257.db2.gz XMKJXONLQJBKMG-QWRGUYRKSA-N 1 0 348.359 1.201 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000331236400 444453995 /nfs/dbraw/zinc/45/39/95/444453995.db2.gz KPXWOCCJOPIVNW-LLVKDONJSA-N 1 0 343.405 1.318 20 5 EDBDRO CN(C)c1nccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000579343514 321921496 /nfs/dbraw/zinc/92/14/96/321921496.db2.gz FBAWLYBXTTYJKB-UHFFFAOYSA-N 1 0 344.375 1.569 20 5 EDBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000580217583 322025806 /nfs/dbraw/zinc/02/58/06/322025806.db2.gz QBNRIHZWXILSEW-WFASDCNBSA-N 1 0 343.387 1.958 20 5 EDBDRO CC(C)[C@@H](O)C(C)(C)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000580431689 322050417 /nfs/dbraw/zinc/05/04/17/322050417.db2.gz XIHCRFJAONVELT-XJKSGUPXSA-N 1 0 340.420 1.967 20 5 EDBDRO Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000580555157 322066568 /nfs/dbraw/zinc/06/65/68/322066568.db2.gz GZGKKGDTSDRLNT-TZMCWYRMSA-N 1 0 346.387 1.735 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]C2(C)C)cc1OC ZINC000581351018 322166426 /nfs/dbraw/zinc/16/64/26/322166426.db2.gz TXUKLRYKDVQFHG-CQSZACIVSA-N 1 0 337.376 1.872 20 5 EDBDRO CCS(=O)(=O)N1CC(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000581954015 322238325 /nfs/dbraw/zinc/23/83/25/322238325.db2.gz GQXAEVHOEUMMAC-CQSZACIVSA-N 1 0 339.417 1.453 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1NCc1ccncc1OCCC[NH+](C)C ZINC000341059702 444658588 /nfs/dbraw/zinc/65/85/88/444658588.db2.gz FSNYJPSOWIPLDM-UHFFFAOYSA-N 1 0 334.380 1.666 20 5 EDBDRO CCCN(Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CC(=O)N(C)C1=O ZINC000338329784 444636667 /nfs/dbraw/zinc/63/66/67/444636667.db2.gz MHLMEQQJLVLUAQ-CYBMUJFWSA-N 1 0 335.360 1.573 20 5 EDBDRO C[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000343999258 444718852 /nfs/dbraw/zinc/71/88/52/444718852.db2.gz FPUXTXHHRMUIQD-HIFRSBDPSA-N 1 0 334.420 1.833 20 5 EDBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000343961471 444695646 /nfs/dbraw/zinc/69/56/46/444695646.db2.gz BSFJUZZLOPQFKB-AWEZNQCLSA-N 1 0 348.403 1.137 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)o2)cc1 ZINC000344026461 444736692 /nfs/dbraw/zinc/73/66/92/444736692.db2.gz JWLVDOSJZIBZDO-YUTCNCBUSA-N 1 0 330.344 1.848 20 5 EDBDRO CC1(C)NC(=O)CC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000338595024 444763502 /nfs/dbraw/zinc/76/35/02/444763502.db2.gz CBPYIJYNRSHVDR-CQSZACIVSA-N 1 0 346.387 1.131 20 5 EDBDRO [NH3+]C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000342597883 444766227 /nfs/dbraw/zinc/76/62/27/444766227.db2.gz SXQRLMFCSOQVGZ-UHFFFAOYSA-N 1 0 342.193 1.897 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000338598663 444767552 /nfs/dbraw/zinc/76/75/52/444767552.db2.gz RAZYIVQWNHIDOI-CYBMUJFWSA-N 1 0 334.376 1.489 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000338722445 444821096 /nfs/dbraw/zinc/82/10/96/444821096.db2.gz BWOUKIWZKCTTAR-JKSUJKDBSA-N 1 0 346.387 1.868 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000611039362 450417035 /nfs/dbraw/zinc/41/70/35/450417035.db2.gz QUKJLKCEIANVNQ-CQSZACIVSA-N 1 0 336.392 1.260 20 5 EDBDRO COC[C@H]1C[C@@H](OC)C[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000344366262 444922152 /nfs/dbraw/zinc/92/21/52/444922152.db2.gz LONDCXMPYIMVRO-TZMCWYRMSA-N 1 0 340.376 1.718 20 5 EDBDRO COc1cc(OCC(=O)NCCNc2cc[nH+]cc2)ccc1[N+](=O)[O-] ZINC000341683769 444946084 /nfs/dbraw/zinc/94/60/84/444946084.db2.gz MZAINBOXMIJPKA-UHFFFAOYSA-N 1 0 346.343 1.027 20 5 EDBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000344441261 444973605 /nfs/dbraw/zinc/97/36/05/444973605.db2.gz LDNPIVFICGIREG-UHFFFAOYSA-N 1 0 335.408 1.653 20 5 EDBDRO CO[C@@H]1C[C@@H](CN(C)C(=O)COc2ccccc2[N+](=O)[O-])[N@H+](C)C1 ZINC000344501986 445015910 /nfs/dbraw/zinc/01/59/10/445015910.db2.gz BIUUHCVIXNFABL-QWHCGFSZSA-N 1 0 337.376 1.151 20 5 EDBDRO NC(=O)C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000339134924 445050307 /nfs/dbraw/zinc/05/03/07/445050307.db2.gz AHOBMVYUXRUOLA-OCCSQVGLSA-N 1 0 337.376 1.064 20 5 EDBDRO CN(C(=O)C[N@@H+]1CCCC[C@@H]1CC(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000339140734 445053488 /nfs/dbraw/zinc/05/34/88/445053488.db2.gz MNXICSGTMQKMFL-CQSZACIVSA-N 1 0 334.376 1.288 20 5 EDBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000339768492 445168633 /nfs/dbraw/zinc/16/86/33/445168633.db2.gz YBOIZJDZFMPTNP-IRXDYDNUSA-N 1 0 336.388 1.883 20 5 EDBDRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000342078439 445159681 /nfs/dbraw/zinc/15/96/81/445159681.db2.gz GOUXVOWSOGPIKP-CJNGLKHVSA-N 1 0 346.387 1.801 20 5 EDBDRO C[C@@H]1[C@@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCC[N@@H+]1C ZINC000343467115 445228081 /nfs/dbraw/zinc/22/80/81/445228081.db2.gz ZGVFJIFPEFCYKP-WBMJQRKESA-N 1 0 343.387 1.993 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCSC[C@H]1CCO ZINC000343565250 445245091 /nfs/dbraw/zinc/24/50/91/445245091.db2.gz HCOIFFSJXZQCIK-CHWSQXEVSA-N 1 0 342.417 1.134 20 5 EDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1C[C@H](F)CN1c1ccncn1 ZINC000348182809 445307878 /nfs/dbraw/zinc/30/78/78/445307878.db2.gz RQXBKSDVEWPXOJ-QWHCGFSZSA-N 1 0 349.370 1.130 20 5 EDBDRO C[NH+]1CCN(C[C@H](O)COc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000348127457 445282901 /nfs/dbraw/zinc/28/29/01/445282901.db2.gz SABMGKMFODDBQI-LBPRGKRZSA-N 1 0 329.784 1.235 20 5 EDBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000348142377 445287721 /nfs/dbraw/zinc/28/77/21/445287721.db2.gz NFPOPKJTAOXMKA-QWHCGFSZSA-N 1 0 342.417 1.773 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000351826884 445335208 /nfs/dbraw/zinc/33/52/08/445335208.db2.gz DSUUEXFQSHPBNQ-AAEUAGOBSA-N 1 0 343.387 1.805 20 5 EDBDRO COc1cc(C[NH2+][C@@H](CC(N)=O)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000348279086 445336625 /nfs/dbraw/zinc/33/66/25/445336625.db2.gz NVZOYXRPCAXRSD-ZDUSSCGKSA-N 1 0 337.376 1.364 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000357073702 445408605 /nfs/dbraw/zinc/40/86/05/445408605.db2.gz ICPYXELSAYRDQI-RWMBFGLXSA-N 1 0 348.403 1.472 20 5 EDBDRO O=C(C[N@@H+]1CCC[C@H]2COCC[C@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000362453820 445390029 /nfs/dbraw/zinc/39/00/29/445390029.db2.gz PORBEEGAVLPHPQ-GOEBONIOSA-N 1 0 345.399 1.985 20 5 EDBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000352125639 445509390 /nfs/dbraw/zinc/50/93/90/445509390.db2.gz KAIDGHSGYSPCQS-CQSZACIVSA-N 1 0 329.784 1.681 20 5 EDBDRO Cc1cc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000362705837 445510901 /nfs/dbraw/zinc/51/09/01/445510901.db2.gz MOSBTYFJLXIZFQ-HNNXBMFYSA-N 1 0 346.431 1.802 20 5 EDBDRO C[NH+](C)[C@@]1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCSC1 ZINC000358414960 445619149 /nfs/dbraw/zinc/61/91/49/445619149.db2.gz QUQBOGFCULQOKQ-OAHLLOKOSA-N 1 0 341.408 1.830 20 5 EDBDRO CC[NH+](CC)C[C@@H](C)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000360142454 445592075 /nfs/dbraw/zinc/59/20/75/445592075.db2.gz FBEQXUYGCAKGLP-SNVBAGLBSA-N 1 0 330.410 1.384 20 5 EDBDRO CC(C)[NH+](CCN(C)C(=O)CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000356174695 445661706 /nfs/dbraw/zinc/66/17/06/445661706.db2.gz GALBYHDFNKSCKE-UHFFFAOYSA-N 1 0 325.413 1.759 20 5 EDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2CC[C@H](CO)O2)c1 ZINC000353693779 445711512 /nfs/dbraw/zinc/71/15/12/445711512.db2.gz XXDUCYHGKLLIBI-VXGBXAGGSA-N 1 0 332.303 1.826 20 5 EDBDRO COc1c(C(=O)N2CC[NH+](C3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000356302514 445725650 /nfs/dbraw/zinc/72/56/50/445725650.db2.gz QIQMVDMSHSVMBL-UHFFFAOYSA-N 1 0 349.387 1.540 20 5 EDBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356463397 445804762 /nfs/dbraw/zinc/80/47/62/445804762.db2.gz WBZRZZTXUVKJRT-UHFFFAOYSA-N 1 0 337.424 1.912 20 5 EDBDRO COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)[NH+](C)C)c1 ZINC000356476013 445811405 /nfs/dbraw/zinc/81/14/05/445811405.db2.gz JREIFSPIALTDJD-AWEZNQCLSA-N 1 0 347.375 1.370 20 5 EDBDRO C[C@@]1(c2ccc(F)cc2)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361637602 445860344 /nfs/dbraw/zinc/86/03/44/445860344.db2.gz AEYOGQSGVQHPCL-IAGOWNOFSA-N 1 0 348.378 1.955 20 5 EDBDRO Cc1cc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)ncc1[N+](=O)[O-] ZINC000364887992 445965640 /nfs/dbraw/zinc/96/56/40/445965640.db2.gz LOSGUDRPDLIDIY-DYVFJYSZSA-N 1 0 344.419 2.527 20 5 EDBDRO CNS(=O)(=O)[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000369287699 446050173 /nfs/dbraw/zinc/05/01/73/446050173.db2.gz JZXSQFUWUKBOTB-CYBMUJFWSA-N 1 0 327.406 1.417 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)c1C ZINC000583811826 326144733 /nfs/dbraw/zinc/14/47/33/326144733.db2.gz BHBSKZGFYQJAIG-GFCCVEGCSA-N 1 0 327.406 1.571 20 5 EDBDRO CO[C@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C[NH3+])C1 ZINC000359240970 446073522 /nfs/dbraw/zinc/07/35/22/446073522.db2.gz ZFGPAJRIDSOBIT-MNOVXSKESA-N 1 0 333.348 1.049 20 5 EDBDRO Cc1csc(=O)n1CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373282166 446141766 /nfs/dbraw/zinc/14/17/66/446141766.db2.gz AZKJWVLEWNPWES-UHFFFAOYSA-N 1 0 337.405 1.660 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000361946848 446096565 /nfs/dbraw/zinc/09/65/65/446096565.db2.gz YUAPOCLHVUIBKQ-OAHLLOKOSA-N 1 0 346.387 1.620 20 5 EDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351493579 446097127 /nfs/dbraw/zinc/09/71/27/446097127.db2.gz LYXWTGSVCWWJOP-JTQLQIEISA-N 1 0 340.355 1.519 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000351499570 446104705 /nfs/dbraw/zinc/10/47/05/446104705.db2.gz DQUYWSGMUMJTFW-GFCCVEGCSA-N 1 0 338.339 1.225 20 5 EDBDRO COc1ccc(NC(=O)CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000351500769 446106060 /nfs/dbraw/zinc/10/60/60/446106060.db2.gz XJFTWELAEYGRER-UHTWSYAYSA-N 1 0 334.376 1.211 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C[C@@H]21 ZINC000362024463 446160972 /nfs/dbraw/zinc/16/09/72/446160972.db2.gz QIRCCNFXTJHIIA-PWSUYJOCSA-N 1 0 343.380 1.449 20 5 EDBDRO CC[N@@H+]1CCc2c(cccc2NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000366372048 446177194 /nfs/dbraw/zinc/17/71/94/446177194.db2.gz PKNHHBHDEKBWOF-UHFFFAOYSA-N 1 0 329.360 1.808 20 5 EDBDRO Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc([N+](=O)[O-])c1 ZINC000366582620 446268380 /nfs/dbraw/zinc/26/83/80/446268380.db2.gz LNMXEEMQKIBSPY-HNNXBMFYSA-N 1 0 333.388 1.886 20 5 EDBDRO CN1CCC2(CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)C1=O ZINC000365718399 446313934 /nfs/dbraw/zinc/31/39/34/446313934.db2.gz POJGBSPRQFSZRW-UHFFFAOYSA-N 1 0 346.387 1.138 20 5 EDBDRO CO[C@]1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000359630402 446327455 /nfs/dbraw/zinc/32/74/55/446327455.db2.gz DWOBMFXEAPBYGO-KRWDZBQOSA-N 1 0 346.387 1.890 20 5 EDBDRO Cc1ccc(NCCCNC(=O)NC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000417713757 446370642 /nfs/dbraw/zinc/37/06/42/446370642.db2.gz HKGQGVPWWSZRQN-CYBMUJFWSA-N 1 0 335.408 1.756 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CCC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000376227523 446390590 /nfs/dbraw/zinc/39/05/90/446390590.db2.gz JGVDLWDGWBVHEY-GFCCVEGCSA-N 1 0 334.376 1.759 20 5 EDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000417946340 446394200 /nfs/dbraw/zinc/39/42/00/446394200.db2.gz RGXUHYSIIWTBSV-UHFFFAOYSA-N 1 0 332.404 1.922 20 5 EDBDRO COc1cc(OCC(=O)N(C2CC2)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000370786639 446441471 /nfs/dbraw/zinc/44/14/71/446441471.db2.gz KJTOPIIOWPVQIX-UHFFFAOYSA-N 1 0 349.387 1.725 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000375016742 446516410 /nfs/dbraw/zinc/51/64/10/446516410.db2.gz FXDODVQTRFZYMU-CZUORRHYSA-N 1 0 332.404 1.949 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000433155159 446538341 /nfs/dbraw/zinc/53/83/41/446538341.db2.gz CWMZKAWZHSVIEZ-GVXVVHGQSA-N 1 0 337.376 1.945 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000420413727 446586406 /nfs/dbraw/zinc/58/64/06/446586406.db2.gz FPFYJBKYDCZHRO-FUNVUKJBSA-N 1 0 339.417 1.773 20 5 EDBDRO [NH3+][C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000420417080 446590177 /nfs/dbraw/zinc/59/01/77/446590177.db2.gz KJHWYTIDDFFGJV-OAHLLOKOSA-N 1 0 349.412 1.757 20 5 EDBDRO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420421728 446597471 /nfs/dbraw/zinc/59/74/71/446597471.db2.gz LJZNPJQSHCGQJF-AAEUAGOBSA-N 1 0 327.406 1.136 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420427327 446601918 /nfs/dbraw/zinc/60/19/18/446601918.db2.gz KIOIOFGBMDVNDY-FZMZJTMJSA-N 1 0 327.406 1.055 20 5 EDBDRO C[C@@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000420428480 446602698 /nfs/dbraw/zinc/60/26/98/446602698.db2.gz YTRVCQBEGYFJED-OCCSQVGLSA-N 1 0 341.433 1.445 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000420462407 446640486 /nfs/dbraw/zinc/64/04/86/446640486.db2.gz HMFUEBREISJDEI-DGCLKSJQSA-N 1 0 341.433 1.953 20 5 EDBDRO O=C(CC[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000411670878 446641243 /nfs/dbraw/zinc/64/12/43/446641243.db2.gz KZZJETQMESBMGT-ZIAGYGMSSA-N 1 0 332.360 1.134 20 5 EDBDRO COCC[C@]1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000376693901 446656824 /nfs/dbraw/zinc/65/68/24/446656824.db2.gz DNCJUWWEODAFLB-MRXNPFEDSA-N 1 0 336.392 1.139 20 5 EDBDRO CCC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC(N)=O ZINC000411755009 446668831 /nfs/dbraw/zinc/66/88/31/446668831.db2.gz GGKBKLBFFYFWDP-UHFFFAOYSA-N 1 0 338.364 1.129 20 5 EDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000423739512 446671505 /nfs/dbraw/zinc/67/15/05/446671505.db2.gz IHIMPHGSAZTOIA-STQMWFEESA-N 1 0 348.403 1.289 20 5 EDBDRO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2ccccc2[N+](=O)[O-])C1=O ZINC000371092142 446623443 /nfs/dbraw/zinc/62/34/43/446623443.db2.gz ZFFKNBWKWKVXRB-BLLLJJGKSA-N 1 0 332.360 1.405 20 5 EDBDRO C[C@H]1C[N@@H+](C2CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC2)CCO1 ZINC000420581996 446689796 /nfs/dbraw/zinc/68/97/96/446689796.db2.gz GOQRLJJCBNLVAO-LBPRGKRZSA-N 1 0 348.403 1.383 20 5 EDBDRO C[C@H](NC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000418786085 446700846 /nfs/dbraw/zinc/70/08/46/446700846.db2.gz RSHOQABESQEWQJ-SLEUVZQESA-N 1 0 348.403 1.358 20 5 EDBDRO NS(=O)(=O)c1cccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000368297491 446766274 /nfs/dbraw/zinc/76/62/74/446766274.db2.gz FHUISIHXJNVWKY-WDEREUQCSA-N 1 0 340.405 1.281 20 5 EDBDRO [NH3+]C[C@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCC1 ZINC000423968693 446800857 /nfs/dbraw/zinc/80/08/57/446800857.db2.gz UZZSGFWZMOUFBK-ZDUSSCGKSA-N 1 0 349.387 1.542 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000412041371 446804378 /nfs/dbraw/zinc/80/43/78/446804378.db2.gz JKFWXZVOUMJDFF-YDHLFZDLSA-N 1 0 333.388 1.935 20 5 EDBDRO CN(C)C(=O)CN1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000371438246 446854694 /nfs/dbraw/zinc/85/46/94/446854694.db2.gz DKZZLGMSNUEWMQ-UHFFFAOYSA-N 1 0 334.420 1.233 20 5 EDBDRO C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000371481071 446883878 /nfs/dbraw/zinc/88/38/78/446883878.db2.gz SVZFPBRRIAJHHD-PPHDSNJXSA-N 1 0 346.387 1.966 20 5 EDBDRO CCOc1cc(N2CC[NH+](C[C@H]3C[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000420963788 446935442 /nfs/dbraw/zinc/93/54/42/446935442.db2.gz MVWPKZCBVSEQCS-OTVXOJSOSA-N 1 0 335.404 1.886 20 5 EDBDRO C[C@H](NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000419132758 446941643 /nfs/dbraw/zinc/94/16/43/446941643.db2.gz FFOPVGKPPDKUEW-QWHCGFSZSA-N 1 0 348.403 1.278 20 5 EDBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCC1CC1 ZINC000420971427 446941925 /nfs/dbraw/zinc/94/19/25/446941925.db2.gz IDMAUONLEGRFPP-UHFFFAOYSA-N 1 0 327.406 1.605 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH3+])[C@H](c2ccc(F)cc2)C1 ZINC000375923168 447151529 /nfs/dbraw/zinc/15/15/29/447151529.db2.gz SFXOOVCLPGWYLT-HOCLYGCPSA-N 1 0 344.346 1.883 20 5 EDBDRO Cc1cc(N[C@H]2CC[N@H+](CCN3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000372605656 447178121 /nfs/dbraw/zinc/17/81/21/447178121.db2.gz JHPUUXYZPRGTGH-AWEZNQCLSA-N 1 0 335.408 1.117 20 5 EDBDRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3N)C2)CC1 ZINC000372728699 447251693 /nfs/dbraw/zinc/25/16/93/447251693.db2.gz SJVSEWQIEMFGLI-LBPRGKRZSA-N 1 0 347.419 1.075 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425727331 447280720 /nfs/dbraw/zinc/28/07/20/447280720.db2.gz QYIVJXOZVYQHAH-GOEBONIOSA-N 1 0 332.404 1.873 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000415462792 447453335 /nfs/dbraw/zinc/45/33/35/447453335.db2.gz PXPXYNWGSRWVLZ-VXGBXAGGSA-N 1 0 334.376 1.394 20 5 EDBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000456898861 447481652 /nfs/dbraw/zinc/48/16/52/447481652.db2.gz LWVSSDWBYOXPPA-UHFFFAOYSA-N 1 0 334.420 1.741 20 5 EDBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416357507 447579916 /nfs/dbraw/zinc/57/99/16/447579916.db2.gz DNHIDDFUIAYNOR-UHFFFAOYSA-N 1 0 341.311 1.454 20 5 EDBDRO CN(c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420213864 447672799 /nfs/dbraw/zinc/67/27/99/447672799.db2.gz INNQUPHKIIENGB-DHHPTOIESA-N 1 0 329.360 1.963 20 5 EDBDRO C[C@@H]1C[C@H](C)N(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000422635124 447681878 /nfs/dbraw/zinc/68/18/78/447681878.db2.gz KXFDQHOUEGUTBJ-HZSPNIEDSA-N 1 0 334.420 1.863 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000422771956 447746288 /nfs/dbraw/zinc/74/62/88/447746288.db2.gz WMTJFCNQPWUGTL-NEPJUHHUSA-N 1 0 349.387 1.889 20 5 EDBDRO C[C@H](NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000422953563 447779352 /nfs/dbraw/zinc/77/93/52/447779352.db2.gz FQAFTYRHBVLKRG-LBPRGKRZSA-N 1 0 346.387 1.127 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000575746156 447888808 /nfs/dbraw/zinc/88/88/08/447888808.db2.gz YCGPRRGMXPHIOH-GXFFZTMASA-N 1 0 333.344 1.190 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[N@@H+]1C1CC1 ZINC000530767566 447953199 /nfs/dbraw/zinc/95/31/99/447953199.db2.gz QGENBSLUEMYRHA-WDEREUQCSA-N 1 0 347.371 1.721 20 5 EDBDRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000496870116 447986257 /nfs/dbraw/zinc/98/62/57/447986257.db2.gz GPZHDXVWAGZSDZ-MRXNPFEDSA-N 1 0 339.392 1.960 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2C[C@@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000570223048 447967398 /nfs/dbraw/zinc/96/73/98/447967398.db2.gz LAHZTQCXFFPNIL-QCZZGDTMSA-N 1 0 337.376 1.679 20 5 EDBDRO CCC[N@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000531311176 448060766 /nfs/dbraw/zinc/06/07/66/448060766.db2.gz IRPIVPGOWDDLMJ-UHFFFAOYSA-N 1 0 337.376 1.828 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000531283517 448053095 /nfs/dbraw/zinc/05/30/95/448053095.db2.gz OTENBAJELGRIDO-NSHDSACASA-N 1 0 334.376 1.300 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)c1 ZINC000570794277 448065280 /nfs/dbraw/zinc/06/52/80/448065280.db2.gz HDVTYLVTXMDDIY-WMLDXEAASA-N 1 0 345.403 1.268 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCc2cccnc2)cc1 ZINC000570794330 448065790 /nfs/dbraw/zinc/06/57/90/448065790.db2.gz JWEGJVXCNQCKEU-UHFFFAOYSA-N 1 0 335.385 1.596 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)c1 ZINC000570794278 448065867 /nfs/dbraw/zinc/06/58/67/448065867.db2.gz HDVTYLVTXMDDIY-YOEHRIQHSA-N 1 0 345.403 1.268 20 5 EDBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492682539 448255349 /nfs/dbraw/zinc/25/53/49/448255349.db2.gz SZBDZGBIQZWSSZ-LZNQSLFOSA-N 1 0 346.431 1.750 20 5 EDBDRO C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000563373704 448298335 /nfs/dbraw/zinc/29/83/35/448298335.db2.gz KSWGOXJDBOYSAS-LBPRGKRZSA-N 1 0 343.387 1.822 20 5 EDBDRO COC(=O)COc1ccc(CNC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591275608 448304252 /nfs/dbraw/zinc/30/42/52/448304252.db2.gz JMKASKJYODOPCF-CYBMUJFWSA-N 1 0 337.376 1.378 20 5 EDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000591356147 448339439 /nfs/dbraw/zinc/33/94/39/448339439.db2.gz YPMFLZLCBCKDNF-QGZVFWFLSA-N 1 0 332.404 1.922 20 5 EDBDRO CC(C)Oc1nc(NCCN2CCOCC2(C)C)ccc1[N+](=O)[O-] ZINC000577626515 448346338 /nfs/dbraw/zinc/34/63/38/448346338.db2.gz IRFLMDPDIAOIAI-UHFFFAOYSA-N 1 0 338.408 2.300 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCCC1=CC[NH2+]CC1 ZINC000591351690 448336450 /nfs/dbraw/zinc/33/64/50/448336450.db2.gz WFQGXWRNVWUGMF-UHFFFAOYSA-N 1 0 334.376 1.583 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H](CO)c1cccnc1 ZINC000566233953 448423592 /nfs/dbraw/zinc/42/35/92/448423592.db2.gz ODWKROYVJAUGAO-CABCVRRESA-N 1 0 347.371 1.095 20 5 EDBDRO C[S@@](=O)C1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000591765323 448486227 /nfs/dbraw/zinc/48/62/27/448486227.db2.gz PYIDYARUYIQNEQ-JOCHJYFZSA-N 1 0 325.390 1.424 20 5 EDBDRO CC(C)[N@H+](C)C[C@H](O)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000516878153 448488157 /nfs/dbraw/zinc/48/81/57/448488157.db2.gz ADESMIVUYPEIKL-ZDUSSCGKSA-N 1 0 336.348 1.113 20 5 EDBDRO Cc1csc(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000591724822 448472459 /nfs/dbraw/zinc/47/24/59/448472459.db2.gz GDHXMEUXABBZDN-GFCCVEGCSA-N 1 0 337.401 1.932 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[C@@H](CO)C2)c1 ZINC000584529937 448559540 /nfs/dbraw/zinc/55/95/40/448559540.db2.gz FWWLKYNJNKWMBB-SQWLQELKSA-N 1 0 338.404 1.723 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)c1 ZINC000584528927 448559685 /nfs/dbraw/zinc/55/96/85/448559685.db2.gz GDDWCMFCHXXIFM-GFCCVEGCSA-N 1 0 327.406 1.571 20 5 EDBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000578988898 448687762 /nfs/dbraw/zinc/68/77/62/448687762.db2.gz RACPMPFJKSCHQE-RYUDHWBXSA-N 1 0 348.403 1.328 20 5 EDBDRO [NH3+]CCC1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000568052317 448807478 /nfs/dbraw/zinc/80/74/78/448807478.db2.gz VWJYARVMINWPNS-UHFFFAOYSA-N 1 0 336.392 1.744 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000592381802 448813642 /nfs/dbraw/zinc/81/36/42/448813642.db2.gz FOFAYVCQWNCLIX-HIFRSBDPSA-N 1 0 341.433 1.526 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000592329302 448793365 /nfs/dbraw/zinc/79/33/65/448793365.db2.gz WBXYFKCFVZMICW-NWDGAFQWSA-N 1 0 338.412 1.086 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592387350 448817655 /nfs/dbraw/zinc/81/76/55/448817655.db2.gz NQPPNAFPRUPCCM-LBPRGKRZSA-N 1 0 327.406 1.578 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000592474806 448852062 /nfs/dbraw/zinc/85/20/62/448852062.db2.gz AHCJJMJDAQWXRK-ZANVPECISA-N 1 0 342.783 1.235 20 5 EDBDRO CC1([NH3+])CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000592484932 448855854 /nfs/dbraw/zinc/85/58/54/448855854.db2.gz JJDNVIMIOPAPMJ-UHFFFAOYSA-N 1 0 334.376 1.706 20 5 EDBDRO CC1([NH3+])CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000592485185 448857059 /nfs/dbraw/zinc/85/70/59/448857059.db2.gz QQPMNJLOYPDITH-UHFFFAOYSA-N 1 0 327.406 1.182 20 5 EDBDRO C[NH+]1CCC([C@@H]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)CC1 ZINC000588007007 448856647 /nfs/dbraw/zinc/85/66/47/448856647.db2.gz YIPWRXFUCYJIQA-CYBMUJFWSA-N 1 0 334.420 1.837 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@H]2CC(N)=O)c1 ZINC000589497561 449026030 /nfs/dbraw/zinc/02/60/30/449026030.db2.gz LPIHILMNEPYVTE-ZDUSSCGKSA-N 1 0 335.360 1.611 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1C ZINC000589929548 449083376 /nfs/dbraw/zinc/08/33/76/449083376.db2.gz JYYZDNAPPFBWGB-OCCSQVGLSA-N 1 0 339.417 1.536 20 5 EDBDRO CC(C)[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000548387260 449037298 /nfs/dbraw/zinc/03/72/98/449037298.db2.gz DJWMCMHWERJMDQ-AWEZNQCLSA-N 1 0 349.435 2.058 20 5 EDBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000522190459 449060868 /nfs/dbraw/zinc/06/08/68/449060868.db2.gz PFNAEZFEDSLRLD-UHFFFAOYSA-N 1 0 337.424 1.031 20 5 EDBDRO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCc2ccccc21 ZINC000595630724 449089417 /nfs/dbraw/zinc/08/94/17/449089417.db2.gz BLRINPFKJHEADR-INIZCTEOSA-N 1 0 344.415 1.988 20 5 EDBDRO C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[NH2+]1 ZINC000599896727 449103778 /nfs/dbraw/zinc/10/37/78/449103778.db2.gz RMNDOFHWHXBCTN-IUCAKERBSA-N 1 0 340.767 1.443 20 5 EDBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1COCC[NH2+]1 ZINC000599918416 449108480 /nfs/dbraw/zinc/10/84/80/449108480.db2.gz PJBBMBWOJHTJCD-GFCCVEGCSA-N 1 0 342.783 1.078 20 5 EDBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595678108 449115658 /nfs/dbraw/zinc/11/56/58/449115658.db2.gz QPBLSPZUGHTOKU-ILXRZTDVSA-N 1 0 338.404 1.817 20 5 EDBDRO CC(C)(C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599938116 449117198 /nfs/dbraw/zinc/11/71/98/449117198.db2.gz MOMFHEFPAGGTHT-HZPDHXFCSA-N 1 0 347.415 1.540 20 5 EDBDRO Cc1ccc(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000597942773 449152534 /nfs/dbraw/zinc/15/25/34/449152534.db2.gz OHFLYBPFYDRBDJ-AWEZNQCLSA-N 1 0 336.436 1.905 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595760943 449152658 /nfs/dbraw/zinc/15/26/58/449152658.db2.gz VPOVBEFUKCZSSG-SJCJKPOMSA-N 1 0 349.387 1.900 20 5 EDBDRO [NH3+]CC1(CCNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000593717442 449158787 /nfs/dbraw/zinc/15/87/87/449158787.db2.gz AQEATBCCEUWWJB-UHFFFAOYSA-N 1 0 336.396 1.267 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000595779399 449160373 /nfs/dbraw/zinc/16/03/73/449160373.db2.gz DRHRQUIRBXFAIP-NZVBXONLSA-N 1 0 349.387 1.824 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000595779400 449160534 /nfs/dbraw/zinc/16/05/34/449160534.db2.gz DRHRQUIRBXFAIP-VQISRLSMSA-N 1 0 349.387 1.824 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000590442803 449163669 /nfs/dbraw/zinc/16/36/69/449163669.db2.gz HIXCUOGFFOGBHZ-CABZTGNLSA-N 1 0 341.314 1.972 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NCCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000593732043 449166660 /nfs/dbraw/zinc/16/66/60/449166660.db2.gz HMDIQAILGSNPJT-UHFFFAOYSA-N 1 0 341.433 1.880 20 5 EDBDRO COC(=O)[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]2CCCC[C@H]12 ZINC000595736893 449138866 /nfs/dbraw/zinc/13/88/66/449138866.db2.gz NWKNTVWLKXMWFZ-MGPQQGTHSA-N 1 0 336.392 1.845 20 5 EDBDRO O=C1C[C@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CN1C1CC1 ZINC000593682096 449145192 /nfs/dbraw/zinc/14/51/92/449145192.db2.gz UDXKDVGGXYREAQ-LLVKDONJSA-N 1 0 347.371 1.467 20 5 EDBDRO Cc1cc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000590399147 449147751 /nfs/dbraw/zinc/14/77/51/449147751.db2.gz CGYZGIHLOPCVNM-CVEARBPZSA-N 1 0 333.388 1.838 20 5 EDBDRO Cc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000590399158 449147786 /nfs/dbraw/zinc/14/77/86/449147786.db2.gz CGYZGIHLOPCVNM-HZPDHXFCSA-N 1 0 333.388 1.838 20 5 EDBDRO C[C@@H](CCNC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000597991317 449174738 /nfs/dbraw/zinc/17/47/38/449174738.db2.gz DHLVUEWRBDOIBA-JTQLQIEISA-N 1 0 343.405 1.068 20 5 EDBDRO C[C@@H](C(=O)NCCN(C)CCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000597990503 449174897 /nfs/dbraw/zinc/17/48/97/449174897.db2.gz XKWDRWBYWHBGQG-CQSZACIVSA-N 1 0 336.436 1.698 20 5 EDBDRO CC[C@H]1CN(C)CCN1C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000590522945 449180031 /nfs/dbraw/zinc/18/00/31/449180031.db2.gz IKAIRTVXFDSOKW-OCCSQVGLSA-N 1 0 348.403 1.266 20 5 EDBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000604303612 449202184 /nfs/dbraw/zinc/20/21/84/449202184.db2.gz UMMHAROAPGGLSB-JHJVBQTASA-N 1 0 347.419 1.930 20 5 EDBDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000601851010 449183753 /nfs/dbraw/zinc/18/37/53/449183753.db2.gz QWDYUWVVTWOLQA-HNNXBMFYSA-N 1 0 343.387 1.490 20 5 EDBDRO C[NH+]1CCC2(CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000590547911 449183973 /nfs/dbraw/zinc/18/39/73/449183973.db2.gz OULVLGUNYWSNNU-UHFFFAOYSA-N 1 0 332.404 1.951 20 5 EDBDRO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3nn(C)cc3[N+](=O)[O-])C2)c1 ZINC000601851637 449184001 /nfs/dbraw/zinc/18/40/01/449184001.db2.gz UZHCQSKOYQFLRD-AWEZNQCLSA-N 1 0 343.387 1.641 20 5 EDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000590566152 449192952 /nfs/dbraw/zinc/19/29/52/449192952.db2.gz FICXXHOWNWWSJU-DGCLKSJQSA-N 1 0 344.375 1.340 20 5 EDBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590658928 449235290 /nfs/dbraw/zinc/23/52/90/449235290.db2.gz REWORNSTEURDAP-BDJLRTHQSA-N 1 0 338.360 1.507 20 5 EDBDRO CC(C)(C(=O)N1CC(N2CC[C@@H](O)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000593856085 449240594 /nfs/dbraw/zinc/24/05/94/449240594.db2.gz VCOTYRORSXMYKI-OAHLLOKOSA-N 1 0 333.388 1.150 20 5 EDBDRO NC(=O)CC[C@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611266500 449244240 /nfs/dbraw/zinc/24/42/40/449244240.db2.gz ISOFCZXBDSGZDS-GFCCVEGCSA-N 1 0 349.387 1.844 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC2CC1(C[NH3+])C2 ZINC000595907734 449246472 /nfs/dbraw/zinc/24/64/72/449246472.db2.gz FEFCKNQIIFHHHX-SGWRBKMISA-N 1 0 334.376 1.354 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC000595909346 449247160 /nfs/dbraw/zinc/24/71/60/449247160.db2.gz LSLPTLHGNCDPCN-OAGGEKHMSA-N 1 0 336.392 1.045 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NCC2([NH3+])CCCC2)cc([N+](=O)[O-])c1 ZINC000595941376 449268876 /nfs/dbraw/zinc/26/88/76/449268876.db2.gz NGXRJAFZLLSHKH-UHFFFAOYSA-N 1 0 335.360 1.773 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000595947802 449274422 /nfs/dbraw/zinc/27/44/22/449274422.db2.gz OCRUOVFYONTJMM-UHFFFAOYSA-N 1 0 331.332 1.096 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NCCC2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000593919443 449286908 /nfs/dbraw/zinc/28/69/08/449286908.db2.gz RGBDFLXZSGMPPF-UHFFFAOYSA-N 1 0 349.387 1.891 20 5 EDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000593920512 449288280 /nfs/dbraw/zinc/28/82/80/449288280.db2.gz KLCXXLZIGPGHER-YPMHNXCESA-N 1 0 327.406 1.279 20 5 EDBDRO COc1ccc(OCC[N@H+](C)[C@@H]2CCC(=O)N(C)C2)c([N+](=O)[O-])c1 ZINC000593992438 449315901 /nfs/dbraw/zinc/31/59/01/449315901.db2.gz QXSPEHKQCJSYTR-GFCCVEGCSA-N 1 0 337.376 1.535 20 5 EDBDRO COc1cccc2c1CN(CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000590760037 449278113 /nfs/dbraw/zinc/27/81/13/449278113.db2.gz MIEQOALZSOOJAS-UHFFFAOYSA-N 1 0 329.356 1.823 20 5 EDBDRO CCN1CC[NH+](C[C@@H](C)CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596081671 449353305 /nfs/dbraw/zinc/35/33/05/449353305.db2.gz ITIBMOWMBCVLKG-ZDUSSCGKSA-N 1 0 349.435 1.379 20 5 EDBDRO CCN1CC[NH+](C[C@H](C)CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596081667 449353611 /nfs/dbraw/zinc/35/36/11/449353611.db2.gz ITIBMOWMBCVLKG-CYBMUJFWSA-N 1 0 349.435 1.379 20 5 EDBDRO NS(=O)(=O)c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000596082934 449355152 /nfs/dbraw/zinc/35/51/52/449355152.db2.gz QBVMVFMODRKIIC-NEPJUHHUSA-N 1 0 340.405 1.281 20 5 EDBDRO O=C([C@H]1C[N@@H+]2CCC[C@H]2CO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602131856 449369849 /nfs/dbraw/zinc/36/98/49/449369849.db2.gz DKWGIDMIMLXKAH-DLBZAZTESA-N 1 0 345.399 1.949 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC3(CCC3)[C@@H]2c2ccncc2)c1 ZINC000596040763 449333102 /nfs/dbraw/zinc/33/31/02/449333102.db2.gz YUQUDLOCRMAKEU-CVEARBPZSA-N 1 0 343.387 1.774 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611702488 449388029 /nfs/dbraw/zinc/38/80/29/449388029.db2.gz UIYZHDBEMXDACL-ZDUSSCGKSA-N 1 0 344.419 1.976 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594325064 449450162 /nfs/dbraw/zinc/45/01/62/449450162.db2.gz AUIOCRJUQFMTIG-HUUCEWRRSA-N 1 0 346.387 1.666 20 5 EDBDRO CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000600620733 449462477 /nfs/dbraw/zinc/46/24/77/449462477.db2.gz UBMLOXFVVGKXRW-HRCADAONSA-N 1 0 333.388 1.966 20 5 EDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000594351327 449462783 /nfs/dbraw/zinc/46/27/83/449462783.db2.gz SBDGHCKKWMRVOA-GFCCVEGCSA-N 1 0 348.403 1.899 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000596307840 449468088 /nfs/dbraw/zinc/46/80/88/449468088.db2.gz PJXNTUVSSZKLTK-LLVKDONJSA-N 1 0 342.421 1.527 20 5 EDBDRO CC(C)[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598576689 449472897 /nfs/dbraw/zinc/47/28/97/449472897.db2.gz YVUJQMSLKDCGRF-AWEZNQCLSA-N 1 0 343.387 1.851 20 5 EDBDRO COC(=O)c1ccnc(NCCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000598585309 449477205 /nfs/dbraw/zinc/47/72/05/449477205.db2.gz ABVKMBKMSAMDRJ-LBPRGKRZSA-N 1 0 336.392 2.453 20 5 EDBDRO COCC[N@@H+]1CCC[C@H](Nc2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000598594480 449480842 /nfs/dbraw/zinc/48/08/42/449480842.db2.gz KTAYFXNRWGBGON-NSHDSACASA-N 1 0 338.364 1.299 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598605260 449487940 /nfs/dbraw/zinc/48/79/40/449487940.db2.gz BBTKVBGIUOFMAA-YPMHNXCESA-N 1 0 341.433 1.973 20 5 EDBDRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000600684435 449491548 /nfs/dbraw/zinc/49/15/48/449491548.db2.gz VZKKSMLZEWXGSI-UHFFFAOYSA-N 1 0 336.392 1.640 20 5 EDBDRO Cc1cccc2c1C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CO2 ZINC000600747358 449530897 /nfs/dbraw/zinc/53/08/97/449530897.db2.gz LDXIJNYHRBCEDI-OCCSQVGLSA-N 1 0 332.360 1.054 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000594476599 449541287 /nfs/dbraw/zinc/54/12/87/449541287.db2.gz UNQGHFJCYSLRLS-JGZJWPJOSA-N 1 0 331.369 1.352 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCN1C[C@H](C)OC[C@@H]1C ZINC000596426505 449496676 /nfs/dbraw/zinc/49/66/76/449496676.db2.gz BBIHYPYZUQHAGY-RYUDHWBXSA-N 1 0 336.392 1.476 20 5 EDBDRO CN(C)C(=O)CN(CC[NH+](C)C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000596463836 449515815 /nfs/dbraw/zinc/51/58/15/449515815.db2.gz TUPQTLCTFABXFG-UHFFFAOYSA-N 1 0 345.403 1.599 20 5 EDBDRO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000594441227 449519667 /nfs/dbraw/zinc/51/96/67/449519667.db2.gz OYZZIXJZXALUKU-WMZOPIPTSA-N 1 0 344.415 1.633 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000594549531 449572057 /nfs/dbraw/zinc/57/20/57/449572057.db2.gz CHDTZYDMRJDUCC-CYBMUJFWSA-N 1 0 338.408 2.300 20 5 EDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602429664 449579502 /nfs/dbraw/zinc/57/95/02/449579502.db2.gz WMZTYKQTBYSITF-QMMMGPOBSA-N 1 0 328.166 1.778 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000596566771 449555489 /nfs/dbraw/zinc/55/54/89/449555489.db2.gz MGCDVFBGYCCXGU-ZDUSSCGKSA-N 1 0 325.413 1.667 20 5 EDBDRO NC(=O)c1ccnc(NC[C@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000596570673 449557109 /nfs/dbraw/zinc/55/71/09/449557109.db2.gz MLINPXANKJWAAM-GFCCVEGCSA-N 1 0 333.392 1.623 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598714752 449558589 /nfs/dbraw/zinc/55/85/89/449558589.db2.gz KFPXEJWFPHAPAV-NWDGAFQWSA-N 1 0 327.406 1.583 20 5 EDBDRO Cn1cc(C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c([N+](=O)[O-])n1 ZINC000602448404 449595154 /nfs/dbraw/zinc/59/51/54/449595154.db2.gz HJPPVHJWRQVZPO-OKILXGFUSA-N 1 0 327.388 1.897 20 5 EDBDRO CNC(=O)c1ccc(N2CCc3[nH+]ccc(N)c3C2)c([N+](=O)[O-])c1 ZINC000598944114 449662309 /nfs/dbraw/zinc/66/23/09/449662309.db2.gz WUKRTHIJMUUWID-UHFFFAOYSA-N 1 0 327.344 1.494 20 5 EDBDRO O=[N+]([O-])c1sc(C[NH2+]CCOCCO)cc1Br ZINC000602498327 449631763 /nfs/dbraw/zinc/63/17/63/449631763.db2.gz IDUKDYMNKFEBDX-UHFFFAOYSA-N 1 0 325.184 1.517 20 5 EDBDRO Cn1cc([C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C[C@H]2[NH3+])cn1 ZINC000598913973 449644102 /nfs/dbraw/zinc/64/41/02/449644102.db2.gz SQZXNFTVQLJPOT-WCQYABFASA-N 1 0 348.338 1.426 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000598913258 449644152 /nfs/dbraw/zinc/64/41/52/449644152.db2.gz HAAIOVGLZLTZMJ-LBPRGKRZSA-N 1 0 334.376 1.814 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000599106145 449738257 /nfs/dbraw/zinc/73/82/57/449738257.db2.gz SMOUDMMJKUNVFQ-NEPJUHHUSA-N 1 0 327.406 1.630 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1COCCN1C ZINC000599081624 449720850 /nfs/dbraw/zinc/72/08/50/449720850.db2.gz SMGRBRKEPCYXFY-IUODEOHRSA-N 1 0 336.392 1.232 20 5 EDBDRO C[N@@H+]1CCCN(CCCNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601166143 449729180 /nfs/dbraw/zinc/72/91/80/449729180.db2.gz JWWCCMCBPMDJRO-UHFFFAOYSA-N 1 0 338.383 1.491 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1C ZINC000599102382 449732983 /nfs/dbraw/zinc/73/29/83/449732983.db2.gz DUVVNMSRHAFRAZ-NWDGAFQWSA-N 1 0 327.406 1.630 20 5 EDBDRO C[S@@](=O)C1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602657131 449734318 /nfs/dbraw/zinc/73/43/18/449734318.db2.gz OWJCGIJSVOZYHS-HSZRJFAPSA-N 1 0 338.433 1.459 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599104844 449736344 /nfs/dbraw/zinc/73/63/44/449736344.db2.gz OQXXJZDOEJZWSM-ZJUUUORDSA-N 1 0 329.378 1.022 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000602584274 449687354 /nfs/dbraw/zinc/68/73/54/449687354.db2.gz YVLRCGZDFWPCIE-KRWDZBQOSA-N 1 0 347.415 1.754 20 5 EDBDRO CC(C)C[C@H](Nc1ccc([N+](=O)[O-])nc1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000601191443 449742547 /nfs/dbraw/zinc/74/25/47/449742547.db2.gz JBQGMISGSYIJDO-GJZGRUSLSA-N 1 0 349.435 1.979 20 5 EDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000599112233 449743525 /nfs/dbraw/zinc/74/35/25/449743525.db2.gz WQFXJOQONDRQPA-GASCZTMLSA-N 1 0 339.417 1.356 20 5 EDBDRO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H](O)C(F)F ZINC000602678195 449746062 /nfs/dbraw/zinc/74/60/62/449746062.db2.gz JPABMKYZBRWMKQ-GXTWGEPZSA-N 1 0 344.362 1.953 20 5 EDBDRO CN(C[C@H]1CN(C)CCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000601224936 449760213 /nfs/dbraw/zinc/76/02/13/449760213.db2.gz JHEPTPWWVMTWRD-LLVKDONJSA-N 1 0 326.328 1.528 20 5 EDBDRO CC[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000594918777 449807661 /nfs/dbraw/zinc/80/76/61/449807661.db2.gz SGNLRZWGKDEMFW-AAEUAGOBSA-N 1 0 343.405 1.030 20 5 EDBDRO CC[NH+]1CCC(NS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601303002 449813006 /nfs/dbraw/zinc/81/30/06/449813006.db2.gz AGTOEGOWXWQIDT-UHFFFAOYSA-N 1 0 333.435 1.727 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000602832081 449843112 /nfs/dbraw/zinc/84/31/12/449843112.db2.gz QDZMVWMABSJTND-QWRGUYRKSA-N 1 0 336.314 1.592 20 5 EDBDRO C[NH2+]CC1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000601338485 449847014 /nfs/dbraw/zinc/84/70/14/449847014.db2.gz XCEKLSSDGCLNTG-UHFFFAOYSA-N 1 0 345.396 1.662 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000595118458 449878622 /nfs/dbraw/zinc/87/86/22/449878622.db2.gz QMJARIKTTLNWAU-MNOVXSKESA-N 1 0 343.405 1.351 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1([NH3+])CCCC1 ZINC000595119795 449880200 /nfs/dbraw/zinc/88/02/00/449880200.db2.gz HOSPBOFROYEHIK-UHFFFAOYSA-N 1 0 329.378 1.153 20 5 EDBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000601427791 449947817 /nfs/dbraw/zinc/94/78/17/449947817.db2.gz HJSPOHBICFIGOO-UHFFFAOYSA-N 1 0 328.394 1.095 20 5 EDBDRO CS[C@H]1CN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000602950567 449952652 /nfs/dbraw/zinc/95/26/52/449952652.db2.gz FVDNHCFWNWASRE-NEPJUHHUSA-N 1 0 339.421 1.229 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000595237883 449967194 /nfs/dbraw/zinc/96/71/94/449967194.db2.gz GFNGYMYAISUODJ-UHFFFAOYSA-N 1 0 334.376 1.483 20 5 EDBDRO C[C@H]1CCCN1C(=O)CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602966138 449969025 /nfs/dbraw/zinc/96/90/25/449969025.db2.gz YDHCHQXJIONPKJ-GUYCJALGSA-N 1 0 335.404 1.793 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000601445475 449969496 /nfs/dbraw/zinc/96/94/96/449969496.db2.gz CTONAHDSOXIWSX-LLVKDONJSA-N 1 0 345.396 1.757 20 5 EDBDRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000609163544 449972166 /nfs/dbraw/zinc/97/21/66/449972166.db2.gz IYHDIMUFJVHYLH-UHFFFAOYSA-N 1 0 345.359 1.467 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000609189076 449975374 /nfs/dbraw/zinc/97/53/74/449975374.db2.gz JJQFRCHBNQHREW-UHFFFAOYSA-N 1 0 339.392 1.183 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000609268775 449995560 /nfs/dbraw/zinc/99/55/60/449995560.db2.gz AYMXBFWBWFSFNE-CYBMUJFWSA-N 1 0 346.387 1.917 20 5 EDBDRO CC(C)(C)C[N@H+](CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609316853 450005335 /nfs/dbraw/zinc/00/53/35/450005335.db2.gz AJAYLRCWZGBKFV-CQSZACIVSA-N 1 0 326.393 1.675 20 5 EDBDRO CO[C@@H](C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CCOC1 ZINC000595291617 450007043 /nfs/dbraw/zinc/00/70/43/450007043.db2.gz PTHZECFFOUKPFW-PBHICJAKSA-N 1 0 335.404 1.768 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000595353377 450067195 /nfs/dbraw/zinc/06/71/95/450067195.db2.gz HHRGPZLKPTXQJM-ZDUSSCGKSA-N 1 0 341.433 1.974 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601556096 450070544 /nfs/dbraw/zinc/07/05/44/450070544.db2.gz JPCCABAMNYPTTG-CMPLNLGQSA-N 1 0 333.344 1.538 20 5 EDBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609412895 450025522 /nfs/dbraw/zinc/02/55/22/450025522.db2.gz DAOGHXOPWJMAGE-SNVBAGLBSA-N 1 0 333.344 1.538 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000595344927 450058825 /nfs/dbraw/zinc/05/88/25/450058825.db2.gz LBOCXHNQDWAQOW-AWEZNQCLSA-N 1 0 341.433 1.841 20 5 EDBDRO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H]1CCOC1 ZINC000609631774 450077323 /nfs/dbraw/zinc/07/73/23/450077323.db2.gz WHRHBSAMCQCCAN-CYBMUJFWSA-N 1 0 333.388 1.842 20 5 EDBDRO C[C@@H]1CN(CC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C[C@@H](C)O1 ZINC000595374608 450087718 /nfs/dbraw/zinc/08/77/18/450087718.db2.gz HPTRFVZWKNEWCQ-RBSFLKMASA-N 1 0 349.435 1.585 20 5 EDBDRO Cc1sc(S(=O)(=O)N[C@H](C)c2nccn2C)cc1[N+](=O)[O-] ZINC000595382401 450096783 /nfs/dbraw/zinc/09/67/83/450096783.db2.gz HHMAXALELULCKF-SSDOTTSWSA-N 1 0 330.391 1.738 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000597573836 450117765 /nfs/dbraw/zinc/11/77/65/450117765.db2.gz JMSYAAXHKWPHCK-KRWDZBQOSA-N 1 0 347.371 1.870 20 5 EDBDRO COc1c(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000597573638 450117941 /nfs/dbraw/zinc/11/79/41/450117941.db2.gz HEUHEEPMOIXONW-MRXNPFEDSA-N 1 0 337.376 1.132 20 5 EDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595455143 450153495 /nfs/dbraw/zinc/15/34/95/450153495.db2.gz RGCUETGWALTENZ-INIZCTEOSA-N 1 0 348.403 1.647 20 5 EDBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599702476 450163990 /nfs/dbraw/zinc/16/39/90/450163990.db2.gz QCVWVVIMGPLPQO-SNVBAGLBSA-N 1 0 328.756 1.436 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000597694509 450203005 /nfs/dbraw/zinc/20/30/05/450203005.db2.gz KSPZWQPJNSQBDZ-CABCVRRESA-N 1 0 349.387 1.539 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[NH+](C[C@H]4CCOC4)CC3)nc2c1 ZINC000618585086 450253048 /nfs/dbraw/zinc/25/30/48/450253048.db2.gz RPXQRBBWMDKQAE-GFCCVEGCSA-N 1 0 331.376 1.630 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CC(C2CCOCC2)C1 ZINC000619706027 450312061 /nfs/dbraw/zinc/31/20/61/450312061.db2.gz GWUKULAOOVSNCG-OAHLLOKOSA-N 1 0 336.388 1.693 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000618924345 450342792 /nfs/dbraw/zinc/34/27/92/450342792.db2.gz YJQMHNNQMLALHI-HNNXBMFYSA-N 1 0 325.340 1.263 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000619481584 450485841 /nfs/dbraw/zinc/48/58/41/450485841.db2.gz IYVYKLCVHDESGA-AWEZNQCLSA-N 1 0 336.440 1.336 20 5 EDBDRO Cc1c(CC(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000619565859 450507712 /nfs/dbraw/zinc/50/77/12/450507712.db2.gz IZZXUMLRRUFUFD-KRWDZBQOSA-N 1 0 335.404 1.361 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000154085936 534112839 /nfs/dbraw/zinc/11/28/39/534112839.db2.gz WIBCOVGWKQBJTP-AAEUAGOBSA-N 1 0 329.360 1.711 20 5 EDBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000190856230 528442381 /nfs/dbraw/zinc/44/23/81/528442381.db2.gz URWKQYBVZBVVRT-UHFFFAOYSA-N 1 0 345.421 1.566 20 5 EDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262162010 535308771 /nfs/dbraw/zinc/30/87/71/535308771.db2.gz JGPKQVCWBAXAEP-MRXNPFEDSA-N 1 0 331.376 1.884 20 5 EDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000341701784 535575793 /nfs/dbraw/zinc/57/57/93/535575793.db2.gz PGTLWIDTQOEKCA-LLVKDONJSA-N 1 0 337.376 1.842 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000263910285 535943201 /nfs/dbraw/zinc/94/32/01/535943201.db2.gz JCRAEKAZCAFIFM-ZDUSSCGKSA-N 1 0 344.375 1.342 20 5 EDBDRO C[NH+]1CCC([C@H]2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)C2)CC1 ZINC000270140951 536346240 /nfs/dbraw/zinc/34/62/40/536346240.db2.gz GEYUHFANEGUNOW-LBPRGKRZSA-N 1 0 333.392 1.257 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000348158449 536362089 /nfs/dbraw/zinc/36/20/89/536362089.db2.gz HVWTUULKQFISGL-OLZOCXBDSA-N 1 0 337.376 1.487 20 5 EDBDRO COC(=O)c1cc(NC(=O)[C@H]([NH3+])CCSC)cc([N+](=O)[O-])c1 ZINC000269038873 536555338 /nfs/dbraw/zinc/55/53/38/536555338.db2.gz GTUZPJYHVGJCTQ-LLVKDONJSA-N 1 0 327.362 1.400 20 5 EDBDRO C[NH+](C)CCCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000729283497 578563031 /nfs/dbraw/zinc/56/30/31/578563031.db2.gz SXADXBYCFJPUGH-UHFFFAOYSA-N 1 0 334.420 1.975 20 5 EDBDRO O=C1CCCN1C[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000731449982 578674986 /nfs/dbraw/zinc/67/49/86/578674986.db2.gz MKZDRNMWDNGIKI-LBPRGKRZSA-N 1 0 327.768 1.321 20 5 EDBDRO C[NH+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000733975769 578790570 /nfs/dbraw/zinc/79/05/70/578790570.db2.gz MVJKSXTZQAXFSZ-UHFFFAOYSA-N 1 0 336.348 1.917 20 5 EDBDRO C[NH+](C)C[C@H]1CN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CCO1 ZINC000738203713 579171516 /nfs/dbraw/zinc/17/15/16/579171516.db2.gz CBPAMVWHUDKLKB-KRWDZBQOSA-N 1 0 345.403 1.678 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749961709 579745572 /nfs/dbraw/zinc/74/55/72/579745572.db2.gz SZEXFAYUSUCQCR-ZDUSSCGKSA-N 1 0 332.408 1.879 20 5 EDBDRO CC(C)CN1CCO[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000754250433 579899393 /nfs/dbraw/zinc/89/93/93/579899393.db2.gz HPLUTTVNVIWLKO-SJORKVTESA-N 1 0 337.420 1.575 20 5 EDBDRO COC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000754513607 579904930 /nfs/dbraw/zinc/90/49/30/579904930.db2.gz GKGHFHYLQNHSCT-CQSZACIVSA-N 1 0 335.360 1.773 20 5 EDBDRO CC[NH+](CC)CCOCCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000756290671 579947452 /nfs/dbraw/zinc/94/74/52/579947452.db2.gz BHNIDGQDKAMVLJ-UHFFFAOYSA-N 1 0 338.408 1.574 20 5 EDBDRO CCN(CCO)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000769416074 580236367 /nfs/dbraw/zinc/23/63/67/580236367.db2.gz OXYOZVSACVLADE-UHFFFAOYSA-N 1 0 336.436 1.467 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)cc1 ZINC000769803307 580245478 /nfs/dbraw/zinc/24/54/78/580245478.db2.gz YVWUSFCOFHBXJQ-FGTMMUONSA-N 1 0 349.431 1.861 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000774537399 580364781 /nfs/dbraw/zinc/36/47/81/580364781.db2.gz SWMDCEYXRNHSIN-KBPBESRZSA-N 1 0 338.433 1.436 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000776591593 580422999 /nfs/dbraw/zinc/42/29/99/580422999.db2.gz KRULYUVTOBAGQI-YOEHRIQHSA-N 1 0 335.404 1.282 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H]2C)cc([N+](=O)[O-])c1F ZINC000780867045 580535978 /nfs/dbraw/zinc/53/59/78/580535978.db2.gz JGKBTYCAIYHYMY-NSHDSACASA-N 1 0 345.396 1.805 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CC1 ZINC000781956453 580561327 /nfs/dbraw/zinc/56/13/27/580561327.db2.gz UHIXXFQFCNSWAT-JKSUJKDBSA-N 1 0 346.387 1.544 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000891345501 591051465 /nfs/dbraw/zinc/05/14/65/591051465.db2.gz WJOKKEVHFHCCFZ-ZDUSSCGKSA-N 1 0 329.360 1.789 20 5 EDBDRO Cn1c(=O)c([N+](=O)[O-])c(N2CC[C@H]([NH+]3CC=CC3)C2)c2ccccc21 ZINC000892678490 591126136 /nfs/dbraw/zinc/12/61/36/591126136.db2.gz ATAWFWKLFOMZQI-ZDUSSCGKSA-N 1 0 340.383 1.897 20 5 EDBDRO Cn1c2ccccc2c(N2CCC[C@@H]2C[NH+](C)C)c([N+](=O)[O-])c1=O ZINC000892884763 591215137 /nfs/dbraw/zinc/21/51/37/591215137.db2.gz NSFIYBVTIAUJHY-GFCCVEGCSA-N 1 0 330.388 1.977 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000892929303 591228938 /nfs/dbraw/zinc/22/89/38/591228938.db2.gz GKUYNXQIQHWASO-JKSUJKDBSA-N 1 0 348.403 1.852 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3C[C@@H]4COC[C@@H]4O3)CC2)cn1 ZINC000896858463 591637783 /nfs/dbraw/zinc/63/77/83/591637783.db2.gz KFTUPUZNMZGBHC-KCXAZCMYSA-N 1 0 348.403 1.352 20 5 EDBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000895278192 591698993 /nfs/dbraw/zinc/69/89/93/591698993.db2.gz PYQFQBHTPACETM-GFCCVEGCSA-N 1 0 329.360 1.679 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCC[N@@H+]4CCSC[C@@H]34)nn21 ZINC000895566308 591807094 /nfs/dbraw/zinc/80/70/94/591807094.db2.gz JAWQEAKTYNVZCZ-MNOVXSKESA-N 1 0 334.405 1.629 20 5 EDBDRO O=c1c(Br)cc([N+](=O)[O-])cn1C[C@@H]1CCCC[NH2+]C1 ZINC000899630907 591879769 /nfs/dbraw/zinc/87/97/69/591879769.db2.gz VXVMKMHCWMLYTE-SECBINFHSA-N 1 0 330.182 1.909 20 5 EDBDRO C[NH+]1CCN(CCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900043960 591881183 /nfs/dbraw/zinc/88/11/83/591881183.db2.gz XWBKOPHFXQJANZ-UHFFFAOYSA-N 1 0 344.774 1.365 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3COC[C@@H]3C3CC3)CC2)cn1 ZINC000898377249 591899072 /nfs/dbraw/zinc/89/90/72/591899072.db2.gz SVFGAWKHWFLIOQ-CVEARBPZSA-N 1 0 332.404 1.973 20 5 EDBDRO CC(C)NC(=O)c1ccc(N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000900397035 592007174 /nfs/dbraw/zinc/00/71/74/592007174.db2.gz YSCAFKIVRLTFHF-UONOGXRCSA-N 1 0 332.404 1.779 20 5 EDBDRO O=[N+]([O-])c1c(N2CC[NH2+]CCC23CCOCC3)nc2ccccn21 ZINC000900423217 592014828 /nfs/dbraw/zinc/01/48/28/592014828.db2.gz UOHWVYIVGLGPON-UHFFFAOYSA-N 1 0 331.376 1.591 20 5 EDBDRO COC[C@H]1C[NH2+]CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000900450364 592021090 /nfs/dbraw/zinc/02/10/90/592021090.db2.gz MWAYPMCGRFVPFX-SECBINFHSA-N 1 0 331.170 1.177 20 5 EDBDRO C[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000900805175 592129571 /nfs/dbraw/zinc/12/95/71/592129571.db2.gz OOANVXYXRWYFON-XKXJNNQUSA-N 1 0 332.404 1.359 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000900809871 592143115 /nfs/dbraw/zinc/14/31/15/592143115.db2.gz DZDJDJZYLBEQSY-ZWNOBZJWSA-N 1 0 340.811 1.612 20 5 EDBDRO CC(C)[NH+]1CCN(CCC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000900859118 592149350 /nfs/dbraw/zinc/14/93/50/592149350.db2.gz WSTQCEVSONBRFN-UHFFFAOYSA-N 1 0 348.447 1.670 20 5 EDBDRO C[C@H]([NH2+]C[C@]1(CO)COCCN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903276741 592149576 /nfs/dbraw/zinc/14/95/76/592149576.db2.gz BOWIFOAKKSBEQA-NHYWBVRUSA-N 1 0 327.356 1.078 20 5 EDBDRO CN1C[C@@H](O)C[C@@]1(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000901017022 592198229 /nfs/dbraw/zinc/19/82/29/592198229.db2.gz ORQFNCCURQMQRZ-FZMZJTMJSA-N 1 0 327.768 1.320 20 5 EDBDRO O=C1C[C@@H]([NH2+]CC[N+](=O)[O-])CN1Cc1ccccc1C(F)(F)F ZINC000905213647 592469103 /nfs/dbraw/zinc/46/91/03/592469103.db2.gz DXXAVGFWBDPJTP-LLVKDONJSA-N 1 0 331.294 1.673 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC000908497093 592510186 /nfs/dbraw/zinc/51/01/86/592510186.db2.gz YFAUVSMKTWJZNR-UHFFFAOYSA-N 1 0 335.408 1.713 20 5 EDBDRO C[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC12CCCCC2 ZINC000908573450 592544769 /nfs/dbraw/zinc/54/47/69/592544769.db2.gz KWBZDHYVAAWIAS-UHFFFAOYSA-N 1 0 348.403 1.233 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCCc3ccccc3C2)c1 ZINC000905655519 592597751 /nfs/dbraw/zinc/59/77/51/592597751.db2.gz NXABZAMJERXUQM-DOTOQJQBSA-N 1 0 330.388 1.689 20 5 EDBDRO [NH3+][C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@H]1C(F)(F)F ZINC000905711432 592619937 /nfs/dbraw/zinc/61/99/37/592619937.db2.gz XTCKLMCKNNYHDY-RNFRBKRXSA-N 1 0 333.295 1.925 20 5 EDBDRO C[NH2+]C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000905715456 592621417 /nfs/dbraw/zinc/62/14/17/592621417.db2.gz HAACKNQESSGCSJ-LBPRGKRZSA-N 1 0 327.406 1.577 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000906635249 592863692 /nfs/dbraw/zinc/86/36/92/592863692.db2.gz WJSFJCGFFYSODD-ZIAGYGMSSA-N 1 0 335.408 1.480 20 5 EDBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000911869599 593024527 /nfs/dbraw/zinc/02/45/27/593024527.db2.gz YBPYIAXRKWVJER-OAHLLOKOSA-N 1 0 343.387 1.664 20 5 EDBDRO CC[C@H]1C[N@H+](C)CCN1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000840090809 593165073 /nfs/dbraw/zinc/16/50/73/593165073.db2.gz HKMRLEZQIVQDDP-AWEZNQCLSA-N 1 0 347.419 1.820 20 5 EDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000807989836 593214432 /nfs/dbraw/zinc/21/44/32/593214432.db2.gz YDJBCULHGQEVBE-JTQLQIEISA-N 1 0 342.371 1.139 20 5 EDBDRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000802140539 593223387 /nfs/dbraw/zinc/22/33/87/593223387.db2.gz PJZMBEAXKVORNJ-CYBMUJFWSA-N 1 0 340.380 1.179 20 5 EDBDRO CC(C)S(=O)(=O)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000808726096 593282966 /nfs/dbraw/zinc/28/29/66/593282966.db2.gz PIVQKVOCWARPIH-OLZOCXBDSA-N 1 0 344.437 1.688 20 5 EDBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000811600693 593475001 /nfs/dbraw/zinc/47/50/01/593475001.db2.gz KTLKFAHSCLKUCS-NSHDSACASA-N 1 0 327.356 1.958 20 5 EDBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3S(C)(=O)=O)C2)C1 ZINC000813634061 593544707 /nfs/dbraw/zinc/54/47/07/593544707.db2.gz BRTNNIXUFXLYEB-OAHLLOKOSA-N 1 0 339.417 1.530 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000813740042 593552592 /nfs/dbraw/zinc/55/25/92/593552592.db2.gz XNJOCEMCWJAAOU-BXKDBHETSA-N 1 0 345.808 1.573 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC(C)(C)CC[NH3+])c1 ZINC000817862373 593641970 /nfs/dbraw/zinc/64/19/70/593641970.db2.gz WFRUPSYZHBSMAM-UHFFFAOYSA-N 1 0 335.813 1.962 20 5 EDBDRO C[C@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625338 593644686 /nfs/dbraw/zinc/64/46/86/593644686.db2.gz AUVGZDZBLGNPLZ-UWVGGRQHSA-N 1 0 327.406 1.793 20 5 EDBDRO Cc1c(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818015659 593657398 /nfs/dbraw/zinc/65/73/98/593657398.db2.gz YFSKXZJDEDTUSI-HNNXBMFYSA-N 1 0 334.332 1.780 20 5 EDBDRO C[C@H]1C[N@H+](CCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000819264906 593747619 /nfs/dbraw/zinc/74/76/19/593747619.db2.gz IFUVQBGEJDFYDM-WMLDXEAASA-N 1 0 337.420 1.719 20 5 EDBDRO COCCC[N@H+](C)CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821687919 593914527 /nfs/dbraw/zinc/91/45/27/593914527.db2.gz VTKKEAUYVMSCRE-UHFFFAOYSA-N 1 0 335.368 1.155 20 5 EDBDRO C[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000823259055 594177137 /nfs/dbraw/zinc/17/71/37/594177137.db2.gz JRGWAVNFXTUPTH-ONGXEEELSA-N 1 0 341.331 1.691 20 5 EDBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCC[N@H+]1CC[C@@H](O)C1 ZINC000827536957 594227240 /nfs/dbraw/zinc/22/72/40/594227240.db2.gz YZFPYBQRYOUIFM-LLVKDONJSA-N 1 0 341.795 1.364 20 5 EDBDRO CCC[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000827589121 594239365 /nfs/dbraw/zinc/23/93/65/594239365.db2.gz ZAZJBLMVWSPSNW-CQSZACIVSA-N 1 0 329.441 1.781 20 5 EDBDRO Cc1cc(Cl)c(C(=O)NCCOCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000827887982 594297810 /nfs/dbraw/zinc/29/78/10/594297810.db2.gz QLLHXXBMOGIVDH-UHFFFAOYSA-N 1 0 329.784 1.865 20 5 EDBDRO COCC[N@H+]1[C@H](C)CN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000826633476 594544024 /nfs/dbraw/zinc/54/40/24/594544024.db2.gz RICRGLKLAKMXIV-TXEJJXNPSA-N 1 0 336.392 1.239 20 5 EDBDRO CCO[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)C[NH+](C)C ZINC000831777326 594702281 /nfs/dbraw/zinc/70/22/81/594702281.db2.gz WYOFQBLQYQONTJ-NSHDSACASA-N 1 0 329.784 1.945 20 5 EDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832529570 594756662 /nfs/dbraw/zinc/75/66/62/594756662.db2.gz HTOXNCFXVHIIQZ-DAXOMENPSA-N 1 0 333.388 1.713 20 5 EDBDRO O=C(NCCN1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841103675 594851465 /nfs/dbraw/zinc/85/14/65/594851465.db2.gz RPQKLAIQUXUTPG-UHFFFAOYSA-N 1 0 327.772 1.275 20 5 EDBDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000841164817 594861676 /nfs/dbraw/zinc/86/16/76/594861676.db2.gz XBZBGXWKVHQZCF-JTQLQIEISA-N 1 0 340.767 1.397 20 5 EDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000842011618 595002314 /nfs/dbraw/zinc/00/23/14/595002314.db2.gz VDUWCWZBWQJLIK-UONOGXRCSA-N 1 0 347.419 1.554 20 5 EDBDRO CN(CCC[NH3+])C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843348223 595081844 /nfs/dbraw/zinc/08/18/44/595081844.db2.gz GDURXENVWBHHOS-UHFFFAOYSA-N 1 0 334.145 1.917 20 5 EDBDRO C[C@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000843353468 595084690 /nfs/dbraw/zinc/08/46/90/595084690.db2.gz JIOUSHDNUUYEHV-CABZTGNLSA-N 1 0 326.784 1.856 20 5 EDBDRO [NH3+]C[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000842479786 595116386 /nfs/dbraw/zinc/11/63/86/595116386.db2.gz YKMGXZBCJPJMEE-NSHDSACASA-N 1 0 342.783 1.236 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843455313 595116476 /nfs/dbraw/zinc/11/64/76/595116476.db2.gz CBCBXZLGQIYMKV-UHFFFAOYSA-N 1 0 345.359 1.977 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842484659 595120064 /nfs/dbraw/zinc/12/00/64/595120064.db2.gz CNWFEJZIRMKVPM-ZDUSSCGKSA-N 1 0 329.353 1.251 20 5 EDBDRO O=C(CO[C@@H]1CCC[NH2+]C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000843485041 595125870 /nfs/dbraw/zinc/12/58/70/595125870.db2.gz GXVSGTYOQRGBIX-MRXNPFEDSA-N 1 0 333.388 1.854 20 5 EDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000834469694 595133200 /nfs/dbraw/zinc/13/32/00/595133200.db2.gz NCMNSBCZHBWNMU-AWEZNQCLSA-N 1 0 331.376 1.545 20 5 EDBDRO CN(C1CC([NH3+])C1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000842888043 595226160 /nfs/dbraw/zinc/22/61/60/595226160.db2.gz ZPXUGEKHUNLGQV-UHFFFAOYSA-N 1 0 336.373 1.253 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000842886822 595226348 /nfs/dbraw/zinc/22/63/48/595226348.db2.gz NKARSHDHKJUKJK-UHFFFAOYSA-N 1 0 333.797 1.667 20 5 EDBDRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843103562 595287600 /nfs/dbraw/zinc/28/76/00/595287600.db2.gz BKQCQWYGCHEGCJ-AEGPPILISA-N 1 0 326.393 1.376 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc([N+](=O)[O-])c1F ZINC000846698186 595303722 /nfs/dbraw/zinc/30/37/22/595303722.db2.gz BDEDTNDYMMVTPG-ZJUUUORDSA-N 1 0 331.369 1.543 20 5 EDBDRO C[C@H]1C[C@@H]([NH3+])CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000846704008 595304615 /nfs/dbraw/zinc/30/46/15/595304615.db2.gz BUDTXAPKKVWRQV-UWVGGRQHSA-N 1 0 326.784 1.998 20 5 EDBDRO C[C@H]1C[C@H]([NH3+])CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000846704010 595304667 /nfs/dbraw/zinc/30/46/67/595304667.db2.gz BUDTXAPKKVWRQV-VHSXEESVSA-N 1 0 326.784 1.998 20 5 EDBDRO O=C(NCC[NH+]1CCCC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848579925 595407788 /nfs/dbraw/zinc/40/77/88/595407788.db2.gz RPBHKRGTLDKEOR-UHFFFAOYSA-N 1 0 329.303 1.778 20 5 EDBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000848940788 595472038 /nfs/dbraw/zinc/47/20/38/595472038.db2.gz VPEWBSUWJGYIIV-IUODEOHRSA-N 1 0 348.403 1.383 20 5 EDBDRO C[N@@H+]1CC[C@H](CCOC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000847826660 595488926 /nfs/dbraw/zinc/48/89/26/595488926.db2.gz IGWNQFCTAXQTBN-GFCCVEGCSA-N 1 0 345.359 1.674 20 5 EDBDRO C[N@@H+]1CC[C@H](CCOC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000847830490 595489643 /nfs/dbraw/zinc/48/96/43/595489643.db2.gz RFLLBCUHIOCKJI-CYBMUJFWSA-N 1 0 349.387 1.600 20 5 EDBDRO COCC[NH+]1CCC(OC(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000847882133 595495925 /nfs/dbraw/zinc/49/59/25/595495925.db2.gz YXYFKJMJBLUBCO-UHFFFAOYSA-N 1 0 338.360 1.871 20 5 EDBDRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000850628106 595562766 /nfs/dbraw/zinc/56/27/66/595562766.db2.gz IUNSKALJXBPUDG-UHFFFAOYSA-N 1 0 340.767 1.207 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766767 595600901 /nfs/dbraw/zinc/60/09/01/595600901.db2.gz SCWGBIXQXJQGRM-CABZTGNLSA-N 1 0 329.303 1.681 20 5 EDBDRO CCOCC[NH+]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000111164769 595706757 /nfs/dbraw/zinc/70/67/57/595706757.db2.gz NFPGDKYRVOQUQO-UHFFFAOYSA-N 1 0 333.392 1.556 20 5 EDBDRO O=[N+]([O-])c1c(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)nc2ccccn21 ZINC000853966734 595936492 /nfs/dbraw/zinc/93/64/92/595936492.db2.gz YFCAVHHTLWWRIT-ZDUSSCGKSA-N 1 0 331.376 1.278 20 5 EDBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000856429194 595988610 /nfs/dbraw/zinc/98/86/10/595988610.db2.gz DWVHPGMBCNKGBP-CYBMUJFWSA-N 1 0 339.367 1.917 20 5 EDBDRO O=C(CC[N@@H+]1CCn2cncc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000852066910 596031081 /nfs/dbraw/zinc/03/10/81/596031081.db2.gz VHXCWOLFEPHXML-UHFFFAOYSA-N 1 0 333.323 1.775 20 5 EDBDRO Cc1cc(F)cc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c1[N+](=O)[O-] ZINC000854352950 596047826 /nfs/dbraw/zinc/04/78/26/596047826.db2.gz NXJJSLYHVDDXDG-CYBMUJFWSA-N 1 0 336.367 1.162 20 5 EDBDRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C2 ZINC000857234415 596193821 /nfs/dbraw/zinc/19/38/21/596193821.db2.gz KFORFUBWXHQMBA-NOZJJQNGSA-N 1 0 329.353 1.236 20 5 EDBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000852558669 596197467 /nfs/dbraw/zinc/19/74/67/596197467.db2.gz JQQKYFLULDSOMA-QMTHXVAHSA-N 1 0 325.340 1.908 20 5 EDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000866523515 596241061 /nfs/dbraw/zinc/24/10/61/596241061.db2.gz DRIMVJVATLLBNT-CXAGYDPISA-N 1 0 349.387 1.727 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000123294031 596336884 /nfs/dbraw/zinc/33/68/84/596336884.db2.gz DKWAFKLCQPLRQZ-UHFFFAOYSA-N 1 0 327.356 1.740 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866827432 596368808 /nfs/dbraw/zinc/36/88/08/596368808.db2.gz MPZHFAKPMMDJRL-GHMZBOCLSA-N 1 0 329.353 1.249 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[N@@H+](C)C(C)(C)CC2)c(C)c1[N+](=O)[O-] ZINC000871153025 596480877 /nfs/dbraw/zinc/48/08/77/596480877.db2.gz CSYDPPHGQRXMJG-UHFFFAOYSA-N 1 0 337.424 1.741 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC[C@H]21 ZINC000867812077 596563531 /nfs/dbraw/zinc/56/35/31/596563531.db2.gz HWSINJPEBUBXDU-VHSXEESVSA-N 1 0 331.419 1.371 20 5 EDBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)cc1 ZINC000865451600 596579175 /nfs/dbraw/zinc/57/91/75/596579175.db2.gz SYOINVFLRSQVJQ-INIZCTEOSA-N 1 0 331.376 1.698 20 5 EDBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000867974832 596641071 /nfs/dbraw/zinc/64/10/71/596641071.db2.gz WOOPLQGJMPNDJA-XCRHUMRWSA-N 1 0 346.431 1.711 20 5 EDBDRO C[C@]1([NH3+])CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000868079051 596678560 /nfs/dbraw/zinc/67/85/60/596678560.db2.gz USFSLZBJORZFTR-ZDUSSCGKSA-N 1 0 342.193 1.850 20 5 EDBDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000119846311 596757099 /nfs/dbraw/zinc/75/70/99/596757099.db2.gz UWPHVGCFRRFHNQ-NXEZZACHSA-N 1 0 333.435 1.760 20 5 EDBDRO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000866206000 596826664 /nfs/dbraw/zinc/82/66/64/596826664.db2.gz PXHAXXKYABGXKW-WCQYABFASA-N 1 0 334.376 1.697 20 5 EDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCN1CCOCC1 ZINC000866213675 596829908 /nfs/dbraw/zinc/82/99/08/596829908.db2.gz ZXQCJYAWHAFSEU-CYBMUJFWSA-N 1 0 325.384 1.977 20 5 EDBDRO C[NH+](C)CCCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864416421 596887254 /nfs/dbraw/zinc/88/72/54/596887254.db2.gz UVDBVDQEWKTNHK-UHFFFAOYSA-N 1 0 344.209 1.968 20 5 EDBDRO CC(C)[C@H]1CN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC[N@@H+]1C ZINC000872737731 597053611 /nfs/dbraw/zinc/05/36/11/597053611.db2.gz RRRZJACTXBSNNQ-CYBMUJFWSA-N 1 0 334.376 1.732 20 5 EDBDRO Cc1c(C[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cccc1[N+](=O)[O-] ZINC000873064962 597177756 /nfs/dbraw/zinc/17/77/56/597177756.db2.gz BRJSXIDTFABSNT-NHYWBVRUSA-N 1 0 343.387 1.920 20 5 EDBDRO CC[C@@H]1COCCN1CC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000873188451 597222201 /nfs/dbraw/zinc/22/22/01/597222201.db2.gz GXUSIIBGGWEYCC-CYBMUJFWSA-N 1 0 339.392 1.509 20 5 EDBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877282568 597486123 /nfs/dbraw/zinc/48/61/23/597486123.db2.gz RNMKPVXYGNOMLC-GOEBONIOSA-N 1 0 341.371 1.747 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877345906 597497278 /nfs/dbraw/zinc/49/72/78/597497278.db2.gz CREDTJVSXDRRSH-OAHLLOKOSA-N 1 0 341.367 1.804 20 5 EDBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877345707 597497334 /nfs/dbraw/zinc/49/73/34/597497334.db2.gz AHXABWXKOXNXJN-INIZCTEOSA-N 1 0 325.368 1.968 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1OC ZINC000877377831 597505074 /nfs/dbraw/zinc/50/50/74/597505074.db2.gz AFCRJBUYAILAAO-APPDUMDISA-N 1 0 349.387 1.684 20 5 EDBDRO C[NH+]1CCC(NC(=O)CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000878201504 597586564 /nfs/dbraw/zinc/58/65/64/597586564.db2.gz BIJZNWQMZJFWKD-UHFFFAOYSA-N 1 0 346.431 1.770 20 5 EDBDRO COc1ccc([C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)CC[NH2+]2)cc1 ZINC000879521730 597615972 /nfs/dbraw/zinc/61/59/72/597615972.db2.gz QSXUOFPRRSXOKU-INIZCTEOSA-N 1 0 331.376 1.446 20 5 EDBDRO C[NH+]1CCN(c2ccc(CNc3ccnc(F)c3[N+](=O)[O-])cn2)CC1 ZINC000881785331 597722804 /nfs/dbraw/zinc/72/28/04/597722804.db2.gz FOTLQIHNSWOSFN-UHFFFAOYSA-N 1 0 346.366 1.888 20 5 EDBDRO CCN1CC[NH+](C[C@@H](C)CNc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881821716 597740268 /nfs/dbraw/zinc/74/02/68/597740268.db2.gz LAVAAQSHLJYRGS-LBPRGKRZSA-N 1 0 325.388 1.814 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000879245260 597863741 /nfs/dbraw/zinc/86/37/41/597863741.db2.gz XCAWDLOLTLDQKC-AEFFLSMTSA-N 1 0 343.383 1.955 20 5 EDBDRO C[C@@H]1CN(c2ccnc(F)c2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000882145410 597880935 /nfs/dbraw/zinc/88/09/35/597880935.db2.gz OFOMMMJNMBAWSW-CHWSQXEVSA-N 1 0 337.399 1.591 20 5 EDBDRO CO[C@@H]1COCC[C@H]1[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000880423888 597927831 /nfs/dbraw/zinc/92/78/31/597927831.db2.gz GEEREDYUUSHDMT-NUEKZKHPSA-N 1 0 340.376 1.070 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCCO2)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884038570 597974968 /nfs/dbraw/zinc/97/49/68/597974968.db2.gz MUKLWSGLTMBPJT-NEPJUHHUSA-N 1 0 347.371 1.723 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000917654065 697059335 /nfs/dbraw/zinc/05/93/35/697059335.db2.gz UQBNVJJBNFKUBM-QWRGUYRKSA-N 1 0 343.380 1.639 20 5 EDBDRO O=C(NCC1CN(Cc2cccc([N+](=O)[O-])c2)C1)c1cscn1 ZINC001031574085 697269350 /nfs/dbraw/zinc/26/93/50/697269350.db2.gz IEYFUUYKVDXNNV-UHFFFAOYSA-N 1 0 332.385 1.913 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2(C[NH3+])CCCC2)cc1C ZINC000237666482 698278093 /nfs/dbraw/zinc/27/80/93/698278093.db2.gz DGTMFTPSZLUZCZ-UHFFFAOYSA-N 1 0 327.406 1.761 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]1(CO)COCCN1C ZINC000922532939 703934037 /nfs/dbraw/zinc/93/40/37/703934037.db2.gz KVSYGGCHMXRCPZ-LEHPZIBWSA-N 1 0 335.404 1.281 20 5 EDBDRO Cc1nonc1C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001004263139 704100281 /nfs/dbraw/zinc/10/02/81/704100281.db2.gz HFNFTEAZNBBGHQ-UHFFFAOYSA-N 1 0 345.359 1.681 20 5 EDBDRO C[C@@H](NC(=O)NCC[N@@H+]1CCCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000922608361 704127373 /nfs/dbraw/zinc/12/73/73/704127373.db2.gz RUDSSAICLBEVGZ-CYBMUJFWSA-N 1 0 336.392 1.677 20 5 EDBDRO O=C(c1cnon1)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000998160118 705441446 /nfs/dbraw/zinc/44/14/46/705441446.db2.gz DZOCWOJXRPVXCA-UHFFFAOYSA-N 1 0 345.359 1.620 20 5 EDBDRO COc1ccnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001034642984 710319065 /nfs/dbraw/zinc/31/90/65/710319065.db2.gz IMYMKIJDZQXBHU-CZPYZCIJSA-N 1 0 348.403 1.272 20 5 EDBDRO CCc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001034643707 710319781 /nfs/dbraw/zinc/31/97/81/710319781.db2.gz RMVVVPKNHXZOFU-RGCMKSIDSA-N 1 0 336.392 1.419 20 5 EDBDRO Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)sn1 ZINC001034644451 710320317 /nfs/dbraw/zinc/32/03/17/710320317.db2.gz GZXPHGXUXGOZTR-HBJVGIJOSA-N 1 0 338.433 1.634 20 5 EDBDRO CC(C)(C(=O)N1CCC(C)([NH+]2CCC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000922175933 710345876 /nfs/dbraw/zinc/34/58/76/710345876.db2.gz YFUDVAQAMYMAIF-UHFFFAOYSA-N 1 0 335.408 1.613 20 5 EDBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1cnon1 ZINC001003820902 710611557 /nfs/dbraw/zinc/61/15/57/710611557.db2.gz UMWVBZCRUPZATI-UHFFFAOYSA-N 1 0 331.332 1.372 20 5 EDBDRO O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412204467 303983371 /nfs/dbraw/zinc/98/33/71/303983371.db2.gz XBRFMZMQHASEAA-DLBZAZTESA-N 1 0 347.415 1.519 20 5 EDBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000560741909 306278357 /nfs/dbraw/zinc/27/83/57/306278357.db2.gz SXUZBVIUYUIJEO-LBPRGKRZSA-N 1 0 335.408 1.978 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2ccc(F)c(F)c2)c1 ZINC000563003008 306315734 /nfs/dbraw/zinc/31/57/34/306315734.db2.gz NHVHNGKSBDULJM-LBPRGKRZSA-N 1 0 326.303 1.263 20 5 EDBDRO C[N@@H+]1CC[C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)[C@H]1c1cccs1 ZINC000369572697 283042025 /nfs/dbraw/zinc/04/20/25/283042025.db2.gz BFUPYGFIMDZPPN-NHYWBVRUSA-N 1 0 349.416 1.662 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2ccncc2)cc1 ZINC000006970883 138094855 /nfs/dbraw/zinc/09/48/55/138094855.db2.gz NAYZIRVBUKEUJS-UHFFFAOYSA-N 1 0 336.373 1.058 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(CO)CC1 ZINC000076991776 138250953 /nfs/dbraw/zinc/25/09/53/138250953.db2.gz GMXKONLDVGQYRD-UHFFFAOYSA-N 1 0 337.376 1.636 20 5 EDBDRO Cc1nn(C)c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000098094537 138297640 /nfs/dbraw/zinc/29/76/40/138297640.db2.gz BFNBVWUXMHVPBH-CYBMUJFWSA-N 1 0 331.376 1.669 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)n1 ZINC000563620919 306342601 /nfs/dbraw/zinc/34/26/01/306342601.db2.gz RKMCFAATUKXDMR-ZETCQYMHSA-N 1 0 336.377 1.336 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[N@H+](C)CC2(C)C)c1F ZINC000413665101 304072344 /nfs/dbraw/zinc/07/23/44/304072344.db2.gz FJHBCWNBIULMQN-UHFFFAOYSA-N 1 0 339.367 1.838 20 5 EDBDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176217466 138705889 /nfs/dbraw/zinc/70/58/89/138705889.db2.gz GQENTZHEMPHFDF-UONOGXRCSA-N 1 0 337.424 1.808 20 5 EDBDRO C[NH+](C)C1CCN(CCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000177124930 138723107 /nfs/dbraw/zinc/72/31/07/138723107.db2.gz GPUKSQWTXJEBKR-BQYQJAHWSA-N 1 0 346.431 1.750 20 5 EDBDRO CCCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CC[NH2+]C1 ZINC000178912690 138747627 /nfs/dbraw/zinc/74/76/27/138747627.db2.gz VDNPLBNTWHAKCT-HNNXBMFYSA-N 1 0 343.387 1.995 20 5 EDBDRO O=C(CC[NH2+]C[C@@H]1CCCS1(=O)=O)Nc1ccccc1[N+](=O)[O-] ZINC000564650809 306361973 /nfs/dbraw/zinc/36/19/73/306361973.db2.gz DMHWFNCJKXDHDK-NSHDSACASA-N 1 0 341.389 1.090 20 5 EDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000262779656 291194773 /nfs/dbraw/zinc/19/47/73/291194773.db2.gz OMTDPLFVYUNNCT-BDAKNGLRSA-N 1 0 333.797 1.619 20 5 EDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H]1C ZINC000262771357 291194827 /nfs/dbraw/zinc/19/48/27/291194827.db2.gz MFNZOVLITUZHMJ-BDAKNGLRSA-N 1 0 333.797 1.619 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC2(CO)CCCC2)cc1 ZINC000565304123 306381297 /nfs/dbraw/zinc/38/12/97/306381297.db2.gz OFUCVBKVEKZDBW-UHFFFAOYSA-N 1 0 342.417 1.511 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000131497605 223240641 /nfs/dbraw/zinc/24/06/41/223240641.db2.gz FSCYERPSNKUOPI-OAHLLOKOSA-N 1 0 335.404 1.870 20 5 EDBDRO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000041604113 201094021 /nfs/dbraw/zinc/09/40/21/201094021.db2.gz MRSUZYDRCKGHHO-LBPRGKRZSA-N 1 0 336.392 1.688 20 5 EDBDRO Cc1c(NC(=O)C(=O)NCCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000049275417 201112964 /nfs/dbraw/zinc/11/29/64/201112964.db2.gz CSGKGHFPMBYXGR-UHFFFAOYSA-N 1 0 334.376 1.444 20 5 EDBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)Cn2ccnn2)cc1[N+](=O)[O-] ZINC000414201252 304105708 /nfs/dbraw/zinc/10/57/08/304105708.db2.gz XWMLGHIAFFKXDZ-YPMHNXCESA-N 1 0 335.364 1.297 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1F ZINC000154313846 201396292 /nfs/dbraw/zinc/39/62/92/201396292.db2.gz MEXAYPKUAQWXIV-LLVKDONJSA-N 1 0 345.396 1.757 20 5 EDBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc([N+](=O)[O-])c1F ZINC000092992324 203089310 /nfs/dbraw/zinc/08/93/10/203089310.db2.gz RMKSWCTZEHYHJF-SNVBAGLBSA-N 1 0 345.396 1.803 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](CCO)[C@H]2CCc3ccccc32)c1 ZINC000072632219 203239016 /nfs/dbraw/zinc/23/90/16/203239016.db2.gz LYZVLNFKJKUIRE-RDJZCZTQSA-N 1 0 346.387 1.134 20 5 EDBDRO CC[C@H](CO)[NH+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075962632 203329220 /nfs/dbraw/zinc/32/92/20/203329220.db2.gz FQZMLASPPHFZRQ-OAHLLOKOSA-N 1 0 337.420 1.752 20 5 EDBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000076645683 203360509 /nfs/dbraw/zinc/36/05/09/203360509.db2.gz MGERBEAWAAEYNQ-ZDUSSCGKSA-N 1 0 348.403 1.724 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000076668122 203361506 /nfs/dbraw/zinc/36/15/06/203361506.db2.gz JZHDAGSFIKOGRE-AWEZNQCLSA-N 1 0 348.403 1.784 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000192921996 138957057 /nfs/dbraw/zinc/95/70/57/138957057.db2.gz MMDDPXGHLMUYSJ-UHFFFAOYSA-N 1 0 346.431 1.757 20 5 EDBDRO CNC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000111268052 204345559 /nfs/dbraw/zinc/34/55/59/204345559.db2.gz HDWIOKXSWQJSJD-GFCCVEGCSA-N 1 0 334.376 1.381 20 5 EDBDRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000111353041 204352291 /nfs/dbraw/zinc/35/22/91/204352291.db2.gz CHEJGNHYBKNQGS-GFCCVEGCSA-N 1 0 327.406 1.748 20 5 EDBDRO [NH3+][C@H]1CCCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 ZINC000195114442 139007365 /nfs/dbraw/zinc/00/73/65/139007365.db2.gz XCMYVICHGRGGDX-NSHDSACASA-N 1 0 348.359 1.233 20 5 EDBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000236748251 139030363 /nfs/dbraw/zinc/03/03/63/139030363.db2.gz VYPVSEHMJFPFSW-SNVBAGLBSA-N 1 0 331.394 1.399 20 5 EDBDRO COc1cc(OCC(=O)N[C@H](C[NH3+])CC(C)C)ccc1[N+](=O)[O-] ZINC000237087371 139040225 /nfs/dbraw/zinc/04/02/25/139040225.db2.gz AOTSQAKWPOUXET-NSHDSACASA-N 1 0 325.365 1.472 20 5 EDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000155247064 205004365 /nfs/dbraw/zinc/00/43/65/205004365.db2.gz OPHXKXLHAGRBRP-NXEZZACHSA-N 1 0 327.768 1.836 20 5 EDBDRO C[C@@H]1C[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000126257903 205048495 /nfs/dbraw/zinc/04/84/95/205048495.db2.gz XPYUMLFKJLWMLN-DGCLKSJQSA-N 1 0 339.417 1.639 20 5 EDBDRO C[C@@H](C[S@@](C)=O)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000126799491 205071909 /nfs/dbraw/zinc/07/19/09/205071909.db2.gz UTABSHMYANFDDK-IBILFNBTSA-N 1 0 330.406 1.033 20 5 EDBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)CC1 ZINC000128140377 205133581 /nfs/dbraw/zinc/13/35/81/205133581.db2.gz SOQOPFCOUPWZOL-CYBMUJFWSA-N 1 0 335.408 1.902 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000269202671 296190318 /nfs/dbraw/zinc/19/03/18/296190318.db2.gz XPCXMONYUNDSHI-MNOVXSKESA-N 1 0 333.344 1.333 20 5 EDBDRO CCS(=O)(=O)NCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130887930 205263515 /nfs/dbraw/zinc/26/35/15/205263515.db2.gz XGEXMURWDITDBD-UHFFFAOYSA-N 1 0 341.433 1.889 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000237851925 139061957 /nfs/dbraw/zinc/06/19/57/139061957.db2.gz RFGKSZHFTVVZDG-SNVBAGLBSA-N 1 0 347.824 1.916 20 5 EDBDRO Cc1cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc([N+](=O)[O-])c1F ZINC000237871498 139062567 /nfs/dbraw/zinc/06/25/67/139062567.db2.gz CIVHCTHMDVXFFS-ZACCUICWSA-N 1 0 343.380 1.604 20 5 EDBDRO [NH3+]C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000237908182 139063612 /nfs/dbraw/zinc/06/36/12/139063612.db2.gz UIUAHEZDTZOFIJ-NSHDSACASA-N 1 0 328.166 1.824 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000112079749 220239873 /nfs/dbraw/zinc/23/98/73/220239873.db2.gz QDLXNOUAUSGGFT-GFCCVEGCSA-N 1 0 335.408 1.002 20 5 EDBDRO O=C(CC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1)N1CCCC1 ZINC000157687093 206151032 /nfs/dbraw/zinc/15/10/32/206151032.db2.gz PGRKUDQUSFDUSD-UHFFFAOYSA-N 1 0 335.408 1.516 20 5 EDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000246160504 139097139 /nfs/dbraw/zinc/09/71/39/139097139.db2.gz LUTMTXDTQVXASQ-IUODEOHRSA-N 1 0 341.433 1.697 20 5 EDBDRO Cc1noc([C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000159773224 206263002 /nfs/dbraw/zinc/26/30/02/206263002.db2.gz POHQTIFDXWMOOW-LBPRGKRZSA-N 1 0 333.348 1.328 20 5 EDBDRO COc1cc(CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000248639069 139169668 /nfs/dbraw/zinc/16/96/68/139169668.db2.gz WMDZTVNIMGSJSS-RYUDHWBXSA-N 1 0 341.383 1.629 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]12 ZINC000248605249 139168781 /nfs/dbraw/zinc/16/87/81/139168781.db2.gz JVDAMOMIKJZBCI-BYCMXARLSA-N 1 0 341.371 1.590 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000248918117 139180660 /nfs/dbraw/zinc/18/06/60/139180660.db2.gz WICXLMNIWPCCDY-UKRRQHHQSA-N 1 0 343.387 1.428 20 5 EDBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249052019 139183903 /nfs/dbraw/zinc/18/39/03/139183903.db2.gz IHFHXXFROFWZGH-HUUCEWRRSA-N 1 0 326.397 1.025 20 5 EDBDRO Cc1c(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000172209617 206800422 /nfs/dbraw/zinc/80/04/22/206800422.db2.gz XWMGQYISEYWRKZ-NSHDSACASA-N 1 0 336.348 1.835 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000261680071 139217033 /nfs/dbraw/zinc/21/70/33/139217033.db2.gz MOGCJTWDXZGXQY-AWEZNQCLSA-N 1 0 327.344 1.388 20 5 EDBDRO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000261735694 139221831 /nfs/dbraw/zinc/22/18/31/139221831.db2.gz NFPMJCKUELHQDK-NSHDSACASA-N 1 0 340.811 1.535 20 5 EDBDRO O=C(NC[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261777684 139225252 /nfs/dbraw/zinc/22/52/52/139225252.db2.gz XOKMRKKUEXQIKJ-JSGCOSHPSA-N 1 0 333.392 1.074 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000261830846 139229698 /nfs/dbraw/zinc/22/96/98/139229698.db2.gz BHBNBTPFNLABBX-AWEZNQCLSA-N 1 0 327.406 1.571 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000415488301 304224041 /nfs/dbraw/zinc/22/40/41/304224041.db2.gz VGOIEJOXKKTFQF-CQSZACIVSA-N 1 0 347.419 1.723 20 5 EDBDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415490380 304224675 /nfs/dbraw/zinc/22/46/75/304224675.db2.gz CJSKYUCEMBBBTD-JTQLQIEISA-N 1 0 326.328 1.306 20 5 EDBDRO Cc1ccccc1OCC[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174695320 207046739 /nfs/dbraw/zinc/04/67/39/207046739.db2.gz LEBFSWAXEDDEKQ-OAHLLOKOSA-N 1 0 334.376 1.471 20 5 EDBDRO COc1ccc([C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000174704729 207047483 /nfs/dbraw/zinc/04/74/83/207047483.db2.gz BYASLXLABLUNSJ-DOTOQJQBSA-N 1 0 346.387 1.902 20 5 EDBDRO CCC[N@H+](CC)CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000174669676 207043363 /nfs/dbraw/zinc/04/33/63/207043363.db2.gz BKRFUGAYIWKXDJ-UHFFFAOYSA-N 1 0 346.391 1.637 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000415560367 251013004 /nfs/dbraw/zinc/01/30/04/251013004.db2.gz LLGRMDPQEIMWOI-QWRGUYRKSA-N 1 0 334.376 1.305 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC(C)(C)CCC[NH3+] ZINC000415761319 251021024 /nfs/dbraw/zinc/02/10/24/251021024.db2.gz NTGXXHCBDHFQFO-UHFFFAOYSA-N 1 0 336.392 1.729 20 5 EDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415818767 251029177 /nfs/dbraw/zinc/02/91/77/251029177.db2.gz VXKZSZRHOIMKJQ-PELKAZGASA-N 1 0 338.751 1.007 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000112511375 207085305 /nfs/dbraw/zinc/08/53/05/207085305.db2.gz STTUWXRNBUSXMT-MNOVXSKESA-N 1 0 343.405 1.351 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000175111549 207094419 /nfs/dbraw/zinc/09/44/19/207094419.db2.gz PWYQTRCYOPAZCV-ZDUSSCGKSA-N 1 0 341.433 1.926 20 5 EDBDRO COC(=O)CC1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000569345431 306504514 /nfs/dbraw/zinc/50/45/14/306504514.db2.gz QFTAIWGZZNPXKU-UHFFFAOYSA-N 1 0 337.332 1.227 20 5 EDBDRO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000262294831 139267512 /nfs/dbraw/zinc/26/75/12/139267512.db2.gz WMGZMIXYKIZBAP-CYBMUJFWSA-N 1 0 331.376 1.483 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000417171261 251144220 /nfs/dbraw/zinc/14/42/20/251144220.db2.gz DPUNDMASXVJUPD-JTQLQIEISA-N 1 0 332.307 1.385 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417170440 251145439 /nfs/dbraw/zinc/14/54/39/251145439.db2.gz CUAOUGHUOUYVRR-INIZCTEOSA-N 1 0 334.376 1.498 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000417203851 251146122 /nfs/dbraw/zinc/14/61/22/251146122.db2.gz ZKJYQGCFQMAWIX-RYUDHWBXSA-N 1 0 336.392 1.791 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000262548609 139285782 /nfs/dbraw/zinc/28/57/82/139285782.db2.gz SAAFMQUIIIPEQN-YPMHNXCESA-N 1 0 325.390 1.276 20 5 EDBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418580477 251378786 /nfs/dbraw/zinc/37/87/86/251378786.db2.gz XSBAEJPCNRXBHA-IAQYHMDHSA-N 1 0 334.376 1.508 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2(C)CC[NH2+]CC2)c1C ZINC000262586957 139288452 /nfs/dbraw/zinc/28/84/52/139288452.db2.gz ZVCGUYLUNCRZAF-UHFFFAOYSA-N 1 0 327.406 1.632 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177193698 207305437 /nfs/dbraw/zinc/30/54/37/207305437.db2.gz ZIWNDXCQIWACET-DGCLKSJQSA-N 1 0 347.371 1.528 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C)(O)CC1 ZINC000177314453 207319847 /nfs/dbraw/zinc/31/98/47/207319847.db2.gz UHPMIWFSRIVKOT-UHFFFAOYSA-N 1 0 337.376 1.779 20 5 EDBDRO COC(=O)c1cnc(NCc2ccc3c(c2)C[NH2+]C3)c([N+](=O)[O-])c1 ZINC000420243263 251654779 /nfs/dbraw/zinc/65/47/79/251654779.db2.gz WKOWXUWESPICBP-UHFFFAOYSA-N 1 0 328.328 1.992 20 5 EDBDRO CCC(CC)(C[NH3+])NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000422819138 251987611 /nfs/dbraw/zinc/98/76/11/251987611.db2.gz MKKVOZLNLJIPCA-UHFFFAOYSA-N 1 0 336.392 1.267 20 5 EDBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CNCCN1C ZINC000423509200 252056955 /nfs/dbraw/zinc/05/69/55/252056955.db2.gz IXGKWKDBTJCYOL-ZIAGYGMSSA-N 1 0 338.477 1.959 20 5 EDBDRO C[C@@H]1CC2(CN1C(=O)COc1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000424226394 252171198 /nfs/dbraw/zinc/17/11/98/252171198.db2.gz RTCXETLDNJEJTR-CYBMUJFWSA-N 1 0 333.388 1.964 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH2+]1 ZINC000262954572 139315019 /nfs/dbraw/zinc/31/50/19/139315019.db2.gz VUNTWRFLAQNFCP-NEPJUHHUSA-N 1 0 329.360 1.651 20 5 EDBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000364719372 285095001 /nfs/dbraw/zinc/09/50/01/285095001.db2.gz AXVBQCVUVKPSIO-UHFFFAOYSA-N 1 0 339.367 1.397 20 5 EDBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@H](CO)C[NH+]2CCCCC2)s1 ZINC000450518244 285100909 /nfs/dbraw/zinc/10/09/09/285100909.db2.gz INWDSMURKKQHKI-JTQLQIEISA-N 1 0 337.405 1.858 20 5 EDBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000112363958 220314251 /nfs/dbraw/zinc/31/42/51/220314251.db2.gz RNFDWYOQDMTLOD-UHFFFAOYSA-N 1 0 329.422 1.913 20 5 EDBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1CCn2ccnc2C1 ZINC000487458457 255030555 /nfs/dbraw/zinc/03/05/55/255030555.db2.gz BEAHUQQCSVPHJY-VIFPVBQESA-N 1 0 336.298 1.743 20 5 EDBDRO C[C@H]1CCCN1C(=O)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000489045767 255062712 /nfs/dbraw/zinc/06/27/12/255062712.db2.gz QMHUUFMUMVBEFU-ZDUSSCGKSA-N 1 0 335.408 1.829 20 5 EDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492954043 255188424 /nfs/dbraw/zinc/18/84/24/255188424.db2.gz IASCHDDTDOWPBY-WNFXYAGKSA-N 1 0 333.388 1.522 20 5 EDBDRO CN(CCN1CCOCC1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000263873060 139366279 /nfs/dbraw/zinc/36/62/79/139366279.db2.gz MYTSWXZHMCXSSF-UHFFFAOYSA-N 1 0 339.417 1.478 20 5 EDBDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000495492881 255289590 /nfs/dbraw/zinc/28/95/90/255289590.db2.gz RVFQMGTXZDWQGW-NSHDSACASA-N 1 0 339.396 1.675 20 5 EDBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000264151664 139383266 /nfs/dbraw/zinc/38/32/66/139383266.db2.gz QKKQYVVVJMCHKK-NSHDSACASA-N 1 0 329.422 1.912 20 5 EDBDRO Cc1[nH]nc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000264288009 139393888 /nfs/dbraw/zinc/39/38/88/139393888.db2.gz WGZYINUAGZRKIQ-UHFFFAOYSA-N 1 0 333.348 1.819 20 5 EDBDRO Nc1nc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000264333033 139397932 /nfs/dbraw/zinc/39/79/32/139397932.db2.gz TYVUDOCYHYOTCZ-AWEZNQCLSA-N 1 0 342.403 1.944 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000420427654 291991177 /nfs/dbraw/zinc/99/11/77/291991177.db2.gz RUTONTVFOJGPHK-ZYHUDNBSSA-N 1 0 327.406 1.569 20 5 EDBDRO COC(=O)c1cnc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000488723503 292030250 /nfs/dbraw/zinc/03/02/50/292030250.db2.gz WPUYRSDVTSUYBD-MBNYWOFBSA-N 1 0 348.403 1.943 20 5 EDBDRO CN(CC(C)(C)C[NH3+])C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269182900 139889660 /nfs/dbraw/zinc/88/96/60/139889660.db2.gz ATHRGURXEDWJQN-UHFFFAOYSA-N 1 0 336.392 1.158 20 5 EDBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000270065601 140041140 /nfs/dbraw/zinc/04/11/40/140041140.db2.gz GBFYVLDRFBZJCP-CQSZACIVSA-N 1 0 335.408 1.372 20 5 EDBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000270489169 140109990 /nfs/dbraw/zinc/10/99/90/140109990.db2.gz UFRVSNPBKHQMKC-SUMWQHHRSA-N 1 0 349.387 1.905 20 5 EDBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1csc([N+](=O)[O-])c1 ZINC000270736524 140158961 /nfs/dbraw/zinc/15/89/61/140158961.db2.gz ZIDZISBFBTZQJS-LBPRGKRZSA-N 1 0 327.406 1.623 20 5 EDBDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000271108170 140238414 /nfs/dbraw/zinc/23/84/14/140238414.db2.gz MVNUMMUVGDIKAA-GFCCVEGCSA-N 1 0 329.422 1.397 20 5 EDBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000271134843 140243529 /nfs/dbraw/zinc/24/35/29/140243529.db2.gz QZTOPSLTBSPEBH-JTQLQIEISA-N 1 0 326.349 1.853 20 5 EDBDRO CCOC(=O)CCCNC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000271627938 140322858 /nfs/dbraw/zinc/32/28/58/140322858.db2.gz DZUKDUFJZVUEES-LBPRGKRZSA-N 1 0 337.376 1.705 20 5 EDBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)CC1 ZINC000331745890 141076293 /nfs/dbraw/zinc/07/62/93/141076293.db2.gz YTMDFFJYQOEFPQ-CYBMUJFWSA-N 1 0 335.408 1.902 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000332259273 141148369 /nfs/dbraw/zinc/14/83/69/141148369.db2.gz DHGJOBFJXRDXOR-BONVTDFDSA-N 1 0 339.342 1.968 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1C ZINC000332680273 141228071 /nfs/dbraw/zinc/22/80/71/141228071.db2.gz SDKNNAJETXHXAI-STQMWFEESA-N 1 0 343.387 1.993 20 5 EDBDRO C[C@H]([NH2+][C@H]1CCC(=O)NC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000338597359 141842656 /nfs/dbraw/zinc/84/26/56/141842656.db2.gz LKOGWXRRFNPDTD-GWCFXTLKSA-N 1 0 334.376 1.569 20 5 EDBDRO CC1CC[NH+](CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000340114828 142269985 /nfs/dbraw/zinc/26/99/85/142269985.db2.gz QYOLILRZKGOWSS-UHFFFAOYSA-N 1 0 331.376 1.933 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)n1 ZINC000346260972 143184558 /nfs/dbraw/zinc/18/45/58/143184558.db2.gz LOKFILMZMABHIF-YNEHKIRRSA-N 1 0 335.408 1.614 20 5 EDBDRO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000346648702 143226199 /nfs/dbraw/zinc/22/61/99/143226199.db2.gz PMMABSCEJQEWQF-JHJVBQTASA-N 1 0 338.360 1.218 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000369689486 155136103 /nfs/dbraw/zinc/13/61/03/155136103.db2.gz ZOAOAKCBZHXTSL-HZPDHXFCSA-N 1 0 333.388 1.195 20 5 EDBDRO Cc1sc(S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000416561924 304331676 /nfs/dbraw/zinc/33/16/76/304331676.db2.gz VJMOQUOZIJOFQS-LLVKDONJSA-N 1 0 347.462 1.975 20 5 EDBDRO CC[NH+]1CCC(CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000572868029 306601863 /nfs/dbraw/zinc/60/18/63/306601863.db2.gz KLFZCYIUWXRWRB-UHFFFAOYSA-N 1 0 342.421 1.386 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000408127492 292175514 /nfs/dbraw/zinc/17/55/14/292175514.db2.gz DSKAXNCNWGPGRY-GFCCVEGCSA-N 1 0 325.390 1.372 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000422556346 292180123 /nfs/dbraw/zinc/18/01/23/292180123.db2.gz SSSWSOYALVEGAC-AGIUHOORSA-N 1 0 341.433 1.897 20 5 EDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000262479205 148982499 /nfs/dbraw/zinc/98/24/99/148982499.db2.gz ZGVUIYWMSZMHDG-ZDUSSCGKSA-N 1 0 343.387 1.982 20 5 EDBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000352569952 149068639 /nfs/dbraw/zinc/06/86/39/149068639.db2.gz ACCMPKDUQQNBOL-ZDUSSCGKSA-N 1 0 341.433 1.351 20 5 EDBDRO COC(=O)CN1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000354887813 150012861 /nfs/dbraw/zinc/01/28/61/150012861.db2.gz CGRYCCVVTOIVOI-CYBMUJFWSA-N 1 0 349.387 1.518 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3NC)[C@H]2C1 ZINC000355390071 150249334 /nfs/dbraw/zinc/24/93/34/150249334.db2.gz UHYDLJHPKYBZTI-GJZGRUSLSA-N 1 0 348.403 1.572 20 5 EDBDRO CC[NH+](CC)CCO[C@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355751441 150386473 /nfs/dbraw/zinc/38/64/73/150386473.db2.gz WDOMYCJNIQSBQP-ZDUSSCGKSA-N 1 0 325.413 1.261 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000361905195 286197816 /nfs/dbraw/zinc/19/78/16/286197816.db2.gz CVHDAWBSDXNMQZ-RISCZKNCSA-N 1 0 349.387 1.778 20 5 EDBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573740069 306632130 /nfs/dbraw/zinc/63/21/30/306632130.db2.gz FACHBIXHEXMECV-AAEUAGOBSA-N 1 0 334.376 1.053 20 5 EDBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000357543929 151062877 /nfs/dbraw/zinc/06/28/77/151062877.db2.gz DHHHWBOQVONPEG-JTQLQIEISA-N 1 0 330.410 1.383 20 5 EDBDRO CC[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000358304489 151331661 /nfs/dbraw/zinc/33/16/61/151331661.db2.gz XRCTUPDFXANDDB-ZIAGYGMSSA-N 1 0 328.390 1.449 20 5 EDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000360950863 152261609 /nfs/dbraw/zinc/26/16/09/152261609.db2.gz HZEOCQNDHJEVLD-LBPRGKRZSA-N 1 0 338.408 1.723 20 5 EDBDRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000370141400 155344988 /nfs/dbraw/zinc/34/49/88/155344988.db2.gz SDKVDZSCZNBFEW-OAHLLOKOSA-N 1 0 336.392 1.232 20 5 EDBDRO O=C(CC[N@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)Nc1ccc([N+](=O)[O-])cc1 ZINC000361331390 152364112 /nfs/dbraw/zinc/36/41/12/152364112.db2.gz NBKOUWCKFSHPMY-KGLIPLIRSA-N 1 0 332.360 1.276 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000364363773 153217370 /nfs/dbraw/zinc/21/73/70/153217370.db2.gz OUGMNYUNOCHVPI-CQDKDKBSSA-N 1 0 331.372 1.857 20 5 EDBDRO COc1ccc(CNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000417197753 304383682 /nfs/dbraw/zinc/38/36/82/304383682.db2.gz QHPBWGVUXUQHDZ-OLZOCXBDSA-N 1 0 334.376 1.354 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)cc1C ZINC000364807269 153339166 /nfs/dbraw/zinc/33/91/66/153339166.db2.gz DWJHLNUVFIDDPT-GFCCVEGCSA-N 1 0 327.406 1.632 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000367580711 154185973 /nfs/dbraw/zinc/18/59/73/154185973.db2.gz BJQCNOSWSZNGSQ-SMDDNHRTSA-N 1 0 325.390 1.310 20 5 EDBDRO Cn1ccnc1[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000367696588 154234108 /nfs/dbraw/zinc/23/41/08/154234108.db2.gz IBNDQNLVASPLLN-LVQVYYBASA-N 1 0 328.372 1.900 20 5 EDBDRO Cc1cc(C2=CC[N@H+](CCN3CCNC3=O)CC2)cc([N+](=O)[O-])c1N ZINC000368009841 154365768 /nfs/dbraw/zinc/36/57/68/154365768.db2.gz PKENDXFEYDMZJP-UHFFFAOYSA-N 1 0 345.403 1.600 20 5 EDBDRO Cc1c(C(=O)N[C@@H]2CC23CC[NH2+]CC3)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000368145001 154429082 /nfs/dbraw/zinc/42/90/82/154429082.db2.gz FSCWMPWWLQJUIS-CYBMUJFWSA-N 1 0 348.359 1.992 20 5 EDBDRO C[N@@H+]1C[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@H](c2ccccc2)C1 ZINC000372327301 156334426 /nfs/dbraw/zinc/33/44/26/156334426.db2.gz VTCPHIGCRPFTCG-KBPBESRZSA-N 1 0 329.360 1.005 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC(S(N)(=O)=O)CC1 ZINC000372387158 156365330 /nfs/dbraw/zinc/36/53/30/156365330.db2.gz ZQGPAOZFHXQALY-UHFFFAOYSA-N 1 0 343.405 1.246 20 5 EDBDRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000378361206 158152456 /nfs/dbraw/zinc/15/24/56/158152456.db2.gz DTWQPBZZNLKICC-HIFRSBDPSA-N 1 0 334.380 1.113 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000378391591 158162266 /nfs/dbraw/zinc/16/22/66/158162266.db2.gz CNDLYIUWCUEUDX-IIAWOOMASA-N 1 0 338.408 1.291 20 5 EDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CCN1C1CC[NH+](C)CC1 ZINC000408075933 158258012 /nfs/dbraw/zinc/25/80/12/158258012.db2.gz ZOUSZEFSZGVNNT-LBPRGKRZSA-N 1 0 335.408 1.163 20 5 EDBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000238148013 161520246 /nfs/dbraw/zinc/52/02/46/161520246.db2.gz TZCGPFCUQBZTJH-ZDUSSCGKSA-N 1 0 343.387 1.900 20 5 EDBDRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418389603 304489556 /nfs/dbraw/zinc/48/95/56/304489556.db2.gz WKUUAVOMMBAYQW-CYBMUJFWSA-N 1 0 333.392 1.178 20 5 EDBDRO CC(C)[C@H]([NH3+])CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418410765 304492895 /nfs/dbraw/zinc/49/28/95/304492895.db2.gz PNZNZZOTYDPTIM-CYBMUJFWSA-N 1 0 335.408 1.410 20 5 EDBDRO C[NH+](C)CCNC(=O)c1cccc(CNc2ncc([N+](=O)[O-])cn2)c1 ZINC000273611829 268065051 /nfs/dbraw/zinc/06/50/51/268065051.db2.gz MFOBZZHFDQVDBV-UHFFFAOYSA-N 1 0 344.375 1.288 20 5 EDBDRO Cc1csc(C2([NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCC2)n1 ZINC000274074495 268104129 /nfs/dbraw/zinc/10/41/29/268104129.db2.gz RSECJPWFYRBEFG-GFCCVEGCSA-N 1 0 337.405 1.586 20 5 EDBDRO COc1cc(C[NH2+]CCCCCS(C)(=O)=O)c([N+](=O)[O-])cc1O ZINC000274736053 268194271 /nfs/dbraw/zinc/19/42/71/268194271.db2.gz IRCLCPWYRTYIQN-UHFFFAOYSA-N 1 0 346.405 1.614 20 5 EDBDRO CNC(=O)c1ccn([C@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000275581985 268363465 /nfs/dbraw/zinc/36/34/65/268363465.db2.gz PBFLFLVTSXYEPJ-AWEZNQCLSA-N 1 0 343.387 1.988 20 5 EDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000275823849 268374606 /nfs/dbraw/zinc/37/46/06/268374606.db2.gz NJGRWPAJBWHVGO-JTQLQIEISA-N 1 0 328.800 1.925 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CCCCO ZINC000276221945 273154587 /nfs/dbraw/zinc/15/45/87/273154587.db2.gz BFBZDGWESPMLOS-NSHDSACASA-N 1 0 325.365 1.635 20 5 EDBDRO CC(=O)N1CCN(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000278178648 273252406 /nfs/dbraw/zinc/25/24/06/273252406.db2.gz DGKWMGZEMQZHKP-GOSISDBHSA-N 1 0 346.431 1.726 20 5 EDBDRO CC1(C)C[C@H]([NH2+]CCN2C(=O)CNC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000278960571 273276713 /nfs/dbraw/zinc/27/67/13/273276713.db2.gz BGMKMKCZBJMTBG-ZDUSSCGKSA-N 1 0 332.360 1.459 20 5 EDBDRO C[C@H](CO)[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000280576052 273373045 /nfs/dbraw/zinc/37/30/45/273373045.db2.gz SKQMTRWHVOGHSB-CZUORRHYSA-N 1 0 338.404 1.817 20 5 EDBDRO O=c1[nH]c(N2CC[NH+](CC3CC3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000280918208 273414913 /nfs/dbraw/zinc/41/49/13/273414913.db2.gz FRCBMYKZDWQEHI-UHFFFAOYSA-N 1 0 329.360 1.776 20 5 EDBDRO COCC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000490093157 274024770 /nfs/dbraw/zinc/02/47/70/274024770.db2.gz SEWINXNAPXKITQ-CYBMUJFWSA-N 1 0 340.376 1.720 20 5 EDBDRO CC1(C)CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000284190170 274110958 /nfs/dbraw/zinc/11/09/58/274110958.db2.gz GCDVAUNYPANPSM-CYBMUJFWSA-N 1 0 327.406 1.651 20 5 EDBDRO Cn1cncc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000284518296 274231645 /nfs/dbraw/zinc/23/16/45/274231645.db2.gz LSDJUGBDOVRWBW-QMTHXVAHSA-N 1 0 335.389 1.499 20 5 EDBDRO CC[NH+]1CCN([C@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000153734671 276202257 /nfs/dbraw/zinc/20/22/57/276202257.db2.gz YXWSUTIRXOCYKZ-ZDUSSCGKSA-N 1 0 339.827 1.859 20 5 EDBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000193302119 277033067 /nfs/dbraw/zinc/03/30/67/277033067.db2.gz GHFPZWYHWUBNIG-GFCCVEGCSA-N 1 0 327.406 1.584 20 5 EDBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000157262787 277156763 /nfs/dbraw/zinc/15/67/63/277156763.db2.gz WGQNLPPAECIXTI-UKRRQHHQSA-N 1 0 332.404 1.949 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000237082897 277283244 /nfs/dbraw/zinc/28/32/44/277283244.db2.gz SJPHQACOTSIGRT-GFCCVEGCSA-N 1 0 344.375 1.247 20 5 EDBDRO COC(=O)[C@@]12CCC[C@H]1C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000371710133 277378816 /nfs/dbraw/zinc/37/88/16/277378816.db2.gz XNUUDPGKFCHIIT-BLLLJJGKSA-N 1 0 335.360 1.032 20 5 EDBDRO C[C@@H]1[NH2+]CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000262779665 278050573 /nfs/dbraw/zinc/05/05/73/278050573.db2.gz OMTDPLFVYUNNCT-IUCAKERBSA-N 1 0 333.797 1.619 20 5 EDBDRO C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178657193 278385365 /nfs/dbraw/zinc/38/53/65/278385365.db2.gz YBVVETLETNZQAD-ABAIWWIYSA-N 1 0 329.360 1.784 20 5 EDBDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000185198760 278433774 /nfs/dbraw/zinc/43/37/74/278433774.db2.gz PWZJCPGLZJWJMF-LBPRGKRZSA-N 1 0 339.396 1.684 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000286720160 288069827 /nfs/dbraw/zinc/06/98/27/288069827.db2.gz DZKNREFRQVFZIA-VHSXEESVSA-N 1 0 337.405 1.491 20 5 EDBDRO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C1)CCCC2 ZINC000286857002 288105606 /nfs/dbraw/zinc/10/56/06/288105606.db2.gz UPXKRSJAAXNJQB-NSHDSACASA-N 1 0 344.375 1.789 20 5 EDBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000189144458 279309945 /nfs/dbraw/zinc/30/99/45/279309945.db2.gz YLFPRANSCZZFQN-CHWSQXEVSA-N 1 0 341.433 1.994 20 5 EDBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000286973171 288128317 /nfs/dbraw/zinc/12/83/17/288128317.db2.gz PNOGWODZDYLWPE-OWCLPIDISA-N 1 0 349.431 1.893 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000287197421 288178413 /nfs/dbraw/zinc/17/84/13/288178413.db2.gz DJAFOSIIEDIENK-ZIAGYGMSSA-N 1 0 337.376 1.049 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000371506123 280259539 /nfs/dbraw/zinc/25/95/39/280259539.db2.gz OKVCFGIXTCZDIF-TZMCWYRMSA-N 1 0 339.417 1.618 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000287387500 288226411 /nfs/dbraw/zinc/22/64/11/288226411.db2.gz INRUBMODZXAGCX-TZMCWYRMSA-N 1 0 343.387 1.958 20 5 EDBDRO O=C([C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000287452341 288241402 /nfs/dbraw/zinc/24/14/02/288241402.db2.gz QRKRYMJUQQNCBT-ZDUSSCGKSA-N 1 0 348.359 1.947 20 5 EDBDRO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000287512683 288254486 /nfs/dbraw/zinc/25/44/86/288254486.db2.gz UNKKSPDFRVEBQQ-ZDUSSCGKSA-N 1 0 339.396 1.782 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000272392194 281020548 /nfs/dbraw/zinc/02/05/48/281020548.db2.gz XXBPOPXBYVYHEQ-BDJLRTHQSA-N 1 0 332.360 1.590 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000262003132 281262108 /nfs/dbraw/zinc/26/21/08/281262108.db2.gz VJXYFPBAXNRYNG-RYUDHWBXSA-N 1 0 327.406 1.794 20 5 EDBDRO CNC(=O)CN1CCC(Nc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291551742 289103582 /nfs/dbraw/zinc/10/35/82/289103582.db2.gz AWNULBPNIRMHAS-UHFFFAOYSA-N 1 0 343.387 1.765 20 5 EDBDRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000291867235 289201476 /nfs/dbraw/zinc/20/14/76/289201476.db2.gz JMYPWILYNYGZPK-OAHLLOKOSA-N 1 0 339.417 1.452 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292118100 289265277 /nfs/dbraw/zinc/26/52/77/289265277.db2.gz JWZSGCSROQUPKM-KRWDZBQOSA-N 1 0 348.403 1.570 20 5 EDBDRO C[NH+](C)[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1O ZINC000292363515 289326285 /nfs/dbraw/zinc/32/62/85/289326285.db2.gz OYGYIFWGMKTARX-RYUDHWBXSA-N 1 0 330.182 1.468 20 5 EDBDRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000178925668 298950204 /nfs/dbraw/zinc/95/02/04/298950204.db2.gz AFVMPSZHVCLLHX-VIFPVBQESA-N 1 0 331.369 1.482 20 5 EDBDRO C[C@H]1C[C@@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000420432473 304757603 /nfs/dbraw/zinc/75/76/03/304757603.db2.gz HDZGYVHLTVCFIK-AAEUAGOBSA-N 1 0 327.406 1.197 20 5 EDBDRO CN(CC[NH3+])S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420468017 304762094 /nfs/dbraw/zinc/76/20/94/304762094.db2.gz DZEDZRJXRMFNEY-UHFFFAOYSA-N 1 0 328.177 1.481 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000420484218 304764147 /nfs/dbraw/zinc/76/41/47/304764147.db2.gz XOHVGWRJWKCGJD-ZYHUDNBSSA-N 1 0 327.406 1.509 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)c1C ZINC000120309610 301858539 /nfs/dbraw/zinc/85/85/39/301858539.db2.gz DAEAVLZAFUHDTI-GFCCVEGCSA-N 1 0 327.406 1.536 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000294468983 303111896 /nfs/dbraw/zinc/11/18/96/303111896.db2.gz CRDZUQLUSFWOOT-UHFFFAOYSA-N 1 0 325.340 1.910 20 5 EDBDRO CC1(C)OCC[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000295150314 303180427 /nfs/dbraw/zinc/18/04/27/303180427.db2.gz DDHXOOSLYZDJHU-CYBMUJFWSA-N 1 0 337.332 1.419 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C[C@H]12 ZINC000248633886 303472275 /nfs/dbraw/zinc/47/22/75/303472275.db2.gz PVHUSQHOTYPULJ-WCABBAIRSA-N 1 0 329.353 1.092 20 5 EDBDRO CC[NH+]1CCN([C@H](C)CNc2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000301563998 303684718 /nfs/dbraw/zinc/68/47/18/303684718.db2.gz YRROQXCDOSNQBN-CYBMUJFWSA-N 1 0 349.435 1.392 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC1CC[NH+](C)CC1 ZINC000301738097 303692369 /nfs/dbraw/zinc/69/23/69/303692369.db2.gz SFHCMEZLCKSXOI-UHFFFAOYSA-N 1 0 338.320 1.796 20 5 EDBDRO COC(=O)c1cnc(N2CCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000302749995 303732767 /nfs/dbraw/zinc/73/27/67/303732767.db2.gz GVOMHYLQPSYJIB-CYBMUJFWSA-N 1 0 334.376 1.841 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000318439047 303764266 /nfs/dbraw/zinc/76/42/66/303764266.db2.gz CYPPXAIIYNSYRR-GFCCVEGCSA-N 1 0 327.406 1.666 20 5 EDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[N@H+]1CCO ZINC000493569199 447343852 /nfs/dbraw/zinc/34/38/52/447343852.db2.gz RYPLFNNWUPMPQT-WHLNPGIBSA-N 1 0 333.388 1.571 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2CCC[C@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000423602603 304900986 /nfs/dbraw/zinc/90/09/86/304900986.db2.gz FNXLLMZNBQSZFP-CYBMUJFWSA-N 1 0 348.403 1.220 20 5 EDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000429265317 305027140 /nfs/dbraw/zinc/02/71/40/305027140.db2.gz FPURFZMLDXRDJJ-MRXNPFEDSA-N 1 0 337.376 1.398 20 5 EDBDRO CNC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430284174 305049651 /nfs/dbraw/zinc/04/96/51/305049651.db2.gz MODOXXOOWBFGLR-SJCJKPOMSA-N 1 0 348.403 1.688 20 5 EDBDRO C[C@@H]1CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H](C)[NH2+]1 ZINC000430927378 305068691 /nfs/dbraw/zinc/06/86/91/305068691.db2.gz IQKOJYHETMWYLJ-VXGBXAGGSA-N 1 0 334.376 1.575 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000431012403 305072705 /nfs/dbraw/zinc/07/27/05/305072705.db2.gz BFJYUGBOHOWWRK-UHFFFAOYSA-N 1 0 339.417 1.667 20 5 EDBDRO C[C@H](NC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)c1cccc([N+](=O)[O-])c1 ZINC000433385213 305107151 /nfs/dbraw/zinc/10/71/51/305107151.db2.gz BBVMKBJIVOHSTH-FZMZJTMJSA-N 1 0 344.375 1.602 20 5 EDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000434705918 305128655 /nfs/dbraw/zinc/12/86/55/305128655.db2.gz LCSMQASJWBDESF-PWSUYJOCSA-N 1 0 335.360 1.165 20 5 EDBDRO CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435741479 305146784 /nfs/dbraw/zinc/14/67/84/305146784.db2.gz PFZVNAPVFHQFAP-CQSZACIVSA-N 1 0 348.403 1.315 20 5 EDBDRO C[NH+](C)CCn1nccc1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000436483682 305158498 /nfs/dbraw/zinc/15/84/98/305158498.db2.gz AOKWAJPKIOUDET-UHFFFAOYSA-N 1 0 346.391 1.717 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000447250314 305276242 /nfs/dbraw/zinc/27/62/42/305276242.db2.gz WBLHUMOKCFKSMP-NWDGAFQWSA-N 1 0 327.406 1.569 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCS(=O)(=O)C2)n1 ZINC000447537222 305281779 /nfs/dbraw/zinc/28/17/79/305281779.db2.gz UDVRRLBHTARMFQ-RWMBFGLXSA-N 1 0 342.421 1.299 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449699390 305317356 /nfs/dbraw/zinc/31/73/56/305317356.db2.gz OVEIEMNIJLPNDT-KGLIPLIRSA-N 1 0 332.404 1.855 20 5 EDBDRO O=C1CCCN1C[C@@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548722 305352892 /nfs/dbraw/zinc/35/28/92/305352892.db2.gz NXTBAOYMSXLWQH-RDJZCZTQSA-N 1 0 347.415 1.758 20 5 EDBDRO Cc1c(CC(=O)NC[C@H]2CCC[N@@H+]2CCCO)cccc1[N+](=O)[O-] ZINC000452367239 305393435 /nfs/dbraw/zinc/39/34/35/305393435.db2.gz PNHYXIFZSQCAKS-OAHLLOKOSA-N 1 0 335.404 1.409 20 5 EDBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000452382145 305395462 /nfs/dbraw/zinc/39/54/62/305395462.db2.gz LFGWXSSASNGGMH-CYBMUJFWSA-N 1 0 341.795 1.825 20 5 EDBDRO CCc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000452384496 305396132 /nfs/dbraw/zinc/39/61/32/305396132.db2.gz RTEFSZSKNQGPMP-OAHLLOKOSA-N 1 0 335.404 1.734 20 5 EDBDRO CNc1nc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000455554770 305443710 /nfs/dbraw/zinc/44/37/10/305443710.db2.gz NWGYULJGHWORNB-LBPRGKRZSA-N 1 0 333.392 1.732 20 5 EDBDRO C[NH+](C)[C@@]1(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CCSC1 ZINC000530650209 305944841 /nfs/dbraw/zinc/94/48/41/305944841.db2.gz GCCXSBLADPSPLU-OAHLLOKOSA-N 1 0 338.433 1.831 20 5 EDBDRO CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@@H+]1CCOC ZINC000535757665 306016822 /nfs/dbraw/zinc/01/68/22/306016822.db2.gz AJPKIEKNDOVAOJ-CYBMUJFWSA-N 1 0 338.408 1.506 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H]2CCC[N@H+](C)C2)c1F ZINC000556824635 306218942 /nfs/dbraw/zinc/21/89/42/306218942.db2.gz JSJKJKVCFDYJDJ-LLVKDONJSA-N 1 0 339.367 1.743 20 5 EDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000449205697 447368644 /nfs/dbraw/zinc/36/86/44/447368644.db2.gz OPRKIXNSKANJSJ-XPKDYRNWSA-N 1 0 335.404 1.751 20 5 EDBDRO CN1CCNC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414976126 447381695 /nfs/dbraw/zinc/38/16/95/447381695.db2.gz NNLIXPCNRQTBSX-OIISXLGYSA-N 1 0 332.448 1.799 20 5 EDBDRO CCOc1cc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000449720668 447389650 /nfs/dbraw/zinc/38/96/50/447389650.db2.gz SODPTOUYMAFPAL-GHMZBOCLSA-N 1 0 337.376 1.859 20 5 EDBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000378293778 447414010 /nfs/dbraw/zinc/41/40/10/447414010.db2.gz PBOOMUDFGVJART-MNOVXSKESA-N 1 0 329.360 2.284 20 5 EDBDRO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000449945778 447417891 /nfs/dbraw/zinc/41/78/91/447417891.db2.gz RRSDHBWPJXSMRX-CQSZACIVSA-N 1 0 343.387 1.947 20 5 EDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[N@H+](C)C1CC1 ZINC000057702102 441128180 /nfs/dbraw/zinc/12/81/80/441128180.db2.gz FLJLOADWPMYRKB-SNVBAGLBSA-N 1 0 335.360 1.579 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000057720792 441131411 /nfs/dbraw/zinc/13/14/11/441131411.db2.gz GDUNUXWMOUDKKB-RYUDHWBXSA-N 1 0 348.403 1.312 20 5 EDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000047037864 441151053 /nfs/dbraw/zinc/15/10/53/441151053.db2.gz XRWSIKJIULKSOT-OKILXGFUSA-N 1 0 337.424 1.666 20 5 EDBDRO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[NH+]1CCCCC1 ZINC000060379948 441239689 /nfs/dbraw/zinc/23/96/89/441239689.db2.gz ZGMCTQBZVLECNE-UHFFFAOYSA-N 1 0 328.394 1.140 20 5 EDBDRO CC(C)[NH+](CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(C)C ZINC000015131525 441196058 /nfs/dbraw/zinc/19/60/58/441196058.db2.gz JYWJXEYZMPMEAO-UHFFFAOYSA-N 1 0 344.437 1.773 20 5 EDBDRO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])nc2)CC1 ZINC000047523770 441200613 /nfs/dbraw/zinc/20/06/13/441200613.db2.gz HAEQELWHOKIVFR-UHFFFAOYSA-N 1 0 341.371 1.994 20 5 EDBDRO C[NH+]1CCN(CCCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000061523677 441275164 /nfs/dbraw/zinc/27/51/64/441275164.db2.gz UEILWIVITGPIQB-BQYQJAHWSA-N 1 0 332.404 1.362 20 5 EDBDRO C[NH+](C)C1CCN(CCNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087455007 441492141 /nfs/dbraw/zinc/49/21/41/441492141.db2.gz RYTOBALKHBKQIM-UHFFFAOYSA-N 1 0 348.447 1.670 20 5 EDBDRO CNS(=O)(=O)c1ccc(N[C@@H](C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000065945419 441496638 /nfs/dbraw/zinc/49/66/38/441496638.db2.gz WBRVQMLPNDMQKC-JTQLQIEISA-N 1 0 330.410 1.255 20 5 EDBDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000108406636 441452350 /nfs/dbraw/zinc/45/23/50/441452350.db2.gz HUXAJARFKFAKOS-CYBMUJFWSA-N 1 0 327.406 1.356 20 5 EDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C[NH+]1CCCC1 ZINC000066619369 441553057 /nfs/dbraw/zinc/55/30/57/441553057.db2.gz QTJOFBHQIAXRAC-GFCCVEGCSA-N 1 0 349.387 1.828 20 5 EDBDRO Cc1cc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000112914880 441566165 /nfs/dbraw/zinc/56/61/65/441566165.db2.gz PSQXGFNVATXBMP-QGZVFWFLSA-N 1 0 348.447 1.905 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000038287723 441614692 /nfs/dbraw/zinc/61/46/92/441614692.db2.gz INFFCHJODFKSFI-CQSZACIVSA-N 1 0 346.339 1.853 20 5 EDBDRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000067208101 441617937 /nfs/dbraw/zinc/61/79/37/441617937.db2.gz SJZOIGOAAWPULH-ZDUSSCGKSA-N 1 0 329.360 1.311 20 5 EDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000090798845 441644189 /nfs/dbraw/zinc/64/41/89/441644189.db2.gz JLJILNNPCIUFIM-TZMCWYRMSA-N 1 0 341.433 1.978 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C[N@@H+]1Cc1ccccc1 ZINC000137430821 441768707 /nfs/dbraw/zinc/76/87/07/441768707.db2.gz VGCRVTVKMHQDKB-UKRRQHHQSA-N 1 0 343.387 1.571 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000139181387 441807257 /nfs/dbraw/zinc/80/72/57/441807257.db2.gz KCGYNBIDHIAAJJ-NSHDSACASA-N 1 0 337.376 1.826 20 5 EDBDRO COc1cc(OCC(=O)N2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000068876800 441862421 /nfs/dbraw/zinc/86/24/21/441862421.db2.gz CIZVCWFSOULURC-UHFFFAOYSA-N 1 0 349.387 1.536 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000173733151 441831438 /nfs/dbraw/zinc/83/14/38/441831438.db2.gz VITSWSZGRWEZHT-ZDUSSCGKSA-N 1 0 348.403 1.642 20 5 EDBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000069474904 441945120 /nfs/dbraw/zinc/94/51/20/441945120.db2.gz DGGHYJYWGLRVKR-GFCCVEGCSA-N 1 0 349.387 1.828 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000125231195 442000772 /nfs/dbraw/zinc/00/07/72/442000772.db2.gz JIOSAQOKNAJPQE-ZJUUUORDSA-N 1 0 329.378 1.152 20 5 EDBDRO C[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+]1CCC(C)CC1 ZINC000151298045 442038518 /nfs/dbraw/zinc/03/85/18/442038518.db2.gz OTISNDCJDCZBDI-ZDUSSCGKSA-N 1 0 338.412 1.211 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](CCO)C(C)C)c([N+](=O)[O-])c1 ZINC000162181418 442071540 /nfs/dbraw/zinc/07/15/40/442071540.db2.gz FMGOULJJWYMXSR-ZDUSSCGKSA-N 1 0 339.392 1.929 20 5 EDBDRO COC[C@](C)(CCO)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000079921470 442097436 /nfs/dbraw/zinc/09/74/36/442097436.db2.gz UGDFYHPSMIRDET-INIZCTEOSA-N 1 0 339.392 1.609 20 5 EDBDRO COC1CC[NH+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000079998925 442105464 /nfs/dbraw/zinc/10/54/64/442105464.db2.gz YMJMNTOTQSARRD-UHFFFAOYSA-N 1 0 340.355 1.157 20 5 EDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151673854 442105529 /nfs/dbraw/zinc/10/55/29/442105529.db2.gz ODESLMHPWBBKJP-ZDUSSCGKSA-N 1 0 338.412 1.165 20 5 EDBDRO CCC[NH+]1CCC(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000151689364 442107330 /nfs/dbraw/zinc/10/73/30/442107330.db2.gz JNOGHOKGXDYGOF-UHFFFAOYSA-N 1 0 338.412 1.213 20 5 EDBDRO Cc1nn(C)c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000128477346 442268851 /nfs/dbraw/zinc/26/88/51/442268851.db2.gz NOHGABYXBLGLHY-MEDUHNTESA-N 1 0 337.424 1.877 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[N@@H+]1C1CC1 ZINC000177163819 442308137 /nfs/dbraw/zinc/30/81/37/442308137.db2.gz BHVBONPNKVUQSV-UWVGGRQHSA-N 1 0 329.360 1.826 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000171628724 442364280 /nfs/dbraw/zinc/36/42/80/442364280.db2.gz MUCBGMITBZZVLV-SNVBAGLBSA-N 1 0 343.405 1.351 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC([C@H](C)[NH3+])CC2)cc1C ZINC000171628762 442364542 /nfs/dbraw/zinc/36/45/42/442364542.db2.gz IQBPTARQDYQTDW-LBPRGKRZSA-N 1 0 341.433 1.960 20 5 EDBDRO CC[C@H](C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])[NH+](C)C ZINC000178348725 442426142 /nfs/dbraw/zinc/42/61/42/442426142.db2.gz LGJVDDATHNGBMR-GFCCVEGCSA-N 1 0 339.392 1.611 20 5 EDBDRO C[NH+](C)Cc1cc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)ccc1F ZINC000172231737 442427496 /nfs/dbraw/zinc/42/74/96/442427496.db2.gz NCKCRFBMPKCMJG-UHFFFAOYSA-N 1 0 335.339 1.308 20 5 EDBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172412888 442456288 /nfs/dbraw/zinc/45/62/88/442456288.db2.gz VFCMUBBUZMVXQZ-UHFFFAOYSA-N 1 0 334.376 1.786 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134597828 442499187 /nfs/dbraw/zinc/49/91/87/442499187.db2.gz DYHIYFSNNVQSNP-UHFFFAOYSA-N 1 0 329.784 1.946 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000186165674 442476614 /nfs/dbraw/zinc/47/66/14/442476614.db2.gz UZTNFURKZFSYSS-ZQHYZAEZSA-N 1 0 346.431 1.750 20 5 EDBDRO CCCN(C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000178889272 442515221 /nfs/dbraw/zinc/51/52/21/442515221.db2.gz LQVPDXQZURKMAR-DOMZBBRYSA-N 1 0 348.403 1.314 20 5 EDBDRO C[C@](C[NH3+])(NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC1 ZINC000179174346 442589724 /nfs/dbraw/zinc/58/97/24/442589724.db2.gz IFZXRXGRGKUZCI-MRXNPFEDSA-N 1 0 329.360 1.638 20 5 EDBDRO C[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000135515416 442605456 /nfs/dbraw/zinc/60/54/56/442605456.db2.gz GBDAOHSHPKFKFW-NSHDSACASA-N 1 0 329.360 1.495 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCCc3c(O)cccc32)c1 ZINC000192365476 442640333 /nfs/dbraw/zinc/64/03/33/442640333.db2.gz IEBLNVFWMJWPDY-DOMZBBRYSA-N 1 0 332.360 1.525 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)c1cccs1 ZINC000180498547 442612121 /nfs/dbraw/zinc/61/21/21/442612121.db2.gz NDLSELRFDDDALT-NSHDSACASA-N 1 0 335.389 1.666 20 5 EDBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000180532526 442617488 /nfs/dbraw/zinc/61/74/88/442617488.db2.gz LDCZPWSRNNAWSH-GFCCVEGCSA-N 1 0 335.408 1.814 20 5 EDBDRO CN(C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@H]1CCC[N@H+](C)C1 ZINC000181168402 442682535 /nfs/dbraw/zinc/68/25/35/442682535.db2.gz VXSKEIPLBPRABF-LRDDRELGSA-N 1 0 346.387 1.640 20 5 EDBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000181187386 442683864 /nfs/dbraw/zinc/68/38/64/442683864.db2.gz GSBNFOQKXHUTMY-LBPRGKRZSA-N 1 0 333.344 1.634 20 5 EDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000187816559 442693373 /nfs/dbraw/zinc/69/33/73/442693373.db2.gz NGTMBTGKMPRUHL-GFCCVEGCSA-N 1 0 341.433 1.397 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])c1[N+](=O)[O-] ZINC000193240455 442725573 /nfs/dbraw/zinc/72/55/73/442725573.db2.gz CUIAFHFFALZOQV-VXGBXAGGSA-N 1 0 327.406 1.760 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000193496566 442748854 /nfs/dbraw/zinc/74/88/54/442748854.db2.gz QPLQTLYRLVHXTR-WCQYABFASA-N 1 0 329.360 1.651 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000246685277 442802237 /nfs/dbraw/zinc/80/22/37/442802237.db2.gz MQNNZJDAOGJNFD-YSVLISHTSA-N 1 0 336.388 1.835 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000193705611 442770104 /nfs/dbraw/zinc/77/01/04/442770104.db2.gz FUODGIGDMCZSAE-AWEZNQCLSA-N 1 0 348.403 1.363 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H](C)[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000246474607 442783795 /nfs/dbraw/zinc/78/37/95/442783795.db2.gz GDLXHCXAJDHUAW-IINYFYTJSA-N 1 0 327.406 1.651 20 5 EDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000268007743 442814747 /nfs/dbraw/zinc/81/47/47/442814747.db2.gz UDGFHYLAWPWWOV-CYBMUJFWSA-N 1 0 339.392 1.447 20 5 EDBDRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182767114 442821455 /nfs/dbraw/zinc/82/14/55/442821455.db2.gz RACAWIJJSSSVAH-UHFFFAOYSA-N 1 0 328.756 1.255 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000268160524 442876963 /nfs/dbraw/zinc/87/69/63/442876963.db2.gz XAQXBTDLQKBDNE-WFASDCNBSA-N 1 0 347.419 1.789 20 5 EDBDRO C[NH+](C)CCOc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)ccn1 ZINC000183129231 442885610 /nfs/dbraw/zinc/88/56/10/442885610.db2.gz DPQSFOZKLQSKTL-UHFFFAOYSA-N 1 0 344.371 1.860 20 5 EDBDRO NC(=O)C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000181936470 318493057 /nfs/dbraw/zinc/49/30/57/318493057.db2.gz XVXHWGPRHXCPEL-HNNXBMFYSA-N 1 0 337.376 1.234 20 5 EDBDRO NC(=O)C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000181936493 318493436 /nfs/dbraw/zinc/49/34/36/318493436.db2.gz XVXHWGPRHXCPEL-OAHLLOKOSA-N 1 0 337.376 1.234 20 5 EDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@@H](C)O)[C@H](C)CO ZINC000248897331 442936205 /nfs/dbraw/zinc/93/62/05/442936205.db2.gz GTIJTHOXILAYAL-CHWSQXEVSA-N 1 0 326.393 1.946 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000249514001 442980673 /nfs/dbraw/zinc/98/06/73/442980673.db2.gz ISFVPRAMYOYBHO-RWMBFGLXSA-N 1 0 339.417 1.569 20 5 EDBDRO COc1cc(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1OC ZINC000265963428 442986502 /nfs/dbraw/zinc/98/65/02/442986502.db2.gz RHHKVFJTVHGNJM-LLVKDONJSA-N 1 0 337.376 1.636 20 5 EDBDRO COc1cc(OCC(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000266150198 443036041 /nfs/dbraw/zinc/03/60/41/443036041.db2.gz HAWGFBDXAKQNOZ-FZMZJTMJSA-N 1 0 337.376 1.391 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000266053530 443000414 /nfs/dbraw/zinc/00/04/14/443000414.db2.gz ZISWWLIJWYGBIA-AWEZNQCLSA-N 1 0 335.404 1.758 20 5 EDBDRO Cc1nn(CCC(=O)N(CC[NH3+])Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000184220910 443002467 /nfs/dbraw/zinc/00/24/67/443002467.db2.gz VITCQHIBYRZVPO-UHFFFAOYSA-N 1 0 345.403 1.786 20 5 EDBDRO CC(=O)N1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000268634254 443058456 /nfs/dbraw/zinc/05/84/56/443058456.db2.gz CBZITMPPPDQVLP-ZDUSSCGKSA-N 1 0 348.403 1.784 20 5 EDBDRO CN(C(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000184817836 443080743 /nfs/dbraw/zinc/08/07/43/443080743.db2.gz KMOJMVMBJOFMOS-UONOGXRCSA-N 1 0 334.376 1.191 20 5 EDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000255075896 443084340 /nfs/dbraw/zinc/08/43/40/443084340.db2.gz UHDBEZKFROYWMZ-IYKSTZQJSA-N 1 0 345.399 1.789 20 5 EDBDRO COCCC[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000268874590 443133827 /nfs/dbraw/zinc/13/38/27/443133827.db2.gz YLTHRSTZLNOFBH-LBPRGKRZSA-N 1 0 345.421 1.278 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000268824545 443119164 /nfs/dbraw/zinc/11/91/64/443119164.db2.gz UUSQOMNACKDVLK-GFCCVEGCSA-N 1 0 327.406 1.618 20 5 EDBDRO CN1CCN(C)[C@@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000268864924 443130464 /nfs/dbraw/zinc/13/04/64/443130464.db2.gz FHNLXCMDLUZQPD-DLBZAZTESA-N 1 0 332.448 1.751 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262029814 443180102 /nfs/dbraw/zinc/18/01/02/443180102.db2.gz BJEAPHKRXRJFAC-OAHLLOKOSA-N 1 0 329.360 1.185 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)cc1C ZINC000262016027 443180623 /nfs/dbraw/zinc/18/06/23/443180623.db2.gz XBRAJOODJOBRHT-LBPRGKRZSA-N 1 0 327.406 1.632 20 5 EDBDRO CC(C)C[C@H](CO)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000185318476 443181375 /nfs/dbraw/zinc/18/13/75/443181375.db2.gz KTGKOIKKLRJBCM-KGLIPLIRSA-N 1 0 326.393 1.673 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000262325004 443190577 /nfs/dbraw/zinc/19/05/77/443190577.db2.gz ROSUPWOXCWJBHW-AWEZNQCLSA-N 1 0 327.406 1.571 20 5 EDBDRO COC[C@@]1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000262473224 443195943 /nfs/dbraw/zinc/19/59/43/443195943.db2.gz JKMYZEUGORVXJA-AWEZNQCLSA-N 1 0 327.768 1.747 20 5 EDBDRO C[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@H]1CCC[NH2+]C1 ZINC000269199341 443230276 /nfs/dbraw/zinc/23/02/76/443230276.db2.gz MEGNILQYJVSUFT-RYUDHWBXSA-N 1 0 344.375 1.293 20 5 EDBDRO C[C@H](O)C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H](C)CO ZINC000190874347 443201961 /nfs/dbraw/zinc/20/19/61/443201961.db2.gz MGZJKQZLUHNKBD-QWRGUYRKSA-N 1 0 343.355 1.126 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](CC)C2)cc1OC ZINC000414008709 319310332 /nfs/dbraw/zinc/31/03/32/319310332.db2.gz VJSIOHGAPDTXAD-LLVKDONJSA-N 1 0 337.376 1.826 20 5 EDBDRO CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000415380600 319362425 /nfs/dbraw/zinc/36/24/25/319362425.db2.gz PNUKVIZPFRQHKR-LBPRGKRZSA-N 1 0 348.403 1.699 20 5 EDBDRO CC[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000269357550 443292281 /nfs/dbraw/zinc/29/22/81/443292281.db2.gz IFAHJZYMZPGCSR-JQWIXIFHSA-N 1 0 328.800 1.925 20 5 EDBDRO Cc1cc(NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)ncc1[N+](=O)[O-] ZINC000266857483 443269610 /nfs/dbraw/zinc/26/96/10/443269610.db2.gz UWVNNYMBHKBPCN-ZDUSSCGKSA-N 1 0 335.408 1.653 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272494037 443339708 /nfs/dbraw/zinc/33/97/08/443339708.db2.gz IBFKJCIRVOCVHL-UHFFFAOYSA-N 1 0 345.346 1.771 20 5 EDBDRO C[NH+]1CCC(O)(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000267096972 443340876 /nfs/dbraw/zinc/34/08/76/443340876.db2.gz LFGANVFNIMYFDP-UHFFFAOYSA-N 1 0 346.387 1.122 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)n1 ZINC000191458480 443296513 /nfs/dbraw/zinc/29/65/13/443296513.db2.gz MHXUVBVMMPLUSU-CYBMUJFWSA-N 1 0 331.376 1.844 20 5 EDBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272597410 443377441 /nfs/dbraw/zinc/37/74/41/443377441.db2.gz UQUYLEHLWHJKAH-CYBMUJFWSA-N 1 0 342.346 1.049 20 5 EDBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000264613184 443347580 /nfs/dbraw/zinc/34/75/80/443347580.db2.gz PWSBSWPSVIGGRZ-SECBINFHSA-N 1 0 338.393 1.056 20 5 EDBDRO C[C@H](NC(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000419131003 319559209 /nfs/dbraw/zinc/55/92/09/319559209.db2.gz BUJUGLODRUXWLZ-GVXVVHGQSA-N 1 0 334.376 1.016 20 5 EDBDRO COC(=O)/C=C/c1ccc(NC[C@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000264681583 443372161 /nfs/dbraw/zinc/37/21/61/443372161.db2.gz AHBCNIHEGJOLCL-DYLGSBMWSA-N 1 0 348.403 1.439 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c1 ZINC000420423670 319616691 /nfs/dbraw/zinc/61/66/91/319616691.db2.gz NIRHAOTYODAOIP-WDEREUQCSA-N 1 0 327.406 1.583 20 5 EDBDRO COC(C[N@H+](CCCO)CCOc1ccccc1[N+](=O)[O-])OC ZINC000272779961 443442467 /nfs/dbraw/zinc/44/24/67/443442467.db2.gz YIYIGSJDZVYJLP-UHFFFAOYSA-N 1 0 328.365 1.277 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NCC2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000272909424 443486487 /nfs/dbraw/zinc/48/64/87/443486487.db2.gz LGUXMHCHAKGDEL-UHFFFAOYSA-N 1 0 346.387 1.011 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)Cn1cccn1 ZINC000264851110 443452910 /nfs/dbraw/zinc/45/29/10/443452910.db2.gz IZOJCCMCPPHGIE-NWDGAFQWSA-N 1 0 347.375 1.805 20 5 EDBDRO C[C@@H](CN1CCOCC1)N(C)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000278854566 443462247 /nfs/dbraw/zinc/46/22/47/443462247.db2.gz MDBOFXJVYWQQDU-LBPRGKRZSA-N 1 0 348.403 1.636 20 5 EDBDRO CC(C)(C)[C@H](CO)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000278856306 443463074 /nfs/dbraw/zinc/46/30/74/443463074.db2.gz RSKXSVXPKLRJCZ-ZDUSSCGKSA-N 1 0 339.348 1.259 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)Cn1cccn1 ZINC000265025916 443511925 /nfs/dbraw/zinc/51/19/25/443511925.db2.gz FNFBWLRAPQAFLI-GFCCVEGCSA-N 1 0 347.375 1.807 20 5 EDBDRO CC(C)[C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@H](C)[NH3+] ZINC000423423479 319774055 /nfs/dbraw/zinc/77/40/55/319774055.db2.gz ZVWDMVKXTCVENM-HUBLWGQQSA-N 1 0 335.408 1.622 20 5 EDBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423641135 319797046 /nfs/dbraw/zinc/79/70/46/319797046.db2.gz WFQSJAZYRTZHON-CYBMUJFWSA-N 1 0 348.403 1.113 20 5 EDBDRO C[C@H](Cn1cccn1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272941648 443496079 /nfs/dbraw/zinc/49/60/79/443496079.db2.gz NOPZBYGLKDYKLZ-GFCCVEGCSA-N 1 0 338.389 1.243 20 5 EDBDRO C[N@@H+]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000265332345 443608767 /nfs/dbraw/zinc/60/87/67/443608767.db2.gz YTDCLSHCFWFSTD-UHFFFAOYSA-N 1 0 330.344 1.626 20 5 EDBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000440079560 320061654 /nfs/dbraw/zinc/06/16/54/320061654.db2.gz OLJSZWFDYFQHDY-ZDUSSCGKSA-N 1 0 343.449 1.787 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@]2(C)CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000440854322 320083780 /nfs/dbraw/zinc/08/37/80/320083780.db2.gz BTQNKGFRTHZWHW-OAHLLOKOSA-N 1 0 341.433 1.880 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000449201104 320178076 /nfs/dbraw/zinc/17/80/76/320178076.db2.gz HZIZKGIDJVNNAF-KBPBESRZSA-N 1 0 333.388 1.822 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000452112725 320242211 /nfs/dbraw/zinc/24/22/11/320242211.db2.gz GWAPADBTUNXAIT-MRXNPFEDSA-N 1 0 346.431 1.898 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000453322210 320262800 /nfs/dbraw/zinc/26/28/00/320262800.db2.gz ADWNXTMKOALDRN-QKPAOTATSA-N 1 0 349.435 1.728 20 5 EDBDRO CNc1nc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000456054473 320305820 /nfs/dbraw/zinc/30/58/20/320305820.db2.gz CVEJRESRYLHANG-LBPRGKRZSA-N 1 0 347.419 1.978 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000490047330 320362580 /nfs/dbraw/zinc/36/25/80/320362580.db2.gz VVWULJNXENCTMD-MRXNPFEDSA-N 1 0 341.367 1.934 20 5 EDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@H+]1CCCO ZINC000493659171 320396611 /nfs/dbraw/zinc/39/66/11/320396611.db2.gz LFGQTAHHSIFOAM-YXMGTMDOSA-N 1 0 333.388 1.571 20 5 EDBDRO COC(=O)c1cnc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000276710282 443799042 /nfs/dbraw/zinc/79/90/42/443799042.db2.gz JGKPBECEJKJTTM-YPMHNXCESA-N 1 0 334.376 1.697 20 5 EDBDRO COc1ccc(NC(=O)CC[N@H+](C)C(C)(C)C(N)=O)c([N+](=O)[O-])c1 ZINC000298475902 443777317 /nfs/dbraw/zinc/77/73/17/443777317.db2.gz SQCQJUVKNZRSOQ-UHFFFAOYSA-N 1 0 338.364 1.128 20 5 EDBDRO CNc1ccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000530619284 320633231 /nfs/dbraw/zinc/63/32/31/320633231.db2.gz NHMYKWSZJAYCEC-UHFFFAOYSA-N 1 0 348.403 1.573 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000285344032 443949856 /nfs/dbraw/zinc/94/98/56/443949856.db2.gz TWGKSSHXAUBIAU-HUUCEWRRSA-N 1 0 335.360 1.149 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000285260613 443915818 /nfs/dbraw/zinc/91/58/18/443915818.db2.gz MLDHUFKPSRLLEM-KBKYZLAFSA-N 1 0 331.372 1.540 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000299539002 444074134 /nfs/dbraw/zinc/07/41/34/444074134.db2.gz UBEDWAMZBXRVSM-OLZOCXBDSA-N 1 0 337.424 1.726 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000299547941 444076502 /nfs/dbraw/zinc/07/65/02/444076502.db2.gz VNSCGQNIEFPXTN-UHFFFAOYSA-N 1 0 348.403 1.233 20 5 EDBDRO C[C@@H](Cc1cnn(C)c1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000564858356 321152118 /nfs/dbraw/zinc/15/21/18/321152118.db2.gz FRBKFJCBKOOFBT-LBPRGKRZSA-N 1 0 331.376 1.878 20 5 EDBDRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000564930616 321158571 /nfs/dbraw/zinc/15/85/71/321158571.db2.gz VMIAHUWSCFMBLX-VNHYZAJKSA-N 1 0 347.419 1.910 20 5 EDBDRO Cn1cc(CCC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000566109422 321216099 /nfs/dbraw/zinc/21/60/99/321216099.db2.gz PGYJUNMNJPPPQK-OAHLLOKOSA-N 1 0 334.376 1.290 20 5 EDBDRO COC(=O)[C@H]1CN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000568970623 321312791 /nfs/dbraw/zinc/31/27/91/321312791.db2.gz PLAYAILQZOWDOF-TZMCWYRMSA-N 1 0 349.387 1.262 20 5 EDBDRO COc1ccc(NC(=O)CN2CCC(CC[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000569491830 321328181 /nfs/dbraw/zinc/32/81/81/321328181.db2.gz CKQANRNMVPRPJK-UHFFFAOYSA-N 1 0 336.392 1.603 20 5 EDBDRO CC[C@H](C)[C@@H](O)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570515413 321344124 /nfs/dbraw/zinc/34/41/24/321344124.db2.gz HGLWWXVANJRHAW-FZMZJTMJSA-N 1 0 330.406 1.365 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)n1 ZINC000570954739 321366738 /nfs/dbraw/zinc/36/67/38/321366738.db2.gz OIDOSVRPDUMZEB-UHFFFAOYSA-N 1 0 333.323 1.848 20 5 EDBDRO CCN(CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C)c1 ZINC000572713887 321435923 /nfs/dbraw/zinc/43/59/23/321435923.db2.gz LMPAEVSZVQSHQI-KRWDZBQOSA-N 1 0 347.419 1.577 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)[C@H]2C1 ZINC000285885741 444141506 /nfs/dbraw/zinc/14/15/06/444141506.db2.gz SBHZMBBQMNSQER-DZGCQCFKSA-N 1 0 345.355 1.886 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000289452326 444148080 /nfs/dbraw/zinc/14/80/80/444148080.db2.gz FTRZIALTXUISRL-LLVKDONJSA-N 1 0 345.421 1.610 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(c3ccc(F)cc3)CC2)c1 ZINC000574559664 321489642 /nfs/dbraw/zinc/48/96/42/321489642.db2.gz DCCNSCRIWSYNFU-OAHLLOKOSA-N 1 0 334.351 1.613 20 5 EDBDRO CCOc1cc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000574757875 321499309 /nfs/dbraw/zinc/49/93/09/321499309.db2.gz LQPDNAYMYANFKO-UWVGGRQHSA-N 1 0 325.365 1.858 20 5 EDBDRO CC(C)C[N@@H+]1CC[C@H](CNc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000301599850 444181316 /nfs/dbraw/zinc/18/13/16/444181316.db2.gz IGGDSCUFYGTWQR-CYBMUJFWSA-N 1 0 345.403 1.993 20 5 EDBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC000301691911 444185450 /nfs/dbraw/zinc/18/54/50/444185450.db2.gz YZXZTVQGNZHFDE-OLZOCXBDSA-N 1 0 342.193 1.877 20 5 EDBDRO C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@@H]1c1ccc(F)cc1 ZINC000301817404 444191795 /nfs/dbraw/zinc/19/17/95/444191795.db2.gz FDBVWELGJJLTOZ-AAEUAGOBSA-N 1 0 332.339 1.963 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000305650664 444271653 /nfs/dbraw/zinc/27/16/53/444271653.db2.gz DFCRAZSMMLEUFT-CQSZACIVSA-N 1 0 335.404 1.870 20 5 EDBDRO CCN(CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000314596364 444301290 /nfs/dbraw/zinc/30/12/90/444301290.db2.gz RRUIGURYDFAYDY-UHFFFAOYSA-N 1 0 329.422 1.399 20 5 EDBDRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000325785586 444369686 /nfs/dbraw/zinc/36/96/86/444369686.db2.gz HTKAHXVOYTZLHP-CPUCHLNUSA-N 1 0 333.388 1.744 20 5 EDBDRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000578768857 321829205 /nfs/dbraw/zinc/82/92/05/321829205.db2.gz YADVKPUKQPGXBB-OAHLLOKOSA-N 1 0 344.375 1.051 20 5 EDBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000331526797 444475581 /nfs/dbraw/zinc/47/55/81/444475581.db2.gz OTVFSVGIOHNJKY-IINYFYTJSA-N 1 0 325.390 1.356 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000580067965 322005013 /nfs/dbraw/zinc/00/50/13/322005013.db2.gz QGONOQZABVVSOO-AAEUAGOBSA-N 1 0 341.433 1.918 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCOc2ccc(F)cc2)c1 ZINC000581066522 322130990 /nfs/dbraw/zinc/13/09/90/322130990.db2.gz NNVXOFQZUUQZTE-CQSZACIVSA-N 1 0 338.339 1.350 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000581835478 322223098 /nfs/dbraw/zinc/22/30/98/322223098.db2.gz AZKXHJGQANGVDK-NEPJUHHUSA-N 1 0 327.406 1.569 20 5 EDBDRO CNC(=O)[C@@H](CCSC)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000342321513 444629288 /nfs/dbraw/zinc/62/92/88/444629288.db2.gz LNRLHAJFYNLDKA-LLVKDONJSA-N 1 0 327.406 1.561 20 5 EDBDRO CCOC(=O)c1cc(NCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000343836385 444618955 /nfs/dbraw/zinc/61/89/55/444618955.db2.gz HGFACMBGMUNPKM-UHFFFAOYSA-N 1 0 336.392 1.431 20 5 EDBDRO CCc1nn(C)c(N(C)CCC[N@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000341036113 444644431 /nfs/dbraw/zinc/64/44/31/444644431.db2.gz CKJCNHHUSUEXNZ-UHFFFAOYSA-N 1 0 326.445 1.210 20 5 EDBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)c(Cl)c1 ZINC000341253858 444750574 /nfs/dbraw/zinc/75/05/74/444750574.db2.gz NHFIEUKWPXTZJF-UHFFFAOYSA-N 1 0 348.808 1.278 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338592366 444762723 /nfs/dbraw/zinc/76/27/23/444762723.db2.gz DSNMRHQZMMOWKU-HNNXBMFYSA-N 1 0 341.339 1.338 20 5 EDBDRO COCC[NH+]1CCC(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342886313 444919130 /nfs/dbraw/zinc/91/91/30/444919130.db2.gz GXRBGKPXMWPIKF-UHFFFAOYSA-N 1 0 346.387 1.917 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000344432169 444966290 /nfs/dbraw/zinc/96/62/90/444966290.db2.gz SRJQGJGWNDJYAW-YPMHNXCESA-N 1 0 334.376 1.441 20 5 EDBDRO CC[NH+]1C[C@@H](C)N(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000344440764 444973888 /nfs/dbraw/zinc/97/38/88/444973888.db2.gz YAQGELGVNZNVPU-ZIAGYGMSSA-N 1 0 334.420 1.972 20 5 EDBDRO C[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1C ZINC000330589694 445050271 /nfs/dbraw/zinc/05/02/71/445050271.db2.gz NOGSSERPNKZBDS-OLZOCXBDSA-N 1 0 348.403 1.266 20 5 EDBDRO C[C@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000330663890 445086338 /nfs/dbraw/zinc/08/63/38/445086338.db2.gz FKMGNHFCLITWDT-JTQLQIEISA-N 1 0 326.784 1.823 20 5 EDBDRO C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C(=O)NCC[NH+]1CCCCC1 ZINC000339218245 445095152 /nfs/dbraw/zinc/09/51/52/445095152.db2.gz VCOKJIJOLOSYDB-ZDUSSCGKSA-N 1 0 348.403 1.315 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343165516 445109467 /nfs/dbraw/zinc/10/94/67/445109467.db2.gz RAZFXAULRBDIRZ-DOMZBBRYSA-N 1 0 335.408 1.021 20 5 EDBDRO NC(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343518907 445237600 /nfs/dbraw/zinc/23/76/00/445237600.db2.gz CBFJSHLRCQLPLS-QWHCGFSZSA-N 1 0 337.376 1.064 20 5 EDBDRO CO[C@H]1C[C@H](CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)[N@H+](C)C1 ZINC000343579581 445249975 /nfs/dbraw/zinc/24/99/75/445249975.db2.gz KDNFLUGJDQBGRD-NEPJUHHUSA-N 1 0 340.355 1.917 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351854777 445344502 /nfs/dbraw/zinc/34/45/02/445344502.db2.gz RMJVCAYPTMTIFD-SDDRHHMPSA-N 1 0 336.392 1.600 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000359789089 445429070 /nfs/dbraw/zinc/42/90/70/445429070.db2.gz IFYRNAXVPKNSMQ-LBPRGKRZSA-N 1 0 335.339 1.500 20 5 EDBDRO O=c1ccc(N2CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000362834832 445572755 /nfs/dbraw/zinc/57/27/55/445572755.db2.gz VIIIQSKWCWKAPV-UHFFFAOYSA-N 1 0 333.323 1.552 20 5 EDBDRO O=C1[C@@H]([NH2+][C@H]2CCc3nccn3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000363069739 445666119 /nfs/dbraw/zinc/66/61/19/445666119.db2.gz YOFJFJNXNJWNCV-WFASDCNBSA-N 1 0 341.371 1.501 20 5 EDBDRO Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000363183145 445711866 /nfs/dbraw/zinc/71/18/66/445711866.db2.gz OKAIPCXNSJHKDS-UONOGXRCSA-N 1 0 334.376 1.888 20 5 EDBDRO COc1c(C(=O)NC2(CCO)CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000356635643 445900998 /nfs/dbraw/zinc/90/09/98/445900998.db2.gz SOXJKLGHRCCPLC-UHFFFAOYSA-N 1 0 337.376 1.180 20 5 EDBDRO CC(C)c1ccc(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000582566843 325875910 /nfs/dbraw/zinc/87/59/10/325875910.db2.gz GQAMMFBIDJXNEP-GOSISDBHSA-N 1 0 347.415 1.905 20 5 EDBDRO O=Cc1ccc(OCC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000369132436 445945986 /nfs/dbraw/zinc/94/59/86/445945986.db2.gz NRBGDXUACWNJGG-KGLIPLIRSA-N 1 0 347.371 1.529 20 5 EDBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000354223550 446019852 /nfs/dbraw/zinc/01/98/52/446019852.db2.gz LIKJUBLSGWKVKO-SWLSCSKDSA-N 1 0 334.420 1.998 20 5 EDBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](Oc2ccncc2)C1 ZINC000361899798 446048841 /nfs/dbraw/zinc/04/88/41/446048841.db2.gz DFZJWSDUHKDTPP-LBPRGKRZSA-N 1 0 330.300 1.384 20 5 EDBDRO COc1cc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])ccc1O ZINC000583317294 326048547 /nfs/dbraw/zinc/04/85/47/326048547.db2.gz CFZROPFVGFGRDZ-ZDUSSCGKSA-N 1 0 348.355 1.839 20 5 EDBDRO CC(C)C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000583495675 326083976 /nfs/dbraw/zinc/08/39/76/326083976.db2.gz PGIDRUCQOJYVEP-NWANDNLSSA-N 1 0 326.397 1.336 20 5 EDBDRO CO[C@H]1CCC[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583867134 326154874 /nfs/dbraw/zinc/15/48/74/326154874.db2.gz SXLOMENTFOCCPY-DOMZBBRYSA-N 1 0 342.417 1.773 20 5 EDBDRO CO[C@@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C[NH3+])C1 ZINC000359240973 446072924 /nfs/dbraw/zinc/07/29/24/446072924.db2.gz ZFGPAJRIDSOBIT-WDEREUQCSA-N 1 0 333.348 1.049 20 5 EDBDRO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000373248311 446121468 /nfs/dbraw/zinc/12/14/68/446121468.db2.gz XCPCIHPZZKPJGZ-KBPBESRZSA-N 1 0 349.435 1.933 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](O)c2ccccc2C1 ZINC000373251076 446124736 /nfs/dbraw/zinc/12/47/36/446124736.db2.gz BXUIRAQYFLPBBJ-INIZCTEOSA-N 1 0 329.356 1.696 20 5 EDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000362031159 446167002 /nfs/dbraw/zinc/16/70/02/446167002.db2.gz ZTQFJXGZGOBHHU-TUKIKUTGSA-N 1 0 337.376 1.705 20 5 EDBDRO CCn1nc2c(cc1=O)C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000366706216 446317441 /nfs/dbraw/zinc/31/74/41/446317441.db2.gz BUNWWLYGYMEHKT-INIZCTEOSA-N 1 0 344.371 1.263 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2Cn2ccnn2)c1 ZINC000370706401 446395640 /nfs/dbraw/zinc/39/56/40/446395640.db2.gz BESFOPQQZXPPQU-CVEARBPZSA-N 1 0 331.376 1.774 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CCC[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000420244529 446429317 /nfs/dbraw/zinc/42/93/17/446429317.db2.gz DOCKCBUDORZKHG-MRXNPFEDSA-N 1 0 334.376 1.665 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1C[NH2+]CCN1C ZINC000420285468 446451079 /nfs/dbraw/zinc/45/10/79/446451079.db2.gz ZGASNJPPSOWVCZ-JTQLQIEISA-N 1 0 342.783 1.350 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000370730381 446407456 /nfs/dbraw/zinc/40/74/56/446407456.db2.gz NPDNKRJBQVKETO-IUCAKERBSA-N 1 0 337.760 1.227 20 5 EDBDRO C[C@H]([NH3+])C1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000420294353 446457047 /nfs/dbraw/zinc/45/70/47/446457047.db2.gz OKHADAVDAJBBEY-LBPRGKRZSA-N 1 0 341.433 1.428 20 5 EDBDRO CCCN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000420295075 446457081 /nfs/dbraw/zinc/45/70/81/446457081.db2.gz OYVVAKLPGLCFGY-CQSZACIVSA-N 1 0 341.433 1.442 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000376398528 446473900 /nfs/dbraw/zinc/47/39/00/446473900.db2.gz GYNPUBDQAOEWJZ-PEYYIBSZSA-N 1 0 330.388 1.733 20 5 EDBDRO CO[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000420314738 446480390 /nfs/dbraw/zinc/48/03/90/446480390.db2.gz WFKIECOOIKMNIJ-GJZGRUSLSA-N 1 0 336.392 1.362 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N(C)CC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000411394534 446516523 /nfs/dbraw/zinc/51/65/23/446516523.db2.gz BYCBIOGQOVZAMT-UHFFFAOYSA-N 1 0 334.376 1.396 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCN(c3ncccn3)CC2)c1 ZINC000371000823 446565904 /nfs/dbraw/zinc/56/59/04/446565904.db2.gz XWZHKCVQWKPZMN-INIZCTEOSA-N 1 0 343.387 1.631 20 5 EDBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1 ZINC000423501430 446556681 /nfs/dbraw/zinc/55/66/81/446556681.db2.gz CTJGGYJVIWZGHU-CQSZACIVSA-N 1 0 349.387 1.986 20 5 EDBDRO COc1ccc(OCCN2CCCO[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420393732 446569190 /nfs/dbraw/zinc/56/91/90/446569190.db2.gz QVTKSYIRQPYWNN-CYBMUJFWSA-N 1 0 325.365 1.032 20 5 EDBDRO Cc1cc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000375092145 446574248 /nfs/dbraw/zinc/57/42/48/446574248.db2.gz XIFOABIEKCAYMP-ZDUSSCGKSA-N 1 0 348.403 1.952 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2CCC[C@@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000423602608 446598209 /nfs/dbraw/zinc/59/82/09/446598209.db2.gz FNXLLMZNBQSZFP-ZDUSSCGKSA-N 1 0 348.403 1.220 20 5 EDBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000420424555 446598919 /nfs/dbraw/zinc/59/89/19/446598919.db2.gz QDRJYZCCLVSKMA-UKRRQHHQSA-N 1 0 339.417 1.151 20 5 EDBDRO COc1cc(CN2CCC[C@H]3C(=O)N(C)C[C@H]32)c([N+](=O)[O-])cc1OC ZINC000375238314 446662482 /nfs/dbraw/zinc/66/24/82/446662482.db2.gz CQIHHRCNBMNMBD-TZMCWYRMSA-N 1 0 349.387 1.665 20 5 EDBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418750283 446669440 /nfs/dbraw/zinc/66/94/40/446669440.db2.gz DGLHMLCWQVTLOI-CYBMUJFWSA-N 1 0 340.330 1.660 20 5 EDBDRO C[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000418778922 446696701 /nfs/dbraw/zinc/69/67/01/446696701.db2.gz JGWCPMROGKJRDG-LNSITVRQSA-N 1 0 348.403 1.406 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000375301464 446703638 /nfs/dbraw/zinc/70/36/38/446703638.db2.gz GOAOAEXURLFEGD-YOEHRIQHSA-N 1 0 346.387 1.489 20 5 EDBDRO CN(C[C@H]1CCCN1C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420628021 446708872 /nfs/dbraw/zinc/70/88/72/446708872.db2.gz AECUPAYDMFWGIB-SECBINFHSA-N 1 0 333.435 1.590 20 5 EDBDRO O=C1[C@H]([N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000412031495 446792715 /nfs/dbraw/zinc/79/27/15/446792715.db2.gz ATOSAHQUFSEMCL-NSNWQYSKSA-N 1 0 345.399 1.793 20 5 EDBDRO Nc1c(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cccc1[N+](=O)[O-] ZINC000368544965 446934275 /nfs/dbraw/zinc/93/42/75/446934275.db2.gz STXMFQFSDMOPQA-UBHSHLNASA-N 1 0 330.388 1.733 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2C[C@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000442766937 446959121 /nfs/dbraw/zinc/95/91/21/446959121.db2.gz XQVOJHOWQUOQTM-WOPDTQHZSA-N 1 0 336.392 1.600 20 5 EDBDRO C[C@H](NC(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000419144898 446959166 /nfs/dbraw/zinc/95/91/66/446959166.db2.gz GYIRUFJKYXAFHO-LOWVWBTDSA-N 1 0 334.376 1.029 20 5 EDBDRO CN(CC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000425059097 447007091 /nfs/dbraw/zinc/00/70/91/447007091.db2.gz QKROWIDGMSIALN-XJKSGUPXSA-N 1 0 332.404 1.584 20 5 EDBDRO COc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc([N+](=O)[O-])c1OC ZINC000425059597 447007258 /nfs/dbraw/zinc/00/72/58/447007258.db2.gz RZEJWQBXYWTDJK-SMDDNHRTSA-N 1 0 349.387 1.778 20 5 EDBDRO CCCN(C(=O)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000419159837 446976078 /nfs/dbraw/zinc/97/60/78/446976078.db2.gz ZTNQDBPVHGTPRS-QWHCGFSZSA-N 1 0 348.403 1.373 20 5 EDBDRO CC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000419167540 446983745 /nfs/dbraw/zinc/98/37/45/446983745.db2.gz PPWPCVAPEASITG-KGLIPLIRSA-N 1 0 334.376 1.016 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000443367584 447042942 /nfs/dbraw/zinc/04/29/42/447042942.db2.gz IBRBLZZLTKJTCU-OCCSQVGLSA-N 1 0 348.403 1.865 20 5 EDBDRO CNc1nc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000455160214 447067047 /nfs/dbraw/zinc/06/70/47/447067047.db2.gz IRMNXJPFQCPAST-GFCCVEGCSA-N 1 0 335.408 1.882 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000375818755 447078652 /nfs/dbraw/zinc/07/86/52/447078652.db2.gz WZNMXAZUBMPCNZ-CGTJXYLNSA-N 1 0 349.431 1.893 20 5 EDBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000377537733 447189541 /nfs/dbraw/zinc/18/95/41/447189541.db2.gz NPSTUOYYKKTJAK-BXUZGUMPSA-N 1 0 349.391 1.002 20 5 EDBDRO COc1cc(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000372732627 447254090 /nfs/dbraw/zinc/25/40/90/447254090.db2.gz QKQXTRVMUNRUKI-LBPRGKRZSA-N 1 0 337.376 1.132 20 5 EDBDRO CNc1c(C(=O)N[C@H](CO)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000413814968 447254340 /nfs/dbraw/zinc/25/43/40/447254340.db2.gz JEQNIFVBWFOIER-LBPRGKRZSA-N 1 0 336.392 1.213 20 5 EDBDRO C[NH+](C)C1CCC(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000421681093 447216716 /nfs/dbraw/zinc/21/67/16/447216716.db2.gz VUKQURUIKGEVHP-UHFFFAOYSA-N 1 0 335.360 1.926 20 5 EDBDRO O=C(CC[N@@H+]1CC[C@@H](c2nnc[nH]2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000425550395 447225730 /nfs/dbraw/zinc/22/57/30/447225730.db2.gz PESXSCAAJSSDBP-LLVKDONJSA-N 1 0 330.348 1.531 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369029924 447276741 /nfs/dbraw/zinc/27/67/41/447276741.db2.gz ZZYIZDASAZMUIM-HOTGVXAUSA-N 1 0 348.403 1.300 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369029926 447277189 /nfs/dbraw/zinc/27/71/89/447277189.db2.gz ZZYIZDASAZMUIM-JKSUJKDBSA-N 1 0 348.403 1.300 20 5 EDBDRO COc1ccc(OCC[N@@H+]2CC[C@H]3C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000377665838 447282105 /nfs/dbraw/zinc/28/21/05/447282105.db2.gz BOBSNPKQUUEIMS-WCQYABFASA-N 1 0 335.360 1.050 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000416553577 447645659 /nfs/dbraw/zinc/64/56/59/447645659.db2.gz CLTPRCGEDLNIQV-CYBMUJFWSA-N 1 0 341.433 1.913 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)n1 ZINC000427683008 447632855 /nfs/dbraw/zinc/63/28/55/447632855.db2.gz QBHIDXBFEYBSSR-KBPBESRZSA-N 1 0 343.387 1.639 20 5 EDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[C@H]1CCC[NH2+]C1 ZINC000420191187 447663755 /nfs/dbraw/zinc/66/37/55/447663755.db2.gz HJDISNAGKVLIJZ-LLVKDONJSA-N 1 0 327.406 1.800 20 5 EDBDRO C[C@@]1(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CCC[NH2+]C1 ZINC000420228240 447679109 /nfs/dbraw/zinc/67/91/09/447679109.db2.gz KVXOZBDYCPVJSY-CYBMUJFWSA-N 1 0 328.394 1.044 20 5 EDBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451254581 447712941 /nfs/dbraw/zinc/71/29/41/447712941.db2.gz LRVKOBPWLVRXBF-ZFWWWQNUSA-N 1 0 333.388 1.577 20 5 EDBDRO COc1cc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc([N+](=O)[O-])c1OC ZINC000429171947 447733627 /nfs/dbraw/zinc/73/36/27/447733627.db2.gz PTDVYOMPKMTAAQ-GWCFXTLKSA-N 1 0 337.376 1.811 20 5 EDBDRO CC[NH2+]CC1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000430553252 447776911 /nfs/dbraw/zinc/77/69/11/447776911.db2.gz OFAPRAPGKOFYSG-UHFFFAOYSA-N 1 0 346.431 1.805 20 5 EDBDRO CNc1nccc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000576050467 447960070 /nfs/dbraw/zinc/96/00/70/447960070.db2.gz HVTGFJKJHPMZBH-YVEFUNNKSA-N 1 0 349.435 2.272 20 5 EDBDRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000525186902 447973630 /nfs/dbraw/zinc/97/36/30/447973630.db2.gz PMQVKOKIBYKLCB-UHFFFAOYSA-N 1 0 342.421 1.531 20 5 EDBDRO Cc1n[nH]c(C(=O)N(C)CCC[N@H+](C)Cc2ccncc2)c1[N+](=O)[O-] ZINC000556933800 448173588 /nfs/dbraw/zinc/17/35/88/448173588.db2.gz OEPGJNQXMSOMFG-UHFFFAOYSA-N 1 0 346.391 1.615 20 5 EDBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])C1 ZINC000514613243 448174478 /nfs/dbraw/zinc/17/44/78/448174478.db2.gz DBFLPAQGCZYSSL-LBPRGKRZSA-N 1 0 335.408 1.835 20 5 EDBDRO CNc1nccc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000557522950 448185534 /nfs/dbraw/zinc/18/55/34/448185534.db2.gz HBYOKIHDLJIOBD-NWDGAFQWSA-N 1 0 335.408 1.882 20 5 EDBDRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000527459310 448230399 /nfs/dbraw/zinc/23/03/99/448230399.db2.gz NTPJRMFFVVPUBV-JTQLQIEISA-N 1 0 338.339 1.130 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000577280442 448256691 /nfs/dbraw/zinc/25/66/91/448256691.db2.gz SDFPNJIQUHASTI-UHFFFAOYSA-N 1 0 329.360 1.482 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591304280 448315914 /nfs/dbraw/zinc/31/59/14/448315914.db2.gz AMHOHGAMZOSUTM-SWLSCSKDSA-N 1 0 346.387 1.306 20 5 EDBDRO COC[C@]1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC[NH2+]1 ZINC000591279593 448305496 /nfs/dbraw/zinc/30/54/96/448305496.db2.gz AEFXZQMPNAANEF-MRXNPFEDSA-N 1 0 337.376 1.224 20 5 EDBDRO COc1ccc(CC(=O)N2CCC3(CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000577629990 448347468 /nfs/dbraw/zinc/34/74/68/448347468.db2.gz ZBNUELALVYLPCD-UHFFFAOYSA-N 1 0 333.388 1.748 20 5 EDBDRO COc1ccc(CC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000591684155 448450831 /nfs/dbraw/zinc/45/08/31/448450831.db2.gz QVNCOFUTUACIOE-QGZVFWFLSA-N 1 0 333.388 1.748 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)COC1CCOCC1 ZINC000591727723 448473888 /nfs/dbraw/zinc/47/38/88/448473888.db2.gz VDIWJQXWUBDGNR-AWEZNQCLSA-N 1 0 340.376 1.250 20 5 EDBDRO CC[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1cccc(C)c1 ZINC000591749015 448480751 /nfs/dbraw/zinc/48/07/51/448480751.db2.gz ATNSXQRPGKKEDB-HZPDHXFCSA-N 1 0 348.403 1.908 20 5 EDBDRO COCC[C@H](C)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591770717 448488525 /nfs/dbraw/zinc/48/85/25/448488525.db2.gz LBVRMKKNUPQVSH-LBPRGKRZSA-N 1 0 330.406 1.631 20 5 EDBDRO COCC[C@@]1([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCOC1 ZINC000517845577 448621942 /nfs/dbraw/zinc/62/19/42/448621942.db2.gz TUQGAZPDTHXONR-QGZVFWFLSA-N 1 0 349.387 1.269 20 5 EDBDRO C[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1CCO ZINC000517541899 448590283 /nfs/dbraw/zinc/59/02/83/448590283.db2.gz NAYLEMPBEKGOFL-OLZOCXBDSA-N 1 0 336.392 1.191 20 5 EDBDRO CCC[NH+]1CCC(CNC(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000518212577 448656141 /nfs/dbraw/zinc/65/61/41/448656141.db2.gz GMJOXYDWDGRVOF-UHFFFAOYSA-N 1 0 335.408 1.883 20 5 EDBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1(OCCO)CCOCC1 ZINC000584849755 448656654 /nfs/dbraw/zinc/65/66/54/448656654.db2.gz KNGZUBJKJYLAEX-OAHLLOKOSA-N 1 0 336.388 1.730 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC[C@H]2CCc3ccccc3N2)c1 ZINC000573597513 448668214 /nfs/dbraw/zinc/66/82/14/448668214.db2.gz UEUSUWPULQIDEV-GDBMZVCRSA-N 1 0 345.403 1.559 20 5 EDBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000584791667 448634827 /nfs/dbraw/zinc/63/48/27/448634827.db2.gz DVIBRADBMLRVRO-CYBMUJFWSA-N 1 0 329.360 1.570 20 5 EDBDRO CC(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1(CO)CC=CC1 ZINC000592176424 448723812 /nfs/dbraw/zinc/72/38/12/448723812.db2.gz WXNKOOBMLZSQPH-MRXNPFEDSA-N 1 0 335.404 1.699 20 5 EDBDRO COC(=O)c1nn(C)c(C)c1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000567668172 448730694 /nfs/dbraw/zinc/73/06/94/448730694.db2.gz LSWAUDUFJUASEP-UHFFFAOYSA-N 1 0 348.359 1.592 20 5 EDBDRO Cc1ccc(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000592211566 448750152 /nfs/dbraw/zinc/75/01/52/448750152.db2.gz SWOGJHXJWLTDTR-LBPRGKRZSA-N 1 0 349.391 1.487 20 5 EDBDRO CN(C)[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000579278311 448758868 /nfs/dbraw/zinc/75/88/68/448758868.db2.gz PALYEMPHFNFLSJ-HIFRSBDPSA-N 1 0 349.387 1.820 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000592381260 448813933 /nfs/dbraw/zinc/81/39/33/448813933.db2.gz CZOHOPCQUGZHKK-CHWSQXEVSA-N 1 0 339.417 1.584 20 5 EDBDRO Cc1cc(C[C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000574071873 448785638 /nfs/dbraw/zinc/78/56/38/448785638.db2.gz NLUPWQBXIMVTPA-RISCZKNCSA-N 1 0 334.376 1.587 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000592384909 448816544 /nfs/dbraw/zinc/81/65/44/448816544.db2.gz HNORCCDUOXWXHU-NSHDSACASA-N 1 0 343.405 1.399 20 5 EDBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000592431289 448833260 /nfs/dbraw/zinc/83/32/60/448833260.db2.gz QHGHNNQARJRLHM-PELKAZGASA-N 1 0 335.282 1.825 20 5 EDBDRO Cn1c2cc([N+](=O)[O-])c(N3CC[C@H]([NH+]4CC=CC4)C3)cc2n(C)c1=O ZINC000587985918 448850604 /nfs/dbraw/zinc/85/06/04/448850604.db2.gz GYIZEFFZPWYWPD-LBPRGKRZSA-N 1 0 343.387 1.236 20 5 EDBDRO CC(C)[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC[N@@H+]1C ZINC000588032330 448860558 /nfs/dbraw/zinc/86/05/58/448860558.db2.gz ICFALZKOMAOSCS-MRXNPFEDSA-N 1 0 347.419 1.562 20 5 EDBDRO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000592562160 448901352 /nfs/dbraw/zinc/90/13/52/448901352.db2.gz FNTAUHMTVXGBNU-LLVKDONJSA-N 1 0 326.303 1.119 20 5 EDBDRO C[C@H](C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)S(C)(=O)=O ZINC000568752766 448914677 /nfs/dbraw/zinc/91/46/77/448914677.db2.gz PRPQDCANBHHZBQ-SNVBAGLBSA-N 1 0 325.390 1.641 20 5 EDBDRO C[C@@H]1[C@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[N@@H+]1C ZINC000592752506 448970135 /nfs/dbraw/zinc/97/01/35/448970135.db2.gz HJFKJIQIHCRHHK-CZUORRHYSA-N 1 0 332.404 1.584 20 5 EDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000588866515 448943404 /nfs/dbraw/zinc/94/34/04/448943404.db2.gz KREQTGXWDPKHAS-GHMZBOCLSA-N 1 0 327.406 1.114 20 5 EDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588864071 448943566 /nfs/dbraw/zinc/94/35/66/448943566.db2.gz ZYSUEAJYXOVWFL-JKSUJKDBSA-N 1 0 333.388 1.195 20 5 EDBDRO COc1cc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000592898950 449042905 /nfs/dbraw/zinc/04/29/05/449042905.db2.gz OQYGRTGZCGPOGE-UHFFFAOYSA-N 1 0 349.387 1.540 20 5 EDBDRO Cc1cncc(CC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000593020769 449104635 /nfs/dbraw/zinc/10/46/35/449104635.db2.gz WLJNXXDWNYOYFZ-AWEZNQCLSA-N 1 0 328.376 1.817 20 5 EDBDRO C[C@@]1(c2cccc(F)c2)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000593046601 449112542 /nfs/dbraw/zinc/11/25/42/449112542.db2.gz PPFZWJDYTLSWBU-DLBZAZTESA-N 1 0 348.378 1.955 20 5 EDBDRO CCN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C)C1 ZINC000597946334 449154166 /nfs/dbraw/zinc/15/41/66/449154166.db2.gz OMWNGSZLARKIMW-OAHLLOKOSA-N 1 0 348.403 1.267 20 5 EDBDRO O=C(C[NH2+][C@H]1C[C@@H](O)C12CCC2)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595777463 449159905 /nfs/dbraw/zinc/15/99/05/449159905.db2.gz HCUQSVWSHQMNLR-UONOGXRCSA-N 1 0 349.343 1.155 20 5 EDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CCC[N@H+]1CCCO ZINC000593731195 449165094 /nfs/dbraw/zinc/16/50/94/449165094.db2.gz UHBYTGDRNKTFRQ-CQSZACIVSA-N 1 0 339.367 1.239 20 5 EDBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000590387162 449142834 /nfs/dbraw/zinc/14/28/34/449142834.db2.gz FJBDTJNHEXOLBT-NSHDSACASA-N 1 0 339.417 1.982 20 5 EDBDRO Cc1ccc(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000590399942 449147230 /nfs/dbraw/zinc/14/72/30/449147230.db2.gz MVEJHQFODCONTJ-UHFFFAOYSA-N 1 0 332.404 1.223 20 5 EDBDRO Cc1ccc(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC000593131388 449147314 /nfs/dbraw/zinc/14/73/14/449147314.db2.gz JCZLCSYKNJLAEP-UHFFFAOYSA-N 1 0 349.391 1.141 20 5 EDBDRO CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H]1CC[N@H+](CC)C1 ZINC000598039072 449208949 /nfs/dbraw/zinc/20/89/49/449208949.db2.gz IFSVSWFRNZWTRT-GFCCVEGCSA-N 1 0 335.360 1.880 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000590566604 449195008 /nfs/dbraw/zinc/19/50/08/449195008.db2.gz LFSNLUNOCWNMDK-YGRLFVJLSA-N 1 0 335.360 1.546 20 5 EDBDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590658929 449235551 /nfs/dbraw/zinc/23/55/51/449235551.db2.gz REWORNSTEURDAP-BZNIZROVSA-N 1 0 338.360 1.507 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NC[C@@H]([NH3+])C(C)C)c1 ZINC000593903244 449274470 /nfs/dbraw/zinc/27/44/70/449274470.db2.gz UKXOTVYBAJEJBH-OAHLLOKOSA-N 1 0 345.403 1.861 20 5 EDBDRO O=C(NCCC1CC[NH2+]CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000593919256 449287218 /nfs/dbraw/zinc/28/72/18/449287218.db2.gz PKYPGUMONHMFED-UHFFFAOYSA-N 1 0 343.387 1.900 20 5 EDBDRO C[C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1CC[NH3+] ZINC000593933802 449296213 /nfs/dbraw/zinc/29/62/13/449296213.db2.gz DWQHCVMPELYXOD-ZYHUDNBSSA-N 1 0 335.360 1.913 20 5 EDBDRO O=C(NCC12CC(C1)C[NH2+]2)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000595989760 449299793 /nfs/dbraw/zinc/29/97/93/449299793.db2.gz UQOZJMDGOGLDMU-UHFFFAOYSA-N 1 0 344.415 1.679 20 5 EDBDRO CC(C)C[N@H+](C)CCCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000593480526 449303656 /nfs/dbraw/zinc/30/36/56/449303656.db2.gz RDHJQGQKUVRQOL-UHFFFAOYSA-N 1 0 344.437 1.632 20 5 EDBDRO COc1cc(CN2CCC([NH2+]CCO)CC2)c([N+](=O)[O-])cc1OC ZINC000602018978 449278817 /nfs/dbraw/zinc/27/88/17/449278817.db2.gz CXYSURXVMSFWBZ-UHFFFAOYSA-N 1 0 339.392 1.158 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000598342581 449357049 /nfs/dbraw/zinc/35/70/49/449357049.db2.gz LGGKHQCRUVDBKO-CQSZACIVSA-N 1 0 348.403 1.234 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000598342241 449357180 /nfs/dbraw/zinc/35/71/80/449357180.db2.gz LDSLYLXMABXLGF-CYBMUJFWSA-N 1 0 343.387 1.995 20 5 EDBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596125089 449375130 /nfs/dbraw/zinc/37/51/30/449375130.db2.gz ZKPCQUAGICEOIG-CYBMUJFWSA-N 1 0 335.408 1.302 20 5 EDBDRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593531237 449328992 /nfs/dbraw/zinc/32/89/92/449328992.db2.gz PNVGFQLJTBBGTG-NSHDSACASA-N 1 0 328.394 1.143 20 5 EDBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000596178818 449399675 /nfs/dbraw/zinc/39/96/75/449399675.db2.gz SKZQCIKKFZZHAZ-WDEREUQCSA-N 1 0 342.421 1.161 20 5 EDBDRO Cc1sc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000598455058 449404829 /nfs/dbraw/zinc/40/48/29/449404829.db2.gz ZLLBYRXGIOLUHQ-LBPRGKRZSA-N 1 0 339.417 1.636 20 5 EDBDRO C[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000594241595 449406630 /nfs/dbraw/zinc/40/66/30/449406630.db2.gz DIVMQFQWTMHKTC-LBPRGKRZSA-N 1 0 331.376 1.844 20 5 EDBDRO C[C@@H]1C[C@@H](Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000596144467 449383666 /nfs/dbraw/zinc/38/36/66/449383666.db2.gz FDXVLRMKDPYMRQ-KOLCDFICSA-N 1 0 328.394 1.137 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(N3CCC([N@@H+]4CCCOCC4)CC3)nn21 ZINC000596268204 449446812 /nfs/dbraw/zinc/44/68/12/449446812.db2.gz HSPJWVKFEGMIFR-UHFFFAOYSA-N 1 0 346.391 1.329 20 5 EDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000594353708 449463635 /nfs/dbraw/zinc/46/36/35/449463635.db2.gz DAFWMLKRRFPQQZ-CQSZACIVSA-N 1 0 341.383 1.485 20 5 EDBDRO CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[NH2+]1 ZINC000598572883 449471446 /nfs/dbraw/zinc/47/14/46/449471446.db2.gz MGXOYTDCZCFFJR-ZDUSSCGKSA-N 1 0 335.360 1.436 20 5 EDBDRO CCCC[N@H+](C)CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598595610 449482524 /nfs/dbraw/zinc/48/25/24/449482524.db2.gz KVNNXSYTTVHXGB-UHFFFAOYSA-N 1 0 338.412 1.365 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000600669269 449482821 /nfs/dbraw/zinc/48/28/21/449482821.db2.gz LBJPUSUSAPMFBZ-PJXYFTJBSA-N 1 0 325.390 1.084 20 5 EDBDRO C[C@@H]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000598668149 449529470 /nfs/dbraw/zinc/52/94/70/449529470.db2.gz LIUXPSHXYKVRRE-RISCZKNCSA-N 1 0 349.391 1.302 20 5 EDBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1ccn(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000598668989 449530463 /nfs/dbraw/zinc/53/04/63/449530463.db2.gz FFFMLRZDJYBYKY-SJCJKPOMSA-N 1 0 341.371 1.734 20 5 EDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])cc3c1OCCO3)C2 ZINC000598668582 449530649 /nfs/dbraw/zinc/53/06/49/449530649.db2.gz ATOJZAUEMTWTKT-HWPZZCPQSA-N 1 0 333.344 1.319 20 5 EDBDRO Cc1cccc2c1C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CO2 ZINC000600747359 449530738 /nfs/dbraw/zinc/53/07/38/449530738.db2.gz LDXIJNYHRBCEDI-TZMCWYRMSA-N 1 0 332.360 1.054 20 5 EDBDRO [NH3+][C@]12CCC[C@@H]1CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000598680394 449537890 /nfs/dbraw/zinc/53/78/90/449537890.db2.gz AQHYMJSMKLSPBO-DOMZBBRYSA-N 1 0 339.417 1.182 20 5 EDBDRO [NH3+][C@@]12CCC[C@@H]1CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000598681880 449539876 /nfs/dbraw/zinc/53/98/76/449539876.db2.gz JXXHWUXUNFPMMJ-MEBBXXQBSA-N 1 0 338.795 2.000 20 5 EDBDRO CN(CCC[NH+](C)C)CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000596423853 449495220 /nfs/dbraw/zinc/49/52/20/449495220.db2.gz DGLCBXPJJGJCGU-UHFFFAOYSA-N 1 0 348.407 1.539 20 5 EDBDRO [NH3+]C[C@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602429663 449580339 /nfs/dbraw/zinc/58/03/39/449580339.db2.gz WMZTYKQTBYSITF-MRVPVSSYSA-N 1 0 328.166 1.778 20 5 EDBDRO Cn1cc(CN[C@H](C[NH3+])C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594581101 449583129 /nfs/dbraw/zinc/58/31/29/449583129.db2.gz OZRFPQZXYPMOOF-GFCCVEGCSA-N 1 0 343.309 1.975 20 5 EDBDRO CC(C)(C(=O)NCC[N@@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1F ZINC000600809253 449556249 /nfs/dbraw/zinc/55/62/49/449556249.db2.gz XPNJGMXKYXCURG-LBPRGKRZSA-N 1 0 339.367 1.194 20 5 EDBDRO C[NH+](C)CCC[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 ZINC000596569319 449556336 /nfs/dbraw/zinc/55/63/36/449556336.db2.gz XABXGDPYTWKPMU-CYBMUJFWSA-N 1 0 336.392 1.241 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)c(C)c1[N+](=O)[O-] ZINC000598716555 449560913 /nfs/dbraw/zinc/56/09/13/449560913.db2.gz MUUUYTIBNZYXHB-LBPRGKRZSA-N 1 0 327.406 1.632 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598722726 449563171 /nfs/dbraw/zinc/56/31/71/449563171.db2.gz CRJARTJWFYBLAB-DOMZBBRYSA-N 1 0 339.417 1.714 20 5 EDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1c(Br)cccc1[N+](=O)[O-] ZINC000602489615 449629649 /nfs/dbraw/zinc/62/96/49/449629649.db2.gz BEQOFQBDKIHZJW-IIDWOEFGSA-N 1 0 326.150 1.305 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)[C@@H](C)C[NH2+]1 ZINC000602485750 449626782 /nfs/dbraw/zinc/62/67/82/449626782.db2.gz RHXJOEUWXYTANN-QWRGUYRKSA-N 1 0 347.350 1.742 20 5 EDBDRO O=C(NC[C@H]1COCC[NH2+]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000602550569 449667866 /nfs/dbraw/zinc/66/78/66/449667866.db2.gz KWLXRBWQLODYIV-VIFPVBQESA-N 1 0 344.165 1.076 20 5 EDBDRO C[NH+](C)CCCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000598956800 449670016 /nfs/dbraw/zinc/67/00/16/449670016.db2.gz QIMYOHXSFBQAJE-UHFFFAOYSA-N 1 0 335.339 1.601 20 5 EDBDRO COCCOC[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602568586 449679520 /nfs/dbraw/zinc/67/95/20/449679520.db2.gz PBUPPZRDQJIVMF-ZDUSSCGKSA-N 1 0 338.408 1.600 20 5 EDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000598915945 449645394 /nfs/dbraw/zinc/64/53/94/449645394.db2.gz RAJCOZGUSGZZOA-LBPRGKRZSA-N 1 0 337.355 1.245 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCN1CCCS1(=O)=O ZINC000601136710 449710398 /nfs/dbraw/zinc/71/03/98/449710398.db2.gz KCESXASHTYEWFB-UHFFFAOYSA-N 1 0 327.406 1.418 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)C1 ZINC000602647380 449727574 /nfs/dbraw/zinc/72/75/74/449727574.db2.gz HVYFJIGOFFJMAH-NWDGAFQWSA-N 1 0 334.376 1.623 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000599106928 449739305 /nfs/dbraw/zinc/73/93/05/449739305.db2.gz KIHMUZPUNNHVCH-CYBMUJFWSA-N 1 0 325.390 1.299 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000599104045 449735012 /nfs/dbraw/zinc/73/50/12/449735012.db2.gz LFLBNBKOFORFNI-PWSUYJOCSA-N 1 0 327.406 1.630 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000599104825 449736786 /nfs/dbraw/zinc/73/67/86/449736786.db2.gz OIRLYJFGWJVKHU-NXEZZACHSA-N 1 0 329.378 1.022 20 5 EDBDRO CO[C@](C)(CO)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602704700 449760804 /nfs/dbraw/zinc/76/08/04/449760804.db2.gz JMLNWIJSZMKZLA-JTQLQIEISA-N 1 0 339.211 1.906 20 5 EDBDRO COC[C@@H](C)Oc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000594930014 449812707 /nfs/dbraw/zinc/81/27/07/449812707.db2.gz AFUJXURFDSDNHQ-CYBMUJFWSA-N 1 0 334.376 1.995 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CC(C)(C)CN1CCOCC1 ZINC000602801986 449821056 /nfs/dbraw/zinc/82/10/56/449821056.db2.gz SCGZYMNIWJMZKF-UHFFFAOYSA-N 1 0 339.440 1.390 20 5 EDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(OCCO)CCOC1 ZINC000594975291 449826661 /nfs/dbraw/zinc/82/66/61/449826661.db2.gz PXOCTIXQQSITOR-CRPZLVSXSA-N 1 0 336.388 1.756 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000602825249 449836558 /nfs/dbraw/zinc/83/65/58/449836558.db2.gz KDUFKSUBHQMUFN-XEZPLFJOSA-N 1 0 338.408 1.758 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCCC23CC3)cc1 ZINC000595014162 449841266 /nfs/dbraw/zinc/84/12/66/449841266.db2.gz LPNVOZVJGRMRBJ-CQSZACIVSA-N 1 0 339.417 1.795 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601285771 449799083 /nfs/dbraw/zinc/79/90/83/449799083.db2.gz XAGMVGGMPJCQQI-UHFFFAOYSA-N 1 0 335.451 1.831 20 5 EDBDRO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN1CCO ZINC000614895180 449864776 /nfs/dbraw/zinc/86/47/76/449864776.db2.gz PPIDLFNTTPLDSP-UHFFFAOYSA-N 1 0 341.795 1.777 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000601351691 449864989 /nfs/dbraw/zinc/86/49/89/449864989.db2.gz MCHGIRGOFCGWTK-WFASDCNBSA-N 1 0 339.417 1.666 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000595091524 449866064 /nfs/dbraw/zinc/86/60/64/449866064.db2.gz RWVFSRKJSYSXFY-LBPRGKRZSA-N 1 0 334.376 1.522 20 5 EDBDRO CN(C)C(=O)CN(C/C=C\c1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000597206195 449870196 /nfs/dbraw/zinc/87/01/96/449870196.db2.gz RICBLMPPXVHUJK-CLFYSBASSA-N 1 0 334.420 1.560 20 5 EDBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000595107356 449872555 /nfs/dbraw/zinc/87/25/55/449872555.db2.gz BJVIVAUIYYKHDV-UHFFFAOYSA-N 1 0 328.394 1.000 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)nc1 ZINC000595109907 449873881 /nfs/dbraw/zinc/87/38/81/449873881.db2.gz XGFCHUHYTNXLMU-DGCLKSJQSA-N 1 0 340.405 1.143 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)c2ncccc12 ZINC000595121324 449882847 /nfs/dbraw/zinc/88/28/47/449882847.db2.gz ONMXRCLUYDXJCY-UHFFFAOYSA-N 1 0 348.384 1.173 20 5 EDBDRO C[NH+](C)CCn1cc(NC(=O)c2c(F)cccc2[N+](=O)[O-])ccc1=O ZINC000601373189 449888732 /nfs/dbraw/zinc/88/87/32/449888732.db2.gz RDCUPTDEMJDZQK-UHFFFAOYSA-N 1 0 348.334 1.710 20 5 EDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000601421026 449938721 /nfs/dbraw/zinc/93/87/21/449938721.db2.gz ACQHMDVUKDDDCG-SKDRFNHKSA-N 1 0 331.369 1.447 20 5 EDBDRO CC(C)[N@H+](C)C[C@@H](O)CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962810 449963409 /nfs/dbraw/zinc/96/34/09/449963409.db2.gz PCWCMIWQJTVBIM-JKSUJKDBSA-N 1 0 325.409 1.093 20 5 EDBDRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000595245843 449972814 /nfs/dbraw/zinc/97/28/14/449972814.db2.gz XWHPEZDMXQUACZ-JTQLQIEISA-N 1 0 336.392 1.555 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000599475750 450005003 /nfs/dbraw/zinc/00/50/03/450005003.db2.gz DIMUSHVCULJPPS-GFCCVEGCSA-N 1 0 347.350 1.744 20 5 EDBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609382351 450021604 /nfs/dbraw/zinc/02/16/04/450021604.db2.gz APIDDANFNDXWJZ-LBPRGKRZSA-N 1 0 347.371 1.580 20 5 EDBDRO CC(C)[NH2+][C@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000609386453 450022229 /nfs/dbraw/zinc/02/22/29/450022229.db2.gz UFHXCLVTSPSVGU-HNNXBMFYSA-N 1 0 346.431 1.946 20 5 EDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601556582 450070551 /nfs/dbraw/zinc/07/05/51/450070551.db2.gz LZGBXYQANBDSTD-DZGCQCFKSA-N 1 0 332.404 1.997 20 5 EDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000615313907 450059660 /nfs/dbraw/zinc/05/96/60/450059660.db2.gz XONOCRDSUFDMLG-GFCCVEGCSA-N 1 0 334.376 1.524 20 5 EDBDRO COc1ccc(NC(=O)CC[N@H+](C)CC2(C)COC2)c([N+](=O)[O-])c1 ZINC000599571522 450076142 /nfs/dbraw/zinc/07/61/42/450076142.db2.gz JXTKARZOXONSLL-UHFFFAOYSA-N 1 0 337.376 1.900 20 5 EDBDRO CC1(C)C[C@@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CO1 ZINC000595376554 450090661 /nfs/dbraw/zinc/09/06/61/450090661.db2.gz KXXPGWIVHVIEIA-OAHLLOKOSA-N 1 0 333.388 1.920 20 5 EDBDRO [NH3+]CCCOCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000599595864 450091021 /nfs/dbraw/zinc/09/10/21/450091021.db2.gz LVPFHKHNWPYWAU-UHFFFAOYSA-N 1 0 348.306 1.683 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H](C)c2nccn2C)c1[N+](=O)[O-] ZINC000595384218 450099594 /nfs/dbraw/zinc/09/95/94/450099594.db2.gz ULCTVYIMJNYBHO-LLVKDONJSA-N 1 0 338.389 1.985 20 5 EDBDRO C[NH+]1CCN(Cc2cn(Cc3ccc(F)cc3[N+](=O)[O-])nn2)CC1 ZINC000603224207 450156584 /nfs/dbraw/zinc/15/65/84/450156584.db2.gz MXFPVGOKACBVSI-UHFFFAOYSA-N 1 0 334.355 1.121 20 5 EDBDRO C[NH+](C)C1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000599720913 450177108 /nfs/dbraw/zinc/17/71/08/450177108.db2.gz RBBIMMFNPHPHFK-UHFFFAOYSA-N 1 0 333.323 1.306 20 5 EDBDRO CO[C@@H](C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@H]1CCOC1 ZINC000595524634 450206864 /nfs/dbraw/zinc/20/68/64/450206864.db2.gz YUXTWKBJRXNBJF-ZFWWWQNUSA-N 1 0 336.392 1.163 20 5 EDBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)COc1ccc([N+](=O)[O-])cc1)C2 ZINC000597717069 450217475 /nfs/dbraw/zinc/21/74/75/450217475.db2.gz XZCMDWABYPPSAH-KRWDZBQOSA-N 1 0 333.388 1.918 20 5 EDBDRO CN(CCCC[NH+]1CCCCC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000603406078 450284844 /nfs/dbraw/zinc/28/48/44/450284844.db2.gz DWNDVVULTJBTLS-UHFFFAOYSA-N 1 0 337.424 1.906 20 5 EDBDRO C[C@@H]1CC[C@@H](C[NH3+])N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000603431215 450300139 /nfs/dbraw/zinc/30/01/39/450300139.db2.gz FOJGVCPVEIVPQL-IOASZLSFSA-N 1 0 346.431 1.932 20 5 EDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000603909540 450375796 /nfs/dbraw/zinc/37/57/96/450375796.db2.gz CDPBTVZJVQAALG-VWYCJHECSA-N 1 0 338.795 1.726 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000610913240 450378913 /nfs/dbraw/zinc/37/89/13/450378913.db2.gz KUZNFCQNVZHBDS-AWEZNQCLSA-N 1 0 333.388 1.886 20 5 EDBDRO COc1cc(OCC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000363666216 522889294 /nfs/dbraw/zinc/88/92/94/522889294.db2.gz RZVAYDFCQVICQW-YUTCNCBUSA-N 1 0 349.387 1.568 20 5 EDBDRO CCOc1cc(C(=O)N2CCC[C@@H]([NH2+]C)C2)c([N+](=O)[O-])cc1OC ZINC000133034211 528212010 /nfs/dbraw/zinc/21/20/10/528212010.db2.gz DIXDSPBFXLDARQ-LLVKDONJSA-N 1 0 337.376 1.826 20 5 EDBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC[N@@H+]1C[C@H](C)O ZINC000246804618 535841483 /nfs/dbraw/zinc/84/14/83/535841483.db2.gz KDIBOIULCAOUQD-UONOGXRCSA-N 1 0 335.404 1.820 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000347183494 535912998 /nfs/dbraw/zinc/91/29/98/535912998.db2.gz BOPIUAJGNHFJDK-UHFFFAOYSA-N 1 0 333.348 1.521 20 5 EDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269877649 535971875 /nfs/dbraw/zinc/97/18/75/535971875.db2.gz JOTQZZWKSPHSIY-CQSZACIVSA-N 1 0 344.799 1.360 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270247054 536788172 /nfs/dbraw/zinc/78/81/72/536788172.db2.gz DMFAHJNBPAYDNM-UHFFFAOYSA-N 1 0 338.408 1.405 20 5 EDBDRO Cc1c(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000743978710 579496119 /nfs/dbraw/zinc/49/61/19/579496119.db2.gz NIEWXSUKZLOHFA-NSHDSACASA-N 1 0 334.376 1.442 20 5 EDBDRO CC(C)(CO)[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000747621648 579651102 /nfs/dbraw/zinc/65/11/02/579651102.db2.gz XLSPWWPYZLARHN-UHFFFAOYSA-N 1 0 348.403 1.372 20 5 EDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000757993043 579974207 /nfs/dbraw/zinc/97/42/07/579974207.db2.gz HWFRFAKFXPCWOG-UHFFFAOYSA-N 1 0 325.288 1.405 20 5 EDBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000763070090 580091969 /nfs/dbraw/zinc/09/19/69/580091969.db2.gz WEGJGGJGVIXYSA-ZDUSSCGKSA-N 1 0 337.376 1.683 20 5 EDBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000769141253 580229830 /nfs/dbraw/zinc/22/98/30/580229830.db2.gz LRNWNJSKBKKDKY-NWDGAFQWSA-N 1 0 335.360 1.337 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](CCO)C1CC1 ZINC000771799093 580294268 /nfs/dbraw/zinc/29/42/68/580294268.db2.gz JJJSWNWNEJEHNH-ZDUSSCGKSA-N 1 0 337.376 1.683 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000780866794 580535797 /nfs/dbraw/zinc/53/57/97/580535797.db2.gz LWIJIQKHTOTRGB-NSHDSACASA-N 1 0 343.405 1.366 20 5 EDBDRO C[NH+](C)C1(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000783750483 580605194 /nfs/dbraw/zinc/60/51/94/580605194.db2.gz RVNMETKXIQOESZ-UHFFFAOYSA-N 1 0 331.376 1.545 20 5 EDBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000783911065 580608090 /nfs/dbraw/zinc/60/80/90/580608090.db2.gz NDAFOWJKCCTKEO-LSDHHAIUSA-N 1 0 337.420 1.799 20 5 EDBDRO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000787505495 580696455 /nfs/dbraw/zinc/69/64/55/580696455.db2.gz KBJGCLKOUTVBIE-UHFFFAOYSA-N 1 0 348.359 1.742 20 5 EDBDRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000788918252 580732613 /nfs/dbraw/zinc/73/26/13/580732613.db2.gz GFTNGVVTTQKZFI-JTQLQIEISA-N 1 0 333.435 1.809 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000793924154 580860469 /nfs/dbraw/zinc/86/04/69/580860469.db2.gz BWAROAZGQRMVBB-KGLIPLIRSA-N 1 0 347.371 1.196 20 5 EDBDRO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCC[N@H+]1CC=CCC1 ZINC000794116351 580875522 /nfs/dbraw/zinc/87/55/22/580875522.db2.gz VXQWUICKTBRSJV-UHFFFAOYSA-N 1 0 348.359 1.814 20 5 EDBDRO C[C@H]1C[C@H](N2CCOCC2)CN1c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804809195 590776377 /nfs/dbraw/zinc/77/63/77/590776377.db2.gz RGNCMOBVVGYQNV-RYUDHWBXSA-N 1 0 336.348 1.802 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888982421 590937390 /nfs/dbraw/zinc/93/73/90/590937390.db2.gz RBTJFCRFNHSSSJ-UHFFFAOYSA-N 1 0 334.420 1.531 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1[C@@H](C)CCC[C@H]1CC[NH+](C)C ZINC000893025843 591259330 /nfs/dbraw/zinc/25/93/30/591259330.db2.gz LDWCNJZEPHGEBV-JSGCOSHPSA-N 1 0 337.424 1.821 20 5 EDBDRO C[NH+](C)CC1(O)CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000894956994 591491738 /nfs/dbraw/zinc/49/17/38/591491738.db2.gz TVRBODPRLOKUSG-UHFFFAOYSA-N 1 0 331.376 1.431 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH+](CCCCCO)CC1 ZINC000894964406 591500459 /nfs/dbraw/zinc/50/04/59/591500459.db2.gz PDIRWXBKVHGVRM-UHFFFAOYSA-N 1 0 328.800 1.928 20 5 EDBDRO Cn1c2ccccc2c(NC[C@H]2CSCC[NH2+]2)c([N+](=O)[O-])c1=O ZINC000895125612 591602812 /nfs/dbraw/zinc/60/28/12/591602812.db2.gz WCOKKGCNQCIJCA-JTQLQIEISA-N 1 0 334.401 1.564 20 5 EDBDRO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000895319390 591710991 /nfs/dbraw/zinc/71/09/91/591710991.db2.gz XCYIUTLGELHFNO-LLVKDONJSA-N 1 0 342.193 1.972 20 5 EDBDRO O=[N+]([O-])c1cc2c(nc1N1CC[C@H]3[C@H]1CCC[N@H+]3CCO)CCCC2 ZINC000897219709 591773960 /nfs/dbraw/zinc/77/39/60/591773960.db2.gz NBZULNGXWPUCMN-JKSUJKDBSA-N 1 0 346.431 1.904 20 5 EDBDRO Cc1cc(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000898124818 591790366 /nfs/dbraw/zinc/79/03/66/591790366.db2.gz RHBKGUTYCLVUED-UHFFFAOYSA-N 1 0 347.415 1.870 20 5 EDBDRO CC[NH+]1CCC(NC(=O)COc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000902330758 591980140 /nfs/dbraw/zinc/98/01/40/591980140.db2.gz BCGNRHVKOMBVCG-UHFFFAOYSA-N 1 0 325.340 1.713 20 5 EDBDRO C[C@H]1[C@@H](NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)CC[N@@H+]1C ZINC000900666528 592085509 /nfs/dbraw/zinc/08/55/09/592085509.db2.gz NKJYJXDQSUXCNI-LRDDRELGSA-N 1 0 343.387 1.662 20 5 EDBDRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000900789174 592124309 /nfs/dbraw/zinc/12/43/09/592124309.db2.gz FXVTZPGYTQKRBU-DOTOQJQBSA-N 1 0 335.404 1.489 20 5 EDBDRO [NH3+]C[C@@]12CC[C@H]1CCCN2CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000903796697 592325506 /nfs/dbraw/zinc/32/55/06/592325506.db2.gz BNQIAPJMWKRFIA-KDOFPFPSSA-N 1 0 344.415 1.687 20 5 EDBDRO O=[N+]([O-])CC[NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000905081412 592389631 /nfs/dbraw/zinc/38/96/31/592389631.db2.gz PRXKDMSCGPNRJQ-AWEZNQCLSA-N 1 0 347.337 1.945 20 5 EDBDRO C[NH+]1CCC(OCC(=O)N2CCCc3c([N+](=O)[O-])cccc32)CC1 ZINC000904045168 592415140 /nfs/dbraw/zinc/41/51/40/592415140.db2.gz XESXXKRCLLDROB-UHFFFAOYSA-N 1 0 333.388 1.985 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCC3(CCOCC3)O2)cc1 ZINC000905589515 592583624 /nfs/dbraw/zinc/58/36/24/592583624.db2.gz ADXWILGZHDXLSX-HZPDHXFCSA-N 1 0 336.388 1.946 20 5 EDBDRO C[C@@H](C[NH2+]C[C@H](O)COC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000905644897 592603398 /nfs/dbraw/zinc/60/33/98/592603398.db2.gz TWMQWXLREIJKGF-KBPBESRZSA-N 1 0 338.404 1.844 20 5 EDBDRO CC(C)[N@H+](CCO)CC1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000910872745 592898899 /nfs/dbraw/zinc/89/88/99/592898899.db2.gz DJMCMBAIPOXUST-UHFFFAOYSA-N 1 0 343.468 1.763 20 5 EDBDRO O=C(c1ccc2c(c1[N+](=O)[O-])OCCCO2)N1CC([NH+]2CCCC2)C1 ZINC000912324199 593086938 /nfs/dbraw/zinc/08/69/38/593086938.db2.gz CHCMAEKGMCQZCR-UHFFFAOYSA-N 1 0 347.371 1.676 20 5 EDBDRO C[C@H](CCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)[NH+](C)C ZINC000912387085 593090080 /nfs/dbraw/zinc/09/00/80/593090080.db2.gz NLPJONCAGHZRFC-LLVKDONJSA-N 1 0 337.376 1.826 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000738227364 593110667 /nfs/dbraw/zinc/11/06/67/593110667.db2.gz ODICKWMVRJWKKG-NSHDSACASA-N 1 0 332.360 1.032 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(CN3CCN(c4ccccc4[N+](=O)[O-])C3=O)C[C@@H]21 ZINC000840133264 593246776 /nfs/dbraw/zinc/24/67/76/593246776.db2.gz RLBPFWMVCXYCEO-CJNGLKHVSA-N 1 0 345.403 1.430 20 5 EDBDRO Cn1nnnc1CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811486083 593471908 /nfs/dbraw/zinc/47/19/08/593471908.db2.gz IPVCCRWJALGLGV-UHFFFAOYSA-N 1 0 331.163 1.757 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000816869352 593555012 /nfs/dbraw/zinc/55/50/12/593555012.db2.gz OHQCYPLNLVZXEJ-UHFFFAOYSA-N 1 0 329.784 1.946 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000816950201 593562645 /nfs/dbraw/zinc/56/26/45/593562645.db2.gz NGVDDKSYVHEISG-DOMZBBRYSA-N 1 0 329.360 1.107 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818016409 593657719 /nfs/dbraw/zinc/65/77/19/593657719.db2.gz GWTWGMVPDRTCOH-MRXNPFEDSA-N 1 0 329.360 1.299 20 5 EDBDRO O=C(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC000818999817 593733191 /nfs/dbraw/zinc/73/31/91/593733191.db2.gz YJTBSNTVGHOPTF-QGZVFWFLSA-N 1 0 341.367 1.807 20 5 EDBDRO O=C(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC000818999814 593733206 /nfs/dbraw/zinc/73/32/06/593733206.db2.gz YJTBSNTVGHOPTF-KRWDZBQOSA-N 1 0 341.367 1.807 20 5 EDBDRO CN(C)[C@@]1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000819130025 593740475 /nfs/dbraw/zinc/74/04/75/593740475.db2.gz DZHNHVRZZZKEDB-HUUCEWRRSA-N 1 0 325.434 1.655 20 5 EDBDRO Cn1nccc1[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000819353072 593751630 /nfs/dbraw/zinc/75/16/30/593751630.db2.gz LZNNKNDBDXQRMO-COXVUDFISA-N 1 0 346.387 1.872 20 5 EDBDRO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[N@@H+]1C1CC1 ZINC000820667712 593858084 /nfs/dbraw/zinc/85/80/84/593858084.db2.gz NOVMFMSTKCNTOP-IUCAKERBSA-N 1 0 330.352 1.207 20 5 EDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000820732267 593874665 /nfs/dbraw/zinc/87/46/65/593874665.db2.gz ZMFSSAODJLEADD-MWLCHTKSSA-N 1 0 347.824 1.961 20 5 EDBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000820752146 593881110 /nfs/dbraw/zinc/88/11/10/593881110.db2.gz KXIZUDGOWWDNKA-YGRLFVJLSA-N 1 0 331.380 1.916 20 5 EDBDRO COC1CC[NH+](CCNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000821679567 593908896 /nfs/dbraw/zinc/90/88/96/593908896.db2.gz CQGKXWZGCLURTH-UHFFFAOYSA-N 1 0 347.379 1.298 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000822724740 594092101 /nfs/dbraw/zinc/09/21/01/594092101.db2.gz VIIBJEGLZXCCER-AWEZNQCLSA-N 1 0 332.404 1.331 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(-c3cn([C@H]4CCC[NH2+]C4)nn3)n2)o1 ZINC000823270983 594178894 /nfs/dbraw/zinc/17/88/94/594178894.db2.gz ZTEGFJNQIJIFAO-QMMMGPOBSA-N 1 0 331.292 1.421 20 5 EDBDRO O=[N+]([O-])c1ccc(-n2ccc(-c3nc(N4CC[NH2+]CC4)no3)n2)cc1 ZINC000823315893 594184749 /nfs/dbraw/zinc/18/47/49/594184749.db2.gz PYOHZZVQMMIDQE-UHFFFAOYSA-N 1 0 341.331 1.240 20 5 EDBDRO C[NH+](C)C1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000829673369 594238442 /nfs/dbraw/zinc/23/84/42/594238442.db2.gz MNFRCFWWXFYAEO-UHFFFAOYSA-N 1 0 338.383 1.490 20 5 EDBDRO O=C1CC[C@@H]([NH+]2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)CCN1 ZINC000829352664 594600950 /nfs/dbraw/zinc/60/09/50/594600950.db2.gz YFQIWVTYGZVJHJ-GFCCVEGCSA-N 1 0 336.367 1.525 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)CC[C@@H]21 ZINC000827286439 594658628 /nfs/dbraw/zinc/65/86/28/594658628.db2.gz GYXHMYLMSWXSNX-PWSUYJOCSA-N 1 0 333.344 1.490 20 5 EDBDRO CN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H](C[NH3+])C1 ZINC000841233473 594873802 /nfs/dbraw/zinc/87/38/02/594873802.db2.gz VHXLPBVFEIAWPV-VIFPVBQESA-N 1 0 327.772 1.355 20 5 EDBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000841263553 594878178 /nfs/dbraw/zinc/87/81/78/594878178.db2.gz CSIBVSBVCWDGDE-PELKAZGASA-N 1 0 338.751 1.007 20 5 EDBDRO C[N@H+](CCCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000841528346 594915843 /nfs/dbraw/zinc/91/58/43/594915843.db2.gz STBBVMIJEZBJHC-UHFFFAOYSA-N 1 0 345.396 1.887 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]1 ZINC000841985994 594995947 /nfs/dbraw/zinc/99/59/47/594995947.db2.gz IKAXOLBFCYPERZ-UONOGXRCSA-N 1 0 347.419 1.567 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1Cl ZINC000836785877 594997586 /nfs/dbraw/zinc/99/75/86/594997586.db2.gz YXVMFVJAVFSNQM-AWEZNQCLSA-N 1 0 327.768 1.353 20 5 EDBDRO C[C@@H](CCC[NH3+])NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841999376 594998525 /nfs/dbraw/zinc/99/85/25/594998525.db2.gz IDEASDAZRFTLIO-ZDUSSCGKSA-N 1 0 335.408 1.554 20 5 EDBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000842248838 595054288 /nfs/dbraw/zinc/05/42/88/595054288.db2.gz BVNRTJAFIMGFKC-CQSZACIVSA-N 1 0 345.346 1.506 20 5 EDBDRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000845826444 595075654 /nfs/dbraw/zinc/07/56/54/595075654.db2.gz VJELQIQQYSMOCI-UHFFFAOYSA-N 1 0 342.421 1.531 20 5 EDBDRO O=C(CN1CC[C@@H]2[NH2+]CC[C@H]2C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843387120 595096670 /nfs/dbraw/zinc/09/66/70/595096670.db2.gz OUALDWDKUZFAJK-JQWIXIFHSA-N 1 0 338.795 1.871 20 5 EDBDRO C[C@@H](CC[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843455579 595116621 /nfs/dbraw/zinc/11/66/21/595116621.db2.gz RLTLELVBIRKRFL-LURJTMIESA-N 1 0 334.145 1.964 20 5 EDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCC[NH2+]C1CC1 ZINC000842481433 595117545 /nfs/dbraw/zinc/11/75/45/595117545.db2.gz IWXAPXGLGKGXOG-UHFFFAOYSA-N 1 0 347.824 1.977 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000843468948 595121747 /nfs/dbraw/zinc/12/17/47/595121747.db2.gz FBDLSOVLGBRFSZ-GFCCVEGCSA-N 1 0 336.348 1.881 20 5 EDBDRO CC(C)N1CCO[C@@H](C(=[NH2+])NOCc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000842649969 595157300 /nfs/dbraw/zinc/15/73/00/595157300.db2.gz WRMFSWCQPDIQMH-CQSZACIVSA-N 1 0 340.355 1.842 20 5 EDBDRO COC(=O)c1cc(-c2nc([C@H]3CCC[NH2+]C3)no2)cc([N+](=O)[O-])c1 ZINC000842671574 595166387 /nfs/dbraw/zinc/16/63/87/595166387.db2.gz WHDPZKGKOSMDJV-VIFPVBQESA-N 1 0 332.316 1.898 20 5 EDBDRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000842795468 595201717 /nfs/dbraw/zinc/20/17/17/595201717.db2.gz QDAYJHYPTHESMQ-UHFFFAOYSA-N 1 0 325.390 1.284 20 5 EDBDRO O=[N+]([O-])c1cccc(F)c1OS(=O)(=O)CCC[NH+]1CCCC1 ZINC000867115751 595244980 /nfs/dbraw/zinc/24/49/80/595244980.db2.gz VIUICGQYKMRDQM-UHFFFAOYSA-N 1 0 332.353 1.928 20 5 EDBDRO Cc1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000843068441 595279859 /nfs/dbraw/zinc/27/98/59/595279859.db2.gz JSAINKXEHXEBJH-SJLPKXTDSA-N 1 0 346.383 1.966 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CO)Cc2ccc(F)cc2)c1 ZINC000843093298 595285868 /nfs/dbraw/zinc/28/58/68/595285868.db2.gz GIAAPDIDJVZXLL-DOTOQJQBSA-N 1 0 334.347 1.961 20 5 EDBDRO CC(C)[NH2+]C1(CO)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846941742 595341027 /nfs/dbraw/zinc/34/10/27/595341027.db2.gz XQHCSKROSLMESG-INIZCTEOSA-N 1 0 337.420 1.453 20 5 EDBDRO C[N@H+](C[C@@H]1CCOC1)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848479764 595390224 /nfs/dbraw/zinc/39/02/24/595390224.db2.gz BDHFKESULBHPCZ-XJKSGUPXSA-N 1 0 333.388 1.837 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000844843255 595402286 /nfs/dbraw/zinc/40/22/86/595402286.db2.gz XOFCLSXMPAOXOZ-NCOADZHNSA-N 1 0 345.399 1.154 20 5 EDBDRO C[NH+]1CC2(C1)CCN(C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C2 ZINC000848592566 595412621 /nfs/dbraw/zinc/41/26/21/595412621.db2.gz KDRDHURCDGFYRE-UHFFFAOYSA-N 1 0 341.314 1.731 20 5 EDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000850583449 595537486 /nfs/dbraw/zinc/53/74/86/595537486.db2.gz CIRIHVLGVXSHJE-FGWVZKOKSA-N 1 0 326.378 1.023 20 5 EDBDRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1 ZINC000850587696 595539857 /nfs/dbraw/zinc/53/98/57/595539857.db2.gz GXFFTHVYASUZCE-UONOGXRCSA-N 1 0 348.384 1.105 20 5 EDBDRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000850856911 595655570 /nfs/dbraw/zinc/65/55/70/595655570.db2.gz IRGCOMDPVOYTII-UHFFFAOYSA-N 1 0 338.751 1.055 20 5 EDBDRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000850857665 595655907 /nfs/dbraw/zinc/65/59/07/595655907.db2.gz BWKBXRVTFQCBNW-LLVKDONJSA-N 1 0 342.783 1.676 20 5 EDBDRO O=C1N(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]2CCCCN12 ZINC000853118559 595671089 /nfs/dbraw/zinc/67/10/89/595671089.db2.gz MWNRTKBAHCEXTP-JKSUJKDBSA-N 1 0 348.403 1.508 20 5 EDBDRO CN(CCC[NH+](C)C)CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000855416362 595705597 /nfs/dbraw/zinc/70/55/97/595705597.db2.gz MQIIXOWMVDYXDG-UHFFFAOYSA-N 1 0 326.372 1.347 20 5 EDBDRO C[NH+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000858216460 595733020 /nfs/dbraw/zinc/73/30/20/595733020.db2.gz NEOMGAGBOAFBEP-UHFFFAOYSA-N 1 0 342.399 1.725 20 5 EDBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c1 ZINC000853523030 595783653 /nfs/dbraw/zinc/78/36/53/595783653.db2.gz RFBQKBXJEIWKLD-LBPRGKRZSA-N 1 0 327.348 1.516 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000850357912 595817174 /nfs/dbraw/zinc/81/71/74/595817174.db2.gz BAXFCNZGDGDDPP-AWEZNQCLSA-N 1 0 330.768 1.506 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCCOCC3)CC2)c2nonc21 ZINC000853689156 595856055 /nfs/dbraw/zinc/85/60/55/595856055.db2.gz ZBJVQNSRJYGJNZ-UHFFFAOYSA-N 1 0 347.375 1.822 20 5 EDBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000861069644 595879392 /nfs/dbraw/zinc/87/93/92/595879392.db2.gz TVZGIDMBOJLMSX-SECBINFHSA-N 1 0 328.756 1.436 20 5 EDBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(F)c1 ZINC000853964818 595935839 /nfs/dbraw/zinc/93/58/39/595935839.db2.gz BHOJTDXYWHXWLV-GFCCVEGCSA-N 1 0 327.331 1.908 20 5 EDBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856254705 595936872 /nfs/dbraw/zinc/93/68/72/595936872.db2.gz YIUAPDOCSGQCHZ-CYBMUJFWSA-N 1 0 337.351 1.405 20 5 EDBDRO O=C(CC[N@@H+]1CC[C@H](N2CCOC2=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000852435964 596161381 /nfs/dbraw/zinc/16/13/81/596161381.db2.gz URGFJVGFVKZDET-AWEZNQCLSA-N 1 0 348.359 1.450 20 5 EDBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc([N+](=O)[O-])ccc1F ZINC000854742823 596184183 /nfs/dbraw/zinc/18/41/83/596184183.db2.gz GWIUQHKMRGQJHG-LLVKDONJSA-N 1 0 325.340 1.311 20 5 EDBDRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C2 ZINC000857234416 596193719 /nfs/dbraw/zinc/19/37/19/596193719.db2.gz KFORFUBWXHQMBA-RNCFNFMXSA-N 1 0 329.353 1.236 20 5 EDBDRO O=C1CCCN1C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852680024 596226044 /nfs/dbraw/zinc/22/60/44/596226044.db2.gz JLLKRIJYWBVNFL-CZUORRHYSA-N 1 0 333.388 1.573 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])C1CC1 ZINC000866708267 596303195 /nfs/dbraw/zinc/30/31/95/596303195.db2.gz QKVCTTIAMLTYHZ-UHFFFAOYSA-N 1 0 345.396 1.805 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc([N+](=O)[O-])c1F ZINC000866827927 596368463 /nfs/dbraw/zinc/36/84/63/596368463.db2.gz TXWLCYHPUOCMCC-NEPJUHHUSA-N 1 0 343.380 1.557 20 5 EDBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000870895048 596393855 /nfs/dbraw/zinc/39/38/55/596393855.db2.gz SKDAEDOQUXMDGZ-RDTXWAMCSA-N 1 0 348.447 1.959 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000868031453 596661329 /nfs/dbraw/zinc/66/13/29/596661329.db2.gz GAGZEKBROQYZKD-DOMZBBRYSA-N 1 0 343.387 1.545 20 5 EDBDRO COC(=O)Cc1ccc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866209859 596828284 /nfs/dbraw/zinc/82/82/84/596828284.db2.gz WLEWIGYIAJBWOI-ZIAGYGMSSA-N 1 0 333.388 1.841 20 5 EDBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCOCCS(C)(=O)=O ZINC000866301712 596851887 /nfs/dbraw/zinc/85/18/87/596851887.db2.gz RUOFLCNFSGNCAX-LLVKDONJSA-N 1 0 348.396 1.316 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)cccc1[N+](=O)[O-] ZINC000874363117 597033835 /nfs/dbraw/zinc/03/38/35/597033835.db2.gz LRZKPNZMTGHLDF-HUUCEWRRSA-N 1 0 346.387 1.537 20 5 EDBDRO CC[C@@H]1COCCN1CCNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000874703034 597146763 /nfs/dbraw/zinc/14/67/63/597146763.db2.gz NIAQNXQAVGXXIO-GFCCVEGCSA-N 1 0 337.376 1.444 20 5 EDBDRO COCc1nc2n(n1)C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)CC2 ZINC000873076497 597182588 /nfs/dbraw/zinc/18/25/88/597182588.db2.gz OCHGYROOPWJAJU-CYBMUJFWSA-N 1 0 331.376 1.746 20 5 EDBDRO Cc1c(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000873126955 597205995 /nfs/dbraw/zinc/20/59/95/597205995.db2.gz ZIHUSPGLELEGEU-AWEZNQCLSA-N 1 0 341.433 1.807 20 5 EDBDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000876551221 597236603 /nfs/dbraw/zinc/23/66/03/597236603.db2.gz NGJRKOGRBLYRKM-DTPTURRISA-N 1 0 344.415 1.655 20 5 EDBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000876728820 597310235 /nfs/dbraw/zinc/31/02/35/597310235.db2.gz WULAQLBMKSKGDR-GUYCJALGSA-N 1 0 334.420 1.569 20 5 EDBDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876790266 597341346 /nfs/dbraw/zinc/34/13/46/597341346.db2.gz XOMQZTJGOGFPBK-CYBMUJFWSA-N 1 0 341.433 1.725 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877345828 597497052 /nfs/dbraw/zinc/49/70/52/597497052.db2.gz KOMBDHCJAXTDOS-HNNXBMFYSA-N 1 0 341.367 1.804 20 5 EDBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C2 ZINC000877378760 597505478 /nfs/dbraw/zinc/50/54/78/597505478.db2.gz YESUIXRVGBACTK-SCLBCKFNSA-N 1 0 344.415 1.877 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(N(C)CC(F)F)CC1 ZINC000878256438 597590535 /nfs/dbraw/zinc/59/05/35/597590535.db2.gz AQUHTJHWGIZYGQ-UHFFFAOYSA-N 1 0 331.367 1.761 20 5 EDBDRO NC(=O)[C@H](C1CC1)[N@H+](CCOc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000879493192 597607174 /nfs/dbraw/zinc/60/71/74/597607174.db2.gz UBOQENSEZONMCW-INIZCTEOSA-N 1 0 333.388 1.950 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000879575779 597638810 /nfs/dbraw/zinc/63/88/10/597638810.db2.gz OVVBMZDGWFNTHX-UKRRQHHQSA-N 1 0 332.404 1.949 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000879669239 597680991 /nfs/dbraw/zinc/68/09/91/597680991.db2.gz LFTFLXBRYLYGHE-QJPTWQEYSA-N 1 0 334.298 1.639 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](n3ccnn3)CC2)cc1 ZINC000878941015 597761749 /nfs/dbraw/zinc/76/17/49/597761749.db2.gz JLFMYKGXDQXUGW-GDBMZVCRSA-N 1 0 331.376 1.947 20 5 EDBDRO CC(C)(O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000879963736 597786391 /nfs/dbraw/zinc/78/63/91/597786391.db2.gz NNIMSUNHPOTGDG-UONOGXRCSA-N 1 0 338.404 1.817 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c1 ZINC000880189926 597869905 /nfs/dbraw/zinc/86/99/05/597869905.db2.gz SURLIXYNNATNJE-ZOBUZTSGSA-N 1 0 343.387 1.115 20 5 EDBDRO COc1ccc(OCC[N@@H+](C)[C@H]2CCOC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000880425016 597928781 /nfs/dbraw/zinc/92/87/81/597928781.db2.gz CWKVFYRAPQZAIO-XJKSGUPXSA-N 1 0 340.376 1.718 20 5 EDBDRO C[C@H](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)[NH+](C)C ZINC000880671134 597992587 /nfs/dbraw/zinc/99/25/87/597992587.db2.gz PRYRVBQNZZJRHA-LLVKDONJSA-N 1 0 337.376 1.826 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C[C@@H]2C1 ZINC000916666289 696716065 /nfs/dbraw/zinc/71/60/65/696716065.db2.gz GDZCKBVNSJCNDB-ZJUUUORDSA-N 1 0 331.419 1.229 20 5 EDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000916053535 696617329 /nfs/dbraw/zinc/61/73/29/696617329.db2.gz BKKWNETXRFLBBM-CYBMUJFWSA-N 1 0 345.403 1.793 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000917654358 697059304 /nfs/dbraw/zinc/05/93/04/697059304.db2.gz FPLHLGIEIYPVLK-NEPJUHHUSA-N 1 0 325.390 1.500 20 5 EDBDRO CC(C)n1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000940109570 700222412 /nfs/dbraw/zinc/22/24/12/700222412.db2.gz QGOQIXBWJYYVEL-HUUCEWRRSA-N 1 0 349.435 1.600 20 5 EDBDRO O=C(c1cnco1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000996851958 703130734 /nfs/dbraw/zinc/13/07/34/703130734.db2.gz MUIYNUQAPOLHLR-UHFFFAOYSA-N 1 0 330.344 1.977 20 5 EDBDRO Cn1ncc(C(=O)N2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000997088079 703326440 /nfs/dbraw/zinc/32/64/40/703326440.db2.gz FHNNULOFYMQKRR-UHFFFAOYSA-N 1 0 344.375 1.118 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CC1CCN(C(=O)C2=CCCC2)CC1 ZINC000997679826 704043932 /nfs/dbraw/zinc/04/39/32/704043932.db2.gz QTLUHZGHIAGKFI-UHFFFAOYSA-N 1 0 347.419 1.767 20 5 EDBDRO COc1ncccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001034642612 710318149 /nfs/dbraw/zinc/31/81/49/710318149.db2.gz DZHOTXWXZBFKRI-KBUPBQIOSA-N 1 0 348.403 1.272 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000331094032 282119433 /nfs/dbraw/zinc/11/94/33/282119433.db2.gz ZWPFWNJTUHRHEX-NSHDSACASA-N 1 0 347.824 1.963 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055220375 214291161 /nfs/dbraw/zinc/29/11/61/214291161.db2.gz BZXZXDKHRXYEAB-SNVBAGLBSA-N 1 0 333.385 1.743 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000173773907 231029892 /nfs/dbraw/zinc/02/98/92/231029892.db2.gz SWBMGUCZGDXLDJ-PBHICJAKSA-N 1 0 348.378 1.856 20 5 EDBDRO C[NH+](C)[C@H]1CC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000332168078 282271325 /nfs/dbraw/zinc/27/13/25/282271325.db2.gz PDPCKMYNZVHGJX-QWRGUYRKSA-N 1 0 335.360 1.579 20 5 EDBDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000183354047 529822600 /nfs/dbraw/zinc/82/26/00/529822600.db2.gz APOVZSIULQXDRW-UHFFFAOYSA-N 1 0 341.433 1.493 20 5 EDBDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])C1CC1 ZINC000187466363 530000941 /nfs/dbraw/zinc/00/09/41/530000941.db2.gz HWLZYKJSZFERCI-CQSZACIVSA-N 1 0 343.387 1.958 20 5 EDBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1 ZINC000133803275 530044778 /nfs/dbraw/zinc/04/47/78/530044778.db2.gz DNQFBUQGCBDRGT-LLVKDONJSA-N 1 0 336.348 1.944 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178116703 232087590 /nfs/dbraw/zinc/08/75/90/232087590.db2.gz GFMUDXKSHATQOF-AWEZNQCLSA-N 1 0 333.388 1.698 20 5 EDBDRO O=C(NC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000178572897 232265970 /nfs/dbraw/zinc/26/59/70/232265970.db2.gz DSGZJROBSZHTLW-MRXNPFEDSA-N 1 0 333.388 1.619 20 5 EDBDRO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178652141 232339743 /nfs/dbraw/zinc/33/97/43/232339743.db2.gz HKIQMLIFIKGCTM-LBPRGKRZSA-N 1 0 341.433 1.917 20 5 EDBDRO CC[C@H](C)[N@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000066140542 215015342 /nfs/dbraw/zinc/01/53/42/215015342.db2.gz PNNJJXRSSHZYLF-LBPRGKRZSA-N 1 0 339.392 1.829 20 5 EDBDRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000560505761 306272609 /nfs/dbraw/zinc/27/26/09/306272609.db2.gz BTECWKDVRWQAQE-OAHLLOKOSA-N 1 0 339.779 1.435 20 5 EDBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)NS(C)(=O)=O ZINC000067005684 215102622 /nfs/dbraw/zinc/10/26/22/215102622.db2.gz ITKQOXGKQPHFDL-UHFFFAOYSA-N 1 0 335.813 1.666 20 5 EDBDRO CN(CC[NH+]1CCCC1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000103117532 219256686 /nfs/dbraw/zinc/25/66/86/219256686.db2.gz WIIMJZUPILEZRI-UHFFFAOYSA-N 1 0 343.387 1.948 20 5 EDBDRO COc1cc(C(=O)N(C)CC[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000103118230 219256727 /nfs/dbraw/zinc/25/67/27/219256727.db2.gz VWIFTXREGDHFAZ-UHFFFAOYSA-N 1 0 337.376 1.780 20 5 EDBDRO NC(=O)c1ccc(CN2CCC([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000104079406 138299569 /nfs/dbraw/zinc/29/95/69/138299569.db2.gz KYQJIWAAZCDWKX-UHFFFAOYSA-N 1 0 332.404 1.754 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000186930524 236068886 /nfs/dbraw/zinc/06/88/86/236068886.db2.gz LFBDWADWMSVCNS-WCQGTBRESA-N 1 0 334.332 1.621 20 5 EDBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)N1CC[NH+](C)CC1 ZINC000154686532 138520379 /nfs/dbraw/zinc/52/03/79/138520379.db2.gz LFXJNHLNAOYTOZ-LBPRGKRZSA-N 1 0 338.383 1.029 20 5 EDBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000264545620 283321533 /nfs/dbraw/zinc/32/15/33/283321533.db2.gz BPCMPOZCYKISTG-ZDUSSCGKSA-N 1 0 335.364 1.056 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000072075773 216003621 /nfs/dbraw/zinc/00/36/21/216003621.db2.gz XQVPCRHPXTWHHH-YPMHNXCESA-N 1 0 335.360 1.196 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130339715 223144768 /nfs/dbraw/zinc/14/47/68/223144768.db2.gz JLEXYXFCFRXHMH-UHFFFAOYSA-N 1 0 348.403 1.655 20 5 EDBDRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000566018847 306396951 /nfs/dbraw/zinc/39/69/51/306396951.db2.gz QOTDHSOTPUPSAN-KRWDZBQOSA-N 1 0 345.355 1.528 20 5 EDBDRO Cc1c(NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cccc1[N+](=O)[O-] ZINC000414717908 304132117 /nfs/dbraw/zinc/13/21/17/304132117.db2.gz YRCPTYWKLDZRFT-GFCCVEGCSA-N 1 0 349.391 1.222 20 5 EDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000414999605 304149724 /nfs/dbraw/zinc/14/97/24/304149724.db2.gz KKPMGOWNUDCSGH-GXFFZTMASA-N 1 0 342.346 1.899 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000195305707 139013213 /nfs/dbraw/zinc/01/32/13/139013213.db2.gz WDMVZCAXKYOQRL-AOOOYVTPSA-N 1 0 345.808 1.397 20 5 EDBDRO C[NH+](C)CCCOc1cccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000110488802 220039822 /nfs/dbraw/zinc/03/98/22/220039822.db2.gz GXMGSBRONGQTCX-UHFFFAOYSA-N 1 0 348.363 1.156 20 5 EDBDRO O=C1[C@@H](N2CC[C@@H]([NH+]3CCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000226543455 139022016 /nfs/dbraw/zinc/02/20/16/139022016.db2.gz HWDLHWAPZJWBFP-SJORKVTESA-N 1 0 344.415 1.870 20 5 EDBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000236891316 139034206 /nfs/dbraw/zinc/03/42/06/139034206.db2.gz FSJDVQOONBLACK-NSHDSACASA-N 1 0 332.364 1.423 20 5 EDBDRO C[NH2+]CC1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000237091470 139040444 /nfs/dbraw/zinc/04/04/44/139040444.db2.gz KUTPEIRJKGEKAK-UHFFFAOYSA-N 1 0 343.387 1.852 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1([NH3+])CCCCC1 ZINC000237205489 139044180 /nfs/dbraw/zinc/04/41/80/139044180.db2.gz FCDXJXMVGLQGAL-UHFFFAOYSA-N 1 0 343.405 1.543 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000110797176 220067094 /nfs/dbraw/zinc/06/70/94/220067094.db2.gz VXUIFVYEQAIKRO-SECBINFHSA-N 1 0 333.797 1.526 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000110815964 220068576 /nfs/dbraw/zinc/06/85/76/220068576.db2.gz ZQIXOGBPADHWDO-UHFFFAOYSA-N 1 0 337.376 1.536 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000237457330 139051796 /nfs/dbraw/zinc/05/17/96/139051796.db2.gz LAZODZRAIMMZES-FZMZJTMJSA-N 1 0 327.406 1.626 20 5 EDBDRO CC[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC[N@@H+]1C[C@H](C)O ZINC000245914348 139089721 /nfs/dbraw/zinc/08/97/21/139089721.db2.gz FCRIFXPYTLUNED-XJKSGUPXSA-N 1 0 349.431 1.749 20 5 EDBDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000246545112 139112248 /nfs/dbraw/zinc/11/22/48/139112248.db2.gz CTEYSHXFQWPJOJ-QLFBSQMISA-N 1 0 337.424 1.365 20 5 EDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415377357 304208222 /nfs/dbraw/zinc/20/82/22/304208222.db2.gz AORULIGDMFYHCE-GXTWGEPZSA-N 1 0 327.344 1.289 20 5 EDBDRO O=C(CC[NH2+][C@@H](CO)Cc1ccncc1)Nc1ccccc1[N+](=O)[O-] ZINC000568750077 306488169 /nfs/dbraw/zinc/48/81/69/306488169.db2.gz UNJBNPIWOMEAPG-CQSZACIVSA-N 1 0 344.371 1.512 20 5 EDBDRO COC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000251940271 139203473 /nfs/dbraw/zinc/20/34/73/139203473.db2.gz UPHQYXKKOAJHIO-STQMWFEESA-N 1 0 337.376 1.659 20 5 EDBDRO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000261659613 139215281 /nfs/dbraw/zinc/21/52/81/139215281.db2.gz KMEYAWZZTAFCEE-CJNGLKHVSA-N 1 0 332.404 1.632 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261815870 139228518 /nfs/dbraw/zinc/22/85/18/139228518.db2.gz XHGXUDASHJWMAX-UHFFFAOYSA-N 1 0 333.323 1.605 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000262001143 139243027 /nfs/dbraw/zinc/24/30/27/139243027.db2.gz PVCICYVJPHILEZ-STQMWFEESA-N 1 0 343.387 1.980 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[C@H]1[NH3+] ZINC000261985478 139241891 /nfs/dbraw/zinc/24/18/91/139241891.db2.gz JUXPHKOAKLIIML-VXGBXAGGSA-N 1 0 329.360 1.590 20 5 EDBDRO Cc1nc(N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000262159952 139256252 /nfs/dbraw/zinc/25/62/52/139256252.db2.gz GULOPNGGJZHPFE-UONOGXRCSA-N 1 0 347.419 1.383 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000415768525 251023739 /nfs/dbraw/zinc/02/37/39/251023739.db2.gz NSDWNSJQOOCJSN-DGCLKSJQSA-N 1 0 332.360 1.052 20 5 EDBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262253997 139263831 /nfs/dbraw/zinc/26/38/31/139263831.db2.gz SVTBZBVJXFZLEZ-OLZOCXBDSA-N 1 0 341.371 1.747 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000262306964 139268598 /nfs/dbraw/zinc/26/85/98/139268598.db2.gz CHWFUSXMVZWLAZ-VXGBXAGGSA-N 1 0 329.360 1.590 20 5 EDBDRO Cc1ccc(NCCCNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])c1 ZINC000417712109 251236894 /nfs/dbraw/zinc/23/68/94/251236894.db2.gz FJCDCUCOUJPQJA-JYAVWHMHSA-N 1 0 333.392 1.222 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000415578612 304230785 /nfs/dbraw/zinc/23/07/85/304230785.db2.gz PHYLCGRUFGLWKD-RKDXNWHRSA-N 1 0 340.767 1.382 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000417757812 251258378 /nfs/dbraw/zinc/25/83/78/251258378.db2.gz BQLICPNIGDCRQV-RBSFLKMASA-N 1 0 332.404 1.906 20 5 EDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417726718 251245390 /nfs/dbraw/zinc/24/53/90/251245390.db2.gz NHMVJSJBBYRREB-GASCZTMLSA-N 1 0 332.404 1.778 20 5 EDBDRO Cn1cc(C(=O)NCC[C@@H]2CC[NH2+]C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262589039 139288676 /nfs/dbraw/zinc/28/86/76/139288676.db2.gz QGXDJZOGDVRJPA-LBPRGKRZSA-N 1 0 343.387 1.725 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000262762598 139301854 /nfs/dbraw/zinc/30/18/54/139301854.db2.gz KUANRORBXPBETP-CMPLNLGQSA-N 1 0 337.376 1.730 20 5 EDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000422845004 251997621 /nfs/dbraw/zinc/99/76/21/251997621.db2.gz AOYVILRMGWKMAI-ZDUSSCGKSA-N 1 0 336.392 1.145 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC3(CC[NH2+]3)CC2)cc1OC ZINC000424050710 252126309 /nfs/dbraw/zinc/12/63/09/252126309.db2.gz FMEXWLLUGOVXDM-UHFFFAOYSA-N 1 0 349.387 1.970 20 5 EDBDRO COC(=O)c1cc(NC(=O)N[C@@H](C)CCC[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415604362 304237491 /nfs/dbraw/zinc/23/74/91/304237491.db2.gz VVMSNIMIYROQCY-VIFPVBQESA-N 1 0 338.364 1.939 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415613981 304238911 /nfs/dbraw/zinc/23/89/11/304238911.db2.gz AWSOBSZIFDAQEM-QPUJVOFHSA-N 1 0 340.767 1.301 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415644546 304245887 /nfs/dbraw/zinc/24/58/87/304245887.db2.gz KXXBLUUVTLRJIV-RYUDHWBXSA-N 1 0 334.376 1.536 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000415664012 304251560 /nfs/dbraw/zinc/25/15/60/304251560.db2.gz WMGYFLMNYHPVDV-PWSUYJOCSA-N 1 0 334.376 1.264 20 5 EDBDRO O=c1[nH]cnc2cc(N3CC[N@@H+]4CCCC[C@H]4C3)c([N+](=O)[O-])cc12 ZINC000301227436 285098522 /nfs/dbraw/zinc/09/85/22/285098522.db2.gz HJHSIKKVUWGMHS-NSHDSACASA-N 1 0 329.360 1.918 20 5 EDBDRO COc1cc(OCC(=O)N[C@H]2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000158455687 533091861 /nfs/dbraw/zinc/09/18/61/533091861.db2.gz BWIIHDMPQSDCMF-AAEUAGOBSA-N 1 0 337.376 1.616 20 5 EDBDRO COc1cc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000112511241 220341442 /nfs/dbraw/zinc/34/14/42/220341442.db2.gz KWPIFGYRKPBEBV-WDEREUQCSA-N 1 0 337.376 1.811 20 5 EDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415743478 304263601 /nfs/dbraw/zinc/26/36/01/304263601.db2.gz LWNIBZBXOKUDBV-XVKPBYJWSA-N 1 0 326.740 1.135 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c([N+](=O)[O-])c1 ZINC000263641202 139349185 /nfs/dbraw/zinc/34/91/85/139349185.db2.gz BSTHZKRZRCHBRS-ZDUSSCGKSA-N 1 0 335.360 1.279 20 5 EDBDRO CC[N@H+](CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C1CC1 ZINC000263721606 139355490 /nfs/dbraw/zinc/35/54/90/139355490.db2.gz LTIYEFRTSMPTQQ-UHFFFAOYSA-N 1 0 328.394 1.138 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415771760 304267600 /nfs/dbraw/zinc/26/76/00/304267600.db2.gz CARDMPXMVKTTLN-AAEUAGOBSA-N 1 0 332.360 1.052 20 5 EDBDRO C[N@H+](CCO)C1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000492248567 255165188 /nfs/dbraw/zinc/16/51/88/255165188.db2.gz NIZKAQSXUZGLMN-SREVYHEPSA-N 1 0 333.388 1.523 20 5 EDBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000493186720 255195155 /nfs/dbraw/zinc/19/51/55/255195155.db2.gz LCZSKQHGSTWORE-OMDKTOEGSA-N 1 0 348.378 1.253 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000570412027 306541482 /nfs/dbraw/zinc/54/14/82/306541482.db2.gz VIWIFCJDOFBAKO-KRWDZBQOSA-N 1 0 333.388 1.398 20 5 EDBDRO Cc1c(NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000118102545 221117565 /nfs/dbraw/zinc/11/75/65/221117565.db2.gz YVRDMTUKWTVAQJ-AWEZNQCLSA-N 1 0 334.376 1.298 20 5 EDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118105867 221118912 /nfs/dbraw/zinc/11/89/12/221118912.db2.gz HEACHJWZHHOWFJ-JTQLQIEISA-N 1 0 340.767 1.397 20 5 EDBDRO CC[NH2+]CCNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000236968756 535475959 /nfs/dbraw/zinc/47/59/59/535475959.db2.gz DQZHSWBPLKKNLR-UHFFFAOYSA-N 1 0 333.291 1.544 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000376769087 291997136 /nfs/dbraw/zinc/99/71/36/291997136.db2.gz VAZZDPXZRABTGO-OAHLLOKOSA-N 1 0 339.417 1.667 20 5 EDBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH+](C)C ZINC000270434858 140099593 /nfs/dbraw/zinc/09/95/93/140099593.db2.gz GPPIABNHLVOWJK-OLZOCXBDSA-N 1 0 327.381 1.852 20 5 EDBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)ccc1[N+](=O)[O-] ZINC000270583751 140128614 /nfs/dbraw/zinc/12/86/14/140128614.db2.gz BFHLAHKPALQWCV-CYBMUJFWSA-N 1 0 339.367 1.701 20 5 EDBDRO Cc1ccc([C@@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000270850821 140182698 /nfs/dbraw/zinc/18/26/98/140182698.db2.gz XXASLTZWIYETSC-CYBMUJFWSA-N 1 0 331.376 1.669 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000271209341 140256891 /nfs/dbraw/zinc/25/68/91/140256891.db2.gz AUKPWUKFOVYPTB-SECBINFHSA-N 1 0 333.435 1.590 20 5 EDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)CC(=O)N2C ZINC000271432579 140295063 /nfs/dbraw/zinc/29/50/63/140295063.db2.gz BEIBYZACWMTXTQ-LLVKDONJSA-N 1 0 329.360 1.661 20 5 EDBDRO COC(=O)Cn1cc(CC[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000271819057 140355786 /nfs/dbraw/zinc/35/57/86/140355786.db2.gz ZURQSAWXNXCJDQ-NSHDSACASA-N 1 0 333.348 1.253 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000322032279 140661371 /nfs/dbraw/zinc/66/13/71/140661371.db2.gz XIPIBAARWCVKDW-IUODEOHRSA-N 1 0 339.417 1.748 20 5 EDBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000331965090 141103945 /nfs/dbraw/zinc/10/39/45/141103945.db2.gz BQNCCHCYEZQPCQ-PVAVHDDUSA-N 1 0 349.431 1.893 20 5 EDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000332228235 141143584 /nfs/dbraw/zinc/14/35/84/141143584.db2.gz CQXHWQXLWPRJML-CHWSQXEVSA-N 1 0 332.404 1.508 20 5 EDBDRO CC(C)[C@@H]1C[N@H+](C)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000332251752 141147270 /nfs/dbraw/zinc/14/72/70/141147270.db2.gz BUNYPVQZPWCXIQ-KRWDZBQOSA-N 1 0 346.431 1.756 20 5 EDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000332409749 141177305 /nfs/dbraw/zinc/17/73/05/141177305.db2.gz QQPZSYGAYGVBGI-RYUDHWBXSA-N 1 0 336.396 1.408 20 5 EDBDRO O=C(N1CCCC1)[C@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000344793508 143012479 /nfs/dbraw/zinc/01/24/79/143012479.db2.gz WFMMBROVYOCSDB-KRWDZBQOSA-N 1 0 333.388 1.544 20 5 EDBDRO O=C(N1CCCC1)[C@@]1(O)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000344808153 143014044 /nfs/dbraw/zinc/01/40/44/143014044.db2.gz BTQINCPPSJYOMD-QGZVFWFLSA-N 1 0 333.388 1.544 20 5 EDBDRO C[NH+]1CCC(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000346196564 143177726 /nfs/dbraw/zinc/17/77/26/143177726.db2.gz RBIXJNDGQIMBOJ-CYBMUJFWSA-N 1 0 333.392 1.344 20 5 EDBDRO Cn1c(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000346393858 143200108 /nfs/dbraw/zinc/20/01/08/143200108.db2.gz SWCVMVJCMUZRPU-GFCCVEGCSA-N 1 0 336.392 1.164 20 5 EDBDRO CO[C@@H]1C[C@H](CN(C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[N@H+](C)C1 ZINC000346697195 143233331 /nfs/dbraw/zinc/23/33/31/143233331.db2.gz AWBFBBOJZKIDRH-CHWSQXEVSA-N 1 0 346.387 1.867 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000347317261 143307702 /nfs/dbraw/zinc/30/77/02/143307702.db2.gz JDVGFUGBJQRCMN-QMTHXVAHSA-N 1 0 334.336 1.304 20 5 EDBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000349053846 143476236 /nfs/dbraw/zinc/47/62/36/143476236.db2.gz MXIWDNSSZDBXJF-CYBMUJFWSA-N 1 0 326.356 1.987 20 5 EDBDRO C[C@@H](CC[NH+](C)C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264907580 149049474 /nfs/dbraw/zinc/04/94/74/149049474.db2.gz MWDAGEURIYOMIX-LBPRGKRZSA-N 1 0 336.392 1.171 20 5 EDBDRO C[C@H]1C[C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000352936843 149221410 /nfs/dbraw/zinc/22/14/10/149221410.db2.gz KOBXRBYLIPRHGH-WCQYABFASA-N 1 0 327.406 1.497 20 5 EDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2cc(CO)nn2)cc1 ZINC000353196292 149321081 /nfs/dbraw/zinc/32/10/81/149321081.db2.gz XDSGSICJSPYEMR-CVEARBPZSA-N 1 0 331.376 1.952 20 5 EDBDRO CC(C)[C@H]1CC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000353403319 149393247 /nfs/dbraw/zinc/39/32/47/149393247.db2.gz LTVOUGRKABYYBD-CABCVRRESA-N 1 0 341.433 1.897 20 5 EDBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000355327620 150218937 /nfs/dbraw/zinc/21/89/37/150218937.db2.gz XSKJRCGCYZNKDE-INIZCTEOSA-N 1 0 335.404 1.707 20 5 EDBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CS(=O)(=O)CCO2)cc1[N+](=O)[O-] ZINC000358299873 151330432 /nfs/dbraw/zinc/33/04/32/151330432.db2.gz JXEPYEOZAACQSP-WCQYABFASA-N 1 0 328.390 1.367 20 5 EDBDRO C[C@H](C[NH+](C)C)NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000358497577 151394935 /nfs/dbraw/zinc/39/49/35/151394935.db2.gz JRUUHSKOCYKXIO-CYBMUJFWSA-N 1 0 335.408 1.377 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Cl)cc2)c1 ZINC000573913459 306638122 /nfs/dbraw/zinc/63/81/22/306638122.db2.gz GLKZNBBTCPPEHR-QLFBSQMISA-N 1 0 336.779 1.951 20 5 EDBDRO CO[C@@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000359226796 151643959 /nfs/dbraw/zinc/64/39/59/151643959.db2.gz GJTWWGRGQGWXJS-QWHCGFSZSA-N 1 0 336.392 1.362 20 5 EDBDRO CNc1c(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000360936895 152258180 /nfs/dbraw/zinc/25/81/80/152258180.db2.gz HOGPUYYDCDRJHF-CYBMUJFWSA-N 1 0 348.403 1.431 20 5 EDBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000370159190 155353372 /nfs/dbraw/zinc/35/33/72/155353372.db2.gz FSQALWINGFGQBG-BLLLJJGKSA-N 1 0 341.371 1.605 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000364074893 153138344 /nfs/dbraw/zinc/13/83/44/153138344.db2.gz UNRNBRUGKLSEEB-ZFWWWQNUSA-N 1 0 349.387 1.031 20 5 EDBDRO NC(=O)c1noc([C@H]2CCCN2CCOc2ccccc2[N+](=O)[O-])n1 ZINC000364435043 153236241 /nfs/dbraw/zinc/23/62/41/153236241.db2.gz JQPVCATZQYNGKR-LLVKDONJSA-N 1 0 347.331 1.293 20 5 EDBDRO COc1ccc(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000417197754 304383700 /nfs/dbraw/zinc/38/37/00/304383700.db2.gz QHPBWGVUXUQHDZ-QWHCGFSZSA-N 1 0 334.376 1.354 20 5 EDBDRO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000364959779 153384002 /nfs/dbraw/zinc/38/40/02/153384002.db2.gz YDGBSRFJPJEJHJ-YVSFHVDLSA-N 1 0 331.416 1.850 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185229960 286384428 /nfs/dbraw/zinc/38/44/28/286384428.db2.gz UBWBVEFEVCFZSN-UHFFFAOYSA-N 1 0 343.405 1.318 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000270506853 286381633 /nfs/dbraw/zinc/38/16/33/286381633.db2.gz QLVUHQMDHXFBEQ-KBPBESRZSA-N 1 0 339.417 1.721 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1C ZINC000368635965 292291555 /nfs/dbraw/zinc/29/15/55/292291555.db2.gz GPHKVSFNYULJQD-CHWSQXEVSA-N 1 0 339.417 1.584 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])Nc1cnc2c(c1)C[NH2+]CC2 ZINC000367372660 154092862 /nfs/dbraw/zinc/09/28/62/154092862.db2.gz UAHOZTVKIRXKMV-UHFFFAOYSA-N 1 0 328.328 1.653 20 5 EDBDRO COc1ccc(OCC[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000367456769 154130538 /nfs/dbraw/zinc/13/05/38/154130538.db2.gz CTANZSQWYCQVFQ-DYVFJYSZSA-N 1 0 349.387 1.629 20 5 EDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1CCn2ccnc2C1 ZINC000369500647 155060815 /nfs/dbraw/zinc/06/08/15/155060815.db2.gz NSWAOPMRGJLSHM-ZDUSSCGKSA-N 1 0 343.387 1.972 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000369537400 155077752 /nfs/dbraw/zinc/07/77/52/155077752.db2.gz QJVRZNBOOQGDFM-CHWSQXEVSA-N 1 0 339.417 1.748 20 5 EDBDRO CN(Cc1ncccn1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000369597870 155104500 /nfs/dbraw/zinc/10/45/00/155104500.db2.gz RQZUKXQMMOLPDT-LLVKDONJSA-N 1 0 331.332 1.324 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000266172751 292334523 /nfs/dbraw/zinc/33/45/23/292334523.db2.gz USBINKBXAZRTGH-UHFFFAOYSA-N 1 0 348.403 1.634 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000372175614 156256047 /nfs/dbraw/zinc/25/60/47/156256047.db2.gz KBCUHRZADPRQBI-UHFFFAOYSA-N 1 0 339.417 1.808 20 5 EDBDRO C[NH+]1CCN(C[C@H]2CCCN(c3ncc([N+](=O)[O-])s3)C2)CC1 ZINC000373852898 157033072 /nfs/dbraw/zinc/03/30/72/157033072.db2.gz CRIBNZXBNNRIAK-GFCCVEGCSA-N 1 0 325.438 1.515 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc([N+](=O)[O-])c1F ZINC000373886554 157048979 /nfs/dbraw/zinc/04/89/79/157048979.db2.gz TYEFVOIUHNONOG-JQWIXIFHSA-N 1 0 343.380 1.415 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373885896 157049276 /nfs/dbraw/zinc/04/92/76/157049276.db2.gz PACZNQXNMSXVMV-NWDGAFQWSA-N 1 0 325.390 1.276 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000374628478 157349597 /nfs/dbraw/zinc/34/95/97/157349597.db2.gz YYNWUOAWPRHWQS-TVYUQYBPSA-N 1 0 329.360 1.671 20 5 EDBDRO Cc1nn(CCC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000374628687 157349965 /nfs/dbraw/zinc/34/99/65/157349965.db2.gz GZSJXWRJJAEIOJ-MELADBBJSA-N 1 0 335.408 1.384 20 5 EDBDRO CN1CCN(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)C(=O)C1 ZINC000374740044 157383035 /nfs/dbraw/zinc/38/30/35/157383035.db2.gz YVFXITLFJGCRPJ-UHFFFAOYSA-N 1 0 332.404 1.333 20 5 EDBDRO C[C@]1(c2ccccc2)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000378127276 158086447 /nfs/dbraw/zinc/08/64/47/158086447.db2.gz PIXBNCIETPVKKP-IRXDYDNUSA-N 1 0 330.388 1.816 20 5 EDBDRO Cc1c(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000365185037 162353464 /nfs/dbraw/zinc/35/34/64/162353464.db2.gz MLJVCIPTJNZGOY-OLZOCXBDSA-N 1 0 334.376 1.888 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@H]1C[NH+]1CCCCCC1 ZINC000372501953 162485912 /nfs/dbraw/zinc/48/59/12/162485912.db2.gz FWIWRLAEVCRQBB-AWEZNQCLSA-N 1 0 335.408 1.658 20 5 EDBDRO C[C@H]1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000418003244 304445085 /nfs/dbraw/zinc/44/50/85/304445085.db2.gz ZOVHOZNIXIHLIU-JOYOIKCWSA-N 1 0 326.784 1.779 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCC[NH+]1CCCC1 ZINC000061547830 287236928 /nfs/dbraw/zinc/23/69/28/287236928.db2.gz KDZUTUWQZOZUQH-CYBMUJFWSA-N 1 0 348.403 1.315 20 5 EDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000157572041 224850673 /nfs/dbraw/zinc/85/06/73/224850673.db2.gz FBOZTJALLJKLOZ-RYUDHWBXSA-N 1 0 330.348 1.033 20 5 EDBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000122325310 222062232 /nfs/dbraw/zinc/06/22/32/222062232.db2.gz ITYVGLGXWWOGES-UHFFFAOYSA-N 1 0 337.424 1.912 20 5 EDBDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000122372120 222073967 /nfs/dbraw/zinc/07/39/67/222073967.db2.gz DAJSAOIZFAPKHW-WFASDCNBSA-N 1 0 339.417 1.700 20 5 EDBDRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000274674862 268181287 /nfs/dbraw/zinc/18/12/87/268181287.db2.gz ITDHWYHHWFRUFO-CQSZACIVSA-N 1 0 341.433 1.887 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCCCO ZINC000276423251 268423987 /nfs/dbraw/zinc/42/39/87/268423987.db2.gz RDQKCJPGIZPIEU-UHFFFAOYSA-N 1 0 325.365 1.636 20 5 EDBDRO COC(=O)c1cnc(N2CC[C@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000276809428 268480338 /nfs/dbraw/zinc/48/03/38/268480338.db2.gz RWMRXXLOOSLXKZ-ZDUSSCGKSA-N 1 0 348.403 1.945 20 5 EDBDRO C[C@]1(CCCO)CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273163211 273030805 /nfs/dbraw/zinc/03/08/05/273030805.db2.gz NWYPJBBDMZVBHL-RHSMWYFYSA-N 1 0 338.404 1.962 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273431684 273039132 /nfs/dbraw/zinc/03/91/32/273039132.db2.gz ARZVNWDGRRCPFV-SNVBAGLBSA-N 1 0 328.394 1.138 20 5 EDBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000274110543 273070078 /nfs/dbraw/zinc/07/00/78/273070078.db2.gz VOMQLQBOLKXOHZ-MNOVXSKESA-N 1 0 325.365 1.539 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000276901430 273168502 /nfs/dbraw/zinc/16/85/02/273168502.db2.gz SGWXHEYVEGCECG-UHFFFAOYSA-N 1 0 337.424 1.728 20 5 EDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279079354 273278726 /nfs/dbraw/zinc/27/87/26/273278726.db2.gz UXPZBIMWVUYJCF-VIFPVBQESA-N 1 0 349.778 1.978 20 5 EDBDRO COc1cc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c([N+](=O)[O-])cc1OC ZINC000280306772 273354809 /nfs/dbraw/zinc/35/48/09/273354809.db2.gz OBOZWKUFIXZDNX-WCQYABFASA-N 1 0 340.376 1.347 20 5 EDBDRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000280681332 273385119 /nfs/dbraw/zinc/38/51/19/273385119.db2.gz ZJISRAQIGSQATH-LLVKDONJSA-N 1 0 345.396 1.885 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000261852776 274666569 /nfs/dbraw/zinc/66/65/69/274666569.db2.gz DPDOOQLEAOWQPF-WCQYABFASA-N 1 0 327.406 1.794 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000360007891 274763379 /nfs/dbraw/zinc/76/33/79/274763379.db2.gz SIMPGPDSMYPGRA-ZIAGYGMSSA-N 1 0 339.417 1.570 20 5 EDBDRO O=C1[C@@H](N2CC[C@@]3(CC[NH2+]C3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000360572656 275027887 /nfs/dbraw/zinc/02/78/87/275027887.db2.gz XYBJMHOEIROAQI-DOTOQJQBSA-N 1 0 330.388 1.386 20 5 EDBDRO C[NH2+]CCCN(C)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000424019922 277022107 /nfs/dbraw/zinc/02/21/07/277022107.db2.gz NHYXSGFLMMPQML-UHFFFAOYSA-N 1 0 336.392 1.113 20 5 EDBDRO C[C@@H]1[C@H]([NH3+])CCN1c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000420256300 279114963 /nfs/dbraw/zinc/11/49/63/279114963.db2.gz URPUFCCAXHYTIE-BXKDBHETSA-N 1 0 349.778 1.720 20 5 EDBDRO O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000444139218 280149918 /nfs/dbraw/zinc/14/99/18/280149918.db2.gz ILPGNQAXNHRJMS-CXAGYDPISA-N 1 0 330.388 1.243 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000287397276 288228571 /nfs/dbraw/zinc/22/85/71/288228571.db2.gz NVARUQULUFVAJO-AWEZNQCLSA-N 1 0 346.387 1.138 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262755156 280656036 /nfs/dbraw/zinc/65/60/36/280656036.db2.gz PCBWIWWDGNKCPE-OLZOCXBDSA-N 1 0 339.417 1.727 20 5 EDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000289292522 288667509 /nfs/dbraw/zinc/66/75/09/288667509.db2.gz UQFVJVSGCSNKGF-OCCSQVGLSA-N 1 0 336.396 1.060 20 5 EDBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292086583 289258125 /nfs/dbraw/zinc/25/81/25/289258125.db2.gz GGVCKKIUOFKQFN-CXAGYDPISA-N 1 0 332.404 1.949 20 5 EDBDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000292189612 289284499 /nfs/dbraw/zinc/28/44/99/289284499.db2.gz GCDIKWHGQGLDNZ-BXUZGUMPSA-N 1 0 348.403 1.371 20 5 EDBDRO COC[C@H](C)OC[C@@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292208708 289289163 /nfs/dbraw/zinc/28/91/63/289289163.db2.gz TUDMQXKRVILKEH-STQMWFEESA-N 1 0 326.393 1.832 20 5 EDBDRO CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292214745 289291148 /nfs/dbraw/zinc/29/11/48/289291148.db2.gz OPJSBJWDHRNHFT-NSHDSACASA-N 1 0 347.824 1.714 20 5 EDBDRO CCOCC(C)(C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000293180514 289543023 /nfs/dbraw/zinc/54/30/23/289543023.db2.gz HDTWBTPAMLPYDH-UHFFFAOYSA-N 1 0 330.406 1.773 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261920860 295195443 /nfs/dbraw/zinc/19/54/43/295195443.db2.gz RNMMAALEFNWTKY-QWRGUYRKSA-N 1 0 343.405 1.209 20 5 EDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000422869365 295270738 /nfs/dbraw/zinc/27/07/38/295270738.db2.gz WHUHBGZDWYSGTO-OCCSQVGLSA-N 1 0 348.403 1.289 20 5 EDBDRO NS(=O)(=O)c1cccc(NCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000272447196 295289850 /nfs/dbraw/zinc/28/98/50/295289850.db2.gz FOZCMLYIQXERNO-UHFFFAOYSA-N 1 0 342.421 1.530 20 5 EDBDRO C[C@H](NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000419159236 304572687 /nfs/dbraw/zinc/57/26/87/304572687.db2.gz ZAQLUDDAVOWBMC-STQMWFEESA-N 1 0 348.403 1.359 20 5 EDBDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)nc2)C1 ZINC000448282479 447309694 /nfs/dbraw/zinc/30/96/94/447309694.db2.gz GHXRJROEZMXAFL-GFCCVEGCSA-N 1 0 344.375 1.711 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000193412297 301428554 /nfs/dbraw/zinc/42/85/54/301428554.db2.gz WZZKFNZULVVKNH-ZANVPECISA-N 1 0 327.406 1.488 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)c1C ZINC000261824683 301429669 /nfs/dbraw/zinc/42/96/69/301429669.db2.gz BBFXCNMDWUONFP-GFCCVEGCSA-N 1 0 327.406 1.632 20 5 EDBDRO CCC[C@H]1C[NH2+]CCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420300893 304746099 /nfs/dbraw/zinc/74/60/99/304746099.db2.gz DDXHVUWHCOZRGV-AWEZNQCLSA-N 1 0 341.433 1.442 20 5 EDBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000420425461 304756926 /nfs/dbraw/zinc/75/69/26/304756926.db2.gz ULKMCBKWLISOJV-ZDUSSCGKSA-N 1 0 327.406 1.056 20 5 EDBDRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000420424998 304756927 /nfs/dbraw/zinc/75/69/27/304756927.db2.gz INEGGBXZHMUCHB-ZDUSSCGKSA-N 1 0 341.433 1.528 20 5 EDBDRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000420426565 304757084 /nfs/dbraw/zinc/75/70/84/304757084.db2.gz JTJSCFYSDRIYLQ-AWEZNQCLSA-N 1 0 327.406 1.138 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000408060676 302048449 /nfs/dbraw/zinc/04/84/49/302048449.db2.gz GJVPDLMHJIODIA-OLZOCXBDSA-N 1 0 339.417 1.808 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CC(C)(C)CO ZINC000295294888 303200856 /nfs/dbraw/zinc/20/08/56/303200856.db2.gz UKUDGMZBKIESDV-NSHDSACASA-N 1 0 339.392 1.881 20 5 EDBDRO C[NH+](C)C[C@@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000295397592 303213902 /nfs/dbraw/zinc/21/39/02/303213902.db2.gz ZAZDAIGTZYIHSV-OAHLLOKOSA-N 1 0 349.387 1.347 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CCC[C@H](O)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000296141944 303298537 /nfs/dbraw/zinc/29/85/37/303298537.db2.gz JRQGVJWLJVIDCS-NHYWBVRUSA-N 1 0 337.376 1.777 20 5 EDBDRO Cc1cc(F)c(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000296778528 303337351 /nfs/dbraw/zinc/33/73/51/303337351.db2.gz PMCGFDCCAVACNT-LLVKDONJSA-N 1 0 340.355 1.837 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C ZINC000296903825 303345832 /nfs/dbraw/zinc/34/58/32/303345832.db2.gz OMWRFVBSTAYNCE-IUODEOHRSA-N 1 0 336.392 1.822 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000262356849 303462357 /nfs/dbraw/zinc/46/23/57/303462357.db2.gz VYNWRCFKOQMAIZ-GRYCIOLGSA-N 1 0 325.390 1.343 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000303370063 303745421 /nfs/dbraw/zinc/74/54/21/303745421.db2.gz JYRSQVQTWXOLLT-JKSUJKDBSA-N 1 0 335.404 1.505 20 5 EDBDRO Cc1ccc([C@@H]([NH3+])C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000423827104 304910963 /nfs/dbraw/zinc/91/09/63/304910963.db2.gz NLYIYSOMYZGOCX-MRXNPFEDSA-N 1 0 343.387 1.963 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423976769 304921942 /nfs/dbraw/zinc/92/19/42/304921942.db2.gz PBMHNZDRCACGSR-CZUORRHYSA-N 1 0 333.388 1.964 20 5 EDBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429001044 305022253 /nfs/dbraw/zinc/02/22/53/305022253.db2.gz WMVDSRZTBCQRDY-DVOMOZLQSA-N 1 0 346.431 1.856 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2nn[nH]c2C1 ZINC000429283605 305027550 /nfs/dbraw/zinc/02/75/50/305027550.db2.gz JSFNDVFBJKYFGV-UHFFFAOYSA-N 1 0 346.347 1.108 20 5 EDBDRO C[NH+](C)CCN1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429848746 305038936 /nfs/dbraw/zinc/03/89/36/305038936.db2.gz SLZIFUBBZCZYKL-UHFFFAOYSA-N 1 0 348.447 1.578 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000430572570 305056656 /nfs/dbraw/zinc/05/66/56/305056656.db2.gz PQIICAAAWPHEOM-NEPJUHHUSA-N 1 0 334.376 1.368 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000430938015 305069437 /nfs/dbraw/zinc/06/94/37/305069437.db2.gz GLTCGUPFRZNKKC-SRVKXCTJSA-N 1 0 336.392 1.613 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435231936 305137403 /nfs/dbraw/zinc/13/74/03/305137403.db2.gz HGTDKERPSCAATF-CQSZACIVSA-N 1 0 348.403 1.758 20 5 EDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000440436159 305206760 /nfs/dbraw/zinc/20/67/60/305206760.db2.gz FOHVHQDKNGFVHI-LLVKDONJSA-N 1 0 345.808 1.763 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000440831279 305213125 /nfs/dbraw/zinc/21/31/25/305213125.db2.gz ICWNDBABBRRNDA-RYUDHWBXSA-N 1 0 327.406 1.569 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000441987563 305224574 /nfs/dbraw/zinc/22/45/74/305224574.db2.gz RKJNHEPVYWVQOK-LLVKDONJSA-N 1 0 332.360 1.195 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000443778493 305241176 /nfs/dbraw/zinc/24/11/76/305241176.db2.gz HJHMSIMFVVAZMZ-BXUZGUMPSA-N 1 0 327.406 1.307 20 5 EDBDRO COCCOCCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447514168 305281104 /nfs/dbraw/zinc/28/11/04/305281104.db2.gz BQLMIEPITPXDOX-KBPBESRZSA-N 1 0 326.397 1.918 20 5 EDBDRO O=C1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CN1C1CC1 ZINC000447574887 305282378 /nfs/dbraw/zinc/28/23/78/305282378.db2.gz PMLFRDJMRHYAAT-YUTCNCBUSA-N 1 0 333.392 1.628 20 5 EDBDRO Cc1c(NC(=O)CC[NH2+][C@@H](CO)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000447910813 305288773 /nfs/dbraw/zinc/28/87/73/305288773.db2.gz DIVABLZIKATOSC-ZFWWWQNUSA-N 1 0 337.376 1.361 20 5 EDBDRO C[C@@H](NC(=O)CCCn1c2ccc([N+](=O)[O-])cc2oc1=O)[C@H](C)[NH3+] ZINC000449583990 305314815 /nfs/dbraw/zinc/31/48/15/305314815.db2.gz CBAXDDBVNXYYNZ-VHSXEESVSA-N 1 0 336.348 1.135 20 5 EDBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000449695635 305317281 /nfs/dbraw/zinc/31/72/81/305317281.db2.gz IYEZEGMBHDILDA-AWEZNQCLSA-N 1 0 344.375 1.293 20 5 EDBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000452347730 305391089 /nfs/dbraw/zinc/39/10/89/305391089.db2.gz JONCHWPFMUVQOG-ZDUSSCGKSA-N 1 0 337.376 1.180 20 5 EDBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1ccc(F)cc1[N+](=O)[O-] ZINC000452367797 305393398 /nfs/dbraw/zinc/39/33/98/305393398.db2.gz QFYFCKZBBIREHO-GFCCVEGCSA-N 1 0 325.340 1.311 20 5 EDBDRO COc1c(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cccc1[N+](=O)[O-] ZINC000452380407 305395322 /nfs/dbraw/zinc/39/53/22/305395322.db2.gz SSOGKQFQYPORAE-LBPRGKRZSA-N 1 0 337.376 1.180 20 5 EDBDRO CC(C)(C(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1ccccc1[N+](=O)[O-] ZINC000452386890 305396772 /nfs/dbraw/zinc/39/67/72/305396772.db2.gz YGHHQXOGNDJVPN-CQSZACIVSA-N 1 0 349.431 1.835 20 5 EDBDRO CNc1nc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000456025497 305450191 /nfs/dbraw/zinc/45/01/91/305450191.db2.gz VYFAYNXURUGCOB-LLVKDONJSA-N 1 0 335.408 1.834 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)c1 ZINC000502579820 305692904 /nfs/dbraw/zinc/69/29/04/305692904.db2.gz FBYFISYIRMJBCT-QJPTWQEYSA-N 1 0 334.323 1.292 20 5 EDBDRO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000514931972 305709819 /nfs/dbraw/zinc/70/98/19/305709819.db2.gz LYCACQNYMQPMSJ-OAHLLOKOSA-N 1 0 343.387 1.525 20 5 EDBDRO Cn1ccnc1[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000534579633 306008168 /nfs/dbraw/zinc/00/81/68/306008168.db2.gz YQVIVZAOZGHPIR-ZDUSSCGKSA-N 1 0 329.360 1.417 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[N@H+]2CC[C@H](C)C2)c1 ZINC000544659125 306077786 /nfs/dbraw/zinc/07/77/86/306077786.db2.gz FANYNZKKUUQOOS-NSHDSACASA-N 1 0 341.433 1.832 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000548698522 306135739 /nfs/dbraw/zinc/13/57/39/306135739.db2.gz NOGSUEFFJLEURR-GFCCVEGCSA-N 1 0 327.406 1.666 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000419757911 447397566 /nfs/dbraw/zinc/39/75/66/447397566.db2.gz JLMQEKJGWBPLHJ-JSGCOSHPSA-N 1 0 348.403 1.153 20 5 EDBDRO Cc1cc(NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000415423525 447423176 /nfs/dbraw/zinc/42/31/76/447423176.db2.gz YVSQGMJAFWVHEK-LBPRGKRZSA-N 1 0 349.391 1.222 20 5 EDBDRO O=C(NCCCC[NH+]1CCOCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058900290 441218215 /nfs/dbraw/zinc/21/82/15/441218215.db2.gz PEXJMAIJTTZQMQ-UHFFFAOYSA-N 1 0 346.387 1.918 20 5 EDBDRO C[C@@H]1C[N@@H+](CCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000025151610 441331673 /nfs/dbraw/zinc/33/16/73/441331673.db2.gz VVQJJIFMBXQNKP-TXEJJXNPSA-N 1 0 336.392 1.605 20 5 EDBDRO Cc1cc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000081764978 441310873 /nfs/dbraw/zinc/31/08/73/441310873.db2.gz DRMLFYZEHDXXIF-ZDUSSCGKSA-N 1 0 349.435 1.099 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000073842146 441359602 /nfs/dbraw/zinc/35/96/02/441359602.db2.gz ZERPHXSZEJOJDE-NSHDSACASA-N 1 0 325.390 1.357 20 5 EDBDRO COC(=O)C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000026219667 441371265 /nfs/dbraw/zinc/37/12/65/441371265.db2.gz FBSVPPMFBYAVKZ-UHFFFAOYSA-N 1 0 335.360 1.808 20 5 EDBDRO Cc1n[nH]c(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000064355234 441375954 /nfs/dbraw/zinc/37/59/54/441375954.db2.gz DDRJUGRXNLXCIX-UHFFFAOYSA-N 1 0 347.375 1.497 20 5 EDBDRO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H]1CCCOC1 ZINC000107696148 441425331 /nfs/dbraw/zinc/42/53/31/441425331.db2.gz ALKKRDQZCCRTLH-ZDUSSCGKSA-N 1 0 333.388 1.842 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000108617964 441469234 /nfs/dbraw/zinc/46/92/34/441469234.db2.gz VXCTYPRQCKYTIU-CQSZACIVSA-N 1 0 346.387 1.442 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000074970960 441483594 /nfs/dbraw/zinc/48/35/94/441483594.db2.gz HNLRBEKAJZYUPS-OLZOCXBDSA-N 1 0 339.417 1.760 20 5 EDBDRO CC[NH+](CC)CCOC1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000075063835 441491656 /nfs/dbraw/zinc/49/16/56/441491656.db2.gz HYRMCXNGDCANRH-UHFFFAOYSA-N 1 0 338.412 1.294 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000088229597 441499995 /nfs/dbraw/zinc/49/99/95/441499995.db2.gz GLQPDRPHRPIPGK-UHFFFAOYSA-N 1 0 335.364 1.283 20 5 EDBDRO CN(C(=O)C[NH2+]C1(C(N)=O)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000088545403 441512440 /nfs/dbraw/zinc/51/24/40/441512440.db2.gz RGDQJHXOCLAUFR-UHFFFAOYSA-N 1 0 334.376 1.335 20 5 EDBDRO CN1CC[NH+](CCCCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000075654429 441545985 /nfs/dbraw/zinc/54/59/85/441545985.db2.gz XAOZXSXTPXVXKB-CMDGGOBGSA-N 1 0 346.431 1.752 20 5 EDBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000109846553 441509939 /nfs/dbraw/zinc/50/99/39/441509939.db2.gz RTKQDARQOQTSGV-UHFFFAOYSA-N 1 0 335.408 1.696 20 5 EDBDRO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000054394981 441575626 /nfs/dbraw/zinc/57/56/26/441575626.db2.gz SDGFYOAIQYXMHK-CYBMUJFWSA-N 1 0 335.360 1.611 20 5 EDBDRO COC(=O)CC1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCCCC1 ZINC000090559404 441634165 /nfs/dbraw/zinc/63/41/65/441634165.db2.gz FLBXRUJCVIFNRT-UHFFFAOYSA-N 1 0 337.376 1.612 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000090559401 441634260 /nfs/dbraw/zinc/63/42/60/441634260.db2.gz DABNKAPZCAEZPK-MRXNPFEDSA-N 1 0 329.356 1.348 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000067592314 441655180 /nfs/dbraw/zinc/65/51/80/441655180.db2.gz ROSFXPLCGBAWBM-MRXNPFEDSA-N 1 0 343.387 1.851 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000041597167 441661767 /nfs/dbraw/zinc/66/17/67/441661767.db2.gz UOQKFSJOLBHSLL-GFCCVEGCSA-N 1 0 334.376 1.442 20 5 EDBDRO Cc1c(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000067782126 441679262 /nfs/dbraw/zinc/67/92/62/441679262.db2.gz XXRJVSJLMBTTRW-CYBMUJFWSA-N 1 0 348.403 1.688 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000121434254 441705125 /nfs/dbraw/zinc/70/51/25/441705125.db2.gz GBMMJLPKPJXRMQ-CYBMUJFWSA-N 1 0 348.403 1.560 20 5 EDBDRO C[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C[NH+]1CCCC1 ZINC000068103480 441731946 /nfs/dbraw/zinc/73/19/46/441731946.db2.gz GJQJQFZTYIVSCY-LLVKDONJSA-N 1 0 331.376 1.933 20 5 EDBDRO [NH3+][C@@H](CNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000137327389 441763826 /nfs/dbraw/zinc/76/38/26/441763826.db2.gz ZLIXDVOEOPORHE-LBPRGKRZSA-N 1 0 348.359 1.136 20 5 EDBDRO CCC[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1CCOC ZINC000121714598 441765234 /nfs/dbraw/zinc/76/52/34/441765234.db2.gz INYRPGKFTRSJOS-CQSZACIVSA-N 1 0 325.413 1.224 20 5 EDBDRO CCC[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CCOC ZINC000121856805 441797025 /nfs/dbraw/zinc/79/70/25/441797025.db2.gz WOUBHNXSMHXGKX-CQSZACIVSA-N 1 0 325.413 1.224 20 5 EDBDRO C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000077523826 441798133 /nfs/dbraw/zinc/79/81/33/441798133.db2.gz SHUPRCLFNJKNDX-UHFFFAOYSA-N 1 0 332.404 1.973 20 5 EDBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173651738 441814326 /nfs/dbraw/zinc/81/43/26/441814326.db2.gz REBHKJTXJIAENB-UHFFFAOYSA-N 1 0 334.420 1.233 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000160793986 441921834 /nfs/dbraw/zinc/92/18/34/441921834.db2.gz ODHDTAHDDTVMKX-OAHLLOKOSA-N 1 0 332.404 1.822 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000069129286 441896047 /nfs/dbraw/zinc/89/60/47/441896047.db2.gz AHAUSQVFYMQMLB-JTQLQIEISA-N 1 0 343.405 1.364 20 5 EDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000161034714 441948628 /nfs/dbraw/zinc/94/86/28/441948628.db2.gz YZSOGGRKHAQDNB-UWVGGRQHSA-N 1 0 330.344 1.436 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000150789148 441951123 /nfs/dbraw/zinc/95/11/23/441951123.db2.gz ZRHAAFGBIVEUMF-LLVKDONJSA-N 1 0 345.421 1.612 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000069501357 441953352 /nfs/dbraw/zinc/95/33/52/441953352.db2.gz OFSUHJJFAODXJA-LBPRGKRZSA-N 1 0 325.340 1.575 20 5 EDBDRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000125173068 441993454 /nfs/dbraw/zinc/99/34/54/441993454.db2.gz MEYNBRLDURUWKT-VHSXEESVSA-N 1 0 333.797 1.796 20 5 EDBDRO CS(=O)(=O)CCCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000161460089 442001590 /nfs/dbraw/zinc/00/15/90/442001590.db2.gz IXUFTLVDWDIYNE-UHFFFAOYSA-N 1 0 341.433 1.542 20 5 EDBDRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000127271927 442188141 /nfs/dbraw/zinc/18/81/41/442188141.db2.gz ZSZWMNFOSAWZSY-QWRGUYRKSA-N 1 0 348.359 1.054 20 5 EDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000152871440 442248462 /nfs/dbraw/zinc/24/84/62/442248462.db2.gz XPZPAUPPXBUMAS-XHDPSFHLSA-N 1 0 341.433 1.504 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000177531129 442354444 /nfs/dbraw/zinc/35/44/44/442354444.db2.gz SKJOISOOLDFMTB-CYBMUJFWSA-N 1 0 334.376 1.394 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000177446067 442342599 /nfs/dbraw/zinc/34/25/99/442342599.db2.gz BVFNBNLQNGNRGN-DZGCQCFKSA-N 1 0 343.387 1.571 20 5 EDBDRO CCOc1cc(C(=O)NC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000130395838 442345593 /nfs/dbraw/zinc/34/55/93/442345593.db2.gz OCDHSIYTLFJPDW-LLVKDONJSA-N 1 0 337.376 1.874 20 5 EDBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000171504951 442353499 /nfs/dbraw/zinc/35/34/99/442353499.db2.gz UFEDSRFKJVRINF-LLVKDONJSA-N 1 0 343.405 1.366 20 5 EDBDRO CC(C)N1CCC[C@H]([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000177734921 442377723 /nfs/dbraw/zinc/37/77/23/442377723.db2.gz RXWRKRXHWXFLJT-ZFWWWQNUSA-N 1 0 347.419 1.875 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000172077518 442406993 /nfs/dbraw/zinc/40/69/93/442406993.db2.gz UIPDNJMBUNHDFX-CYBMUJFWSA-N 1 0 327.406 1.308 20 5 EDBDRO O=C(NCCC[NH+]1CCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000172205636 442423976 /nfs/dbraw/zinc/42/39/76/442423976.db2.gz INCYDWUUZJCOFT-UHFFFAOYSA-N 1 0 344.371 1.652 20 5 EDBDRO CCc1n[nH]c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000178679896 442455736 /nfs/dbraw/zinc/45/57/36/442455736.db2.gz XUMUUFQICQTRRQ-BXUZGUMPSA-N 1 0 347.419 1.969 20 5 EDBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000180189677 442556445 /nfs/dbraw/zinc/55/64/45/442556445.db2.gz XJNSWWMXOKTDLX-UHFFFAOYSA-N 1 0 343.449 1.739 20 5 EDBDRO O=C1NCCCN1C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000135423419 442595119 /nfs/dbraw/zinc/59/51/19/442595119.db2.gz FQZVYRRNFWSUMQ-UHFFFAOYSA-N 1 0 348.403 1.853 20 5 EDBDRO Cc1c(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000186709085 442597079 /nfs/dbraw/zinc/59/70/79/442597079.db2.gz MWXLYSXISNZAPF-PELKAZGASA-N 1 0 336.348 1.848 20 5 EDBDRO Cc1c(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000192465220 442649648 /nfs/dbraw/zinc/64/96/48/442649648.db2.gz GPPLVSIHMMGSSN-TXEJJXNPSA-N 1 0 348.359 1.753 20 5 EDBDRO Cc1c(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cccc1[N+](=O)[O-] ZINC000173216013 442625622 /nfs/dbraw/zinc/62/56/22/442625622.db2.gz XXPGMZPHTHMDDH-CYBMUJFWSA-N 1 0 344.371 1.314 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000192625523 442669529 /nfs/dbraw/zinc/66/95/29/442669529.db2.gz LYYKZGXGVQVALF-UHFFFAOYSA-N 1 0 325.365 1.302 20 5 EDBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc2c(c1)OCO2 ZINC000182263624 442751287 /nfs/dbraw/zinc/75/12/87/442751287.db2.gz XSTJSRABPSLHDP-LLVKDONJSA-N 1 0 331.328 1.836 20 5 EDBDRO C[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000188743724 442801728 /nfs/dbraw/zinc/80/17/28/442801728.db2.gz CCCHWVKBRJXQLV-VFNNOXKTSA-N 1 0 347.415 1.912 20 5 EDBDRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000193880641 442804507 /nfs/dbraw/zinc/80/45/07/442804507.db2.gz BJZHEJYFLKZQQR-NSHDSACASA-N 1 0 345.396 1.887 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000193624712 442761116 /nfs/dbraw/zinc/76/11/16/442761116.db2.gz PGTGZNUYSZKKFB-MEBBXXQBSA-N 1 0 334.376 1.346 20 5 EDBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000265577117 442831066 /nfs/dbraw/zinc/83/10/66/442831066.db2.gz IFQJJBSLUQFZLD-UHFFFAOYSA-N 1 0 341.795 1.825 20 5 EDBDRO CC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246822235 442815899 /nfs/dbraw/zinc/81/58/99/442815899.db2.gz NTYSJXMDYPJVND-DLBZAZTESA-N 1 0 348.403 1.425 20 5 EDBDRO COc1cc(N[C@H](C)CN2CC[NH+](C)CC2)c([N+](=O)[O-])cc1F ZINC000268200288 442897723 /nfs/dbraw/zinc/89/77/23/442897723.db2.gz OJZPTDXUTCGTIJ-LLVKDONJSA-N 1 0 326.372 1.790 20 5 EDBDRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000194735650 442944587 /nfs/dbraw/zinc/94/45/87/442944587.db2.gz BGIZROONCTXRDM-JTQLQIEISA-N 1 0 347.824 1.929 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000194744140 442946911 /nfs/dbraw/zinc/94/69/11/442946911.db2.gz REDJIPPHOLGOIG-CYBMUJFWSA-N 1 0 329.360 1.605 20 5 EDBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249512052 442980281 /nfs/dbraw/zinc/98/02/81/442980281.db2.gz OAAPMRPFQVDNPO-HZSPNIEDSA-N 1 0 328.438 1.806 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000251437240 443014014 /nfs/dbraw/zinc/01/40/14/443014014.db2.gz CCFBSRPWMYYPMT-NSDHSQQOSA-N 1 0 333.388 1.522 20 5 EDBDRO CC(C)(C(=O)NCCC[NH2+]Cc1cccnc1)n1cc([N+](=O)[O-])cn1 ZINC000236707048 443145529 /nfs/dbraw/zinc/14/55/29/443145529.db2.gz VDUBLLLVGIKQQT-UHFFFAOYSA-N 1 0 346.391 1.218 20 5 EDBDRO [NH3+][C@H]1Cc2ccccc2N(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000261730441 443166456 /nfs/dbraw/zinc/16/64/56/443166456.db2.gz RRIYRIDJLAGXKM-AWEZNQCLSA-N 1 0 347.396 1.815 20 5 EDBDRO C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237301655 443167921 /nfs/dbraw/zinc/16/79/21/443167921.db2.gz NYGUTNHPDZTZLL-NXEZZACHSA-N 1 0 329.784 1.987 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1C ZINC000261887350 443173194 /nfs/dbraw/zinc/17/31/94/443173194.db2.gz NIIUCIJAFRLILN-CHWSQXEVSA-N 1 0 339.417 1.442 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c1C ZINC000262066710 443182547 /nfs/dbraw/zinc/18/25/47/443182547.db2.gz FOTVFSUSVOVXBU-GWCFXTLKSA-N 1 0 327.406 1.569 20 5 EDBDRO CCCC[C@@H](C[NH3+])NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269183980 443225384 /nfs/dbraw/zinc/22/53/84/443225384.db2.gz CLKBRGZQGZQMQE-ZDUSSCGKSA-N 1 0 336.392 1.348 20 5 EDBDRO Cc1c(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000269210708 443233906 /nfs/dbraw/zinc/23/39/06/443233906.db2.gz NUADXKOGWMLSLH-PRHODGIISA-N 1 0 336.348 1.929 20 5 EDBDRO C[NH2+][C@H]1CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 ZINC000269140820 443210723 /nfs/dbraw/zinc/21/07/23/443210723.db2.gz VWORRPVHYGZTBY-NSHDSACASA-N 1 0 348.359 1.103 20 5 EDBDRO COC(=O)c1cn([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000359973926 319114884 /nfs/dbraw/zinc/11/48/84/319114884.db2.gz MRFBFVAQOPOQOH-ZDUSSCGKSA-N 1 0 331.332 1.420 20 5 EDBDRO COC(=O)[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000411901752 319212830 /nfs/dbraw/zinc/21/28/30/319212830.db2.gz HFCJYBYYQJBDRP-ZDUSSCGKSA-N 1 0 337.376 1.010 20 5 EDBDRO O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412284990 319229841 /nfs/dbraw/zinc/22/98/41/319229841.db2.gz ZMKXOSMENMIQJZ-JKSUJKDBSA-N 1 0 333.388 1.537 20 5 EDBDRO Cc1c(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000415809802 319372069 /nfs/dbraw/zinc/37/20/69/319372069.db2.gz NLRKJPNRNMIBAX-VXGBXAGGSA-N 1 0 334.376 1.475 20 5 EDBDRO C[NH+]1CCC(O)(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000267018111 443314705 /nfs/dbraw/zinc/31/47/05/443314705.db2.gz CGJFXCYLHMBUGD-UHFFFAOYSA-N 1 0 349.412 1.996 20 5 EDBDRO C[NH+]1CCN(CCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278436982 443331393 /nfs/dbraw/zinc/33/13/93/443331393.db2.gz QGNJZNPCCORLAX-UHFFFAOYSA-N 1 0 333.314 1.668 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000191458460 443296823 /nfs/dbraw/zinc/29/68/23/443296823.db2.gz MHXUVBVMMPLUSU-ZDUSSCGKSA-N 1 0 331.376 1.844 20 5 EDBDRO C[NH+](C)C[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000269580720 443354583 /nfs/dbraw/zinc/35/45/83/443354583.db2.gz AVAWLOGARVBVMH-AWEZNQCLSA-N 1 0 344.371 1.176 20 5 EDBDRO C[C@H]1C[N@H+](CCCNC(=O)c2cc(F)ccc2[N+](=O)[O-])CCCO1 ZINC000278540573 443358097 /nfs/dbraw/zinc/35/80/97/443358097.db2.gz NZEAFDWTCCVYHA-LBPRGKRZSA-N 1 0 339.367 1.965 20 5 EDBDRO COC(=O)c1cc(Oc2ncnc3c2C[N@H+](C)CC3)ccc1[N+](=O)[O-] ZINC000264763643 443413290 /nfs/dbraw/zinc/41/32/90/443413290.db2.gz IVGPIUQPQPEXCU-UHFFFAOYSA-N 1 0 344.327 1.952 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420368325 319611533 /nfs/dbraw/zinc/61/15/33/319611533.db2.gz NOQJJQJWPGZJFW-GLKRBJQHSA-N 1 0 336.392 1.518 20 5 EDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)C(=O)NCCF ZINC000282763534 443427210 /nfs/dbraw/zinc/42/72/10/443427210.db2.gz OKVHXWISZRFGEQ-QWRGUYRKSA-N 1 0 340.355 1.376 20 5 EDBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000264737396 443399133 /nfs/dbraw/zinc/39/91/33/443399133.db2.gz JXQJFJWMUUIAPE-ZDUSSCGKSA-N 1 0 338.433 1.049 20 5 EDBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000267576110 443502415 /nfs/dbraw/zinc/50/24/15/443502415.db2.gz YEZPXNFQQOQYGJ-XHDPSFHLSA-N 1 0 336.348 1.660 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000423602970 319790333 /nfs/dbraw/zinc/79/03/33/319790333.db2.gz HRRKEAVKDWXFIZ-GXTWGEPZSA-N 1 0 348.403 1.302 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)NCCC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000423704991 319804995 /nfs/dbraw/zinc/80/49/95/319804995.db2.gz NQNFYPTWKVPTIR-CQSZACIVSA-N 1 0 348.403 1.281 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272219140 443558987 /nfs/dbraw/zinc/55/89/87/443558987.db2.gz KDPYWGISTVGEEA-JTQLQIEISA-N 1 0 335.389 1.814 20 5 EDBDRO C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272263941 443572689 /nfs/dbraw/zinc/57/26/89/443572689.db2.gz KNBXBURNQHRZOO-TZMCWYRMSA-N 1 0 343.387 1.958 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000286170280 443660743 /nfs/dbraw/zinc/66/07/43/443660743.db2.gz MJWVSZISWTXFPN-DGCLKSJQSA-N 1 0 334.376 1.285 20 5 EDBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286184020 443664133 /nfs/dbraw/zinc/66/41/33/443664133.db2.gz VBWTZMCHIGZOFM-RISCZKNCSA-N 1 0 329.360 1.568 20 5 EDBDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000449197747 320178107 /nfs/dbraw/zinc/17/81/07/320178107.db2.gz XKDQJIFTJWKTRM-OCCSQVGLSA-N 1 0 345.403 1.868 20 5 EDBDRO COc1nccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000449373711 320185548 /nfs/dbraw/zinc/18/55/48/320185548.db2.gz UMRPZTHCVMGNGN-NSHDSACASA-N 1 0 345.359 1.900 20 5 EDBDRO COc1cc(OCC(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)ccc1[N+](=O)[O-] ZINC000449735471 320203053 /nfs/dbraw/zinc/20/30/53/320203053.db2.gz UJRVBBIDPSXKAI-SMDDNHRTSA-N 1 0 335.360 1.193 20 5 EDBDRO CC(C)N(Cc1cn(CC(N)=O)nn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000459304860 320345709 /nfs/dbraw/zinc/34/57/09/320345709.db2.gz PLRCKRFOGASLQA-UHFFFAOYSA-N 1 0 332.364 1.082 20 5 EDBDRO CC(C)C[N@@H+](Cc1cnn(C)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000459595094 320348817 /nfs/dbraw/zinc/34/88/17/320348817.db2.gz QSSPNZVMHSIJEZ-OAHLLOKOSA-N 1 0 336.396 1.044 20 5 EDBDRO CC[N@@H+]1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000286306412 443687261 /nfs/dbraw/zinc/68/72/61/443687261.db2.gz CSCGMVFHMXBVOY-GFCCVEGCSA-N 1 0 336.392 1.568 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC=C(c3ccncc3)C2)c1 ZINC000286254678 443677961 /nfs/dbraw/zinc/67/79/61/443677961.db2.gz AVMOXJFAIDMUHS-INIZCTEOSA-N 1 0 329.360 1.337 20 5 EDBDRO CN1CCO[C@H]2CC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000284956994 443798167 /nfs/dbraw/zinc/79/81/67/443798167.db2.gz XEBZTTAQRTXZND-SJORKVTESA-N 1 0 335.404 1.769 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](O)C23CCCC3)c1 ZINC000292677983 443815932 /nfs/dbraw/zinc/81/59/32/443815932.db2.gz JKIKOVCREPCEID-ZBFHGGJFSA-N 1 0 336.388 1.714 20 5 EDBDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000284985988 443808840 /nfs/dbraw/zinc/80/88/40/443808840.db2.gz YFGPXXQLJHYUPD-CYBMUJFWSA-N 1 0 336.392 1.137 20 5 EDBDRO CCOc1cc(CN2CC[NH+]([C@@H](CC)CO)CC2)ccc1[N+](=O)[O-] ZINC000276878539 443862438 /nfs/dbraw/zinc/86/24/38/443862438.db2.gz IMJXFEUQSFZOFY-HNNXBMFYSA-N 1 0 337.420 1.882 20 5 EDBDRO Cn1nccc1[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000281422130 443906636 /nfs/dbraw/zinc/90/66/36/443906636.db2.gz OSCHDDDWLBATFC-UKRRQHHQSA-N 1 0 334.380 1.113 20 5 EDBDRO Cc1ccc(NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000285241260 443909745 /nfs/dbraw/zinc/90/97/45/443909745.db2.gz YPFLBTRQUWJOKB-GJZGRUSLSA-N 1 0 334.376 1.840 20 5 EDBDRO C[N@@H+]1CCC[C@]2(CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000293093774 443922474 /nfs/dbraw/zinc/92/24/74/443922474.db2.gz XGNLHINVCPQUSS-WMZOPIPTSA-N 1 0 349.431 1.752 20 5 EDBDRO C[C@@H](C[S@](C)=O)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299172476 443974758 /nfs/dbraw/zinc/97/47/58/443974758.db2.gz YGUGRPJQYDTMMJ-SAHAZLINSA-N 1 0 327.406 1.622 20 5 EDBDRO O=C1NC(=O)C2(CCC([NH2+]CCc3cccc([N+](=O)[O-])c3)CC2)N1 ZINC000553579648 320943676 /nfs/dbraw/zinc/94/36/76/320943676.db2.gz PTXXJOSWJHAOAN-UHFFFAOYSA-N 1 0 332.360 1.248 20 5 EDBDRO C[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000293642146 444078220 /nfs/dbraw/zinc/07/82/20/444078220.db2.gz AZFRNCQZDLCCLU-GFCCVEGCSA-N 1 0 331.376 1.708 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[NH2+]C(C)C ZINC000561003876 321030809 /nfs/dbraw/zinc/03/08/09/321030809.db2.gz QMCIELKZVMKHLG-UHFFFAOYSA-N 1 0 338.364 1.046 20 5 EDBDRO C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1ccc(F)cc1 ZINC000564853416 321151482 /nfs/dbraw/zinc/15/14/82/321151482.db2.gz CDTYSHPUSCITJB-FZMZJTMJSA-N 1 0 338.339 1.348 20 5 EDBDRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)NC(=O)NC1=O ZINC000289271793 444092571 /nfs/dbraw/zinc/09/25/71/444092571.db2.gz GJHUOFMMGWBYFA-BBRMVZONSA-N 1 0 332.360 1.547 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000565660349 321196101 /nfs/dbraw/zinc/19/61/01/321196101.db2.gz XIKMCSDHEVHLBY-HIFRSBDPSA-N 1 0 346.431 1.925 20 5 EDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000566213116 321222744 /nfs/dbraw/zinc/22/27/44/321222744.db2.gz YKHFTTHIDNEVOK-VHSXEESVSA-N 1 0 330.344 1.706 20 5 EDBDRO Cc1ccc(OCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000571026120 321367512 /nfs/dbraw/zinc/36/75/12/321367512.db2.gz HHYBNPJQFLHTRS-OAHLLOKOSA-N 1 0 334.376 1.438 20 5 EDBDRO CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000301070084 444141869 /nfs/dbraw/zinc/14/18/69/444141869.db2.gz CATPGTLNQFSULG-UHFFFAOYSA-N 1 0 332.404 1.973 20 5 EDBDRO CC[N@@H+]1CCCC[C@H]1CNc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301242356 444157347 /nfs/dbraw/zinc/15/73/47/444157347.db2.gz KCFVDJQVSLJEKA-LBPRGKRZSA-N 1 0 331.376 1.889 20 5 EDBDRO CN1C(=O)N[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000285941499 444159221 /nfs/dbraw/zinc/15/92/21/444159221.db2.gz MFRVYGNHIWVNGS-OLZOCXBDSA-N 1 0 347.375 1.021 20 5 EDBDRO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2csc([N+](=O)[O-])c2)NC(=O)NC1=O ZINC000289510801 444162256 /nfs/dbraw/zinc/16/22/56/444162256.db2.gz GSOOXDORBURDPE-IINYFYTJSA-N 1 0 338.389 1.609 20 5 EDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000285982905 444168629 /nfs/dbraw/zinc/16/86/29/444168629.db2.gz HXDYLMIKYCEEGH-JRPNMDOOSA-N 1 0 344.375 1.292 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000302138294 444205554 /nfs/dbraw/zinc/20/55/54/444205554.db2.gz NPPTXLHLTCCNTC-NSHDSACASA-N 1 0 342.421 1.386 20 5 EDBDRO C[N@@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC000301658093 444183726 /nfs/dbraw/zinc/18/37/26/444183726.db2.gz LQUYZUQIGVWDFR-MNOVXSKESA-N 1 0 343.181 1.272 20 5 EDBDRO CNS(=O)(=O)c1ccc(N[C@H]2CC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000301919735 444197079 /nfs/dbraw/zinc/19/70/79/444197079.db2.gz IPDRLULZJPKKFS-WDEREUQCSA-N 1 0 342.421 1.398 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000317256291 444314609 /nfs/dbraw/zinc/31/46/09/444314609.db2.gz PPKSLBZNNDTHOT-JSGCOSHPSA-N 1 0 327.406 1.484 20 5 EDBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290410551 444277324 /nfs/dbraw/zinc/27/73/24/444277324.db2.gz MMMVSHYHFJYBCD-KGLIPLIRSA-N 1 0 328.372 1.617 20 5 EDBDRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000297723833 444324089 /nfs/dbraw/zinc/32/40/89/444324089.db2.gz BPCRUGIKBSAZIP-CYBMUJFWSA-N 1 0 348.403 1.690 20 5 EDBDRO Cc1nccn1CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000297890549 444349353 /nfs/dbraw/zinc/34/93/53/444349353.db2.gz RSOZNYUBYDGRMK-UHFFFAOYSA-N 1 0 329.360 1.449 20 5 EDBDRO COCC1(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000326604107 444376831 /nfs/dbraw/zinc/37/68/31/444376831.db2.gz HDDVUNSTZXBAOI-QPJJXVBHSA-N 1 0 333.388 1.740 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000319857427 444326380 /nfs/dbraw/zinc/32/63/80/444326380.db2.gz QOBMJOCEAZGLIN-GFCCVEGCSA-N 1 0 339.417 1.856 20 5 EDBDRO C[C@@H]1C[C@@H](Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[N@@H+]1C1CC1 ZINC000290861071 444331441 /nfs/dbraw/zinc/33/14/41/444331441.db2.gz YPBHHJGDIGQXNJ-NXEZZACHSA-N 1 0 340.405 1.279 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000579335069 321920169 /nfs/dbraw/zinc/92/01/69/321920169.db2.gz GUYQFERAPWVVFV-YPMHNXCESA-N 1 0 325.390 1.194 20 5 EDBDRO C[NH+](C)C[C@H]1CCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331166129 444427032 /nfs/dbraw/zinc/42/70/32/444427032.db2.gz YEMMXPUCSUWZRH-SNVBAGLBSA-N 1 0 327.331 1.968 20 5 EDBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)C[C@@H]21 ZINC000580946940 322115480 /nfs/dbraw/zinc/11/54/80/322115480.db2.gz NOOFXAVSTXTWFC-ZMLRMANQSA-N 1 0 333.344 1.523 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000581835481 322223142 /nfs/dbraw/zinc/22/31/42/322223142.db2.gz AZKXHJGQANGVDK-VXGBXAGGSA-N 1 0 327.406 1.569 20 5 EDBDRO CN1CCO[C@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000342150904 444535726 /nfs/dbraw/zinc/53/57/26/444535726.db2.gz JMAFNTJEPNCJRZ-CVEARBPZSA-N 1 0 348.403 1.328 20 5 EDBDRO CC[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CCN1CCOC ZINC000343751253 444564823 /nfs/dbraw/zinc/56/48/23/444564823.db2.gz BWLRUVUBAATTJN-AWEZNQCLSA-N 1 0 339.367 1.917 20 5 EDBDRO CN(c1ncnc2sc([N+](=O)[O-])cc21)C1CC[NH+](CCO)CC1 ZINC000342240497 444582411 /nfs/dbraw/zinc/58/24/11/444582411.db2.gz FLIKAJJHPBLAIH-UHFFFAOYSA-N 1 0 337.405 1.492 20 5 EDBDRO COC(=O)CN(C)C(=O)CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338362890 444656413 /nfs/dbraw/zinc/65/64/13/444656413.db2.gz QMRPZVLLTKGGES-UHFFFAOYSA-N 1 0 337.376 1.091 20 5 EDBDRO CS[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000342539611 444736901 /nfs/dbraw/zinc/73/69/01/444736901.db2.gz GEPXMJDMJFJEFZ-LSDHHAIUSA-N 1 0 325.434 1.951 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3C[C@@H]4CC[C@@H](O)[C@@H]4C3)o2)cc1 ZINC000344026459 444737238 /nfs/dbraw/zinc/73/72/38/444737238.db2.gz JWLVDOSJZIBZDO-IACUBPJLSA-N 1 0 330.344 1.848 20 5 EDBDRO O=C1[C@H]([N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000344048895 444749510 /nfs/dbraw/zinc/74/95/10/444749510.db2.gz ZGJDMUGAIOONMU-KSYCFECVSA-N 1 0 331.372 1.403 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000338599325 444768129 /nfs/dbraw/zinc/76/81/29/444768129.db2.gz MVFICAHAHNDCTG-CQSZACIVSA-N 1 0 348.403 1.879 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000344080316 444770138 /nfs/dbraw/zinc/77/01/38/444770138.db2.gz ZAPUDRZKVRBWJH-CORIIIEPSA-N 1 0 349.387 1.635 20 5 EDBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000341329506 444781130 /nfs/dbraw/zinc/78/11/30/444781130.db2.gz PRUOPJUNBOIKEM-UHFFFAOYSA-N 1 0 338.408 1.553 20 5 EDBDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000344126344 444795015 /nfs/dbraw/zinc/79/50/15/444795015.db2.gz HFPVLOBWDLHOMQ-STQMWFEESA-N 1 0 349.387 1.986 20 5 EDBDRO CCCC[C@H](C[NH3+])Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000336853417 444803391 /nfs/dbraw/zinc/80/33/91/444803391.db2.gz HBZXEBLHNFGAIZ-SNVBAGLBSA-N 1 0 330.410 1.432 20 5 EDBDRO CCC[NH+]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000619153406 450418587 /nfs/dbraw/zinc/41/85/87/450418587.db2.gz DENAXBPOOIVPSK-UHFFFAOYSA-N 1 0 348.447 1.959 20 5 EDBDRO CC[N@@H+]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C[C@H]1C ZINC000619154587 450418612 /nfs/dbraw/zinc/41/86/12/450418612.db2.gz LAWJLULYGGIUAX-OAHLLOKOSA-N 1 0 348.447 1.957 20 5 EDBDRO C[C@@H]1C[NH+](CCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000344266017 444871328 /nfs/dbraw/zinc/87/13/28/444871328.db2.gz YODUEYSUBUERLT-VXGBXAGGSA-N 1 0 339.367 1.963 20 5 EDBDRO O=C(CC[N@@H+]1CCC[C@H]1Cn1ccnn1)Nc1ccccc1[N+](=O)[O-] ZINC000344357935 444916886 /nfs/dbraw/zinc/91/68/86/444916886.db2.gz VEFBBAJCQHAEON-ZDUSSCGKSA-N 1 0 344.375 1.680 20 5 EDBDRO Cc1n[nH]c(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000343061096 445034820 /nfs/dbraw/zinc/03/48/20/445034820.db2.gz CBHZQAQZIKWQPJ-QWHCGFSZSA-N 1 0 329.360 1.454 20 5 EDBDRO C[C@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000330665322 445087498 /nfs/dbraw/zinc/08/74/98/445087498.db2.gz GXBNSFSWRKCKKF-JTQLQIEISA-N 1 0 326.784 1.823 20 5 EDBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C(N)=O)C1 ZINC000337399222 445063063 /nfs/dbraw/zinc/06/30/63/445063063.db2.gz GPWQRTCEFOOQNW-SMDDNHRTSA-N 1 0 334.376 1.509 20 5 EDBDRO CC[NH+](CC)CC1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000330854885 445166856 /nfs/dbraw/zinc/16/68/56/445166856.db2.gz OYCCICVWAMUAQD-UHFFFAOYSA-N 1 0 335.408 1.766 20 5 EDBDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000342079948 445160642 /nfs/dbraw/zinc/16/06/42/445160642.db2.gz IKOSZVJMKPAXPL-TZMCWYRMSA-N 1 0 346.387 1.838 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000359775874 445421804 /nfs/dbraw/zinc/42/18/04/445421804.db2.gz UFFMTXDQVXVJIN-LRDDRELGSA-N 1 0 343.387 1.803 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000357090406 445422108 /nfs/dbraw/zinc/42/21/08/445422108.db2.gz VJYAWAHSDLJAIO-RYUDHWBXSA-N 1 0 334.376 1.083 20 5 EDBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000352013732 445438465 /nfs/dbraw/zinc/43/84/65/445438465.db2.gz KHESCISAJDFQNU-RYUDHWBXSA-N 1 0 349.387 1.460 20 5 EDBDRO C[C@H]1C[C@@H]1CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000348919331 445440439 /nfs/dbraw/zinc/44/04/39/445440439.db2.gz GBBJCYWMHCPKQH-WDEREUQCSA-N 1 0 327.406 1.419 20 5 EDBDRO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000349124927 445515751 /nfs/dbraw/zinc/51/57/51/445515751.db2.gz JIHVHSSPVFVXJZ-CQSZACIVSA-N 1 0 343.387 1.912 20 5 EDBDRO Cn1ccnc1[C@H](NC[C@@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000353402707 445592716 /nfs/dbraw/zinc/59/27/16/445592716.db2.gz JNSMPQWDRJHRJV-HZPDHXFCSA-N 1 0 345.403 1.338 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000360256117 445660083 /nfs/dbraw/zinc/66/00/83/445660083.db2.gz DZCFJYQTKQXSFV-UHFFFAOYSA-N 1 0 346.391 1.850 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363056186 445662947 /nfs/dbraw/zinc/66/29/47/445662947.db2.gz ULWSJEAYXRPPJQ-MELADBBJSA-N 1 0 331.372 1.857 20 5 EDBDRO C[C@@H](CC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000349953238 445732193 /nfs/dbraw/zinc/73/21/93/445732193.db2.gz UJWQXNYEZRDIIW-UWVGGRQHSA-N 1 0 340.405 1.114 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000356420658 445782394 /nfs/dbraw/zinc/78/23/94/445782394.db2.gz CFIDXJGLVMNNMV-UHFFFAOYSA-N 1 0 344.375 1.118 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000356731285 445973365 /nfs/dbraw/zinc/97/33/65/445973365.db2.gz OUTCBJLMSOTKHM-DOMZBBRYSA-N 1 0 329.360 1.504 20 5 EDBDRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000369269733 446033778 /nfs/dbraw/zinc/03/37/78/446033778.db2.gz XJQNKVHGAIHISC-ZDUSSCGKSA-N 1 0 332.404 1.493 20 5 EDBDRO COc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000366196119 446077546 /nfs/dbraw/zinc/07/75/46/446077546.db2.gz PMPSUBOMYJLACW-CQSZACIVSA-N 1 0 349.387 1.587 20 5 EDBDRO COc1cc(C[NH2+]C[C@H]2CCn3ccnc3C2)c([N+](=O)[O-])cc1O ZINC000369346939 446089445 /nfs/dbraw/zinc/08/94/45/446089445.db2.gz DIEOQEIEZIOQKC-NSHDSACASA-N 1 0 332.360 1.858 20 5 EDBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000366259552 446111825 /nfs/dbraw/zinc/11/18/25/446111825.db2.gz BWWZZURBDZMJOX-QGZVFWFLSA-N 1 0 332.404 1.875 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(Cl)cc2-n2cncn2)c1 ZINC000354409817 446185449 /nfs/dbraw/zinc/18/54/49/446185449.db2.gz LPUYJTNSFZVOPX-UHFFFAOYSA-N 1 0 347.766 1.815 20 5 EDBDRO COC(=O)c1cc(NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)cc([N+](=O)[O-])c1 ZINC000366637855 446289326 /nfs/dbraw/zinc/28/93/26/446289326.db2.gz YXCOERGFLJHHPH-BDJLRTHQSA-N 1 0 333.344 1.710 20 5 EDBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000365726845 446317969 /nfs/dbraw/zinc/31/79/69/446317969.db2.gz PHANYKUQLSMZGW-VQHPVUNQSA-N 1 0 329.400 1.632 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](S(=O)(=O)NC)C1 ZINC000366720782 446322487 /nfs/dbraw/zinc/32/24/87/446322487.db2.gz PIXMHLZIKHQNJH-CYBMUJFWSA-N 1 0 343.405 1.117 20 5 EDBDRO O=C1[C@H]([N@@H+]2CC[C@](O)(C3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365853795 446371757 /nfs/dbraw/zinc/37/17/57/446371757.db2.gz DMHOCEPYNCRTKW-NVXWUHKLSA-N 1 0 331.372 1.547 20 5 EDBDRO [NH3+]CCCN(CC1CCCC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000417918134 446385954 /nfs/dbraw/zinc/38/59/54/446385954.db2.gz XDVZPJXBFBHEPL-UHFFFAOYSA-N 1 0 338.412 1.342 20 5 EDBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411151483 446410394 /nfs/dbraw/zinc/41/03/94/446410394.db2.gz BWIGNNAVUNNJHE-AWEZNQCLSA-N 1 0 334.376 1.476 20 5 EDBDRO COCC[NH2+]CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423317384 446486120 /nfs/dbraw/zinc/48/61/20/446486120.db2.gz AXLDZIFSSFZQRT-HNNXBMFYSA-N 1 0 333.392 1.243 20 5 EDBDRO [NH3+]C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000420391564 446566519 /nfs/dbraw/zinc/56/65/19/446566519.db2.gz OMTOOBZTDFYRAH-LLVKDONJSA-N 1 0 342.783 1.236 20 5 EDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000420357806 446537170 /nfs/dbraw/zinc/53/71/70/446537170.db2.gz DSGLGVJOIGXMPG-BHTHQVBYSA-N 1 0 332.404 1.676 20 5 EDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420360618 446541857 /nfs/dbraw/zinc/54/18/57/446541857.db2.gz GMCJMUBJIWMEFA-DYVFJYSZSA-N 1 0 332.404 1.997 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000370969783 446547449 /nfs/dbraw/zinc/54/74/49/446547449.db2.gz TXRDGXVITGQKCH-CABCVRRESA-N 1 0 346.387 1.619 20 5 EDBDRO C[C@@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C[NH3+] ZINC000420395187 446570738 /nfs/dbraw/zinc/57/07/38/446570738.db2.gz CZUYALMVMKKVBD-OCCSQVGLSA-N 1 0 332.404 1.401 20 5 EDBDRO [NH3+][C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000420418736 446592978 /nfs/dbraw/zinc/59/29/78/446592978.db2.gz LVAYODRVDFUGFY-QMMMGPOBSA-N 1 0 339.295 1.335 20 5 EDBDRO C[C@@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000420420068 446593817 /nfs/dbraw/zinc/59/38/17/446593817.db2.gz ITGLUQNTAUYQNE-TZMCWYRMSA-N 1 0 341.433 1.526 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)cc([N+](=O)[O-])c1 ZINC000423747611 446676260 /nfs/dbraw/zinc/67/62/60/446676260.db2.gz QMUVCVMZUGFQOK-AWEZNQCLSA-N 1 0 349.387 1.889 20 5 EDBDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000423706205 446651085 /nfs/dbraw/zinc/65/10/85/446651085.db2.gz QFMXGKZXPFIGFE-OCCSQVGLSA-N 1 0 348.403 1.106 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000375232211 446659190 /nfs/dbraw/zinc/65/91/90/446659190.db2.gz DALYDCBPHUSQKR-WCQYABFASA-N 1 0 334.376 1.615 20 5 EDBDRO [NH3+]CCCn1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nn1 ZINC000423732707 446666280 /nfs/dbraw/zinc/66/62/80/446666280.db2.gz ZSZXRZHEVBJRRG-UHFFFAOYSA-N 1 0 344.375 1.340 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420452560 446628116 /nfs/dbraw/zinc/62/81/16/446628116.db2.gz SUJBOWFVZLPUOO-PWSUYJOCSA-N 1 0 327.406 1.563 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000375187412 446631506 /nfs/dbraw/zinc/63/15/06/446631506.db2.gz NKHRAKNCYHYOGA-GFCCVEGCSA-N 1 0 339.417 1.890 20 5 EDBDRO CC(C)[C@@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000420586495 446690800 /nfs/dbraw/zinc/69/08/00/446690800.db2.gz ODAVUUBXGGJLKG-OAHLLOKOSA-N 1 0 349.435 1.378 20 5 EDBDRO C[C@@H](NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000418783237 446700203 /nfs/dbraw/zinc/70/02/03/446700203.db2.gz OLJKVFHJNQQMIP-BXUZGUMPSA-N 1 0 334.376 1.112 20 5 EDBDRO CN(C[C@H]1CCCN1C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420628064 446709397 /nfs/dbraw/zinc/70/93/97/446709397.db2.gz AHMHHOJNZYZIKY-LLVKDONJSA-N 1 0 327.406 1.529 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411932498 446744273 /nfs/dbraw/zinc/74/42/73/446744273.db2.gz FVCVBGJPRSYXJG-HZPDHXFCSA-N 1 0 329.356 1.564 20 5 EDBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000411941537 446751049 /nfs/dbraw/zinc/75/10/49/446751049.db2.gz LQDUHZJRHMWLKG-CHWSQXEVSA-N 1 0 348.403 1.640 20 5 EDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]2[C@H]1c1ccccc1 ZINC000371301067 446755240 /nfs/dbraw/zinc/75/52/40/446755240.db2.gz DAGLCBSPNTVDEZ-DVOMOZLQSA-N 1 0 341.371 1.693 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000420761399 446799499 /nfs/dbraw/zinc/79/94/99/446799499.db2.gz HCQDIHHMXIVLTC-GFCCVEGCSA-N 1 0 327.406 1.618 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411955969 446760246 /nfs/dbraw/zinc/76/02/46/446760246.db2.gz QTFIHKKKVOAQDC-ZDUSSCGKSA-N 1 0 348.403 1.642 20 5 EDBDRO C[C@H]([NH2+][C@H](CO)[C@@H]1CCCOC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000411993706 446779209 /nfs/dbraw/zinc/77/92/09/446779209.db2.gz LXZDCSOCQRASGC-YWPYICTPSA-N 1 0 337.376 1.299 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)n1 ZINC000424001306 446817349 /nfs/dbraw/zinc/81/73/49/446817349.db2.gz PCODYPVNYHIWOG-CYBMUJFWSA-N 1 0 329.360 1.598 20 5 EDBDRO C[C@@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@H]1C[NH3+] ZINC000424006144 446817964 /nfs/dbraw/zinc/81/79/64/446817964.db2.gz UDGXZQZENJITHM-CHWSQXEVSA-N 1 0 343.387 1.837 20 5 EDBDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000368419090 446850389 /nfs/dbraw/zinc/85/03/89/446850389.db2.gz ZYJYWCJJBLGGBC-MGPQQGTHSA-N 1 0 337.424 1.307 20 5 EDBDRO C[C@H]1[C@H](CO)CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000412067539 446828931 /nfs/dbraw/zinc/82/89/31/446828931.db2.gz DTXSBARSWLRTPT-STQMWFEESA-N 1 0 349.387 1.986 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)n1 ZINC000424042361 446830212 /nfs/dbraw/zinc/83/02/12/446830212.db2.gz KZLFEULOHJNZRJ-UHFFFAOYSA-N 1 0 347.419 1.695 20 5 EDBDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000368419089 446850909 /nfs/dbraw/zinc/85/09/09/446850909.db2.gz ZYJYWCJJBLGGBC-MCIONIFRSA-N 1 0 337.424 1.307 20 5 EDBDRO Cn1ccnc1[C@H]1CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000368428895 446856162 /nfs/dbraw/zinc/85/61/62/446856162.db2.gz JNWSROGMAGZKLY-GOEBONIOSA-N 1 0 346.387 1.905 20 5 EDBDRO Cn1cc([C@@H]2CN(c3ccc4cc([N+](=O)[O-])ccc4n3)C[C@H]2[NH3+])cn1 ZINC000424419144 446871789 /nfs/dbraw/zinc/87/17/89/446871789.db2.gz ZVSIDFRSEYTRPQ-LSDHHAIUSA-N 1 0 338.371 1.808 20 5 EDBDRO COc1ccc(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000442785171 446967245 /nfs/dbraw/zinc/96/72/45/446967245.db2.gz XFVPGEIYMGKKAL-FUNVUKJBSA-N 1 0 348.403 1.757 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000420988899 446967703 /nfs/dbraw/zinc/96/77/03/446967703.db2.gz BDQFZRCFKAZXHQ-UONOGXRCSA-N 1 0 336.388 1.714 20 5 EDBDRO Cc1nn(CCC(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000368658576 447012258 /nfs/dbraw/zinc/01/22/58/447012258.db2.gz MDXXJNUBZPAKMF-SWLSCSKDSA-N 1 0 349.435 1.883 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@]12CCOC2 ZINC000421019837 446989865 /nfs/dbraw/zinc/98/98/65/446989865.db2.gz MVSYOCWKEQKZJY-INIZCTEOSA-N 1 0 335.360 1.797 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000419269878 447045797 /nfs/dbraw/zinc/04/57/97/447045797.db2.gz MTPNCYSLTKVBAD-IACUBPJLSA-N 1 0 348.403 1.324 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000419272457 447047878 /nfs/dbraw/zinc/04/78/78/447047878.db2.gz PQFKGDCUYVTCLV-OBJOEFQTSA-N 1 0 348.403 1.276 20 5 EDBDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000419276125 447051350 /nfs/dbraw/zinc/05/13/50/447051350.db2.gz SSSBHJLSGHWMLD-CMPLNLGQSA-N 1 0 336.392 1.052 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000419283465 447056413 /nfs/dbraw/zinc/05/64/13/447056413.db2.gz ZKCNHFDRVWSPFH-UPJWGTAASA-N 1 0 348.403 1.289 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000375818757 447079109 /nfs/dbraw/zinc/07/91/09/447079109.db2.gz WZNMXAZUBMPCNZ-JQHSSLGASA-N 1 0 349.431 1.893 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000444164116 447083403 /nfs/dbraw/zinc/08/34/03/447083403.db2.gz CUDDMXWZPDUIPZ-UHFFFAOYSA-N 1 0 333.385 1.743 20 5 EDBDRO CC[NH+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421766425 447243460 /nfs/dbraw/zinc/24/34/60/447243460.db2.gz FELXGBMXJQMVJX-UHFFFAOYSA-N 1 0 334.420 1.579 20 5 EDBDRO Cc1nc(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000450406452 447481366 /nfs/dbraw/zinc/48/13/66/447481366.db2.gz HJJJOVPYUWQMOS-LSDHHAIUSA-N 1 0 343.387 1.741 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC1([NH+](C)C)CC1 ZINC000416300148 447561089 /nfs/dbraw/zinc/56/10/89/447561089.db2.gz HXRVTCPGRSWKOG-LLVKDONJSA-N 1 0 338.412 1.038 20 5 EDBDRO CC(C)[C@@H]([NH3+])CCN(C)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000420202452 447667799 /nfs/dbraw/zinc/66/77/99/447667799.db2.gz JGMZYNNAEPSHCL-NSHDSACASA-N 1 0 330.410 1.052 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000420241079 447683819 /nfs/dbraw/zinc/68/38/19/447683819.db2.gz VKCWEZHYTMXJPL-AAEUAGOBSA-N 1 0 343.387 1.733 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000422841346 447766534 /nfs/dbraw/zinc/76/65/34/447766534.db2.gz CTMRQCHQSHLEAF-JSGCOSHPSA-N 1 0 348.403 1.219 20 5 EDBDRO CN1CCC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000451871717 447770191 /nfs/dbraw/zinc/77/01/91/447770191.db2.gz SGQAQEAISWWCAT-HOCLYGCPSA-N 1 0 345.403 1.713 20 5 EDBDRO [NH3+][C@H]1CCCCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423035107 447795451 /nfs/dbraw/zinc/79/54/51/447795451.db2.gz IVTJWAIKTXIYAC-LSDHHAIUSA-N 1 0 341.433 1.618 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCOc3ccc(F)cc3C2)c1 ZINC000489158022 447852217 /nfs/dbraw/zinc/85/22/17/447852217.db2.gz GKBNOZMRCNDRQB-CQSZACIVSA-N 1 0 336.323 1.186 20 5 EDBDRO CNc1nccc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000576050466 447960080 /nfs/dbraw/zinc/96/00/80/447960080.db2.gz HVTGFJKJHPMZBH-SJKOYZFVSA-N 1 0 349.435 2.272 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000555076559 448061716 /nfs/dbraw/zinc/06/17/16/448061716.db2.gz DQLCVIGFARENCW-MNOVXSKESA-N 1 0 332.303 1.648 20 5 EDBDRO CC1(C)CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000570737800 448058186 /nfs/dbraw/zinc/05/81/86/448058186.db2.gz RNDPUZCOIZRENP-UHFFFAOYSA-N 1 0 347.419 1.370 20 5 EDBDRO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000571149850 448110941 /nfs/dbraw/zinc/11/09/41/448110941.db2.gz ZAFJMHWCZSINCL-UHFFFAOYSA-N 1 0 348.403 1.113 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000532015129 448182988 /nfs/dbraw/zinc/18/29/88/448182988.db2.gz UAYHNPPWZRKPPL-NSHDSACASA-N 1 0 342.421 1.384 20 5 EDBDRO [NH3+]CCC1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000571532601 448169598 /nfs/dbraw/zinc/16/95/98/448169598.db2.gz UZELMZDBLZZTLD-UHFFFAOYSA-N 1 0 343.387 1.982 20 5 EDBDRO CSCc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000582416495 448231908 /nfs/dbraw/zinc/23/19/08/448231908.db2.gz YAJQDKLKALXZOO-HNNXBMFYSA-N 1 0 336.417 1.805 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000591018705 448233385 /nfs/dbraw/zinc/23/33/85/448233385.db2.gz CTIRKATVAGRJMC-UHFFFAOYSA-N 1 0 336.392 1.560 20 5 EDBDRO CNc1nccc(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000561182072 448233824 /nfs/dbraw/zinc/23/38/24/448233824.db2.gz HGQHYNRSGDTVQW-FRRDWIJNSA-N 1 0 349.435 2.128 20 5 EDBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492651581 448243861 /nfs/dbraw/zinc/24/38/61/448243861.db2.gz UMIDKJWNDYIFKD-IDTUSYRASA-N 1 0 346.431 1.750 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000492746853 448277371 /nfs/dbraw/zinc/27/73/71/448277371.db2.gz BWHANFVERPHMOP-BYTACQFHSA-N 1 0 333.388 1.522 20 5 EDBDRO CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515467606 448316876 /nfs/dbraw/zinc/31/68/76/448316876.db2.gz FSZFRJGASVRGGJ-BPLDGKMQSA-N 1 0 340.424 1.583 20 5 EDBDRO CC(C)NC(=O)NCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000577390357 448286454 /nfs/dbraw/zinc/28/64/54/448286454.db2.gz FHCBRDFPIWJZCI-GFCCVEGCSA-N 1 0 336.396 1.184 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591448628 448366987 /nfs/dbraw/zinc/36/69/87/448366987.db2.gz KOCUGQIKXAPIKN-IUODEOHRSA-N 1 0 348.403 1.616 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[C@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])c1 ZINC000591448952 448367434 /nfs/dbraw/zinc/36/74/34/448367434.db2.gz SCNHRPHKIYJHDN-IUODEOHRSA-N 1 0 348.403 1.616 20 5 EDBDRO CN1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000591352730 448336828 /nfs/dbraw/zinc/33/68/28/448336828.db2.gz AANHUZLJEMJGKM-MRXNPFEDSA-N 1 0 349.435 1.202 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c1[N+](=O)[O-] ZINC000582964053 448391178 /nfs/dbraw/zinc/39/11/78/448391178.db2.gz SOXXVUFYBZXVGC-CQSZACIVSA-N 1 0 335.408 1.487 20 5 EDBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533864289 448426617 /nfs/dbraw/zinc/42/66/17/448426617.db2.gz PHYJIEGIEFIJMI-ZDUSSCGKSA-N 1 0 330.388 1.899 20 5 EDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1C[NH2+]CCC1(F)F ZINC000591671810 448442380 /nfs/dbraw/zinc/44/23/80/448442380.db2.gz LILYTKNBGBKKMT-JTQLQIEISA-N 1 0 328.319 1.368 20 5 EDBDRO COc1ccccc1C(C)(C)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591728128 448474085 /nfs/dbraw/zinc/47/40/85/448474085.db2.gz DSRWRPKMFYFBDG-AWEZNQCLSA-N 1 0 348.403 1.728 20 5 EDBDRO Cc1ccc2c(c1C)OC[C@@H]2[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591733509 448475245 /nfs/dbraw/zinc/47/52/45/448475245.db2.gz ARYJAFUUTCLUQK-HIFRSBDPSA-N 1 0 332.360 1.492 20 5 EDBDRO Cc1csc(CCCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000573437474 448624826 /nfs/dbraw/zinc/62/48/26/448624826.db2.gz BUHPJMRSVDZNTL-ZDUSSCGKSA-N 1 0 339.421 1.530 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000518314191 448663641 /nfs/dbraw/zinc/66/36/41/448663641.db2.gz RWFMAZBCDNTITA-CYBMUJFWSA-N 1 0 348.403 1.757 20 5 EDBDRO CNc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1[N+](=O)[O-] ZINC000574011853 448767600 /nfs/dbraw/zinc/76/76/00/448767600.db2.gz HWOJTGCYRGCIFM-CYBMUJFWSA-N 1 0 336.392 1.213 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Cl)cc2)c1 ZINC000573913460 448744352 /nfs/dbraw/zinc/74/43/52/448744352.db2.gz GLKZNBBTCPPEHR-SOUVJXGZSA-N 1 0 336.779 1.951 20 5 EDBDRO O=C1COc2ccc([N+](=O)[O-])cc2N1Cc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592356985 448804149 /nfs/dbraw/zinc/80/41/49/448804149.db2.gz OTIREZWXWOEQKZ-JTQLQIEISA-N 1 0 345.315 1.328 20 5 EDBDRO Cc1cc(C(=O)NCc2nc([C@H]3CCC[NH2+]3)no2)ccc1[N+](=O)[O-] ZINC000592355968 448804420 /nfs/dbraw/zinc/80/44/20/448804420.db2.gz AWEPGYDPIFFRRP-LLVKDONJSA-N 1 0 331.332 1.641 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000592370594 448809139 /nfs/dbraw/zinc/80/91/39/448809139.db2.gz YLVLEAWRSHHJSK-JQWIXIFHSA-N 1 0 343.405 1.351 20 5 EDBDRO CC1(C)C[NH2+]CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000592372202 448810185 /nfs/dbraw/zinc/81/01/85/448810185.db2.gz NZSGKWRMQKBUIW-UHFFFAOYSA-N 1 0 327.406 1.151 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCC(C)([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000592380759 448813437 /nfs/dbraw/zinc/81/34/37/448813437.db2.gz YFKNUXCQSNSUSD-UHFFFAOYSA-N 1 0 329.378 1.105 20 5 EDBDRO C[NH+](C)C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)c2ccccc2O1 ZINC000586797819 448814067 /nfs/dbraw/zinc/81/40/67/448814067.db2.gz OZKGGTJFDHQMCT-JTQLQIEISA-N 1 0 331.332 1.287 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000592334880 448795402 /nfs/dbraw/zinc/79/54/02/448795402.db2.gz HJDGLNAMFWXTQD-RYUDHWBXSA-N 1 0 325.340 1.684 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000592335258 448796104 /nfs/dbraw/zinc/79/61/04/448796104.db2.gz QVNLYKPWFMNJHW-RYUDHWBXSA-N 1 0 325.340 1.304 20 5 EDBDRO C[NH+]1CCN(CCCn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)CC1 ZINC000592349552 448800495 /nfs/dbraw/zinc/80/04/95/448800495.db2.gz CGCHZIHNZMFMHO-UHFFFAOYSA-N 1 0 347.375 1.049 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)C1CCCCC1 ZINC000592429579 448832028 /nfs/dbraw/zinc/83/20/28/448832028.db2.gz OELHSTFIHMFTGP-HOCLYGCPSA-N 1 0 338.404 1.865 20 5 EDBDRO Cn1c2cc(NCC(C)(C)C[NH+](C)C)c([N+](=O)[O-])cc2n(C)c1=O ZINC000586944682 448832405 /nfs/dbraw/zinc/83/24/05/448832405.db2.gz KKCIAMQWLFZASY-UHFFFAOYSA-N 1 0 335.408 1.785 20 5 EDBDRO CN(C)C1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000519803387 448846083 /nfs/dbraw/zinc/84/60/83/448846083.db2.gz DQQITFCBRXXNLB-AWEZNQCLSA-N 1 0 325.413 1.006 20 5 EDBDRO CN(CCN1CC[NH2+]CC1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000592468194 448850741 /nfs/dbraw/zinc/85/07/41/448850741.db2.gz HLMUVERMAIXIHY-UHFFFAOYSA-N 1 0 338.433 1.051 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(C)([NH3+])CC1 ZINC000592484446 448855993 /nfs/dbraw/zinc/85/59/93/448855993.db2.gz CFXDAZJFJJVEBV-LLVKDONJSA-N 1 0 336.392 1.744 20 5 EDBDRO COc1cccc(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1[N+](=O)[O-] ZINC000574398798 448864597 /nfs/dbraw/zinc/86/45/97/448864597.db2.gz LWMMHVGKAHEUMF-GFCCVEGCSA-N 1 0 349.387 1.431 20 5 EDBDRO C[C@H](CCC[NH3+])NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000592554096 448896845 /nfs/dbraw/zinc/89/68/45/448896845.db2.gz CNACENPIMDJQQC-SECBINFHSA-N 1 0 340.405 1.029 20 5 EDBDRO COc1ccc(CC(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc1[N+](=O)[O-] ZINC000592571173 448905708 /nfs/dbraw/zinc/90/57/08/448905708.db2.gz ULDWQOGGQQURAA-OAHLLOKOSA-N 1 0 333.388 1.937 20 5 EDBDRO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000592538318 448887546 /nfs/dbraw/zinc/88/75/46/448887546.db2.gz LMKRKTPLQPAEBK-ZSHCYNCHSA-N 1 0 331.372 1.430 20 5 EDBDRO [NH3+]CC1(O)CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000569221289 448983279 /nfs/dbraw/zinc/98/32/79/448983279.db2.gz LPIOXUPFPNLESP-UHFFFAOYSA-N 1 0 348.403 1.121 20 5 EDBDRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000588870304 448943239 /nfs/dbraw/zinc/94/32/39/448943239.db2.gz XSDCDSBVIVKPMJ-GFCCVEGCSA-N 1 0 344.371 1.330 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000592882334 449035308 /nfs/dbraw/zinc/03/53/08/449035308.db2.gz QYMQWDFCYZHGAE-KGLIPLIRSA-N 1 0 343.387 1.404 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000590011586 449096554 /nfs/dbraw/zinc/09/65/54/449096554.db2.gz JZTJXDHDWCLDCE-WFASDCNBSA-N 1 0 348.403 1.568 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590012331 449096732 /nfs/dbraw/zinc/09/67/32/449096732.db2.gz RDVYURBWYKIDIO-IINYFYTJSA-N 1 0 338.795 1.823 20 5 EDBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593596039 449097030 /nfs/dbraw/zinc/09/70/30/449097030.db2.gz MDXHHWUYDPIUCY-LLVKDONJSA-N 1 0 330.410 1.389 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000590011735 449097433 /nfs/dbraw/zinc/09/74/33/449097433.db2.gz IJJOOMNJGQMVFL-XJKSGUPXSA-N 1 0 332.404 1.868 20 5 EDBDRO COC[C@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000593029812 449108047 /nfs/dbraw/zinc/10/80/47/449108047.db2.gz XRICCXLONCLNSY-DZGCQCFKSA-N 1 0 338.360 1.665 20 5 EDBDRO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599938492 449116953 /nfs/dbraw/zinc/11/69/53/449116953.db2.gz CAIHGXSLXYTWNH-WCXIOVBPSA-N 1 0 345.399 1.366 20 5 EDBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599939716 449118055 /nfs/dbraw/zinc/11/80/55/449118055.db2.gz YIFUAYLVDVPABM-NEPJUHHUSA-N 1 0 344.371 1.357 20 5 EDBDRO O=C(C[NH2+][C@@H]1C[C@@H](O)C12CCC2)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595777464 449159536 /nfs/dbraw/zinc/15/95/36/449159536.db2.gz HCUQSVWSHQMNLR-ZIAGYGMSSA-N 1 0 349.343 1.155 20 5 EDBDRO CC[NH+]1CCC(Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000603929516 449161697 /nfs/dbraw/zinc/16/16/97/449161697.db2.gz PEDWRIQLXPOMRD-UHFFFAOYSA-N 1 0 328.394 1.138 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)[C@@H]2C1 ZINC000590442960 449164057 /nfs/dbraw/zinc/16/40/57/449164057.db2.gz CHIMCFXHTSTXJA-BLLLJJGKSA-N 1 0 341.371 1.557 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000590447620 449168564 /nfs/dbraw/zinc/16/85/64/449168564.db2.gz ZLQWVRMNQPXSLQ-BONVTDFDSA-N 1 0 342.355 1.625 20 5 EDBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000590369719 449138772 /nfs/dbraw/zinc/13/87/72/449138772.db2.gz LEYBVSNQIXXAEE-LLVKDONJSA-N 1 0 341.433 1.748 20 5 EDBDRO Cc1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000590399904 449146925 /nfs/dbraw/zinc/14/69/25/449146925.db2.gz QBWXHJYWRQMMNP-HOCLYGCPSA-N 1 0 333.388 1.838 20 5 EDBDRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000590399213 449147152 /nfs/dbraw/zinc/14/71/52/449147152.db2.gz JBWJYVRTEVVKDJ-IRXDYDNUSA-N 1 0 347.415 1.849 20 5 EDBDRO CN1CC[NH+](CC2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000590399911 449147730 /nfs/dbraw/zinc/14/77/30/449147730.db2.gz MPXZDDMZIZWVOD-UHFFFAOYSA-N 1 0 336.367 1.053 20 5 EDBDRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000590402389 449148851 /nfs/dbraw/zinc/14/88/51/449148851.db2.gz SSYROQZMCXOKTP-RYUDHWBXSA-N 1 0 325.390 1.592 20 5 EDBDRO CCN1C[C@H](C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000593689138 449148914 /nfs/dbraw/zinc/14/89/14/449148914.db2.gz JJWHHOQKDWUZEF-OLZOCXBDSA-N 1 0 348.403 1.770 20 5 EDBDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000601879017 449202424 /nfs/dbraw/zinc/20/24/24/449202424.db2.gz FKFYLELMOOFMBV-HNNXBMFYSA-N 1 0 343.387 1.490 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000590589902 449205025 /nfs/dbraw/zinc/20/50/25/449205025.db2.gz SKPYWRJGTXVDBF-VXGBXAGGSA-N 1 0 327.406 1.616 20 5 EDBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000604199737 449190564 /nfs/dbraw/zinc/19/05/64/449190564.db2.gz UEGUJWJOJYUFNS-GFCCVEGCSA-N 1 0 329.360 1.605 20 5 EDBDRO Cc1c(NC(=O)C(=O)NCCC2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000593777670 449192438 /nfs/dbraw/zinc/19/24/38/449192438.db2.gz NXZORQSUMCMETI-UHFFFAOYSA-N 1 0 334.376 1.348 20 5 EDBDRO CC(C)OC(=O)C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000595922236 449255564 /nfs/dbraw/zinc/25/55/64/449255564.db2.gz BARRROJLWSXOQD-OBJOEFQTSA-N 1 0 349.387 1.831 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595868579 449220587 /nfs/dbraw/zinc/22/05/87/449220587.db2.gz QLHWCJJLSDNGDB-INIZCTEOSA-N 1 0 335.404 1.634 20 5 EDBDRO Cc1n[nH]c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595967952 449288748 /nfs/dbraw/zinc/28/87/48/449288748.db2.gz ZDGLTSJCVJTKND-CHWSQXEVSA-N 1 0 329.360 1.502 20 5 EDBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000611513814 449317165 /nfs/dbraw/zinc/31/71/65/449317165.db2.gz FPSPGFXYZVIVMT-LBPRGKRZSA-N 1 0 333.344 1.538 20 5 EDBDRO O=C(C[N@H+]1CCCCC[C@H]1CO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000594017370 449324813 /nfs/dbraw/zinc/32/48/13/449324813.db2.gz XDZARRGHGDSPIQ-HNNXBMFYSA-N 1 0 333.388 1.721 20 5 EDBDRO O=C([C@@H]1CCC[NH2+]CC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593905247 449275676 /nfs/dbraw/zinc/27/56/76/449275676.db2.gz BMDKZTWWRAVVBT-CHWSQXEVSA-N 1 0 333.392 1.392 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593910665 449280374 /nfs/dbraw/zinc/28/03/74/449280374.db2.gz ASLHSUZAJUGHBC-HEHGZKQESA-N 1 0 348.403 1.657 20 5 EDBDRO Nc1c(C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cccc1[N+](=O)[O-] ZINC000593911902 449280772 /nfs/dbraw/zinc/28/07/72/449280772.db2.gz IRYNFJNEHMPMPL-ZOWXZIJZSA-N 1 0 348.403 1.536 20 5 EDBDRO CC(C)(C[NH+]1CCOCC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000602105830 449349909 /nfs/dbraw/zinc/34/99/09/449349909.db2.gz LQSFTTYXNABRJU-UHFFFAOYSA-N 1 0 335.404 1.612 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000598342300 449357188 /nfs/dbraw/zinc/35/71/88/449357188.db2.gz LZGKZJLNYGQWPN-GFCCVEGCSA-N 1 0 337.376 1.583 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000590874694 449330571 /nfs/dbraw/zinc/33/05/71/449330571.db2.gz CDPRXQISNGDDSA-ZDUSSCGKSA-N 1 0 343.387 1.912 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000598453139 449402984 /nfs/dbraw/zinc/40/29/84/449402984.db2.gz PGNAXXNOQIKCBH-OAHLLOKOSA-N 1 0 333.388 1.574 20 5 EDBDRO C[NH+](C)CCN(Cc1ccccn1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596166716 449392522 /nfs/dbraw/zinc/39/25/22/449392522.db2.gz AVVQSHFTAMPEIV-UHFFFAOYSA-N 1 0 343.387 1.657 20 5 EDBDRO CC(C)C[N@H+](C)CCCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596289538 449458068 /nfs/dbraw/zinc/45/80/68/449458068.db2.gz RDIKBHFGIBJFBB-UHFFFAOYSA-N 1 0 344.437 1.632 20 5 EDBDRO CCC(C)(C)[NH+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC000594389828 449487019 /nfs/dbraw/zinc/48/70/19/449487019.db2.gz OCZPGLGBTRWGIR-UHFFFAOYSA-N 1 0 336.392 1.089 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC[N@H+]2CC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598603045 449487546 /nfs/dbraw/zinc/48/75/46/449487546.db2.gz FNTIIDAARCGSKQ-LLVKDONJSA-N 1 0 341.433 1.832 20 5 EDBDRO C[NH+](C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000596244067 449435677 /nfs/dbraw/zinc/43/56/77/449435677.db2.gz OJZXPYPVENGFFV-ZDUSSCGKSA-N 1 0 334.351 2.130 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598665151 449526955 /nfs/dbraw/zinc/52/69/55/449526955.db2.gz SQTMRILPFLOIJO-RYUDHWBXSA-N 1 0 349.391 1.302 20 5 EDBDRO CN(C(=O)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000600745127 449529790 /nfs/dbraw/zinc/52/97/90/449529790.db2.gz DESVKEAABRKXBA-CALCHBBNSA-N 1 0 332.404 1.489 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598680790 449539421 /nfs/dbraw/zinc/53/94/21/449539421.db2.gz DFHUKKZUVSRZFU-SJCJKPOMSA-N 1 0 348.403 1.745 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCN1C[C@@H](C)OC[C@@H]1C ZINC000596426504 449497591 /nfs/dbraw/zinc/49/75/91/449497591.db2.gz BBIHYPYZUQHAGY-NWDGAFQWSA-N 1 0 336.392 1.476 20 5 EDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000600698740 449499451 /nfs/dbraw/zinc/49/94/51/449499451.db2.gz ZTIAXSLBGFWTJO-LBPRGKRZSA-N 1 0 344.371 1.732 20 5 EDBDRO CO[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@](C)(C[NH3+])C1 ZINC000600881551 449585063 /nfs/dbraw/zinc/58/50/63/449585063.db2.gz YZJPUYPHLWIPKZ-YGRLFVJLSA-N 1 0 327.768 1.827 20 5 EDBDRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1c[nH]nc1[N+](=O)[O-] ZINC000598736609 449571383 /nfs/dbraw/zinc/57/13/83/449571383.db2.gz DADUOWPPRRQAPM-GFCCVEGCSA-N 1 0 331.332 1.137 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000598716533 449560879 /nfs/dbraw/zinc/56/08/79/449560879.db2.gz LWRAXJVEKNFFTP-CHWSQXEVSA-N 1 0 341.433 1.878 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598722105 449563103 /nfs/dbraw/zinc/56/31/03/449563103.db2.gz ZCMZJHHZMZPQTJ-BXUZGUMPSA-N 1 0 325.390 1.405 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000598722900 449563869 /nfs/dbraw/zinc/56/38/69/449563869.db2.gz DSKXTPDZUKDICJ-WFASDCNBSA-N 1 0 339.417 1.714 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600966807 449619968 /nfs/dbraw/zinc/61/99/68/449619968.db2.gz UAUKBUHFPRIVJS-SCZZXKLOSA-N 1 0 334.298 1.533 20 5 EDBDRO COCC[NH+]1CCC(NC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601016086 449655323 /nfs/dbraw/zinc/65/53/23/449655323.db2.gz TWOGUNNDAPCTBS-UHFFFAOYSA-N 1 0 325.340 1.575 20 5 EDBDRO CCOc1ccc(C(=O)N(C)CCOCC[NH2+]C)cc1[N+](=O)[O-] ZINC000602549066 449667987 /nfs/dbraw/zinc/66/79/87/449667987.db2.gz QUGICROZKOIVPX-UHFFFAOYSA-N 1 0 325.365 1.302 20 5 EDBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594754536 449669150 /nfs/dbraw/zinc/66/91/50/449669150.db2.gz LWXMIRASELAORI-RYUDHWBXSA-N 1 0 342.421 1.531 20 5 EDBDRO CCCNC(=O)CN1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602513030 449642687 /nfs/dbraw/zinc/64/26/87/449642687.db2.gz ZTDLEVQVQANNFP-UHFFFAOYSA-N 1 0 348.447 1.718 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCO[C@H]1CC1(F)F ZINC000594716851 449645310 /nfs/dbraw/zinc/64/53/10/449645310.db2.gz XXLXQBBHYZNUBY-GWCFXTLKSA-N 1 0 332.303 1.348 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000598916619 449645616 /nfs/dbraw/zinc/64/56/16/449645616.db2.gz GOQDHGGVQJZGIZ-SWLSCSKDSA-N 1 0 346.387 1.524 20 5 EDBDRO Cn1ccnc1[C@@H](NCC[N@@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599092498 449727807 /nfs/dbraw/zinc/72/78/07/449727807.db2.gz IZYBRNBNVPJTDE-HOTGVXAUSA-N 1 0 345.403 1.074 20 5 EDBDRO C[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000601165451 449728010 /nfs/dbraw/zinc/72/80/10/449728010.db2.gz OZNSMDMOXLDNAQ-GFCCVEGCSA-N 1 0 338.383 1.347 20 5 EDBDRO CCC(CC)[NH2+]CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000599097695 449729301 /nfs/dbraw/zinc/72/93/01/449729301.db2.gz LMMVQVYUJCAMLH-UHFFFAOYSA-N 1 0 338.412 1.412 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000599100036 449732247 /nfs/dbraw/zinc/73/22/47/449732247.db2.gz DEBUYAFYORFMQX-OAHLLOKOSA-N 1 0 341.433 1.776 20 5 EDBDRO C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[NH2+]1 ZINC000599101798 449733274 /nfs/dbraw/zinc/73/32/74/449733274.db2.gz BXISBFGRHFLUSB-PSASIEDQSA-N 1 0 333.797 1.667 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)c1 ZINC000599102491 449734342 /nfs/dbraw/zinc/73/43/42/449734342.db2.gz OJOUMLIGCWROSC-AWEZNQCLSA-N 1 0 339.417 1.775 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])[NH+](C)C ZINC000594779682 449691752 /nfs/dbraw/zinc/69/17/52/449691752.db2.gz YPAFEDOOWLEVRG-JTQLQIEISA-N 1 0 338.389 1.371 20 5 EDBDRO COC(=O)C1CC[NH+](CCCNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601104681 449692449 /nfs/dbraw/zinc/69/24/49/449692449.db2.gz CQOYTVPJPVKLOK-UHFFFAOYSA-N 1 0 340.355 1.816 20 5 EDBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602592505 449692762 /nfs/dbraw/zinc/69/27/62/449692762.db2.gz RMTASTGNMQLIPJ-TXEJJXNPSA-N 1 0 327.344 1.357 20 5 EDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000602594380 449693942 /nfs/dbraw/zinc/69/39/42/449693942.db2.gz ATYIZKURYWQPDN-OCCSQVGLSA-N 1 0 332.404 1.759 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599108049 449740292 /nfs/dbraw/zinc/74/02/92/449740292.db2.gz QIHATQNIPRTADE-CYBMUJFWSA-N 1 0 339.417 1.775 20 5 EDBDRO C[NH+](C)CCn1cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000601203122 449748542 /nfs/dbraw/zinc/74/85/42/449748542.db2.gz CFQIICWUBNFVGO-UHFFFAOYSA-N 1 0 329.360 1.556 20 5 EDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)C1 ZINC000599126224 449750256 /nfs/dbraw/zinc/75/02/56/449750256.db2.gz YRTKDAFAWXAGBD-LLVKDONJSA-N 1 0 347.350 1.601 20 5 EDBDRO CO[C@@](C)(CO)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602704701 449760200 /nfs/dbraw/zinc/76/02/00/449760200.db2.gz JMLNWIJSZMKZLA-SNVBAGLBSA-N 1 0 339.211 1.906 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C(=O)N(C)C(C)C)CC1 ZINC000602762106 449788873 /nfs/dbraw/zinc/78/88/73/449788873.db2.gz HMFSWZNPBJIFLI-UHFFFAOYSA-N 1 0 337.424 1.679 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000602781510 449805202 /nfs/dbraw/zinc/80/52/02/449805202.db2.gz ACFREMABNMAZLJ-UHFFFAOYSA-N 1 0 335.408 1.577 20 5 EDBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@]2(OCCO)CCOC2)c(Cl)c1 ZINC000594975405 449826893 /nfs/dbraw/zinc/82/68/93/449826893.db2.gz SQOGYVIYAFCFML-AWEZNQCLSA-N 1 0 330.768 1.506 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCCC23CC3)cc1 ZINC000595014161 449841040 /nfs/dbraw/zinc/84/10/40/449841040.db2.gz LPNVOZVJGRMRBJ-AWEZNQCLSA-N 1 0 339.417 1.795 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1[N+](=O)[O-] ZINC000601347649 449859288 /nfs/dbraw/zinc/85/92/88/449859288.db2.gz KZPXUSTUBJFPJT-TXEJJXNPSA-N 1 0 325.390 1.337 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601351383 449863807 /nfs/dbraw/zinc/86/38/07/449863807.db2.gz GDKIODQUCXYVEE-JSGCOSHPSA-N 1 0 339.417 1.666 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000602892014 449899210 /nfs/dbraw/zinc/89/92/10/449899210.db2.gz LEGBSVNFUXFMKH-CYBMUJFWSA-N 1 0 332.364 1.075 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000595107981 449872914 /nfs/dbraw/zinc/87/29/14/449872914.db2.gz NUOZXABBUCMLQK-JOYOIKCWSA-N 1 0 327.406 1.488 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H](O)CC3(O)CCC3)C2)nc1 ZINC000599326228 449894303 /nfs/dbraw/zinc/89/43/03/449894303.db2.gz TYJBBHXONWMJGI-TZMCWYRMSA-N 1 0 336.392 1.142 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])s1 ZINC000601342110 449851503 /nfs/dbraw/zinc/85/15/03/449851503.db2.gz QISQIHQPPROIHS-VHSXEESVSA-N 1 0 331.419 1.337 20 5 EDBDRO COC[C@H](CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)OC ZINC000595060646 449852306 /nfs/dbraw/zinc/85/23/06/449852306.db2.gz NGGYGKQZXUJFTI-MELADBBJSA-N 1 0 326.397 1.916 20 5 EDBDRO C[NH+](C)CCCS(=O)(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000601391348 449906762 /nfs/dbraw/zinc/90/67/62/449906762.db2.gz PNHDNPVJBMUTNM-UHFFFAOYSA-N 1 0 349.840 1.662 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC2([NH+](C)C)CCC2)c([N+](=O)[O-])s1 ZINC000601399015 449914897 /nfs/dbraw/zinc/91/48/97/449914897.db2.gz KEKCLYQEVATUHV-UHFFFAOYSA-N 1 0 333.435 1.727 20 5 EDBDRO COc1ccc(CC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000609016222 449956846 /nfs/dbraw/zinc/95/68/46/449956846.db2.gz ISNYHSLDAUHZHP-ZIAGYGMSSA-N 1 0 333.388 1.889 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000595223813 449957234 /nfs/dbraw/zinc/95/72/34/449957234.db2.gz BDVZQCMGAQBBGQ-KBPBESRZSA-N 1 0 335.408 1.480 20 5 EDBDRO Cc1sc(S(=O)(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000599416208 449963116 /nfs/dbraw/zinc/96/31/16/449963116.db2.gz UZLMBXSLTNIFAL-LLVKDONJSA-N 1 0 347.462 1.975 20 5 EDBDRO COc1ccc(OCC[N@H+]2C[C@@H](OC)C[C@]2(C)CO)c([N+](=O)[O-])c1 ZINC000602964007 449966092 /nfs/dbraw/zinc/96/60/92/449966092.db2.gz LTIZFPBXMGJDDU-XJKSGUPXSA-N 1 0 340.376 1.454 20 5 EDBDRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595240062 449969670 /nfs/dbraw/zinc/96/96/70/449969670.db2.gz MEJAEXZHGKRDNT-UHFFFAOYSA-N 1 0 328.756 1.382 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000609269501 449995382 /nfs/dbraw/zinc/99/53/82/449995382.db2.gz RVZXEJHRPWGNEO-GFCCVEGCSA-N 1 0 337.376 1.444 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000609269071 449995810 /nfs/dbraw/zinc/99/58/10/449995810.db2.gz KTZSEJCHLQXXRH-CYBMUJFWSA-N 1 0 337.376 1.201 20 5 EDBDRO C[C@@H](C(=O)N[C@@H](CO)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000603051364 450035959 /nfs/dbraw/zinc/03/59/59/450035959.db2.gz BHZJPYRVSLCDNJ-VXGBXAGGSA-N 1 0 339.367 1.410 20 5 EDBDRO COc1ccc(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000609672751 450081954 /nfs/dbraw/zinc/08/19/54/450081954.db2.gz RAVCIOYPSKUOGC-MRXNPFEDSA-N 1 0 348.447 1.815 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCOCCC[NH3+] ZINC000599603651 450097725 /nfs/dbraw/zinc/09/77/25/450097725.db2.gz GYRWRRHVPFYSTO-UHFFFAOYSA-N 1 0 326.353 1.480 20 5 EDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000609851230 450106600 /nfs/dbraw/zinc/10/66/00/450106600.db2.gz XUCRFKYESBFTSE-CQSZACIVSA-N 1 0 348.403 1.315 20 5 EDBDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000599695983 450160506 /nfs/dbraw/zinc/16/05/06/450160506.db2.gz ZORKTAABTMYFQL-STQMWFEESA-N 1 0 341.433 1.917 20 5 EDBDRO COc1cc(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)c([N+](=O)[O-])cc1F ZINC000603237662 450166202 /nfs/dbraw/zinc/16/62/02/450166202.db2.gz LAZNIDFDAZXXSK-SNVBAGLBSA-N 1 0 335.339 1.849 20 5 EDBDRO C[NH+](C)C[C@H](CO)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597652451 450171719 /nfs/dbraw/zinc/17/17/19/450171719.db2.gz BXHGEKWUAULBRT-SNVBAGLBSA-N 1 0 346.181 1.010 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000610278427 450179369 /nfs/dbraw/zinc/17/93/69/450179369.db2.gz FHYVMXGZCUAZKQ-CQSZACIVSA-N 1 0 334.420 1.820 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000597701203 450206713 /nfs/dbraw/zinc/20/67/13/450206713.db2.gz QVLZODJTKLRVMX-WCQYABFASA-N 1 0 337.376 1.533 20 5 EDBDRO C[NH+](C)CC1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000597708839 450212538 /nfs/dbraw/zinc/21/25/38/450212538.db2.gz PNUFYANAJNKYPD-UHFFFAOYSA-N 1 0 329.360 1.414 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000610336429 450194856 /nfs/dbraw/zinc/19/48/56/450194856.db2.gz AAOHJRGUOZKLIG-DLBZAZTESA-N 1 0 346.387 1.616 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C(C)(C)CO)CC1 ZINC000610481260 450236719 /nfs/dbraw/zinc/23/67/19/450236719.db2.gz VQKDBQDMDBIMLQ-UHFFFAOYSA-N 1 0 337.420 1.882 20 5 EDBDRO O=C(CC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1)NC1CCCC1 ZINC000610485011 450238600 /nfs/dbraw/zinc/23/86/00/450238600.db2.gz LKUNTUBMSFFINV-UHFFFAOYSA-N 1 0 349.435 1.952 20 5 EDBDRO CCn1cnnc1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000618571906 450249164 /nfs/dbraw/zinc/24/91/64/450249164.db2.gz OGFPWFFKYMMUKW-STQMWFEESA-N 1 0 333.396 1.719 20 5 EDBDRO C[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1[NH+]1CCOCC1 ZINC000618585102 450252797 /nfs/dbraw/zinc/25/27/97/450252797.db2.gz WYSOHFZHLCWQTL-NHYWBVRUSA-N 1 0 331.376 1.628 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000619475637 450484097 /nfs/dbraw/zinc/48/40/97/450484097.db2.gz WMBBZERIBKRGEP-AWEZNQCLSA-N 1 0 337.424 1.811 20 5 EDBDRO C[C@H]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000174314158 533765482 /nfs/dbraw/zinc/76/54/82/533765482.db2.gz XWRRXUANDUJIFF-RYUDHWBXSA-N 1 0 327.406 1.651 20 5 EDBDRO CC(C)(C)[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(N)=O ZINC000129057419 526637122 /nfs/dbraw/zinc/63/71/22/526637122.db2.gz WQSKRNKVIWGLTP-ZDUSSCGKSA-N 1 0 340.355 1.552 20 5 EDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183573554 528034830 /nfs/dbraw/zinc/03/48/30/528034830.db2.gz QMIRXRLZXXZIEB-LLVKDONJSA-N 1 0 325.369 1.468 20 5 EDBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000174992067 529107822 /nfs/dbraw/zinc/10/78/22/529107822.db2.gz XKTXNOXDNIGVFO-UONOGXRCSA-N 1 0 348.403 1.230 20 5 EDBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000331984931 535662401 /nfs/dbraw/zinc/66/24/01/535662401.db2.gz MWYPOBTTWAOWMY-GFCCVEGCSA-N 1 0 349.387 1.922 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248467517 535679801 /nfs/dbraw/zinc/67/98/01/535679801.db2.gz SWNQAVZNABAVLA-LSDHHAIUSA-N 1 0 337.420 1.751 20 5 EDBDRO C[NH2+][C@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000261790624 536412326 /nfs/dbraw/zinc/41/23/26/536412326.db2.gz QHZIHIIHFGQZJV-LBPRGKRZSA-N 1 0 336.392 1.616 20 5 EDBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000248448285 536419458 /nfs/dbraw/zinc/41/94/58/536419458.db2.gz HPYRAWOGRYGHME-DOMZBBRYSA-N 1 0 326.393 1.673 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@](C)(CO)C(C)C)cc1[N+](=O)[O-] ZINC000353067495 536476778 /nfs/dbraw/zinc/47/67/78/536476778.db2.gz BTVAODDKTJWCEX-INIZCTEOSA-N 1 0 340.376 1.643 20 5 EDBDRO COc1cc(CN(C)C[C@H]2C[C@@H](OC)C[N@H+]2C)c([N+](=O)[O-])cc1F ZINC000345144550 536747100 /nfs/dbraw/zinc/74/71/00/536747100.db2.gz FXBGXXIABVNZMS-CHWSQXEVSA-N 1 0 341.383 1.893 20 5 EDBDRO COc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000237319490 536868207 /nfs/dbraw/zinc/86/82/07/536868207.db2.gz UPPZBBGTAYJNKM-GWCFXTLKSA-N 1 0 343.405 1.351 20 5 EDBDRO CN(CC1CC[NH+](C)CC1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000728905845 578554059 /nfs/dbraw/zinc/55/40/59/578554059.db2.gz YLPFNRBTGGXNMD-UHFFFAOYSA-N 1 0 346.229 1.785 20 5 EDBDRO CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732034412 578687802 /nfs/dbraw/zinc/68/78/02/578687802.db2.gz FHZOEDQCOLDNJA-HNNXBMFYSA-N 1 0 343.387 1.640 20 5 EDBDRO CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000732159518 578695014 /nfs/dbraw/zinc/69/50/14/578695014.db2.gz HXCPAXHSHQNPIP-HNNXBMFYSA-N 1 0 337.351 1.665 20 5 EDBDRO C[N@@H+]1CCCN(CCCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000733976931 578790549 /nfs/dbraw/zinc/79/05/49/578790549.db2.gz FQWRGWXIRBNPQW-TWGQIWQCSA-N 1 0 346.431 1.752 20 5 EDBDRO CC(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000735892367 578936713 /nfs/dbraw/zinc/93/67/13/578936713.db2.gz GRSBMTINPMJXPU-UHFFFAOYSA-N 1 0 331.380 1.742 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736859883 579027909 /nfs/dbraw/zinc/02/79/09/579027909.db2.gz JJZBTZLSHFYRCD-CHWSQXEVSA-N 1 0 343.391 1.838 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000746883050 579614414 /nfs/dbraw/zinc/61/44/14/579614414.db2.gz PMNPNEVKMLIINW-GFCCVEGCSA-N 1 0 329.360 1.297 20 5 EDBDRO CNC(=O)c1ccc(C[N@H+](CCn2ccc([N+](=O)[O-])n2)C2CC2)cc1 ZINC000747958791 579664610 /nfs/dbraw/zinc/66/46/10/579664610.db2.gz DTEILXLORNBCOA-UHFFFAOYSA-N 1 0 343.387 1.816 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000749446534 579726977 /nfs/dbraw/zinc/72/69/77/579726977.db2.gz NZCVIQOMHCFNAV-UONOGXRCSA-N 1 0 345.403 1.934 20 5 EDBDRO C/C(=C\C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000751746313 579820103 /nfs/dbraw/zinc/82/01/03/579820103.db2.gz RSTYCIAUIKYZDS-DKTLHIEFSA-N 1 0 345.399 1.978 20 5 EDBDRO COC(=O)CC[N@@H+]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000775983612 580405696 /nfs/dbraw/zinc/40/56/96/580405696.db2.gz CBXONMCESQHTNO-CQSZACIVSA-N 1 0 335.404 1.972 20 5 EDBDRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000782513146 580576630 /nfs/dbraw/zinc/57/66/30/580576630.db2.gz WXABVDXXHAYUFV-UHFFFAOYSA-N 1 0 333.435 1.761 20 5 EDBDRO C[C@@H]1[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[N@@H+]1C ZINC000788261209 580715265 /nfs/dbraw/zinc/71/52/65/580715265.db2.gz KGMOSDXECCMQCD-CZUORRHYSA-N 1 0 332.404 1.584 20 5 EDBDRO CS(=O)(=O)NC1CC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000800890642 581060976 /nfs/dbraw/zinc/06/09/76/581060976.db2.gz MLHWBVPXXRFJCX-UHFFFAOYSA-N 1 0 333.797 1.418 20 5 EDBDRO C[C@@H]1CN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000893077629 590650490 /nfs/dbraw/zinc/65/04/90/590650490.db2.gz BIFWYYAESFFHHG-NEPJUHHUSA-N 1 0 330.388 1.976 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000893118918 590670305 /nfs/dbraw/zinc/67/03/05/590670305.db2.gz NHWCSGFQODMHLT-AWEZNQCLSA-N 1 0 331.376 1.507 20 5 EDBDRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893227340 590721229 /nfs/dbraw/zinc/72/12/29/590721229.db2.gz XCZOFEKTTGREHS-GFCCVEGCSA-N 1 0 347.824 1.762 20 5 EDBDRO C[C@@H](CNc1c2cc(F)ccc2ncc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000892282505 590911633 /nfs/dbraw/zinc/91/16/33/590911633.db2.gz UFWNUEWDOILOJD-LBPRGKRZSA-N 1 0 347.394 1.752 20 5 EDBDRO Cn1cnc(CCNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])c1 ZINC000894151985 591209306 /nfs/dbraw/zinc/20/93/06/591209306.db2.gz XPEUAMKAIOIJJA-UHFFFAOYSA-N 1 0 327.344 1.835 20 5 EDBDRO C[C@@H]1[C@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000895740923 591262963 /nfs/dbraw/zinc/26/29/63/591262963.db2.gz USLOCWMESZZQJQ-ZYHUDNBSSA-N 1 0 342.421 1.350 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000894429518 591310354 /nfs/dbraw/zinc/31/03/54/591310354.db2.gz IEXWXLZIECKIEJ-NWDGAFQWSA-N 1 0 332.335 1.537 20 5 EDBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000894431251 591310782 /nfs/dbraw/zinc/31/07/82/591310782.db2.gz PHANYKUQLSMZGW-YLFCFFPRSA-N 1 0 329.400 1.632 20 5 EDBDRO COC(=O)c1cnc(N2CC[N@H+](C)[C@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000895102495 591587513 /nfs/dbraw/zinc/58/75/13/591587513.db2.gz WRNLODDBPQYOLO-ZDUSSCGKSA-N 1 0 336.392 1.943 20 5 EDBDRO Cc1ccc(C[NH2+]CCS(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000897832171 591688621 /nfs/dbraw/zinc/68/86/21/591688621.db2.gz HRFBPPKICSCYGS-UHFFFAOYSA-N 1 0 327.406 1.418 20 5 EDBDRO CC(C)[NH+]1CCN(CCC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000900331932 591991742 /nfs/dbraw/zinc/99/17/42/591991742.db2.gz QMZLLJPCCFYYTJ-UHFFFAOYSA-N 1 0 348.447 1.670 20 5 EDBDRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000900789349 592124274 /nfs/dbraw/zinc/12/42/74/592124274.db2.gz FXVTZPGYTQKRBU-RDJZCZTQSA-N 1 0 335.404 1.489 20 5 EDBDRO C[N@@H+]1CCC[C@](O)(CC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000900789740 592124424 /nfs/dbraw/zinc/12/44/24/592124424.db2.gz KLHWERIQWSCHPA-SFHVURJKSA-N 1 0 349.431 1.881 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH2+]C[C@H]1CCOC ZINC000904486817 592271756 /nfs/dbraw/zinc/27/17/56/592271756.db2.gz XTYZCBZWSBZNRX-CQSZACIVSA-N 1 0 336.392 1.999 20 5 EDBDRO Nc1ncc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000904931431 592350584 /nfs/dbraw/zinc/35/05/84/592350584.db2.gz KJDWMNGWDUCJOO-GZMMTYOYSA-N 1 0 332.320 1.158 20 5 EDBDRO CO[C@H]1C[C@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000905424114 592531441 /nfs/dbraw/zinc/53/14/41/592531441.db2.gz XXSMBYGPFPQNAD-AULYBMBSSA-N 1 0 328.390 1.383 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCN2C2CCOCC2)cc1 ZINC000905618826 592595303 /nfs/dbraw/zinc/59/53/03/592595303.db2.gz JMTQFNRBPRLJFS-SJORKVTESA-N 1 0 335.404 1.471 20 5 EDBDRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906581339 592857721 /nfs/dbraw/zinc/85/77/21/592857721.db2.gz URCQAXQIWAPTGI-LBPRGKRZSA-N 1 0 349.387 1.780 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000911884765 593030599 /nfs/dbraw/zinc/03/05/99/593030599.db2.gz RVTXEPLDZGQPKD-IINYFYTJSA-N 1 0 341.795 1.755 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911941303 593040375 /nfs/dbraw/zinc/04/03/75/593040375.db2.gz LYEMTFKTAZYWGY-BUHFOSPRSA-N 1 0 347.415 1.913 20 5 EDBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1 ZINC000912274643 593084573 /nfs/dbraw/zinc/08/45/73/593084573.db2.gz YYEOPFXFXJJBLA-BMFZPTHFSA-N 1 0 333.388 1.758 20 5 EDBDRO C[NH+](C)CCCOC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000912592545 593106917 /nfs/dbraw/zinc/10/69/17/593106917.db2.gz OQPOHJBNPVOLEV-UHFFFAOYSA-N 1 0 341.389 1.281 20 5 EDBDRO CS[C@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000867020294 593182496 /nfs/dbraw/zinc/18/24/96/593182496.db2.gz GXNGCKDQOWXMSP-STQMWFEESA-N 1 0 341.408 1.780 20 5 EDBDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000103162164 593207510 /nfs/dbraw/zinc/20/75/10/593207510.db2.gz RKSMHKZTZUKUCM-UHFFFAOYSA-N 1 0 347.824 1.965 20 5 EDBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000808160451 593230934 /nfs/dbraw/zinc/23/09/34/593230934.db2.gz MFBQULVWHWCUQB-NEBFAKBJSA-N 1 0 331.372 1.276 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(Cn3cc(Br)c([N+](=O)[O-])n3)C[C@@H]21 ZINC000840133933 593250769 /nfs/dbraw/zinc/25/07/69/593250769.db2.gz VMNMIVLVMAEAPP-SCZZXKLOSA-N 1 0 330.186 1.147 20 5 EDBDRO COC(=O)[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000839630781 593355648 /nfs/dbraw/zinc/35/56/48/593355648.db2.gz NZDXBPLEJSUJQD-LBPRGKRZSA-N 1 0 341.795 1.785 20 5 EDBDRO C[C@H](C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000761665940 593420251 /nfs/dbraw/zinc/42/02/51/593420251.db2.gz VYSGBYMLYPTPIO-MAZHCROVSA-N 1 0 333.388 1.678 20 5 EDBDRO C[C@@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[N@@H+]1C1CC1 ZINC000811811693 593483358 /nfs/dbraw/zinc/48/33/58/593483358.db2.gz DEJMIVYBHGSPCO-NXEZZACHSA-N 1 0 332.360 1.963 20 5 EDBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000816562006 593531562 /nfs/dbraw/zinc/53/15/62/593531562.db2.gz VLKJQKQFCYWXFZ-CFVMTHIKSA-N 1 0 342.417 1.574 20 5 EDBDRO CN(C[C@H]1CCC[N@@H+]1C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000817373355 593597507 /nfs/dbraw/zinc/59/75/07/593597507.db2.gz NGVQBKHVKCPNBU-OAHLLOKOSA-N 1 0 330.392 1.837 20 5 EDBDRO C[C@@H]1C[C@@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C[NH3+] ZINC000818023591 593658668 /nfs/dbraw/zinc/65/86/68/593658668.db2.gz IYILNHSMJCXIOH-IJLUTSLNSA-N 1 0 339.367 1.945 20 5 EDBDRO Cc1ncc2c(n1)CC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000818947293 593729597 /nfs/dbraw/zinc/72/95/97/593729597.db2.gz BDWWOVSRQITXSS-YOEHRIQHSA-N 1 0 328.372 1.874 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCOc1cccnc1 ZINC000819067973 593737180 /nfs/dbraw/zinc/73/71/80/593737180.db2.gz CVDSXEMLKQUSLP-ZDUSSCGKSA-N 1 0 333.344 1.398 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CSCCS2)c1 ZINC000819142685 593741007 /nfs/dbraw/zinc/74/10/07/593741007.db2.gz SZYOPHFJJLUKIH-GXTWGEPZSA-N 1 0 344.458 1.773 20 5 EDBDRO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[N@@H+]1C1CC1 ZINC000820667710 593858391 /nfs/dbraw/zinc/85/83/91/593858391.db2.gz NOVMFMSTKCNTOP-BDAKNGLRSA-N 1 0 330.352 1.207 20 5 EDBDRO CC1CC[NH+](CCCNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000820722345 593871787 /nfs/dbraw/zinc/87/17/87/593871787.db2.gz HXJUSDLJEMQYFF-UHFFFAOYSA-N 1 0 346.395 1.704 20 5 EDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823945833 593892132 /nfs/dbraw/zinc/89/21/32/593892132.db2.gz XYVYGVWCDNPLEX-GFCCVEGCSA-N 1 0 339.396 1.391 20 5 EDBDRO Nc1ccc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000823997671 593904196 /nfs/dbraw/zinc/90/41/96/593904196.db2.gz GNLOEUSSIUXWMN-NEPJUHHUSA-N 1 0 335.364 1.162 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000821080463 593960990 /nfs/dbraw/zinc/96/09/90/593960990.db2.gz GEXWGUYKDPZQSQ-AWEZNQCLSA-N 1 0 335.404 1.788 20 5 EDBDRO Cc1cc(F)cc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000840455316 594006188 /nfs/dbraw/zinc/00/61/88/594006188.db2.gz YCTDPSYDPOKDPF-ZDUSSCGKSA-N 1 0 339.367 1.619 20 5 EDBDRO CC(C)(CCC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[N+](=O)[O-] ZINC000822211082 594010910 /nfs/dbraw/zinc/01/09/10/594010910.db2.gz GAAHMKRMFNLCPS-UHFFFAOYSA-N 1 0 341.452 1.973 20 5 EDBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(-c2nn[nH]n2)c1 ZINC000824606523 594046581 /nfs/dbraw/zinc/04/65/81/594046581.db2.gz PTGRAIGOAVBEBT-JTQLQIEISA-N 1 0 328.336 1.322 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c(-c2nn[nH]n2)c1 ZINC000823639505 594223911 /nfs/dbraw/zinc/22/39/11/594223911.db2.gz BJGVHHNULKAQPY-GFCCVEGCSA-N 1 0 327.348 1.225 20 5 EDBDRO CN1C(=O)NCC12CC[NH+](CCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000823655979 594225069 /nfs/dbraw/zinc/22/50/69/594225069.db2.gz VQPCNOYZZWQOKO-UHFFFAOYSA-N 1 0 348.403 1.853 20 5 EDBDRO Cn1cc(C[N@@H+]2CCCN(C=O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000827876678 594295128 /nfs/dbraw/zinc/29/51/28/594295128.db2.gz ANHUAZTVNXYZSZ-UHFFFAOYSA-N 1 0 343.387 1.659 20 5 EDBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1[NH+](C)C ZINC000826226567 594386951 /nfs/dbraw/zinc/38/69/51/594386951.db2.gz BRDGTIXFRJRTFJ-QWHCGFSZSA-N 1 0 349.420 1.257 20 5 EDBDRO COCC[N@H+]1[C@H](C)CN(c2nc3ccccn3c2[N+](=O)[O-])C[C@@H]1C ZINC000826629221 594543124 /nfs/dbraw/zinc/54/31/24/594543124.db2.gz NHFKHLSVONLOGO-BETUJISGSA-N 1 0 333.392 1.788 20 5 EDBDRO COc1cc(F)c([N+](=O)[O-])c(N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1 ZINC000826677216 594553250 /nfs/dbraw/zinc/55/32/50/594553250.db2.gz KHHAAKJKCMBODD-JTQLQIEISA-N 1 0 340.355 1.299 20 5 EDBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000827028157 594626633 /nfs/dbraw/zinc/62/66/33/594626633.db2.gz QSBXRDYRNXXCQQ-CZUORRHYSA-N 1 0 335.404 1.722 20 5 EDBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N[C@@H](C)C[NH+](C)C ZINC000832534849 594756989 /nfs/dbraw/zinc/75/69/89/594756989.db2.gz PUQJIKGSTVEAHP-QMMMGPOBSA-N 1 0 326.328 1.372 20 5 EDBDRO C[C@H](CCC[NH3+])NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841999375 594998375 /nfs/dbraw/zinc/99/83/75/594998375.db2.gz IDEASDAZRFTLIO-CYBMUJFWSA-N 1 0 335.408 1.554 20 5 EDBDRO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000837304651 595081670 /nfs/dbraw/zinc/08/16/70/595081670.db2.gz HRCWQIYGOHZVSH-PSASIEDQSA-N 1 0 333.373 1.281 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000843513708 595138541 /nfs/dbraw/zinc/13/85/41/595138541.db2.gz AKFZJPPTFZWTDU-CQSZACIVSA-N 1 0 337.351 1.904 20 5 EDBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000842683283 595169646 /nfs/dbraw/zinc/16/96/46/595169646.db2.gz JBSXOKZHBRZDEW-VIFPVBQESA-N 1 0 333.797 1.539 20 5 EDBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000843811870 595192300 /nfs/dbraw/zinc/19/23/00/595192300.db2.gz JKUZWSVWBGOSFC-UHFFFAOYSA-N 1 0 325.340 1.229 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)CC[NH3+])c(C)c1[N+](=O)[O-] ZINC000842789966 595200068 /nfs/dbraw/zinc/20/00/68/595200068.db2.gz AFJVKKUOLDXZBE-ZETCQYMHSA-N 1 0 346.365 1.135 20 5 EDBDRO CCOC(=O)CN1CCC[C@@H](OC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000835188142 595276363 /nfs/dbraw/zinc/27/63/63/595276363.db2.gz POFSRYTXQBCPQS-GFCCVEGCSA-N 1 0 330.381 1.393 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2COc3ccccc3[C@@H]2O)c1 ZINC000843117598 595290643 /nfs/dbraw/zinc/29/06/43/595290643.db2.gz QZFSBENLLAPGGC-UXLLHSPISA-N 1 0 330.340 1.712 20 5 EDBDRO [NH3+]C[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000848438908 595379708 /nfs/dbraw/zinc/37/97/08/595379708.db2.gz YQESFWMINJGQLE-SECBINFHSA-N 1 0 343.664 1.936 20 5 EDBDRO C[N@@H+]1CC[C@@H](CCOC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000847824326 595488399 /nfs/dbraw/zinc/48/83/99/595488399.db2.gz LYELMMBZCWTAJM-LBPRGKRZSA-N 1 0 332.360 1.830 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2[NH2+]CCc3ccccc32)nc1 ZINC000850587643 595539195 /nfs/dbraw/zinc/53/91/95/595539195.db2.gz FONISTCBPZKWES-AWEZNQCLSA-N 1 0 348.384 1.155 20 5 EDBDRO C[C@@H](C[N@H+](C)CCn1ccc([N+](=O)[O-])n1)NC(=O)OC(C)(C)C ZINC000860093489 595575605 /nfs/dbraw/zinc/57/56/05/595575605.db2.gz CCTVLYAZNNPEIC-NSHDSACASA-N 1 0 327.385 1.636 20 5 EDBDRO O=C(N[C@@H]1CCCC[NH2+]C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764938 595599723 /nfs/dbraw/zinc/59/97/23/595599723.db2.gz FMKHNCCZIBNQSG-SNVBAGLBSA-N 1 0 329.303 1.825 20 5 EDBDRO CN(CCC[NH+](C)C)CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000855416131 595705608 /nfs/dbraw/zinc/70/56/08/595705608.db2.gz HEDOLEWWUZEAOO-JXMROGBWSA-N 1 0 334.420 1.608 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)cc([N+](=O)[O-])c1F ZINC000858619307 595846940 /nfs/dbraw/zinc/84/69/40/595846940.db2.gz MRNJLWILKGUJEK-LBPRGKRZSA-N 1 0 343.380 1.605 20 5 EDBDRO COc1cc(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)ccc1[N+](=O)[O-] ZINC000858631749 595851314 /nfs/dbraw/zinc/85/13/14/595851314.db2.gz HWIIGPLNEGJFDB-NXEZZACHSA-N 1 0 329.378 1.022 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@]1(C)C[C@H](OC)C[N@@H+]1C ZINC000861344418 595951457 /nfs/dbraw/zinc/95/14/57/595951457.db2.gz PAIZBOWFZFFZGG-BLLLJJGKSA-N 1 0 338.360 1.869 20 5 EDBDRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000861345635 595952187 /nfs/dbraw/zinc/95/21/87/595952187.db2.gz XKJVXHUOESMXGJ-SWLSCSKDSA-N 1 0 340.380 1.142 20 5 EDBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cccc([N+](=O)[O-])c1Cl ZINC000861856321 596126202 /nfs/dbraw/zinc/12/62/02/596126202.db2.gz GKRQXRFYTAGLSV-NSHDSACASA-N 1 0 341.795 1.825 20 5 EDBDRO CC[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1cccc([N+](=O)[O-])c1 ZINC000866555816 596250258 /nfs/dbraw/zinc/25/02/58/596250258.db2.gz OLMSMQOYWWABFT-NVXWUHKLSA-N 1 0 349.387 1.263 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc([N+](=O)[O-])c1F ZINC000866827928 596368551 /nfs/dbraw/zinc/36/85/51/596368551.db2.gz TXWLCYHPUOCMCC-NWDGAFQWSA-N 1 0 343.380 1.557 20 5 EDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000865485525 596587925 /nfs/dbraw/zinc/58/79/25/596587925.db2.gz RZJWNQZVFRMTMQ-DTWKUNHWSA-N 1 0 349.313 1.622 20 5 EDBDRO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000863549900 596615263 /nfs/dbraw/zinc/61/52/63/596615263.db2.gz KVFOBSZQBUEONG-CVEARBPZSA-N 1 0 346.387 1.352 20 5 EDBDRO C[NH2+]C1(CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CCC1 ZINC000863922759 596717718 /nfs/dbraw/zinc/71/77/18/596717718.db2.gz BRRMPFHAGCMGCK-UHFFFAOYSA-N 1 0 336.348 1.992 20 5 EDBDRO CC(C)(O)C[N@@H+]1CC[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000865996571 596751972 /nfs/dbraw/zinc/75/19/72/596751972.db2.gz KPUPPJCCFDHFIA-LBPRGKRZSA-N 1 0 330.388 1.822 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CC[C@H]21 ZINC000866205731 596826870 /nfs/dbraw/zinc/82/68/70/596826870.db2.gz GZLQJAWHKLZCSQ-ZWNOBZJWSA-N 1 0 329.360 1.774 20 5 EDBDRO O=C1CC2(COC2)CN1CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000872618178 596993085 /nfs/dbraw/zinc/99/30/85/596993085.db2.gz PYPIGBSYXGGMFR-OAHLLOKOSA-N 1 0 345.399 1.981 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)ccc1[N+](=O)[O-] ZINC000874366387 597038810 /nfs/dbraw/zinc/03/88/10/597038810.db2.gz HSHYVFQDGHSQFW-GJZGRUSLSA-N 1 0 346.387 1.537 20 5 EDBDRO Cc1nn(CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000872723648 597046096 /nfs/dbraw/zinc/04/60/96/597046096.db2.gz NJSNUSGRCNUXNP-WFASDCNBSA-N 1 0 330.392 1.631 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000874437728 597078886 /nfs/dbraw/zinc/07/88/86/597078886.db2.gz AJSPBXGIXXWRFZ-CYBMUJFWSA-N 1 0 334.420 1.577 20 5 EDBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)C(F)F)cc([N+](=O)[O-])c2)CC1 ZINC000876229077 597145967 /nfs/dbraw/zinc/14/59/67/597145967.db2.gz YEVYAYGWZYLOCS-UHFFFAOYSA-N 1 0 342.346 1.965 20 5 EDBDRO CC1(C)[C@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H]1[NH3+] ZINC000876553763 597238242 /nfs/dbraw/zinc/23/82/42/597238242.db2.gz XIMSWDALAVNBMD-WFASDCNBSA-N 1 0 332.404 1.617 20 5 EDBDRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000876895436 597374870 /nfs/dbraw/zinc/37/48/70/597374870.db2.gz BGABPIZCFHJTSI-SCOBNMCVSA-N 1 0 333.392 1.511 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(F)(F)F ZINC000877364662 597501811 /nfs/dbraw/zinc/50/18/11/597501811.db2.gz BIDOGHNMOCQUML-SKDRFNHKSA-N 1 0 347.293 1.569 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000877367755 597502474 /nfs/dbraw/zinc/50/24/74/597502474.db2.gz NMCUWEWVPABXNY-GMSGAONNSA-N 1 0 335.257 1.943 20 5 EDBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)[C@@H]2C1 ZINC000877535831 597532391 /nfs/dbraw/zinc/53/23/91/597532391.db2.gz GDKCZYGZHWGCMR-AQYCSSCBSA-N 1 0 347.419 1.731 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000877668587 597546472 /nfs/dbraw/zinc/54/64/72/597546472.db2.gz RYNGRLXPMMBMGW-CALCHBBNSA-N 1 0 331.372 1.696 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@H]2CCCSCC2)cc1 ZINC000877831795 597560898 /nfs/dbraw/zinc/56/08/98/597560898.db2.gz ZJGCWGJMCIONKS-NWANDNLSSA-N 1 0 326.418 1.864 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)n1 ZINC000879499319 597609616 /nfs/dbraw/zinc/60/96/16/597609616.db2.gz PVIXTVGHXIHSNE-CQSZACIVSA-N 1 0 328.376 1.671 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000879575777 597638614 /nfs/dbraw/zinc/63/86/14/597638614.db2.gz OVVBMZDGWFNTHX-DZGCQCFKSA-N 1 0 332.404 1.949 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000881957939 597818363 /nfs/dbraw/zinc/81/83/63/597818363.db2.gz VUEQSZOUGJKLQX-CYBMUJFWSA-N 1 0 348.403 1.620 20 5 EDBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000883897807 597935970 /nfs/dbraw/zinc/93/59/70/597935970.db2.gz NZYFSWUWLJUBPN-CYBMUJFWSA-N 1 0 336.396 1.232 20 5 EDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000882478464 597970091 /nfs/dbraw/zinc/97/00/91/597970091.db2.gz VOSXTXVOCVJJBY-ZDUSSCGKSA-N 1 0 329.360 1.605 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3C(=O)NC3CC3)C[C@@H]2C1 ZINC000882522511 597985563 /nfs/dbraw/zinc/98/55/63/597985563.db2.gz WGQGTJXPGWRTBC-OLZOCXBDSA-N 1 0 344.415 1.875 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)C1 ZINC000825390458 607451873 /nfs/dbraw/zinc/45/18/73/607451873.db2.gz FROLXHZEOXTRRQ-NSHDSACASA-N 1 0 331.380 1.553 20 5 EDBDRO CCO[C@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000914240103 695300006 /nfs/dbraw/zinc/30/00/06/695300006.db2.gz YXNZAZAYGLXMOO-IUODEOHRSA-N 1 0 338.408 1.922 20 5 EDBDRO C[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000917928503 697110591 /nfs/dbraw/zinc/11/05/91/697110591.db2.gz BFIUPUSXEDHZKW-ZDUSSCGKSA-N 1 0 341.433 1.889 20 5 EDBDRO C[N@H+](C[C@H]1CCOC1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000154780722 697196519 /nfs/dbraw/zinc/19/65/19/697196519.db2.gz PQFWCPUKXZEUHN-CYBMUJFWSA-N 1 0 334.376 1.763 20 5 EDBDRO C[C@@H]1[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC[N@@H+]1C ZINC000925334800 697531570 /nfs/dbraw/zinc/53/15/70/697531570.db2.gz NPPRVXDYAPSQRU-IAQYHMDHSA-N 1 0 334.376 1.460 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000996900454 703170613 /nfs/dbraw/zinc/17/06/13/703170613.db2.gz OLBYLTUMQWDARR-ITGUQSILSA-N 1 0 347.419 1.455 20 5 EDBDRO Cc1coc(C(=O)N2CCC([NH2+]Cc3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC000996912293 703182374 /nfs/dbraw/zinc/18/23/74/703182374.db2.gz FUPWCQQPFWVZCZ-UHFFFAOYSA-N 1 0 347.375 1.624 20 5 EDBDRO O=C(Cc1nnc[nH]1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997161734 703449837 /nfs/dbraw/zinc/44/98/37/703449837.db2.gz RHFDLXGKMOSNAH-UHFFFAOYSA-N 1 0 344.375 1.036 20 5 EDBDRO O=C(c1cn[nH]c1)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000997576488 703857737 /nfs/dbraw/zinc/85/77/37/703857737.db2.gz WXNZSUJLQQXQFB-UHFFFAOYSA-N 1 0 343.387 1.960 20 5 EDBDRO Cc1nn(C(C)C)cc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002789607 709384005 /nfs/dbraw/zinc/38/40/05/709384005.db2.gz VROZBMONWFAUIU-HZPDHXFCSA-N 1 0 349.435 1.518 20 5 EDBDRO CN1C[C@@H](CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O ZINC000922490004 711609602 /nfs/dbraw/zinc/60/96/02/711609602.db2.gz VRRZAHIAOBMCIZ-NSHDSACASA-N 1 0 335.360 1.324 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000175067145 231379175 /nfs/dbraw/zinc/37/91/75/231379175.db2.gz UDPZBKSEZNDGMP-UHFFFAOYSA-N 1 0 341.433 1.976 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000175085473 231381525 /nfs/dbraw/zinc/38/15/25/231381525.db2.gz XNTASPMVGRKONK-MNOVXSKESA-N 1 0 345.396 1.885 20 5 EDBDRO CN(C)c1cccc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000090560654 282297660 /nfs/dbraw/zinc/29/76/60/282297660.db2.gz FSNUITUBHIKFAK-UHFFFAOYSA-N 1 0 330.388 1.955 20 5 EDBDRO CN(CC[N@H+](C)C1CC1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000186738515 529902891 /nfs/dbraw/zinc/90/28/91/529902891.db2.gz RRCRKRYHWUKGKG-UHFFFAOYSA-N 1 0 332.404 1.510 20 5 EDBDRO C[N@H+](CCOc1ccc(F)cc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159689496 529925592 /nfs/dbraw/zinc/92/55/92/529925592.db2.gz YLZQRARVFXZCGI-UHFFFAOYSA-N 1 0 335.335 1.906 20 5 EDBDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000559857474 306259103 /nfs/dbraw/zinc/25/91/03/306259103.db2.gz WXQYECIUOASQHZ-LLVKDONJSA-N 1 0 346.391 1.612 20 5 EDBDRO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CCC[NH2+]1 ZINC000178737513 232428715 /nfs/dbraw/zinc/42/87/15/232428715.db2.gz LBHMNCQRGUPXHS-NSHDSACASA-N 1 0 348.359 1.151 20 5 EDBDRO C[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[NH+]1CCC(C)CC1 ZINC000102340988 219196225 /nfs/dbraw/zinc/19/62/25/219196225.db2.gz MLTLQFLJPXPQJP-CYBMUJFWSA-N 1 0 337.424 1.763 20 5 EDBDRO C[C@@H](CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000068354420 215302375 /nfs/dbraw/zinc/30/23/75/215302375.db2.gz BIUYVURYZBPVDS-NSHDSACASA-N 1 0 335.360 1.385 20 5 EDBDRO C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181491830 234205029 /nfs/dbraw/zinc/20/50/29/234205029.db2.gz JRFURAXCCYFWCF-QWHCGFSZSA-N 1 0 335.408 1.561 20 5 EDBDRO Cc1c([C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cnn1C ZINC000183472051 235096244 /nfs/dbraw/zinc/09/62/44/235096244.db2.gz XPNKYTXEMHSMFX-AAEUAGOBSA-N 1 0 334.376 1.727 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCCC[NH+]2CCCC2)c1F ZINC000413057331 304053813 /nfs/dbraw/zinc/05/38/13/304053813.db2.gz FRKLJKYAKXXZPF-UHFFFAOYSA-N 1 0 339.367 1.887 20 5 EDBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000046946519 138118620 /nfs/dbraw/zinc/11/86/20/138118620.db2.gz CQEZDZRJDPAXQU-CQSZACIVSA-N 1 0 334.420 1.659 20 5 EDBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000067118850 138184166 /nfs/dbraw/zinc/18/41/66/138184166.db2.gz UMYRKSJPBHAOED-JTQLQIEISA-N 1 0 333.385 1.743 20 5 EDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564839326 306366329 /nfs/dbraw/zinc/36/63/29/306366329.db2.gz BVDWTNRDVJLJEA-INIZCTEOSA-N 1 0 329.360 1.687 20 5 EDBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237800562 283512686 /nfs/dbraw/zinc/51/26/86/283512686.db2.gz HSOQRSUYJYMGPB-ABAIWWIYSA-N 1 0 329.360 1.638 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000565715631 306389717 /nfs/dbraw/zinc/38/97/17/306389717.db2.gz IHEKAXATDQISMG-GXFFZTMASA-N 1 0 327.406 1.515 20 5 EDBDRO C[NH+](C)C[C@](C)(O)CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000132993627 223380203 /nfs/dbraw/zinc/38/02/03/223380203.db2.gz NUDKUBCEBJZYMB-LLVKDONJSA-N 1 0 333.186 1.477 20 5 EDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418319282 283978405 /nfs/dbraw/zinc/97/84/05/283978405.db2.gz ORYPSRSSOXRYOD-CQSZACIVSA-N 1 0 347.419 1.426 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000193416826 138968799 /nfs/dbraw/zinc/96/87/99/138968799.db2.gz IZPUNRDWGAVYQT-GZMMTYOYSA-N 1 0 347.368 1.019 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193809089 138978748 /nfs/dbraw/zinc/97/87/48/138978748.db2.gz XZQSTUTWCQZNDI-HNNXBMFYSA-N 1 0 343.387 1.430 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000019230253 212006900 /nfs/dbraw/zinc/00/69/00/212006900.db2.gz BKIXIMGFHMOQGW-SECBINFHSA-N 1 0 333.797 1.668 20 5 EDBDRO Cc1c(C(=O)N[C@H](C[NH3+])CC(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000236670171 139028108 /nfs/dbraw/zinc/02/81/08/139028108.db2.gz PMKGPZLCJZVILO-LBPRGKRZSA-N 1 0 346.391 1.587 20 5 EDBDRO COc1cc(S(=O)(=O)NC2(C[NH3+])CCCC2)ccc1[N+](=O)[O-] ZINC000237228766 139045040 /nfs/dbraw/zinc/04/50/40/139045040.db2.gz UWMQPCYNQQMDSN-UHFFFAOYSA-N 1 0 329.378 1.153 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000237327497 139048064 /nfs/dbraw/zinc/04/80/64/139048064.db2.gz FUDBZIJFQHWXEM-OLZOCXBDSA-N 1 0 341.433 1.960 20 5 EDBDRO C[NH+](C)[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000111606383 220169263 /nfs/dbraw/zinc/16/92/63/220169263.db2.gz VRJQGQOZWITPDP-NSHDSACASA-N 1 0 330.344 1.212 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000237790387 139060539 /nfs/dbraw/zinc/06/05/39/139060539.db2.gz MXCIXZNMDDPHNT-DGCLKSJQSA-N 1 0 327.406 1.699 20 5 EDBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000567667119 306457802 /nfs/dbraw/zinc/45/78/02/306457802.db2.gz AXHMYJJYIHOMFP-AWEZNQCLSA-N 1 0 335.360 1.832 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415282432 304184742 /nfs/dbraw/zinc/18/47/42/304184742.db2.gz MLFOTDCBHPDABQ-SNVBAGLBSA-N 1 0 338.339 1.130 20 5 EDBDRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCCCC1 ZINC000415283279 304185354 /nfs/dbraw/zinc/18/53/54/304185354.db2.gz SOROQFDSDVKTIR-UHFFFAOYSA-N 1 0 338.339 1.450 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415358540 304203449 /nfs/dbraw/zinc/20/34/49/304203449.db2.gz XOAQQFFYRVFGLT-VXGBXAGGSA-N 1 0 334.376 1.346 20 5 EDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCn2cc([N+](=O)[O-])nc2C)[C@@H](C)C1 ZINC000247468019 139149519 /nfs/dbraw/zinc/14/95/19/139149519.db2.gz RQWUPYRQVYZGJY-GXTWGEPZSA-N 1 0 337.424 1.679 20 5 EDBDRO [NH3+]C1(CNC(=O)Nc2ccncc2[N+](=O)[O-])C2CC3CC(C2)CC1C3 ZINC000415390358 304212261 /nfs/dbraw/zinc/21/22/61/304212261.db2.gz UQQJSBHGEVOLCZ-UHFFFAOYSA-N 1 0 345.403 1.687 20 5 EDBDRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415413461 304217344 /nfs/dbraw/zinc/21/73/44/304217344.db2.gz YTIUWQIIEQROMK-SECBINFHSA-N 1 0 340.767 1.303 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCCC[C@H]2n2cccn2)c1 ZINC000251889083 139203203 /nfs/dbraw/zinc/20/32/03/139203203.db2.gz WTHAYUAKAMZFKV-QLFBSQMISA-N 1 0 334.380 1.122 20 5 EDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000261621078 139211918 /nfs/dbraw/zinc/21/19/18/139211918.db2.gz ADWHCBZDQFTLKW-RYUDHWBXSA-N 1 0 329.360 1.590 20 5 EDBDRO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000261641238 139213564 /nfs/dbraw/zinc/21/35/64/139213564.db2.gz WZIXMCFHCOMJLR-WRWORJQWSA-N 1 0 328.166 1.919 20 5 EDBDRO C[NH2+][C@H](C)Cc1noc(-c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000261896517 139234927 /nfs/dbraw/zinc/23/49/27/139234927.db2.gz YBMXLPXSKWHXKJ-SNVBAGLBSA-N 1 0 328.332 1.981 20 5 EDBDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415490382 304224521 /nfs/dbraw/zinc/22/45/21/304224521.db2.gz CJSKYUCEMBBBTD-SNVBAGLBSA-N 1 0 326.328 1.306 20 5 EDBDRO COC(=O)COc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000262007872 139243547 /nfs/dbraw/zinc/24/35/47/139243547.db2.gz UUFMRWIYDBOPCR-MELADBBJSA-N 1 0 349.387 1.316 20 5 EDBDRO COc1ccc(-c2ccc(CNC[C@H]3C[NH2+]C[C@H]3O)o2)c([N+](=O)[O-])c1 ZINC000262065321 139247942 /nfs/dbraw/zinc/24/79/42/139247942.db2.gz AXEVLXJGQMEJPK-MEDUHNTESA-N 1 0 347.371 1.533 20 5 EDBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000362030302 183846611 /nfs/dbraw/zinc/84/66/11/183846611.db2.gz VXVWEDFXPHPABH-BZUAXINKSA-N 1 0 349.387 1.484 20 5 EDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415519000 250983982 /nfs/dbraw/zinc/98/39/82/250983982.db2.gz JEYTUTBAVMMNEX-RKDXNWHRSA-N 1 0 340.767 1.382 20 5 EDBDRO C[C@]1(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000262293182 139267239 /nfs/dbraw/zinc/26/72/39/139267239.db2.gz NLUSELSAJQQGCJ-AWEZNQCLSA-N 1 0 327.406 1.404 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000262306962 139268649 /nfs/dbraw/zinc/26/86/49/139268649.db2.gz CHWFUSXMVZWLAZ-RYUDHWBXSA-N 1 0 329.360 1.590 20 5 EDBDRO C[C@H]1C[C@@H](C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC[NH2+]1 ZINC000262314504 139269218 /nfs/dbraw/zinc/26/92/18/139269218.db2.gz BDMUKKPUONBBRH-AVGNSLFASA-N 1 0 333.392 1.391 20 5 EDBDRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000262316704 139269475 /nfs/dbraw/zinc/26/94/75/139269475.db2.gz ZTOXPSAPDYLKSM-UHFFFAOYSA-N 1 0 345.334 1.791 20 5 EDBDRO CCCN(C(=O)NCc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CC[NH2+]C1 ZINC000417172211 251144366 /nfs/dbraw/zinc/14/43/66/251144366.db2.gz FSFQCKBVZGHJND-CQSZACIVSA-N 1 0 336.392 1.887 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000417767738 251261420 /nfs/dbraw/zinc/26/14/20/251261420.db2.gz QVSWHWRCBLDZNJ-LSDHHAIUSA-N 1 0 332.404 1.825 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000262464555 139280839 /nfs/dbraw/zinc/28/08/39/139280839.db2.gz IVCBXVRFAVNIHW-YPMHNXCESA-N 1 0 325.390 1.276 20 5 EDBDRO COc1cc(C[NH2+][C@@H]2CCN(CC(F)F)C2)c([N+](=O)[O-])cc1O ZINC000418130665 251338678 /nfs/dbraw/zinc/33/86/78/251338678.db2.gz GUTYYSCETMQKLX-SNVBAGLBSA-N 1 0 331.319 1.738 20 5 EDBDRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000420435335 251721206 /nfs/dbraw/zinc/72/12/06/251721206.db2.gz SEPXHGBJPPEQMS-AWEZNQCLSA-N 1 0 327.406 1.138 20 5 EDBDRO COC(=O)c1cc(NC(=O)NC[C@H]([NH3+])C(C)C)c(C)c([N+](=O)[O-])c1 ZINC000415594348 304235119 /nfs/dbraw/zinc/23/51/19/304235119.db2.gz GEIMJDKFYGJDQX-NSHDSACASA-N 1 0 338.364 1.795 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000262781745 139303190 /nfs/dbraw/zinc/30/31/90/139303190.db2.gz PAKQDLMEXSHXGD-DGCLKSJQSA-N 1 0 327.406 1.488 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000262846140 139307588 /nfs/dbraw/zinc/30/75/88/139307588.db2.gz JKUASYBJFSCQCP-WCQYABFASA-N 1 0 329.360 1.651 20 5 EDBDRO C[C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000424028732 252120674 /nfs/dbraw/zinc/12/06/74/252120674.db2.gz YYNNKCQKXIAQTC-OCCSQVGLSA-N 1 0 343.387 1.837 20 5 EDBDRO COc1cc(C[NH2+]C[C@@H]2CCN(C)C(=O)C2)c([N+](=O)[O-])cc1OC ZINC000424192032 252157721 /nfs/dbraw/zinc/15/77/21/252157721.db2.gz RBPDIALQBRPOOZ-LLVKDONJSA-N 1 0 337.376 1.570 20 5 EDBDRO COc1ccc(NC(=O)[C@@H](C)N[C@@H]2CCCC[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000424299627 252191442 /nfs/dbraw/zinc/19/14/42/252191442.db2.gz FFLZGTXVWXXREZ-RAIGVLPGSA-N 1 0 336.392 1.790 20 5 EDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000424337948 252198372 /nfs/dbraw/zinc/19/83/72/252198372.db2.gz AGGGDXOHBXMDEE-MFKMUULPSA-N 1 0 348.359 1.049 20 5 EDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000424337947 252198394 /nfs/dbraw/zinc/19/83/94/252198394.db2.gz AGGGDXOHBXMDEE-GXFFZTMASA-N 1 0 348.359 1.049 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415641302 304244982 /nfs/dbraw/zinc/24/49/82/304244982.db2.gz FVNQHIVDIZMQKB-NWDGAFQWSA-N 1 0 334.376 1.482 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374940204 285076363 /nfs/dbraw/zinc/07/63/63/285076363.db2.gz AMLOPBGMMUWYCT-UHFFFAOYSA-N 1 0 339.367 1.397 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(N3CC[C@@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000420254101 285106878 /nfs/dbraw/zinc/10/68/78/285106878.db2.gz QXEGWKNIJCKXKQ-CQSZACIVSA-N 1 0 344.375 1.129 20 5 EDBDRO COc1cc(OCC(=O)N2CC[C@@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000172209873 533090509 /nfs/dbraw/zinc/09/05/09/533090509.db2.gz LPXODJCZECYHNS-LBPRGKRZSA-N 1 0 337.376 1.392 20 5 EDBDRO COc1cc(CCNC(=O)[C@]2(C)CC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000429765298 254509795 /nfs/dbraw/zinc/50/97/95/254509795.db2.gz ASGGJZPLGSDLAJ-MRXNPFEDSA-N 1 0 337.376 1.270 20 5 EDBDRO COCCC[NH+]1CCC(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000263734174 139356396 /nfs/dbraw/zinc/35/63/96/139356396.db2.gz DCZOZUZAIPOXKK-UHFFFAOYSA-N 1 0 336.392 1.607 20 5 EDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000493146072 255193141 /nfs/dbraw/zinc/19/31/41/255193141.db2.gz GSBJYECBTJBMSH-MMTGSJLXSA-N 1 0 349.362 1.320 20 5 EDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000495135366 255269753 /nfs/dbraw/zinc/26/97/53/255269753.db2.gz GDDWMNRSAFXHDW-ZDUSSCGKSA-N 1 0 336.396 1.232 20 5 EDBDRO [NH3+]CCCC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269035924 139868947 /nfs/dbraw/zinc/86/89/47/139868947.db2.gz KMYYPAMNTFXJMF-UHFFFAOYSA-N 1 0 334.298 1.881 20 5 EDBDRO CS[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@H]1[NH+](C)C ZINC000270984601 140213874 /nfs/dbraw/zinc/21/38/74/140213874.db2.gz DFIDAJSQJBQKHD-HUUCEWRRSA-N 1 0 337.445 1.950 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@H+](C)CC1(C)C ZINC000271081900 140232719 /nfs/dbraw/zinc/23/27/19/140232719.db2.gz YPHLWWIEQSYSBG-GFCCVEGCSA-N 1 0 348.403 1.266 20 5 EDBDRO Nc1nc(NCC2CCN(c3cc[nH+]cc3)CC2)ncc1[N+](=O)[O-] ZINC000271459775 140298430 /nfs/dbraw/zinc/29/84/30/140298430.db2.gz QYGBEBHQQPQEAM-UHFFFAOYSA-N 1 0 329.364 1.691 20 5 EDBDRO C[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000271859414 140362565 /nfs/dbraw/zinc/36/25/65/140362565.db2.gz NUUGLASEKOLPQZ-RYUDHWBXSA-N 1 0 343.405 1.030 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[NH2+]C1CC1 ZINC000314572369 140655463 /nfs/dbraw/zinc/65/54/63/140655463.db2.gz YAPPRBPSLAJREM-UHFFFAOYSA-N 1 0 329.378 1.024 20 5 EDBDRO Cn1c(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000332173533 141135170 /nfs/dbraw/zinc/13/51/70/141135170.db2.gz TXTXCUXYWRRMJE-UHFFFAOYSA-N 1 0 349.435 1.222 20 5 EDBDRO CC[N@@H+]1C[C@@H](C)N(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000332376412 141171482 /nfs/dbraw/zinc/17/14/82/141171482.db2.gz ZNANHYKJVFZTFL-ZIAGYGMSSA-N 1 0 346.431 1.898 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc(OC)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000339383657 142032586 /nfs/dbraw/zinc/03/25/86/142032586.db2.gz ATQPIIUDNSQDTC-NVXWUHKLSA-N 1 0 335.404 1.898 20 5 EDBDRO O=C(CC[NH+]1CCC(OCCO)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000339829249 142170124 /nfs/dbraw/zinc/17/01/24/142170124.db2.gz PVCFBRMBEMIROA-UHFFFAOYSA-N 1 0 337.376 1.397 20 5 EDBDRO Cc1cc(N[C@H](CC(C)C)C(=O)NCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000340078094 142258706 /nfs/dbraw/zinc/25/87/06/142258706.db2.gz KVJIQWSDAYFRAR-CYBMUJFWSA-N 1 0 337.424 1.803 20 5 EDBDRO CN(Cc1ncc[nH]1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000345654109 143116930 /nfs/dbraw/zinc/11/69/30/143116930.db2.gz SWEUXAKAKLEXDA-UHFFFAOYSA-N 1 0 340.343 1.919 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)n1 ZINC000346260969 143184575 /nfs/dbraw/zinc/18/45/75/143184575.db2.gz LOKFILMZMABHIF-FRRDWIJNSA-N 1 0 335.408 1.614 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+](C)C)cc1OC ZINC000346286398 143187149 /nfs/dbraw/zinc/18/71/49/143187149.db2.gz ZOOKBMODJSTKHC-SNVBAGLBSA-N 1 0 325.365 1.682 20 5 EDBDRO CC[C@@H]([NH3+])CNC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000416899277 304354139 /nfs/dbraw/zinc/35/41/39/304354139.db2.gz DZLNCUJOEYFPRQ-LLVKDONJSA-N 1 0 340.380 1.191 20 5 EDBDRO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1(CCO)CCOCC1 ZINC000353037162 149262997 /nfs/dbraw/zinc/26/29/97/149262997.db2.gz JQXJMCHLJLXTJJ-UHFFFAOYSA-N 1 0 337.376 1.397 20 5 EDBDRO CCn1cc(S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C)c([N+](=O)[O-])n1 ZINC000353094811 149283791 /nfs/dbraw/zinc/28/37/91/149283791.db2.gz DWAKHEZOWLVXJV-LLVKDONJSA-N 1 0 347.441 1.066 20 5 EDBDRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc([N+](=O)[O-])n3C)CC2)c1 ZINC000354987542 150066002 /nfs/dbraw/zinc/06/60/02/150066002.db2.gz QHXWHGUCBAGVPX-UHFFFAOYSA-N 1 0 345.359 1.299 20 5 EDBDRO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369974941 155261665 /nfs/dbraw/zinc/26/16/65/155261665.db2.gz QQBWIFMCIZRNSN-JSGCOSHPSA-N 1 0 326.397 1.604 20 5 EDBDRO C[NH+](C)CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CCCC1 ZINC000355336100 150222958 /nfs/dbraw/zinc/22/29/58/150222958.db2.gz GDWXOYNZCGAEEG-UHFFFAOYSA-N 1 0 336.392 1.089 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](CCO)C2)cc1[N+](=O)[O-] ZINC000355777907 150397908 /nfs/dbraw/zinc/39/79/08/150397908.db2.gz YIUYMWULAYDPEJ-GFCCVEGCSA-N 1 0 338.360 1.351 20 5 EDBDRO CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[NH+]1CCC(C)CC1 ZINC000356157360 150535313 /nfs/dbraw/zinc/53/53/13/150535313.db2.gz UNVZVYGBPXUDHU-AWEZNQCLSA-N 1 0 337.424 1.815 20 5 EDBDRO C[C@H]1CCC[C@](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)([NH+](C)C)C1 ZINC000357875707 151180694 /nfs/dbraw/zinc/18/06/94/151180694.db2.gz BVERUQUJFQUCNV-ZBEGNZNMSA-N 1 0 336.392 1.936 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000358252145 151317859 /nfs/dbraw/zinc/31/78/59/151317859.db2.gz SCPDQGVSXJPAST-KCPJHIHWSA-N 1 0 348.403 1.816 20 5 EDBDRO C[C@@H](NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000417145595 304377793 /nfs/dbraw/zinc/37/77/93/304377793.db2.gz WZPOUPSKCNDGLR-CZUORRHYSA-N 1 0 347.419 1.345 20 5 EDBDRO COCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[C@H](C)C1 ZINC000362151661 152629108 /nfs/dbraw/zinc/62/91/08/152629108.db2.gz UDKBNPLUJUMGQB-YDHLFZDLSA-N 1 0 326.397 1.289 20 5 EDBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000364197698 153170102 /nfs/dbraw/zinc/17/01/02/153170102.db2.gz VNFRHFOVQCYHGX-DMTCVQMQSA-N 1 0 325.315 1.192 20 5 EDBDRO [NH3+][C@H]1CCC[C@@]12CCN(S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000364199898 153170548 /nfs/dbraw/zinc/17/05/48/153170548.db2.gz FABDIOCJBNJFBS-GJZGRUSLSA-N 1 0 339.417 1.628 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000364208974 153174017 /nfs/dbraw/zinc/17/40/17/153174017.db2.gz MPMSAFOKRBWRNH-ZIAGYGMSSA-N 1 0 347.350 1.192 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000364208972 153174222 /nfs/dbraw/zinc/17/42/22/153174222.db2.gz MPMSAFOKRBWRNH-KGLIPLIRSA-N 1 0 347.350 1.192 20 5 EDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000364465865 153244976 /nfs/dbraw/zinc/24/49/76/153244976.db2.gz CZCKNIAMBRAKFW-ZIAGYGMSSA-N 1 0 348.403 1.254 20 5 EDBDRO NC(=O)c1ncn([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000364532299 153260394 /nfs/dbraw/zinc/26/03/94/153260394.db2.gz SNKMXDLWMPGFDF-CYBMUJFWSA-N 1 0 330.348 1.122 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417223892 304385561 /nfs/dbraw/zinc/38/55/61/304385561.db2.gz HIYUVYVXDKUZEH-QLFBSQMISA-N 1 0 332.404 1.825 20 5 EDBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000366632853 153874705 /nfs/dbraw/zinc/87/47/05/153874705.db2.gz RAAQZHCEXKQAJM-KBPBESRZSA-N 1 0 332.404 1.997 20 5 EDBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCn2ccnc21 ZINC000367120964 154015311 /nfs/dbraw/zinc/01/53/11/154015311.db2.gz KLOOBUWTMFHJJS-VIFPVBQESA-N 1 0 333.323 1.820 20 5 EDBDRO O=C1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C2CC2)N1 ZINC000367456895 154130926 /nfs/dbraw/zinc/13/09/26/154130926.db2.gz DGQAOASHVDRQHL-MEDUHNTESA-N 1 0 330.344 1.883 20 5 EDBDRO CCC[N@@H+]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000371693153 156065640 /nfs/dbraw/zinc/06/56/40/156065640.db2.gz OUAIHBHBLJZSSZ-OAHLLOKOSA-N 1 0 337.420 1.752 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000374439039 157290835 /nfs/dbraw/zinc/29/08/35/157290835.db2.gz TWBANOAJYWHTAA-AWEZNQCLSA-N 1 0 335.408 1.480 20 5 EDBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1OC ZINC000575742674 306670662 /nfs/dbraw/zinc/67/06/62/306670662.db2.gz PWJHAUIVSINVPA-ARLBYUKCSA-N 1 0 340.376 1.117 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000378447138 158176938 /nfs/dbraw/zinc/17/69/38/158176938.db2.gz ASVQGJPSFMJCHI-WFASDCNBSA-N 1 0 348.403 1.839 20 5 EDBDRO CC[NH+](CC)CCS(=O)(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000352191499 162041327 /nfs/dbraw/zinc/04/13/27/162041327.db2.gz SASRTVDJRPULPC-UHFFFAOYSA-N 1 0 329.422 1.664 20 5 EDBDRO COc1cc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000352545430 162243953 /nfs/dbraw/zinc/24/39/53/162243953.db2.gz IMAJJINYDCHCID-HNNXBMFYSA-N 1 0 335.404 1.758 20 5 EDBDRO CC1(C)CN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[NH2+]1 ZINC000418086580 304456508 /nfs/dbraw/zinc/45/65/08/304456508.db2.gz ZBOMTKAOBFXOBM-UHFFFAOYSA-N 1 0 332.364 1.365 20 5 EDBDRO O=C(NCCC[NH+]1CCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000078799643 287295235 /nfs/dbraw/zinc/29/52/35/287295235.db2.gz HMTRGJVZFFWGGG-UHFFFAOYSA-N 1 0 343.387 1.996 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000160165317 225351508 /nfs/dbraw/zinc/35/15/08/225351508.db2.gz DJGAWYYIBXGVCN-CQSZACIVSA-N 1 0 345.421 1.645 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)n1 ZINC000191780581 272981398 /nfs/dbraw/zinc/98/13/98/272981398.db2.gz XTPNLPMBLCOGNL-AWEZNQCLSA-N 1 0 345.403 1.714 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CN(CCCO)CC(OC)OC ZINC000273615815 268065739 /nfs/dbraw/zinc/06/57/39/268065739.db2.gz PHWFLLSQZFLYKL-UHFFFAOYSA-N 1 0 328.365 1.407 20 5 EDBDRO COc1cccc(N2CC[NH+](CCC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000274712836 268189297 /nfs/dbraw/zinc/18/92/97/268189297.db2.gz VJGJAXIOZZUESI-UHFFFAOYSA-N 1 0 336.392 1.204 20 5 EDBDRO CN(Cc1nccc(N)n1)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000275553151 268359870 /nfs/dbraw/zinc/35/98/70/268359870.db2.gz GAWMSVQOACAXCQ-HNNXBMFYSA-N 1 0 342.403 1.673 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC1([NH+](C)C)CCC1 ZINC000275685709 273119739 /nfs/dbraw/zinc/11/97/39/273119739.db2.gz ZWFIPHYONJWMOF-UHFFFAOYSA-N 1 0 336.392 1.887 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000276950122 273171964 /nfs/dbraw/zinc/17/19/64/273171964.db2.gz BRBODGKUZNMMEA-NSHDSACASA-N 1 0 342.421 1.163 20 5 EDBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC[NH+](C2CC2)CC1 ZINC000279160214 273284843 /nfs/dbraw/zinc/28/48/43/273284843.db2.gz BLPJCHNTBWLPOS-UHFFFAOYSA-N 1 0 343.387 1.962 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000281973865 273562631 /nfs/dbraw/zinc/56/26/31/273562631.db2.gz OBTFEXNOLLXVTD-QWHCGFSZSA-N 1 0 348.403 1.301 20 5 EDBDRO C[C@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284146974 274096211 /nfs/dbraw/zinc/09/62/11/274096211.db2.gz PBQDBOPVCYZOHM-SMDDNHRTSA-N 1 0 335.408 1.167 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000284193143 274111789 /nfs/dbraw/zinc/11/17/89/274111789.db2.gz STYBXNPOHHVQEW-KGLIPLIRSA-N 1 0 335.360 1.149 20 5 EDBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000284491312 274221471 /nfs/dbraw/zinc/22/14/71/274221471.db2.gz GJQXLZVEQLOIDD-CJNGLKHVSA-N 1 0 331.376 1.774 20 5 EDBDRO COC(=O)c1cc(N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000284855714 274360950 /nfs/dbraw/zinc/36/09/50/274360950.db2.gz DXVHWOFMLSFLSO-HUUCEWRRSA-N 1 0 349.387 1.599 20 5 EDBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000255075897 287829217 /nfs/dbraw/zinc/82/92/17/287829217.db2.gz UHDBEZKFROYWMZ-YVACAVLKSA-N 1 0 345.399 1.789 20 5 EDBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193422284 277045390 /nfs/dbraw/zinc/04/53/90/277045390.db2.gz BCHMFYSFSXHJFE-OAHLLOKOSA-N 1 0 333.436 1.783 20 5 EDBDRO C[N@@H+]1CC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccccc1 ZINC000180176626 277165603 /nfs/dbraw/zinc/16/56/03/277165603.db2.gz YNFBDPZFJRCWIV-BBRMVZONSA-N 1 0 329.360 1.353 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000377165772 277389619 /nfs/dbraw/zinc/38/96/19/277389619.db2.gz RFPIVUIVLUUSLS-CJNGLKHVSA-N 1 0 335.404 1.898 20 5 EDBDRO COc1cccc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000413800761 278008042 /nfs/dbraw/zinc/00/80/42/278008042.db2.gz QNLKVIRJTABJKM-GFCCVEGCSA-N 1 0 337.376 1.180 20 5 EDBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000286569552 288036578 /nfs/dbraw/zinc/03/65/78/288036578.db2.gz DXNLXPAMLDLJMZ-DOMZBBRYSA-N 1 0 339.417 1.842 20 5 EDBDRO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000286818837 288096081 /nfs/dbraw/zinc/09/60/81/288096081.db2.gz QIAGDCUABQQIBH-ZDUSSCGKSA-N 1 0 344.375 1.307 20 5 EDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000186876586 288144838 /nfs/dbraw/zinc/14/48/38/288144838.db2.gz CDULUXDEOBZNCO-CYBMUJFWSA-N 1 0 335.404 1.441 20 5 EDBDRO O=C(NCC1=CC[NH2+]CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418534290 279835782 /nfs/dbraw/zinc/83/57/82/279835782.db2.gz AFFICQXNKXYGFE-UHFFFAOYSA-N 1 0 345.403 1.346 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCO[C@@H](C[NH+](C)C)C1 ZINC000287464375 288243615 /nfs/dbraw/zinc/24/36/15/288243615.db2.gz SEOUVHIUHGELNN-LBPRGKRZSA-N 1 0 337.376 1.457 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000262541295 280929344 /nfs/dbraw/zinc/92/93/44/280929344.db2.gz RDCQRGYDCIXWCB-PWSUYJOCSA-N 1 0 327.406 1.651 20 5 EDBDRO O=[N+]([O-])c1c(N[C@H](CO)C[NH+]2CCCCC2)nc2sccn21 ZINC000289089253 288627515 /nfs/dbraw/zinc/62/75/15/288627515.db2.gz JONOCHUOFSQGHD-JTQLQIEISA-N 1 0 325.394 1.563 20 5 EDBDRO CCCN(CC[NH+]1CCCCC1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291217682 289020540 /nfs/dbraw/zinc/02/05/40/289020540.db2.gz VTBGPPYGOGYXCY-UHFFFAOYSA-N 1 0 335.408 1.791 20 5 EDBDRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C2)C1 ZINC000291821345 289188715 /nfs/dbraw/zinc/18/87/15/289188715.db2.gz FCRHERLKFXMLQV-CQSZACIVSA-N 1 0 343.380 1.450 20 5 EDBDRO C[C@H](CCCC[NH3+])NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000292079825 289256521 /nfs/dbraw/zinc/25/65/21/289256521.db2.gz MAMDZUDPDHPJOJ-LLVKDONJSA-N 1 0 332.364 1.423 20 5 EDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000374395998 295215206 /nfs/dbraw/zinc/21/52/06/295215206.db2.gz WQYJTMBWQKQWCQ-FGWVZKOKSA-N 1 0 343.380 1.767 20 5 EDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000422869364 295255501 /nfs/dbraw/zinc/25/55/01/295255501.db2.gz WHUHBGZDWYSGTO-JSGCOSHPSA-N 1 0 348.403 1.289 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000332559222 295305066 /nfs/dbraw/zinc/30/50/66/295305066.db2.gz UBYSSBVQVWEPAC-CHWSQXEVSA-N 1 0 348.407 1.091 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000419271025 304584828 /nfs/dbraw/zinc/58/48/28/304584828.db2.gz OGFQPBNVBOTREZ-OBJOEFQTSA-N 1 0 348.403 1.324 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420430256 304757265 /nfs/dbraw/zinc/75/72/65/304757265.db2.gz CHXWYIMIIWECID-WCQYABFASA-N 1 0 327.406 1.055 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000420447439 304759634 /nfs/dbraw/zinc/75/96/34/304759634.db2.gz JJBRDQKDOWHEMG-GFCCVEGCSA-N 1 0 327.406 1.578 20 5 EDBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000420475684 304763317 /nfs/dbraw/zinc/76/33/17/304763317.db2.gz XGBVJGPNSDYAHO-AYBYRNOTSA-N 1 0 331.419 1.451 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CC[NH3+])C(F)F ZINC000420462976 304761052 /nfs/dbraw/zinc/76/10/52/304761052.db2.gz NKWNUKYZBFRWNY-SNVBAGLBSA-N 1 0 337.348 1.418 20 5 EDBDRO C[NH+](C)CCOC1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420607343 304770560 /nfs/dbraw/zinc/77/05/60/304770560.db2.gz YVNXRBRIAMEOMJ-UHFFFAOYSA-N 1 0 336.392 1.241 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000268266965 302046361 /nfs/dbraw/zinc/04/63/61/302046361.db2.gz RWSRLGFSDZFUHW-YPMHNXCESA-N 1 0 327.406 1.474 20 5 EDBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000568628160 302489603 /nfs/dbraw/zinc/48/96/03/302489603.db2.gz NJMNSJYGVPUIAQ-RYUDHWBXSA-N 1 0 340.405 1.000 20 5 EDBDRO Cc1sc(S(=O)(=O)NCC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000445730723 302880774 /nfs/dbraw/zinc/88/07/74/302880774.db2.gz DDHVFWJGEBTTSV-UHFFFAOYSA-N 1 0 333.435 1.727 20 5 EDBDRO CC(C)[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[NH+]1CCC(C)CC1 ZINC000161932589 302929390 /nfs/dbraw/zinc/92/93/90/302929390.db2.gz LMXOUXVUDMYNDO-CYBMUJFWSA-N 1 0 337.424 1.815 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC(C)(C)CO ZINC000295241817 303193192 /nfs/dbraw/zinc/19/31/92/303193192.db2.gz PKTXDSCUZRRSLN-UHFFFAOYSA-N 1 0 339.392 1.882 20 5 EDBDRO COc1cc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000295397214 303213883 /nfs/dbraw/zinc/21/38/83/303213883.db2.gz UGYLJUGKSZQUHS-SNVBAGLBSA-N 1 0 325.340 1.909 20 5 EDBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NC1CC[NH+](C2CCC2)CC1 ZINC000296615802 303326863 /nfs/dbraw/zinc/32/68/63/303326863.db2.gz XOYSAZZIZRCLHE-UHFFFAOYSA-N 1 0 336.396 1.107 20 5 EDBDRO C[C@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[C@@H](C)[C@H]1[NH3+] ZINC000297404609 303395275 /nfs/dbraw/zinc/39/52/75/303395275.db2.gz PUJOSEQIFIJHKC-MKBNYLNASA-N 1 0 343.387 1.978 20 5 EDBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000377756176 447337220 /nfs/dbraw/zinc/33/72/20/447337220.db2.gz PIFXYGQUDPUVIY-QWHCGFSZSA-N 1 0 338.339 1.589 20 5 EDBDRO COc1ccc(OCC[NH2+][C@@H](CO)[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000411994239 303947926 /nfs/dbraw/zinc/94/79/26/303947926.db2.gz NEKHWEBPGGTKBY-OCCSQVGLSA-N 1 0 340.376 1.359 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428037044 305004812 /nfs/dbraw/zinc/00/48/12/305004812.db2.gz XYCWRLCNOLRQCS-AAEUAGOBSA-N 1 0 334.376 1.226 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428044762 305005342 /nfs/dbraw/zinc/00/53/42/305005342.db2.gz VJDWQYJPKYFBSN-OBJOEFQTSA-N 1 0 348.403 1.614 20 5 EDBDRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000428534326 305010996 /nfs/dbraw/zinc/01/09/96/305010996.db2.gz OPSXZUZFPBOZLC-ZDUSSCGKSA-N 1 0 330.344 1.742 20 5 EDBDRO CC(C)NS(=O)(=O)NCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000428558922 305011703 /nfs/dbraw/zinc/01/17/03/305011703.db2.gz JCKHEAWJEQMRSG-ALCCZGGFSA-N 1 0 342.421 1.030 20 5 EDBDRO CC(C)([NH2+]C[C@@H](O)COC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000429264442 305027156 /nfs/dbraw/zinc/02/71/56/305027156.db2.gz MOGRMJLPGBQISO-CYBMUJFWSA-N 1 0 338.404 1.976 20 5 EDBDRO C[C@@H]1CC[C@H]([N@H+](CCO)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000429768705 305036498 /nfs/dbraw/zinc/03/64/98/305036498.db2.gz QHNXLUACMUKPMV-QLFBSQMISA-N 1 0 338.404 1.817 20 5 EDBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429770386 305036639 /nfs/dbraw/zinc/03/66/39/305036639.db2.gz KGJFPFLLXZPWNV-RYUDHWBXSA-N 1 0 334.376 1.428 20 5 EDBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000430832685 305065536 /nfs/dbraw/zinc/06/55/36/305065536.db2.gz ILNUAALGWVQDCW-CHWSQXEVSA-N 1 0 338.412 1.203 20 5 EDBDRO C[NH2+]C[C@H]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000430923675 305068478 /nfs/dbraw/zinc/06/84/78/305068478.db2.gz FXQWWQPDRIKUIP-NWDGAFQWSA-N 1 0 336.392 1.472 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000440433868 305206641 /nfs/dbraw/zinc/20/66/41/305206641.db2.gz BLLHQZUWVSOYHL-GFCCVEGCSA-N 1 0 341.389 1.118 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000440444840 305206913 /nfs/dbraw/zinc/20/69/13/305206913.db2.gz UFYDTKULNGKJEH-LBPRGKRZSA-N 1 0 325.390 1.418 20 5 EDBDRO C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447543204 305281700 /nfs/dbraw/zinc/28/17/00/305281700.db2.gz LDBUIUZGGVGGEM-MCIONIFRSA-N 1 0 335.408 1.876 20 5 EDBDRO O=C(NC[C@H]1C[NH2+]CCCO1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000449705191 305317679 /nfs/dbraw/zinc/31/76/79/305317679.db2.gz JRTGLBQPZDDTPY-CYBMUJFWSA-N 1 0 334.376 1.277 20 5 EDBDRO CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451548717 305352791 /nfs/dbraw/zinc/35/27/91/305352791.db2.gz NWKQAICAVHLAJL-MRXNPFEDSA-N 1 0 346.431 1.548 20 5 EDBDRO CC[C@H]1C[N@H+](CC)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451723727 305364684 /nfs/dbraw/zinc/36/46/84/305364684.db2.gz BCLNQJISTQZKPF-HOCLYGCPSA-N 1 0 337.420 1.751 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000452099513 305382652 /nfs/dbraw/zinc/38/26/52/305382652.db2.gz CGPVRSRUEJODHL-AWEZNQCLSA-N 1 0 341.433 1.839 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000452099514 305382667 /nfs/dbraw/zinc/38/26/67/305382667.db2.gz CGPVRSRUEJODHL-CQSZACIVSA-N 1 0 341.433 1.839 20 5 EDBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1ccc([N+](=O)[O-])cc1Cl ZINC000452348109 305391070 /nfs/dbraw/zinc/39/10/70/305391070.db2.gz KNKUPUYPLQLZDD-LBPRGKRZSA-N 1 0 341.795 1.825 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000493379639 305615287 /nfs/dbraw/zinc/61/52/87/305615287.db2.gz CRBUCCZUEHEALE-ZBFHGGJFSA-N 1 0 337.376 1.683 20 5 EDBDRO NC(=O)c1cn(CCCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])nn1 ZINC000515311510 305718783 /nfs/dbraw/zinc/71/87/83/305718783.db2.gz MNCJFKOJYKLAER-ZDUSSCGKSA-N 1 0 344.375 1.343 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000516261474 305735421 /nfs/dbraw/zinc/73/54/21/305735421.db2.gz IHIKJMJZPMQTIK-CHWSQXEVSA-N 1 0 336.392 1.742 20 5 EDBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000524151838 305814179 /nfs/dbraw/zinc/81/41/79/305814179.db2.gz CJCZAPTWMIKEKD-UHFFFAOYSA-N 1 0 335.360 1.534 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426226290 447402198 /nfs/dbraw/zinc/40/21/98/447402198.db2.gz HCGBOEZBFPOWHT-ZIAGYGMSSA-N 1 0 337.376 1.777 20 5 EDBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000045137459 440953523 /nfs/dbraw/zinc/95/35/23/440953523.db2.gz UTVMDIMSWGYSRG-UHFFFAOYSA-N 1 0 347.419 1.933 20 5 EDBDRO CC[NH+](CC)CCCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000005708394 440966321 /nfs/dbraw/zinc/96/63/21/440966321.db2.gz MJHQZRSBVXYTJL-UHFFFAOYSA-N 1 0 329.422 1.913 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000073534700 441322549 /nfs/dbraw/zinc/32/25/49/441322549.db2.gz GEBIZUOJXZDWPE-ZDUSSCGKSA-N 1 0 335.408 1.790 20 5 EDBDRO C[NH+]1CCC(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000048402680 441303778 /nfs/dbraw/zinc/30/37/78/441303778.db2.gz DGBIGHGWKCNOTK-UHFFFAOYSA-N 1 0 329.360 1.605 20 5 EDBDRO CC[N@@H+]1CCC[C@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000063863561 441359163 /nfs/dbraw/zinc/35/91/63/441359163.db2.gz XWHJLRDPWKFAMH-LLVKDONJSA-N 1 0 342.421 1.386 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000064305649 441370991 /nfs/dbraw/zinc/37/09/91/441370991.db2.gz ZZOSPDZVSYNTMQ-UHFFFAOYSA-N 1 0 346.387 1.538 20 5 EDBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cc(=O)n(C)c(=O)n1C ZINC000064350129 441375571 /nfs/dbraw/zinc/37/55/71/441375571.db2.gz ODCUGQJKKPDXHH-UHFFFAOYSA-N 1 0 346.387 1.403 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000107689279 441425693 /nfs/dbraw/zinc/42/56/93/441425693.db2.gz OTWQAEKZUCKHQG-LBPRGKRZSA-N 1 0 337.376 1.900 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000065756514 441482105 /nfs/dbraw/zinc/48/21/05/441482105.db2.gz ZNCSGGWYSUMTSE-UHFFFAOYSA-N 1 0 349.435 1.824 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000030375376 441492016 /nfs/dbraw/zinc/49/20/16/441492016.db2.gz GJYGDFGDDPJAIU-GFCCVEGCSA-N 1 0 329.422 1.912 20 5 EDBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000029455288 441460159 /nfs/dbraw/zinc/46/01/59/441460159.db2.gz OFRBCPZNCPVFAT-UHFFFAOYSA-N 1 0 327.406 1.700 20 5 EDBDRO CC(C)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000066602249 441550851 /nfs/dbraw/zinc/55/08/51/441550851.db2.gz UIFJGARCNFMEON-UHFFFAOYSA-N 1 0 349.387 1.780 20 5 EDBDRO Nc1cc(N)[nH+]c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000031818585 441539654 /nfs/dbraw/zinc/53/96/54/441539654.db2.gz XLKFIRUIRYXHLD-UHFFFAOYSA-N 1 0 345.344 1.892 20 5 EDBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000109706001 441502903 /nfs/dbraw/zinc/50/29/03/441502903.db2.gz KSFCPHDDQYENBQ-UHFFFAOYSA-N 1 0 331.394 1.399 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067148660 441611430 /nfs/dbraw/zinc/61/14/30/441611430.db2.gz AQFXHDPKBIGVMO-LLVKDONJSA-N 1 0 335.360 1.580 20 5 EDBDRO C[NH+](C)C1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067136789 441608949 /nfs/dbraw/zinc/60/89/49/441608949.db2.gz UATAZBJSKQGCLZ-UHFFFAOYSA-N 1 0 344.375 1.342 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000041604116 441662817 /nfs/dbraw/zinc/66/28/17/441662817.db2.gz MRSUZYDRCKGHHO-GFCCVEGCSA-N 1 0 336.392 1.688 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000173365373 441725589 /nfs/dbraw/zinc/72/55/89/441725589.db2.gz MYIRQWOHLNXPNJ-AAEUAGOBSA-N 1 0 337.405 1.488 20 5 EDBDRO C[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC000173719273 441828487 /nfs/dbraw/zinc/82/84/87/441828487.db2.gz OJXLCOJJLKADQY-AWEZNQCLSA-N 1 0 334.420 1.137 20 5 EDBDRO CCOC(=O)C1(C)CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000092823468 441830333 /nfs/dbraw/zinc/83/03/33/441830333.db2.gz UMJFEYYIPSNAKS-UHFFFAOYSA-N 1 0 337.376 1.422 20 5 EDBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@H]1CCC[C@@H]1O ZINC000159800592 441838278 /nfs/dbraw/zinc/83/82/78/441838278.db2.gz OEALTXWCTRCLAU-DOMZBBRYSA-N 1 0 349.387 1.986 20 5 EDBDRO C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000119113247 441917144 /nfs/dbraw/zinc/91/71/44/441917144.db2.gz RULFRRUARXNFJY-BXKDBHETSA-N 1 0 327.768 1.697 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1C ZINC000069129394 441896479 /nfs/dbraw/zinc/89/64/79/441896479.db2.gz INEZTFHRKFZFIN-LLVKDONJSA-N 1 0 341.433 1.973 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1C ZINC000125112835 441986391 /nfs/dbraw/zinc/98/63/91/441986391.db2.gz ACKQVNOHJRJQKX-RYUDHWBXSA-N 1 0 327.406 1.760 20 5 EDBDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000126018188 442069700 /nfs/dbraw/zinc/06/97/00/442069700.db2.gz QNSLKXCHMHXVON-UHFFFAOYSA-N 1 0 336.392 1.889 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126611117 442126980 /nfs/dbraw/zinc/12/69/80/442126980.db2.gz MZIXIQAVGKEUBS-XJKSGUPXSA-N 1 0 347.419 1.657 20 5 EDBDRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000164808145 442202964 /nfs/dbraw/zinc/20/29/64/442202964.db2.gz AMVSHZNRDMFRFN-LBPRGKRZSA-N 1 0 349.343 1.741 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176298964 442206870 /nfs/dbraw/zinc/20/68/70/442206870.db2.gz FIKHQUKZLJZSAC-NSHDSACASA-N 1 0 340.811 1.614 20 5 EDBDRO C[NH+](C)C1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000127575013 442213051 /nfs/dbraw/zinc/21/30/51/442213051.db2.gz ILZHLMYQMNGBGA-UHFFFAOYSA-N 1 0 327.406 1.451 20 5 EDBDRO CNC(=O)[C@H](C)C[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000176379688 442216370 /nfs/dbraw/zinc/21/63/70/442216370.db2.gz LBLSZLAOYHNYHJ-LLVKDONJSA-N 1 0 336.392 1.546 20 5 EDBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@@H]1CCSC1 ZINC000153702028 442297605 /nfs/dbraw/zinc/29/76/05/442297605.db2.gz LZORXMCHLNTCEH-OAHLLOKOSA-N 1 0 335.429 1.917 20 5 EDBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000171504980 442353302 /nfs/dbraw/zinc/35/33/02/442353302.db2.gz CSKVRARKVITSCR-LLVKDONJSA-N 1 0 343.405 1.366 20 5 EDBDRO COCCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000171126298 442316890 /nfs/dbraw/zinc/31/68/90/442316890.db2.gz HHPTXDMBQYZDLT-UHFFFAOYSA-N 1 0 327.406 1.887 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000171628767 442364256 /nfs/dbraw/zinc/36/42/56/442364256.db2.gz RUXBDJMPGAPJFQ-LLVKDONJSA-N 1 0 327.406 1.651 20 5 EDBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000156652787 442506654 /nfs/dbraw/zinc/50/66/54/442506654.db2.gz NGFYDFANJXEXMI-JSGCOSHPSA-N 1 0 343.387 1.579 20 5 EDBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC([NH+](C)C)C1 ZINC000134943679 442538685 /nfs/dbraw/zinc/53/86/85/442538685.db2.gz QGBRWIAISJPYGP-UHFFFAOYSA-N 1 0 339.417 1.719 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000186339187 442514715 /nfs/dbraw/zinc/51/47/15/442514715.db2.gz SFUKUCFCHPHZRP-ZQHYZAEZSA-N 1 0 346.431 1.750 20 5 EDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000186709724 442598378 /nfs/dbraw/zinc/59/83/78/442598378.db2.gz CEODWIXKUPCESX-NEPJUHHUSA-N 1 0 347.419 1.955 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000193199161 442722083 /nfs/dbraw/zinc/72/20/83/442722083.db2.gz KGYPSXLYCPGZDD-UHFFFAOYSA-N 1 0 329.422 1.769 20 5 EDBDRO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000188220832 442726116 /nfs/dbraw/zinc/72/61/16/442726116.db2.gz YNVVMOHVGCFASN-JTQLQIEISA-N 1 0 335.451 1.911 20 5 EDBDRO NC(=O)C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000182036502 442730511 /nfs/dbraw/zinc/73/05/11/442730511.db2.gz KUOZYLQVECLKRU-CQSZACIVSA-N 1 0 348.403 1.608 20 5 EDBDRO C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182864539 442838878 /nfs/dbraw/zinc/83/88/78/442838878.db2.gz URHBCGCJFXXQJJ-NEPJUHHUSA-N 1 0 335.408 1.711 20 5 EDBDRO COc1ccccc1C[C@@H](C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247458477 442854442 /nfs/dbraw/zinc/85/44/42/442854442.db2.gz ICOSXBBTRRNDOB-CZUORRHYSA-N 1 0 348.403 1.724 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000248621370 442909390 /nfs/dbraw/zinc/90/93/90/442909390.db2.gz NADXHIMAQXUXJI-WCFLWFBJSA-N 1 0 349.387 1.811 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC2=CC[NH2+]CC2)cc1C ZINC000189295379 442914705 /nfs/dbraw/zinc/91/47/05/442914705.db2.gz XTTDLRJIWTYHPU-UHFFFAOYSA-N 1 0 325.390 1.410 20 5 EDBDRO C[NH+]1CCN(CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265811473 442930286 /nfs/dbraw/zinc/93/02/86/442930286.db2.gz PGUNXQGZXIZNSR-UHFFFAOYSA-N 1 0 334.420 1.236 20 5 EDBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000194702801 442939310 /nfs/dbraw/zinc/93/93/10/442939310.db2.gz BREBZBWRDJYZKD-CQSZACIVSA-N 1 0 334.420 1.659 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000194806928 442956314 /nfs/dbraw/zinc/95/63/14/442956314.db2.gz BTJINWLHWFERFE-CQSZACIVSA-N 1 0 333.388 1.698 20 5 EDBDRO COc1cc(C(=O)N[C@H](C)CC[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000265917225 442968068 /nfs/dbraw/zinc/96/80/68/442968068.db2.gz AUWVSTKSBBTTBT-SNVBAGLBSA-N 1 0 325.365 1.682 20 5 EDBDRO CN(C)C(=O)CC[NH+]1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000268468449 442999536 /nfs/dbraw/zinc/99/95/36/442999536.db2.gz LYSKKPWQMNLRDZ-UHFFFAOYSA-N 1 0 334.420 1.233 20 5 EDBDRO C[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1[NH+](C)C ZINC000266203012 443056346 /nfs/dbraw/zinc/05/63/46/443056346.db2.gz OTNWSWSKTLHEAB-ZUZCIYMTSA-N 1 0 344.371 1.871 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297606696 318771325 /nfs/dbraw/zinc/77/13/25/318771325.db2.gz NXLVLEYNOAFQKW-ZDUSSCGKSA-N 1 0 338.408 1.875 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000184969853 443108282 /nfs/dbraw/zinc/10/82/82/443108282.db2.gz NADXHIMAQXUXJI-RAIGVLPGSA-N 1 0 349.387 1.811 20 5 EDBDRO COC[C@@]1(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CCC[NH2+]1 ZINC000261913484 443173930 /nfs/dbraw/zinc/17/39/30/443173930.db2.gz QNUOPFBUSGNDER-AWEZNQCLSA-N 1 0 343.405 1.179 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1C ZINC000262340063 443191265 /nfs/dbraw/zinc/19/12/65/443191265.db2.gz UGNGFJZOFHXHJS-NEPJUHHUSA-N 1 0 327.406 1.569 20 5 EDBDRO CCN(C)C(=O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000185185401 443156134 /nfs/dbraw/zinc/15/61/34/443156134.db2.gz XYBBQYVSODPYAW-UHFFFAOYSA-N 1 0 331.376 1.563 20 5 EDBDRO CCS(=O)(=O)N1CC(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000190668915 443159962 /nfs/dbraw/zinc/15/99/62/443159962.db2.gz PCUINZDTFXMTCL-GFCCVEGCSA-N 1 0 341.433 1.835 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237145180 443161314 /nfs/dbraw/zinc/16/13/14/443161314.db2.gz GFQVUQFYDXXPOU-AWEZNQCLSA-N 1 0 329.360 1.605 20 5 EDBDRO C[C@@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000262480953 443197730 /nfs/dbraw/zinc/19/77/30/443197730.db2.gz JYPLFOQHLIMZFY-MNOVXSKESA-N 1 0 327.406 1.562 20 5 EDBDRO CNS(=O)(=O)c1ccc(N(CC[NH+](C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000185441251 443200408 /nfs/dbraw/zinc/20/04/08/443200408.db2.gz WMBXNHCYTHEVNH-UHFFFAOYSA-N 1 0 344.437 1.279 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000262770470 443211536 /nfs/dbraw/zinc/21/15/36/443211536.db2.gz VKDBIVFLVGYTGS-BXUZGUMPSA-N 1 0 327.406 1.794 20 5 EDBDRO CC[N@H+](CCNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C1CC1 ZINC000411863194 319208162 /nfs/dbraw/zinc/20/81/62/319208162.db2.gz BSZKTWFMKUGCDK-UHFFFAOYSA-N 1 0 339.367 1.886 20 5 EDBDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]1C ZINC000414075953 319315783 /nfs/dbraw/zinc/31/57/83/319315783.db2.gz OHOSTQWOUZDISH-GLQYFDAESA-N 1 0 341.433 1.897 20 5 EDBDRO COc1cc(CN[C@H]2C[NH2+]CCC2(F)F)c([N+](=O)[O-])cc1OC ZINC000415003273 319345007 /nfs/dbraw/zinc/34/50/07/319345007.db2.gz ORDKYRNIYRUFED-ZDUSSCGKSA-N 1 0 331.319 1.699 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415893702 319382528 /nfs/dbraw/zinc/38/25/28/319382528.db2.gz NRKLYLUNWPOLFI-QWHCGFSZSA-N 1 0 346.387 1.218 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000272451649 443322636 /nfs/dbraw/zinc/32/26/36/443322636.db2.gz JVIZHUDNFWYQQE-IUODEOHRSA-N 1 0 341.433 1.349 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000418794053 319512478 /nfs/dbraw/zinc/51/24/78/319512478.db2.gz QRLRRWCTSJJNLS-YPMHNXCESA-N 1 0 334.376 1.626 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000282607174 443387562 /nfs/dbraw/zinc/38/75/62/443387562.db2.gz YNZBQAIUAIDIKM-CRAIPNDOSA-N 1 0 349.431 1.672 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000264620378 443349642 /nfs/dbraw/zinc/34/96/42/443349642.db2.gz NMQMVMQVDVJQRA-LBPRGKRZSA-N 1 0 343.405 1.318 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000419172141 319566486 /nfs/dbraw/zinc/56/64/86/319566486.db2.gz UJTPRWUXOHWTDV-CABCVRRESA-N 1 0 348.403 1.502 20 5 EDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000264634459 443355662 /nfs/dbraw/zinc/35/56/62/443355662.db2.gz DJNPWTCRCNZYLY-AWEZNQCLSA-N 1 0 349.387 1.986 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420315133 319609173 /nfs/dbraw/zinc/60/91/73/319609173.db2.gz WKHULGCBCPKAQF-UWVGGRQHSA-N 1 0 326.784 1.856 20 5 EDBDRO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000420439203 319619933 /nfs/dbraw/zinc/61/99/33/319619933.db2.gz MILPDDPWRFTOOP-BQBZGAKWSA-N 1 0 341.311 1.628 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000420439651 319620292 /nfs/dbraw/zinc/62/02/92/319620292.db2.gz BLLGQLNYKBHTFW-OLZOCXBDSA-N 1 0 341.433 1.960 20 5 EDBDRO C[C@H]1CN2CCC[C@H]2CN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000272844816 443464466 /nfs/dbraw/zinc/46/44/66/443464466.db2.gz NNQGIGNPCLPXPT-UWVGGRQHSA-N 1 0 345.446 1.733 20 5 EDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000423503210 319779558 /nfs/dbraw/zinc/77/95/58/319779558.db2.gz FSZTXJYGEQZMNO-AWEZNQCLSA-N 1 0 348.403 1.234 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N[C@H](C)CCCC[NH3+])ccc1[N+](=O)[O-] ZINC000423652364 319798097 /nfs/dbraw/zinc/79/80/97/319798097.db2.gz TWFWYWZQYGBVJL-GFCCVEGCSA-N 1 0 336.392 1.267 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000273146130 443550083 /nfs/dbraw/zinc/55/00/83/443550083.db2.gz XYLTVUJGAMQQAA-GFCCVEGCSA-N 1 0 337.376 1.188 20 5 EDBDRO C[N@H+](CCO)C1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000272332165 443594563 /nfs/dbraw/zinc/59/45/63/443594563.db2.gz LTLJBZYWZPUXTJ-UHFFFAOYSA-N 1 0 341.795 1.777 20 5 EDBDRO CC1(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000434775179 320003412 /nfs/dbraw/zinc/00/34/12/320003412.db2.gz KEFSJGHKUNFWNI-UHFFFAOYSA-N 1 0 327.406 1.653 20 5 EDBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435244166 320013455 /nfs/dbraw/zinc/01/34/55/320013455.db2.gz BYOXOUOFQVFDGR-MRXNPFEDSA-N 1 0 341.371 1.747 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(CN(C3CC3)[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000435242638 320013681 /nfs/dbraw/zinc/01/36/81/320013681.db2.gz MNZVBIIQMFQHLM-CQSZACIVSA-N 1 0 329.360 1.971 20 5 EDBDRO COc1cc(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000440834839 320081997 /nfs/dbraw/zinc/08/19/97/320081997.db2.gz PRUYPBWRWFZJMB-AWEZNQCLSA-N 1 0 343.405 1.271 20 5 EDBDRO C[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448861302 320163045 /nfs/dbraw/zinc/16/30/45/320163045.db2.gz SMJKDGMQUAIYKT-UHFFFAOYSA-N 1 0 343.387 1.852 20 5 EDBDRO CC(C)[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000449193303 320177796 /nfs/dbraw/zinc/17/77/96/320177796.db2.gz ZZMOSNVHBCIVOU-RHSMWYFYSA-N 1 0 349.431 1.999 20 5 EDBDRO CCN1C[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000449519950 320193920 /nfs/dbraw/zinc/19/39/20/320193920.db2.gz RJYSLKRCDMGSIC-AAEUAGOBSA-N 1 0 334.376 1.522 20 5 EDBDRO COc1nccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000453262501 320261456 /nfs/dbraw/zinc/26/14/56/320261456.db2.gz SRBOPKARBUKZSH-CHWSQXEVSA-N 1 0 332.364 1.863 20 5 EDBDRO COC(=O)c1cc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000457092921 320319321 /nfs/dbraw/zinc/31/93/21/320319321.db2.gz XORUAQBZFXKDIO-AWEZNQCLSA-N 1 0 349.387 1.936 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000457139368 320320186 /nfs/dbraw/zinc/32/01/86/320320186.db2.gz YFJJGZBSBUSDNN-CQSZACIVSA-N 1 0 334.420 1.972 20 5 EDBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491562587 320372271 /nfs/dbraw/zinc/37/22/71/320372271.db2.gz ODKDCTOYKWWMPA-WUKHSURWSA-N 1 0 346.387 1.064 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000516781188 320441291 /nfs/dbraw/zinc/44/12/91/320441291.db2.gz CAFJVYRHDGGKRN-CMPLNLGQSA-N 1 0 327.406 1.658 20 5 EDBDRO Cc1cccc(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000518366155 320456024 /nfs/dbraw/zinc/45/60/24/320456024.db2.gz UZXWVJDIXTVYHV-OAHLLOKOSA-N 1 0 331.372 1.870 20 5 EDBDRO COC(=O)[C@@H]1CN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000280727131 443742725 /nfs/dbraw/zinc/74/27/25/443742725.db2.gz KSEOWWIOAXSTPW-MWLCHTKSSA-N 1 0 326.324 1.983 20 5 EDBDRO CCN1CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)[C@H](C)C1 ZINC000288241499 443817241 /nfs/dbraw/zinc/81/72/41/443817241.db2.gz DTNGJWUFRFGIKD-LLVKDONJSA-N 1 0 338.383 1.966 20 5 EDBDRO COc1cc(C(=O)NC2(C[NH+](C)C)CCC2)c([N+](=O)[O-])cc1F ZINC000298625072 443821521 /nfs/dbraw/zinc/82/15/21/443821521.db2.gz LZHZCTLQNMUOCK-UHFFFAOYSA-N 1 0 325.340 1.957 20 5 EDBDRO COc1ccc(OCC[N@H+]2C[C@@H](OC)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000276779328 443823833 /nfs/dbraw/zinc/82/38/33/443823833.db2.gz AGPNPKSIPHWFBP-GASCZTMLSA-N 1 0 326.349 1.328 20 5 EDBDRO COC(=O)c1cnc(NC[C@@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000276799311 443831670 /nfs/dbraw/zinc/83/16/70/443831670.db2.gz QQAQCCWBCLPNNB-AWEZNQCLSA-N 1 0 340.405 1.626 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000298878009 443890980 /nfs/dbraw/zinc/89/09/80/443890980.db2.gz XHRSHHUZFBAITM-UHFFFAOYSA-N 1 0 339.392 1.448 20 5 EDBDRO CC1CC[NH+](CCN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000532899833 320679807 /nfs/dbraw/zinc/67/98/07/320679807.db2.gz WXSPYVDMAMJMKA-UHFFFAOYSA-N 1 0 333.436 1.844 20 5 EDBDRO C[NH+](C)CC(C)(C)CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000298783405 443867530 /nfs/dbraw/zinc/86/75/30/443867530.db2.gz AKPBLIGVZINLGG-UHFFFAOYSA-N 1 0 336.392 1.029 20 5 EDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000537718213 320737848 /nfs/dbraw/zinc/73/78/48/320737848.db2.gz KKRKMDDZUBVMSS-LLVKDONJSA-N 1 0 329.422 1.787 20 5 EDBDRO C[N@@H+]1CCC[C@]2(CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])C2)C1 ZINC000293115132 443928071 /nfs/dbraw/zinc/92/80/71/443928071.db2.gz YRNQDBJSRRCAEU-KRWDZBQOSA-N 1 0 332.404 1.951 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000299234289 443990764 /nfs/dbraw/zinc/99/07/64/443990764.db2.gz JPGDHHMDCAZVFB-WCQYABFASA-N 1 0 346.387 1.583 20 5 EDBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299409139 444038615 /nfs/dbraw/zinc/03/86/15/444038615.db2.gz OGQARSUEHCVZEI-NEPJUHHUSA-N 1 0 343.380 1.639 20 5 EDBDRO Cc1[nH]c2ccccc2c1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000562988202 321085587 /nfs/dbraw/zinc/08/55/87/321085587.db2.gz UUTKUBSBBQIXPL-AWEZNQCLSA-N 1 0 343.387 1.774 20 5 EDBDRO Cc1nc(CC[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])no1 ZINC000299585574 444086501 /nfs/dbraw/zinc/08/65/01/444086501.db2.gz JJPPKKQTIKBMTD-UHFFFAOYSA-N 1 0 333.348 1.789 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000564967922 321160919 /nfs/dbraw/zinc/16/09/19/321160919.db2.gz WECPRYABXPQPMU-CMPLNLGQSA-N 1 0 327.406 1.515 20 5 EDBDRO CCS(=O)(=O)C[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567581436 321246424 /nfs/dbraw/zinc/24/64/24/321246424.db2.gz CHOMJYMXHZSUFA-LLVKDONJSA-N 1 0 343.405 1.336 20 5 EDBDRO COc1cc(OCC(=O)N2CCC3(CC[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC000567842148 321261963 /nfs/dbraw/zinc/26/19/63/321261963.db2.gz AIWLNOZQARREGU-UHFFFAOYSA-N 1 0 335.360 1.337 20 5 EDBDRO O=C(CC[NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12)Nc1ccccc1[N+](=O)[O-] ZINC000568742038 321303954 /nfs/dbraw/zinc/30/39/54/321303954.db2.gz DXAYZUXBVLVZHI-KGLIPLIRSA-N 1 0 346.387 1.666 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCC[C@H]2CCCC[C@@H]2O)c1 ZINC000570212530 321341272 /nfs/dbraw/zinc/34/12/72/321341272.db2.gz PIAXPQYXXAJGFB-YUELXQCFSA-N 1 0 326.397 1.073 20 5 EDBDRO Cn1ccnc1[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000571587365 321393245 /nfs/dbraw/zinc/39/32/45/321393245.db2.gz PUFZIOCEXKEDDB-UONOGXRCSA-N 1 0 346.387 1.558 20 5 EDBDRO Cc1ccc(NCCCNC(=O)C[C@@H]2COCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000285794017 444110167 /nfs/dbraw/zinc/11/01/67/444110167.db2.gz PEYQOOAYMCPYHK-CYBMUJFWSA-N 1 0 336.392 1.200 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000289840178 444210001 /nfs/dbraw/zinc/21/00/01/444210001.db2.gz PQAIDAYPQFAFJZ-CQSZACIVSA-N 1 0 335.408 1.525 20 5 EDBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@@H+]1CCO ZINC000302390963 444212544 /nfs/dbraw/zinc/21/25/44/444212544.db2.gz IIPIOFPDBHSLSR-JTQLQIEISA-N 1 0 331.319 1.699 20 5 EDBDRO COc1cc(F)c([N+](=O)[O-])c(NCC2CC[NH+](CCO)CC2)c1 ZINC000301448563 444172433 /nfs/dbraw/zinc/17/24/33/444172433.db2.gz RITXEFQOIGRHKO-UHFFFAOYSA-N 1 0 327.356 1.859 20 5 EDBDRO [NH3+]CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C(F)(F)F ZINC000575748584 321525601 /nfs/dbraw/zinc/52/56/01/321525601.db2.gz FZWCQFMPSFBXGU-JTQLQIEISA-N 1 0 349.265 1.376 20 5 EDBDRO CC[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000575954680 321535920 /nfs/dbraw/zinc/53/59/20/321535920.db2.gz WDBMOJOEWFBZTD-NSHDSACASA-N 1 0 342.421 1.163 20 5 EDBDRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000295521547 444188007 /nfs/dbraw/zinc/18/80/07/444188007.db2.gz QOWBZMALXAVHIW-ZDUSSCGKSA-N 1 0 346.387 1.653 20 5 EDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301897042 444195657 /nfs/dbraw/zinc/19/56/57/444195657.db2.gz QUZVJYOUYPYNCH-GFCCVEGCSA-N 1 0 341.433 1.776 20 5 EDBDRO CC1(C)[C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]2CCO[C@@H]21 ZINC000296105443 444204895 /nfs/dbraw/zinc/20/48/95/444204895.db2.gz IBEDRWGNTFFQGR-XYPHTWIQSA-N 1 0 345.399 1.887 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c(C)cc1[N+](=O)[O-] ZINC000576598813 321580818 /nfs/dbraw/zinc/58/08/18/321580818.db2.gz AJNYWGDTVCGZAP-GXTWGEPZSA-N 1 0 339.417 1.584 20 5 EDBDRO CCCc1n[nH]c(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000290213258 444255124 /nfs/dbraw/zinc/25/51/24/444255124.db2.gz SHJCHTMQJNHBTB-LBPRGKRZSA-N 1 0 335.408 1.732 20 5 EDBDRO Cc1ccc([C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000577172364 321629261 /nfs/dbraw/zinc/62/92/61/321629261.db2.gz REKINDABTDVNTI-SJORKVTESA-N 1 0 347.419 1.353 20 5 EDBDRO CC(C)[C@@H]([NH3+])CCN(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000316595591 444311052 /nfs/dbraw/zinc/31/10/52/444311052.db2.gz GLWMGULACJTIDL-LBPRGKRZSA-N 1 0 329.422 1.808 20 5 EDBDRO CC[C@H]1CN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000317565385 444316349 /nfs/dbraw/zinc/31/63/49/444316349.db2.gz KWTMZVUVEJYWFV-NWDGAFQWSA-N 1 0 327.406 1.651 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H](C)OC ZINC000290481911 444286413 /nfs/dbraw/zinc/28/64/13/444286413.db2.gz HHKGCJQFKMNSQG-OUAUKWLOSA-N 1 0 325.365 1.943 20 5 EDBDRO CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000297864864 444343387 /nfs/dbraw/zinc/34/33/87/444343387.db2.gz METMOHHSHNERMZ-UHFFFAOYSA-N 1 0 334.376 1.442 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000323533500 444343498 /nfs/dbraw/zinc/34/34/98/444343498.db2.gz MGBTXMCUMZLTFP-UHFFFAOYSA-N 1 0 339.417 1.749 20 5 EDBDRO COc1cc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c([N+](=O)[O-])cc1OC ZINC000324788282 444358477 /nfs/dbraw/zinc/35/84/77/444358477.db2.gz IYCAMYXOXAEHSR-GWCFXTLKSA-N 1 0 337.376 1.811 20 5 EDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000326303840 444373669 /nfs/dbraw/zinc/37/36/69/444373669.db2.gz AEQZFAQSCCZBKD-YIEVGGLXSA-N 1 0 330.388 1.114 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000331136397 444411230 /nfs/dbraw/zinc/41/12/30/444411230.db2.gz RYZWUKWWGGWSSD-CYBMUJFWSA-N 1 0 341.433 1.784 20 5 EDBDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000580555155 322066522 /nfs/dbraw/zinc/06/65/22/322066522.db2.gz GZGKKGDTSDRLNT-JSGCOSHPSA-N 1 0 346.387 1.735 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]1c1ncc[nH]1 ZINC000343722745 444546401 /nfs/dbraw/zinc/54/64/01/444546401.db2.gz MQHQVRDCCRGUON-OCCSQVGLSA-N 1 0 332.360 1.895 20 5 EDBDRO CCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(C)C1=O ZINC000338332329 444638600 /nfs/dbraw/zinc/63/86/00/444638600.db2.gz KLESISSOZNGEJL-CQSZACIVSA-N 1 0 335.360 1.443 20 5 EDBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000342576914 444752034 /nfs/dbraw/zinc/75/20/34/444752034.db2.gz BAVUEWVTJRBRFN-UHFFFAOYSA-N 1 0 328.166 1.969 20 5 EDBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1(OCCO)CCOCC1 ZINC000337238779 444999499 /nfs/dbraw/zinc/99/94/99/444999499.db2.gz AJUHKGQVBNOXBR-HYXAFXHYSA-N 1 0 336.388 1.756 20 5 EDBDRO NC(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000339134920 445049801 /nfs/dbraw/zinc/04/98/01/445049801.db2.gz AHOBMVYUXRUOLA-GXTWGEPZSA-N 1 0 337.376 1.064 20 5 EDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000344793691 445143287 /nfs/dbraw/zinc/14/32/87/445143287.db2.gz OVLGCALQMWYVLG-QINSGFPZSA-N 1 0 346.431 1.752 20 5 EDBDRO Cc1nn(C)c(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346174327 445207300 /nfs/dbraw/zinc/20/73/00/445207300.db2.gz YDVPZCLERFKSHE-NTZNESFSSA-N 1 0 335.408 1.439 20 5 EDBDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000343414089 445218184 /nfs/dbraw/zinc/21/81/84/445218184.db2.gz XGGUKGAUASDYQR-WBMJQRKESA-N 1 0 332.360 1.957 20 5 EDBDRO C[C@@H]1[C@@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343483377 445231495 /nfs/dbraw/zinc/23/14/95/445231495.db2.gz DRFZTRLVBUGIHE-OCCSQVGLSA-N 1 0 343.387 1.993 20 5 EDBDRO COCC[C@@H](CO)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343549854 445242258 /nfs/dbraw/zinc/24/22/58/445242258.db2.gz MANITTUFCULGIC-YPMHNXCESA-N 1 0 325.365 1.299 20 5 EDBDRO CNc1c(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000348589987 445334302 /nfs/dbraw/zinc/33/43/02/445334302.db2.gz VPVNSFNJWXLIOH-UONOGXRCSA-N 1 0 334.376 1.182 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@]2(CO)CCOC2)cccc1[N+](=O)[O-] ZINC000359833842 445452295 /nfs/dbraw/zinc/45/22/95/445452295.db2.gz NHBCEWHUFKMVJU-MRXNPFEDSA-N 1 0 337.376 1.315 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H]1Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000362675434 445494152 /nfs/dbraw/zinc/49/41/52/445494152.db2.gz SAZZVYGBGZLTBR-RKDXNWHRSA-N 1 0 333.435 1.954 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1csc([N+](=O)[O-])c1 ZINC000362797010 445553413 /nfs/dbraw/zinc/55/34/13/445553413.db2.gz LRHNHNBYQLCCGI-UPJWGTAASA-N 1 0 339.417 1.980 20 5 EDBDRO CC(C)[NH+](CCN(C)C(=O)NCCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000355962724 445547734 /nfs/dbraw/zinc/54/77/34/445547734.db2.gz ODFDSJXUNMORKD-UHFFFAOYSA-N 1 0 340.428 1.552 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000360285336 445676537 /nfs/dbraw/zinc/67/65/37/445676537.db2.gz KEKGMEJHTDHEHF-OCCSQVGLSA-N 1 0 348.403 1.118 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000363098963 445677525 /nfs/dbraw/zinc/67/75/25/445677525.db2.gz INBGWDMACKDDOQ-MNOVXSKESA-N 1 0 329.360 1.828 20 5 EDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])nn1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000356258789 445704060 /nfs/dbraw/zinc/70/40/60/445704060.db2.gz SMDXMBMGSSZNNE-ABAIWWIYSA-N 1 0 331.376 1.750 20 5 EDBDRO COc1cc(C(=O)N[C@@H](C)CC[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000349965993 445736999 /nfs/dbraw/zinc/73/69/99/445736999.db2.gz RRCIYBMCUVLLDI-ZETCQYMHSA-N 1 0 333.291 1.672 20 5 EDBDRO Cc1nn(C)c(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1[N+](=O)[O-] ZINC000363258331 445744190 /nfs/dbraw/zinc/74/41/90/445744190.db2.gz FQHIRTKAKVPNAN-AVGNSLFASA-N 1 0 333.392 1.193 20 5 EDBDRO CCc1nc(CN2CCCN(C(=O)[C@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC000363491524 445828076 /nfs/dbraw/zinc/82/80/76/445828076.db2.gz XBXRYNJBNSCDML-QWHCGFSZSA-N 1 0 338.433 1.405 20 5 EDBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])nn3C)C2)CC1 ZINC000356454731 445799010 /nfs/dbraw/zinc/79/90/10/445799010.db2.gz IVCUJUVBZCDZEX-CQSZACIVSA-N 1 0 349.435 1.912 20 5 EDBDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000363540769 445850300 /nfs/dbraw/zinc/85/03/00/445850300.db2.gz AYTQWLIBJODGCN-JHJVBQTASA-N 1 0 337.376 1.807 20 5 EDBDRO COc1cc(CCNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)c([N+](=O)[O-])cc1OC ZINC000364563249 445932587 /nfs/dbraw/zinc/93/25/87/445932587.db2.gz SEDYQHNEPFJFLA-YVEFUNNKSA-N 1 0 349.387 1.270 20 5 EDBDRO Cc1cc(OCC(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000369175582 445971273 /nfs/dbraw/zinc/97/12/73/445971273.db2.gz WVEISVKAIDYZOD-CJNGLKHVSA-N 1 0 333.388 1.835 20 5 EDBDRO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000351143066 445999672 /nfs/dbraw/zinc/99/96/72/445999672.db2.gz RHLFTRUFSBOYKV-NSHDSACASA-N 1 0 338.339 1.273 20 5 EDBDRO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351137973 445997338 /nfs/dbraw/zinc/99/73/38/445997338.db2.gz DYSIWDBUJMYJMI-JTQLQIEISA-N 1 0 340.355 1.519 20 5 EDBDRO Cc1cccc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000369279251 446044675 /nfs/dbraw/zinc/04/46/75/446044675.db2.gz WBGNHVNUBOLHNU-AWEZNQCLSA-N 1 0 346.431 1.802 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc([N+](=O)[O-])c1F ZINC000373129576 446049756 /nfs/dbraw/zinc/04/97/56/446049756.db2.gz ZSQASUOEPYGXEI-MNOVXSKESA-N 1 0 343.380 1.557 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc3ncccc3c2)c1 ZINC000584049036 326189737 /nfs/dbraw/zinc/18/97/37/326189737.db2.gz VBZKHBLAQAAQMR-OAHLLOKOSA-N 1 0 327.344 1.490 20 5 EDBDRO Cc1c(Br)c(N2C[C@H]3C[NH2+]C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000165832472 533707874 /nfs/dbraw/zinc/70/78/74/533707874.db2.gz JGLIIQWRXUMNKZ-RKDXNWHRSA-N 1 0 327.182 1.716 20 5 EDBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000351521241 446123972 /nfs/dbraw/zinc/12/39/72/446123972.db2.gz ZQIJLOAJGGUAAM-ZDUSSCGKSA-N 1 0 348.334 1.145 20 5 EDBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)C1 ZINC000365353341 446164425 /nfs/dbraw/zinc/16/44/25/446164425.db2.gz JRVHBOFFNLVFCP-ZDUSSCGKSA-N 1 0 338.433 1.508 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000366358463 446172736 /nfs/dbraw/zinc/17/27/36/446172736.db2.gz RUWSHYUIBJUQOI-DGCLKSJQSA-N 1 0 325.390 1.276 20 5 EDBDRO C[NH+]1CCC(n2ccc(NC(=O)c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000373292819 446147170 /nfs/dbraw/zinc/14/71/70/446147170.db2.gz QOSRFSDCDJJDAQ-UHFFFAOYSA-N 1 0 329.360 2.310 20 5 EDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000354444140 446207321 /nfs/dbraw/zinc/20/73/21/446207321.db2.gz XOIHAJAQGLIEGE-GXTWGEPZSA-N 1 0 337.424 1.821 20 5 EDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000366463579 446224436 /nfs/dbraw/zinc/22/44/36/446224436.db2.gz ROODPDSRIWGZTP-QWRGUYRKSA-N 1 0 333.323 1.210 20 5 EDBDRO COc1cc(C(=O)N[C@H]2CC23CC[NH2+]CC3)c([N+](=O)[O-])cc1OC ZINC000366467669 446226105 /nfs/dbraw/zinc/22/61/05/446226105.db2.gz COMBYEUKSYBJME-AWEZNQCLSA-N 1 0 335.360 1.484 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365550765 446251136 /nfs/dbraw/zinc/25/11/36/446251136.db2.gz KLZIAHPAHHMKHI-RCBQFDQVSA-N 1 0 330.388 1.855 20 5 EDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000362284072 446304277 /nfs/dbraw/zinc/30/42/77/446304277.db2.gz QNDJBABFVWPBAY-UHFFFAOYSA-N 1 0 341.371 1.954 20 5 EDBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCN(c2ccccn2)CC1 ZINC000365885424 446387648 /nfs/dbraw/zinc/38/76/48/446387648.db2.gz PPYXBFTYCXMCOB-UHFFFAOYSA-N 1 0 330.392 1.787 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000366865894 446388485 /nfs/dbraw/zinc/38/84/85/446388485.db2.gz FCHVDPBIGVLYPE-OAGGEKHMSA-N 1 0 336.388 1.965 20 5 EDBDRO COC[C@@]1(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000420258530 446437334 /nfs/dbraw/zinc/43/73/34/446437334.db2.gz XWNIREGGFGDDLD-LBPRGKRZSA-N 1 0 349.434 1.240 20 5 EDBDRO COc1cc(N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(F)cc1[N+](=O)[O-] ZINC000420263077 446438948 /nfs/dbraw/zinc/43/89/48/446438948.db2.gz BMEVPJMWTVVZJR-LLVKDONJSA-N 1 0 339.367 1.934 20 5 EDBDRO C[C@@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420277346 446446688 /nfs/dbraw/zinc/44/66/88/446446688.db2.gz HWDTVLSMDRUTLA-BDAKNGLRSA-N 1 0 333.435 1.481 20 5 EDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCC[C@@H]1CCC[NH2+]1 ZINC000420278355 446447070 /nfs/dbraw/zinc/44/70/70/446447070.db2.gz IZRCEIFYUQWGSV-NSHDSACASA-N 1 0 327.406 1.942 20 5 EDBDRO C[C@@H](NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1[N+](=O)[O-] ZINC000417977780 446405865 /nfs/dbraw/zinc/40/58/65/446405865.db2.gz HNNMZVLMAREQOD-ZIAGYGMSSA-N 1 0 347.419 1.345 20 5 EDBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417988926 446409250 /nfs/dbraw/zinc/40/92/50/446409250.db2.gz KONGBOPVTRIHIO-TXEJJXNPSA-N 1 0 338.795 1.652 20 5 EDBDRO O=C(NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000370760780 446421320 /nfs/dbraw/zinc/42/13/20/446421320.db2.gz TTYHORFWRQNWKA-GDBMZVCRSA-N 1 0 333.388 1.826 20 5 EDBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000420292545 446455628 /nfs/dbraw/zinc/45/56/28/446455628.db2.gz WSNUTXQFLIONMR-YPMHNXCESA-N 1 0 349.416 1.932 20 5 EDBDRO C[C@@H]1CCCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000420295314 446458115 /nfs/dbraw/zinc/45/81/15/446458115.db2.gz VFQOGDPQRZDUDE-DOMZBBRYSA-N 1 0 341.433 1.428 20 5 EDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420301711 446464490 /nfs/dbraw/zinc/46/44/90/446464490.db2.gz AVKSJBGUYLSRLH-NWDGAFQWSA-N 1 0 327.406 1.051 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000411311358 446485351 /nfs/dbraw/zinc/48/53/51/446485351.db2.gz MNHBDPMIWTYKCC-CYBMUJFWSA-N 1 0 332.360 1.148 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000376454208 446507043 /nfs/dbraw/zinc/50/70/43/446507043.db2.gz JXDMYHXSBWYBMS-KOLCDFICSA-N 1 0 345.808 1.621 20 5 EDBDRO O=C(N[C@H]1CCCC[NH2+]C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418367615 446517085 /nfs/dbraw/zinc/51/70/85/446517085.db2.gz KVYLRIJXAXFTCR-LBPRGKRZSA-N 1 0 334.376 1.510 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000376481966 446524655 /nfs/dbraw/zinc/52/46/55/446524655.db2.gz ORQZHHDCPFVGKJ-QWHCGFSZSA-N 1 0 346.387 1.585 20 5 EDBDRO COc1ccc(NC(=O)CN[C@@H]2CC[NH2+]CC2(C)C)c([N+](=O)[O-])c1 ZINC000420357509 446537326 /nfs/dbraw/zinc/53/73/26/446537326.db2.gz DQZHBMWHDGWYCU-CQSZACIVSA-N 1 0 336.392 1.520 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]21 ZINC000375042849 446537391 /nfs/dbraw/zinc/53/73/91/446537391.db2.gz SUSHAKGHMCVKHL-XOKHGSTOSA-N 1 0 344.415 1.726 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418600472 446610558 /nfs/dbraw/zinc/61/05/58/446610558.db2.gz SNSKIOZTEGNCHK-RISCZKNCSA-N 1 0 334.376 1.497 20 5 EDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c1 ZINC000420440350 446615112 /nfs/dbraw/zinc/61/51/12/446615112.db2.gz HAPITERLFPKZOQ-CYBMUJFWSA-N 1 0 327.406 1.546 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000420401060 446574446 /nfs/dbraw/zinc/57/44/46/446574446.db2.gz GCXXNPROHWEZTN-CYBMUJFWSA-N 1 0 341.433 1.399 20 5 EDBDRO [NH3+]CCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420403078 446577083 /nfs/dbraw/zinc/57/70/83/446577083.db2.gz KELQZWCSVFENSI-UHFFFAOYSA-N 1 0 327.284 1.241 20 5 EDBDRO C[C@@]1(C(N)=O)CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411527413 446584538 /nfs/dbraw/zinc/58/45/38/446584538.db2.gz PZSRDDGHXJKGLA-INIZCTEOSA-N 1 0 334.376 1.653 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)c1 ZINC000420411324 446584864 /nfs/dbraw/zinc/58/48/64/446584864.db2.gz BMOSVNORUIAPSZ-CYBMUJFWSA-N 1 0 341.433 1.880 20 5 EDBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000420424557 446598831 /nfs/dbraw/zinc/59/88/31/446598831.db2.gz QDRJYZCCLVSKMA-ZFWWWQNUSA-N 1 0 339.417 1.151 20 5 EDBDRO CCN1CCN(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)C1=O ZINC000371064693 446605651 /nfs/dbraw/zinc/60/56/51/446605651.db2.gz PVOHIPANRXUTDE-UHFFFAOYSA-N 1 0 336.396 1.013 20 5 EDBDRO C[C@H](CCCC[NH3+])NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418684729 446647361 /nfs/dbraw/zinc/64/73/61/446647361.db2.gz BEKXSJFYQDQIDZ-CQSZACIVSA-N 1 0 349.435 1.944 20 5 EDBDRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418757729 446677376 /nfs/dbraw/zinc/67/73/76/446677376.db2.gz DYIYRNPJLOUXGO-ZBFHGGJFSA-N 1 0 348.403 1.472 20 5 EDBDRO CN(C1(C[NH3+])CCC1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420449962 446625650 /nfs/dbraw/zinc/62/56/50/446625650.db2.gz UDSLCIMMZBKSSJ-UHFFFAOYSA-N 1 0 327.406 1.280 20 5 EDBDRO CCCN(C(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000423661560 446630898 /nfs/dbraw/zinc/63/08/98/446630898.db2.gz LVQNVTJWKDUIKJ-AWEZNQCLSA-N 1 0 348.403 1.154 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000423665579 446632142 /nfs/dbraw/zinc/63/21/42/446632142.db2.gz JJJFKAMZWYUVBA-WCABBAIRSA-N 1 0 327.768 1.964 20 5 EDBDRO C[NH+](C)C1CCC(Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000420634146 446712657 /nfs/dbraw/zinc/71/26/57/446712657.db2.gz ZJBAEXGDBNRRNW-UHFFFAOYSA-N 1 0 331.376 2.528 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437851583 446765758 /nfs/dbraw/zinc/76/57/58/446765758.db2.gz LFAGXYLWOAMGGD-CYBMUJFWSA-N 1 0 335.408 1.855 20 5 EDBDRO Cn1ccnc1[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000371317806 446769840 /nfs/dbraw/zinc/76/98/40/446769840.db2.gz DUZBZCKOGUGXBS-LLVKDONJSA-N 1 0 336.373 1.507 20 5 EDBDRO CC(C)COC[C@@H](O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375402611 446776739 /nfs/dbraw/zinc/77/67/39/446776739.db2.gz KCCPZHHSANXVIW-HIFRSBDPSA-N 1 0 326.397 1.462 20 5 EDBDRO CN(CC(=O)N1C[C@@H]([NH3+])Cc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000424076337 446841536 /nfs/dbraw/zinc/84/15/36/446841536.db2.gz NCTBXTHIHHFARZ-AWEZNQCLSA-N 1 0 340.383 1.948 20 5 EDBDRO Cn1cc([C@@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@H]2[NH3+])cn1 ZINC000424414239 446870739 /nfs/dbraw/zinc/87/07/39/446870739.db2.gz QLKBNSVYNJCANX-JKSUJKDBSA-N 1 0 338.371 1.808 20 5 EDBDRO C[NH+]1CCC(O)(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412148550 446879332 /nfs/dbraw/zinc/87/93/32/446879332.db2.gz UPHVJOLUBBJCEC-LSDHHAIUSA-N 1 0 333.388 1.271 20 5 EDBDRO CNc1nc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000454983339 447019103 /nfs/dbraw/zinc/01/91/03/447019103.db2.gz AVAVICSPVWMTEN-RYUDHWBXSA-N 1 0 335.408 1.882 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2(C3CC3)CCOCC2)c1 ZINC000375701671 446986388 /nfs/dbraw/zinc/98/63/88/446986388.db2.gz OZETXUSATDQRMY-HNNXBMFYSA-N 1 0 336.388 1.883 20 5 EDBDRO O=C(C[N@H+]1CCC[C@@H](CCO)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000421025869 446997725 /nfs/dbraw/zinc/99/77/25/446997725.db2.gz ZHKWYDYTPOAGTF-CQSZACIVSA-N 1 0 347.415 1.968 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@](O)(Cc3ccc(F)cc3)C2)c1 ZINC000421031732 447001615 /nfs/dbraw/zinc/00/16/15/447001615.db2.gz YIQZFIYMBOAFBS-MRXNPFEDSA-N 1 0 334.351 1.610 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CNc4ccnn4C3)CC2)cn1 ZINC000619265353 450437948 /nfs/dbraw/zinc/43/79/48/450437948.db2.gz PTVFLTBSYRCIKY-CYBMUJFWSA-N 1 0 343.391 1.050 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000455158340 447066496 /nfs/dbraw/zinc/06/64/96/447066496.db2.gz FJDJUHOIFUBSLR-CQSZACIVSA-N 1 0 336.392 1.872 20 5 EDBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000455338016 447112192 /nfs/dbraw/zinc/11/21/92/447112192.db2.gz RYYVUZJGMFNKIM-ZDUSSCGKSA-N 1 0 340.355 1.702 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000375818126 447077435 /nfs/dbraw/zinc/07/74/35/447077435.db2.gz VVFJSSFYTBRLSU-HUUCEWRRSA-N 1 0 332.404 1.752 20 5 EDBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H]2CNc3ccnn3C2)CC1 ZINC000619264235 450438403 /nfs/dbraw/zinc/43/84/03/450438403.db2.gz CPQMJVMCOPWLLU-CQSZACIVSA-N 1 0 342.403 1.655 20 5 EDBDRO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000444187856 447092272 /nfs/dbraw/zinc/09/22/72/447092272.db2.gz DHFRZYCWSGVSES-FUHWJXTLSA-N 1 0 345.399 1.964 20 5 EDBDRO COC(=O)c1cc(C)nc(NCCCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000413349650 447157745 /nfs/dbraw/zinc/15/77/45/447157745.db2.gz SSALDUDQNQZMIW-UHFFFAOYSA-N 1 0 336.392 2.371 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000377532643 447187129 /nfs/dbraw/zinc/18/71/29/447187129.db2.gz ZJXUVRMMNNNFAD-HNNXBMFYSA-N 1 0 349.435 1.824 20 5 EDBDRO CCC(=O)N1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000425516960 447207138 /nfs/dbraw/zinc/20/71/38/447207138.db2.gz KCWUTSFQNXUGCJ-UHFFFAOYSA-N 1 0 348.359 1.405 20 5 EDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000421704777 447224841 /nfs/dbraw/zinc/22/48/41/447224841.db2.gz PUDGKUXPOHAJEZ-NSHDSACASA-N 1 0 335.360 1.532 20 5 EDBDRO COc1cc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c([N+](=O)[O-])cc1F ZINC000368966608 447229822 /nfs/dbraw/zinc/22/98/22/447229822.db2.gz PPPCUPYZLIXGLM-ZVWUFJHRSA-N 1 0 337.351 1.828 20 5 EDBDRO CC(C)([NH3+])CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415463903 447455717 /nfs/dbraw/zinc/45/57/17/447455717.db2.gz KSVMDCCOUISMJD-UHFFFAOYSA-N 1 0 336.392 1.684 20 5 EDBDRO Cc1nn(CCC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000457119172 447524855 /nfs/dbraw/zinc/52/48/55/447524855.db2.gz NFESVAXICJDYCR-AWEZNQCLSA-N 1 0 337.424 1.739 20 5 EDBDRO COC(=O)COc1ccc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000427121841 447548071 /nfs/dbraw/zinc/54/80/71/447548071.db2.gz MGHXCMMTGHQWSH-UONOGXRCSA-N 1 0 349.387 1.330 20 5 EDBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000416305847 447565454 /nfs/dbraw/zinc/56/54/54/447565454.db2.gz JGOCBGHGXRFZHM-KBPBESRZSA-N 1 0 335.404 1.441 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000427585303 447617754 /nfs/dbraw/zinc/61/77/54/447617754.db2.gz FOXZLPVSRDUCRH-ABAIWWIYSA-N 1 0 343.387 1.723 20 5 EDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCC[C@H]2CCC[NH2+]C2)s1 ZINC000420207011 447670640 /nfs/dbraw/zinc/67/06/40/447670640.db2.gz QEZGDAJDGMVGGB-SECBINFHSA-N 1 0 333.435 1.861 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420232072 447680333 /nfs/dbraw/zinc/68/03/33/447680333.db2.gz LEKSOQOMHSBGKS-HIFRSBDPSA-N 1 0 334.420 1.601 20 5 EDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000429130414 447729713 /nfs/dbraw/zinc/72/97/13/447729713.db2.gz HFCLNZKSOSBJHC-JQWIXIFHSA-N 1 0 335.360 1.152 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000429140467 447730016 /nfs/dbraw/zinc/73/00/16/447730016.db2.gz HHLGOZZBFLVCIF-ABAIWWIYSA-N 1 0 343.387 1.805 20 5 EDBDRO C[C@H](CCCc1cccnc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000459646204 447730372 /nfs/dbraw/zinc/73/03/72/447730372.db2.gz RRJXZWCLUCVWPV-CZUORRHYSA-N 1 0 333.392 1.548 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000422841453 447766335 /nfs/dbraw/zinc/76/63/35/447766335.db2.gz DBKFZEOWPKXWLN-QWRGUYRKSA-N 1 0 335.360 1.581 20 5 EDBDRO Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)ccc1C[NH+](C)C ZINC000458296420 447763148 /nfs/dbraw/zinc/76/31/48/447763148.db2.gz XOLINIZCTMHKLD-UHFFFAOYSA-N 1 0 344.371 1.765 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000422841452 447766467 /nfs/dbraw/zinc/76/64/67/447766467.db2.gz DBKFZEOWPKXWLN-MNOVXSKESA-N 1 0 335.360 1.581 20 5 EDBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H](C)C1 ZINC000488747886 447850288 /nfs/dbraw/zinc/85/02/88/447850288.db2.gz FZZLGNWLJRKFLN-RWMBFGLXSA-N 1 0 330.392 1.804 20 5 EDBDRO C[C@@H](C[C@H]1CCCO1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569650471 447857854 /nfs/dbraw/zinc/85/78/54/447857854.db2.gz LCQDZOOJPLVDRC-GXTWGEPZSA-N 1 0 342.417 1.916 20 5 EDBDRO CC(C)[C@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC[N@@H+]1C ZINC000487120323 447827802 /nfs/dbraw/zinc/82/78/02/447827802.db2.gz VXDKRMYUZACOAH-CYBMUJFWSA-N 1 0 342.421 1.019 20 5 EDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1cncn1C ZINC000530407385 447878765 /nfs/dbraw/zinc/87/87/65/447878765.db2.gz DWLIZKUKFVBDAW-LBPRGKRZSA-N 1 0 331.376 1.878 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000523352830 447881680 /nfs/dbraw/zinc/88/16/80/447881680.db2.gz DZUYCDCUCXFOET-GFCCVEGCSA-N 1 0 349.387 1.826 20 5 EDBDRO CNc1nccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000569986709 447931170 /nfs/dbraw/zinc/93/11/70/447931170.db2.gz FOOOFGWWNIYINE-NEPJUHHUSA-N 1 0 333.392 1.730 20 5 EDBDRO CNc1nccc(C(=O)Nc2cccc3c2CN(C)C3)c1[N+](=O)[O-] ZINC000576121937 447979641 /nfs/dbraw/zinc/97/96/41/447979641.db2.gz RGRJCLQNUYQDHV-UHFFFAOYSA-N 1 0 327.344 2.229 20 5 EDBDRO COc1cc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000525804795 448028903 /nfs/dbraw/zinc/02/89/03/448028903.db2.gz RDDAAJQLXSHHBF-NSHDSACASA-N 1 0 337.376 1.684 20 5 EDBDRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000526920548 448117456 /nfs/dbraw/zinc/11/74/56/448117456.db2.gz DDOQLAHVODCHRP-SNVBAGLBSA-N 1 0 338.339 1.130 20 5 EDBDRO CNc1nccc(C(=O)NCC[C@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000571415621 448151085 /nfs/dbraw/zinc/15/10/85/448151085.db2.gz CDAHGKIMXFGTFI-LBPRGKRZSA-N 1 0 335.408 2.026 20 5 EDBDRO CC(C)[N@H+](C)C[C@@H](O)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000571582469 448174900 /nfs/dbraw/zinc/17/49/00/448174900.db2.gz RWBGBSIIZLSMMV-OAHLLOKOSA-N 1 0 346.387 1.520 20 5 EDBDRO COc1ccc(CC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000532080069 448197522 /nfs/dbraw/zinc/19/75/22/448197522.db2.gz INCKKQKTSRUXNZ-RISCZKNCSA-N 1 0 333.388 1.745 20 5 EDBDRO C[C@@H]1CC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000571809763 448209889 /nfs/dbraw/zinc/20/98/89/448209889.db2.gz ZUGYIORPSUEVID-VXGBXAGGSA-N 1 0 342.417 1.914 20 5 EDBDRO CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000515432477 448312963 /nfs/dbraw/zinc/31/29/63/448312963.db2.gz FJMDZSVWSMXWBF-GWCFXTLKSA-N 1 0 325.390 1.206 20 5 EDBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@H]3CC[NH2+][C@H]3C2)cccc1[N+](=O)[O-] ZINC000591449585 448368490 /nfs/dbraw/zinc/36/84/90/448368490.db2.gz XFLAZQUIORHCPP-GUTXKFCHSA-N 1 0 332.404 1.914 20 5 EDBDRO CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1(C[NH3+])CCC1 ZINC000516760874 448469884 /nfs/dbraw/zinc/46/98/84/448469884.db2.gz CXVISXOYSVFECI-UHFFFAOYSA-N 1 0 329.360 1.734 20 5 EDBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000516502065 448429589 /nfs/dbraw/zinc/42/95/89/448429589.db2.gz NFNPZVZMYOWGSW-NWDGAFQWSA-N 1 0 333.344 1.680 20 5 EDBDRO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000516768914 448470353 /nfs/dbraw/zinc/47/03/53/448470353.db2.gz GCPBFXTWPOAAEQ-OAHLLOKOSA-N 1 0 347.396 1.842 20 5 EDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000591686221 448451097 /nfs/dbraw/zinc/45/10/97/448451097.db2.gz UXVFVWNTHZLXSL-RYUDHWBXSA-N 1 0 333.323 1.210 20 5 EDBDRO CNc1nccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000566440334 448471725 /nfs/dbraw/zinc/47/17/25/448471725.db2.gz DTRPUMZXFYLQQV-DGCLKSJQSA-N 1 0 333.392 1.588 20 5 EDBDRO CNc1nccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000583943542 448467013 /nfs/dbraw/zinc/46/70/13/448467013.db2.gz MWSKBZIKPYKSDW-NWDGAFQWSA-N 1 0 335.408 2.024 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCN(CC3CC3)C2)c1 ZINC000591735086 448476304 /nfs/dbraw/zinc/47/63/04/448476304.db2.gz QHKRTLAJDRMNIE-GDBMZVCRSA-N 1 0 335.404 1.408 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCN(C3CCCC3)C2)c1 ZINC000591734004 448476686 /nfs/dbraw/zinc/47/66/86/448476686.db2.gz UHSWPXXFQVXFDX-YOEHRIQHSA-N 1 0 349.431 1.941 20 5 EDBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1ccccc1 ZINC000591742493 448479510 /nfs/dbraw/zinc/47/95/10/448479510.db2.gz POOQYXONEJHJJO-CQSZACIVSA-N 1 0 334.376 1.599 20 5 EDBDRO CO[C@H]([C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000591770437 448486955 /nfs/dbraw/zinc/48/69/55/448486955.db2.gz HCMGBIJCSPBWDA-IAQYHMDHSA-N 1 0 342.417 1.772 20 5 EDBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000517019998 448525078 /nfs/dbraw/zinc/52/50/78/448525078.db2.gz LDRJPCQBRBHQGT-ZDUSSCGKSA-N 1 0 334.376 1.041 20 5 EDBDRO CC(C)Oc1nc(N[C@H](C)CN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000578522676 448570196 /nfs/dbraw/zinc/57/01/96/448570196.db2.gz SSCFPVTZHFBJKB-CYBMUJFWSA-N 1 0 337.424 1.825 20 5 EDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000591982999 448610340 /nfs/dbraw/zinc/61/03/40/448610340.db2.gz SQXBLWSHIHHPJR-LBPRGKRZSA-N 1 0 343.387 1.699 20 5 EDBDRO C[C@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000567219769 448639816 /nfs/dbraw/zinc/63/98/16/448639816.db2.gz UVVMWVOXHUUYCZ-LBPRGKRZSA-N 1 0 329.360 1.664 20 5 EDBDRO C[C@@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000567219768 448640453 /nfs/dbraw/zinc/64/04/53/448640453.db2.gz UVVMWVOXHUUYCZ-GFCCVEGCSA-N 1 0 329.360 1.664 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC12CCOCC2 ZINC000518532097 448690185 /nfs/dbraw/zinc/69/01/85/448690185.db2.gz VFCWHASDSRNOJY-LLVKDONJSA-N 1 0 337.351 1.561 20 5 EDBDRO C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N(C)c1ccccc1 ZINC000573834115 448725859 /nfs/dbraw/zinc/72/58/59/448725859.db2.gz MFPCIDBCWPXEGV-CJNGLKHVSA-N 1 0 333.392 1.267 20 5 EDBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000592368075 448808150 /nfs/dbraw/zinc/80/81/50/448808150.db2.gz GNPKLKXIHRGSCU-CYBMUJFWSA-N 1 0 341.433 1.920 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000592367555 448808190 /nfs/dbraw/zinc/80/81/90/448808190.db2.gz SXIRLGLWLLBYIH-LBPRGKRZSA-N 1 0 327.406 1.632 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000592370510 448809317 /nfs/dbraw/zinc/80/93/17/448809317.db2.gz JEGDBCYJDBJGJB-QWRGUYRKSA-N 1 0 343.405 1.351 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+]CC2(C)C)c1C ZINC000592372595 448810386 /nfs/dbraw/zinc/81/03/86/448810386.db2.gz BBPZOKJOWFDQLE-UHFFFAOYSA-N 1 0 327.406 1.584 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000592293108 448776522 /nfs/dbraw/zinc/77/65/22/448776522.db2.gz RSWGJUXLUCOHJQ-VXGBXAGGSA-N 1 0 338.412 1.086 20 5 EDBDRO C[C@H](O)CNc1cc(NCCOc2ccc([N+](=O)[O-])cc2)ncn1 ZINC000579447348 448793562 /nfs/dbraw/zinc/79/35/62/448793562.db2.gz IPHXIEUUDUWCIR-NSHDSACASA-N 1 0 333.348 1.668 20 5 EDBDRO CC[C@H]1CN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592332040 448795850 /nfs/dbraw/zinc/79/58/50/448795850.db2.gz SLZFDUJEOMPYJL-HZMBPMFUSA-N 1 0 335.360 1.581 20 5 EDBDRO C[C@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000592341107 448798715 /nfs/dbraw/zinc/79/87/15/448798715.db2.gz QFHGYPSJCWHSML-WCQYABFASA-N 1 0 344.375 1.232 20 5 EDBDRO CN(CC[N@H+](C)C1CC1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000546038461 448816918 /nfs/dbraw/zinc/81/69/18/448816918.db2.gz OXMINZIBGDAKSF-UHFFFAOYSA-N 1 0 336.392 1.709 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000592428478 448831710 /nfs/dbraw/zinc/83/17/10/448831710.db2.gz QHRRKEITSVHTOS-ZJUUUORDSA-N 1 0 338.364 1.174 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2ccc(CO)cc2)c1 ZINC000592430097 448831882 /nfs/dbraw/zinc/83/18/82/448831882.db2.gz BVMDPUXDCQLQTL-QGZVFWFLSA-N 1 0 346.383 1.659 20 5 EDBDRO [NH3+]C[C@H]1CCCn2ncc(C(=O)NCc3ccccc3[N+](=O)[O-])c21 ZINC000592484200 448855914 /nfs/dbraw/zinc/85/59/14/448855914.db2.gz MVFAPEMTIHIUOW-LLVKDONJSA-N 1 0 329.360 1.557 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@]1(C)CO ZINC000579925975 448909942 /nfs/dbraw/zinc/90/99/42/448909942.db2.gz AMMKKSJKKPSUKN-MRXNPFEDSA-N 1 0 337.376 1.779 20 5 EDBDRO NC(=O)C[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000588976267 448957119 /nfs/dbraw/zinc/95/71/19/448957119.db2.gz NKQQHPQUYHFRQY-SNVBAGLBSA-N 1 0 331.332 1.342 20 5 EDBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000521267684 448968341 /nfs/dbraw/zinc/96/83/41/448968341.db2.gz WIHCPGGBBPKQNC-NWDGAFQWSA-N 1 0 327.768 1.936 20 5 EDBDRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000574739506 448943878 /nfs/dbraw/zinc/94/38/78/448943878.db2.gz IPRRFYDWMKICNB-UHFFFAOYSA-N 1 0 326.328 1.177 20 5 EDBDRO CCCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@@H]1CC[N@H+](C)C1 ZINC000592832590 449008775 /nfs/dbraw/zinc/00/87/75/449008775.db2.gz UFXOZLYDTCZMFK-CQSZACIVSA-N 1 0 337.424 1.741 20 5 EDBDRO CCc1ccc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000592874078 449030945 /nfs/dbraw/zinc/03/09/45/449030945.db2.gz RDKLZKMQLWYCOU-GFCCVEGCSA-N 1 0 348.403 1.349 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000590011580 449097084 /nfs/dbraw/zinc/09/70/84/449097084.db2.gz JZTJXDHDWCLDCE-DOMZBBRYSA-N 1 0 348.403 1.568 20 5 EDBDRO COCC[C@@]1([NH2+]Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CCOC1 ZINC000593026931 449106521 /nfs/dbraw/zinc/10/65/21/449106521.db2.gz HMAXMDKCHZMQMP-MRXNPFEDSA-N 1 0 338.360 1.667 20 5 EDBDRO C[C@@H]1CC[C@@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[NH2+]1 ZINC000599920276 449109062 /nfs/dbraw/zinc/10/90/62/449109062.db2.gz ZYKXNBJNLGSPHX-NXEZZACHSA-N 1 0 332.364 1.411 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590443032 449164300 /nfs/dbraw/zinc/16/43/00/449164300.db2.gz JMJKCTABIYPGRU-WMLDXEAASA-N 1 0 344.415 1.971 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1OC ZINC000590445040 449166057 /nfs/dbraw/zinc/16/60/57/449166057.db2.gz PQJGPLQORINZNY-SMDDNHRTSA-N 1 0 349.387 1.778 20 5 EDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@H]21 ZINC000600000527 449144229 /nfs/dbraw/zinc/14/42/29/449144229.db2.gz XLDNGWZARKJILK-HALDLXJZSA-N 1 0 328.372 1.637 20 5 EDBDRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000590401480 449148548 /nfs/dbraw/zinc/14/85/48/449148548.db2.gz KYHXBNGAPJMXKC-HOTGVXAUSA-N 1 0 333.388 1.459 20 5 EDBDRO CC(C)c1n[nH]c(C(=O)NCCN(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597990225 449174620 /nfs/dbraw/zinc/17/46/20/449174620.db2.gz SEVMVXYYSKVPPR-UHFFFAOYSA-N 1 0 340.428 1.055 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000604265812 449198869 /nfs/dbraw/zinc/19/88/69/449198869.db2.gz WFEAMUKWTREUFA-UHFFFAOYSA-N 1 0 346.387 1.804 20 5 EDBDRO COc1ccc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000595867498 449218959 /nfs/dbraw/zinc/21/89/59/449218959.db2.gz NJSNNZCCHJNDOU-OAHLLOKOSA-N 1 0 335.404 1.634 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@@H](C[NH3+])C(F)(F)F ZINC000595908747 449245753 /nfs/dbraw/zinc/24/57/53/449245753.db2.gz PUBLKLUCAZKMGN-JTQLQIEISA-N 1 0 334.298 1.663 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000595924260 449256825 /nfs/dbraw/zinc/25/68/25/449256825.db2.gz JQUFTOMLJVKEIA-LBPRGKRZSA-N 1 0 330.348 1.753 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000595929869 449260090 /nfs/dbraw/zinc/26/00/90/449260090.db2.gz ZOZFBNGMCIXAJR-LBPRGKRZSA-N 1 0 329.360 1.367 20 5 EDBDRO Cc1ccc([C@@H](C)[NH2+]CCCN2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000611335566 449265458 /nfs/dbraw/zinc/26/54/58/449265458.db2.gz JKXGAUNMFUHJPF-CYBMUJFWSA-N 1 0 341.433 1.979 20 5 EDBDRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000593920511 449288509 /nfs/dbraw/zinc/28/85/09/449288509.db2.gz KLCXXLZIGPGHER-WCQYABFASA-N 1 0 327.406 1.279 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593911930 449281092 /nfs/dbraw/zinc/28/10/92/449281092.db2.gz JSXHEEKQTFGIAL-HUBLWGQQSA-N 1 0 348.403 1.536 20 5 EDBDRO CCO[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593916947 449284933 /nfs/dbraw/zinc/28/49/33/449284933.db2.gz RWIGFMGGFQHQFD-MLGOLLRUSA-N 1 0 348.403 1.605 20 5 EDBDRO CCOC(=O)CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000594055199 449340660 /nfs/dbraw/zinc/34/06/60/449340660.db2.gz XKVPUUHTFHOAMD-UHFFFAOYSA-N 1 0 337.376 1.857 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000611540020 449329229 /nfs/dbraw/zinc/32/92/29/449329229.db2.gz VJSKMQDGUABLKO-UHFFFAOYSA-N 1 0 337.424 1.657 20 5 EDBDRO C[NH+]1CCC([C@H]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)CC1 ZINC000596173911 449396237 /nfs/dbraw/zinc/39/62/37/449396237.db2.gz BVVBUIMWUAPWAQ-ZDUSSCGKSA-N 1 0 332.404 1.862 20 5 EDBDRO C[C@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602166074 449397636 /nfs/dbraw/zinc/39/76/36/449397636.db2.gz WGCAWJDHWXEQQM-BBRMVZONSA-N 1 0 335.404 1.661 20 5 EDBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000600534593 449428417 /nfs/dbraw/zinc/42/84/17/449428417.db2.gz OQTHBUSEBBFXPA-SNVBAGLBSA-N 1 0 347.293 1.410 20 5 EDBDRO CC[N@H+](CC(=O)N[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000600540431 449432965 /nfs/dbraw/zinc/43/29/65/449432965.db2.gz HTXHTTWUXQGKSS-KRWDZBQOSA-N 1 0 349.387 1.584 20 5 EDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000602151906 449386718 /nfs/dbraw/zinc/38/67/18/449386718.db2.gz RNVVAWIFLBWVDF-UHFFFAOYSA-N 1 0 349.431 1.954 20 5 EDBDRO CC[NH+]1CCN(CCNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611703396 449387987 /nfs/dbraw/zinc/38/79/87/449387987.db2.gz RZYSGIAVTXYGRL-UHFFFAOYSA-N 1 0 330.392 1.587 20 5 EDBDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000598536326 449451452 /nfs/dbraw/zinc/45/14/52/449451452.db2.gz RRGKILOVGKIOPV-ZDUSSCGKSA-N 1 0 336.392 1.638 20 5 EDBDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000598535918 449451496 /nfs/dbraw/zinc/45/14/96/449451496.db2.gz LFIBXYAXLAAFAW-NSHDSACASA-N 1 0 337.380 1.033 20 5 EDBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000594359190 449466442 /nfs/dbraw/zinc/46/64/42/449466442.db2.gz WWGJGJBHZMLLMO-RYUDHWBXSA-N 1 0 327.768 1.304 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000596307385 449468028 /nfs/dbraw/zinc/46/80/28/449468028.db2.gz LQABDOYYMFJITL-SNVBAGLBSA-N 1 0 342.421 1.527 20 5 EDBDRO O=[N+]([O-])c1ccc(CNCc2cn([C@H]3CC[NH2+]C3)nn2)c(Cl)c1 ZINC000600680842 449487979 /nfs/dbraw/zinc/48/79/79/449487979.db2.gz CZCKPTLNDKCEHH-ZDUSSCGKSA-N 1 0 336.783 1.664 20 5 EDBDRO CCCN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000598663586 449525842 /nfs/dbraw/zinc/52/58/42/449525842.db2.gz DRONJJOXSGSQJY-AWEZNQCLSA-N 1 0 349.391 1.317 20 5 EDBDRO CC(C)(CCC[NH3+])NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598666175 449528836 /nfs/dbraw/zinc/52/88/36/449528836.db2.gz USOKSARNELFGQY-UHFFFAOYSA-N 1 0 337.380 1.350 20 5 EDBDRO [NH3+][C@]12CCC[C@H]1CN(Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C2 ZINC000598680739 449538263 /nfs/dbraw/zinc/53/82/63/449538263.db2.gz CKLHEEHAXYCXSS-LRDDRELGSA-N 1 0 329.360 1.958 20 5 EDBDRO Cc1cc([N+](=O)[O-])cnc1NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000596423287 449495393 /nfs/dbraw/zinc/49/53/93/449495393.db2.gz KSGSPZPXJZOFOX-KRWDZBQOSA-N 1 0 342.399 2.477 20 5 EDBDRO COCc1n[nH]c(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)n1 ZINC000596436200 449502794 /nfs/dbraw/zinc/50/27/94/449502794.db2.gz MTRJHGASOXZZTF-UHFFFAOYSA-N 1 0 328.332 1.750 20 5 EDBDRO Cn1ccnc1[C@H](NCC1([NH3+])CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000600706051 449507027 /nfs/dbraw/zinc/50/70/27/449507027.db2.gz CGWYWQAAYJFUMI-OAHLLOKOSA-N 1 0 345.403 1.515 20 5 EDBDRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C2 ZINC000598725772 449565682 /nfs/dbraw/zinc/56/56/82/449565682.db2.gz PGMSILSCTGRHIH-GXTWGEPZSA-N 1 0 325.390 1.238 20 5 EDBDRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000598725747 449565730 /nfs/dbraw/zinc/56/57/30/449565730.db2.gz OZTDFXKJCIPVBC-ZFWWWQNUSA-N 1 0 339.417 1.280 20 5 EDBDRO CC(C)Oc1nc(NC[C@H](O)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000594544732 449569946 /nfs/dbraw/zinc/56/99/46/449569946.db2.gz DTPUPBGNPWCQCW-ZDUSSCGKSA-N 1 0 338.408 2.036 20 5 EDBDRO CN(C(=O)c1c(Br)cccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000602428216 449578731 /nfs/dbraw/zinc/57/87/31/449578731.db2.gz HTKUYJDACZAWMG-MRVPVSSYSA-N 1 0 328.166 1.791 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598713787 449559229 /nfs/dbraw/zinc/55/92/29/449559229.db2.gz DCENKEHNADLDAO-VXGBXAGGSA-N 1 0 327.406 1.617 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC2([NH3+])CCCC2)c(C)c1[N+](=O)[O-] ZINC000598720673 449561866 /nfs/dbraw/zinc/56/18/66/449561866.db2.gz PGQAWZUZVYUVCU-UHFFFAOYSA-N 1 0 327.406 1.761 20 5 EDBDRO C[NH+]1CCN(CCn2cc(COc3ccccc3[N+](=O)[O-])nn2)CC1 ZINC000594643218 449602960 /nfs/dbraw/zinc/60/29/60/449602960.db2.gz FAQOSEDEJZQANI-UHFFFAOYSA-N 1 0 346.391 1.013 20 5 EDBDRO O=C(NCc1cn([C@@H]2CCC[NH2+]C2)nn1)Nc1ccccc1[N+](=O)[O-] ZINC000594656425 449611313 /nfs/dbraw/zinc/61/13/13/449611313.db2.gz UMKFXSVWFZBDNK-GFCCVEGCSA-N 1 0 345.363 1.433 20 5 EDBDRO C[NH2+]CCOCCN(C)c1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000600954236 449615010 /nfs/dbraw/zinc/61/50/10/449615010.db2.gz UKENQSNKLLKRDL-UHFFFAOYSA-N 1 0 325.365 1.362 20 5 EDBDRO C[NH+](C)CCn1cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000601011113 449653228 /nfs/dbraw/zinc/65/32/28/449653228.db2.gz SFCHGHGTVUPLSP-UHFFFAOYSA-N 1 0 331.376 1.325 20 5 EDBDRO C[C@@H]1CCC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000594731962 449655659 /nfs/dbraw/zinc/65/56/59/449655659.db2.gz HQXCVZIEGUZEPD-OCCSQVGLSA-N 1 0 342.417 1.916 20 5 EDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCN2CCCS2(=O)=O)cc1 ZINC000602543941 449665574 /nfs/dbraw/zinc/66/55/74/449665574.db2.gz MZHCKFUXWBRIRO-UHFFFAOYSA-N 1 0 327.406 1.153 20 5 EDBDRO COCCOC[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602568585 449679499 /nfs/dbraw/zinc/67/94/99/449679499.db2.gz PBUPPZRDQJIVMF-CYBMUJFWSA-N 1 0 338.408 1.600 20 5 EDBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H]1CN(C)CCO1 ZINC000602575487 449682978 /nfs/dbraw/zinc/68/29/78/449682978.db2.gz IJYXJTFLZJIXKP-CZUORRHYSA-N 1 0 349.435 1.267 20 5 EDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598905354 449641063 /nfs/dbraw/zinc/64/10/63/449641063.db2.gz SLTDLCDLJHUEOV-AWEZNQCLSA-N 1 0 349.391 1.269 20 5 EDBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCC[N@H+]1CC=CCC1 ZINC000598905044 449641294 /nfs/dbraw/zinc/64/12/94/449641294.db2.gz HKEABNBAQMOBGF-UHFFFAOYSA-N 1 0 347.375 1.094 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598909570 449643553 /nfs/dbraw/zinc/64/35/53/449643553.db2.gz RSEGBTPERNCNSO-VDISTLRHSA-N 1 0 349.391 1.173 20 5 EDBDRO CC(C)(C)N1CC[C@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000594718546 449644907 /nfs/dbraw/zinc/64/49/07/449644907.db2.gz SFDABPCCSQXPHK-LSDHHAIUSA-N 1 0 337.420 1.797 20 5 EDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000601140523 449711962 /nfs/dbraw/zinc/71/19/62/449711962.db2.gz XBYFVSKDVISICT-RKDXNWHRSA-N 1 0 333.314 1.878 20 5 EDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602595328 449694056 /nfs/dbraw/zinc/69/40/56/449694056.db2.gz HRLAYHADKBEETF-KOLCDFICSA-N 1 0 327.768 1.965 20 5 EDBDRO Cn1cnc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000602689454 449751369 /nfs/dbraw/zinc/75/13/69/449751369.db2.gz UOMKGBOZKQNWEM-UHFFFAOYSA-N 1 0 330.392 1.524 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCO[C@@H]3CC3(F)F)CC2)cn1 ZINC000602706774 449760699 /nfs/dbraw/zinc/76/06/99/449760699.db2.gz FBZOAJUBGQNQJX-CYBMUJFWSA-N 1 0 342.346 1.972 20 5 EDBDRO O=[N+]([O-])c1ccc2c(c1)N(S(=O)(=O)CCC[NH+]1CCCC1)CC2 ZINC000601298722 449809245 /nfs/dbraw/zinc/80/92/45/449809245.db2.gz JOEOSMFDAKKLQR-UHFFFAOYSA-N 1 0 339.417 1.773 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC([NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000601303709 449813424 /nfs/dbraw/zinc/81/34/24/449813424.db2.gz HQXPEEDSIQWJTG-UHFFFAOYSA-N 1 0 345.396 1.757 20 5 EDBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601337356 449845970 /nfs/dbraw/zinc/84/59/70/449845970.db2.gz BRUPCGFFZSFDOF-UHFFFAOYSA-N 1 0 347.462 1.975 20 5 EDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000614822748 449831711 /nfs/dbraw/zinc/83/17/11/449831711.db2.gz SQBXNFZIRNDWNQ-GFCCVEGCSA-N 1 0 345.403 1.819 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601329847 449837767 /nfs/dbraw/zinc/83/77/67/449837767.db2.gz NBQKWJYYKQXEEG-TXEJJXNPSA-N 1 0 332.360 1.329 20 5 EDBDRO O=C(CCN1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000601333119 449840942 /nfs/dbraw/zinc/84/09/42/449840942.db2.gz AKTIZQZQEQAKII-CJNGLKHVSA-N 1 0 332.404 1.997 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000602834084 449843873 /nfs/dbraw/zinc/84/38/73/449843873.db2.gz ZPJMRAOLHXWHJP-AWEZNQCLSA-N 1 0 335.408 1.336 20 5 EDBDRO CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[N@H+](C)C1 ZINC000595104804 449870987 /nfs/dbraw/zinc/87/09/87/449870987.db2.gz UYHDZMHCSJEJDV-GFCCVEGCSA-N 1 0 334.376 1.394 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000595126383 449885789 /nfs/dbraw/zinc/88/57/89/449885789.db2.gz VTQBUVVHCDLGLA-LLVKDONJSA-N 1 0 336.392 1.607 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000602843254 449849595 /nfs/dbraw/zinc/84/95/95/449849595.db2.gz FBAZGLNPBIKRGJ-CQSZACIVSA-N 1 0 335.408 1.577 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)[C@H]2CCC[NH2+]CC2)c(F)cc1[N+](=O)[O-] ZINC000601344094 449853114 /nfs/dbraw/zinc/85/31/14/449853114.db2.gz VZFUDGLRVDSJOV-NSHDSACASA-N 1 0 345.396 1.805 20 5 EDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000601422079 449940008 /nfs/dbraw/zinc/94/00/08/449940008.db2.gz OUQUCELSGFLFAP-GXSJLCMTSA-N 1 0 347.824 1.961 20 5 EDBDRO C[NH+](C)CC1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000601423590 449942351 /nfs/dbraw/zinc/94/23/51/449942351.db2.gz CZJXVYHGBLBOAJ-UHFFFAOYSA-N 1 0 333.797 1.430 20 5 EDBDRO Cn1cc(C(=O)NC[C@H]2CCCN2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000602941404 449943779 /nfs/dbraw/zinc/94/37/79/449943779.db2.gz JZYNEVMMEAYCTI-OAHLLOKOSA-N 1 0 343.387 1.723 20 5 EDBDRO Cc1cc2c(cc1[N+](=O)[O-])N(S(=O)(=O)CCC[NH+](C)C)CC2 ZINC000601384453 449901570 /nfs/dbraw/zinc/90/15/70/449901570.db2.gz CCWWBMHSRLWHCC-UHFFFAOYSA-N 1 0 327.406 1.547 20 5 EDBDRO C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000615189652 449996329 /nfs/dbraw/zinc/99/63/29/449996329.db2.gz NBTFEJUROLOKAL-LLVKDONJSA-N 1 0 334.376 1.380 20 5 EDBDRO COC(=O)[C@]1(OC)CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000599565042 450063842 /nfs/dbraw/zinc/06/38/42/450063842.db2.gz YFLGWFJZSSXYDJ-INIZCTEOSA-N 1 0 338.360 1.628 20 5 EDBDRO C[N@@H+]1CCCN(CCCNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000609619844 450071024 /nfs/dbraw/zinc/07/10/24/450071024.db2.gz LBBPFIPUKPVACA-UHFFFAOYSA-N 1 0 349.435 1.151 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000595355890 450071556 /nfs/dbraw/zinc/07/15/56/450071556.db2.gz SRBJFGSZWSPPLJ-CYBMUJFWSA-N 1 0 327.406 1.499 20 5 EDBDRO C[N@@H+]1CCCN(CCCNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000609619843 450071687 /nfs/dbraw/zinc/07/16/87/450071687.db2.gz KQLWSAWLAHNSPD-UHFFFAOYSA-N 1 0 334.420 1.281 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000609448440 450029642 /nfs/dbraw/zinc/02/96/42/450029642.db2.gz POLJYTSUBGIPEB-CYBMUJFWSA-N 1 0 325.340 1.575 20 5 EDBDRO CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000609559656 450051051 /nfs/dbraw/zinc/05/10/51/450051051.db2.gz MBJAXDVNPISMQE-ZDUSSCGKSA-N 1 0 335.408 1.163 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000599627256 450113637 /nfs/dbraw/zinc/11/36/37/450113637.db2.gz WBVQZDPXKFOJRU-INLINHOESA-N 1 0 337.376 1.943 20 5 EDBDRO COc1cc(OCC(=O)N2CCC3(C[NH+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000597573101 450116654 /nfs/dbraw/zinc/11/66/54/450116654.db2.gz ZAVFMTXJTNWMKA-UHFFFAOYSA-N 1 0 335.360 1.146 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000597573822 450118193 /nfs/dbraw/zinc/11/81/93/450118193.db2.gz JFNKIYQBLXMCOF-HNNXBMFYSA-N 1 0 325.340 1.263 20 5 EDBDRO CC(C)(C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccccc1[N+](=O)[O-] ZINC000597623637 450152827 /nfs/dbraw/zinc/15/28/27/450152827.db2.gz BWRUPXFCVMNLTO-CQSZACIVSA-N 1 0 346.431 1.379 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000610238815 450158239 /nfs/dbraw/zinc/15/82/39/450158239.db2.gz HHZSDYVFYVXJTI-KRWDZBQOSA-N 1 0 347.415 1.851 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000610240427 450158282 /nfs/dbraw/zinc/15/82/82/450158282.db2.gz HQBGISPKBFNAPM-AWEZNQCLSA-N 1 0 346.431 1.802 20 5 EDBDRO COc1c[nH+]ccc1N1CCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595465642 450161035 /nfs/dbraw/zinc/16/10/35/450161035.db2.gz DJKKVYRDLCEPAA-UHFFFAOYSA-N 1 0 333.348 1.617 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000597694214 450203159 /nfs/dbraw/zinc/20/31/59/450203159.db2.gz JYBMAEXRLMHIPI-HUUCEWRRSA-N 1 0 337.351 1.669 20 5 EDBDRO CC[N@@H+]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595536191 450215671 /nfs/dbraw/zinc/21/56/71/450215671.db2.gz ONXSASACMKNGRR-GJZGRUSLSA-N 1 0 337.420 1.751 20 5 EDBDRO Cc1noc(C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)c1[N+](=O)[O-] ZINC000595553829 450228051 /nfs/dbraw/zinc/22/80/51/450228051.db2.gz OJNLQFPLIWVFJP-HNNXBMFYSA-N 1 0 339.392 1.939 20 5 EDBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601779384 450234701 /nfs/dbraw/zinc/23/47/01/450234701.db2.gz QXZMLKBMMZWFEZ-XNJGSVPQSA-N 1 0 335.404 1.791 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000603314663 450238428 /nfs/dbraw/zinc/23/84/28/450238428.db2.gz UYYNVWRBDAQYPK-CHWSQXEVSA-N 1 0 341.433 1.973 20 5 EDBDRO CN(CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000618562656 450245133 /nfs/dbraw/zinc/24/51/33/450245133.db2.gz WOQUXWNMZRIGJW-OAHLLOKOSA-N 1 0 341.433 1.843 20 5 EDBDRO CNc1ccc(C(=O)NCC[NH+]2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000610573077 450264879 /nfs/dbraw/zinc/26/48/79/450264879.db2.gz VCZLSTRUSSNPQE-UHFFFAOYSA-N 1 0 336.392 1.477 20 5 EDBDRO COC(=O)Cc1ccc(NC[C@H]2CSCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000603419793 450292907 /nfs/dbraw/zinc/29/29/07/450292907.db2.gz QHQAFJZNGUUGHV-NSHDSACASA-N 1 0 325.390 1.427 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CC(C3CCOCC3)C2)c1 ZINC000619706025 450312081 /nfs/dbraw/zinc/31/20/81/450312081.db2.gz FHFXLVMGIQTCII-MRXNPFEDSA-N 1 0 336.388 1.693 20 5 EDBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619476221 450484309 /nfs/dbraw/zinc/48/43/09/450484309.db2.gz SLVZXXWJOZXIHQ-LLVKDONJSA-N 1 0 345.421 1.612 20 5 EDBDRO O=C(NCc1cccc(=O)[nH]1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000537835870 491002160 /nfs/dbraw/zinc/00/21/60/491002160.db2.gz FPLLGMICYCFIGA-UHFFFAOYSA-N 1 0 339.311 1.811 20 5 EDBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000238147257 491010955 /nfs/dbraw/zinc/01/09/55/491010955.db2.gz BZHCOPAHPUMZLF-ZDUSSCGKSA-N 1 0 343.387 1.900 20 5 EDBDRO CC(C)(C)[C@@H](CCO)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000183683296 526614547 /nfs/dbraw/zinc/61/45/47/526614547.db2.gz XPEXFLIBGFTHAG-OAHLLOKOSA-N 1 0 335.404 1.871 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000174028519 527820499 /nfs/dbraw/zinc/82/04/99/527820499.db2.gz HFVJKBNQQUQLCM-ZDUSSCGKSA-N 1 0 341.433 1.866 20 5 EDBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151365666 528022291 /nfs/dbraw/zinc/02/22/91/528022291.db2.gz RTHKGTPQSPZYAZ-ZDUSSCGKSA-N 1 0 338.412 1.068 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000173705850 528283209 /nfs/dbraw/zinc/28/32/09/528283209.db2.gz MUWYLWOEGYDPSZ-AWEZNQCLSA-N 1 0 334.376 1.476 20 5 EDBDRO CCN(CCC[NH+](C)C)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000190289509 528442991 /nfs/dbraw/zinc/44/29/91/528442991.db2.gz OFZSELAGLYHZQY-UHFFFAOYSA-N 1 0 330.410 1.020 20 5 EDBDRO CC[N@H+](CCO)CCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000187349791 528538350 /nfs/dbraw/zinc/53/83/50/528538350.db2.gz XIKJOPGPDIYWFG-ZDUSSCGKSA-N 1 0 338.408 1.578 20 5 EDBDRO CCNC(=O)[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000339325224 535408505 /nfs/dbraw/zinc/40/85/05/535408505.db2.gz GCFWAXZLUVLHQZ-DZGCQCFKSA-N 1 0 339.392 1.085 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000346140637 535809394 /nfs/dbraw/zinc/80/93/94/535809394.db2.gz UCUITRPLIPRVQN-VXGBXAGGSA-N 1 0 338.412 1.038 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2OCC[NH+](C)C)n1 ZINC000271441380 535914517 /nfs/dbraw/zinc/91/45/17/535914517.db2.gz UBOHUQVPUDLXKZ-UHFFFAOYSA-N 1 0 347.375 1.199 20 5 EDBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCc1cnccn1 ZINC000271365094 536307787 /nfs/dbraw/zinc/30/77/87/536307787.db2.gz QJSWFJZPWSNMBB-UHFFFAOYSA-N 1 0 329.360 1.888 20 5 EDBDRO COc1cc(CCNC(=O)[C@H]([NH3+])CC(F)F)c([N+](=O)[O-])cc1OC ZINC000345710132 536739265 /nfs/dbraw/zinc/73/92/65/536739265.db2.gz KCSAANLMTNTQPF-SECBINFHSA-N 1 0 347.318 1.253 20 5 EDBDRO COc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000248581417 536891918 /nfs/dbraw/zinc/89/19/18/536891918.db2.gz FKSTVVBGUPXGRH-DLOVCJGASA-N 1 0 335.360 1.421 20 5 EDBDRO O=[N+]([O-])c1c(N2CC[NH+](CCCCO)CC2)nc2sccn21 ZINC000741747655 579427034 /nfs/dbraw/zinc/42/70/34/579427034.db2.gz FBJBBQPORRBKSJ-UHFFFAOYSA-N 1 0 325.394 1.199 20 5 EDBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000742415380 579451561 /nfs/dbraw/zinc/45/15/61/579451561.db2.gz SNNMXDHISDJSSP-HNNXBMFYSA-N 1 0 342.399 1.938 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC23CC4CC(CC(C4)C2)C3)c1 ZINC000743252134 579474090 /nfs/dbraw/zinc/47/40/90/579474090.db2.gz MLXAUUWWXFMIRE-AIWVUANBSA-N 1 0 334.420 1.958 20 5 EDBDRO O=C(CC[N@@H+]1CCc2nn[nH]c2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000759522016 580007932 /nfs/dbraw/zinc/00/79/32/580007932.db2.gz UOUGOCSGLYSCDC-UHFFFAOYSA-N 1 0 334.311 1.239 20 5 EDBDRO COC(=O)[C@@]1(C)CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000759750084 580013798 /nfs/dbraw/zinc/01/37/98/580013798.db2.gz KUFZZNMCWDWKHD-HNNXBMFYSA-N 1 0 333.348 1.490 20 5 EDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729498507 578577023 /nfs/dbraw/zinc/57/70/23/578577023.db2.gz OXJSHFYRDFSRNW-LSDHHAIUSA-N 1 0 334.376 1.257 20 5 EDBDRO NS(=O)(=O)C[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735493955 578888057 /nfs/dbraw/zinc/88/80/57/578888057.db2.gz UHWCSUGNNXVQTD-LLVKDONJSA-N 1 0 333.797 1.501 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+](C)[C@H](C)C1 ZINC000761078308 580047023 /nfs/dbraw/zinc/04/70/23/580047023.db2.gz BLFZDTIPHCFEQO-GFCCVEGCSA-N 1 0 336.392 1.568 20 5 EDBDRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000735962570 578943121 /nfs/dbraw/zinc/94/31/21/578943121.db2.gz LGKHEGQYAVLNDU-UHFFFAOYSA-N 1 0 349.387 1.741 20 5 EDBDRO C[C@H](C(=O)OCCn1cc([N+](=O)[O-])ccc1=O)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000761405635 580056738 /nfs/dbraw/zinc/05/67/38/580056738.db2.gz RNXQEDHPUYLDJU-FRRDWIJNSA-N 1 0 337.376 1.561 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCCN1CCCS1(=O)=O ZINC000740004473 579279950 /nfs/dbraw/zinc/27/99/50/579279950.db2.gz NQOXVHGEPXHZTD-UHFFFAOYSA-N 1 0 347.824 1.763 20 5 EDBDRO NC(=O)C1([NH2+]CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000746473362 579596697 /nfs/dbraw/zinc/59/66/97/579596697.db2.gz SBYNMNSRXQLOKN-UHFFFAOYSA-N 1 0 348.359 1.281 20 5 EDBDRO Nc1c(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000749389138 579724574 /nfs/dbraw/zinc/72/45/74/579724574.db2.gz IBQRPEREEHAHDF-ZDUSSCGKSA-N 1 0 348.403 1.550 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(O[C@H]3CCOC3)CC2)c1 ZINC000749685183 579734933 /nfs/dbraw/zinc/73/49/33/579734933.db2.gz BXEHZBQXVGBFMV-DLBZAZTESA-N 1 0 336.388 1.898 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[N@@H+]1C1CC1 ZINC000753707381 579885390 /nfs/dbraw/zinc/88/53/90/579885390.db2.gz PXPRIYASPXLPFU-AAEUAGOBSA-N 1 0 343.387 1.686 20 5 EDBDRO COC(=O)[C@@H]1C[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C[C@H]1C ZINC000755928788 579938508 /nfs/dbraw/zinc/93/85/08/579938508.db2.gz ZOJJYKZGVPSZGH-NOZJJQNGSA-N 1 0 333.348 1.346 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000758331009 579980008 /nfs/dbraw/zinc/98/00/08/579980008.db2.gz LWCVVIGZOMLIDC-ABAIWWIYSA-N 1 0 343.387 1.543 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000758854213 579993214 /nfs/dbraw/zinc/99/32/14/579993214.db2.gz QDSILFMEVLUXRB-NSHDSACASA-N 1 0 342.421 1.020 20 5 EDBDRO CC1=CC[N@H+](CCNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000762698998 580080665 /nfs/dbraw/zinc/08/06/65/580080665.db2.gz GKGNTRZHIKVTCM-UHFFFAOYSA-N 1 0 343.387 1.713 20 5 EDBDRO O=C(NCCNc1cc[nH+]cc1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000762817224 580084478 /nfs/dbraw/zinc/08/44/78/580084478.db2.gz ZPXOKNZPXCJHRB-UHFFFAOYSA-N 1 0 344.356 1.258 20 5 EDBDRO COc1cc(CN2CC[NH+](CCCCO)CC2)c([N+](=O)[O-])cc1F ZINC000766824831 580174785 /nfs/dbraw/zinc/17/47/85/580174785.db2.gz GTAGOMZIBIIWEN-UHFFFAOYSA-N 1 0 341.383 1.633 20 5 EDBDRO CN1CCC2(CC[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000773922023 580349343 /nfs/dbraw/zinc/34/93/43/580349343.db2.gz CZWBSDJPNUSSKZ-HNNXBMFYSA-N 1 0 333.388 1.573 20 5 EDBDRO CNC(=O)C(C)(C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000775619012 580395480 /nfs/dbraw/zinc/39/54/80/580395480.db2.gz MOKLXTNSQJELOM-UHFFFAOYSA-N 1 0 334.420 1.925 20 5 EDBDRO CCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776577959 580421861 /nfs/dbraw/zinc/42/18/61/580421861.db2.gz BNSWVWKKMAHICI-GDBMZVCRSA-N 1 0 335.404 1.866 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000776578569 580421922 /nfs/dbraw/zinc/42/19/22/580421922.db2.gz GKTCFTHPCNSSII-ZWKOTPCHSA-N 1 0 349.431 1.815 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000780354603 580519505 /nfs/dbraw/zinc/51/95/05/580519505.db2.gz UMXMWWWHMUBDEX-CYBMUJFWSA-N 1 0 330.344 1.760 20 5 EDBDRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000780867860 580536166 /nfs/dbraw/zinc/53/61/66/580536166.db2.gz NEPGMOPTOSOYPU-LBPRGKRZSA-N 1 0 327.406 1.499 20 5 EDBDRO CC[NH+](CC)CCNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781561392 580552415 /nfs/dbraw/zinc/55/24/15/580552415.db2.gz LEWIEBNCZQOFQZ-UHFFFAOYSA-N 1 0 338.364 1.894 20 5 EDBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[NH+](CCCCO)CC3)c2c1 ZINC000782147084 580567862 /nfs/dbraw/zinc/56/78/62/580567862.db2.gz MUJOYEIWTJPPTP-UHFFFAOYSA-N 1 0 331.376 1.433 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782619643 580580689 /nfs/dbraw/zinc/58/06/89/580580689.db2.gz QHCYYXREYOZQTH-MEDUHNTESA-N 1 0 333.344 1.207 20 5 EDBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2)CC1 ZINC000794618983 580899894 /nfs/dbraw/zinc/89/98/94/580899894.db2.gz OMMDMAJFGKVUMQ-UHFFFAOYSA-N 1 0 344.375 1.712 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)c1 ZINC000800398695 581052252 /nfs/dbraw/zinc/05/22/52/581052252.db2.gz RJWLAQAPMYHYRJ-HIFRSBDPSA-N 1 0 336.779 1.563 20 5 EDBDRO C[C@H](COC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2)[N+](=O)[O-] ZINC000893044828 590632542 /nfs/dbraw/zinc/63/25/42/590632542.db2.gz OMCCTLGALAXQPV-QGPMSJSTSA-N 1 0 348.399 1.734 20 5 EDBDRO C[C@@H]1[C@H](C)N(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC[N@H+]1C ZINC000893093604 590656750 /nfs/dbraw/zinc/65/67/50/590656750.db2.gz VEIADDZAOKVWKU-NEPJUHHUSA-N 1 0 330.388 1.976 20 5 EDBDRO COc1c(O)ccc(C[NH2+]CCN2CCSCC2)c1[N+](=O)[O-] ZINC000893347144 590794688 /nfs/dbraw/zinc/79/46/88/590794688.db2.gz ZMPJJNWEIMHVBD-UHFFFAOYSA-N 1 0 327.406 1.447 20 5 EDBDRO Cc1ccc(CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000892156672 590828620 /nfs/dbraw/zinc/82/86/20/590828620.db2.gz QUPWGUPWTIJUDO-GFCCVEGCSA-N 1 0 328.319 1.700 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000892213051 590868059 /nfs/dbraw/zinc/86/80/59/590868059.db2.gz UYKBGWIRFKVSFA-KGLIPLIRSA-N 1 0 348.403 1.982 20 5 EDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC000892470301 591038746 /nfs/dbraw/zinc/03/87/46/591038746.db2.gz YQLIDMWPYRHBJD-LBPRGKRZSA-N 1 0 349.822 1.876 20 5 EDBDRO O=[N+]([O-])c1c2nonc2ccc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000892837868 591200341 /nfs/dbraw/zinc/20/03/41/591200341.db2.gz HUJFZBYXZLSYCE-NSHDSACASA-N 1 0 333.348 1.290 20 5 EDBDRO C[C@H]1[C@H](Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000895740920 591262816 /nfs/dbraw/zinc/26/28/16/591262816.db2.gz USLOCWMESZZQJQ-CMPLNLGQSA-N 1 0 342.421 1.350 20 5 EDBDRO [NH3+]CCN(c1ccc([N+](=O)[O-])cc1)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894453239 591316091 /nfs/dbraw/zinc/31/60/91/591316091.db2.gz CUXCBGQZMSYATO-GJZGRUSLSA-N 1 0 339.367 1.994 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)n1 ZINC000894803428 591421974 /nfs/dbraw/zinc/42/19/74/591421974.db2.gz YJQJFDLPOOTHAT-HZPDHXFCSA-N 1 0 334.376 1.554 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC([NH+]3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000898616225 591434156 /nfs/dbraw/zinc/43/41/56/591434156.db2.gz IDQZIRKXWJNZOJ-UHFFFAOYSA-N 1 0 347.371 1.692 20 5 EDBDRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000898624876 591447944 /nfs/dbraw/zinc/44/79/44/591447944.db2.gz APLPUIHPLLCQIB-UHFFFAOYSA-N 1 0 333.388 1.968 20 5 EDBDRO C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000896575429 591535005 /nfs/dbraw/zinc/53/50/05/591535005.db2.gz PSQJTPLPXQFTFZ-XJKSGUPXSA-N 1 0 349.435 1.147 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c1 ZINC000895247837 591681019 /nfs/dbraw/zinc/68/10/19/591681019.db2.gz WZWBACWHTGUWNP-XHDPSFHLSA-N 1 0 336.392 1.428 20 5 EDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)CCO ZINC000899737108 591926645 /nfs/dbraw/zinc/92/66/45/591926645.db2.gz YMNYISAJNDWMJF-UHFFFAOYSA-N 1 0 327.406 1.361 20 5 EDBDRO C[NH+]1C[C@@]2(C)CN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000902807553 592063553 /nfs/dbraw/zinc/06/35/53/592063553.db2.gz ZVKUAWVICYTZPR-IRXDYDNUSA-N 1 0 346.387 1.334 20 5 EDBDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000900789350 592124163 /nfs/dbraw/zinc/12/41/63/592124163.db2.gz FXVTZPGYTQKRBU-WBVHZDCISA-N 1 0 335.404 1.489 20 5 EDBDRO C[C@@H](C[NH2+][C@@H]1C(=O)NCC12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000903244684 592143579 /nfs/dbraw/zinc/14/35/79/592143579.db2.gz BCNTXZWTQAFQAS-SWLSCSKDSA-N 1 0 333.388 1.583 20 5 EDBDRO CN1CCOC[C@]1(CO)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000903279741 592151112 /nfs/dbraw/zinc/15/11/12/592151112.db2.gz RVLPGNXMBUAOLM-SJLPKXTDSA-N 1 0 349.431 1.600 20 5 EDBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000908124060 592312464 /nfs/dbraw/zinc/31/24/64/592312464.db2.gz IJPAQMURKXIUDV-QGZVFWFLSA-N 1 0 335.404 1.443 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@]12CC[NH2+]C2 ZINC000903865967 592341179 /nfs/dbraw/zinc/34/11/79/592341179.db2.gz FVLMHIFLSMCKGC-KRWDZBQOSA-N 1 0 346.387 1.721 20 5 EDBDRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNCC[N+](=O)[O-])CC1 ZINC000905138079 592432633 /nfs/dbraw/zinc/43/26/33/592432633.db2.gz OMSXTWZJMQVVSJ-UHFFFAOYSA-N 1 0 346.353 1.824 20 5 EDBDRO C[N@@H+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC12CCCCC2 ZINC000908571013 592543261 /nfs/dbraw/zinc/54/32/61/592543261.db2.gz QMCCZGORKFGRAE-UHFFFAOYSA-N 1 0 334.376 1.786 20 5 EDBDRO CO[C@]1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCSC1 ZINC000905547257 592557235 /nfs/dbraw/zinc/55/72/35/592557235.db2.gz VHCAURMKIGYAOI-HIFRSBDPSA-N 1 0 342.417 1.446 20 5 EDBDRO O=[N+]([O-])c1c(N[C@H]2C[NH2+]CC3(CCOCC3)C2)nc2sccn21 ZINC000905691084 592605930 /nfs/dbraw/zinc/60/59/30/592605930.db2.gz VWPLBOZAUATYIA-SNVBAGLBSA-N 1 0 337.405 1.875 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCC2CCC(F)(F)CC2)c1 ZINC000905675990 592608794 /nfs/dbraw/zinc/60/87/94/592608794.db2.gz BFSPJEPXRQIHRG-CYBMUJFWSA-N 1 0 332.351 1.957 20 5 EDBDRO C[NH+](C)CC(C)(C)NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000905918932 592681692 /nfs/dbraw/zinc/68/16/92/592681692.db2.gz FNQPPMYFDQICMJ-UHFFFAOYSA-N 1 0 337.376 1.826 20 5 EDBDRO C[NH+]1CCC(N(CCO)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000911933959 593038794 /nfs/dbraw/zinc/03/87/94/593038794.db2.gz TUDIYIHUMCHPHY-UHFFFAOYSA-N 1 0 341.795 1.777 20 5 EDBDRO C[NH+]1CCC(N(CCO)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000911938944 593039871 /nfs/dbraw/zinc/03/98/71/593039871.db2.gz OGFPILKIMVZVRZ-UHFFFAOYSA-N 1 0 341.795 1.777 20 5 EDBDRO CC[NH+](CC)CCOC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000912577302 593106069 /nfs/dbraw/zinc/10/60/69/593106069.db2.gz GDSMVUZYBMIEIM-UHFFFAOYSA-N 1 0 349.343 1.076 20 5 EDBDRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000912591110 593106958 /nfs/dbraw/zinc/10/69/58/593106958.db2.gz DDOYZUUTRLGUCV-UHFFFAOYSA-N 1 0 341.433 1.869 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000738227362 593110534 /nfs/dbraw/zinc/11/05/34/593110534.db2.gz ODICKWMVRJWKKG-LLVKDONJSA-N 1 0 332.360 1.032 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](C[C@@H](O)C4CC4)CC3)nc2c1 ZINC000838934505 593241560 /nfs/dbraw/zinc/24/15/60/593241560.db2.gz XMTOOXUENHDHHW-MRXNPFEDSA-N 1 0 345.403 1.754 20 5 EDBDRO NC(=O)C[C@@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000808228020 593243015 /nfs/dbraw/zinc/24/30/15/593243015.db2.gz RFYVHJZDMNLJIN-LBPRGKRZSA-N 1 0 329.360 1.613 20 5 EDBDRO C[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000761665937 593420216 /nfs/dbraw/zinc/42/02/16/593420216.db2.gz VYSGBYMLYPTPIO-APHBMKBZSA-N 1 0 333.388 1.678 20 5 EDBDRO COc1cc(CC[NH2+]CCC(=O)N(C)OC)c([N+](=O)[O-])cc1OC ZINC000806626040 593460488 /nfs/dbraw/zinc/46/04/88/593460488.db2.gz XQXPLXYBBZQDTF-UHFFFAOYSA-N 1 0 341.364 1.154 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])[C@H]2C1 ZINC000813741566 593552782 /nfs/dbraw/zinc/55/27/82/593552782.db2.gz RFDRTSUAAQKXBX-KOLCDFICSA-N 1 0 329.353 1.059 20 5 EDBDRO C[C@@H]1C[C@@H](C)N(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000818023732 593658635 /nfs/dbraw/zinc/65/86/35/593658635.db2.gz LIKYRZZGBHCDHH-YRGRVCCFSA-N 1 0 345.403 1.776 20 5 EDBDRO CC(C)(C(=O)NCc1ccc(CC[NH3+])cc1)n1cc([N+](=O)[O-])cn1 ZINC000818533619 593703691 /nfs/dbraw/zinc/70/36/91/593703691.db2.gz QGXYSZYARLEQPC-UHFFFAOYSA-N 1 0 331.376 1.344 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821581303 593867900 /nfs/dbraw/zinc/86/79/00/593867900.db2.gz IEKSNYSIJWLCIT-VHSXEESVSA-N 1 0 332.368 1.455 20 5 EDBDRO C[NH+](C)[C@]1(CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CCSC1 ZINC000823988316 593902154 /nfs/dbraw/zinc/90/21/54/593902154.db2.gz VYJGNSVPTWPWBC-AWEZNQCLSA-N 1 0 339.421 1.736 20 5 EDBDRO CC[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000820908107 593920012 /nfs/dbraw/zinc/92/00/12/593920012.db2.gz JHWVGHOOHYPFJC-SNVBAGLBSA-N 1 0 332.368 1.456 20 5 EDBDRO CC[N@@H+]1CCCC[C@H]1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821268130 594003365 /nfs/dbraw/zinc/00/33/65/594003365.db2.gz UEFDYSBHFVJMQO-JTQLQIEISA-N 1 0 332.368 1.456 20 5 EDBDRO C/C(=C\C(=O)N[C@@H](CO)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000840453667 594005062 /nfs/dbraw/zinc/00/50/62/594005062.db2.gz KILIJDVRJLNELC-WSYSLRRZSA-N 1 0 347.415 1.961 20 5 EDBDRO C[NH+]1CCN(c2ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cn2)CC1 ZINC000822330357 594033329 /nfs/dbraw/zinc/03/33/29/594033329.db2.gz LNUMJQRIVPXICF-UHFFFAOYSA-N 1 0 335.408 1.607 20 5 EDBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(-c2nn[nH]n2)c1 ZINC000824605846 594046520 /nfs/dbraw/zinc/04/65/20/594046520.db2.gz MJCFFITUYYJSLB-SNVBAGLBSA-N 1 0 328.336 1.322 20 5 EDBDRO Cc1ccccc1[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CCN1 ZINC000825175568 594142189 /nfs/dbraw/zinc/14/21/89/594142189.db2.gz WXOHLNJWGZFDKN-ZDUSSCGKSA-N 1 0 329.360 1.423 20 5 EDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000825189167 594144548 /nfs/dbraw/zinc/14/45/48/594144548.db2.gz XRZRMQOJZNEIOC-QWHCGFSZSA-N 1 0 348.403 1.289 20 5 EDBDRO CC(C)(CCc1noc(-c2cn([C@H]3CCC[NH2+]C3)nn2)n1)[N+](=O)[O-] ZINC000823234979 594173386 /nfs/dbraw/zinc/17/33/86/594173386.db2.gz ODQVXGNKJNKFIC-JTQLQIEISA-N 1 0 335.368 1.241 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(-c3cn([C@@H]4CCC[NH2+]C4)nn3)n2)o1 ZINC000823270982 594178727 /nfs/dbraw/zinc/17/87/27/594178727.db2.gz ZTEGFJNQIJIFAO-MRVPVSSYSA-N 1 0 331.292 1.421 20 5 EDBDRO CCOC(=O)c1cc(-c2nc(N3CC[NH2+]CC3)no2)cc([N+](=O)[O-])c1 ZINC000823321312 594186128 /nfs/dbraw/zinc/18/61/28/594186128.db2.gz YRHFSXZMBJTRMJ-UHFFFAOYSA-N 1 0 347.331 1.231 20 5 EDBDRO CCO[C@@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000831744026 594698526 /nfs/dbraw/zinc/69/85/26/594698526.db2.gz MYXJILQCIAGFRK-ZDUSSCGKSA-N 1 0 338.408 1.114 20 5 EDBDRO C[NH+]1CCN(C[C@@H](O)COc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000840757771 594815192 /nfs/dbraw/zinc/81/51/92/594815192.db2.gz PWVUSTYNEJJNFA-LLVKDONJSA-N 1 0 329.784 1.235 20 5 EDBDRO O=C(NCCCN1CC[NH2+]CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841010619 594838553 /nfs/dbraw/zinc/83/85/53/594838553.db2.gz HDSVRAHLSKOGQC-UHFFFAOYSA-N 1 0 341.799 1.665 20 5 EDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841158250 594860240 /nfs/dbraw/zinc/86/02/40/594860240.db2.gz OZIMAYITNXKOMW-SECBINFHSA-N 1 0 340.767 1.303 20 5 EDBDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841195537 594866686 /nfs/dbraw/zinc/86/66/86/594866686.db2.gz XEUPJJNURHSQAS-SNVBAGLBSA-N 1 0 342.783 1.820 20 5 EDBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cccc(Cl)c1[N+](=O)[O-] ZINC000833559421 594873664 /nfs/dbraw/zinc/87/36/64/594873664.db2.gz OWSZGEJCKFARCZ-NSHDSACASA-N 1 0 341.795 1.825 20 5 EDBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000104531669 594967814 /nfs/dbraw/zinc/96/78/14/594967814.db2.gz IPEZWGSOYNFLOB-ZDUSSCGKSA-N 1 0 336.392 1.360 20 5 EDBDRO O=C(NCC[C@H]1CC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841938433 594985917 /nfs/dbraw/zinc/98/59/17/594985917.db2.gz MKTQLUQWEYGJCA-CQSZACIVSA-N 1 0 347.419 1.426 20 5 EDBDRO CC(C)([NH3+])Cc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000843225416 595044263 /nfs/dbraw/zinc/04/42/63/595044263.db2.gz ZQHGNUGVJVEZKM-UHFFFAOYSA-N 1 0 333.348 1.117 20 5 EDBDRO C[NH+](C)CC1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000867324404 595065624 /nfs/dbraw/zinc/06/56/24/595065624.db2.gz YIMDQLXPJVWSBB-UHFFFAOYSA-N 1 0 333.797 1.430 20 5 EDBDRO CN(C)c1cc(F)c(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000834307929 595088621 /nfs/dbraw/zinc/08/86/21/595088621.db2.gz QPGZPFBLLIDTAG-ZUZCIYMTSA-N 1 0 336.367 1.576 20 5 EDBDRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843384349 595095964 /nfs/dbraw/zinc/09/59/64/595095964.db2.gz NMOWYADYMKPGPT-CYBMUJFWSA-N 1 0 327.768 1.585 20 5 EDBDRO C[C@@]1(F)C[NH2+]CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000843388437 595097599 /nfs/dbraw/zinc/09/75/99/595097599.db2.gz ZUUGKUYPZTUJRW-CQSZACIVSA-N 1 0 344.774 1.820 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842485295 595120621 /nfs/dbraw/zinc/12/06/21/595120621.db2.gz KGBQPVIKWKOPKA-CQSZACIVSA-N 1 0 325.390 1.420 20 5 EDBDRO CC[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1[NH3+] ZINC000843470896 595122296 /nfs/dbraw/zinc/12/22/96/595122296.db2.gz GNFTYJHJPMKLFF-MFKMUULPSA-N 1 0 325.340 1.699 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000104896808 595192383 /nfs/dbraw/zinc/19/23/83/595192383.db2.gz FZRYLAMPVUQSGI-GFCCVEGCSA-N 1 0 336.392 1.326 20 5 EDBDRO Cc1c(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000834841926 595227504 /nfs/dbraw/zinc/22/75/04/595227504.db2.gz WZSPJDOOGPFHJS-LLVKDONJSA-N 1 0 344.274 1.538 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCc3c2cnn3CCO)c1 ZINC000843066306 595279222 /nfs/dbraw/zinc/27/92/22/595279222.db2.gz UTCOUWUZAXVLFV-DOTOQJQBSA-N 1 0 346.387 1.484 20 5 EDBDRO Nc1ccc(C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000846687318 595301897 /nfs/dbraw/zinc/30/18/97/595301897.db2.gz CUCLQBUSVAHTDH-ZENOOKHLSA-N 1 0 348.403 1.536 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000846700558 595303878 /nfs/dbraw/zinc/30/38/78/595303878.db2.gz XRKFXUKBYXCQHS-LYRGGWFBSA-N 1 0 348.403 1.678 20 5 EDBDRO Cn1cc(COC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000847785241 595483462 /nfs/dbraw/zinc/48/34/62/595483462.db2.gz KMLVGXRJYXOVMN-AWEZNQCLSA-N 1 0 328.344 1.584 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2[NH2+]CCc3ccccc32)nc1 ZINC000850587644 595539221 /nfs/dbraw/zinc/53/92/21/595539221.db2.gz FONISTCBPZKWES-CQSZACIVSA-N 1 0 348.384 1.155 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000857765469 595599881 /nfs/dbraw/zinc/59/98/81/595599881.db2.gz AEGGMPDDFXYXQM-VHSXEESVSA-N 1 0 329.303 1.823 20 5 EDBDRO O=C(N[C@H]1CCCC[NH2+]C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857765645 595599894 /nfs/dbraw/zinc/59/98/94/595599894.db2.gz SIVCBFJSVHVKKD-JTQLQIEISA-N 1 0 329.303 1.825 20 5 EDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000857766219 595600585 /nfs/dbraw/zinc/60/05/85/595600585.db2.gz OAAYQLWNLMMYAS-UWVGGRQHSA-N 1 0 329.303 1.810 20 5 EDBDRO O=C(N1CC[C@@H]2[NH2+]CC[C@@H]2C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766058 595600781 /nfs/dbraw/zinc/60/07/81/595600781.db2.gz YHHBFEGIEFJLCO-MFKMUULPSA-N 1 0 341.314 1.777 20 5 EDBDRO CC(=O)c1ccc(N2CC(CN3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000858610309 595842232 /nfs/dbraw/zinc/84/22/32/595842232.db2.gz AVKZZMHGHDRQBV-UHFFFAOYSA-N 1 0 332.404 1.481 20 5 EDBDRO COc1cc(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)ccc1[N+](=O)[O-] ZINC000858631754 595851451 /nfs/dbraw/zinc/85/14/51/595851451.db2.gz HWIIGPLNEGJFDB-ZJUUUORDSA-N 1 0 329.378 1.022 20 5 EDBDRO C[C@@H]([NH3+])CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000858640056 595853144 /nfs/dbraw/zinc/85/31/44/595853144.db2.gz MIEKYRAPZKYAQM-SSDOTTSWSA-N 1 0 341.311 1.581 20 5 EDBDRO C[C@H]([NH3+])CN(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000858641477 595853638 /nfs/dbraw/zinc/85/36/38/595853638.db2.gz HRDVUZHFLZIBJO-LURJTMIESA-N 1 0 342.204 1.869 20 5 EDBDRO [NH3+]C1(CNC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCC1 ZINC000851671069 595878475 /nfs/dbraw/zinc/87/84/75/595878475.db2.gz FGHSTLDWCRFYDZ-UHFFFAOYSA-N 1 0 347.419 1.698 20 5 EDBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(F)c1 ZINC000853964819 595936144 /nfs/dbraw/zinc/93/61/44/595936144.db2.gz BHOJTDXYWHXWLV-LBPRGKRZSA-N 1 0 327.331 1.908 20 5 EDBDRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000857235058 596194139 /nfs/dbraw/zinc/19/41/39/596194139.db2.gz OHBWKEANRVMEDS-NOZJJQNGSA-N 1 0 345.808 1.750 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866719722 596309502 /nfs/dbraw/zinc/30/95/02/596309502.db2.gz CCZMQVWQUVWBAK-GXTWGEPZSA-N 1 0 334.376 1.368 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866792165 596349151 /nfs/dbraw/zinc/34/91/51/596349151.db2.gz VHJWOGKLIDZTIS-AOOOYVTPSA-N 1 0 331.781 1.373 20 5 EDBDRO C[N@@H+]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCC1(C)C ZINC000871152640 596480170 /nfs/dbraw/zinc/48/01/70/596480170.db2.gz MEBHGWLQLJGVBG-UHFFFAOYSA-N 1 0 345.403 1.887 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865170645 596498442 /nfs/dbraw/zinc/49/84/42/596498442.db2.gz GUGFTQYGJLXKPL-CYBMUJFWSA-N 1 0 339.367 1.503 20 5 EDBDRO CC(C)[C@@H]1C[NH2+]CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000863546226 596613711 /nfs/dbraw/zinc/61/37/11/596613711.db2.gz GZVIOBAKWYVJOY-HNNXBMFYSA-N 1 0 338.383 1.992 20 5 EDBDRO C[C@@H]1C[C@H](N(C)C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000867947054 596629431 /nfs/dbraw/zinc/62/94/31/596629431.db2.gz YAERLDNEXKUQAQ-MRRJBJDNSA-N 1 0 334.420 1.710 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000865925804 596724389 /nfs/dbraw/zinc/72/43/89/596724389.db2.gz NAHTYPCEIOISOA-KRWDZBQOSA-N 1 0 348.403 1.372 20 5 EDBDRO COc1cc(N[C@H]2CC[N@H+](CC(C)(C)O)C2)c(F)cc1[N+](=O)[O-] ZINC000865998969 596753135 /nfs/dbraw/zinc/75/31/35/596753135.db2.gz VLLBSNXSVJCFOM-JTQLQIEISA-N 1 0 327.356 2.000 20 5 EDBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000874844433 597196741 /nfs/dbraw/zinc/19/67/41/597196741.db2.gz RYTMDTGOSSSGGA-GJZGRUSLSA-N 1 0 337.351 1.808 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000873193388 597223391 /nfs/dbraw/zinc/22/33/91/597223391.db2.gz OOFDFEDXOUOJNG-MWQQHZPXSA-N 1 0 335.404 1.206 20 5 EDBDRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000124539517 597294684 /nfs/dbraw/zinc/29/46/84/597294684.db2.gz QNOQAFUNGHHEAG-MWLCHTKSSA-N 1 0 331.369 1.530 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000876848724 597358223 /nfs/dbraw/zinc/35/82/23/597358223.db2.gz UQJILMOQVIWSHJ-CQSZACIVSA-N 1 0 332.404 1.331 20 5 EDBDRO C[C@]12C[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)C[C@]1(C)C(=O)NC2=O ZINC000877668470 597546408 /nfs/dbraw/zinc/54/64/08/597546408.db2.gz JESAHJFNKHSHJN-HUUCEWRRSA-N 1 0 337.763 1.733 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)CC3(O)CCCC3)CC2)cc1 ZINC000877914042 597563795 /nfs/dbraw/zinc/56/37/95/597563795.db2.gz YJRKXMYYERLWRO-QGZVFWFLSA-N 1 0 349.431 1.773 20 5 EDBDRO CC[NH+](CC)CC(=O)N1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881917950 597797237 /nfs/dbraw/zinc/79/72/37/597797237.db2.gz XKRGKPYRIVNXIV-UHFFFAOYSA-N 1 0 339.371 1.119 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](Oc2ccc(C)cn2)C1 ZINC000879057701 597805876 /nfs/dbraw/zinc/80/58/76/597805876.db2.gz UOYTZMCQMZWIIN-AWEZNQCLSA-N 1 0 331.376 1.956 20 5 EDBDRO C[N@H+](CCCOC(=O)Cn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000129458756 597876161 /nfs/dbraw/zinc/87/61/61/597876161.db2.gz GQFLPPBYTMLVHP-UHFFFAOYSA-N 1 0 332.360 1.857 20 5 EDBDRO NC(=O)C1([NH+]2CCCCC2)CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000882816673 598069826 /nfs/dbraw/zinc/06/98/26/598069826.db2.gz VDYXBSKIYGJALW-UHFFFAOYSA-N 1 0 338.433 1.967 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000918396127 697160651 /nfs/dbraw/zinc/16/06/51/697160651.db2.gz HAIVDSUTXRTUHE-CYBMUJFWSA-N 1 0 331.376 1.545 20 5 EDBDRO Cc1nc(C(=O)NCC2CN(Cc3ccc([N+](=O)[O-])cc3)C2)co1 ZINC001031628173 697367230 /nfs/dbraw/zinc/36/72/30/697367230.db2.gz ZWXBYJGILQCFNY-UHFFFAOYSA-N 1 0 330.344 1.753 20 5 EDBDRO CO[C@]1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000922615834 704141652 /nfs/dbraw/zinc/14/16/52/704141652.db2.gz OQPMHIZEOWCQAE-VOKGJARPSA-N 1 0 340.401 1.401 20 5 EDBDRO CCO[C@@H](CNCc1cc(OC)c(O)cc1[N+](=O)[O-])C[NH+](C)C ZINC000922756147 704316350 /nfs/dbraw/zinc/31/63/50/704316350.db2.gz GKPMEGCLRFPHNE-LBPRGKRZSA-N 1 0 327.381 1.365 20 5 EDBDRO O=C(Cn1cccn1)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001002340795 708830410 /nfs/dbraw/zinc/83/04/10/708830410.db2.gz BBYLHIIDWCDTSD-UHFFFAOYSA-N 1 0 343.387 1.572 20 5 EDBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1ncccn1 ZINC001003826487 710633526 /nfs/dbraw/zinc/63/35/26/710633526.db2.gz ADNSDMYYYTXJFS-UHFFFAOYSA-N 1 0 341.371 1.779 20 5 EDBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1cn[nH]n1 ZINC001034679139 710660327 /nfs/dbraw/zinc/66/03/27/710660327.db2.gz LBHVDVCZEYFIDX-JOCQHMNTSA-N 1 0 344.375 1.544 20 5 EDBDRO C[N@@H+]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000097617308 219041830 /nfs/dbraw/zinc/04/18/30/219041830.db2.gz ZFNQEIYYTXKELF-UHFFFAOYSA-N 1 0 329.360 1.558 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000173686495 231005119 /nfs/dbraw/zinc/00/51/19/231005119.db2.gz CSDMLGMEHRDINC-MRXNPFEDSA-N 1 0 347.415 1.708 20 5 EDBDRO CCc1n[nH]c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000171397225 529468044 /nfs/dbraw/zinc/46/80/44/529468044.db2.gz FVIMNXBCMWQGGB-CYBMUJFWSA-N 1 0 331.376 1.913 20 5 EDBDRO Cc1nn(C)c(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c1[N+](=O)[O-] ZINC000424031209 282255680 /nfs/dbraw/zinc/25/56/80/282255680.db2.gz AIJUWTJOSLSMNO-UHFFFAOYSA-N 1 0 347.419 1.520 20 5 EDBDRO CN1CC[NH+](CCC(C)(C)NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000184211117 530071965 /nfs/dbraw/zinc/07/19/65/530071965.db2.gz ZQEFHIXGXBDEDV-UHFFFAOYSA-N 1 0 340.449 1.802 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066106101 215013520 /nfs/dbraw/zinc/01/35/20/215013520.db2.gz KPCNFVHZDSVRPM-AWEZNQCLSA-N 1 0 339.417 1.762 20 5 EDBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102488234 219206991 /nfs/dbraw/zinc/20/69/91/219206991.db2.gz GTINQASLSARNML-CYBMUJFWSA-N 1 0 337.424 1.907 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCSCC1 ZINC000103467843 219302936 /nfs/dbraw/zinc/30/29/36/219302936.db2.gz TZGNGBKPWBVBKB-UHFFFAOYSA-N 1 0 325.390 1.981 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cc3c(s2)CCCC3)c1 ZINC000562492489 306300346 /nfs/dbraw/zinc/30/03/46/306300346.db2.gz QTXDLCDCCWLUOM-CYBMUJFWSA-N 1 0 336.417 1.882 20 5 EDBDRO Cc1ccc(S(=O)(=O)NCC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000181225470 234124535 /nfs/dbraw/zinc/12/45/35/234124535.db2.gz WUSLWBSGTJYMTC-UHFFFAOYSA-N 1 0 327.406 1.571 20 5 EDBDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000562786312 306308887 /nfs/dbraw/zinc/30/88/87/306308887.db2.gz BUQYMGLRZOBYBW-NWDGAFQWSA-N 1 0 329.422 1.882 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCCc3cn[nH]c32)c1 ZINC000562995527 306315020 /nfs/dbraw/zinc/31/50/20/306315020.db2.gz CMUDTPSHLCMDIN-HIFRSBDPSA-N 1 0 332.360 1.725 20 5 EDBDRO [NH3+]C[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CCCO1 ZINC000313339795 303760854 /nfs/dbraw/zinc/76/08/54/303760854.db2.gz CBHWOLQJWSIBKL-VIFPVBQESA-N 1 0 331.170 1.306 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000184211492 235334065 /nfs/dbraw/zinc/33/40/65/235334065.db2.gz IPJZXIWISYUSCA-UHFFFAOYSA-N 1 0 349.435 1.444 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000563446350 306333773 /nfs/dbraw/zinc/33/37/73/306333773.db2.gz QSBZTEBDCTYWGC-VXGBXAGGSA-N 1 0 327.406 1.583 20 5 EDBDRO CC[NH+](CC)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000078868235 138259208 /nfs/dbraw/zinc/25/92/08/138259208.db2.gz KJFCWXTVXCVVDE-UHFFFAOYSA-N 1 0 329.422 1.913 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000090553946 138279572 /nfs/dbraw/zinc/27/95/72/138279572.db2.gz RCQINCUOVKSFKA-HNNXBMFYSA-N 1 0 328.372 1.943 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000107629428 138304528 /nfs/dbraw/zinc/30/45/28/138304528.db2.gz IUQCANAZRWBVSY-HNNXBMFYSA-N 1 0 349.435 1.967 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000106380008 219633696 /nfs/dbraw/zinc/63/36/96/219633696.db2.gz USEWCFKHYQNQDE-INIZCTEOSA-N 1 0 335.404 1.946 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175120631 138691847 /nfs/dbraw/zinc/69/18/47/138691847.db2.gz UXWBYLNKGMNHGI-UHFFFAOYSA-N 1 0 337.376 1.905 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H]1CCC[NH2+]1 ZINC000178744316 138745453 /nfs/dbraw/zinc/74/54/53/138745453.db2.gz MFROHLJRMBBSAA-SNVBAGLBSA-N 1 0 342.193 1.768 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000189687180 237143358 /nfs/dbraw/zinc/14/33/58/237143358.db2.gz HGKBJUZPNRFIHF-MRXNPFEDSA-N 1 0 333.388 1.922 20 5 EDBDRO CO[C@@H]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000564835748 306366244 /nfs/dbraw/zinc/36/62/44/306366244.db2.gz PGBVHCDGURLAAE-GHMZBOCLSA-N 1 0 339.417 1.895 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000564838438 306366337 /nfs/dbraw/zinc/36/63/37/306366337.db2.gz SZDGPGPYYUWKRT-QWHCGFSZSA-N 1 0 348.403 1.241 20 5 EDBDRO CC[NH+]1CCC(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000109984608 220007487 /nfs/dbraw/zinc/00/74/87/220007487.db2.gz UFYMSHZZDXWBQV-UHFFFAOYSA-N 1 0 344.371 1.650 20 5 EDBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000236597995 139026655 /nfs/dbraw/zinc/02/66/55/139026655.db2.gz YBDSWZIPOPPCAR-SNVBAGLBSA-N 1 0 332.360 1.540 20 5 EDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237580269 139054673 /nfs/dbraw/zinc/05/46/73/139054673.db2.gz QPRPINWSTXGZCC-NWDGAFQWSA-N 1 0 329.360 1.603 20 5 EDBDRO C[NH+]1CCC(CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000111592869 220168283 /nfs/dbraw/zinc/16/82/83/220168283.db2.gz VMRGNEJDEFKWEC-UHFFFAOYSA-N 1 0 344.371 1.508 20 5 EDBDRO Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2C)nnn1C1CC[NH2+]CC1 ZINC000237827273 139061466 /nfs/dbraw/zinc/06/14/66/139061466.db2.gz MYKJOYTZGUWZPR-UHFFFAOYSA-N 1 0 344.375 1.980 20 5 EDBDRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000237860853 139062253 /nfs/dbraw/zinc/06/22/53/139062253.db2.gz AGTYTLCFYPCSQG-KGLIPLIRSA-N 1 0 346.387 1.007 20 5 EDBDRO O=[N+]([O-])c1ccc(C[NH2+]CCS(=O)(=O)NCc2ccccc2)cc1 ZINC000237968685 139065383 /nfs/dbraw/zinc/06/53/83/139065383.db2.gz XRTCDEMPPPKENA-UHFFFAOYSA-N 1 0 349.412 1.804 20 5 EDBDRO C[C@@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415364192 304204443 /nfs/dbraw/zinc/20/44/43/304204443.db2.gz TXXDSNUUSHISSX-SNVBAGLBSA-N 1 0 336.392 1.684 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)CCC[NH3+] ZINC000568510081 306483248 /nfs/dbraw/zinc/48/32/48/306483248.db2.gz AQIJHVTZIUCUBR-MWLCHTKSSA-N 1 0 326.401 1.071 20 5 EDBDRO CC(C)(C)C[C@@H](O)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000568511738 306483355 /nfs/dbraw/zinc/48/33/55/306483355.db2.gz TZBHNWNQYVCESM-ZIAGYGMSSA-N 1 0 326.393 1.721 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000415386992 304211148 /nfs/dbraw/zinc/21/11/48/304211148.db2.gz BVEMEGXHOWSYJS-NSHDSACASA-N 1 0 334.376 1.164 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000415389302 304211952 /nfs/dbraw/zinc/21/19/52/304211952.db2.gz SLVRPWPDVQESMW-LLVKDONJSA-N 1 0 334.376 1.428 20 5 EDBDRO COC(=O)[C@H](C)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000152141148 291731886 /nfs/dbraw/zinc/73/18/86/291731886.db2.gz JEDBKVNZYCGPSY-DOMZBBRYSA-N 1 0 332.360 1.931 20 5 EDBDRO C[C@@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[C@@H](C[NH3+])C1 ZINC000261647216 139214161 /nfs/dbraw/zinc/21/41/61/139214161.db2.gz BENUZSKKWVLFQR-CHWSQXEVSA-N 1 0 343.387 1.980 20 5 EDBDRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000261686590 139217486 /nfs/dbraw/zinc/21/74/86/139217486.db2.gz NGEHTFOXTZBTCQ-CPUCHLNUSA-N 1 0 333.388 1.744 20 5 EDBDRO O=C(CN1CCC([NH2+]CC2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000261760604 139223854 /nfs/dbraw/zinc/22/38/54/139223854.db2.gz VUQBOHYNKPKJJP-UHFFFAOYSA-N 1 0 332.404 1.997 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CC[NH2+]CC2(C)C)c1C ZINC000261794121 139226624 /nfs/dbraw/zinc/22/66/24/139226624.db2.gz VFZHYNAFPIOCDI-CQSZACIVSA-N 1 0 341.433 1.878 20 5 EDBDRO CN(c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261798337 139227062 /nfs/dbraw/zinc/22/70/62/139227062.db2.gz UMSNCWFSIFWYMX-FOSCPWQOSA-N 1 0 339.417 1.718 20 5 EDBDRO COc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c([N+](=O)[O-])cc1OC ZINC000261900200 139235268 /nfs/dbraw/zinc/23/52/68/139235268.db2.gz WGSXQUFTSFEKRQ-TXEJJXNPSA-N 1 0 349.387 1.684 20 5 EDBDRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261865843 139232541 /nfs/dbraw/zinc/23/25/41/139232541.db2.gz GLWVSYBCUDNDRQ-ZDUSSCGKSA-N 1 0 327.406 1.628 20 5 EDBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000098117621 535458852 /nfs/dbraw/zinc/45/88/52/535458852.db2.gz BCGIVBYZNJZUAK-UHFFFAOYSA-N 1 0 333.435 1.761 20 5 EDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262018718 139244299 /nfs/dbraw/zinc/24/42/99/139244299.db2.gz XCXNAVCKTOGBHH-LBPRGKRZSA-N 1 0 329.360 1.510 20 5 EDBDRO COC[C@@]1(CNC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000415444128 250941999 /nfs/dbraw/zinc/94/19/99/250941999.db2.gz RJSZCAUMBZALNZ-HNNXBMFYSA-N 1 0 338.364 1.494 20 5 EDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415568395 304227203 /nfs/dbraw/zinc/22/72/03/304227203.db2.gz QUMSVEDLIVRXJI-DTWKUNHWSA-N 1 0 340.767 1.396 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000415564903 251017486 /nfs/dbraw/zinc/01/74/86/251017486.db2.gz CSQQYTBWWYHBIV-KRWDZBQOSA-N 1 0 348.403 1.602 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000415820733 251031190 /nfs/dbraw/zinc/03/11/90/251031190.db2.gz CASIFKTVYJFLGW-CYBMUJFWSA-N 1 0 334.376 1.475 20 5 EDBDRO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000262263970 139264623 /nfs/dbraw/zinc/26/46/23/139264623.db2.gz RROGRDILZJAAQV-UHFFFAOYSA-N 1 0 341.371 1.581 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417171578 251144139 /nfs/dbraw/zinc/14/41/39/251144139.db2.gz DRANNWSOJLDOFG-DGCLKSJQSA-N 1 0 334.376 1.354 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000262443426 139279321 /nfs/dbraw/zinc/27/93/21/139279321.db2.gz HADXCDIALUHJLB-UWVGGRQHSA-N 1 0 329.378 1.022 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000262560950 139286593 /nfs/dbraw/zinc/28/65/93/139286593.db2.gz VMRVGNUVZUMYTE-WPRPVWTQSA-N 1 0 347.824 1.975 20 5 EDBDRO C[C@@]1(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCC[NH2+]C1 ZINC000420225662 251648015 /nfs/dbraw/zinc/64/80/15/251648015.db2.gz DZHFEWRSOZAOQD-CQSZACIVSA-N 1 0 327.406 1.800 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000420434939 251721326 /nfs/dbraw/zinc/72/13/26/251721326.db2.gz RSQRPQIRCSKTHS-NWDGAFQWSA-N 1 0 327.406 1.630 20 5 EDBDRO CON1CCC([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000421391270 251844232 /nfs/dbraw/zinc/84/42/32/251844232.db2.gz AFGPMKPRHZHMSO-GFCCVEGCSA-N 1 0 336.392 1.927 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000262885733 139310408 /nfs/dbraw/zinc/31/04/08/139310408.db2.gz NYIFVMWCXGJQAL-GHMZBOCLSA-N 1 0 337.376 1.872 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000422761133 251968910 /nfs/dbraw/zinc/96/89/10/251968910.db2.gz LMQPQOLSIIWRDU-MNOVXSKESA-N 1 0 335.360 1.499 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423995721 252111145 /nfs/dbraw/zinc/11/11/45/252111145.db2.gz JOIBYASCMYUGFV-BXUZGUMPSA-N 1 0 349.387 1.828 20 5 EDBDRO C[C@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C[C@H]1C[NH3+] ZINC000424020570 252116093 /nfs/dbraw/zinc/11/60/93/252116093.db2.gz SQKPVGYSNPSEHM-NWDGAFQWSA-N 1 0 344.375 1.232 20 5 EDBDRO Cn1cc([C@@H]2CN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000424224922 252169614 /nfs/dbraw/zinc/16/96/14/252169614.db2.gz LBXYUIHFYQUBQL-CMPLNLGQSA-N 1 0 349.778 1.549 20 5 EDBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000424472426 252244069 /nfs/dbraw/zinc/24/40/69/252244069.db2.gz FHJONHIUGHKJRU-GHMZBOCLSA-N 1 0 332.364 1.540 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000415675246 304254020 /nfs/dbraw/zinc/25/40/20/304254020.db2.gz KYCYLWYHUBUBDQ-CQSZACIVSA-N 1 0 348.403 1.736 20 5 EDBDRO O=[N+]([O-])c1ccc(F)cc1N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000370509634 285118424 /nfs/dbraw/zinc/11/84/24/285118424.db2.gz VPBNMXUVMLKWCW-UHFFFAOYSA-N 1 0 339.367 1.397 20 5 EDBDRO O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000496215274 255365567 /nfs/dbraw/zinc/36/55/67/255365567.db2.gz WVIQCNODDXAMHQ-ZDUSSCGKSA-N 1 0 337.380 1.534 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000117923580 221100444 /nfs/dbraw/zinc/10/04/44/221100444.db2.gz RRWKWYHKQWEKOD-GFCCVEGCSA-N 1 0 341.433 1.729 20 5 EDBDRO CC[N@@H+]1CCCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000118825978 221190767 /nfs/dbraw/zinc/19/07/67/221190767.db2.gz KJSMKVODQNMLHP-UHFFFAOYSA-N 1 0 336.392 1.570 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000154755852 224300579 /nfs/dbraw/zinc/30/05/79/224300579.db2.gz HYWSJSWYJYIYFL-KGLIPLIRSA-N 1 0 335.408 1.433 20 5 EDBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000264170461 139384409 /nfs/dbraw/zinc/38/44/09/139384409.db2.gz KKGMWCOIRJDEEQ-UHFFFAOYSA-N 1 0 333.388 1.970 20 5 EDBDRO CN(CC1CC[NH+](C)CC1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000264227857 139388426 /nfs/dbraw/zinc/38/84/26/139388426.db2.gz QWKKTTULMFMTND-UHFFFAOYSA-N 1 0 342.421 1.020 20 5 EDBDRO Cc1cccc(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000268487490 139788319 /nfs/dbraw/zinc/78/83/19/139788319.db2.gz QLSWVJRUKMXGDT-UHFFFAOYSA-N 1 0 335.404 1.868 20 5 EDBDRO CS[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000270577122 140127455 /nfs/dbraw/zinc/12/74/55/140127455.db2.gz PNBFDVMKIDCQGW-STQMWFEESA-N 1 0 345.446 1.261 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCOCC23CCCC3)c1 ZINC000270646189 140140421 /nfs/dbraw/zinc/14/04/21/140140421.db2.gz NYIXXZRIYDNFDV-OAHLLOKOSA-N 1 0 336.388 1.980 20 5 EDBDRO CS[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1[NH+](C)C ZINC000270984599 140213733 /nfs/dbraw/zinc/21/37/33/140213733.db2.gz DFIDAJSQJBQKHD-GJZGRUSLSA-N 1 0 337.445 1.950 20 5 EDBDRO Cc1ccc(C[NH+]2CCC(C(=O)NCCCO)CC2)cc1[N+](=O)[O-] ZINC000271056471 140228053 /nfs/dbraw/zinc/22/80/53/140228053.db2.gz TYQUTPOPKZMMAE-UHFFFAOYSA-N 1 0 335.404 1.614 20 5 EDBDRO C[C@]1(CCCO)CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000271195464 140254565 /nfs/dbraw/zinc/25/45/65/140254565.db2.gz OJPIMNCTSNJJCQ-NVXWUHKLSA-N 1 0 338.404 1.962 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1F ZINC000271517843 140306144 /nfs/dbraw/zinc/30/61/44/140306144.db2.gz ZOYSOUCPPLEDHI-GXFFZTMASA-N 1 0 345.396 1.613 20 5 EDBDRO C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000271859415 140362473 /nfs/dbraw/zinc/36/24/73/140362473.db2.gz NUUGLASEKOLPQZ-VXGBXAGGSA-N 1 0 343.405 1.030 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000331848142 141088612 /nfs/dbraw/zinc/08/86/12/141088612.db2.gz GUOKJDQXXFCVSU-MRXNPFEDSA-N 1 0 337.424 1.103 20 5 EDBDRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331971653 141104991 /nfs/dbraw/zinc/10/49/91/141104991.db2.gz URJUUZBQKAGZOJ-AWEZNQCLSA-N 1 0 335.408 1.829 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000332259270 141148402 /nfs/dbraw/zinc/14/84/02/141148402.db2.gz DHGJOBFJXRDXOR-BMIGLBTASA-N 1 0 339.342 1.968 20 5 EDBDRO C[NH+]1CCC(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000332457253 141185205 /nfs/dbraw/zinc/18/52/05/141185205.db2.gz GUMXYWWVWDRPNG-UHFFFAOYSA-N 1 0 335.360 1.438 20 5 EDBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332678843 141227891 /nfs/dbraw/zinc/22/78/91/141227891.db2.gz UEEMUSWNUOMBSC-JTQLQIEISA-N 1 0 325.315 1.722 20 5 EDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000340022131 142237578 /nfs/dbraw/zinc/23/75/78/142237578.db2.gz JNIXJVCCBLPGMH-AWEZNQCLSA-N 1 0 348.447 1.625 20 5 EDBDRO CNC(=O)CN1CCC([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000344790873 143012248 /nfs/dbraw/zinc/01/22/48/143012248.db2.gz JZCZUUILCATFGT-GXDHUFHOSA-N 1 0 346.431 1.798 20 5 EDBDRO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000345564613 143106360 /nfs/dbraw/zinc/10/63/60/143106360.db2.gz ZMHAAALVAZTCOF-HZPDHXFCSA-N 1 0 348.403 1.850 20 5 EDBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346205710 143178834 /nfs/dbraw/zinc/17/88/34/143178834.db2.gz VHNWLWXIKLGVCZ-LOWVWBTDSA-N 1 0 334.376 1.498 20 5 EDBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000346493231 143210783 /nfs/dbraw/zinc/21/07/83/143210783.db2.gz SPOYWRYQWXIOIO-FZMZJTMJSA-N 1 0 343.405 1.030 20 5 EDBDRO CNc1c(C(=O)N(C)C[C@H]2C[C@@H](OC)C[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000346700409 143234029 /nfs/dbraw/zinc/23/40/29/143234029.db2.gz PSEXBMJHURUGNB-VXGBXAGGSA-N 1 0 336.392 1.428 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000347369893 143313594 /nfs/dbraw/zinc/31/35/94/143313594.db2.gz UOPUXOZSJIFNJM-AWEZNQCLSA-N 1 0 335.408 1.623 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000351490437 143571665 /nfs/dbraw/zinc/57/16/65/143571665.db2.gz FDDUAAWEPKZZIK-GXSJLCMTSA-N 1 0 338.339 1.271 20 5 EDBDRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000353099778 149285551 /nfs/dbraw/zinc/28/55/51/149285551.db2.gz SIPKLDDAJYBYJC-LLVKDONJSA-N 1 0 333.435 1.560 20 5 EDBDRO CCOc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000353380268 149385931 /nfs/dbraw/zinc/38/59/31/149385931.db2.gz YNUHJJHFZKJHDU-VXGBXAGGSA-N 1 0 349.387 1.684 20 5 EDBDRO COC(=O)CN1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000354887822 150012297 /nfs/dbraw/zinc/01/22/97/150012297.db2.gz CGRYCCVVTOIVOI-ZDUSSCGKSA-N 1 0 349.387 1.518 20 5 EDBDRO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357910762 151192420 /nfs/dbraw/zinc/19/24/20/151192420.db2.gz IGSIPXPNXCQQDX-CQSZACIVSA-N 1 0 343.387 1.819 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358494935 151393889 /nfs/dbraw/zinc/39/38/89/151393889.db2.gz GPPXSKGCVYHOTF-UHFFFAOYSA-N 1 0 332.404 1.917 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000360655640 152140757 /nfs/dbraw/zinc/14/07/57/152140757.db2.gz ZBALNCNFANLWKN-NEPJUHHUSA-N 1 0 327.406 1.664 20 5 EDBDRO Cc1c([C@@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cnn1C ZINC000360847048 152228161 /nfs/dbraw/zinc/22/81/61/152228161.db2.gz GPJSSPLHTOOWKF-ZFWWWQNUSA-N 1 0 334.380 1.031 20 5 EDBDRO Cn1c(C(=O)N2CCC(OCCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000360884907 152241844 /nfs/dbraw/zinc/24/18/44/152241844.db2.gz QMHKVWBAXBTJOC-UHFFFAOYSA-N 1 0 338.408 1.506 20 5 EDBDRO CC[C@H](O)C[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000361262173 152348457 /nfs/dbraw/zinc/34/84/57/152348457.db2.gz RMIJTWFVZZUCLJ-ZDUSSCGKSA-N 1 0 333.392 1.360 20 5 EDBDRO CCO[C@H]1COCC[C@@H]1[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000362023722 152589646 /nfs/dbraw/zinc/58/96/46/152589646.db2.gz HMAMWIIPCDBZPG-BBRMVZONSA-N 1 0 340.376 1.766 20 5 EDBDRO O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000364216692 153177913 /nfs/dbraw/zinc/17/79/13/153177913.db2.gz SCURKZPHXHYYJJ-WBVHZDCISA-N 1 0 330.388 1.243 20 5 EDBDRO COCC[N@@H+]1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000364516992 153256828 /nfs/dbraw/zinc/25/68/28/153256828.db2.gz PRZWLHVTXADQNZ-VOTSOKGWSA-N 1 0 333.388 1.789 20 5 EDBDRO COc1ccc(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000417197755 304383696 /nfs/dbraw/zinc/38/36/96/304383696.db2.gz QHPBWGVUXUQHDZ-STQMWFEESA-N 1 0 334.376 1.354 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000364781112 153331221 /nfs/dbraw/zinc/33/12/21/153331221.db2.gz FYJYQZALJMMCPF-XJKSGUPXSA-N 1 0 335.360 1.699 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417223895 304385489 /nfs/dbraw/zinc/38/54/89/304385489.db2.gz HIYUVYVXDKUZEH-SOUVJXGZSA-N 1 0 332.404 1.825 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417235613 304386717 /nfs/dbraw/zinc/38/67/17/304386717.db2.gz RUPPKOSCFKNKLX-QGZVFWFLSA-N 1 0 332.404 1.922 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000366854382 153940453 /nfs/dbraw/zinc/94/04/53/153940453.db2.gz DHYZEZNXAFDHLT-XJKSGUPXSA-N 1 0 333.388 1.964 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1C ZINC000367773750 154263086 /nfs/dbraw/zinc/26/30/86/154263086.db2.gz VJDWLUGJZCKPAI-QWRGUYRKSA-N 1 0 331.369 1.190 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1c2ccccc2CC[C@H]1CO ZINC000373810981 157014435 /nfs/dbraw/zinc/01/44/35/157014435.db2.gz CXSRMLDAMLLAFB-KBXCAEBGSA-N 1 0 343.383 1.642 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000575175607 306666389 /nfs/dbraw/zinc/66/63/89/306666389.db2.gz BEVLEGXHAIUSMW-VBQJREDUSA-N 1 0 336.388 1.882 20 5 EDBDRO C[NH+]1CCC2(CCCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC000374101541 157142452 /nfs/dbraw/zinc/14/24/52/157142452.db2.gz KDRNAZVWWYJEKW-UHFFFAOYSA-N 1 0 348.403 1.091 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CCOC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000374380907 157268163 /nfs/dbraw/zinc/26/81/63/157268163.db2.gz PHWTVEJLQHCSOH-LBPRGKRZSA-N 1 0 337.376 1.900 20 5 EDBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000408051144 158250517 /nfs/dbraw/zinc/25/05/17/158250517.db2.gz IIGLLUISTXKCBC-FRRDWIJNSA-N 1 0 335.408 1.806 20 5 EDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000417929372 304433168 /nfs/dbraw/zinc/43/31/68/304433168.db2.gz AAQBFRSRRIAODC-LBPRGKRZSA-N 1 0 328.319 1.434 20 5 EDBDRO CC[NH+](CC)CCS(=O)(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000352322960 162117073 /nfs/dbraw/zinc/11/70/73/162117073.db2.gz WICQEYZNHUGZPO-UHFFFAOYSA-N 1 0 344.437 1.268 20 5 EDBDRO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC[N@@H+]1C[C@@H](C)O ZINC000352417912 162171502 /nfs/dbraw/zinc/17/15/02/162171502.db2.gz WBZCUOGPOFWCOM-HIFRSBDPSA-N 1 0 337.420 1.880 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000124348126 286924876 /nfs/dbraw/zinc/92/48/76/286924876.db2.gz NCAAROWUCDKYNS-ZJUUUORDSA-N 1 0 331.369 1.482 20 5 EDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CC[NH2+]C1 ZINC000342710249 287119710 /nfs/dbraw/zinc/11/97/10/287119710.db2.gz KYEDNZSKAGBJBZ-ZJUUUORDSA-N 1 0 327.768 1.741 20 5 EDBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1(C)CC1 ZINC000162129465 225758859 /nfs/dbraw/zinc/75/88/59/225758859.db2.gz DLTZCZYSTQDWAH-NSHDSACASA-N 1 0 327.406 1.651 20 5 EDBDRO Cc1c(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000122049649 222004410 /nfs/dbraw/zinc/00/44/10/222004410.db2.gz SBARSPYFFGDZLG-ZDUSSCGKSA-N 1 0 334.420 1.517 20 5 EDBDRO C[NH+](C)CCOc1cc(CNC(=O)c2ccccc2[N+](=O)[O-])ccn1 ZINC000124151432 222382948 /nfs/dbraw/zinc/38/29/48/222382948.db2.gz ANBLYIOAUVNOAE-UHFFFAOYSA-N 1 0 344.371 1.860 20 5 EDBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418430839 304494832 /nfs/dbraw/zinc/49/48/32/304494832.db2.gz RTGLOQNADNEACG-YIONKMFJSA-N 1 0 330.388 1.946 20 5 EDBDRO O=C(c1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000420247145 304499237 /nfs/dbraw/zinc/49/92/37/304499237.db2.gz TXHVOCQBRGEGIW-BETUJISGSA-N 1 0 330.388 1.486 20 5 EDBDRO CN(CC1([NH+](C)C)CCC1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000275464951 268346115 /nfs/dbraw/zinc/34/61/15/268346115.db2.gz NESNEUWYRPMFRU-UHFFFAOYSA-N 1 0 342.421 1.163 20 5 EDBDRO Nc1nc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000280124924 268916128 /nfs/dbraw/zinc/91/61/28/268916128.db2.gz ATUJFKMOWKXIEW-OKILXGFUSA-N 1 0 340.387 1.535 20 5 EDBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)NC ZINC000275983541 273139309 /nfs/dbraw/zinc/13/93/09/273139309.db2.gz YKRYUVJIOGUABY-NSHDSACASA-N 1 0 347.462 1.604 20 5 EDBDRO CCOCCOCC[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000276218247 273154033 /nfs/dbraw/zinc/15/40/33/273154033.db2.gz IRBCYTMGDJDUQG-CQSZACIVSA-N 1 0 342.392 1.319 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Oc3ncccc3F)CC2)n1 ZINC000278293289 273258520 /nfs/dbraw/zinc/25/85/20/273258520.db2.gz LEFGJEXRCQRYNG-UHFFFAOYSA-N 1 0 335.339 1.869 20 5 EDBDRO CN(C)c1cc(F)c(C(=O)NCC(C)(C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000279162884 273285096 /nfs/dbraw/zinc/28/50/96/273285096.db2.gz IJVMXNYTSPYHER-UHFFFAOYSA-N 1 0 326.372 1.870 20 5 EDBDRO COc1cc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c([N+](=O)[O-])cc1OC ZINC000280306767 273354778 /nfs/dbraw/zinc/35/47/78/273354778.db2.gz OBOZWKUFIXZDNX-AAEUAGOBSA-N 1 0 340.376 1.347 20 5 EDBDRO COc1cc(OCC(=O)NCC[N@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000280318877 273356304 /nfs/dbraw/zinc/35/63/04/273356304.db2.gz UIOLITKXJISUBY-UHFFFAOYSA-N 1 0 335.360 1.360 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000280649588 273381444 /nfs/dbraw/zinc/38/14/44/273381444.db2.gz NLZDQQPTXSIDMO-UHFFFAOYSA-N 1 0 347.774 1.624 20 5 EDBDRO CN1CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000284254961 274134921 /nfs/dbraw/zinc/13/49/21/274134921.db2.gz LSRNCNQBYATIOD-ULQDDVLXSA-N 1 0 345.403 1.187 20 5 EDBDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000284368340 274177653 /nfs/dbraw/zinc/17/76/53/274177653.db2.gz DWDFODXKURSLNM-AWEZNQCLSA-N 1 0 348.403 1.574 20 5 EDBDRO CCc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)[NH+](C)C)cc1 ZINC000284843959 274355932 /nfs/dbraw/zinc/35/59/32/274355932.db2.gz CFNABIIJBODMHD-AWEZNQCLSA-N 1 0 331.376 1.913 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000267440406 275036159 /nfs/dbraw/zinc/03/61/59/275036159.db2.gz YRHSHOHBITXSNF-LBPRGKRZSA-N 1 0 336.348 1.662 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000285934451 287894511 /nfs/dbraw/zinc/89/45/11/287894511.db2.gz FRHZLSBQJMLWPE-MCYUEQNJSA-N 1 0 348.403 1.216 20 5 EDBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000156620373 277033082 /nfs/dbraw/zinc/03/30/82/277033082.db2.gz CJKCATOWJQNNRD-SNVBAGLBSA-N 1 0 333.797 1.621 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000366952675 277280466 /nfs/dbraw/zinc/28/04/66/277280466.db2.gz QXCBYHGJDZDSTH-CABZTGNLSA-N 1 0 326.284 1.275 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000262268621 277283260 /nfs/dbraw/zinc/28/32/60/277283260.db2.gz VJUYHWATDQTYSY-CYBMUJFWSA-N 1 0 343.387 1.852 20 5 EDBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000286253788 287968180 /nfs/dbraw/zinc/96/81/80/287968180.db2.gz FECNVFREZGPKGM-STQMWFEESA-N 1 0 339.417 1.982 20 5 EDBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000286569560 288036593 /nfs/dbraw/zinc/03/65/93/288036593.db2.gz DXNLXPAMLDLJMZ-WFASDCNBSA-N 1 0 339.417 1.842 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000261743171 288092414 /nfs/dbraw/zinc/09/24/14/288092414.db2.gz OGPZWGXCZRRIQJ-NEPJUHHUSA-N 1 0 338.412 1.038 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000174021746 279037002 /nfs/dbraw/zinc/03/70/02/279037002.db2.gz HYEYSANVIRPMFT-ZDUSSCGKSA-N 1 0 341.433 1.866 20 5 EDBDRO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C1)CCCC2 ZINC000286856998 288105413 /nfs/dbraw/zinc/10/54/13/288105413.db2.gz UPXKRSJAAXNJQB-LLVKDONJSA-N 1 0 344.375 1.789 20 5 EDBDRO C[C@@]1(F)C[NH2+]CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420327430 279167345 /nfs/dbraw/zinc/16/73/45/279167345.db2.gz GGUONWLPPRWMLH-CQSZACIVSA-N 1 0 345.396 1.002 20 5 EDBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(C)cccc3[N+](=O)[O-])C2)CC1 ZINC000194612092 279372265 /nfs/dbraw/zinc/37/22/65/279372265.db2.gz WKDDXYITCZDFTH-HNNXBMFYSA-N 1 0 346.431 1.755 20 5 EDBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000286991328 288132114 /nfs/dbraw/zinc/13/21/14/288132114.db2.gz JZYXBTFLONQONE-CHWSQXEVSA-N 1 0 336.396 1.060 20 5 EDBDRO CC[C@H](O)C[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000287183832 288175468 /nfs/dbraw/zinc/17/54/68/288175468.db2.gz GWLHAQYEUCPKOP-JTQLQIEISA-N 1 0 337.405 1.492 20 5 EDBDRO Cc1c(C(=O)N[C@@H](C)C[NH+](C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000287298777 288203606 /nfs/dbraw/zinc/20/36/06/288203606.db2.gz VFLMNHMGHGAXFP-JTQLQIEISA-N 1 0 332.364 1.164 20 5 EDBDRO Cc1cc(N2CCN3C(=O)NC[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272786488 280561344 /nfs/dbraw/zinc/56/13/44/280561344.db2.gz BIDGWRRFONLTFC-LBPRGKRZSA-N 1 0 327.344 1.665 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000178218157 281012141 /nfs/dbraw/zinc/01/21/41/281012141.db2.gz JKNGBDPCNVEXHV-HNNXBMFYSA-N 1 0 333.436 1.905 20 5 EDBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290282251 288872033 /nfs/dbraw/zinc/87/20/33/288872033.db2.gz ZQWXDAQCOPWZTF-KBPBESRZSA-N 1 0 332.404 1.855 20 5 EDBDRO C[NH+](C)[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000290523907 288911924 /nfs/dbraw/zinc/91/19/24/288911924.db2.gz GQYHJONCYPCHEF-CYBMUJFWSA-N 1 0 347.350 1.943 20 5 EDBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000291696093 289153152 /nfs/dbraw/zinc/15/31/52/289153152.db2.gz DWLAACARAGNVOL-INIZCTEOSA-N 1 0 332.360 1.088 20 5 EDBDRO COC[C@H](C)OC[C@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292208705 289289198 /nfs/dbraw/zinc/28/91/98/289289198.db2.gz TUDMQXKRVILKEH-QWHCGFSZSA-N 1 0 326.393 1.832 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH+](C)C)cc1OC ZINC000292414006 289340804 /nfs/dbraw/zinc/34/08/04/289340804.db2.gz PKROFJFCMXXZND-LLVKDONJSA-N 1 0 339.392 1.930 20 5 EDBDRO COc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000292553115 289379604 /nfs/dbraw/zinc/37/96/04/289379604.db2.gz HRQLUMOXXSUZEM-SNVBAGLBSA-N 1 0 331.394 1.079 20 5 EDBDRO C[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)[C@@H]1c1ccccc1 ZINC000179222208 290213245 /nfs/dbraw/zinc/21/32/45/290213245.db2.gz YCQKUUWEULTMGZ-GJZGRUSLSA-N 1 0 342.355 1.871 20 5 EDBDRO [NH2+]=C(NO)[C@H]1CCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000374170756 295007224 /nfs/dbraw/zinc/00/72/24/295007224.db2.gz CKMZRAGEIUQTND-GFCCVEGCSA-N 1 0 346.347 1.955 20 5 EDBDRO [NH3+]C1CCC(NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000332537589 295210989 /nfs/dbraw/zinc/21/09/89/295210989.db2.gz JUAWROKKICBSMT-UHFFFAOYSA-N 1 0 348.407 1.091 20 5 EDBDRO NS(=O)(=O)c1cc(NC[C@@H]2CCC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000420273047 304741461 /nfs/dbraw/zinc/74/14/61/304741461.db2.gz DVYLQWZJMKOLHF-NXEZZACHSA-N 1 0 328.394 1.172 20 5 EDBDRO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420465619 304761482 /nfs/dbraw/zinc/76/14/82/304761482.db2.gz VXCJJSRYFXHFLP-OCCSQVGLSA-N 1 0 327.406 1.184 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000262522347 302046017 /nfs/dbraw/zinc/04/60/17/302046017.db2.gz OHDUANYXKQZWIX-VXGBXAGGSA-N 1 0 325.390 1.276 20 5 EDBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000294107598 303063724 /nfs/dbraw/zinc/06/37/24/303063724.db2.gz KZUWHIMHOXFEMR-KRWDZBQOSA-N 1 0 333.388 1.918 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2CCCN(C=O)CC2)cccc1[N+](=O)[O-] ZINC000294307385 303089280 /nfs/dbraw/zinc/08/92/80/303089280.db2.gz VOIMQXXIBWXERI-UHFFFAOYSA-N 1 0 334.376 1.396 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000294764153 303144552 /nfs/dbraw/zinc/14/45/52/303144552.db2.gz FHUIEFBOASZGNW-JSGCOSHPSA-N 1 0 348.403 1.362 20 5 EDBDRO CN(C)c1ncccc1O[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000295664367 303249295 /nfs/dbraw/zinc/24/92/95/303249295.db2.gz AQWXFPIRSYGEAF-CYBMUJFWSA-N 1 0 346.391 1.406 20 5 EDBDRO C[C@H]1CSC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000296349952 303312479 /nfs/dbraw/zinc/31/24/79/303312479.db2.gz IYIKFXBJOVRYEC-GWCFXTLKSA-N 1 0 345.446 1.214 20 5 EDBDRO C[C@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000296676807 303330775 /nfs/dbraw/zinc/33/07/75/303330775.db2.gz HPYREJIQTYEREU-HOCLYGCPSA-N 1 0 349.431 1.751 20 5 EDBDRO [NH3+][C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[C@@H]1c1ccc(F)cc1 ZINC000297110898 303360414 /nfs/dbraw/zinc/36/04/14/303360414.db2.gz FVYIVWCELXJITK-KGLIPLIRSA-N 1 0 347.350 1.274 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])C[C@H]12 ZINC000248646865 303472318 /nfs/dbraw/zinc/47/23/18/303472318.db2.gz SSQUNUMUULDRSU-DVVUODLYSA-N 1 0 345.808 1.606 20 5 EDBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000377740083 447331063 /nfs/dbraw/zinc/33/10/63/447331063.db2.gz CLOBPTWCYIPYQQ-CHWSQXEVSA-N 1 0 341.371 1.462 20 5 EDBDRO C[C@@H]1C[NH+](CCCNc2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H](C)O1 ZINC000301848200 303699738 /nfs/dbraw/zinc/69/97/38/303699738.db2.gz VJKPBKXRPQNLMD-VXGBXAGGSA-N 1 0 334.380 1.549 20 5 EDBDRO C[NH+](C)C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2OC(F)F)CCO1 ZINC000302072245 303711289 /nfs/dbraw/zinc/71/12/89/303711289.db2.gz ZDXOUVAUUAYHLF-LLVKDONJSA-N 1 0 331.319 1.963 20 5 EDBDRO [NH3+]CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)F ZINC000394757473 303854347 /nfs/dbraw/zinc/85/43/47/303854347.db2.gz BRSQGKKBQLUTCL-QMMMGPOBSA-N 1 0 343.739 1.509 20 5 EDBDRO C[C@H]([NH2+][C@@H](CO)[C@H]1CCCOC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000411993702 303947966 /nfs/dbraw/zinc/94/79/66/303947966.db2.gz LXZDCSOCQRASGC-HUBLWGQQSA-N 1 0 337.376 1.299 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCc3nnnn3CC2)n1 ZINC000421875492 304816900 /nfs/dbraw/zinc/81/69/00/304816900.db2.gz JXOSBXADQHJJKK-RWMBFGLXSA-N 1 0 346.395 1.256 20 5 EDBDRO C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[NH2+]C1 ZINC000428965352 305021182 /nfs/dbraw/zinc/02/11/82/305021182.db2.gz RDCJSPNBFZMOQG-STQMWFEESA-N 1 0 343.387 1.898 20 5 EDBDRO COc1ccc(NC(=O)CN2CCC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430968852 305071630 /nfs/dbraw/zinc/07/16/30/305071630.db2.gz XPKBORMCCOOGHT-VXGBXAGGSA-N 1 0 336.392 1.601 20 5 EDBDRO O=C(NCCC[NH+]1CCCC1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000435700429 305145777 /nfs/dbraw/zinc/14/57/77/305145777.db2.gz HNVGKSNFMPAVTG-UHFFFAOYSA-N 1 0 346.391 1.756 20 5 EDBDRO Cn1c(C(=O)N2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000437737373 305178916 /nfs/dbraw/zinc/17/89/16/305178916.db2.gz PAJGXMIWZCZRFT-DYEKYZERSA-N 1 0 336.392 1.257 20 5 EDBDRO CC(C)[C@@H]([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000440738535 305212108 /nfs/dbraw/zinc/21/21/08/305212108.db2.gz NOXKGXCZUBDLOX-NSHDSACASA-N 1 0 338.389 1.405 20 5 EDBDRO COC(=O)[C@H](O)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000441265047 305219784 /nfs/dbraw/zinc/21/97/84/305219784.db2.gz RHFXPXYOJZNBML-OAHLLOKOSA-N 1 0 338.360 1.220 20 5 EDBDRO CC(C)N1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000447577947 305282503 /nfs/dbraw/zinc/28/25/03/305282503.db2.gz CFGGNOFJJZXMLN-MCIONIFRSA-N 1 0 335.408 1.874 20 5 EDBDRO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451404457 305344040 /nfs/dbraw/zinc/34/40/40/305344040.db2.gz GKXLRLKGCYKUTQ-FOGDFJRCSA-N 1 0 336.314 1.815 20 5 EDBDRO COCCOC[C@@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545998 305352534 /nfs/dbraw/zinc/35/25/34/305352534.db2.gz IMKDOBWDHJZCDW-RDJZCZTQSA-N 1 0 338.404 1.798 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451630451 305357504 /nfs/dbraw/zinc/35/75/04/305357504.db2.gz LQRLSJLAUJKVGW-TYNCELHUSA-N 1 0 348.403 1.566 20 5 EDBDRO Cc1c(CC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cccc1[N+](=O)[O-] ZINC000452363928 305392949 /nfs/dbraw/zinc/39/29/49/305392949.db2.gz AARGADCTBGJGTO-HNNXBMFYSA-N 1 0 335.404 1.409 20 5 EDBDRO C[NH+](C)CC(C)(C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000457226111 305484720 /nfs/dbraw/zinc/48/47/20/305484720.db2.gz UFIGPIXLQXKSLH-UHFFFAOYSA-N 1 0 336.392 1.171 20 5 EDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000493856207 305629885 /nfs/dbraw/zinc/62/98/85/305629885.db2.gz LJBGHWANERRPII-AJHXJQRKSA-N 1 0 333.388 1.571 20 5 EDBDRO CCOc1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000494902179 305633373 /nfs/dbraw/zinc/63/33/73/305633373.db2.gz OTBBPJTVKXHRRD-WCQYABFASA-N 1 0 349.387 1.826 20 5 EDBDRO CCOc1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000494902177 305633375 /nfs/dbraw/zinc/63/33/75/305633375.db2.gz OTBBPJTVKXHRRD-AAEUAGOBSA-N 1 0 349.387 1.826 20 5 EDBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000521445183 305789622 /nfs/dbraw/zinc/78/96/22/305789622.db2.gz CSPRSKRVMDOWMK-OCCSQVGLSA-N 1 0 341.433 1.539 20 5 EDBDRO C[C@@H](Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O)C(C)(C)C[NH+](C)C ZINC000531582772 305962079 /nfs/dbraw/zinc/96/20/79/305962079.db2.gz HOSRJNWKGRRGEX-SNVBAGLBSA-N 1 0 344.437 1.630 20 5 EDBDRO CC(C)(NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000551815194 306162652 /nfs/dbraw/zinc/16/26/52/306162652.db2.gz IWFZDAOWZLXXOU-OAHLLOKOSA-N 1 0 332.404 1.336 20 5 EDBDRO CCn1cc(CC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000551899795 306166777 /nfs/dbraw/zinc/16/67/77/306166777.db2.gz PDFCCHYJXPRRBE-UHFFFAOYSA-N 1 0 330.392 1.571 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H](CO)[C@H](O)C3)o2)c1 ZINC000554742180 306197278 /nfs/dbraw/zinc/19/72/78/306197278.db2.gz ULINFNQOVSSJEH-UKRRQHHQSA-N 1 0 347.371 1.467 20 5 EDBDRO C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554876336 306198893 /nfs/dbraw/zinc/19/88/93/306198893.db2.gz GSOILSVHXBPPCF-JSGCOSHPSA-N 1 0 343.387 1.958 20 5 EDBDRO C[NH2+][C@H](C)CNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000414964098 447376356 /nfs/dbraw/zinc/37/63/56/447376356.db2.gz BXHNVYUASVBOTA-SECBINFHSA-N 1 0 333.335 1.945 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000044670877 440869243 /nfs/dbraw/zinc/86/92/43/440869243.db2.gz KJADJKUOXSCJPD-CYBMUJFWSA-N 1 0 335.360 1.596 20 5 EDBDRO Cc1nn(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000007391559 441050101 /nfs/dbraw/zinc/05/01/01/441050101.db2.gz NTLYSDVJOPDDLD-OAHLLOKOSA-N 1 0 345.403 1.827 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000046091698 441081489 /nfs/dbraw/zinc/08/14/89/441081489.db2.gz ADSHWCUMPHKLEB-XJKSGUPXSA-N 1 0 336.388 1.835 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000046947898 441139803 /nfs/dbraw/zinc/13/98/03/441139803.db2.gz HNAIKTHKVMHKFK-LBPRGKRZSA-N 1 0 335.408 1.054 20 5 EDBDRO Nc1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000047423498 441185706 /nfs/dbraw/zinc/18/57/06/441185706.db2.gz NBTYCEDHXYODTJ-UHFFFAOYSA-N 1 0 348.403 1.361 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000059386183 441227957 /nfs/dbraw/zinc/22/79/57/441227957.db2.gz FHQZEHXJWAVTQR-IRXDYDNUSA-N 1 0 349.431 1.895 20 5 EDBDRO CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000018058418 441247055 /nfs/dbraw/zinc/24/70/55/441247055.db2.gz BSYKDYVMXMCKTQ-UHFFFAOYSA-N 1 0 342.421 1.529 20 5 EDBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C(N)=O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000106444263 441343637 /nfs/dbraw/zinc/34/36/37/441343637.db2.gz NIHZXSIROMBASS-AWEZNQCLSA-N 1 0 336.392 1.721 20 5 EDBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000074288300 441416107 /nfs/dbraw/zinc/41/61/07/441416107.db2.gz IAPGOVBOIWODQL-RYUDHWBXSA-N 1 0 327.406 1.656 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[NH+](C3CCCC3)CC2)c1 ZINC000028918992 441441411 /nfs/dbraw/zinc/44/14/11/441441411.db2.gz QQGMEJRCPBFSKO-QGZVFWFLSA-N 1 0 349.431 1.895 20 5 EDBDRO NC(=O)C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000052826559 441477060 /nfs/dbraw/zinc/47/70/60/441477060.db2.gz DWQKYWSRAIRGBC-CQSZACIVSA-N 1 0 337.376 1.064 20 5 EDBDRO C[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000087356931 441488771 /nfs/dbraw/zinc/48/87/71/441488771.db2.gz CIXLHVYHCBVGEG-CQSZACIVSA-N 1 0 334.420 1.280 20 5 EDBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cn[nH]c1 ZINC000085824700 441451776 /nfs/dbraw/zinc/45/17/76/441451776.db2.gz SFMLKKHZQBECKS-UHFFFAOYSA-N 1 0 331.332 1.748 20 5 EDBDRO CC[C@@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000029623212 441466311 /nfs/dbraw/zinc/46/63/11/441466311.db2.gz CAYUASSFYZINHR-NSHDSACASA-N 1 0 342.421 1.529 20 5 EDBDRO CNC(=O)c1ccc(NCCCC[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000053560600 441530674 /nfs/dbraw/zinc/53/06/74/441530674.db2.gz NMLIKJBIRKPUTH-UHFFFAOYSA-N 1 0 349.435 1.394 20 5 EDBDRO CC[NH+]1CCN(CCC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000088349469 441504860 /nfs/dbraw/zinc/50/48/60/441504860.db2.gz QZXYDXYOSOYPLM-UHFFFAOYSA-N 1 0 346.431 1.507 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+](CC2CC2)CC1 ZINC000053237030 441507329 /nfs/dbraw/zinc/50/73/29/441507329.db2.gz BMLXUDCXWCQKNT-UHFFFAOYSA-N 1 0 348.403 1.570 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000109849504 441510307 /nfs/dbraw/zinc/51/03/07/441510307.db2.gz USLMAMIILSAQAC-LLVKDONJSA-N 1 0 335.360 1.453 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[NH+](C)C)cc1OC ZINC000033093793 441588462 /nfs/dbraw/zinc/58/84/62/441588462.db2.gz RYWLJTANZQXKGS-JTQLQIEISA-N 1 0 325.365 1.682 20 5 EDBDRO CO[C@]1(C)C[C@@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000076152174 441604193 /nfs/dbraw/zinc/60/41/93/441604193.db2.gz XZWIFAMHLLZRDR-GZBFAFLISA-N 1 0 326.397 1.288 20 5 EDBDRO Nc1nc(NC2CC[NH+](Cc3ccccn3)CC2)ncc1[N+](=O)[O-] ZINC000076836243 441688501 /nfs/dbraw/zinc/68/85/01/441688501.db2.gz YDIQOLVXZYTLJW-UHFFFAOYSA-N 1 0 329.364 1.439 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000091457273 441703183 /nfs/dbraw/zinc/70/31/83/441703183.db2.gz HODFSCQHLCZJSG-NSHDSACASA-N 1 0 342.421 1.386 20 5 EDBDRO CCC[N@@H+]1CC[C@H](CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000091457549 441703401 /nfs/dbraw/zinc/70/34/01/441703401.db2.gz GSBFUAZWSWMVIM-LLVKDONJSA-N 1 0 342.421 1.386 20 5 EDBDRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000041668537 441667025 /nfs/dbraw/zinc/66/70/25/441667025.db2.gz BLIATTNUABXWOX-GFCCVEGCSA-N 1 0 334.376 1.381 20 5 EDBDRO C[C@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000068103653 441732083 /nfs/dbraw/zinc/73/20/83/441732083.db2.gz MYXUWRRQWAOHCS-CYBMUJFWSA-N 1 0 348.403 1.173 20 5 EDBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000138804440 441797818 /nfs/dbraw/zinc/79/78/18/441797818.db2.gz JYQFBLJLTSWGJP-STQMWFEESA-N 1 0 338.412 1.061 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000068439714 441799107 /nfs/dbraw/zinc/79/91/07/441799107.db2.gz SSIZYTHONKUUSI-LBPRGKRZSA-N 1 0 337.424 1.726 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139119222 441805614 /nfs/dbraw/zinc/80/56/14/441805614.db2.gz DQCNCADJAXCGLG-UHFFFAOYSA-N 1 0 329.784 1.946 20 5 EDBDRO Cc1ccc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000122002699 441826923 /nfs/dbraw/zinc/82/69/23/441826923.db2.gz VOIIMOZYDBYZEA-ZDUSSCGKSA-N 1 0 334.420 1.517 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415441029 447442716 /nfs/dbraw/zinc/44/27/16/447442716.db2.gz MZDAMRIQRKZYLE-VXGBXAGGSA-N 1 0 334.376 1.428 20 5 EDBDRO COc1ccccc1CN1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174844609 441974401 /nfs/dbraw/zinc/97/44/01/441974401.db2.gz UISUWFONFHWWGT-UHFFFAOYSA-N 1 0 345.403 1.618 20 5 EDBDRO CN1CCC(CNc2ncc([N+](=O)[O-])c(N)n2)([NH+]2CCCCC2)CC1 ZINC000078457687 441933272 /nfs/dbraw/zinc/93/32/72/441933272.db2.gz ZOZKCYDIIAQOOX-UHFFFAOYSA-N 1 0 349.439 1.329 20 5 EDBDRO CC[NH+](CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000078493368 441938188 /nfs/dbraw/zinc/93/81/88/441938188.db2.gz ZYROZNZLEQFHLV-UHFFFAOYSA-N 1 0 338.383 1.724 20 5 EDBDRO CN(C(=O)CN1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000150763027 441946351 /nfs/dbraw/zinc/94/63/51/441946351.db2.gz MSZZTHIFLLKDSU-HNNXBMFYSA-N 1 0 346.431 1.975 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000161050715 441951460 /nfs/dbraw/zinc/95/14/60/441951460.db2.gz YUZKSAVIHBORQQ-LBPRGKRZSA-N 1 0 327.406 1.584 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000124897088 441965084 /nfs/dbraw/zinc/96/50/84/441965084.db2.gz DIHWXLPSODVTRD-ZDUSSCGKSA-N 1 0 341.433 1.746 20 5 EDBDRO CNC(=O)CC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000175020608 441995910 /nfs/dbraw/zinc/99/59/10/441995910.db2.gz ABLWRQUHEGUGEA-UHFFFAOYSA-N 1 0 348.403 1.772 20 5 EDBDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176221272 442194927 /nfs/dbraw/zinc/19/49/27/442194927.db2.gz BWMZIRQXKVXPSA-ZIAGYGMSSA-N 1 0 337.424 1.808 20 5 EDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000170969677 442295067 /nfs/dbraw/zinc/29/50/67/442295067.db2.gz NZVNNPIOMYMUSD-CYBMUJFWSA-N 1 0 343.387 1.852 20 5 EDBDRO C[NH+]1CCC(CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000129022496 442299119 /nfs/dbraw/zinc/29/91/19/442299119.db2.gz YKMPMKSUIIWVTM-UHFFFAOYSA-N 1 0 344.375 1.247 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177128655 442302320 /nfs/dbraw/zinc/30/23/20/442302320.db2.gz XXUDCVGFOZOVPQ-MWLCHTKSSA-N 1 0 334.332 1.858 20 5 EDBDRO Cc1nn(C)c(C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000154135318 442323301 /nfs/dbraw/zinc/32/33/01/442323301.db2.gz XZJKPKHZLULTDD-CYBMUJFWSA-N 1 0 337.424 1.877 20 5 EDBDRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000171752067 442377111 /nfs/dbraw/zinc/37/71/11/442377111.db2.gz NGMFMRNCOTWMQG-CYBMUJFWSA-N 1 0 329.360 1.311 20 5 EDBDRO C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)[N@H+](C)Cc1ccccc1 ZINC000171881221 442387477 /nfs/dbraw/zinc/38/74/77/442387477.db2.gz YXWMZCZSCKKDDM-CYBMUJFWSA-N 1 0 331.376 1.428 20 5 EDBDRO COc1cc(C(=O)NCCC[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000172344943 442447530 /nfs/dbraw/zinc/44/75/30/442447530.db2.gz VIAHFKLLNUBKCT-UHFFFAOYSA-N 1 0 337.376 1.180 20 5 EDBDRO O=C(NCC1=CC[NH2+]CC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000186288150 442505532 /nfs/dbraw/zinc/50/55/32/442505532.db2.gz UGVCNZTULIHIMX-UHFFFAOYSA-N 1 0 328.328 1.086 20 5 EDBDRO CCOC(=O)C1(NC(=O)Cc2ccccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000134324031 442470387 /nfs/dbraw/zinc/47/03/87/442470387.db2.gz RVPSYOWMJSRBBT-UHFFFAOYSA-N 1 0 349.387 1.281 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000172982623 442577290 /nfs/dbraw/zinc/57/72/90/442577290.db2.gz APTYQUAXNJIOEZ-CQSZACIVSA-N 1 0 335.404 1.990 20 5 EDBDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000173273956 442638506 /nfs/dbraw/zinc/63/85/06/442638506.db2.gz PIMXZOIHTNDJAJ-QWRGUYRKSA-N 1 0 345.396 1.837 20 5 EDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000180533945 442618706 /nfs/dbraw/zinc/61/87/06/442618706.db2.gz QKHJXIYRAYZGOQ-VXGBXAGGSA-N 1 0 335.408 1.670 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181410920 442695519 /nfs/dbraw/zinc/69/55/19/442695519.db2.gz KRUIYEXLUCVREH-UHFFFAOYSA-N 1 0 347.318 1.504 20 5 EDBDRO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000187931718 442698955 /nfs/dbraw/zinc/69/89/55/442698955.db2.gz DAILSIVPJJDSLB-FZKQIMNGSA-N 1 0 347.415 1.967 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](CC2CCOCC2)CC1 ZINC000192608448 442668029 /nfs/dbraw/zinc/66/80/29/442668029.db2.gz BXYFUBCRYKOKRG-UHFFFAOYSA-N 1 0 337.424 1.668 20 5 EDBDRO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000193583312 442756305 /nfs/dbraw/zinc/75/63/05/442756305.db2.gz QYHWJQORSHSSAV-GFCCVEGCSA-N 1 0 340.449 1.660 20 5 EDBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000193299166 442730975 /nfs/dbraw/zinc/73/09/75/442730975.db2.gz FMOUGAVYMPREPL-UHFFFAOYSA-N 1 0 349.384 1.538 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000193401048 442739206 /nfs/dbraw/zinc/73/92/06/442739206.db2.gz UWJCKUKXBDNCDX-JOYOIKCWSA-N 1 0 327.406 1.488 20 5 EDBDRO C[C@@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[NH2+]1 ZINC000188405800 442747187 /nfs/dbraw/zinc/74/71/87/442747187.db2.gz LTGHTFTWDHOFHW-CQSZACIVSA-N 1 0 335.407 1.975 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])NCc1ccc2c(c1)C[NH2+]C2 ZINC000188737259 442800298 /nfs/dbraw/zinc/80/02/98/442800298.db2.gz ONUVDTYDJQXSCU-UHFFFAOYSA-N 1 0 327.340 1.893 20 5 EDBDRO C[N@H+]1C[C@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]2C1 ZINC000193618496 442759776 /nfs/dbraw/zinc/75/97/76/442759776.db2.gz RVQGHXVDHYWFEA-BETUJISGSA-N 1 0 329.360 1.638 20 5 EDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000194046266 442836495 /nfs/dbraw/zinc/83/64/95/442836495.db2.gz FDKLXELVBNTWDK-CQSZACIVSA-N 1 0 348.403 1.234 20 5 EDBDRO CC[N@H+](CCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CC1 ZINC000183015606 442865224 /nfs/dbraw/zinc/86/52/24/442865224.db2.gz GIVQGJUNIAQWNE-MRXNPFEDSA-N 1 0 346.387 1.688 20 5 EDBDRO C[C@H]([NH2+]CC(=O)NC(=O)NCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000180426623 318468315 /nfs/dbraw/zinc/46/83/15/318468315.db2.gz WNEQLHQDZKMZRL-NSHDSACASA-N 1 0 346.343 1.864 20 5 EDBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccoc1 ZINC000180941792 318476524 /nfs/dbraw/zinc/47/65/24/318476524.db2.gz JTJMANVZBKSFNL-NSHDSACASA-N 1 0 339.373 1.817 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000268117475 442854889 /nfs/dbraw/zinc/85/48/89/442854889.db2.gz KJAFZHKGARKEGT-NSHDSACASA-N 1 0 325.340 1.665 20 5 EDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265797559 442925113 /nfs/dbraw/zinc/92/51/13/442925113.db2.gz MSUMGLBIPPBOHY-CQSZACIVSA-N 1 0 348.447 1.625 20 5 EDBDRO C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000268270932 442926241 /nfs/dbraw/zinc/92/62/41/442926241.db2.gz SPHVWQLJTSHJHV-CABZTGNLSA-N 1 0 347.824 1.819 20 5 EDBDRO COc1cc(N2CC[NH+](CCC(=O)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000268415029 442980115 /nfs/dbraw/zinc/98/01/15/442980115.db2.gz UZBWIEPAJFXLHW-UHFFFAOYSA-N 1 0 336.392 1.204 20 5 EDBDRO CO[C@@H]1CN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@@H]1C ZINC000249839952 443007109 /nfs/dbraw/zinc/00/71/09/443007109.db2.gz NMORSPWJYZSVJE-NILFDRSVSA-N 1 0 347.371 1.584 20 5 EDBDRO CN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268528998 443022705 /nfs/dbraw/zinc/02/27/05/443022705.db2.gz HRQFVWXWYQFTEB-MRXNPFEDSA-N 1 0 329.404 1.998 20 5 EDBDRO COc1ccc(CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000189881792 443023546 /nfs/dbraw/zinc/02/35/46/443023546.db2.gz YGUXNINETRESBP-ZDUSSCGKSA-N 1 0 337.420 1.880 20 5 EDBDRO C[C@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H]1[NH+](C)C ZINC000266195830 443053761 /nfs/dbraw/zinc/05/37/61/443053761.db2.gz NRLUVSWXARKJBW-LRDDRELGSA-N 1 0 330.388 1.958 20 5 EDBDRO C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](CO)O1 ZINC000190106064 443057840 /nfs/dbraw/zinc/05/78/40/443057840.db2.gz WDUGBARADXKSSF-IUODEOHRSA-N 1 0 347.371 1.874 20 5 EDBDRO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000184803236 443078658 /nfs/dbraw/zinc/07/86/58/443078658.db2.gz VJTXKLTZPKEOSR-WOPDTQHZSA-N 1 0 334.376 1.556 20 5 EDBDRO Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000268892551 443138957 /nfs/dbraw/zinc/13/89/57/443138957.db2.gz YMBOUWJHCONETR-HNNXBMFYSA-N 1 0 332.404 1.646 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000268792882 443109651 /nfs/dbraw/zinc/10/96/51/443109651.db2.gz NGDIDVPQNFBGDZ-GFCCVEGCSA-N 1 0 343.405 1.318 20 5 EDBDRO COc1cc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000237228602 443165204 /nfs/dbraw/zinc/16/52/04/443165204.db2.gz DJINWDPJSGYIAH-VHSXEESVSA-N 1 0 329.378 1.104 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000266507480 443150419 /nfs/dbraw/zinc/15/04/19/443150419.db2.gz CMTIGEVTALJAEK-TZMCWYRMSA-N 1 0 334.351 1.781 20 5 EDBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000269191687 443228240 /nfs/dbraw/zinc/22/82/40/443228240.db2.gz JPUVTGCJIOLARK-KGLIPLIRSA-N 1 0 346.387 1.068 20 5 EDBDRO O=C(CC[N@@H+](CCO)C1CCOCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411610665 319187999 /nfs/dbraw/zinc/18/79/99/319187999.db2.gz YIZAANUJQUBTIW-UHFFFAOYSA-N 1 0 337.376 1.397 20 5 EDBDRO CC(C)(CN1CCOCC1)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000412001258 319220476 /nfs/dbraw/zinc/22/04/76/319220476.db2.gz GNRITDVXQATSET-UHFFFAOYSA-N 1 0 336.392 1.234 20 5 EDBDRO CC[N@@H+]1CC[C@@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000413849853 319293770 /nfs/dbraw/zinc/29/37/70/319293770.db2.gz YWTQUIWOBJFOEK-GFCCVEGCSA-N 1 0 334.376 1.462 20 5 EDBDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1C ZINC000414075950 319315813 /nfs/dbraw/zinc/31/58/13/319315813.db2.gz OHOSTQWOUZDISH-DFBGVHRSSA-N 1 0 341.433 1.897 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]([NH3+])C(C)C)cc1OC ZINC000269271766 443260588 /nfs/dbraw/zinc/26/05/88/443260588.db2.gz MVDSKVSWOYAQJW-LLVKDONJSA-N 1 0 325.365 1.715 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415853764 319378039 /nfs/dbraw/zinc/37/80/39/319378039.db2.gz UYXYUDJICRBKTG-CMPLNLGQSA-N 1 0 334.376 1.285 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000282419714 443334110 /nfs/dbraw/zinc/33/41/10/443334110.db2.gz YNZBQAIUAIDIKM-YJBOKZPZSA-N 1 0 349.431 1.672 20 5 EDBDRO Cn1cccc1[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266950303 443300100 /nfs/dbraw/zinc/30/01/00/443300100.db2.gz UCHGYYGVJQTFBR-ZBFHGGJFSA-N 1 0 333.392 1.718 20 5 EDBDRO COCC[N@@H+]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000269672487 443390018 /nfs/dbraw/zinc/39/00/18/443390018.db2.gz ZJFXEVOIGPYNIA-UHFFFAOYSA-N 1 0 335.404 1.626 20 5 EDBDRO C[C@@H](NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000419132697 319559966 /nfs/dbraw/zinc/55/99/66/319559966.db2.gz DZDCAFVEDMBIAB-VXGBXAGGSA-N 1 0 334.376 1.030 20 5 EDBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000264671336 443368153 /nfs/dbraw/zinc/36/81/53/443368153.db2.gz BBNVOJUYYZWNCI-LBPRGKRZSA-N 1 0 331.376 1.052 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](COc3ccccc3)C2)c1 ZINC000272584090 443372307 /nfs/dbraw/zinc/37/23/07/443372307.db2.gz ONWIVGORVPCSHM-ZBFHGGJFSA-N 1 0 346.387 1.553 20 5 EDBDRO C[NH+](C)C[C@@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000270571739 443476286 /nfs/dbraw/zinc/47/62/86/443476286.db2.gz VMLNSUUFBZLEEA-OAHLLOKOSA-N 1 0 336.392 1.109 20 5 EDBDRO C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272895198 443482210 /nfs/dbraw/zinc/48/22/10/443482210.db2.gz IQGCOXVFRQMZPB-RYUDHWBXSA-N 1 0 335.408 1.711 20 5 EDBDRO C[C@H]1COc2ccccc2C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000272908606 443486194 /nfs/dbraw/zinc/48/61/94/443486194.db2.gz HCUCMBUHYHGVGY-WFASDCNBSA-N 1 0 332.360 1.435 20 5 EDBDRO COC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCO1 ZINC000279023010 443493311 /nfs/dbraw/zinc/49/33/11/443493311.db2.gz GYNZLKBPJYMUSW-HOCLYGCPSA-N 1 0 349.387 1.268 20 5 EDBDRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000272794731 443448305 /nfs/dbraw/zinc/44/83/05/443448305.db2.gz KCFBTVIDXMLYCK-AWEZNQCLSA-N 1 0 344.371 1.420 20 5 EDBDRO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283039861 443504810 /nfs/dbraw/zinc/50/48/10/443504810.db2.gz IHVHLILISATNFL-CQSZACIVSA-N 1 0 344.383 1.968 20 5 EDBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CC[NH2+]C1 ZINC000272968195 443505307 /nfs/dbraw/zinc/50/53/07/443505307.db2.gz BAOVFULLORNQKF-JTQLQIEISA-N 1 0 327.768 1.743 20 5 EDBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000272256007 443570048 /nfs/dbraw/zinc/57/00/48/443570048.db2.gz UIRMWXRAJICHJA-NSHDSACASA-N 1 0 345.396 1.757 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000272199963 443555376 /nfs/dbraw/zinc/55/53/76/443555376.db2.gz AJMIJMHJZLWNNB-CHWSQXEVSA-N 1 0 341.433 1.965 20 5 EDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000275584825 443632619 /nfs/dbraw/zinc/63/26/19/443632619.db2.gz DMNITHKJCJWANL-QWHCGFSZSA-N 1 0 334.376 1.101 20 5 EDBDRO O=C1N[C@@H](Cc2c[nH]cn2)C(=O)N1CCc1ccc([N+](=O)[O-])cc1 ZINC000286120780 443649789 /nfs/dbraw/zinc/64/97/89/443649789.db2.gz YIMIXWSSEZGJDR-ZDUSSCGKSA-N 1 0 329.316 1.024 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c1[N+](=O)[O-] ZINC000440752151 320079418 /nfs/dbraw/zinc/07/94/18/320079418.db2.gz WURDELAOUOKPFE-NWDGAFQWSA-N 1 0 327.406 1.583 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000440862348 320084706 /nfs/dbraw/zinc/08/47/06/320084706.db2.gz JLXYNSCTAMWGCM-VXGBXAGGSA-N 1 0 327.406 1.760 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc([N+](=O)[O-])c1OC ZINC000449705521 320200683 /nfs/dbraw/zinc/20/06/83/320200683.db2.gz KOTGFNOGUUUHRF-CYBMUJFWSA-N 1 0 337.376 1.730 20 5 EDBDRO Cc1c(C(=O)N[C@@H]2CC[NH2+]C2(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000449749040 320204433 /nfs/dbraw/zinc/20/44/33/320204433.db2.gz OITCCPQTHMZOFJ-CYBMUJFWSA-N 1 0 344.375 1.354 20 5 EDBDRO CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000298210508 443721808 /nfs/dbraw/zinc/72/18/08/443721808.db2.gz UUBSCVCKWMPBHT-UHFFFAOYSA-N 1 0 348.403 1.267 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNc1cc(NC[C@H](C)O)ncn1 ZINC000298249809 443729758 /nfs/dbraw/zinc/72/97/58/443729758.db2.gz MXZDYEDQXPICBO-JTQLQIEISA-N 1 0 333.348 1.798 20 5 EDBDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[NH+](C)C ZINC000298604951 443813787 /nfs/dbraw/zinc/81/37/87/443813787.db2.gz PKJWEEFWVPWRQM-MRVPVSSYSA-N 1 0 328.756 1.253 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000530674238 320634940 /nfs/dbraw/zinc/63/49/40/320634940.db2.gz MRDFUEJPEXHFRA-NWDGAFQWSA-N 1 0 349.387 1.969 20 5 EDBDRO C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000288355087 443854118 /nfs/dbraw/zinc/85/41/18/443854118.db2.gz NYONVFYRGIAELB-CQSZACIVSA-N 1 0 335.404 1.564 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC2([NH+](C)C)CCOCC2)n1 ZINC000281236032 443856185 /nfs/dbraw/zinc/85/61/85/443856185.db2.gz SNONYSYBBXMXNO-UHFFFAOYSA-N 1 0 338.364 1.299 20 5 EDBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000288631876 443939289 /nfs/dbraw/zinc/93/92/89/443939289.db2.gz WPPQWVAHLAZMAU-ZDUSSCGKSA-N 1 0 346.387 1.653 20 5 EDBDRO Cc1nn(C)c(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000299010851 443927697 /nfs/dbraw/zinc/92/76/97/443927697.db2.gz CLGLVYBOGRCYCV-NSHDSACASA-N 1 0 337.405 1.731 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)c1F ZINC000285300907 443933275 /nfs/dbraw/zinc/93/32/75/443933275.db2.gz PMTWFRVHHHESOS-UONOGXRCSA-N 1 0 337.351 1.587 20 5 EDBDRO Cc1n[nH]c(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000299444508 444047536 /nfs/dbraw/zinc/04/75/36/444047536.db2.gz MRPXZYHJPBRSEB-UHFFFAOYSA-N 1 0 343.387 1.974 20 5 EDBDRO CC(C)n1cc([C@@]2(O)CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000285536365 444020856 /nfs/dbraw/zinc/02/08/56/444020856.db2.gz PQIYTAVWFZEDQE-MRXNPFEDSA-N 1 0 331.376 1.861 20 5 EDBDRO CC(C)[NH2+]CCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000563099960 321095434 /nfs/dbraw/zinc/09/54/34/321095434.db2.gz IZHAGRNSZXAAEK-UHFFFAOYSA-N 1 0 332.360 1.967 20 5 EDBDRO COc1ccc([C@@H](C)CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000567689237 321252853 /nfs/dbraw/zinc/25/28/53/321252853.db2.gz FYPJMTYMQZOFGH-BBRMVZONSA-N 1 0 348.403 1.944 20 5 EDBDRO O=C1C[C@@H]([NH2+]CC2(O)CCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000571101899 321371383 /nfs/dbraw/zinc/37/13/83/321371383.db2.gz RHTCKMYRCUNHSJ-CYBMUJFWSA-N 1 0 333.344 1.121 20 5 EDBDRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571224932 321378356 /nfs/dbraw/zinc/37/83/56/321378356.db2.gz ONGHTTXZYVNUAB-CQSZACIVSA-N 1 0 341.433 1.843 20 5 EDBDRO C[NH+](C)[C@@H]1CCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000301143150 444148586 /nfs/dbraw/zinc/14/85/86/444148586.db2.gz DKALHGMJUAVXOY-CQSZACIVSA-N 1 0 348.403 1.208 20 5 EDBDRO C[N@H+](CCNc1nc2ccccn2c(=O)c1[N+](=O)[O-])C1CCCC1 ZINC000301191604 444152865 /nfs/dbraw/zinc/15/28/65/444152865.db2.gz LVWLZSNFRHBQDS-UHFFFAOYSA-N 1 0 331.376 1.889 20 5 EDBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCn1cc(CO)nn1)C1CC1 ZINC000289904391 444217627 /nfs/dbraw/zinc/21/76/27/444217627.db2.gz UDBMAKMZKOYEBV-MRXNPFEDSA-N 1 0 345.403 1.680 20 5 EDBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000302632108 444218017 /nfs/dbraw/zinc/21/80/17/444218017.db2.gz JLEAEKXFGXEOKF-LLVKDONJSA-N 1 0 327.406 1.752 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000289910821 444218133 /nfs/dbraw/zinc/21/81/33/444218133.db2.gz VAFDEBSWKAVAIF-UHFFFAOYSA-N 1 0 336.392 1.735 20 5 EDBDRO COc1cc(NC[C@H]2CN(C3CC3)CCO2)c([N+](=O)[O-])cc1OC ZINC000301868229 444194436 /nfs/dbraw/zinc/19/44/36/444194436.db2.gz CDRSCQHWDPUDFL-LBPRGKRZSA-N 1 0 337.376 1.887 20 5 EDBDRO C[C@@H]1C[NH+](CCCCNc2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H](C)O1 ZINC000301973354 444199267 /nfs/dbraw/zinc/19/92/67/444199267.db2.gz UVKVQTYQQKRCAA-CHWSQXEVSA-N 1 0 348.407 1.939 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290023615 444232686 /nfs/dbraw/zinc/23/26/86/444232686.db2.gz FMZUMWNCIPQCJY-CQSZACIVSA-N 1 0 333.388 1.822 20 5 EDBDRO Cc1cccc(O[C@@H](C)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000577172327 321629227 /nfs/dbraw/zinc/62/92/27/321629227.db2.gz PRRFVRNGYABHKH-DZGCQCFKSA-N 1 0 334.376 1.518 20 5 EDBDRO CC(C)[C@@H]([NH3+])CCN(C)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000316642375 444311710 /nfs/dbraw/zinc/31/17/10/444311710.db2.gz OWQOEZDQZGPAHQ-NSHDSACASA-N 1 0 330.410 1.052 20 5 EDBDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000319872396 444326373 /nfs/dbraw/zinc/32/63/73/444326373.db2.gz WNRADBVDEUVVBI-GXSJLCMTSA-N 1 0 331.369 1.447 20 5 EDBDRO COc1ccc(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)nc1 ZINC000298122588 444422933 /nfs/dbraw/zinc/42/29/33/444422933.db2.gz PJODQZACQUCQEA-UHFFFAOYSA-N 1 0 329.360 1.716 20 5 EDBDRO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000580929110 322112771 /nfs/dbraw/zinc/11/27/71/322112771.db2.gz DRWCBLWDVIWAPC-WFASDCNBSA-N 1 0 345.403 1.629 20 5 EDBDRO COC(=O)CN(C)C(=O)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000342317587 444627003 /nfs/dbraw/zinc/62/70/03/444627003.db2.gz DFACOAWTODBXGX-GFCCVEGCSA-N 1 0 337.376 1.575 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCCOC2)cc1 ZINC000342315086 444625849 /nfs/dbraw/zinc/62/58/49/444625849.db2.gz VXWDLEYHZNEWBP-GFCCVEGCSA-N 1 0 328.390 1.385 20 5 EDBDRO CCN1CCC([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000342361269 444654887 /nfs/dbraw/zinc/65/48/87/444654887.db2.gz SLOFWKRIENOWPJ-HNNXBMFYSA-N 1 0 337.420 1.751 20 5 EDBDRO CO[C@H]1C[C@H](CN(C)c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[N@H+](C)C1 ZINC000343869811 444637643 /nfs/dbraw/zinc/63/76/43/444637643.db2.gz CEAGBTFMAURSKK-NEPJUHHUSA-N 1 0 347.375 1.399 20 5 EDBDRO CO[C@@H]1C[C@H](C(N)=O)N(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000344006721 444723509 /nfs/dbraw/zinc/72/35/09/444723509.db2.gz NLXFIPVJISYOEL-IUODEOHRSA-N 1 0 345.355 1.929 20 5 EDBDRO CC(C)[N@H+](C)CCNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000338434988 444694004 /nfs/dbraw/zinc/69/40/04/444694004.db2.gz DTWQEYCXNBKOSS-LBPRGKRZSA-N 1 0 336.392 1.170 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000344026981 444736649 /nfs/dbraw/zinc/73/66/49/444736649.db2.gz KJHACEQUKVCOMK-NJZAAPMLSA-N 1 0 347.371 1.596 20 5 EDBDRO COC(=O)c1cn(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)nn1 ZINC000341252922 444749588 /nfs/dbraw/zinc/74/95/88/444749588.db2.gz HXORTFZQXZHFHF-UHFFFAOYSA-N 1 0 347.375 1.886 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338597874 444767238 /nfs/dbraw/zinc/76/72/38/444767238.db2.gz YLZQRMFCLNPWIT-HNNXBMFYSA-N 1 0 325.340 1.638 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344096993 444779837 /nfs/dbraw/zinc/77/98/37/444779837.db2.gz XPOASDNCSXJBMP-LNSITVRQSA-N 1 0 349.387 1.635 20 5 EDBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000341566869 444898462 /nfs/dbraw/zinc/89/84/62/444898462.db2.gz PUVAWPDURBLFEB-HNNXBMFYSA-N 1 0 334.420 1.420 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN(CCO)[C@@H](C)C1 ZINC000343035704 445019953 /nfs/dbraw/zinc/01/99/53/445019953.db2.gz TWNUABBHSLQGQC-LBPRGKRZSA-N 1 0 337.376 1.193 20 5 EDBDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000330611275 445060932 /nfs/dbraw/zinc/06/09/32/445060932.db2.gz PTEQVSCTNGVAHE-KGLIPLIRSA-N 1 0 345.396 1.684 20 5 EDBDRO COCCN1C(=O)N[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)CC[C@@H]21 ZINC000344597202 445080555 /nfs/dbraw/zinc/08/05/55/445080555.db2.gz XQSRAOJXZMCALK-HOTGVXAUSA-N 1 0 348.403 1.518 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000330691717 445098318 /nfs/dbraw/zinc/09/83/18/445098318.db2.gz ZHDOTFAKJGFELK-ZDUSSCGKSA-N 1 0 327.406 1.618 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCN(C)CC1(C)C ZINC000347215484 445234086 /nfs/dbraw/zinc/23/40/86/445234086.db2.gz JJIKGWJVHLQHPX-UHFFFAOYSA-N 1 0 341.433 1.926 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCN(C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000354487253 445259418 /nfs/dbraw/zinc/25/94/18/445259418.db2.gz GGFTZPVSBHDONB-GFCCVEGCSA-N 1 0 327.406 1.618 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000354623494 445319143 /nfs/dbraw/zinc/31/91/43/445319143.db2.gz PAVXHEMVAXVREH-ZDUSSCGKSA-N 1 0 348.403 1.504 20 5 EDBDRO COc1cc(CSc2nnnn2CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000351830426 445336339 /nfs/dbraw/zinc/33/63/39/445336339.db2.gz RSWJBGJMXXRFRW-UHFFFAOYSA-N 1 0 338.393 1.444 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351857838 445344875 /nfs/dbraw/zinc/34/48/75/445344875.db2.gz CCISVOSTAJYJAZ-WOPDTQHZSA-N 1 0 336.392 1.600 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357094079 445424396 /nfs/dbraw/zinc/42/43/96/445424396.db2.gz YBEYWVKUXZCSSL-ZIAGYGMSSA-N 1 0 332.404 1.773 20 5 EDBDRO COc1cc(C(=O)NCCCC[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000357195285 445475320 /nfs/dbraw/zinc/47/53/20/445475320.db2.gz YCHIXPHUCIDBQU-UHFFFAOYSA-N 1 0 325.365 1.684 20 5 EDBDRO CC(C)(C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)n1cc([N+](=O)[O-])cn1 ZINC000349032569 445482521 /nfs/dbraw/zinc/48/25/21/445482521.db2.gz XMMPWPDKYRNUDJ-LLVKDONJSA-N 1 0 344.375 1.376 20 5 EDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000362601463 445458108 /nfs/dbraw/zinc/45/81/08/445458108.db2.gz TWORQPNZYOETPH-LBPRGKRZSA-N 1 0 335.360 1.119 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000349046658 445487270 /nfs/dbraw/zinc/48/72/70/445487270.db2.gz FQGGNHBMYGHCGH-GFCCVEGCSA-N 1 0 344.375 1.340 20 5 EDBDRO CC(C)[C@](C)(CO)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000352888057 445563127 /nfs/dbraw/zinc/56/31/27/445563127.db2.gz ZFRBFCLUIAEGOD-INIZCTEOSA-N 1 0 337.376 1.889 20 5 EDBDRO Cc1c(C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)cccc1[N+](=O)[O-] ZINC000362826648 445567865 /nfs/dbraw/zinc/56/78/65/445567865.db2.gz PIRGVEDBGTZYBT-OAHLLOKOSA-N 1 0 332.404 1.299 20 5 EDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])cc(F)c1F ZINC000363063168 445665404 /nfs/dbraw/zinc/66/54/04/445665404.db2.gz WDEHETQZBNVLBG-KOLCDFICSA-N 1 0 341.314 1.466 20 5 EDBDRO Cc1c(CNC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000360285335 445676385 /nfs/dbraw/zinc/67/63/85/445676385.db2.gz KEKGMEJHTDHEHF-JSGCOSHPSA-N 1 0 348.403 1.118 20 5 EDBDRO COCc1nccc([C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000363115101 445683906 /nfs/dbraw/zinc/68/39/06/445683906.db2.gz WGAYAMMEOZVIPD-ZDUSSCGKSA-N 1 0 346.391 1.607 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000350684897 445880459 /nfs/dbraw/zinc/88/04/59/445880459.db2.gz MHETXKJWTFARBM-UHFFFAOYSA-N 1 0 336.392 1.263 20 5 EDBDRO COc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3CCO)cc1[N+](=O)[O-] ZINC000369087453 445921874 /nfs/dbraw/zinc/92/18/74/445921874.db2.gz IDNDUNWMLKRHQM-CQSZACIVSA-N 1 0 346.387 1.959 20 5 EDBDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1(C)C ZINC000364763963 445952644 /nfs/dbraw/zinc/95/26/44/445952644.db2.gz IXGWZYRYIMZBTQ-GFCCVEGCSA-N 1 0 335.360 1.325 20 5 EDBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000351143103 446000024 /nfs/dbraw/zinc/00/00/24/446000024.db2.gz RLPBRHXWHALQKN-XUJVJEKNSA-N 1 0 349.387 1.877 20 5 EDBDRO COc1cc(C(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000365105787 446028852 /nfs/dbraw/zinc/02/88/52/446028852.db2.gz RQHRGYPSIWQIJJ-DOTOQJQBSA-N 1 0 349.387 1.956 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000365134812 446046736 /nfs/dbraw/zinc/04/67/36/446046736.db2.gz QSQPGJVZBXYKHX-CQSZACIVSA-N 1 0 335.408 1.495 20 5 EDBDRO C[C@H](CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000583139656 326009926 /nfs/dbraw/zinc/00/99/26/326009926.db2.gz AQCJXDPCAVTRMV-UKRRQHHQSA-N 1 0 325.413 1.006 20 5 EDBDRO C[NH+]1CCN(C[C@@H]2CN(c3ccc([N+](=O)[O-])cc3F)CCO2)CC1 ZINC000365145800 446052388 /nfs/dbraw/zinc/05/23/88/446052388.db2.gz IQBGXBVMQTZUCR-CQSZACIVSA-N 1 0 338.383 1.187 20 5 EDBDRO CCc1ccc(S(=O)(=O)N2CCC[C@@H]([NH2+]C)C2)cc1[N+](=O)[O-] ZINC000583934435 326168939 /nfs/dbraw/zinc/16/89/39/326168939.db2.gz GBMDURGIJZRPOV-GFCCVEGCSA-N 1 0 327.406 1.530 20 5 EDBDRO COc1cc(CN(C)C2CC[NH+](CCO)CC2)c([N+](=O)[O-])cc1F ZINC000361929361 446079225 /nfs/dbraw/zinc/07/92/25/446079225.db2.gz FYGFPSBPBGZCQB-UHFFFAOYSA-N 1 0 341.383 1.631 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000361946847 446096745 /nfs/dbraw/zinc/09/67/45/446096745.db2.gz YUAPOCLHVUIBKQ-HNNXBMFYSA-N 1 0 346.387 1.620 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000362054053 446181354 /nfs/dbraw/zinc/18/13/54/446181354.db2.gz IVMDXGWARKJIQU-NWDGAFQWSA-N 1 0 337.376 1.492 20 5 EDBDRO CS[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1[NH+]1CCCC1 ZINC000362010191 446150856 /nfs/dbraw/zinc/15/08/56/446150856.db2.gz BOVLOADLEDQXSY-OLZOCXBDSA-N 1 0 325.438 1.303 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000366427526 446208764 /nfs/dbraw/zinc/20/87/64/446208764.db2.gz IWIZRCNZTIOKEU-UHOFOFEASA-N 1 0 348.403 1.622 20 5 EDBDRO Cn1cc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000359463858 446239238 /nfs/dbraw/zinc/23/92/38/446239238.db2.gz ZZMVKWWIKCMBFX-ZIAGYGMSSA-N 1 0 327.388 1.647 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CCC[N@@H+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000376176616 446367724 /nfs/dbraw/zinc/36/77/24/446367724.db2.gz XYHXHSKJAKGZHM-UHFFFAOYSA-N 1 0 334.376 1.759 20 5 EDBDRO COC(=O)c1cc(C)nc(NC[C@H]2[NH2+]CCCC2(C)C)c1[N+](=O)[O-] ZINC000420248051 446430570 /nfs/dbraw/zinc/43/05/70/446430570.db2.gz VTPUAYXZZVNQAO-GFCCVEGCSA-N 1 0 336.392 2.275 20 5 EDBDRO CC[C@H]([NH3+])CNc1ccc(C(=O)N[C@H](C)C(=O)OC)cc1[N+](=O)[O-] ZINC000420256103 446435367 /nfs/dbraw/zinc/43/53/67/446435367.db2.gz CGZPHTJDXWAVCA-KOLCDFICSA-N 1 0 338.364 1.035 20 5 EDBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418084486 446435973 /nfs/dbraw/zinc/43/59/73/446435973.db2.gz QLMLVPCIWYXQOO-KOLCDFICSA-N 1 0 332.364 1.411 20 5 EDBDRO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000411175855 446419378 /nfs/dbraw/zinc/41/93/78/446419378.db2.gz FGUDDJZLEGNCQQ-CYBMUJFWSA-N 1 0 348.403 1.751 20 5 EDBDRO Cc1nc(CO[C@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cs1 ZINC000374864390 446422802 /nfs/dbraw/zinc/42/28/02/446422802.db2.gz RTEQMQHDNHGRQP-ZDUSSCGKSA-N 1 0 337.405 1.847 20 5 EDBDRO C[C@@H]1CCCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000420295316 446457400 /nfs/dbraw/zinc/45/74/00/446457400.db2.gz VFQOGDPQRZDUDE-IUODEOHRSA-N 1 0 341.433 1.428 20 5 EDBDRO C[C@H]1[NH2+]CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000420304290 446468734 /nfs/dbraw/zinc/46/87/34/446468734.db2.gz DXYMRGUOJVLUDB-NXEZZACHSA-N 1 0 326.784 1.869 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000376417965 446485553 /nfs/dbraw/zinc/48/55/53/446485553.db2.gz WAALWKIHUAAZGW-LLVKDONJSA-N 1 0 337.376 1.874 20 5 EDBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(O)(CN2CCOCC2)CC1 ZINC000374999762 446504345 /nfs/dbraw/zinc/50/43/45/446504345.db2.gz RYPBIIZTZILGGA-OAHLLOKOSA-N 1 0 349.431 1.815 20 5 EDBDRO Cn1cc([C@@H]2[C@H](CNC(=O)c3ccc([N+](=O)[O-])o3)CCC[N@@H+]2C)cn1 ZINC000370929990 446527446 /nfs/dbraw/zinc/52/74/46/446527446.db2.gz XRICXIWGACGPAE-NHYWBVRUSA-N 1 0 347.375 1.734 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420380326 446556393 /nfs/dbraw/zinc/55/63/93/446556393.db2.gz NUSCNCXJWKUSAN-VXGBXAGGSA-N 1 0 336.392 1.459 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418600470 446610091 /nfs/dbraw/zinc/61/00/91/446610091.db2.gz SNSKIOZTEGNCHK-BXUZGUMPSA-N 1 0 334.376 1.497 20 5 EDBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000420401993 446574866 /nfs/dbraw/zinc/57/48/66/446574866.db2.gz HNIUQWNGCZGUNC-CQSZACIVSA-N 1 0 341.433 1.399 20 5 EDBDRO NC(=O)c1ccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420410581 446582610 /nfs/dbraw/zinc/58/26/10/446582610.db2.gz XZCHRWRIOARINP-ZFWWWQNUSA-N 1 0 332.404 1.658 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000420424364 446598525 /nfs/dbraw/zinc/59/85/25/446598525.db2.gz HWYMTMBIPNFJIX-CYBMUJFWSA-N 1 0 341.433 1.961 20 5 EDBDRO [NH3+]C[C@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000420432312 446607306 /nfs/dbraw/zinc/60/73/06/446607306.db2.gz GZADFCJTKDZXEY-AWEZNQCLSA-N 1 0 341.433 1.574 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000423690935 446643808 /nfs/dbraw/zinc/64/38/08/446643808.db2.gz ZGZLABSEYBKSIJ-BXUZGUMPSA-N 1 0 348.403 1.219 20 5 EDBDRO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000420469939 446645772 /nfs/dbraw/zinc/64/57/72/446645772.db2.gz WGGWVQOGMBFVSA-SNVBAGLBSA-N 1 0 335.813 1.900 20 5 EDBDRO C[N@@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H](c2ccccc2)C1 ZINC000375246376 446668648 /nfs/dbraw/zinc/66/86/48/446668648.db2.gz UAFOTUQYHXWENH-CABCVRRESA-N 1 0 341.371 1.400 20 5 EDBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000376718622 446674196 /nfs/dbraw/zinc/67/41/96/446674196.db2.gz QHTKVPBSFMTTEU-CQSZACIVSA-N 1 0 343.380 1.498 20 5 EDBDRO CN1CC[NH2+]C[C@H]1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418754249 446674909 /nfs/dbraw/zinc/67/49/09/446674909.db2.gz DOKZQFNHTKDNOP-INIZCTEOSA-N 1 0 347.419 1.172 20 5 EDBDRO [NH3+]C[C@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CCCC1 ZINC000418631263 446623958 /nfs/dbraw/zinc/62/39/58/446623958.db2.gz XYAOEULXJZMMPX-INIZCTEOSA-N 1 0 348.403 1.885 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000420453368 446629869 /nfs/dbraw/zinc/62/98/69/446629869.db2.gz JZEQOPMWQJBPCF-YPMHNXCESA-N 1 0 327.406 1.184 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000423663953 446630454 /nfs/dbraw/zinc/63/04/54/446630454.db2.gz DVWBPHOQAJYRTL-HZMBPMFUSA-N 1 0 335.360 1.581 20 5 EDBDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000368188022 446695876 /nfs/dbraw/zinc/69/58/76/446695876.db2.gz KCHQCWIJKIPCLF-ZFWWWQNUSA-N 1 0 333.388 1.419 20 5 EDBDRO C[N@@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000371270171 446730267 /nfs/dbraw/zinc/73/02/67/446730267.db2.gz YCWMOKHHUVWZRW-HOCLYGCPSA-N 1 0 326.356 1.817 20 5 EDBDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000420737309 446782165 /nfs/dbraw/zinc/78/21/65/446782165.db2.gz MIPXNVFCOAXUKX-AWEZNQCLSA-N 1 0 327.406 1.451 20 5 EDBDRO COc1ccc(OCC[N@@H+]2CC[C@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000412024344 446790989 /nfs/dbraw/zinc/79/09/89/446790989.db2.gz BRPYGSQGPDQRSH-LBPRGKRZSA-N 1 0 347.375 1.898 20 5 EDBDRO Cc1nnc([C@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000412047821 446809866 /nfs/dbraw/zinc/80/98/66/446809866.db2.gz VIZXBEPRQMNIQL-LBPRGKRZSA-N 1 0 344.375 1.839 20 5 EDBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000375469042 446823938 /nfs/dbraw/zinc/82/39/38/446823938.db2.gz MOPQMDAFZIGESZ-KRWDZBQOSA-N 1 0 330.388 1.898 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c1F ZINC000412234222 446908092 /nfs/dbraw/zinc/90/80/92/446908092.db2.gz YOJUZCDLOQNADX-QWRGUYRKSA-N 1 0 339.367 1.836 20 5 EDBDRO CC1(C[NH+]2CCOCC2)CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000371546464 446926321 /nfs/dbraw/zinc/92/63/21/446926321.db2.gz ZZOOBVSFINACNQ-UHFFFAOYSA-N 1 0 348.403 1.564 20 5 EDBDRO Cc1nn(CCC(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000368591176 446963085 /nfs/dbraw/zinc/96/30/85/446963085.db2.gz LWSQRDYTEAFDKM-UONOGXRCSA-N 1 0 335.408 1.351 20 5 EDBDRO COc1cc(CN2C[C@H](C(N)=O)[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000420990233 446969954 /nfs/dbraw/zinc/96/99/54/446969954.db2.gz SVTOKFPBDOSPRL-UWVGGRQHSA-N 1 0 347.293 1.699 20 5 EDBDRO CNc1nc(C(=O)NC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000454861908 446988049 /nfs/dbraw/zinc/98/80/49/446988049.db2.gz ODPCBNFLXKFBHH-UHFFFAOYSA-N 1 0 333.392 1.636 20 5 EDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000443367586 447044264 /nfs/dbraw/zinc/04/42/64/447044264.db2.gz IBRBLZZLTKJTCU-TZMCWYRMSA-N 1 0 348.403 1.865 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425213295 447066169 /nfs/dbraw/zinc/06/61/69/447066169.db2.gz GRJMMWLEIRHCKE-GXFFZTMASA-N 1 0 343.380 1.449 20 5 EDBDRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CN1 ZINC000377394218 447108968 /nfs/dbraw/zinc/10/89/68/447108968.db2.gz ALHLUISQILAHCL-GXTWGEPZSA-N 1 0 348.359 1.994 20 5 EDBDRO C[N@H+](CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCSC1 ZINC000444637482 447113731 /nfs/dbraw/zinc/11/37/31/447113731.db2.gz PUAFLFWBOZMWND-NSHDSACASA-N 1 0 349.416 1.525 20 5 EDBDRO CC(C)(O)C[N@@H+]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000372549089 447130535 /nfs/dbraw/zinc/13/05/35/447130535.db2.gz XGWGSKZJECCFFM-INIZCTEOSA-N 1 0 337.420 1.407 20 5 EDBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000372731209 447252047 /nfs/dbraw/zinc/25/20/47/447252047.db2.gz ZXHBXKVODNBZQF-GPAKFWEMSA-N 1 0 333.388 1.523 20 5 EDBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455842799 447240038 /nfs/dbraw/zinc/24/00/38/447240038.db2.gz JZBWQCFDKZLIPR-RYUDHWBXSA-N 1 0 333.392 1.730 20 5 EDBDRO O=C(C[NH2+][C@H]1CCO[C@H]1C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000372797878 447288931 /nfs/dbraw/zinc/28/89/31/447288931.db2.gz DUSJKOZFDXJDNC-QFYYESIMSA-N 1 0 349.343 1.419 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000450469447 447498670 /nfs/dbraw/zinc/49/86/70/447498670.db2.gz RFXIKYGSJKBHPW-AAEUAGOBSA-N 1 0 327.406 1.893 20 5 EDBDRO Cc1cc(NC[C@H]2C[NH2+]CCN2C)c(Br)cc1[N+](=O)[O-] ZINC000394771194 447539863 /nfs/dbraw/zinc/53/98/63/447539863.db2.gz UGSHYMRWGMAOFY-SNVBAGLBSA-N 1 0 343.225 1.981 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000420051730 447568821 /nfs/dbraw/zinc/56/88/21/447568821.db2.gz WKPQIZNLDXQEQR-OAHLLOKOSA-N 1 0 325.365 1.036 20 5 EDBDRO CCN(CC)S(=O)(=O)c1ccc(N2CC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420167772 447651578 /nfs/dbraw/zinc/65/15/78/447651578.db2.gz JNQALVHDTMAOLC-NSHDSACASA-N 1 0 342.421 1.163 20 5 EDBDRO O=C(c1ccc(NC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000420163734 447647630 /nfs/dbraw/zinc/64/76/30/447647630.db2.gz FSKMSVXZIXMXOX-ZDUSSCGKSA-N 1 0 348.403 1.479 20 5 EDBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCCCN1CC[NH2+]CC1 ZINC000420119213 447614222 /nfs/dbraw/zinc/61/42/22/447614222.db2.gz JFHAWBWPANXPSD-UHFFFAOYSA-N 1 0 345.403 1.281 20 5 EDBDRO Cn1ccnc1C(=O)c1ccc(N2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420129328 447622219 /nfs/dbraw/zinc/62/22/19/447622219.db2.gz WUVMIQCSZXJWDZ-LBPRGKRZSA-N 1 0 329.360 1.487 20 5 EDBDRO COc1ccc(CNC(=O)N2CCC3(CC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000422593402 447661015 /nfs/dbraw/zinc/66/10/15/447661015.db2.gz GJFOLBNCKOMAEA-UHFFFAOYSA-N 1 0 334.376 1.641 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N[C@@H](C[NH3+])CC(C)C)ccc1[N+](=O)[O-] ZINC000422833284 447763458 /nfs/dbraw/zinc/76/34/58/447763458.db2.gz MESQLEUUZIWQIY-CYBMUJFWSA-N 1 0 336.392 1.123 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459648016 447731498 /nfs/dbraw/zinc/73/14/98/447731498.db2.gz BPDTXTPUVWMFOU-IIAWOOMASA-N 1 0 348.399 1.835 20 5 EDBDRO [NH3+]C[C@H]1CCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423032319 447794746 /nfs/dbraw/zinc/79/47/46/447794746.db2.gz FHUGSGAHHCYPIW-RISCZKNCSA-N 1 0 327.406 1.086 20 5 EDBDRO C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCN1CCO ZINC000490072889 447886887 /nfs/dbraw/zinc/88/68/87/447886887.db2.gz OKSZGGWXSCAVEN-LLVKDONJSA-N 1 0 333.348 1.148 20 5 EDBDRO CCCCNC(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000523842127 447909280 /nfs/dbraw/zinc/90/92/80/447909280.db2.gz HRIUXZKTTAKBRN-UHFFFAOYSA-N 1 0 335.408 1.418 20 5 EDBDRO CNc1nccc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000553185984 447976742 /nfs/dbraw/zinc/97/67/42/447976742.db2.gz HCHLBQHBOVXGRF-LBPRGKRZSA-N 1 0 335.408 1.739 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCSCC(F)(F)F)c1 ZINC000576457567 448059676 /nfs/dbraw/zinc/05/96/76/448059676.db2.gz OIQDDMDGSIHMEX-SECBINFHSA-N 1 0 328.316 1.037 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000591299325 448311940 /nfs/dbraw/zinc/31/19/40/448311940.db2.gz FTPZFIUYNZYOKV-ONGXEEELSA-N 1 0 326.328 1.767 20 5 EDBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591438143 448363494 /nfs/dbraw/zinc/36/34/94/448363494.db2.gz LOMJKAPGYOTKDE-HOTGVXAUSA-N 1 0 346.431 1.615 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000591450065 448368331 /nfs/dbraw/zinc/36/83/31/448368331.db2.gz XJZDQKMKDQQETF-VHSXEESVSA-N 1 0 329.378 1.009 20 5 EDBDRO O=c1[nH]cnc2cc(NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)c([N+](=O)[O-])cc21 ZINC000583005733 448400146 /nfs/dbraw/zinc/40/01/46/448400146.db2.gz VDSZDKRGWJZNKE-PHIMTYICSA-N 1 0 345.359 1.519 20 5 EDBDRO CC[C@@H]1C[N@H+](CC)CCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000583005610 448400473 /nfs/dbraw/zinc/40/04/73/448400473.db2.gz QGCSZERXXUFQEI-LLVKDONJSA-N 1 0 342.421 1.163 20 5 EDBDRO O=c1c2c(ncn1Cc1ccc(Cl)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000577866201 448407493 /nfs/dbraw/zinc/40/74/93/448407493.db2.gz CYLDBXNRBRBDIL-UHFFFAOYSA-N 1 0 334.763 1.541 20 5 EDBDRO C[C@H](COc1cccc(F)c1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000572632104 448428486 /nfs/dbraw/zinc/42/84/86/448428486.db2.gz SVSLSVAOQOGAQP-RISCZKNCSA-N 1 0 338.339 1.348 20 5 EDBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000583449296 448434800 /nfs/dbraw/zinc/43/48/00/448434800.db2.gz GZJIANCXSWQXNR-LBPRGKRZSA-N 1 0 335.408 1.812 20 5 EDBDRO CC1(C)C[NH2+]CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000591677688 448446315 /nfs/dbraw/zinc/44/63/15/448446315.db2.gz AQXUWLGHSDNJNI-UHFFFAOYSA-N 1 0 329.360 1.605 20 5 EDBDRO C[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])Cn1cccn1 ZINC000572834669 448474601 /nfs/dbraw/zinc/47/46/01/448474601.db2.gz VPHSMAPUTSTTOJ-KGLIPLIRSA-N 1 0 334.376 1.457 20 5 EDBDRO CCn1cccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1=O ZINC000591763785 448484658 /nfs/dbraw/zinc/48/46/58/448484658.db2.gz IVGNMDTUCPFVEW-AWEZNQCLSA-N 1 0 347.371 1.306 20 5 EDBDRO CCOC(=O)CC[C@@H](O)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000591763557 448484921 /nfs/dbraw/zinc/48/49/21/448484921.db2.gz DWYLEMNQKMCUIS-LLVKDONJSA-N 1 0 336.348 1.265 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCSc2ccccc2)c1 ZINC000591723499 448472411 /nfs/dbraw/zinc/47/24/11/448472411.db2.gz MZIQMVSFNHIBTF-AWEZNQCLSA-N 1 0 336.417 1.924 20 5 EDBDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000584534343 448561645 /nfs/dbraw/zinc/56/16/45/448561645.db2.gz LUADAKOKRLUKEE-UHFFFAOYSA-N 1 0 331.376 1.912 20 5 EDBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000573429254 448623083 /nfs/dbraw/zinc/62/30/83/448623083.db2.gz QVEFHHGPSLUFDH-HNNXBMFYSA-N 1 0 338.408 1.988 20 5 EDBDRO O=C(c1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000584712774 448604037 /nfs/dbraw/zinc/60/40/37/448604037.db2.gz SYSMJRBCRBFKMT-KBPBESRZSA-N 1 0 344.415 1.877 20 5 EDBDRO O=C(NCCC[NH2+]C1CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000518380341 448671156 /nfs/dbraw/zinc/67/11/56/448671156.db2.gz WFRGLGCKZMYZFE-UHFFFAOYSA-N 1 0 329.360 1.652 20 5 EDBDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000578988697 448687281 /nfs/dbraw/zinc/68/72/81/448687281.db2.gz SLILUXHCQOWISW-LEXSJLIMSA-N 1 0 327.388 1.988 20 5 EDBDRO COc1cc(C(=O)N[C@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000567501344 448704763 /nfs/dbraw/zinc/70/47/63/448704763.db2.gz OCVFOUVOFSIFTJ-RNFRBKRXSA-N 1 0 333.291 1.670 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000573792876 448714044 /nfs/dbraw/zinc/71/40/44/448714044.db2.gz AEYIATJYGRKDQZ-RISCZKNCSA-N 1 0 325.390 1.228 20 5 EDBDRO C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1ccccc1F ZINC000573913982 448743862 /nfs/dbraw/zinc/74/38/62/448743862.db2.gz QTBGWBXFWNIZCS-AAEUAGOBSA-N 1 0 338.339 1.348 20 5 EDBDRO Cc1cc(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000592242876 448760492 /nfs/dbraw/zinc/76/04/92/448760492.db2.gz ROOVVHPBPWZGNV-LBPRGKRZSA-N 1 0 349.391 1.487 20 5 EDBDRO O=C1C[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CN1C1CC1 ZINC000568047429 448806378 /nfs/dbraw/zinc/80/63/78/448806378.db2.gz MMMQANNHRNNVOM-VHDGCEQUSA-N 1 0 347.419 1.876 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC[C@@H]1[NH3+] ZINC000592382659 448815914 /nfs/dbraw/zinc/81/59/14/448815914.db2.gz SULOKSGYXSOBLU-YPMHNXCESA-N 1 0 327.406 1.651 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000592389786 448819486 /nfs/dbraw/zinc/81/94/86/448819486.db2.gz MUCKTQUGVSPVDC-QWRGUYRKSA-N 1 0 331.369 1.190 20 5 EDBDRO COc1ccc(NC(=O)CN(C2CC2)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000592469598 448850520 /nfs/dbraw/zinc/85/05/20/448850520.db2.gz XQSNUPIOPRPQJJ-UHFFFAOYSA-N 1 0 348.403 1.758 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000592477077 448854390 /nfs/dbraw/zinc/85/43/90/448854390.db2.gz OQOUUHAKQIKXEM-TVQRCGJNSA-N 1 0 327.768 1.365 20 5 EDBDRO Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000579891800 448903066 /nfs/dbraw/zinc/90/30/66/448903066.db2.gz HUONUQXIYOHJDQ-WCQYABFASA-N 1 0 334.376 1.727 20 5 EDBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000592569015 448905483 /nfs/dbraw/zinc/90/54/83/448905483.db2.gz VGJHARTWCOAJMT-SNVBAGLBSA-N 1 0 329.360 1.876 20 5 EDBDRO C[C@@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)N1CC[NH+](C)CC1 ZINC000520803774 448930575 /nfs/dbraw/zinc/93/05/75/448930575.db2.gz OKMPHNWJAJDSSQ-ZDUSSCGKSA-N 1 0 333.436 1.916 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCOc3ccc(F)cc32)c1 ZINC000568620894 448895942 /nfs/dbraw/zinc/89/59/42/448895942.db2.gz QPKFRVCAOFRFCK-TZMCWYRMSA-N 1 0 336.323 1.405 20 5 EDBDRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000589161395 448979737 /nfs/dbraw/zinc/97/97/37/448979737.db2.gz YDKSEBJFWJXZKB-DZGCQCFKSA-N 1 0 341.433 1.445 20 5 EDBDRO Cc1sc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588863051 448943003 /nfs/dbraw/zinc/94/30/03/448943003.db2.gz ONPAWKCUCHWPSS-MNOVXSKESA-N 1 0 325.390 1.246 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000589930223 449084393 /nfs/dbraw/zinc/08/43/93/449084393.db2.gz UXXWHJNHLDDSBB-TZMCWYRMSA-N 1 0 325.390 1.061 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000589929943 449084710 /nfs/dbraw/zinc/08/47/10/449084710.db2.gz OTLBMPPANKECFX-UKRRQHHQSA-N 1 0 339.417 1.103 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000590012787 449096720 /nfs/dbraw/zinc/09/67/20/449096720.db2.gz YNJMFWGCXJDUMK-FZMZJTMJSA-N 1 0 334.376 1.178 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@@H]3C[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000590012004 449096878 /nfs/dbraw/zinc/09/68/78/449096878.db2.gz NXFCVTLMVOLHNF-ABAIWWIYSA-N 1 0 334.376 1.178 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000599897276 449103491 /nfs/dbraw/zinc/10/34/91/449103491.db2.gz VOXXIKZWMVZFOI-ZYHUDNBSSA-N 1 0 334.376 1.352 20 5 EDBDRO COCC[C@]1([NH2+]Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CCOC1 ZINC000593026928 449106841 /nfs/dbraw/zinc/10/68/41/449106841.db2.gz HMAXMDKCHZMQMP-INIZCTEOSA-N 1 0 338.360 1.667 20 5 EDBDRO C[NH+](C)CCN1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1=O ZINC000593053134 449115004 /nfs/dbraw/zinc/11/50/04/449115004.db2.gz XMJAXWWEHKNSNK-UHFFFAOYSA-N 1 0 342.346 1.079 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000595782041 449162254 /nfs/dbraw/zinc/16/22/54/449162254.db2.gz NFMNZZKIGPISBF-GJZGRUSLSA-N 1 0 347.371 1.786 20 5 EDBDRO CC[N@@H+]1CCN(c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611084509 449163337 /nfs/dbraw/zinc/16/33/37/449163337.db2.gz CAPPVVQYPDKSEG-NSHDSACASA-N 1 0 342.421 1.033 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000590443033 449164244 /nfs/dbraw/zinc/16/42/44/449164244.db2.gz JMJKCTABIYPGRU-YOEHRIQHSA-N 1 0 344.415 1.971 20 5 EDBDRO [NH3+]CC1(CCNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000593730513 449165107 /nfs/dbraw/zinc/16/51/07/449165107.db2.gz JUNIHZAPBDELJC-UHFFFAOYSA-N 1 0 327.406 1.186 20 5 EDBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@H]21 ZINC000600000266 449144278 /nfs/dbraw/zinc/14/42/78/449144278.db2.gz VFKPZCKXWUHXIY-VIKVFOODSA-N 1 0 326.356 1.775 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@](O)(C3CC3)C2)c1 ZINC000595753293 449148214 /nfs/dbraw/zinc/14/82/14/449148214.db2.gz YLHHTXRUQFPNPL-RDJZCZTQSA-N 1 0 336.388 1.571 20 5 EDBDRO C[C@@H](CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[NH+](C)C ZINC000597990957 449175696 /nfs/dbraw/zinc/17/56/96/449175696.db2.gz BOIJPJIIRGPTNQ-NSHDSACASA-N 1 0 332.364 1.246 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000595805611 449177920 /nfs/dbraw/zinc/17/79/20/449177920.db2.gz ISHVVNZUSDJEOO-AWEZNQCLSA-N 1 0 335.408 1.790 20 5 EDBDRO CN(c1ccccc1)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595827929 449190452 /nfs/dbraw/zinc/19/04/52/449190452.db2.gz SCPNZBMHSALDSY-MRXNPFEDSA-N 1 0 342.399 1.967 20 5 EDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2C[C@@H](CO)[C@H](CO)C2)o1 ZINC000600190841 449236651 /nfs/dbraw/zinc/23/66/51/449236651.db2.gz IUKSCGSAOMSQGP-STQMWFEESA-N 1 0 332.356 1.887 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(c3cccnc3)CC2)c1 ZINC000611258854 449240357 /nfs/dbraw/zinc/24/03/57/449240357.db2.gz UQNHSBQZXBZDHD-INIZCTEOSA-N 1 0 331.376 1.427 20 5 EDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000595908639 449246621 /nfs/dbraw/zinc/24/66/21/449246621.db2.gz ODOICICUBOLXCX-LDYMZIIASA-N 1 0 334.298 1.743 20 5 EDBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](C[NH3+])C(F)(F)F ZINC000595910688 449247610 /nfs/dbraw/zinc/24/76/10/449247610.db2.gz XEUWVEKQZMBOLZ-SNVBAGLBSA-N 1 0 345.281 1.966 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000595935652 449264067 /nfs/dbraw/zinc/26/40/67/449264067.db2.gz HVKBHLGLDPZEOV-ZDUSSCGKSA-N 1 0 335.408 1.663 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC1([NH3+])CCCC1 ZINC000595940837 449268232 /nfs/dbraw/zinc/26/82/32/449268232.db2.gz IQHZLFRNKFBBHI-NSHDSACASA-N 1 0 338.412 1.215 20 5 EDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611223178 449225224 /nfs/dbraw/zinc/22/52/24/449225224.db2.gz BNRDKPSSGWRTFH-NWDGAFQWSA-N 1 0 335.360 1.370 20 5 EDBDRO C[NH+](C)CCN1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1=O ZINC000593486005 449304688 /nfs/dbraw/zinc/30/46/88/449304688.db2.gz GMYPNNGYQZQBKF-UHFFFAOYSA-N 1 0 343.387 1.353 20 5 EDBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593911191 449280882 /nfs/dbraw/zinc/28/08/82/449280882.db2.gz FMUZIASQQCGYAM-UXLLHSPISA-N 1 0 347.415 1.882 20 5 EDBDRO CC(C)(C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000595961069 449283423 /nfs/dbraw/zinc/28/34/23/449283423.db2.gz IRAUBIIBOSWLRI-CQSZACIVSA-N 1 0 349.435 1.765 20 5 EDBDRO O=C(N1CCc2ncc([N+](=O)[O-])cc2C1)C12CCC[NH+](CCC1)C2 ZINC000602133722 449371706 /nfs/dbraw/zinc/37/17/06/449371706.db2.gz RMHFWDZLBGRVDM-UHFFFAOYSA-N 1 0 330.388 1.751 20 5 EDBDRO Cc1c(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cccc1[N+](=O)[O-] ZINC000598454484 449403333 /nfs/dbraw/zinc/40/33/33/449403333.db2.gz VWMKJIPUDTZFCS-AWEZNQCLSA-N 1 0 333.388 1.574 20 5 EDBDRO Nc1nccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000594285747 449430483 /nfs/dbraw/zinc/43/04/83/449430483.db2.gz BKPWDMCLPFQVMX-LBPRGKRZSA-N 1 0 333.392 1.663 20 5 EDBDRO C[NH+](C)CCN1CCC(Nc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611700567 449387087 /nfs/dbraw/zinc/38/70/87/449387087.db2.gz JDEPPKGNXHOFMM-UHFFFAOYSA-N 1 0 344.419 1.976 20 5 EDBDRO O=C(CC[C@@H]1CCC[NH2+]C1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000598665336 449527735 /nfs/dbraw/zinc/52/77/35/449527735.db2.gz MAKNFJLAXMCOTJ-KBPBESRZSA-N 1 0 347.419 1.782 20 5 EDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1ccn(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000598668988 449530345 /nfs/dbraw/zinc/53/03/45/449530345.db2.gz FFFMLRZDJYBYKY-PXAZEXFGSA-N 1 0 341.371 1.734 20 5 EDBDRO [NH3+][C@]12CCC[C@@H]1CN(Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000598681541 449539565 /nfs/dbraw/zinc/53/95/65/449539565.db2.gz GRLAXNIQQMLCER-WBMJQRKESA-N 1 0 329.360 1.958 20 5 EDBDRO C[C@@H]1CN(CCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@H](C)CO1 ZINC000596426849 449497132 /nfs/dbraw/zinc/49/71/32/449497132.db2.gz BXVKLYXYHIAHMV-GHMZBOCLSA-N 1 0 347.375 1.765 20 5 EDBDRO C[NH+](C)CCC[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CCO1 ZINC000596569588 449556277 /nfs/dbraw/zinc/55/62/77/449556277.db2.gz YHWSXNDBNBSZRR-CQSZACIVSA-N 1 0 338.408 1.216 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2C[C@@H](C)N[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598716890 449560430 /nfs/dbraw/zinc/56/04/30/449560430.db2.gz UWVKEFNRAKWEKC-GHMZBOCLSA-N 1 0 327.406 1.583 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC([C@H](C)[NH3+])CC2)c(C)c1[N+](=O)[O-] ZINC000598716506 449560893 /nfs/dbraw/zinc/56/08/93/449560893.db2.gz KDOQPHAKPPGKKN-LBPRGKRZSA-N 1 0 341.433 1.960 20 5 EDBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C2 ZINC000600956585 449615288 /nfs/dbraw/zinc/61/52/88/449615288.db2.gz VRVIBHFFFCAOIP-BETUJISGSA-N 1 0 345.446 1.496 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1SC ZINC000602569599 449678892 /nfs/dbraw/zinc/67/88/92/449678892.db2.gz BMWBOCJTSOWIIW-WCBMZHEXSA-N 1 0 325.390 1.806 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000598897558 449635628 /nfs/dbraw/zinc/63/56/28/449635628.db2.gz GSVWNBQQPZGEHW-WCQYABFASA-N 1 0 349.391 1.315 20 5 EDBDRO C[C@H](Cn1cccn1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602507887 449638901 /nfs/dbraw/zinc/63/89/01/449638901.db2.gz IQUMSAPOEHLUJO-CYBMUJFWSA-N 1 0 330.392 1.833 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000598914383 449644324 /nfs/dbraw/zinc/64/43/24/449644324.db2.gz BYEOQRJIRGABMM-IUODEOHRSA-N 1 0 346.387 1.524 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000601142587 449712654 /nfs/dbraw/zinc/71/26/54/449712654.db2.gz VKZMAEVQCRXJHO-MRXNPFEDSA-N 1 0 333.388 1.773 20 5 EDBDRO C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[NH2+]1 ZINC000599107132 449739688 /nfs/dbraw/zinc/73/96/88/449739688.db2.gz ZQVRZKXSCYLDLY-RKDXNWHRSA-N 1 0 333.797 1.667 20 5 EDBDRO C[C@@H](CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000594822642 449731339 /nfs/dbraw/zinc/73/13/39/449731339.db2.gz XRPXZSIHOQSTQM-LBPRGKRZSA-N 1 0 329.422 1.397 20 5 EDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000599107236 449740379 /nfs/dbraw/zinc/74/03/79/449740379.db2.gz LJSAGMTWPCVTIM-UONOGXRCSA-N 1 0 327.406 1.197 20 5 EDBDRO O=C1CCCN1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602713291 449764954 /nfs/dbraw/zinc/76/49/54/449764954.db2.gz UAPKNQOMQNBTRR-UHFFFAOYSA-N 1 0 333.392 1.171 20 5 EDBDRO CC[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000594918780 449807308 /nfs/dbraw/zinc/80/73/08/449807308.db2.gz SGNLRZWGKDEMFW-YPMHNXCESA-N 1 0 343.405 1.030 20 5 EDBDRO Cn1cc(CN(Cc2ccccc2)[C@@]2(CO)CCOC2)c([N+](=O)[O-])n1 ZINC000602828891 449840237 /nfs/dbraw/zinc/84/02/37/449840237.db2.gz SNGGXTFICVLJEK-QGZVFWFLSA-N 1 0 346.387 1.482 20 5 EDBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599287770 449863510 /nfs/dbraw/zinc/86/35/10/449863510.db2.gz GEXKKWSBGDLBMC-UHFFFAOYSA-N 1 0 347.441 1.071 20 5 EDBDRO Cn1cc(C2=CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cn1 ZINC000602883170 449890682 /nfs/dbraw/zinc/89/06/82/449890682.db2.gz NLSKYKVGLGNQTH-UHFFFAOYSA-N 1 0 329.360 1.279 20 5 EDBDRO C[N@H+](CCCO)C1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601379124 449894802 /nfs/dbraw/zinc/89/48/02/449894802.db2.gz SSRGLVAKNSKDCT-UHFFFAOYSA-N 1 0 339.367 1.653 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1C ZINC000601421338 449938106 /nfs/dbraw/zinc/93/81/06/449938106.db2.gz FFJQIZQDUVXIHT-CHWSQXEVSA-N 1 0 341.433 1.925 20 5 EDBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000601422081 449939940 /nfs/dbraw/zinc/93/99/40/449939940.db2.gz OUQUCELSGFLFAP-MWLCHTKSSA-N 1 0 347.824 1.961 20 5 EDBDRO COc1ccc(CC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000609016221 449956784 /nfs/dbraw/zinc/95/67/84/449956784.db2.gz ISNYHSLDAUHZHP-UONOGXRCSA-N 1 0 333.388 1.889 20 5 EDBDRO CC[NH+](CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000609143691 449967796 /nfs/dbraw/zinc/96/77/96/449967796.db2.gz MKNCGUUPNZXZDN-UHFFFAOYSA-N 1 0 326.422 1.647 20 5 EDBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601467910 449992248 /nfs/dbraw/zinc/99/22/48/449992248.db2.gz ADZQVJDUYRMQIB-SNVBAGLBSA-N 1 0 333.435 1.727 20 5 EDBDRO O=C(NCC12CC(C1)C[NH2+]2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000595273661 449992977 /nfs/dbraw/zinc/99/29/77/449992977.db2.gz OVIOFHPTZUACBB-UHFFFAOYSA-N 1 0 345.403 1.178 20 5 EDBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2c1 ZINC000609849900 450105335 /nfs/dbraw/zinc/10/53/35/450105335.db2.gz XGEWLTFFOKMEIJ-CQSZACIVSA-N 1 0 343.387 1.839 20 5 EDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000609851229 450106446 /nfs/dbraw/zinc/10/64/46/450106446.db2.gz XUCRFKYESBFTSE-AWEZNQCLSA-N 1 0 348.403 1.315 20 5 EDBDRO CN(CC[NH+](C)C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000599624631 450112159 /nfs/dbraw/zinc/11/21/59/450112159.db2.gz ZXPHNPLAKOQUGO-UHFFFAOYSA-N 1 0 335.339 1.553 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599643615 450124528 /nfs/dbraw/zinc/12/45/28/450124528.db2.gz ALYXBSIIEACOLU-BJHJDKERSA-N 1 0 334.376 1.428 20 5 EDBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCCF)CC1 ZINC000599669494 450141721 /nfs/dbraw/zinc/14/17/21/450141721.db2.gz JMBHHVMLWGBOQY-ZDUSSCGKSA-N 1 0 338.383 1.899 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000595447310 450148204 /nfs/dbraw/zinc/14/82/04/450148204.db2.gz GWDFMQKEEZAZFG-ZDUSSCGKSA-N 1 0 336.392 1.887 20 5 EDBDRO CN(CCC[NH+](C)C)CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601665557 450153269 /nfs/dbraw/zinc/15/32/69/450153269.db2.gz DTXVTUWSGNTAAQ-UHFFFAOYSA-N 1 0 326.372 1.347 20 5 EDBDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000613389383 450160767 /nfs/dbraw/zinc/16/07/67/450160767.db2.gz MGJFNYHBCITILG-BLLLJJGKSA-N 1 0 343.383 1.948 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCn2cncc2C1 ZINC000595490532 450180845 /nfs/dbraw/zinc/18/08/45/450180845.db2.gz OCZPTGLNAOWHCU-UHFFFAOYSA-N 1 0 345.359 1.644 20 5 EDBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000597653569 450172711 /nfs/dbraw/zinc/17/27/11/450172711.db2.gz LSYQNXBCPOFOIT-VIFPVBQESA-N 1 0 335.282 1.266 20 5 EDBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)C2 ZINC000597712981 450216271 /nfs/dbraw/zinc/21/62/71/450216271.db2.gz AROQNQSTWYMSAS-INIZCTEOSA-N 1 0 336.367 1.874 20 5 EDBDRO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000595504963 450192474 /nfs/dbraw/zinc/19/24/74/450192474.db2.gz NWDQLMFRMPIMAT-KRWDZBQOSA-N 1 0 332.404 1.611 20 5 EDBDRO O=C1C[C@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)CN1 ZINC000595564332 450237302 /nfs/dbraw/zinc/23/73/02/450237302.db2.gz XMGXRCRFDCHVKL-BPUTZDHNSA-N 1 0 347.415 1.836 20 5 EDBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000619787977 450334351 /nfs/dbraw/zinc/33/43/51/450334351.db2.gz PWTHFMCLVNQCEU-ZDUSSCGKSA-N 1 0 329.360 1.664 20 5 EDBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000619871345 450348384 /nfs/dbraw/zinc/34/83/84/450348384.db2.gz DKQDJOZDYNIGNV-MRXNPFEDSA-N 1 0 347.415 1.851 20 5 EDBDRO C[C@H](C[S@](C)=O)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000184269713 534140847 /nfs/dbraw/zinc/14/08/47/534140847.db2.gz FAKAQMLMXKJMOP-BGJPBQGDSA-N 1 0 336.417 1.852 20 5 EDBDRO CN(CC[NH+]1CCCC1)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000343434870 517928186 /nfs/dbraw/zinc/92/81/86/517928186.db2.gz YRPDZVXDPKJYAD-UHFFFAOYSA-N 1 0 348.403 1.269 20 5 EDBDRO CC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2C)CC[N@@H+]1C[C@@H](C)O ZINC000174611839 529283395 /nfs/dbraw/zinc/28/33/95/529283395.db2.gz YICKIECXOIONKZ-OCCSQVGLSA-N 1 0 335.404 1.820 20 5 EDBDRO CC[NH+](CC)CCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000339966804 535542434 /nfs/dbraw/zinc/54/24/34/535542434.db2.gz XBYPYBJTFNJFLZ-UHFFFAOYSA-N 1 0 344.437 1.599 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nc(C[C@H](C)[NH2+]C)no1 ZINC000261808287 535809586 /nfs/dbraw/zinc/80/95/86/535809586.db2.gz PPWHGOQMKAEMPX-WCBMZHEXSA-N 1 0 337.384 1.733 20 5 EDBDRO CCc1n[nH]c(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c1[N+](=O)[O-] ZINC000195441131 536005570 /nfs/dbraw/zinc/00/55/70/536005570.db2.gz MAFJQACPKBYSOB-ZDUSSCGKSA-N 1 0 345.403 1.783 20 5 EDBDRO CCc1n[nH]c(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1[N+](=O)[O-] ZINC000195441138 536008030 /nfs/dbraw/zinc/00/80/30/536008030.db2.gz MAFJQACPKBYSOB-CYBMUJFWSA-N 1 0 345.403 1.783 20 5 EDBDRO COc1cc(CCNC(=O)[C@@H]([NH3+])CC(F)F)c([N+](=O)[O-])cc1OC ZINC000345710133 536739135 /nfs/dbraw/zinc/73/91/35/536739135.db2.gz KCSAANLMTNTQPF-VIFPVBQESA-N 1 0 347.318 1.253 20 5 EDBDRO COc1cc(C(=O)NCC[N@@H+]2CCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000742238754 579444429 /nfs/dbraw/zinc/44/44/29/579444429.db2.gz BBUGEPFFUJZPSO-NSHDSACASA-N 1 0 337.376 1.826 20 5 EDBDRO C[NH+]1CCC(CNC(=S)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000760482982 580031807 /nfs/dbraw/zinc/03/18/07/580031807.db2.gz ABDIYIVZNAGGGA-UHFFFAOYSA-N 1 0 336.461 1.943 20 5 EDBDRO O=C1[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1CC(F)(F)F ZINC000734154829 578800914 /nfs/dbraw/zinc/80/09/14/578800914.db2.gz FIZRZLCKEKKDOA-NEPJUHHUSA-N 1 0 347.293 1.381 20 5 EDBDRO CC(C)[NH2+][C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000735889010 578936319 /nfs/dbraw/zinc/93/63/19/578936319.db2.gz VDVNDCSPBMCQSC-JTQLQIEISA-N 1 0 332.368 1.137 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000752100216 579838415 /nfs/dbraw/zinc/83/84/15/579838415.db2.gz AZGQTJVMKNKCNI-HVCHUGMYSA-N 1 0 333.388 1.835 20 5 EDBDRO C/C(=C/C(=O)NC[C@@H](C)N1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752365539 579846968 /nfs/dbraw/zinc/84/69/68/579846968.db2.gz NXZSURZRWAWMOC-IKESIWSLSA-N 1 0 346.431 1.750 20 5 EDBDRO COC[C@@H]1CC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000752794198 579865836 /nfs/dbraw/zinc/86/58/36/579865836.db2.gz WSMJDVNBJRJLCP-CYBMUJFWSA-N 1 0 334.376 1.763 20 5 EDBDRO COC(=O)C[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC000754537098 579905804 /nfs/dbraw/zinc/90/58/04/579905804.db2.gz GTMIJPWEWNSJMW-GFCCVEGCSA-N 1 0 335.360 1.773 20 5 EDBDRO C[NH+](C)C1(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1 ZINC000763024058 580090076 /nfs/dbraw/zinc/09/00/76/580090076.db2.gz CNHDABRNAPFURE-UHFFFAOYSA-N 1 0 333.392 1.123 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)OC[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC000765972787 580155545 /nfs/dbraw/zinc/15/55/45/580155545.db2.gz TUNSZVDTUOHARY-GFCCVEGCSA-N 1 0 334.332 1.592 20 5 EDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000771509327 580288190 /nfs/dbraw/zinc/28/81/90/580288190.db2.gz MCQOFUFRYOMOGW-VIFPVBQESA-N 1 0 335.389 1.671 20 5 EDBDRO CS[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000776595885 580423377 /nfs/dbraw/zinc/42/33/77/580423377.db2.gz BUIHAHHTRLPIKF-RRFJBIMHSA-N 1 0 325.434 1.606 20 5 EDBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@]1(CO)CCOC1 ZINC000782531258 580576991 /nfs/dbraw/zinc/57/69/91/580576991.db2.gz OVZGXXCEZUSDEI-OAHLLOKOSA-N 1 0 341.339 1.146 20 5 EDBDRO Cc1ccc([C@@H](O)C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000783908938 580608128 /nfs/dbraw/zinc/60/81/28/580608128.db2.gz DUZDOXNOYNZBBF-WBVHZDCISA-N 1 0 346.383 1.966 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCC=CO2)cc1[N+](=O)[O-] ZINC000788968157 580733851 /nfs/dbraw/zinc/73/38/51/580733851.db2.gz VYKNHRPZOMVTIW-ZDUSSCGKSA-N 1 0 336.344 1.929 20 5 EDBDRO Cc1c(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000790293234 580766200 /nfs/dbraw/zinc/76/62/00/580766200.db2.gz VJKXCXAVVLBRSJ-GJZGRUSLSA-N 1 0 348.403 1.566 20 5 EDBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000797413338 580974697 /nfs/dbraw/zinc/97/46/97/580974697.db2.gz CIISSESDPZXPRN-KRWDZBQOSA-N 1 0 343.387 1.874 20 5 EDBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000890887172 590833551 /nfs/dbraw/zinc/83/35/51/590833551.db2.gz XDNYKWNEBGGVJD-UHFFFAOYSA-N 1 0 337.376 1.983 20 5 EDBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891605939 591146906 /nfs/dbraw/zinc/14/69/06/591146906.db2.gz CJCUQXFDXYIBJF-LBPRGKRZSA-N 1 0 342.346 1.681 20 5 EDBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891723109 591198884 /nfs/dbraw/zinc/19/88/84/591198884.db2.gz NQCVKSVRRASZAD-GFCCVEGCSA-N 1 0 342.346 1.681 20 5 EDBDRO COc1c(O)ccc(CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000894158944 591211443 /nfs/dbraw/zinc/21/14/43/591211443.db2.gz RCCISRCJBLDDBM-RYUDHWBXSA-N 1 0 339.392 1.196 20 5 EDBDRO O=[N+]([O-])c1c2nonc2ccc1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000894178638 591218595 /nfs/dbraw/zinc/21/85/95/591218595.db2.gz PWCOGBLMIYVFOW-UHFFFAOYSA-N 1 0 347.375 1.822 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000892928928 591228076 /nfs/dbraw/zinc/22/80/76/591228076.db2.gz BVVMSMMILKLFBW-SWLSCSKDSA-N 1 0 334.376 1.319 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000896431057 591459370 /nfs/dbraw/zinc/45/93/70/591459370.db2.gz JYHCSJFTUGGBFN-TZMCWYRMSA-N 1 0 347.419 1.875 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c1C ZINC000896531285 591487112 /nfs/dbraw/zinc/48/71/12/591487112.db2.gz ZICAQOKVAPLBAL-DZGCQCFKSA-N 1 0 334.420 1.576 20 5 EDBDRO C[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000896581663 591542041 /nfs/dbraw/zinc/54/20/41/591542041.db2.gz NAEWTCQVQNWGCV-YGRLFVJLSA-N 1 0 340.811 1.612 20 5 EDBDRO CCN1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1=O ZINC000896730279 591595969 /nfs/dbraw/zinc/59/59/69/591595969.db2.gz XXDBNASVUMVEIJ-HNNXBMFYSA-N 1 0 347.419 1.559 20 5 EDBDRO COc1ccc(C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000895345247 591722855 /nfs/dbraw/zinc/72/28/55/591722855.db2.gz YRYAKPZEOKWCEL-AWEZNQCLSA-N 1 0 348.403 1.983 20 5 EDBDRO [NH3+]CC[C@H]1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000900473373 592035039 /nfs/dbraw/zinc/03/50/39/592035039.db2.gz CSGDLCIMZPBJJG-JTQLQIEISA-N 1 0 329.303 1.764 20 5 EDBDRO C[NH+]1CCC(NCc2cn(Cc3c(F)cccc3[N+](=O)[O-])nn2)CC1 ZINC000900525169 592036973 /nfs/dbraw/zinc/03/69/73/592036973.db2.gz CRUSKOBRBHJUPJ-UHFFFAOYSA-N 1 0 348.382 1.558 20 5 EDBDRO C[NH+]1CCC(O)(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900898389 592161805 /nfs/dbraw/zinc/16/18/05/592161805.db2.gz AJARQDNPGZCMAP-UHFFFAOYSA-N 1 0 345.758 1.574 20 5 EDBDRO C[NH2+]CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)C ZINC000903573997 592226295 /nfs/dbraw/zinc/22/62/95/592226295.db2.gz PYTDDCUYONTOPB-UHFFFAOYSA-N 1 0 326.372 1.992 20 5 EDBDRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000904328589 592231369 /nfs/dbraw/zinc/23/13/69/592231369.db2.gz HLFSJVQGIMAJBL-SNVBAGLBSA-N 1 0 328.756 1.700 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)cc1C ZINC000903594983 592237915 /nfs/dbraw/zinc/23/79/15/592237915.db2.gz HNCWWTQQNKURLG-OAHLLOKOSA-N 1 0 339.417 1.728 20 5 EDBDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]CC[N+](=O)[O-])s1 ZINC000905092925 592418934 /nfs/dbraw/zinc/41/89/34/592418934.db2.gz HDHJLFVXSGVGBM-UHFFFAOYSA-N 1 0 335.451 1.187 20 5 EDBDRO C[NH+](C)C(C)(C)CNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000905223261 592473643 /nfs/dbraw/zinc/47/36/43/592473643.db2.gz SPOVHFHWOVHQNE-UHFFFAOYSA-N 1 0 337.376 1.826 20 5 EDBDRO C[NH+]1CCC2(CCC(NC(=O)CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000908501904 592522776 /nfs/dbraw/zinc/52/27/76/592522776.db2.gz KEZLAQSKMDTJKN-UHFFFAOYSA-N 1 0 349.435 1.952 20 5 EDBDRO COC[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000905616130 592595097 /nfs/dbraw/zinc/59/50/97/592595097.db2.gz GXOSYKLZZOSPLA-CYBMUJFWSA-N 1 0 344.433 1.877 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC000912150305 593066007 /nfs/dbraw/zinc/06/60/07/593066007.db2.gz LCVJUOAGQXCHSD-HZSPNIEDSA-N 1 0 339.779 1.726 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC000912151573 593066163 /nfs/dbraw/zinc/06/61/63/593066163.db2.gz YTJOHQQYVNJZNW-SMDDNHRTSA-N 1 0 327.768 1.320 20 5 EDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000783915826 593137793 /nfs/dbraw/zinc/13/77/93/593137793.db2.gz MTUUXAUYRABRIY-GFCCVEGCSA-N 1 0 344.375 1.390 20 5 EDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000808160455 593230861 /nfs/dbraw/zinc/23/08/61/593230861.db2.gz MFBQULVWHWCUQB-XSDWHBAISA-N 1 0 331.372 1.276 20 5 EDBDRO CN(C)CC[N@H+](C)CCCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000809161059 593320924 /nfs/dbraw/zinc/32/09/24/593320924.db2.gz RUXLZKHLUPIMTO-UHFFFAOYSA-N 1 0 339.465 1.765 20 5 EDBDRO CC[NH+](CC)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1OC ZINC000810045627 593377040 /nfs/dbraw/zinc/37/70/40/593377040.db2.gz RXCGFMGHBNEZCK-UHFFFAOYSA-N 1 0 332.378 1.654 20 5 EDBDRO C[NH+](C)CCCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814972320 593608378 /nfs/dbraw/zinc/60/83/78/593608378.db2.gz AUEGPILZEMPHMY-UHFFFAOYSA-N 1 0 339.776 1.617 20 5 EDBDRO CN(C)C(=O)OC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000815187946 593619875 /nfs/dbraw/zinc/61/98/75/593619875.db2.gz XRAUBWRFBYBRPJ-HNNXBMFYSA-N 1 0 337.376 1.791 20 5 EDBDRO CC(C)(C)S(=O)(=O)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819061465 593736579 /nfs/dbraw/zinc/73/65/79/593736579.db2.gz PQHAKLAWHZAMHE-CYBMUJFWSA-N 1 0 330.406 1.431 20 5 EDBDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819076011 593737411 /nfs/dbraw/zinc/73/74/11/593737411.db2.gz SISHBBMYFMSJBL-IJEWVQPXSA-N 1 0 335.404 1.865 20 5 EDBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819095051 593738653 /nfs/dbraw/zinc/73/86/53/593738653.db2.gz RYUMKNYYLDGEMQ-NWANDNLSSA-N 1 0 342.417 1.574 20 5 EDBDRO COC[C@@H](C)OC[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000819150846 593741544 /nfs/dbraw/zinc/74/15/44/593741544.db2.gz SKDAMKKAXHZOGU-ZWNOBZJWSA-N 1 0 332.784 1.750 20 5 EDBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819244271 593746476 /nfs/dbraw/zinc/74/64/76/593746476.db2.gz JPCXSXIMEFXVFD-ARFHVFGLSA-N 1 0 340.376 1.038 20 5 EDBDRO C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000819265892 593747649 /nfs/dbraw/zinc/74/76/49/593747649.db2.gz UBQXCNDDRDKMBY-RHSMWYFYSA-N 1 0 337.420 1.719 20 5 EDBDRO CC1CC[NH+](CCCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000820722448 593871746 /nfs/dbraw/zinc/87/17/46/593871746.db2.gz IMBQLLGLKULSRD-UHFFFAOYSA-N 1 0 346.395 1.704 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000824101395 593929790 /nfs/dbraw/zinc/92/97/90/593929790.db2.gz SLLZFLBQRVNXIW-TXEJJXNPSA-N 1 0 337.351 1.856 20 5 EDBDRO C[N@H+](CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000825394267 594177959 /nfs/dbraw/zinc/17/79/59/594177959.db2.gz XFEHDVIYYDPIDZ-KRWDZBQOSA-N 1 0 343.383 1.876 20 5 EDBDRO CN1CCC([N@@H+]2CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C2)CC1 ZINC000823282416 594179991 /nfs/dbraw/zinc/17/99/91/594179991.db2.gz PFWPMNJORFAENN-ZDUSSCGKSA-N 1 0 326.441 1.107 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)OCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000825453325 594187079 /nfs/dbraw/zinc/18/70/79/594187079.db2.gz WOVQCANPYLPDLF-UHFFFAOYSA-N 1 0 349.387 1.662 20 5 EDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000823619855 594221896 /nfs/dbraw/zinc/22/18/96/594221896.db2.gz CFAFURXOIROSPV-NXEZZACHSA-N 1 0 330.352 1.209 20 5 EDBDRO C[NH+](C)CC1CCC(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000827546904 594230004 /nfs/dbraw/zinc/23/00/04/594230004.db2.gz BHUVNGFOWXKLLR-LDZOIKDWSA-N 1 0 335.404 1.865 20 5 EDBDRO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000825887489 594269440 /nfs/dbraw/zinc/26/94/40/594269440.db2.gz OQOHDWZJVZQJDJ-KRWDZBQOSA-N 1 0 347.415 1.963 20 5 EDBDRO C[C@H]([NH2+]CC(=O)N1CCOC[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000830167084 594349085 /nfs/dbraw/zinc/34/90/85/594349085.db2.gz HAFPHYXHBQDMTQ-LRDDRELGSA-N 1 0 333.388 1.883 20 5 EDBDRO CCN(CCC[NH+]1CCCC1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830838055 594492294 /nfs/dbraw/zinc/49/22/94/594492294.db2.gz ICMNUVVMHMWXRX-INIZCTEOSA-N 1 0 335.404 1.963 20 5 EDBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831416060 594626867 /nfs/dbraw/zinc/62/68/67/594626867.db2.gz KHFOJWYASHXERO-HUUCEWRRSA-N 1 0 335.404 1.865 20 5 EDBDRO CCO[C@@H](CNC(=O)CSc1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000831777314 594702299 /nfs/dbraw/zinc/70/22/99/594702299.db2.gz WQVXCNAIXYPNPK-LBPRGKRZSA-N 1 0 341.433 1.770 20 5 EDBDRO CCCN(CC[NH+]1CCCC1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832383773 594746467 /nfs/dbraw/zinc/74/64/67/594746467.db2.gz DYGDWWUESLSRTJ-INIZCTEOSA-N 1 0 335.404 1.963 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000832742844 594773549 /nfs/dbraw/zinc/77/35/49/594773549.db2.gz QCRUSUHCGNGJMV-YPMHNXCESA-N 1 0 331.376 1.530 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)[C@@H]3CCCOC3)CC2)cc1 ZINC000840961326 594832602 /nfs/dbraw/zinc/83/26/02/594832602.db2.gz AJCPZZKYOWFZHD-KDOFPFPSSA-N 1 0 349.431 1.941 20 5 EDBDRO C[C@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000841174481 594863739 /nfs/dbraw/zinc/86/37/39/594863739.db2.gz ZOCXJFBGGLXNTG-QMMMGPOBSA-N 1 0 326.740 1.007 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841224236 594872066 /nfs/dbraw/zinc/87/20/66/594872066.db2.gz KJSMERCPKZNTKB-RKDXNWHRSA-N 1 0 340.767 1.573 20 5 EDBDRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841248160 594875784 /nfs/dbraw/zinc/87/57/84/594875784.db2.gz PFDBNBRVARTCQU-VIFPVBQESA-N 1 0 342.783 1.820 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000867148187 594892949 /nfs/dbraw/zinc/89/29/49/594892949.db2.gz OLXGYQQJEDIFMC-NSHDSACASA-N 1 0 345.396 1.805 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCC2(O)CC[NH+](C)CC2)cc1Cl ZINC000836731392 594991978 /nfs/dbraw/zinc/99/19/78/594991978.db2.gz ACEYNMNDVGFIPM-UHFFFAOYSA-N 1 0 341.795 1.743 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2(C[NH+](C)C)CCC2)cc1F ZINC000867225395 595068275 /nfs/dbraw/zinc/06/82/75/595068275.db2.gz PKWLRBBIKTURMG-UHFFFAOYSA-N 1 0 345.396 1.805 20 5 EDBDRO C[C@@]1(F)C[NH2+]CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000843388386 595097540 /nfs/dbraw/zinc/09/75/40/595097540.db2.gz XKLSNJPCEOEXRE-CQSZACIVSA-N 1 0 344.774 1.820 20 5 EDBDRO COc1cccc(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)c1[N+](=O)[O-] ZINC000843456613 595117076 /nfs/dbraw/zinc/11/70/76/595117076.db2.gz JIHWPZAOOXGDRE-UHFFFAOYSA-N 1 0 345.359 1.977 20 5 EDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842485716 595120643 /nfs/dbraw/zinc/12/06/43/595120643.db2.gz RGXOXAIORWQQQY-ZDUSSCGKSA-N 1 0 345.808 1.765 20 5 EDBDRO O=C(CO[C@H]1CCC[NH2+]C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000843485332 595125960 /nfs/dbraw/zinc/12/59/60/595125960.db2.gz KOKHDRYPQTYHOE-HNNXBMFYSA-N 1 0 333.388 1.854 20 5 EDBDRO O=[N+]([O-])c1cccc(-n2cc(-c3nc([C@@H]4CCC[NH2+]C4)no3)nn2)c1 ZINC000842665838 595164960 /nfs/dbraw/zinc/16/49/60/595164960.db2.gz AZZPSCZWBHIPJD-SNVBAGLBSA-N 1 0 341.331 1.693 20 5 EDBDRO CN(C1CCC([NH3+])CC1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000842736597 595184933 /nfs/dbraw/zinc/18/49/33/595184933.db2.gz BPERKESSOFKULP-UHFFFAOYSA-N 1 0 341.433 1.669 20 5 EDBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc([N+](=O)[O-])ccc1N)CCO2 ZINC000844093835 595270508 /nfs/dbraw/zinc/27/05/08/595270508.db2.gz IVMWPBBQVGPCSG-UHFFFAOYSA-N 1 0 334.376 1.114 20 5 EDBDRO CCc1ccc([C@@H](O)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000843091279 595285327 /nfs/dbraw/zinc/28/53/27/595285327.db2.gz BNDNWWYCQSUBIL-CVEARBPZSA-N 1 0 334.376 1.038 20 5 EDBDRO C[NH+](C)CCC[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000852760628 595531627 /nfs/dbraw/zinc/53/16/27/595531627.db2.gz JVEMOQUFGIEJOT-DLBZAZTESA-N 1 0 337.420 1.671 20 5 EDBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CCCC1 ZINC000852852511 595575494 /nfs/dbraw/zinc/57/54/94/595575494.db2.gz ZUKBXQJIQKUTHJ-UHFFFAOYSA-N 1 0 348.403 1.433 20 5 EDBDRO C[NH2+][C@@H]1CCCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857763941 595599870 /nfs/dbraw/zinc/59/98/70/595599870.db2.gz BGVUGTPBZLKGKK-SNVBAGLBSA-N 1 0 329.303 1.777 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000855162418 595617511 /nfs/dbraw/zinc/61/75/11/595617511.db2.gz JJFVPXJDLQMAJA-IUODEOHRSA-N 1 0 335.404 1.865 20 5 EDBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NCC[C@@H](C)[NH+](C)C ZINC000855416797 595705496 /nfs/dbraw/zinc/70/54/96/595705496.db2.gz BBTIFTKJCBGIQH-SECBINFHSA-N 1 0 340.355 1.762 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H](O)[C@H]3CCCO3)CC2)cc1 ZINC000858468764 595803850 /nfs/dbraw/zinc/80/38/50/595803850.db2.gz JYLXVYRWKPJHDH-DLBZAZTESA-N 1 0 335.404 1.693 20 5 EDBDRO O=[N+]([O-])c1nn(CN2CC[C@@H]3COC[C@@H]3C2)cc1Br ZINC000853586825 595815412 /nfs/dbraw/zinc/81/54/12/595815412.db2.gz BIIJOFHCOOKANS-BDAKNGLRSA-N 1 0 331.170 1.480 20 5 EDBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CCO1 ZINC000856428521 595987950 /nfs/dbraw/zinc/98/79/50/595987950.db2.gz CBGQVSXIBPXNTN-ZDUSSCGKSA-N 1 0 339.367 1.917 20 5 EDBDRO CC(C)[C@H]1CN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[NH2+]1 ZINC000856490167 596004660 /nfs/dbraw/zinc/00/46/60/596004660.db2.gz XETASBOHXUWSBB-ZBFHGGJFSA-N 1 0 346.387 1.544 20 5 EDBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC[C@H]1COCC[NH2+]1 ZINC000861608286 596046151 /nfs/dbraw/zinc/04/61/51/596046151.db2.gz NAWLWZWURPSVDS-JTQLQIEISA-N 1 0 328.756 1.036 20 5 EDBDRO [NH3+][C@@]12CCC[C@@H]1CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000857086028 596154582 /nfs/dbraw/zinc/15/45/82/596154582.db2.gz ILLMRBKGZHFUTD-MEBBXXQBSA-N 1 0 338.795 2.000 20 5 EDBDRO O=C1CCCN1C[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852680722 596226191 /nfs/dbraw/zinc/22/61/91/596226191.db2.gz YFPZAVURCHCFPU-CZUORRHYSA-N 1 0 333.388 1.573 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c1 ZINC000859930472 596228362 /nfs/dbraw/zinc/22/83/62/596228362.db2.gz YZDRGOCVOZDBAB-LEUOFYLZSA-N 1 0 342.399 1.888 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000866824905 596367144 /nfs/dbraw/zinc/36/71/44/596367144.db2.gz VYPFFNMACAACPE-STQMWFEESA-N 1 0 339.417 1.727 20 5 EDBDRO C[NH+]1CCC(NC(=O)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000865363340 596551770 /nfs/dbraw/zinc/55/17/70/596551770.db2.gz SDXBJBWPZOTGAY-UHFFFAOYSA-N 1 0 343.387 1.669 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000874168565 596949225 /nfs/dbraw/zinc/94/92/25/596949225.db2.gz DEXYJZSDGWHLQP-WFASDCNBSA-N 1 0 346.387 1.394 20 5 EDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000876728818 597309792 /nfs/dbraw/zinc/30/97/92/597309792.db2.gz WULAQLBMKSKGDR-CXAGYDPISA-N 1 0 334.420 1.569 20 5 EDBDRO C[C@H]([NH3+])CN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000877101558 597433587 /nfs/dbraw/zinc/43/35/87/597433587.db2.gz NBLRDAYCRFUYQI-LURJTMIESA-N 1 0 334.145 1.916 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCN(c4ncccc4F)C3)C2)c1 ZINC000877111400 597435374 /nfs/dbraw/zinc/43/53/74/597435374.db2.gz KBGHVIWDQTUPSI-HIFPTAJRSA-N 1 0 346.366 1.897 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C(F)(F)F ZINC000877365371 597502243 /nfs/dbraw/zinc/50/22/43/597502243.db2.gz PXICDIBZTDFTNG-KCJUWKMLSA-N 1 0 335.257 1.943 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000878099954 597578055 /nfs/dbraw/zinc/57/80/55/597578055.db2.gz ITZYTZUYQMGDSS-AWEZNQCLSA-N 1 0 335.408 1.577 20 5 EDBDRO Nc1ccc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000882988037 597608687 /nfs/dbraw/zinc/60/86/87/597608687.db2.gz XENZHVJDGQIGDP-OAHLLOKOSA-N 1 0 349.435 1.386 20 5 EDBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531793 597621607 /nfs/dbraw/zinc/62/16/07/597621607.db2.gz LERRBJNEBJGIOH-OKILXGFUSA-N 1 0 347.371 1.429 20 5 EDBDRO Cn1c(C(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000881470824 597629842 /nfs/dbraw/zinc/62/98/42/597629842.db2.gz VLOMDDPXPJKCDR-ZDUSSCGKSA-N 1 0 336.392 1.307 20 5 EDBDRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000883473564 597764301 /nfs/dbraw/zinc/76/43/01/597764301.db2.gz CYEXDXXQOQQXLQ-CYBMUJFWSA-N 1 0 341.433 1.974 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 ZINC000133218236 597949977 /nfs/dbraw/zinc/94/99/77/597949977.db2.gz OPRYZWCCIHYVMK-AWEZNQCLSA-N 1 0 347.375 1.395 20 5 EDBDRO CC[N@@H+]1CC[C@H]1CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000882960789 598117366 /nfs/dbraw/zinc/11/73/66/598117366.db2.gz WGGWCJWIZKUPLY-NSHDSACASA-N 1 0 342.421 1.351 20 5 EDBDRO Cc1c(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000918464247 697168845 /nfs/dbraw/zinc/16/88/45/697168845.db2.gz BALDMJFXGDZSNL-LBPRGKRZSA-N 1 0 348.403 1.832 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000919860404 697351149 /nfs/dbraw/zinc/35/11/49/697351149.db2.gz KIEREOIBMCDLBF-DZGCQCFKSA-N 1 0 339.417 1.593 20 5 EDBDRO Cc1ccc(OCC[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001031660669 697430463 /nfs/dbraw/zinc/43/04/63/697430463.db2.gz OGYFFUXBESAHPI-HZPDHXFCSA-N 1 0 333.388 1.087 20 5 EDBDRO Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)s1 ZINC000996428505 702782800 /nfs/dbraw/zinc/78/28/00/702782800.db2.gz GAYMJOXRMNNPKC-TZMCWYRMSA-N 1 0 338.433 1.506 20 5 EDBDRO Cn1ncc(C(=O)N2CCC([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000997088715 703326758 /nfs/dbraw/zinc/32/67/58/703326758.db2.gz IKXXOCWEQFPZOJ-UHFFFAOYSA-N 1 0 344.375 1.118 20 5 EDBDRO O=C(Cc1ncc[nH]1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000997128889 703387656 /nfs/dbraw/zinc/38/76/56/703387656.db2.gz WGEMXYKUDYDSTM-UHFFFAOYSA-N 1 0 349.416 1.703 20 5 EDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]1(CO)COCCN1C ZINC000922532941 703933973 /nfs/dbraw/zinc/93/39/73/703933973.db2.gz KVSYGGCHMXRCPZ-XMCSSRMMSA-N 1 0 335.404 1.281 20 5 EDBDRO O=C(Cn1cccn1)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001002337831 708819157 /nfs/dbraw/zinc/81/91/57/708819157.db2.gz BESCJWCNNHUXGK-UHFFFAOYSA-N 1 0 343.387 1.572 20 5 EDBDRO Cc1cccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001034643547 710319703 /nfs/dbraw/zinc/31/97/03/710319703.db2.gz OWPLTEIKPHJSBG-IXYNUQLISA-N 1 0 332.404 1.572 20 5 EDBDRO CCO[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1C)C[NH+](C)C ZINC000922168034 710324818 /nfs/dbraw/zinc/32/48/18/710324818.db2.gz JOWMVAJGZREUBD-CQSZACIVSA-N 1 0 338.408 1.669 20 5 EDBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000922168531 710327687 /nfs/dbraw/zinc/32/76/87/710327687.db2.gz MLMQJTQCDQSBOA-NSHDSACASA-N 1 0 335.360 1.580 20 5 EDBDRO Cc1nn(C)c(N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000374254256 282270888 /nfs/dbraw/zinc/27/08/88/282270888.db2.gz CWOJWCWZRBHOCM-LBPRGKRZSA-N 1 0 336.440 1.241 20 5 EDBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000561174316 306283815 /nfs/dbraw/zinc/28/38/15/306283815.db2.gz VNLCDHGLYSBHKG-KRWDZBQOSA-N 1 0 332.404 1.922 20 5 EDBDRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1c(Cl)cccc1[N+](=O)[O-] ZINC000561692837 306290051 /nfs/dbraw/zinc/29/00/51/306290051.db2.gz RIOUCILUCWSJKV-HNNXBMFYSA-N 1 0 339.779 1.435 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCCc3cn[nH]c32)c1 ZINC000562995526 306315058 /nfs/dbraw/zinc/31/50/58/306315058.db2.gz CMUDTPSHLCMDIN-DZGCQCFKSA-N 1 0 332.360 1.725 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c([N+](=O)[O-])c1 ZINC000125221868 138332749 /nfs/dbraw/zinc/33/27/49/138332749.db2.gz DEUPIOZPWVAJCU-KGLIPLIRSA-N 1 0 346.387 1.184 20 5 EDBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000132309731 138374961 /nfs/dbraw/zinc/37/49/61/138374961.db2.gz QTSMTVOSJCLYQI-ZDUSSCGKSA-N 1 0 336.392 1.137 20 5 EDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000186941895 236072471 /nfs/dbraw/zinc/07/24/71/236072471.db2.gz FRVBYQRIQXSDLP-CQSZACIVSA-N 1 0 349.431 1.831 20 5 EDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000564560240 306360539 /nfs/dbraw/zinc/36/05/39/306360539.db2.gz ZICMPZKQGLSIJK-HNNXBMFYSA-N 1 0 329.360 1.646 20 5 EDBDRO C[NH+](C)CCn1ccc(NC(=O)NCc2ccccc2[N+](=O)[O-])n1 ZINC000173911290 237269224 /nfs/dbraw/zinc/26/92/24/237269224.db2.gz CRAVNMDAMSJLAG-UHFFFAOYSA-N 1 0 332.364 1.675 20 5 EDBDRO CCC(=O)N1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000564851284 306367547 /nfs/dbraw/zinc/36/75/47/306367547.db2.gz AZMNKYZWBUCULX-LBPRGKRZSA-N 1 0 334.376 1.524 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCn3ccnc3C2)c1 ZINC000564870793 306367983 /nfs/dbraw/zinc/36/79/83/306367983.db2.gz ATLBORUBSPMURN-JSGCOSHPSA-N 1 0 332.360 1.136 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107632564 219791965 /nfs/dbraw/zinc/79/19/65/219791965.db2.gz HRJXVLANLDYHAD-CQSZACIVSA-N 1 0 348.403 1.233 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000072834410 216314290 /nfs/dbraw/zinc/31/42/90/216314290.db2.gz OMZNXEVDKCZHPZ-INIZCTEOSA-N 1 0 334.420 1.974 20 5 EDBDRO C[C@@H](O)CC(C)(C)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566909910 306432577 /nfs/dbraw/zinc/43/25/77/306432577.db2.gz RBLCOPZQWQPQOQ-OLZOCXBDSA-N 1 0 326.393 1.721 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000237191630 139043636 /nfs/dbraw/zinc/04/36/36/139043636.db2.gz DSKJHEVPUNJCJU-CQSZACIVSA-N 1 0 345.421 1.645 20 5 EDBDRO Cc1cc(C(=O)N(C)CCCN2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000110865403 220072549 /nfs/dbraw/zinc/07/25/49/220072549.db2.gz ZNUKJOJFHOCQGZ-UHFFFAOYSA-N 1 0 334.420 1.613 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000237790587 139060467 /nfs/dbraw/zinc/06/04/67/139060467.db2.gz MXCIXZNMDDPHNT-WCQYABFASA-N 1 0 327.406 1.699 20 5 EDBDRO [NH3+]Cc1ccc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000237957918 139065122 /nfs/dbraw/zinc/06/51/22/139065122.db2.gz VBYOWVUYOHIQAM-CQSZACIVSA-N 1 0 341.371 1.775 20 5 EDBDRO O=C(C[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCCC1 ZINC000247358367 139145780 /nfs/dbraw/zinc/14/57/80/139145780.db2.gz YMWQUIBCJBSNCA-UHFFFAOYSA-N 1 0 332.404 1.729 20 5 EDBDRO C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000094004322 218261028 /nfs/dbraw/zinc/26/10/28/218261028.db2.gz JYAZDCKWBBIMCG-MNOVXSKESA-N 1 0 344.371 1.649 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000415445930 304220312 /nfs/dbraw/zinc/22/03/12/304220312.db2.gz PDIRPAGLXPEQLQ-ZWNOBZJWSA-N 1 0 334.376 1.291 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261713453 139219856 /nfs/dbraw/zinc/21/98/56/139219856.db2.gz MRBRJOCKHXFOHD-UHFFFAOYSA-N 1 0 325.390 1.359 20 5 EDBDRO CN(CC(=O)N1CC[NH2+]CC1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261821264 139228956 /nfs/dbraw/zinc/22/89/56/139228956.db2.gz IJRYGHMVASOYJI-UHFFFAOYSA-N 1 0 326.784 1.112 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261806128 139227668 /nfs/dbraw/zinc/22/76/68/139227668.db2.gz FYKCBDVJQUQACC-YNEHKIRRSA-N 1 0 339.417 1.651 20 5 EDBDRO CN(C)S(=O)(=O)c1ccc(N[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000261858005 139231871 /nfs/dbraw/zinc/23/18/71/139231871.db2.gz FIQVIOOGEPXZJU-SNVBAGLBSA-N 1 0 328.394 1.009 20 5 EDBDRO C[C@H](CO)[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000276487609 183815629 /nfs/dbraw/zinc/81/56/29/183815629.db2.gz UMQUIAGYBPZUSQ-CJNGLKHVSA-N 1 0 338.404 1.960 20 5 EDBDRO [NH3+]CC1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000261983273 139241634 /nfs/dbraw/zinc/24/16/34/139241634.db2.gz IYWSJOPKPKEWLN-UHFFFAOYSA-N 1 0 329.360 1.591 20 5 EDBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000261963497 139240349 /nfs/dbraw/zinc/24/03/49/139240349.db2.gz AARBFVOXLAYHKY-GFCCVEGCSA-N 1 0 329.360 1.734 20 5 EDBDRO CC[NH+]1CCC(CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000569208154 306499549 /nfs/dbraw/zinc/49/95/49/306499549.db2.gz VVYVWCUKCWMTJY-UHFFFAOYSA-N 1 0 342.421 1.386 20 5 EDBDRO C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415547525 251001504 /nfs/dbraw/zinc/00/15/04/251001504.db2.gz CWTSBODGPGZRJY-JTQLQIEISA-N 1 0 336.392 1.684 20 5 EDBDRO [NH3+]Cc1cccnc1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000416037280 251051339 /nfs/dbraw/zinc/05/13/39/251051339.db2.gz ZZEASXANTHUGBN-UHFFFAOYSA-N 1 0 343.343 1.744 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCCN1CC[NH2+]CC1 ZINC000420119673 251598425 /nfs/dbraw/zinc/59/84/25/251598425.db2.gz NRSXIEAJSHWBFR-UHFFFAOYSA-N 1 0 336.392 1.397 20 5 EDBDRO CCOC(=O)c1cc(N2CC[C@H](N3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000420244464 251654770 /nfs/dbraw/zinc/65/47/70/251654770.db2.gz DIRFEQBOBAWXPV-AWEZNQCLSA-N 1 0 348.403 1.255 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000420417889 251713608 /nfs/dbraw/zinc/71/36/08/251713608.db2.gz BVYNIHWBKYVHCO-GFCCVEGCSA-N 1 0 327.406 1.632 20 5 EDBDRO C[C@@H]1[NH2+]CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@H]1C ZINC000262718420 139298736 /nfs/dbraw/zinc/29/87/36/139298736.db2.gz FAZBEHVBBHXQGU-RYUDHWBXSA-N 1 0 329.360 1.603 20 5 EDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262739904 139300295 /nfs/dbraw/zinc/30/02/95/139300295.db2.gz BQFSWBHJJPEGSK-DTWKUNHWSA-N 1 0 333.797 1.619 20 5 EDBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262762064 139301874 /nfs/dbraw/zinc/30/18/74/139301874.db2.gz GGWQRZIYQDLWHD-PSASIEDQSA-N 1 0 333.797 1.667 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262793729 139303947 /nfs/dbraw/zinc/30/39/47/139303947.db2.gz SKVXSWPCRASILS-LDYMZIIASA-N 1 0 333.797 1.525 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000262846141 139307616 /nfs/dbraw/zinc/30/76/16/139307616.db2.gz JKUASYBJFSCQCP-YPMHNXCESA-N 1 0 329.360 1.651 20 5 EDBDRO C[C@@H](C[C@@H]1CCCO1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569650472 306514258 /nfs/dbraw/zinc/51/42/58/306514258.db2.gz LCQDZOOJPLVDRC-JSGCOSHPSA-N 1 0 342.417 1.916 20 5 EDBDRO C[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000423947599 252106484 /nfs/dbraw/zinc/10/64/84/252106484.db2.gz JFZOUZNMJWNRAR-MWLCHTKSSA-N 1 0 327.768 1.823 20 5 EDBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261594074 285083895 /nfs/dbraw/zinc/08/38/95/285083895.db2.gz NHUWPYYDFMSMFR-WCBMZHEXSA-N 1 0 327.182 1.941 20 5 EDBDRO CCCC[N@H+](C)CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000112364047 220314739 /nfs/dbraw/zinc/31/47/39/220314739.db2.gz RPANWTBENDTQPW-UHFFFAOYSA-N 1 0 329.422 1.746 20 5 EDBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CCCN2CCOCC2)CC1 ZINC000072024474 285163633 /nfs/dbraw/zinc/16/36/33/285163633.db2.gz UUQSXTAVIADDAP-UHFFFAOYSA-N 1 0 334.420 1.439 20 5 EDBDRO CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC[N@H+](C)C1 ZINC000153700031 224144832 /nfs/dbraw/zinc/14/48/32/224144832.db2.gz XFVLBZYPHASAOL-HNNXBMFYSA-N 1 0 343.387 1.947 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCC[C@@H]1[NH+](C)C ZINC000429320088 254508659 /nfs/dbraw/zinc/50/86/59/254508659.db2.gz AFGMOUSNSXBYKS-RYUDHWBXSA-N 1 0 343.405 1.364 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415754872 304265798 /nfs/dbraw/zinc/26/57/98/304265798.db2.gz ZZNGIPMYTRTRIV-CHWSQXEVSA-N 1 0 346.387 1.218 20 5 EDBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000449125189 254639779 /nfs/dbraw/zinc/63/97/79/254639779.db2.gz QSFHUPLCHQSBMB-AWEZNQCLSA-N 1 0 348.447 1.668 20 5 EDBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000449205694 254641265 /nfs/dbraw/zinc/64/12/65/254641265.db2.gz OPRKIXNSKANJSJ-INWMFGNUSA-N 1 0 335.404 1.751 20 5 EDBDRO C[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccn(C)n1 ZINC000459784078 255001125 /nfs/dbraw/zinc/00/11/25/255001125.db2.gz IXMUYUKYFXIDLB-LLVKDONJSA-N 1 0 345.359 1.977 20 5 EDBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000493820355 255222757 /nfs/dbraw/zinc/22/27/57/255222757.db2.gz LGUUAGBPQXCPDA-BFOXKCCLSA-N 1 0 335.335 1.336 20 5 EDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000493121942 255192570 /nfs/dbraw/zinc/19/25/70/255192570.db2.gz SHLLBOROSMWGDF-VGOKWCNXSA-N 1 0 331.372 1.181 20 5 EDBDRO C[C@H]1OCC[C@]1(C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000494226691 255242554 /nfs/dbraw/zinc/24/25/54/255242554.db2.gz JLEOGDSOEYPNNT-RISCZKNCSA-N 1 0 328.390 1.526 20 5 EDBDRO O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000496215273 255365356 /nfs/dbraw/zinc/36/53/56/255365356.db2.gz WVIQCNODDXAMHQ-CYBMUJFWSA-N 1 0 337.380 1.534 20 5 EDBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000118722347 221173416 /nfs/dbraw/zinc/17/34/16/221173416.db2.gz RMQSJRDYNIHOLC-UHFFFAOYSA-N 1 0 347.375 1.048 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000119346401 221300209 /nfs/dbraw/zinc/30/02/09/221300209.db2.gz WMEPAYOLSQTVOS-ZIAGYGMSSA-N 1 0 335.408 1.433 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000155181900 224372770 /nfs/dbraw/zinc/37/27/70/224372770.db2.gz PRPWPUTUOJFUMI-CQSZACIVSA-N 1 0 325.390 1.110 20 5 EDBDRO C[N@H+](CCCO)C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000270402193 140093479 /nfs/dbraw/zinc/09/34/79/140093479.db2.gz VVVZABLBVKZHDK-UHFFFAOYSA-N 1 0 349.431 1.833 20 5 EDBDRO Cc1c(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000272323635 140436655 /nfs/dbraw/zinc/43/66/55/140436655.db2.gz ULBFXCHEZUDOCX-QWRGUYRKSA-N 1 0 336.348 1.929 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000332331889 141163875 /nfs/dbraw/zinc/16/38/75/141163875.db2.gz SXTONBSKLWHDFP-WCQYABFASA-N 1 0 336.396 1.278 20 5 EDBDRO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000340235594 142315176 /nfs/dbraw/zinc/31/51/76/142315176.db2.gz HQLCBKRCMFZEJR-HNNXBMFYSA-N 1 0 330.388 1.946 20 5 EDBDRO NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000342704435 142747607 /nfs/dbraw/zinc/74/76/07/142747607.db2.gz FBABKBWGCCQIMH-INIZCTEOSA-N 1 0 331.347 1.963 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1Cn1ccnn1 ZINC000344402397 142961820 /nfs/dbraw/zinc/96/18/20/142961820.db2.gz XYXWPNLBJVKMDW-UONOGXRCSA-N 1 0 347.375 1.091 20 5 EDBDRO Cn1nccc1[C@H]1[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)CCC[N@@H+]1C ZINC000345166022 143060241 /nfs/dbraw/zinc/06/02/41/143060241.db2.gz VOBFCEPDJWFFNH-IAQYHMDHSA-N 1 0 347.375 1.734 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000346259934 143184483 /nfs/dbraw/zinc/18/44/83/143184483.db2.gz KGHSPBUSCBNWEI-VNHYZAJKSA-N 1 0 349.435 1.679 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000347209196 143295052 /nfs/dbraw/zinc/29/50/52/143295052.db2.gz OBFPHJCFCSUAEY-UHFFFAOYSA-N 1 0 341.433 1.866 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1-c1nc([C@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000347325618 143308882 /nfs/dbraw/zinc/30/88/82/143308882.db2.gz HEKSMXIFOUQBJE-YGRLFVJLSA-N 1 0 334.336 1.304 20 5 EDBDRO COc1cc(OCC(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000347955751 143383304 /nfs/dbraw/zinc/38/33/04/143383304.db2.gz SZQOMXJALYGJSK-OAHLLOKOSA-N 1 0 349.387 1.535 20 5 EDBDRO CC[NH2+]CC1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000572825900 306599876 /nfs/dbraw/zinc/59/98/76/306599876.db2.gz WFMOEOUOGBQMHA-UHFFFAOYSA-N 1 0 348.403 1.059 20 5 EDBDRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000416562021 304332047 /nfs/dbraw/zinc/33/20/47/304332047.db2.gz NSHJNJSKMAIAMU-GFCCVEGCSA-N 1 0 327.406 1.605 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000352852053 149189593 /nfs/dbraw/zinc/18/95/93/149189593.db2.gz CZFPTXUDBLPGTE-LBPRGKRZSA-N 1 0 337.376 1.180 20 5 EDBDRO C[C@@H]1CC[N@H+](C)CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000352874438 149199029 /nfs/dbraw/zinc/19/90/29/149199029.db2.gz VZBNMJGDZZQWNS-GFCCVEGCSA-N 1 0 327.406 1.451 20 5 EDBDRO COC(=O)COc1ccc(C[N@H+](C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000354921338 150032899 /nfs/dbraw/zinc/03/28/99/150032899.db2.gz LHTSWBQTXVGAMT-CYBMUJFWSA-N 1 0 338.360 1.757 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@H]2CCCOCC2)c1 ZINC000356681956 150750262 /nfs/dbraw/zinc/75/02/62/150750262.db2.gz RFKTYNDPFDMNIM-LBPRGKRZSA-N 1 0 343.405 1.032 20 5 EDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573740080 306632158 /nfs/dbraw/zinc/63/21/58/306632158.db2.gz FACHBIXHEXMECV-YPMHNXCESA-N 1 0 334.376 1.053 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000357072076 150911841 /nfs/dbraw/zinc/91/18/41/150911841.db2.gz DFWIKFQFYWEGOC-CHWSQXEVSA-N 1 0 348.403 1.473 20 5 EDBDRO C[NH+]1CCN(CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000357494372 151047490 /nfs/dbraw/zinc/04/74/90/151047490.db2.gz NEPAEBDDBXQZGD-UHFFFAOYSA-N 1 0 338.383 1.030 20 5 EDBDRO CCCc1n[nH]c(C(=O)N2CCC3(CC[NH2+]CC3)CC2)c1[N+](=O)[O-] ZINC000357885717 151184442 /nfs/dbraw/zinc/18/44/42/151184442.db2.gz WVTBLMXLCPBOLR-UHFFFAOYSA-N 1 0 335.408 1.876 20 5 EDBDRO C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N(C)c1ccccc1 ZINC000573834117 306636479 /nfs/dbraw/zinc/63/64/79/306636479.db2.gz MFPCIDBCWPXEGV-XJKSGUPXSA-N 1 0 333.392 1.267 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](CO)[C@@H]2CCOC2)n1 ZINC000360873207 152237739 /nfs/dbraw/zinc/23/77/39/152237739.db2.gz OZSTXEIPMQVTLR-APIJFGDWSA-N 1 0 338.408 1.510 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000360893357 152243847 /nfs/dbraw/zinc/24/38/47/152243847.db2.gz CYMBYBSJJRYFIZ-UHFFFAOYSA-N 1 0 334.420 1.659 20 5 EDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC2(C1)CC[NH2+]CC2 ZINC000361049617 152289598 /nfs/dbraw/zinc/28/95/98/152289598.db2.gz SDYLWDSHUSVINM-UHFFFAOYSA-N 1 0 329.360 1.687 20 5 EDBDRO CNc1c(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000361212193 152336019 /nfs/dbraw/zinc/33/60/19/152336019.db2.gz MCKTXSXEANEBMY-LBPRGKRZSA-N 1 0 335.408 1.002 20 5 EDBDRO CN(C(=O)CN1CC[C@H]2CC[N@H+](C)[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000370148813 155348363 /nfs/dbraw/zinc/34/83/63/155348363.db2.gz CMXMHNIFFKHNPC-CJNGLKHVSA-N 1 0 332.404 1.584 20 5 EDBDRO Cc1ccnc(C2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000363800573 153060252 /nfs/dbraw/zinc/06/02/52/153060252.db2.gz NOBHANYKCVMCKJ-HNNXBMFYSA-N 1 0 346.391 1.130 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@H]3CCOC3)CC2)c1 ZINC000363933658 153101122 /nfs/dbraw/zinc/10/11/22/153101122.db2.gz HZEVEFRQLKFBKO-LBPRGKRZSA-N 1 0 335.360 1.150 20 5 EDBDRO [NH3+][C@@H]1CCC[C@]12CCN(S(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000364203949 153173142 /nfs/dbraw/zinc/17/31/42/153173142.db2.gz ZUPONOACJZAATI-ZIAGYGMSSA-N 1 0 325.390 1.487 20 5 EDBDRO O=C(NCCC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000364336233 153208651 /nfs/dbraw/zinc/20/86/51/153208651.db2.gz KFCXZNDNJSAZJH-SNVBAGLBSA-N 1 0 349.313 1.497 20 5 EDBDRO COc1cc(CCNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)c([N+](=O)[O-])cc1OC ZINC000364563245 153272090 /nfs/dbraw/zinc/27/20/90/153272090.db2.gz SEDYQHNEPFJFLA-SJCJKPOMSA-N 1 0 349.387 1.270 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000364648413 153293220 /nfs/dbraw/zinc/29/32/20/153293220.db2.gz ACSMREIHXDMFRW-TZMCWYRMSA-N 1 0 348.403 1.314 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@H]4[C@H](CO)[C@H]4C3)o2)c1 ZINC000366400501 153805536 /nfs/dbraw/zinc/80/55/36/153805536.db2.gz KZZPPGFHAJYGKI-FICVDOATSA-N 1 0 329.356 1.962 20 5 EDBDRO Cn1cc(C[NH+]2CC(C)(C(N)=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000574573370 306653151 /nfs/dbraw/zinc/65/31/51/306653151.db2.gz KOVAMQLIIJFVAQ-UHFFFAOYSA-N 1 0 329.360 1.303 20 5 EDBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371583577 156016576 /nfs/dbraw/zinc/01/65/76/156016576.db2.gz NGCGGWLZWMKRJP-OUCADQQQSA-N 1 0 331.376 1.360 20 5 EDBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000374002413 157101793 /nfs/dbraw/zinc/10/17/93/157101793.db2.gz LGLWOVNAOCCCPI-LDBYLJPUSA-N 1 0 329.400 1.963 20 5 EDBDRO O=C1[C@H]([N@@H+]2CCCC[C@@H](CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374045119 157120292 /nfs/dbraw/zinc/12/02/92/157120292.db2.gz WEROYXAFXZQHAF-CZUORRHYSA-N 1 0 333.388 1.795 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000374183581 157184215 /nfs/dbraw/zinc/18/42/15/157184215.db2.gz OTXWSLHOLPGURZ-VIFPVBQESA-N 1 0 347.368 1.163 20 5 EDBDRO Cc1n[nH]c(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000352140325 162006158 /nfs/dbraw/zinc/00/61/58/162006158.db2.gz KRYJTJXKNQMGBG-CQSZACIVSA-N 1 0 343.387 1.878 20 5 EDBDRO NS(=O)(=O)c1cccc(NCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000352390155 162158054 /nfs/dbraw/zinc/15/80/54/162158054.db2.gz BZTJRLWXZHPDNH-UHFFFAOYSA-N 1 0 328.394 1.140 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000067273307 287244753 /nfs/dbraw/zinc/24/47/53/287244753.db2.gz PZGVYYPVINIEQM-GQCTYLIASA-N 1 0 325.340 1.442 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000160031135 225322361 /nfs/dbraw/zinc/32/23/61/225322361.db2.gz YTUKJXRVCZWVEN-UHFFFAOYSA-N 1 0 343.387 1.723 20 5 EDBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1[nH]ncc1[N+](=O)[O-] ZINC000159843953 225288599 /nfs/dbraw/zinc/28/85/99/225288599.db2.gz RZMDQVYPZHSOOV-UHFFFAOYSA-N 1 0 329.360 1.496 20 5 EDBDRO C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000125400182 287406492 /nfs/dbraw/zinc/40/64/92/287406492.db2.gz DNFKGRAEDCHNQY-LBPRGKRZSA-N 1 0 343.449 1.991 20 5 EDBDRO Cc1sc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000123099398 222215457 /nfs/dbraw/zinc/21/54/57/222215457.db2.gz SNARSNUGYJTBOV-JTQLQIEISA-N 1 0 345.446 1.727 20 5 EDBDRO CC(C)([NH3+])CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418418971 304494204 /nfs/dbraw/zinc/49/42/04/304494204.db2.gz YLQKKDRCWRHFHC-UHFFFAOYSA-N 1 0 336.392 1.885 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000273315003 268022979 /nfs/dbraw/zinc/02/29/79/268022979.db2.gz JEBQLEBXYGSPRQ-HZPDHXFCSA-N 1 0 349.431 1.895 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000273722163 268077882 /nfs/dbraw/zinc/07/78/82/268077882.db2.gz GTMJUHOUMFUGAF-CQSZACIVSA-N 1 0 339.417 1.844 20 5 EDBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000274073322 268103994 /nfs/dbraw/zinc/10/39/94/268103994.db2.gz CJSMFQJABRQUPX-INIZCTEOSA-N 1 0 333.344 1.192 20 5 EDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000274780584 268204774 /nfs/dbraw/zinc/20/47/74/268204774.db2.gz LHIOEBYFDPTJJU-PWSUYJOCSA-N 1 0 325.390 1.262 20 5 EDBDRO COCC[N@H+](CC(C)C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273088929 273028103 /nfs/dbraw/zinc/02/81/03/273028103.db2.gz ZLWQIPMIZFETHQ-CQSZACIVSA-N 1 0 326.393 1.939 20 5 EDBDRO C[C@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000275565621 268361148 /nfs/dbraw/zinc/36/11/48/268361148.db2.gz OCDWHVOOEWGALA-RYUDHWBXSA-N 1 0 343.387 1.803 20 5 EDBDRO C[C@@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ncn(C)n1 ZINC000275751535 268372270 /nfs/dbraw/zinc/37/22/70/268372270.db2.gz RUOBHKOEIXWUTN-WDEREUQCSA-N 1 0 332.364 1.791 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCC1 ZINC000275830542 268375707 /nfs/dbraw/zinc/37/57/07/268375707.db2.gz FXSPRBIFKCFWRZ-UHFFFAOYSA-N 1 0 343.387 1.995 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000274340758 273085617 /nfs/dbraw/zinc/08/56/17/273085617.db2.gz DRTDPRXHJAZHAF-NSHDSACASA-N 1 0 327.768 1.699 20 5 EDBDRO COc1cccc([C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[NH+](C)C)c1 ZINC000044669793 272911122 /nfs/dbraw/zinc/91/11/22/272911122.db2.gz OMZYFBDMMLFFOF-OAHLLOKOSA-N 1 0 347.375 1.219 20 5 EDBDRO CC[NH+](CC)Cc1ccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000048315103 272914464 /nfs/dbraw/zinc/91/44/64/272914464.db2.gz VYDKBVZDXPHHFS-UHFFFAOYSA-N 1 0 346.391 1.345 20 5 EDBDRO Cc1nn(Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000101665133 272918137 /nfs/dbraw/zinc/91/81/37/272918137.db2.gz JSUYKBGPOKVFPW-UHFFFAOYSA-N 1 0 345.403 1.748 20 5 EDBDRO O=C(NCC[NH+]1CCCCC1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278166963 273251055 /nfs/dbraw/zinc/25/10/55/273251055.db2.gz DOAOUPZASVTNOU-UHFFFAOYSA-N 1 0 346.391 1.756 20 5 EDBDRO COC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000279143938 273283193 /nfs/dbraw/zinc/28/31/93/273283193.db2.gz XUVPNDMRZZURSN-BPUTZDHNSA-N 1 0 340.376 1.118 20 5 EDBDRO CN(C)c1cc(F)c(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000279446572 273298744 /nfs/dbraw/zinc/29/87/44/273298744.db2.gz NSBSUWNZUUAHCS-NSHDSACASA-N 1 0 338.383 1.966 20 5 EDBDRO Cc1cc(OCC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000280566323 273371997 /nfs/dbraw/zinc/37/19/97/273371997.db2.gz OHDMPJDALSFHQU-CYBMUJFWSA-N 1 0 333.388 1.883 20 5 EDBDRO C[NH+](C)CC1(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000281553235 273490701 /nfs/dbraw/zinc/49/07/01/273490701.db2.gz OFDLEEKGFQIPLA-UHFFFAOYSA-N 1 0 341.433 1.541 20 5 EDBDRO Cc1c(C[N@@H+]2CCC[C@](O)(Cn3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000284458534 274209250 /nfs/dbraw/zinc/20/92/50/274209250.db2.gz CHRZPKUDWQWHGK-MRXNPFEDSA-N 1 0 331.376 1.522 20 5 EDBDRO Cc1cc(N2CC[C@](O)(c3cn[nH]n3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000284518107 274231260 /nfs/dbraw/zinc/23/12/60/274231260.db2.gz LPQGIYTWBUUPHY-MRXNPFEDSA-N 1 0 340.343 1.667 20 5 EDBDRO CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc(F)cc2[N+](=O)[O-])[N@H+](C)C1 ZINC000284658396 274282506 /nfs/dbraw/zinc/28/25/06/274282506.db2.gz NSLTZUSCXOXBKL-RYUDHWBXSA-N 1 0 325.340 1.525 20 5 EDBDRO CO[C@@H]1C[C@@H](CO)[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000284664599 274285009 /nfs/dbraw/zinc/28/50/09/274285009.db2.gz QJTLGQVTSZJRBF-NWDGAFQWSA-N 1 0 341.339 1.144 20 5 EDBDRO CO[C@@H]1C[C@@H](CO)[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000284673325 274288859 /nfs/dbraw/zinc/28/88/59/274288859.db2.gz RCEQNFDZTBURIW-LSDHHAIUSA-N 1 0 347.371 1.874 20 5 EDBDRO C[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000373865488 274592539 /nfs/dbraw/zinc/59/25/39/274592539.db2.gz JCNJTFXOLKMWGQ-ZFWWWQNUSA-N 1 0 333.436 1.639 20 5 EDBDRO Cn1ccnc1C(=O)c1ccc(N2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000420195489 274896913 /nfs/dbraw/zinc/89/69/13/274896913.db2.gz HFWLJGWWUZRHLG-GFCCVEGCSA-N 1 0 329.360 1.487 20 5 EDBDRO O=C1[C@@H](N2CC[N@@H+]3CCC[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000246053447 275027728 /nfs/dbraw/zinc/02/77/28/275027728.db2.gz WIVHVFHFPCOHCC-HOTGVXAUSA-N 1 0 330.388 1.480 20 5 EDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2(CO)CCOCC2)n1 ZINC000332050903 275040500 /nfs/dbraw/zinc/04/05/00/275040500.db2.gz MWMYGXVFLKTFBR-KGLIPLIRSA-N 1 0 338.408 1.654 20 5 EDBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000266293083 276074622 /nfs/dbraw/zinc/07/46/22/276074622.db2.gz MAWLHZYVORHLHD-LLVKDONJSA-N 1 0 345.396 1.696 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC000102183758 276130675 /nfs/dbraw/zinc/13/06/75/276130675.db2.gz BPLILVUPEQECHH-UHFFFAOYSA-N 1 0 327.406 1.666 20 5 EDBDRO CCOC(=O)c1ccnc(N2CCC3(CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000420266759 276300591 /nfs/dbraw/zinc/30/05/91/276300591.db2.gz XLEPAVYKKRDZLX-UHFFFAOYSA-N 1 0 334.376 1.746 20 5 EDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000341701851 276331011 /nfs/dbraw/zinc/33/10/11/276331011.db2.gz PRSVPVABOSFPDQ-LLVKDONJSA-N 1 0 337.376 1.826 20 5 EDBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000192919722 277198418 /nfs/dbraw/zinc/19/84/18/277198418.db2.gz BEFZUFHURQABFN-AOOOYVTPSA-N 1 0 345.808 1.430 20 5 EDBDRO C[C@@H]([NH3+])C1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000420210542 278305270 /nfs/dbraw/zinc/30/52/70/278305270.db2.gz HFYIMDQYMNCHEA-CQSZACIVSA-N 1 0 348.447 1.991 20 5 EDBDRO C[C@]1(F)C[NH2+]CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000420259783 280164515 /nfs/dbraw/zinc/16/45/15/280164515.db2.gz IDYNHCLHTFHSNW-INIZCTEOSA-N 1 0 336.367 1.625 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000193419343 280654958 /nfs/dbraw/zinc/65/49/58/280654958.db2.gz QAXUXXCYZQABCF-VHSXEESVSA-N 1 0 347.824 1.833 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c1C ZINC000368636073 281015923 /nfs/dbraw/zinc/01/59/23/281015923.db2.gz GZMFGZJOSUIAPJ-QWRGUYRKSA-N 1 0 331.369 1.190 20 5 EDBDRO C[NH+](C)C[C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CCO1 ZINC000266766786 289198783 /nfs/dbraw/zinc/19/87/83/289198783.db2.gz JDPXYBCFYLGIRR-CQSZACIVSA-N 1 0 336.392 1.109 20 5 EDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292225323 289293591 /nfs/dbraw/zinc/29/35/91/289293591.db2.gz VGDHETGXSDMEAM-CXAGYDPISA-N 1 0 332.404 1.949 20 5 EDBDRO COc1ccc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000292553112 289379498 /nfs/dbraw/zinc/37/94/98/289379498.db2.gz HRQLUMOXXSUZEM-JTQLQIEISA-N 1 0 331.394 1.079 20 5 EDBDRO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[NH2+]1 ZINC000418593244 304515758 /nfs/dbraw/zinc/51/57/58/304515758.db2.gz DRNIOUPYMODXKH-KGLIPLIRSA-N 1 0 347.419 1.567 20 5 EDBDRO [NH3+]C1(CNC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCC1 ZINC000420093654 304735848 /nfs/dbraw/zinc/73/58/48/304735848.db2.gz PZXQXBOWUIYDOA-UHFFFAOYSA-N 1 0 346.387 1.083 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)cc1C ZINC000237666387 301425541 /nfs/dbraw/zinc/42/55/41/301425541.db2.gz DUQHSYFMWWHZPO-LBPRGKRZSA-N 1 0 327.406 1.571 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1C ZINC000248561790 301426860 /nfs/dbraw/zinc/42/68/60/301426860.db2.gz AYWMQGLSNTVCDD-YNEHKIRRSA-N 1 0 339.417 1.569 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000420437856 304757876 /nfs/dbraw/zinc/75/78/76/304757876.db2.gz DASSRNNCBLCRFK-LLVKDONJSA-N 1 0 335.332 1.179 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000420447835 304759765 /nfs/dbraw/zinc/75/97/65/304759765.db2.gz JBCFAIMXLFNQJE-DGCLKSJQSA-N 1 0 327.406 1.136 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C[NH3+])CC(C)C)c1C ZINC000124234529 301860900 /nfs/dbraw/zinc/86/09/00/301860900.db2.gz ROGCEDXEKMDWSQ-LBPRGKRZSA-N 1 0 329.422 1.863 20 5 EDBDRO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1CCO ZINC000456206766 447325000 /nfs/dbraw/zinc/32/50/00/447325000.db2.gz FKJMNXVQDPCVJP-OKILXGFUSA-N 1 0 335.404 1.441 20 5 EDBDRO CC[C@@H]([NH3+])CNC(=O)CCCn1c2ccc([N+](=O)[O-])cc2oc1=O ZINC000295257701 303195249 /nfs/dbraw/zinc/19/52/49/303195249.db2.gz RAGLBGKKYXCCLQ-SNVBAGLBSA-N 1 0 336.348 1.136 20 5 EDBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000299659267 303644508 /nfs/dbraw/zinc/64/45/08/303644508.db2.gz VDWNKNWZBNRBNY-ZIAGYGMSSA-N 1 0 349.435 1.554 20 5 EDBDRO C[NH+](C)C1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000420721092 304776105 /nfs/dbraw/zinc/77/61/05/304776105.db2.gz CKZHZBBQHQORLJ-UHFFFAOYSA-N 1 0 333.435 1.807 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)n1 ZINC000427386533 304990042 /nfs/dbraw/zinc/99/00/42/304990042.db2.gz HYCPUWWGNCBQKU-ZDUSSCGKSA-N 1 0 335.408 1.615 20 5 EDBDRO CCC([NH3+])(CC)CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000429651708 305033994 /nfs/dbraw/zinc/03/39/94/305033994.db2.gz IGUWNEUEGVFDTR-UHFFFAOYSA-N 1 0 325.365 1.859 20 5 EDBDRO COc1ccc(NC(=O)CCN2C[C@@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430944346 305069761 /nfs/dbraw/zinc/06/97/61/305069761.db2.gz STDBSUIOCRBALI-TXEJJXNPSA-N 1 0 336.392 1.614 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433376943 305106796 /nfs/dbraw/zinc/10/67/96/305106796.db2.gz KZQWORUPAWYMCQ-ZDUSSCGKSA-N 1 0 344.375 1.383 20 5 EDBDRO O=C(NCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448604757 305299337 /nfs/dbraw/zinc/29/93/37/305299337.db2.gz JDMBQKAGYRDKGD-UHFFFAOYSA-N 1 0 329.360 1.606 20 5 EDBDRO CNC(=O)CN1CCC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449074932 305305582 /nfs/dbraw/zinc/30/55/82/305305582.db2.gz LSDPXQQLOJSMEI-CYBMUJFWSA-N 1 0 334.420 1.326 20 5 EDBDRO Cc1ccc(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)cc1[N+](=O)[O-] ZINC000449144852 305307803 /nfs/dbraw/zinc/30/78/03/305307803.db2.gz UYMSQMOCUJKBTG-GFCCVEGCSA-N 1 0 330.348 1.499 20 5 EDBDRO C[C@H]1CCCN(c2ccc(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2[N+](=O)[O-])C1 ZINC000449563726 305313729 /nfs/dbraw/zinc/31/37/29/305313729.db2.gz YBYVIPYDOLNDPF-HVOFVXBASA-N 1 0 344.415 1.779 20 5 EDBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449730943 305318227 /nfs/dbraw/zinc/31/82/27/305318227.db2.gz GXVDJBCFQAFXLD-SMDDNHRTSA-N 1 0 347.371 1.119 20 5 EDBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449731215 305318258 /nfs/dbraw/zinc/31/82/58/305318258.db2.gz URVAHLKDVMGWOK-BLLLJJGKSA-N 1 0 330.388 1.993 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000457393287 305487779 /nfs/dbraw/zinc/48/77/79/305487779.db2.gz ZBAKWFSOQJWBLW-CHWSQXEVSA-N 1 0 347.350 1.424 20 5 EDBDRO CCc1cccc2c1OCC[C@@H]2[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515234200 305717514 /nfs/dbraw/zinc/71/75/14/305717514.db2.gz BIWBFUFDHOIDOA-HOCLYGCPSA-N 1 0 346.387 1.828 20 5 EDBDRO COC(=O)COc1ccc(CN[C@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000414923673 447358625 /nfs/dbraw/zinc/35/86/25/447358625.db2.gz HQCWYKBTBKQNTM-YPMHNXCESA-N 1 0 337.376 1.234 20 5 EDBDRO CCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000517741220 305755556 /nfs/dbraw/zinc/75/55/56/305755556.db2.gz FREGADBPVOYDDX-CHWSQXEVSA-N 1 0 327.406 1.705 20 5 EDBDRO O=C(NCC1=CC[NH2+]CC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000518772300 305764074 /nfs/dbraw/zinc/76/40/74/305764074.db2.gz IIKVPTHVBNUIKB-UHFFFAOYSA-N 1 0 344.415 1.847 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000531882976 305970084 /nfs/dbraw/zinc/97/00/84/305970084.db2.gz FKTUNEXIOBTVIN-UHFFFAOYSA-N 1 0 334.376 1.174 20 5 EDBDRO CC[NH+](CC)CCOCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000543612166 306065856 /nfs/dbraw/zinc/06/58/56/306065856.db2.gz XNTVXKKTLUNRNR-UHFFFAOYSA-N 1 0 327.356 1.822 20 5 EDBDRO C[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000548697226 306135460 /nfs/dbraw/zinc/13/54/60/306135460.db2.gz XYMGJQQXEYKJFI-CYBMUJFWSA-N 1 0 341.433 1.541 20 5 EDBDRO C[C@H](CN1CCOCC1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548825402 306139070 /nfs/dbraw/zinc/13/90/70/306139070.db2.gz TTXHEVAGCWLUQX-CYBMUJFWSA-N 1 0 336.392 1.234 20 5 EDBDRO C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000552308480 306178901 /nfs/dbraw/zinc/17/89/01/306178901.db2.gz VJSMOMMRGZADPU-VIFPVBQESA-N 1 0 342.783 1.044 20 5 EDBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000554013344 306188740 /nfs/dbraw/zinc/18/87/40/306188740.db2.gz UCKBQKXADZAJNT-UKRRQHHQSA-N 1 0 340.401 1.421 20 5 EDBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COC[C@H]1CCCO1 ZINC000554835317 306198454 /nfs/dbraw/zinc/19/84/54/306198454.db2.gz SHGGVTULCONOFZ-DLBZAZTESA-N 1 0 338.404 1.626 20 5 EDBDRO Cc1cc(C)c(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000557224589 306226843 /nfs/dbraw/zinc/22/68/43/306226843.db2.gz DDBWHRBUGLNGGV-AWEZNQCLSA-N 1 0 347.371 1.842 20 5 EDBDRO CCOC(=O)c1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC)cc([N+](=O)[O-])c1 ZINC000044572338 440858252 /nfs/dbraw/zinc/85/82/52/440858252.db2.gz RZNMDWCZACAHLM-AWEZNQCLSA-N 1 0 349.387 1.986 20 5 EDBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000378497105 447434753 /nfs/dbraw/zinc/43/47/53/447434753.db2.gz NRCZFWBBGBMLNJ-LBPRGKRZSA-N 1 0 333.344 1.634 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000057553217 441121012 /nfs/dbraw/zinc/12/10/12/441121012.db2.gz NTNOUBMTHRNPRI-SNVBAGLBSA-N 1 0 333.344 1.333 20 5 EDBDRO Nc1cc(N)[nH+]c(SCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)n1 ZINC000016810170 441232404 /nfs/dbraw/zinc/23/24/04/441232404.db2.gz KWJVMPLBPLWOSH-UHFFFAOYSA-N 1 0 346.372 1.231 20 5 EDBDRO C[NH+]1CCC(O)(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000080880955 441203348 /nfs/dbraw/zinc/20/33/48/441203348.db2.gz MXXYJRVJUFEWJE-UHFFFAOYSA-N 1 0 339.417 1.260 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC(N)=O)C1CCCC1 ZINC000063504360 441334187 /nfs/dbraw/zinc/33/41/87/441334187.db2.gz JJVHODVBCVBNIG-UHFFFAOYSA-N 1 0 348.403 1.962 20 5 EDBDRO CC[NH+]1CCC(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000026956184 441391859 /nfs/dbraw/zinc/39/18/59/441391859.db2.gz BXVFHWYFJWNMKK-UHFFFAOYSA-N 1 0 343.405 1.366 20 5 EDBDRO CCC[N@@H+]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000074354903 441425247 /nfs/dbraw/zinc/42/52/47/441425247.db2.gz GXFCPLZHSSDCPN-UHFFFAOYSA-N 1 0 327.406 1.701 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029179827 441449332 /nfs/dbraw/zinc/44/93/32/441449332.db2.gz WRFMFCMPYPBRCZ-MRXNPFEDSA-N 1 0 343.387 1.745 20 5 EDBDRO C[C@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000088694840 441517296 /nfs/dbraw/zinc/51/72/96/441517296.db2.gz WGZFESZPIVBANT-SMDDNHRTSA-N 1 0 327.406 1.651 20 5 EDBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CN1CCOCC1 ZINC000066483799 441537647 /nfs/dbraw/zinc/53/76/47/441537647.db2.gz HFSALNZUZWMZFS-QGZVFWFLSA-N 1 0 337.420 1.498 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000075717468 441552034 /nfs/dbraw/zinc/55/20/34/441552034.db2.gz NKYSNTAMKXNTTH-BBRMVZONSA-N 1 0 334.351 1.781 20 5 EDBDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000113943452 441628935 /nfs/dbraw/zinc/62/89/35/441628935.db2.gz AYHICKWRZAPTQP-UHFFFAOYSA-N 1 0 347.824 1.963 20 5 EDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)C[NH+]1CCN(C)CC1 ZINC000114379673 441650903 /nfs/dbraw/zinc/65/09/03/441650903.db2.gz UVAXDZABLKKHDT-LBPRGKRZSA-N 1 0 338.383 1.347 20 5 EDBDRO C[NH+](C)C1(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000114415974 441654817 /nfs/dbraw/zinc/65/48/17/441654817.db2.gz IANMOWNVAOERQB-VMPITWQZSA-N 1 0 333.388 1.835 20 5 EDBDRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000038050087 441613568 /nfs/dbraw/zinc/61/35/68/441613568.db2.gz YQDDXKRBFNOKJU-NXEZZACHSA-N 1 0 333.797 1.796 20 5 EDBDRO CC[NH+]1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000041873579 441681287 /nfs/dbraw/zinc/68/12/87/441681287.db2.gz RPSYBTJDBCCGKV-UHFFFAOYSA-N 1 0 336.392 1.570 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000173336862 441717961 /nfs/dbraw/zinc/71/79/61/441717961.db2.gz CRVRGBXOEZDRJV-WCQYABFASA-N 1 0 327.406 1.699 20 5 EDBDRO CNC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000067978724 441704308 /nfs/dbraw/zinc/70/43/08/441704308.db2.gz GVBMIDCZSWSAMF-AWEZNQCLSA-N 1 0 334.376 1.442 20 5 EDBDRO Cc1nn(Cc2ccc(C(=O)N(C)CCC[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000158787468 441763318 /nfs/dbraw/zinc/76/33/18/441763318.db2.gz PDQCZWONSXFPGB-UHFFFAOYSA-N 1 0 345.403 1.877 20 5 EDBDRO COc1cc(OCC(=O)NCCC[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000068858148 441861880 /nfs/dbraw/zinc/86/18/80/441861880.db2.gz MTRYINBMKLQQCZ-UHFFFAOYSA-N 1 0 339.392 1.829 20 5 EDBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000078207453 441906249 /nfs/dbraw/zinc/90/62/49/441906249.db2.gz RNCNBNXBZPMBOY-IAOVAPTHSA-N 1 0 345.399 1.916 20 5 EDBDRO CC(C)[N@@H+]1CC[C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000069000784 441878544 /nfs/dbraw/zinc/87/85/44/441878544.db2.gz BSYDZMOXPWAQMH-SNVBAGLBSA-N 1 0 328.394 1.137 20 5 EDBDRO CCc1ccc(C(=O)NCCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000174098041 441887841 /nfs/dbraw/zinc/88/78/41/441887841.db2.gz GRIGMIFQSVZPMI-UHFFFAOYSA-N 1 0 335.404 1.999 20 5 EDBDRO CCOC(=O)c1ccnc(N2CC[N@H+](C)C[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000078022601 441895363 /nfs/dbraw/zinc/89/53/63/441895363.db2.gz YQXJZWATLGHBKE-CYBMUJFWSA-N 1 0 336.392 1.943 20 5 EDBDRO CNC(=O)CCCN(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000119789355 441952547 /nfs/dbraw/zinc/95/25/47/441952547.db2.gz BBTBFFHGJDBBIA-UHFFFAOYSA-N 1 0 345.359 1.379 20 5 EDBDRO CNc1nc(C(=O)NC2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000456710151 447443364 /nfs/dbraw/zinc/44/33/64/447443364.db2.gz ZPXRKGPZGYLSAY-UHFFFAOYSA-N 1 0 333.392 1.778 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1C ZINC000125208526 441996176 /nfs/dbraw/zinc/99/61/76/441996176.db2.gz CBICKYFXIOKMIU-NEPJUHHUSA-N 1 0 327.406 1.760 20 5 EDBDRO C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[N@H+](C)Cc1ccccc1 ZINC000119993796 441990127 /nfs/dbraw/zinc/99/01/27/441990127.db2.gz RLSWTKPMKRQROZ-GFCCVEGCSA-N 1 0 331.376 1.579 20 5 EDBDRO CC[NH+]1CCC(CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000151308520 442040262 /nfs/dbraw/zinc/04/02/62/442040262.db2.gz VLYJVPLEAURTTJ-UHFFFAOYSA-N 1 0 338.412 1.213 20 5 EDBDRO C[C@H]1CCCN(C(=O)C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000176209018 442191143 /nfs/dbraw/zinc/19/11/43/442191143.db2.gz QVHZNFNENATMAS-AWEZNQCLSA-N 1 0 349.435 1.762 20 5 EDBDRO CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H]1CCC[N@H+](C)C1 ZINC000152353675 442201092 /nfs/dbraw/zinc/20/10/92/442201092.db2.gz AVKGMWFWTMGBAY-AWEZNQCLSA-N 1 0 346.431 1.758 20 5 EDBDRO CCCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)C1CC[NH2+]CC1 ZINC000163362776 442160993 /nfs/dbraw/zinc/16/09/93/442160993.db2.gz PSDBGHYMCDBIRZ-UHFFFAOYSA-N 1 0 337.424 1.789 20 5 EDBDRO COC(=O)CNC(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153257155 442271116 /nfs/dbraw/zinc/27/11/16/442271116.db2.gz MPMCMEVQSXPIJW-UHFFFAOYSA-N 1 0 335.360 1.239 20 5 EDBDRO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000170863743 442278365 /nfs/dbraw/zinc/27/83/65/442278365.db2.gz SDNOXZGYGREPHJ-AWEZNQCLSA-N 1 0 332.404 1.971 20 5 EDBDRO C[C@H]1CN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000153381587 442279372 /nfs/dbraw/zinc/27/93/72/442279372.db2.gz TYDUZLOUSINWRB-RYUDHWBXSA-N 1 0 343.387 1.818 20 5 EDBDRO CC[NH+]1CCC(N(C)C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154707234 442353144 /nfs/dbraw/zinc/35/31/44/442353144.db2.gz JMNRMWNFGARYLB-UHFFFAOYSA-N 1 0 348.403 1.267 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000171900203 442388797 /nfs/dbraw/zinc/38/87/97/442388797.db2.gz JTEMXPZTXFRYKA-CQSZACIVSA-N 1 0 336.392 1.505 20 5 EDBDRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000172156112 442417164 /nfs/dbraw/zinc/41/71/64/442417164.db2.gz QFAIJMSOGRTZTA-ZDUSSCGKSA-N 1 0 346.343 1.855 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[N@@H+](C2CC2)CC1 ZINC000172347133 442448145 /nfs/dbraw/zinc/44/81/45/442448145.db2.gz QIFMXVZHDWEVHY-UHFFFAOYSA-N 1 0 348.403 1.712 20 5 EDBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H](C)OC)c([N+](=O)[O-])c1 ZINC000191710534 442494916 /nfs/dbraw/zinc/49/49/16/442494916.db2.gz MRRSMQWRMMQOEF-HBNTYKKESA-N 1 0 325.365 1.943 20 5 EDBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](CO)C(C)(C)C ZINC000134410547 442480494 /nfs/dbraw/zinc/48/04/94/442480494.db2.gz RPBAEHPUJMXFFS-ZFWWWQNUSA-N 1 0 326.393 1.673 20 5 EDBDRO C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000186473801 442542144 /nfs/dbraw/zinc/54/21/44/442542144.db2.gz VKKUJBVMHPBAHT-FZMZJTMJSA-N 1 0 331.376 1.750 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)c([N+](=O)[O-])c1 ZINC000192027696 442573307 /nfs/dbraw/zinc/57/33/07/442573307.db2.gz VOBZFOZEBIAHOU-LBPRGKRZSA-N 1 0 343.405 1.399 20 5 EDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000186709685 442597861 /nfs/dbraw/zinc/59/78/61/442597861.db2.gz CEODWIXKUPCESX-VXGBXAGGSA-N 1 0 347.419 1.955 20 5 EDBDRO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000179220565 442599082 /nfs/dbraw/zinc/59/90/82/442599082.db2.gz NEVGJXCTKWRXGX-GFCCVEGCSA-N 1 0 337.376 1.420 20 5 EDBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000158097520 442646177 /nfs/dbraw/zinc/64/61/77/442646177.db2.gz YUPAPSTXCYMRKZ-OAHLLOKOSA-N 1 0 332.364 1.279 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000173237840 442629544 /nfs/dbraw/zinc/62/95/44/442629544.db2.gz VSLCCXIRZASYBI-FZMZJTMJSA-N 1 0 327.406 1.556 20 5 EDBDRO COc1cc(CCNC(=O)CC[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000193182639 442720314 /nfs/dbraw/zinc/72/03/14/442720314.db2.gz RJBZOAUOFCNJRP-SNVBAGLBSA-N 1 0 325.365 1.398 20 5 EDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000182219823 442746779 /nfs/dbraw/zinc/74/67/79/442746779.db2.gz VZKCNLNLSKQAHX-NRXISQOPSA-N 1 0 338.404 1.817 20 5 EDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000193505286 442749280 /nfs/dbraw/zinc/74/92/80/442749280.db2.gz BFMLJSFWKGIAAZ-GWCFXTLKSA-N 1 0 330.348 1.046 20 5 EDBDRO Cc1ccc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000188681428 442786686 /nfs/dbraw/zinc/78/66/86/442786686.db2.gz ZRTAWWAJHNEOQL-ZDUSSCGKSA-N 1 0 335.404 1.820 20 5 EDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000268040706 442826621 /nfs/dbraw/zinc/82/66/21/442826621.db2.gz XYSYSSIHCOSHHP-OAHLLOKOSA-N 1 0 339.392 1.447 20 5 EDBDRO CCN(CCC[NH+](C)C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000188959766 442849421 /nfs/dbraw/zinc/84/94/21/442849421.db2.gz PMRFDFVNWVVWJM-UHFFFAOYSA-N 1 0 346.387 1.850 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000268167515 442881050 /nfs/dbraw/zinc/88/10/50/442881050.db2.gz DQYDQZADHVOIQB-OCCSQVGLSA-N 1 0 332.404 1.630 20 5 EDBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000268186567 442889749 /nfs/dbraw/zinc/88/97/49/442889749.db2.gz MFPVNLHOHRJTOF-YMTOWFKASA-N 1 0 329.360 1.684 20 5 EDBDRO Cc1c(F)cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000248478097 442896154 /nfs/dbraw/zinc/89/61/54/442896154.db2.gz PIBPYVUJLSSTNN-NSHDSACASA-N 1 0 343.380 1.511 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000183327845 318522384 /nfs/dbraw/zinc/52/23/84/318522384.db2.gz GTUYZEOHGPDOLD-UHFFFAOYSA-N 1 0 346.431 1.643 20 5 EDBDRO COc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])c1OC ZINC000265933912 442974821 /nfs/dbraw/zinc/97/48/21/442974821.db2.gz GRNODYZARVQSFS-LBPRGKRZSA-N 1 0 335.360 1.532 20 5 EDBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000265990676 442995975 /nfs/dbraw/zinc/99/59/75/442995975.db2.gz MBRIKGLAKGEBCS-NEPJUHHUSA-N 1 0 349.387 1.921 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000189943816 443033829 /nfs/dbraw/zinc/03/38/29/443033829.db2.gz DQDYIJQGEYCMSF-GFCCVEGCSA-N 1 0 327.406 1.536 20 5 EDBDRO C[C@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000266157295 443038589 /nfs/dbraw/zinc/03/85/89/443038589.db2.gz IDQMRJKJSDNJDC-WFASDCNBSA-N 1 0 348.403 1.123 20 5 EDBDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000184570737 443040730 /nfs/dbraw/zinc/04/07/30/443040730.db2.gz MIJKTVXFBZYDLS-TZMCWYRMSA-N 1 0 341.433 1.839 20 5 EDBDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000184803178 443078381 /nfs/dbraw/zinc/07/83/81/443078381.db2.gz VJTXKLTZPKEOSR-SDDRHHMPSA-N 1 0 334.376 1.556 20 5 EDBDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000268802014 443112526 /nfs/dbraw/zinc/11/25/26/443112526.db2.gz PKAFQMHSEJSZAE-AWEZNQCLSA-N 1 0 327.406 1.451 20 5 EDBDRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000261739238 443167382 /nfs/dbraw/zinc/16/73/82/443167382.db2.gz KJWBTYJMOYGVBX-LBPRGKRZSA-N 1 0 333.797 1.608 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000261846081 443171600 /nfs/dbraw/zinc/17/16/00/443171600.db2.gz DANIDKDEVFSBGE-GFCCVEGCSA-N 1 0 327.406 1.795 20 5 EDBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000266520108 443155039 /nfs/dbraw/zinc/15/50/39/443155039.db2.gz ZMOYYOZGFLFWGD-SKDRFNHKSA-N 1 0 326.303 1.781 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000269182209 443225110 /nfs/dbraw/zinc/22/51/10/443225110.db2.gz DVGJJAMZCVJCOU-UHFFFAOYSA-N 1 0 328.328 1.041 20 5 EDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000266697651 443211445 /nfs/dbraw/zinc/21/14/45/443211445.db2.gz FBEFDOHYSFJRDX-UHFFFAOYSA-N 1 0 339.417 1.503 20 5 EDBDRO CCc1[nH]nc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)c1[N+](=O)[O-] ZINC000351239968 319097953 /nfs/dbraw/zinc/09/79/53/319097953.db2.gz IBLOAIDCUFQSJA-BONVTDFDSA-N 1 0 348.363 1.856 20 5 EDBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413805025 319291124 /nfs/dbraw/zinc/29/11/24/319291124.db2.gz ZTQXLPJCTGXBJX-BHYGNILZSA-N 1 0 347.415 1.661 20 5 EDBDRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185780028 443255915 /nfs/dbraw/zinc/25/59/15/443255915.db2.gz WPJUGJOMZXZDML-ZDUSSCGKSA-N 1 0 327.406 1.748 20 5 EDBDRO Cc1cc(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000416429552 319423819 /nfs/dbraw/zinc/42/38/19/319423819.db2.gz ZFOOHHIYLYUZKZ-CYBMUJFWSA-N 1 0 347.396 1.982 20 5 EDBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000264428292 443288807 /nfs/dbraw/zinc/28/88/07/443288807.db2.gz AGLJRGZRLYLFDY-HVHJFMEUSA-N 1 0 346.387 1.064 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000266956253 443302561 /nfs/dbraw/zinc/30/25/61/443302561.db2.gz VNQSYZVAIYXKJT-UKRRQHHQSA-N 1 0 346.387 1.937 20 5 EDBDRO CCc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000266976712 443307415 /nfs/dbraw/zinc/30/74/15/443307415.db2.gz YEZIGPOMTZGPKG-AWEZNQCLSA-N 1 0 348.403 1.227 20 5 EDBDRO CNS(=O)(=O)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417337742 319493138 /nfs/dbraw/zinc/49/31/38/319493138.db2.gz XLJZAOCYSHEBSZ-AWEZNQCLSA-N 1 0 327.406 1.501 20 5 EDBDRO CCN(CCC[NH+](C)C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278605066 443375490 /nfs/dbraw/zinc/37/54/90/443375490.db2.gz GBENDZYYAHIKQJ-UHFFFAOYSA-N 1 0 348.407 1.954 20 5 EDBDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000269594436 443359205 /nfs/dbraw/zinc/35/92/05/443359205.db2.gz NLXFLJLIIXESPZ-GFCCVEGCSA-N 1 0 325.340 1.311 20 5 EDBDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000419276126 319580815 /nfs/dbraw/zinc/58/08/15/319580815.db2.gz SSSBHJLSGHWMLD-JQWIXIFHSA-N 1 0 336.392 1.052 20 5 EDBDRO Cc1n[nH]c(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000264769097 443415872 /nfs/dbraw/zinc/41/58/72/443415872.db2.gz OCJKWNGSYXPPLN-NSHDSACASA-N 1 0 331.376 1.877 20 5 EDBDRO COc1ccc(NC(=O)CCN2C[C@@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000420398165 319616049 /nfs/dbraw/zinc/61/60/49/319616049.db2.gz NBGKEUDBZAZYAH-NEPJUHHUSA-N 1 0 336.392 1.614 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000420446330 319620566 /nfs/dbraw/zinc/62/05/66/319620566.db2.gz BCWOJDDXAQSJSA-DTWKUNHWSA-N 1 0 347.368 1.148 20 5 EDBDRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278785103 443438119 /nfs/dbraw/zinc/43/81/19/443438119.db2.gz VYVMSZOYTMPJKV-NSHDSACASA-N 1 0 346.391 1.564 20 5 EDBDRO C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272895201 443482200 /nfs/dbraw/zinc/48/22/00/443482200.db2.gz IQGCOXVFRQMZPB-VXGBXAGGSA-N 1 0 335.408 1.711 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC2(CC[NH2+]2)CC1 ZINC000422633862 319722851 /nfs/dbraw/zinc/72/28/51/319722851.db2.gz IWWDVNDISSZTPK-UHFFFAOYSA-N 1 0 334.376 1.370 20 5 EDBDRO COc1cc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000273040022 443525986 /nfs/dbraw/zinc/52/59/86/443525986.db2.gz WACGUKQLRUMDCX-LLVKDONJSA-N 1 0 349.387 1.992 20 5 EDBDRO CC[C@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000273450528 443574838 /nfs/dbraw/zinc/57/48/38/443574838.db2.gz FWDLDWFNVKIGCG-LLVKDONJSA-N 1 0 342.421 1.529 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000273146131 443550033 /nfs/dbraw/zinc/55/00/33/443550033.db2.gz XYLTVUJGAMQQAA-LBPRGKRZSA-N 1 0 337.376 1.188 20 5 EDBDRO [NH3+]CC1(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCC1 ZINC000429408181 319928126 /nfs/dbraw/zinc/92/81/26/319928126.db2.gz SDWFXDDWDDEYAO-UHFFFAOYSA-N 1 0 335.360 1.296 20 5 EDBDRO COCC[NH+](CCOC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283572446 443663869 /nfs/dbraw/zinc/66/38/69/443663869.db2.gz QMWDEMGPANHQNX-UHFFFAOYSA-N 1 0 325.365 1.518 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC[NH3+])C(F)F)cc1OC ZINC000449612520 320194325 /nfs/dbraw/zinc/19/43/25/320194325.db2.gz MPMBBZOZCFUQCU-VIFPVBQESA-N 1 0 347.318 1.714 20 5 EDBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449735693 320203017 /nfs/dbraw/zinc/20/30/17/320203017.db2.gz SAUXVXXUVXLMPU-BLLLJJGKSA-N 1 0 341.371 1.605 20 5 EDBDRO O=C(CC[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000493603743 320395953 /nfs/dbraw/zinc/39/59/53/320395953.db2.gz CFPLFKJBSHHYMH-RISCZKNCSA-N 1 0 348.359 1.354 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000517957743 320453842 /nfs/dbraw/zinc/45/38/42/320453842.db2.gz VRWOOFZPTIEBJV-UONOGXRCSA-N 1 0 337.376 1.681 20 5 EDBDRO C[C@H]1C[N@H+](CCCNc2nccc(C(N)=O)c2[N+](=O)[O-])CCCO1 ZINC000290970254 443724013 /nfs/dbraw/zinc/72/40/13/443724013.db2.gz PSWNYHNCKSPDTI-NSHDSACASA-N 1 0 337.380 1.002 20 5 EDBDRO COC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000280691133 443740532 /nfs/dbraw/zinc/74/05/32/443740532.db2.gz HPNZZJXQEFDKHH-UHIISALHSA-N 1 0 335.360 1.663 20 5 EDBDRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000276548104 443742931 /nfs/dbraw/zinc/74/29/31/443742931.db2.gz JXHRGJBJEZJRNU-LBPRGKRZSA-N 1 0 327.406 1.746 20 5 EDBDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000288180621 443796253 /nfs/dbraw/zinc/79/62/53/443796253.db2.gz DYOCAOANMGHQTP-GFCCVEGCSA-N 1 0 341.795 1.825 20 5 EDBDRO C[C@@H](CO)[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000276622785 443768557 /nfs/dbraw/zinc/76/85/57/443768557.db2.gz UWUPSNFYRFGVAK-ZFWWWQNUSA-N 1 0 338.404 1.960 20 5 EDBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1 ZINC000292966781 443890481 /nfs/dbraw/zinc/89/04/81/443890481.db2.gz LYVXHIRVRSGOGF-OAHLLOKOSA-N 1 0 347.375 1.395 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000537943698 320739950 /nfs/dbraw/zinc/73/99/50/320739950.db2.gz XLGPVGXLAVLRNK-TZMCWYRMSA-N 1 0 341.433 1.978 20 5 EDBDRO C[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285344417 443949574 /nfs/dbraw/zinc/94/95/74/443949574.db2.gz UXXUMRILCFKGCZ-GFCCVEGCSA-N 1 0 339.392 1.386 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000299451949 444050751 /nfs/dbraw/zinc/05/07/51/444050751.db2.gz TWXMODOGSPCLEG-GFCCVEGCSA-N 1 0 337.351 1.809 20 5 EDBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289206501 444076618 /nfs/dbraw/zinc/07/66/18/444076618.db2.gz KASHDFLATADGDI-QGZVFWFLSA-N 1 0 333.388 1.966 20 5 EDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285707465 444079444 /nfs/dbraw/zinc/07/94/44/444079444.db2.gz JDHVQYGPIDIRMZ-HZPDHXFCSA-N 1 0 333.388 1.459 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1CNC1(CCO)CC[NH+](C)CC1 ZINC000563417494 321110026 /nfs/dbraw/zinc/11/00/26/321110026.db2.gz MPBHWGGZVSVMKY-UHFFFAOYSA-N 1 0 337.420 1.930 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000564018958 321119066 /nfs/dbraw/zinc/11/90/66/321119066.db2.gz XAVQWKZAKOKZBN-LBPRGKRZSA-N 1 0 349.387 1.922 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1[NH2+]CCc2ccccc21 ZINC000564990764 321163261 /nfs/dbraw/zinc/16/32/61/321163261.db2.gz MJJHCWWNJNNXIY-KRWDZBQOSA-N 1 0 341.367 1.977 20 5 EDBDRO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000565190145 321175738 /nfs/dbraw/zinc/17/57/38/321175738.db2.gz UXUOYBTXBIWMGV-CHWSQXEVSA-N 1 0 333.392 1.344 20 5 EDBDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285825682 444120300 /nfs/dbraw/zinc/12/03/00/444120300.db2.gz NXHMLMCWIHDNMQ-UHFFFAOYSA-N 1 0 345.359 1.527 20 5 EDBDRO C[NH+](C)[C@@H](CNc1nc2ccccn2c(=O)c1[N+](=O)[O-])c1ccco1 ZINC000301072066 444141873 /nfs/dbraw/zinc/14/18/73/444141873.db2.gz JCUBZPATXOETTH-NSHDSACASA-N 1 0 343.343 1.911 20 5 EDBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000285906648 444148992 /nfs/dbraw/zinc/14/89/92/444148992.db2.gz DEQOYHUZKVICBE-HFAKWTLXSA-N 1 0 344.375 1.292 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC000574391369 321482128 /nfs/dbraw/zinc/48/21/28/321482128.db2.gz ZNHMSYIZWUGVFN-UHFFFAOYSA-N 1 0 339.417 1.728 20 5 EDBDRO CN(c1ncc([N+](=O)[O-])cn1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000302157806 444206396 /nfs/dbraw/zinc/20/63/96/444206396.db2.gz NOVVNKMKFLVWND-UHFFFAOYSA-N 1 0 342.403 1.923 20 5 EDBDRO O=c1[nH]cnc2cc(N3CC[C@@H]([NH+]4CC=CC4)C3)c([N+](=O)[O-])cc12 ZINC000301444191 444172420 /nfs/dbraw/zinc/17/24/20/444172420.db2.gz JNGDRBRRINULHC-LLVKDONJSA-N 1 0 327.344 1.694 20 5 EDBDRO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296707672 444249625 /nfs/dbraw/zinc/24/96/25/444249625.db2.gz LPCVUXZLKDAGKB-QWHCGFSZSA-N 1 0 348.403 1.325 20 5 EDBDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305181498 444263152 /nfs/dbraw/zinc/26/31/52/444263152.db2.gz WITOMQRXEDYLMY-WBMJQRKESA-N 1 0 334.376 1.421 20 5 EDBDRO C[C@@H]1C[C@@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000317456882 444315939 /nfs/dbraw/zinc/31/59/39/444315939.db2.gz URGDAXWMEBKWLT-MNOVXSKESA-N 1 0 327.406 1.893 20 5 EDBDRO CN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000319414060 444324135 /nfs/dbraw/zinc/32/41/35/444324135.db2.gz HGIOSUGAMVFJAN-SNVBAGLBSA-N 1 0 331.369 1.497 20 5 EDBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C(F)(F)F ZINC000305774364 444280129 /nfs/dbraw/zinc/28/01/29/444280129.db2.gz MJNJOWZSURQFMJ-LLVKDONJSA-N 1 0 335.282 1.778 20 5 EDBDRO CN(CCC[N@H+](C)Cc1ccco1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290543243 444293515 /nfs/dbraw/zinc/29/35/15/444293515.db2.gz AQXQVHZCMPGRCK-UHFFFAOYSA-N 1 0 347.375 1.640 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000322383646 444339652 /nfs/dbraw/zinc/33/96/52/444339652.db2.gz HSFWMNFALOWGMF-PWSUYJOCSA-N 1 0 343.405 1.351 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000324432851 444354217 /nfs/dbraw/zinc/35/42/17/444354217.db2.gz IEBPUHIVWZUDRI-WFASDCNBSA-N 1 0 339.417 1.653 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cccc(C(F)(F)F)c2)c1 ZINC000324417505 444354254 /nfs/dbraw/zinc/35/42/54/444354254.db2.gz XMGUGJLSHIUNTI-CYBMUJFWSA-N 1 0 344.293 1.961 20 5 EDBDRO O=C(C[C@@H]1CCC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000324943236 444360365 /nfs/dbraw/zinc/36/03/65/444360365.db2.gz YEQRGSTZTATKAN-ZDUSSCGKSA-N 1 0 333.392 1.028 20 5 EDBDRO C[C@@H]1C[C@H](Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C[N@@H+]1C1CC1 ZINC000290834709 444328564 /nfs/dbraw/zinc/32/85/64/444328564.db2.gz VBWDPPJXNGATHX-KOLCDFICSA-N 1 0 340.405 1.279 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)CN1CCOCC1 ZINC000298097461 444414639 /nfs/dbraw/zinc/41/46/39/444414639.db2.gz SEJUKRPDMYAYEW-AWEZNQCLSA-N 1 0 343.811 1.373 20 5 EDBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000580432822 322050216 /nfs/dbraw/zinc/05/02/16/322050216.db2.gz FFIAOGCXQZWYJJ-INIZCTEOSA-N 1 0 337.376 1.859 20 5 EDBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1OC ZINC000581007350 322123353 /nfs/dbraw/zinc/12/33/53/322123353.db2.gz IGZXLKNINZQLTG-KOZAUXTDSA-N 1 0 340.376 1.117 20 5 EDBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000581662614 322205506 /nfs/dbraw/zinc/20/55/06/322205506.db2.gz PIWONLQIUXTURQ-DOMZBBRYSA-N 1 0 332.404 1.996 20 5 EDBDRO C[NH+](C)CCCCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000338192826 444557120 /nfs/dbraw/zinc/55/71/20/444557120.db2.gz HLLKXNQVESHXHT-UHFFFAOYSA-N 1 0 343.405 1.070 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@H+](C)C[C@H]1C ZINC000343778053 444584801 /nfs/dbraw/zinc/58/48/01/444584801.db2.gz IBQKDUDHTAWSDH-GFCCVEGCSA-N 1 0 336.392 1.568 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](OC)C[C@H]1C[NH+]1CCCC1 ZINC000340955857 444596589 /nfs/dbraw/zinc/59/65/89/444596589.db2.gz JUOCRWFJDWWFDB-KBPBESRZSA-N 1 0 337.424 1.809 20 5 EDBDRO CC[C@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000341026061 444639819 /nfs/dbraw/zinc/63/98/19/444639819.db2.gz ILMZKKKRXOFLNV-FZMZJTMJSA-N 1 0 335.360 1.596 20 5 EDBDRO Cc1sc(S(=O)(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000342518769 444728504 /nfs/dbraw/zinc/72/85/04/444728504.db2.gz WGNGTNYSYFFZRU-GZMMTYOYSA-N 1 0 333.435 1.535 20 5 EDBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(O)CCOCC1 ZINC000341421503 444820869 /nfs/dbraw/zinc/82/08/69/444820869.db2.gz IDZRJTITILDLSA-LBPRGKRZSA-N 1 0 337.376 1.443 20 5 EDBDRO COCC[N@H+](C)CCCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342933136 444950373 /nfs/dbraw/zinc/95/03/73/444950373.db2.gz XENJVSCEHAQVGO-UHFFFAOYSA-N 1 0 334.376 1.774 20 5 EDBDRO CC[NH+]1CCN(CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342921496 444942171 /nfs/dbraw/zinc/94/21/71/444942171.db2.gz PRKKKUGMZUJZPX-UHFFFAOYSA-N 1 0 345.403 1.443 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1C[C@@H](OC)C[N@H+]1C ZINC000344543354 445048048 /nfs/dbraw/zinc/04/80/48/445048048.db2.gz VXWDFMMPFIXJJZ-CHWSQXEVSA-N 1 0 337.376 1.395 20 5 EDBDRO COc1cc(OCC(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000330598358 445054729 /nfs/dbraw/zinc/05/47/29/445054729.db2.gz SVBALYVUWCYYDG-VXGBXAGGSA-N 1 0 337.376 1.533 20 5 EDBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000330766292 445132530 /nfs/dbraw/zinc/13/25/30/445132530.db2.gz UUEFNFBVKZRQNS-UHFFFAOYSA-N 1 0 341.433 1.995 20 5 EDBDRO C[N@@H+]1CCO[C@@H]2CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]21 ZINC000343281290 445176283 /nfs/dbraw/zinc/17/62/83/445176283.db2.gz NRRITHSUTGFROG-ZIAGYGMSSA-N 1 0 345.359 1.554 20 5 EDBDRO Cc1cc(C(=O)NCC(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000330817027 445152274 /nfs/dbraw/zinc/15/22/74/445152274.db2.gz RFFMTJWSQNMNPO-OLZOCXBDSA-N 1 0 348.403 1.184 20 5 EDBDRO Cn1nccc1[C@H]1[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCC(=O)N1C ZINC000343440489 445223294 /nfs/dbraw/zinc/22/32/94/445223294.db2.gz OGBYWQSVWAQPGE-XHDPSFHLSA-N 1 0 349.416 1.842 20 5 EDBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000343505328 445235355 /nfs/dbraw/zinc/23/53/55/445235355.db2.gz DKFKEKMZOHEWLZ-CHWSQXEVSA-N 1 0 335.408 1.612 20 5 EDBDRO C[C@H]1[C@@H](NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCC[N@@H+]1C ZINC000343561614 445244382 /nfs/dbraw/zinc/24/43/82/445244382.db2.gz QHIJLJZDTIKIFY-JQWIXIFHSA-N 1 0 348.359 1.102 20 5 EDBDRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000348384988 445273002 /nfs/dbraw/zinc/27/30/02/445273002.db2.gz SXXMPQBZCUEZFH-CYBMUJFWSA-N 1 0 348.359 1.477 20 5 EDBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351737096 445299249 /nfs/dbraw/zinc/29/92/49/445299249.db2.gz NVPDOIDMBLTDBF-LLVKDONJSA-N 1 0 325.344 1.101 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)c1 ZINC000351902344 445363995 /nfs/dbraw/zinc/36/39/95/445363995.db2.gz IOWIHUXADLFYJC-BXUZGUMPSA-N 1 0 341.433 1.782 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357094077 445424876 /nfs/dbraw/zinc/42/48/76/445424876.db2.gz YBEYWVKUXZCSSL-UONOGXRCSA-N 1 0 332.404 1.773 20 5 EDBDRO O=C(NC1CC1)N[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000355105075 445444318 /nfs/dbraw/zinc/44/43/18/445444318.db2.gz VKZCCCYSOFDARJ-CYBMUJFWSA-N 1 0 334.376 1.510 20 5 EDBDRO C[C@@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1[NH+](C)C ZINC000362627048 445469020 /nfs/dbraw/zinc/46/90/20/445469020.db2.gz IUXMYEVCJZCSJD-RISCZKNCSA-N 1 0 349.387 1.317 20 5 EDBDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000349812269 445686480 /nfs/dbraw/zinc/68/64/80/445686480.db2.gz OVYABNDHDSZTET-ZDUSSCGKSA-N 1 0 343.449 1.785 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)Cn2cccn2)cc1[N+](=O)[O-] ZINC000353771887 445748225 /nfs/dbraw/zinc/74/82/25/445748225.db2.gz BVQBLIVIDDQEDT-GFCCVEGCSA-N 1 0 348.359 1.521 20 5 EDBDRO CNc1c(C(=O)NCCC[N@H+](C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000356500123 445825346 /nfs/dbraw/zinc/82/53/46/445825346.db2.gz CQUMTDIWVSTLHI-UHFFFAOYSA-N 1 0 337.424 1.250 20 5 EDBDRO Cn1nnnc1N1CCC([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000363491526 445828687 /nfs/dbraw/zinc/82/86/87/445828687.db2.gz XCLNRIDTAMNDQO-GQCTYLIASA-N 1 0 343.391 1.390 20 5 EDBDRO COc1ccc(OCC[N@H+](CCO)[C@@H]2CCO[C@@H]2C)c([N+](=O)[O-])c1 ZINC000361587839 445834917 /nfs/dbraw/zinc/83/49/17/445834917.db2.gz XBRDODWIUQRPLV-TZMCWYRMSA-N 1 0 340.376 1.454 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373057345 445998421 /nfs/dbraw/zinc/99/84/21/445998421.db2.gz OCPFLZSVANOIBQ-WCQYABFASA-N 1 0 325.390 1.276 20 5 EDBDRO Cc1nn(C)c(N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000361816146 445970163 /nfs/dbraw/zinc/97/01/63/445970163.db2.gz UGDHTUHJUPVNLH-CQSZACIVSA-N 1 0 336.440 1.101 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000356734480 445976419 /nfs/dbraw/zinc/97/64/19/445976419.db2.gz VYBRNXTUPNTDNJ-UHFFFAOYSA-N 1 0 344.375 1.370 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373053102 445996243 /nfs/dbraw/zinc/99/62/43/445996243.db2.gz FBDCPZBAAMFLKQ-RISCZKNCSA-N 1 0 326.356 1.967 20 5 EDBDRO COc1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1O ZINC000582959555 325967980 /nfs/dbraw/zinc/96/79/80/325967980.db2.gz FFMGXJWZLMELSS-AWEZNQCLSA-N 1 0 348.355 1.839 20 5 EDBDRO CCc1ccc(S(=O)(=O)NCC([NH3+])(CC)CC)cc1[N+](=O)[O-] ZINC000583321514 326049439 /nfs/dbraw/zinc/04/94/39/326049439.db2.gz NZIWAZVXVMWPEG-UHFFFAOYSA-N 1 0 329.422 1.953 20 5 EDBDRO COC(=O)[C@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000373185371 446085105 /nfs/dbraw/zinc/08/51/05/446085105.db2.gz ZPCRCTHUJBREMC-HUUCEWRRSA-N 1 0 334.372 1.903 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359294796 446129327 /nfs/dbraw/zinc/12/93/27/446129327.db2.gz ATGIKECWCHSDRV-TXEJJXNPSA-N 1 0 332.360 1.044 20 5 EDBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000362026925 446164170 /nfs/dbraw/zinc/16/41/70/446164170.db2.gz NOYVVDQSDIROJV-OSAQELSMSA-N 1 0 337.376 1.705 20 5 EDBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000354397462 446175616 /nfs/dbraw/zinc/17/56/16/446175616.db2.gz OFFKQSVPKZDOKS-OLZOCXBDSA-N 1 0 336.392 1.088 20 5 EDBDRO C[C@@H]1[C@@H](NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000351578504 446175836 /nfs/dbraw/zinc/17/58/36/446175836.db2.gz CCYIBDHLSLYKMR-RNCFNFMXSA-N 1 0 338.339 1.271 20 5 EDBDRO COC(=O)[C@H]1C[C@@H](OC)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000370351228 446242358 /nfs/dbraw/zinc/24/23/58/446242358.db2.gz ZYVHDXWFWQFYLP-GXTWGEPZSA-N 1 0 338.360 1.626 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCC2(C)C[NH+](Cc3ccccc3)C2)n1 ZINC000373588455 446272776 /nfs/dbraw/zinc/27/27/76/446272776.db2.gz MEVUCSXHRSZCPT-UHFFFAOYSA-N 1 0 343.387 1.580 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000362288669 446307370 /nfs/dbraw/zinc/30/73/70/446307370.db2.gz QMPOEDLSPCDXAE-IAQYHMDHSA-N 1 0 348.359 1.978 20 5 EDBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000365726844 446317320 /nfs/dbraw/zinc/31/73/20/446317320.db2.gz PHANYKUQLSMZGW-TWMKSMIVSA-N 1 0 329.400 1.632 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000366865835 446388577 /nfs/dbraw/zinc/38/85/77/446388577.db2.gz DMKUNMOSFZVFHG-UKRRQHHQSA-N 1 0 346.387 1.442 20 5 EDBDRO COC[C@@]1(CNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CCC[NH2+]1 ZINC000420255877 446435523 /nfs/dbraw/zinc/43/55/23/446435523.db2.gz TZAYQBRSIJFZAP-INIZCTEOSA-N 1 0 337.376 1.870 20 5 EDBDRO C[C@@]1(CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC[NH2+]C1 ZINC000418081773 446435457 /nfs/dbraw/zinc/43/54/57/446435457.db2.gz HGKUQQABAFQXCO-MRXNPFEDSA-N 1 0 346.391 1.660 20 5 EDBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420260360 446436902 /nfs/dbraw/zinc/43/69/02/446436902.db2.gz NPKRCFFKUOFTCH-HZPDHXFCSA-N 1 0 346.431 1.473 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000420297301 446460176 /nfs/dbraw/zinc/46/01/76/446460176.db2.gz YMJWWMPZHWNBGN-ZDUSSCGKSA-N 1 0 336.392 1.616 20 5 EDBDRO CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370830731 446466038 /nfs/dbraw/zinc/46/60/38/446466038.db2.gz OVLSPTOCLMZRFD-ZDUSSCGKSA-N 1 0 336.392 1.428 20 5 EDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370830980 446466552 /nfs/dbraw/zinc/46/65/52/446466552.db2.gz QVZBDLSCVWHAQG-QGZVFWFLSA-N 1 0 346.431 1.835 20 5 EDBDRO COC[C@@](C)(CCO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411335315 446498491 /nfs/dbraw/zinc/49/84/91/446498491.db2.gz QESYGGURFZMOCE-OAHLLOKOSA-N 1 0 325.365 1.301 20 5 EDBDRO C[C@@]1(F)C[NH2+]CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000420343951 446516867 /nfs/dbraw/zinc/51/68/67/446516867.db2.gz XHUUTMIHVNSTLB-OAHLLOKOSA-N 1 0 335.339 1.778 20 5 EDBDRO Cc1cc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000375092144 446574371 /nfs/dbraw/zinc/57/43/71/446574371.db2.gz XIFOABIEKCAYMP-CYBMUJFWSA-N 1 0 348.403 1.952 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N(C)[C@H]2CCC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000423605057 446599047 /nfs/dbraw/zinc/59/90/47/446599047.db2.gz VNPUSLMFYVKXTR-AWEZNQCLSA-N 1 0 349.387 1.986 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000420462406 446640099 /nfs/dbraw/zinc/64/00/99/446640099.db2.gz HMFUEBREISJDEI-AAEUAGOBSA-N 1 0 341.433 1.953 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)ccc1[N+](=O)[O-] ZINC000376677970 446645907 /nfs/dbraw/zinc/64/59/07/446645907.db2.gz FDKGFNCUGSPFNN-AAEUAGOBSA-N 1 0 325.390 1.276 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000420477555 446650116 /nfs/dbraw/zinc/65/01/16/446650116.db2.gz ZXFCIWSCVMAGTA-NWDGAFQWSA-N 1 0 327.406 1.699 20 5 EDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000423672461 446634787 /nfs/dbraw/zinc/63/47/87/446634787.db2.gz OEVNVNQTFPUFBF-XVKPBYJWSA-N 1 0 328.166 1.919 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1SC ZINC000423968955 446800883 /nfs/dbraw/zinc/80/08/83/446800883.db2.gz ZDSKGJBPIKKLOZ-WPRPVWTQSA-N 1 0 325.390 1.745 20 5 EDBDRO [NH3+]C1(CNC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000418924580 446801539 /nfs/dbraw/zinc/80/15/39/446801539.db2.gz PNLQAVWPEWCTCW-UHFFFAOYSA-N 1 0 348.403 1.031 20 5 EDBDRO [NH3+]CCC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000423974821 446803489 /nfs/dbraw/zinc/80/34/89/446803489.db2.gz SOSNRNRJQBPSPY-OAHLLOKOSA-N 1 0 344.371 1.353 20 5 EDBDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000377039004 446878237 /nfs/dbraw/zinc/87/82/37/446878237.db2.gz CWUXJLXDVQTRKF-HCWSGVFWSA-N 1 0 335.326 1.573 20 5 EDBDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000371481070 446884053 /nfs/dbraw/zinc/88/40/53/446884053.db2.gz SVZFPBRRIAJHHD-PLQHRBFRSA-N 1 0 346.387 1.966 20 5 EDBDRO C[C@@H]1C[C@H]([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000420945212 446918770 /nfs/dbraw/zinc/91/87/70/446918770.db2.gz YPYKALDKAFTXEE-CZUORRHYSA-N 1 0 333.388 1.920 20 5 EDBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC000420975481 446947811 /nfs/dbraw/zinc/94/78/11/446947811.db2.gz RCEGHPXFTPKGCA-UHFFFAOYSA-N 1 0 341.433 1.995 20 5 EDBDRO C[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000419150184 446965392 /nfs/dbraw/zinc/96/53/92/446965392.db2.gz MAAKOWZNOJUKEI-OBJOEFQTSA-N 1 0 348.403 1.406 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000377173167 446970210 /nfs/dbraw/zinc/97/02/10/446970210.db2.gz CRKMUVHYJYFABD-KGLIPLIRSA-N 1 0 334.376 1.888 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000419163192 446979793 /nfs/dbraw/zinc/97/97/93/446979793.db2.gz LCMXCKMCTQCQBT-CQDKDKBSSA-N 1 0 348.403 1.276 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](O)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000421011521 446986427 /nfs/dbraw/zinc/98/64/27/446986427.db2.gz JCZVRFZIYDKSPW-NWDGAFQWSA-N 1 0 337.376 1.777 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N1CCC([NH2+]C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000419174825 446989846 /nfs/dbraw/zinc/98/98/46/446989846.db2.gz WSDBJSSSQWSDTA-HNNXBMFYSA-N 1 0 348.403 1.373 20 5 EDBDRO [NH3+]C1(CNC(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000419344684 447111192 /nfs/dbraw/zinc/11/11/92/447111192.db2.gz FWGWRXCCEHZJPC-UHFFFAOYSA-N 1 0 348.403 1.031 20 5 EDBDRO NC(=O)C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCOCC1 ZINC000444682118 447120990 /nfs/dbraw/zinc/12/09/90/447120990.db2.gz YUCHHCIOXFURTM-CYBMUJFWSA-N 1 0 347.375 1.231 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421309167 447122635 /nfs/dbraw/zinc/12/26/35/447122635.db2.gz RAMRQXKWTBWKRU-ZDUSSCGKSA-N 1 0 348.403 1.703 20 5 EDBDRO CON1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000421401146 447150206 /nfs/dbraw/zinc/15/02/06/447150206.db2.gz SXOKIABMNHPCHW-LBPRGKRZSA-N 1 0 336.392 1.927 20 5 EDBDRO CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369016851 447265094 /nfs/dbraw/zinc/26/50/94/447265094.db2.gz LNOMQPDGJZBTBB-OAHLLOKOSA-N 1 0 343.387 1.988 20 5 EDBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3CCC[N@H+]3CCCO)c21 ZINC000450598787 447534080 /nfs/dbraw/zinc/53/40/80/447534080.db2.gz RELDMIHNURVZBP-LBPRGKRZSA-N 1 0 331.376 1.797 20 5 EDBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000416305850 447565189 /nfs/dbraw/zinc/56/51/89/447565189.db2.gz JGOCBGHGXRFZHM-UONOGXRCSA-N 1 0 335.404 1.441 20 5 EDBDRO CC[N@H+](CCNC(=O)c1nn(C)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000427267078 447572328 /nfs/dbraw/zinc/57/23/28/447572328.db2.gz XDFRZXIFSNPVFU-UHFFFAOYSA-N 1 0 337.302 1.332 20 5 EDBDRO NS(=O)(=O)c1cc(NCC[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000420188659 447662198 /nfs/dbraw/zinc/66/21/98/447662198.db2.gz FSFDCNMMLFRJGT-SNVBAGLBSA-N 1 0 328.394 1.044 20 5 EDBDRO C[C@H]1CN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000420194940 447664829 /nfs/dbraw/zinc/66/48/29/447664829.db2.gz VPHGJLCJMNOGHW-AAEUAGOBSA-N 1 0 343.387 1.733 20 5 EDBDRO C[NH2+]CC1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000420198956 447666769 /nfs/dbraw/zinc/66/67/69/447666769.db2.gz WFZVHQDLTHWSAS-UHFFFAOYSA-N 1 0 348.447 1.863 20 5 EDBDRO C[NH2+]CCC1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000420223593 447677654 /nfs/dbraw/zinc/67/76/54/447677654.db2.gz AZXUULBGDBCCBX-UHFFFAOYSA-N 1 0 342.421 1.068 20 5 EDBDRO CCN(CC)S(=O)(=O)c1ccc(N[C@@H](C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000420229755 447679286 /nfs/dbraw/zinc/67/92/86/447679286.db2.gz HKCFBKJCKYPWJZ-NSHDSACASA-N 1 0 344.437 1.775 20 5 EDBDRO CO[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000451486766 447735284 /nfs/dbraw/zinc/73/52/84/447735284.db2.gz DWWDWHRQENSGIK-KGLIPLIRSA-N 1 0 342.417 1.772 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000431024504 447789826 /nfs/dbraw/zinc/78/98/26/447789826.db2.gz PDKRWBPBLHUIJS-UHFFFAOYSA-N 1 0 339.417 1.667 20 5 EDBDRO CCO[C@@H]1COC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451939057 447792719 /nfs/dbraw/zinc/79/27/19/447792719.db2.gz PHTJSDJZGVPPCJ-HUUCEWRRSA-N 1 0 337.376 1.625 20 5 EDBDRO CSc1ccc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000431394451 447801360 /nfs/dbraw/zinc/80/13/60/447801360.db2.gz YPOXDOMIYDWDQF-HNNXBMFYSA-N 1 0 341.433 1.749 20 5 EDBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000575989165 447945492 /nfs/dbraw/zinc/94/54/92/447945492.db2.gz SCPPOECBJMUUGO-CXAGYDPISA-N 1 0 332.404 1.997 20 5 EDBDRO C[NH+](C)CC1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000525193096 447976692 /nfs/dbraw/zinc/97/66/92/447976692.db2.gz YGZJMOWXZZWMMM-UHFFFAOYSA-N 1 0 342.421 1.020 20 5 EDBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000532015127 448182823 /nfs/dbraw/zinc/18/28/23/448182823.db2.gz UAYHNPPWZRKPPL-LLVKDONJSA-N 1 0 342.421 1.384 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000591028756 448239725 /nfs/dbraw/zinc/23/97/25/448239725.db2.gz DWZKTWWRMZTIPJ-IUODEOHRSA-N 1 0 346.387 1.313 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000582468150 448244401 /nfs/dbraw/zinc/24/44/01/448244401.db2.gz OGTJHIIPZMAARN-YPMHNXCESA-N 1 0 325.390 1.228 20 5 EDBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591146488 448272780 /nfs/dbraw/zinc/27/27/80/448272780.db2.gz BTPAQJWFXHDMNC-CYBMUJFWSA-N 1 0 337.399 1.735 20 5 EDBDRO CNc1nccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000563638136 448309468 /nfs/dbraw/zinc/30/94/68/448309468.db2.gz SPQJJLFCIMBUIR-UHFFFAOYSA-N 1 0 347.419 1.980 20 5 EDBDRO COC(=O)c1cc(C)nc(N2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000515343172 448293826 /nfs/dbraw/zinc/29/38/26/448293826.db2.gz CLBVFZAKSLTTGK-UHFFFAOYSA-N 1 0 336.392 1.863 20 5 EDBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000591460932 448371663 /nfs/dbraw/zinc/37/16/63/448371663.db2.gz ZYNLFRBOSVUFEX-GFCCVEGCSA-N 1 0 334.376 1.359 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@H]4CC[NH2+][C@@H]4C3)n2)cc1 ZINC000591448199 448367429 /nfs/dbraw/zinc/36/74/29/448367429.db2.gz HFHAABNBVDXMJI-BXUZGUMPSA-N 1 0 329.360 1.829 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccccc2CO)c1 ZINC000516571057 448441128 /nfs/dbraw/zinc/44/11/28/448441128.db2.gz LZWDDJXBTFIINO-INIZCTEOSA-N 1 0 332.356 1.617 20 5 EDBDRO CNc1nccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000516582007 448444214 /nfs/dbraw/zinc/44/42/14/448444214.db2.gz LFKVRRRFJVWNEL-ZDUSSCGKSA-N 1 0 347.419 2.122 20 5 EDBDRO COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)CCC[NH3+])cc1OC ZINC000591679791 448449210 /nfs/dbraw/zinc/44/92/10/448449210.db2.gz XQTIEEIQTNPTPL-UHFFFAOYSA-N 1 0 341.364 1.049 20 5 EDBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000566412440 448464724 /nfs/dbraw/zinc/46/47/24/448464724.db2.gz WCHWFJHEWKESEK-WCQYABFASA-N 1 0 329.360 1.732 20 5 EDBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCC1CC[NH2+]CC1 ZINC000584350434 448493748 /nfs/dbraw/zinc/49/37/48/448493748.db2.gz JOXKVPBEWWZRIS-UHFFFAOYSA-N 1 0 327.406 1.056 20 5 EDBDRO COCC[C@]1([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCOC1 ZINC000516906767 448492362 /nfs/dbraw/zinc/49/23/62/448492362.db2.gz XWEOEPGREDEHFU-INIZCTEOSA-N 1 0 337.376 1.627 20 5 EDBDRO Cc1c(CC(=O)NC[C@]2(O)C[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC000516986769 448517798 /nfs/dbraw/zinc/51/77/98/448517798.db2.gz VVTJCRNKXOCTNX-KRWDZBQOSA-N 1 0 333.388 1.019 20 5 EDBDRO CC[C@H]1CN(CCNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000566653598 448528311 /nfs/dbraw/zinc/52/83/11/448528311.db2.gz XNRDDKKDOZNACY-CJNGLKHVSA-N 1 0 335.404 1.925 20 5 EDBDRO C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCC2CC[NH2+]CC2)C1=O ZINC000517732159 448609289 /nfs/dbraw/zinc/60/92/89/448609289.db2.gz KPVGNUZSRUAECL-KRWDZBQOSA-N 1 0 346.387 1.752 20 5 EDBDRO CC[NH+]1CCN(CCCNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000567104312 448613761 /nfs/dbraw/zinc/61/37/61/448613761.db2.gz SBEZMTWETUWKDX-HNNXBMFYSA-N 1 0 348.447 1.842 20 5 EDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000517541898 448590116 /nfs/dbraw/zinc/59/01/16/448590116.db2.gz NAYLEMPBEKGOFL-CHWSQXEVSA-N 1 0 336.392 1.191 20 5 EDBDRO CC(C)Oc1nc(N[C@@H]2CCC[N@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000584790896 448635305 /nfs/dbraw/zinc/63/53/05/448635305.db2.gz XAERCXRBMVCKSW-CYBMUJFWSA-N 1 0 338.408 2.036 20 5 EDBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCCCC1 ZINC000578985462 448686095 /nfs/dbraw/zinc/68/60/95/448686095.db2.gz DFWYKNWHPBYDQI-UHFFFAOYSA-N 1 0 335.360 1.757 20 5 EDBDRO C[C@]1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCC[C@H]1O ZINC000573802736 448717553 /nfs/dbraw/zinc/71/75/53/448717553.db2.gz VJDXZYJBCDWGCF-IAOVAPTHSA-N 1 0 338.404 1.865 20 5 EDBDRO CC(C)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1(CO)CC=CC1 ZINC000592177127 448723872 /nfs/dbraw/zinc/72/38/72/448723872.db2.gz DODGLBYVOIMEKV-GJZGRUSLSA-N 1 0 338.408 1.095 20 5 EDBDRO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000573834974 448725926 /nfs/dbraw/zinc/72/59/26/448725926.db2.gz JMPFWNWRJUHRKA-CZUORRHYSA-N 1 0 346.387 1.809 20 5 EDBDRO COc1cc(C(=O)NCCC[NH2+]C(C)C)c([N+](=O)[O-])cc1OC ZINC000579227846 448745803 /nfs/dbraw/zinc/74/58/03/448745803.db2.gz IZQHOJYMIMDEDX-UHFFFAOYSA-N 1 0 325.365 1.730 20 5 EDBDRO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3ccc([N+](=O)[O-])cn3)n1)OC2 ZINC000579289212 448759286 /nfs/dbraw/zinc/75/92/86/448759286.db2.gz GDTKYFRHUNAKBY-WFASDCNBSA-N 1 0 331.332 1.966 20 5 EDBDRO CCCN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CC[N@H+](C)C1 ZINC000592300255 448779266 /nfs/dbraw/zinc/77/92/66/448779266.db2.gz IGPXJGICPIAFQI-CQSZACIVSA-N 1 0 348.403 1.784 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCO1 ZINC000592306814 448784270 /nfs/dbraw/zinc/78/42/70/448784270.db2.gz FGAAVVOGNCDLEU-QMTHXVAHSA-N 1 0 330.344 1.331 20 5 EDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592310034 448786148 /nfs/dbraw/zinc/78/61/48/448786148.db2.gz VGODQRHTAPFRMP-MFKMUULPSA-N 1 0 339.417 1.895 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592382142 448814302 /nfs/dbraw/zinc/81/43/02/448814302.db2.gz JSOVGFLBNQELTD-TZMCWYRMSA-N 1 0 327.406 1.484 20 5 EDBDRO C[C@@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000592341106 448798605 /nfs/dbraw/zinc/79/86/05/448798605.db2.gz QFHGYPSJCWHSML-DGCLKSJQSA-N 1 0 344.375 1.232 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000592386108 448817723 /nfs/dbraw/zinc/81/77/23/448817723.db2.gz HHMHXAGWUKCGRE-AWEZNQCLSA-N 1 0 343.405 1.271 20 5 EDBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000586986153 448832999 /nfs/dbraw/zinc/83/29/99/448832999.db2.gz JRQCTJUFDURMMK-LLVKDONJSA-N 1 0 349.416 1.901 20 5 EDBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000520606163 448915554 /nfs/dbraw/zinc/91/55/54/448915554.db2.gz KWCUPWBOYAXGSY-JHJVBQTASA-N 1 0 347.419 2.049 20 5 EDBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000520606165 448916759 /nfs/dbraw/zinc/91/67/59/448916759.db2.gz KWCUPWBOYAXGSY-XQQFMLRXSA-N 1 0 347.419 2.049 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](CO)CC2CCCC2)c1 ZINC000574637453 448921438 /nfs/dbraw/zinc/92/14/38/448921438.db2.gz CIAFIURYWBYJPS-GOEBONIOSA-N 1 0 338.404 1.865 20 5 EDBDRO CC[NH2+][C@H](C)CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592547127 448890536 /nfs/dbraw/zinc/89/05/36/448890536.db2.gz PHVDXKUYRONOHM-CYBMUJFWSA-N 1 0 334.420 1.925 20 5 EDBDRO CNc1nccc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000581833593 448986105 /nfs/dbraw/zinc/98/61/05/448986105.db2.gz QNCQHHVLKYKHNY-UHFFFAOYSA-N 1 0 349.435 2.224 20 5 EDBDRO CCN1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000593567387 449076315 /nfs/dbraw/zinc/07/63/15/449076315.db2.gz CJLUSJHJWCJKGP-WDEREUQCSA-N 1 0 328.394 1.093 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)cc1 ZINC000575113446 449038079 /nfs/dbraw/zinc/03/80/79/449038079.db2.gz ZDLCTTOTGZKAEQ-RBSFLKMASA-N 1 0 340.401 1.526 20 5 EDBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1ccc([N+](=O)[O-])s1)CCO2 ZINC000592898968 449042225 /nfs/dbraw/zinc/04/22/25/449042225.db2.gz PIYJVSKTMAEIJN-UHFFFAOYSA-N 1 0 325.390 1.593 20 5 EDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000589930184 449084311 /nfs/dbraw/zinc/08/43/11/449084311.db2.gz UBCRTMUSUQNXQY-CABZTGNLSA-N 1 0 345.808 1.573 20 5 EDBDRO Nc1nccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000548714517 449087046 /nfs/dbraw/zinc/08/70/46/449087046.db2.gz OPDPSJGREOVLHX-SMDDNHRTSA-N 1 0 345.403 1.661 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@H]3C[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000590012008 449096446 /nfs/dbraw/zinc/09/64/46/449096446.db2.gz NXFCVTLMVOLHNF-NHYWBVRUSA-N 1 0 334.376 1.178 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000599906744 449105999 /nfs/dbraw/zinc/10/59/99/449105999.db2.gz HWZLEUHAHSKVHK-CQSZACIVSA-N 1 0 336.392 1.743 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000595760942 449152845 /nfs/dbraw/zinc/15/28/45/449152845.db2.gz VPOVBEFUKCZSSG-PXAZEXFGSA-N 1 0 349.387 1.900 20 5 EDBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000603959619 449165743 /nfs/dbraw/zinc/16/57/43/449165743.db2.gz IVEJTMJYFFWLSH-UHFFFAOYSA-N 1 0 333.348 1.500 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)[C@H]2C1 ZINC000590446592 449166750 /nfs/dbraw/zinc/16/67/50/449166750.db2.gz UYKMYEHMMUMJSZ-WBMJQRKESA-N 1 0 341.371 1.557 20 5 EDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CCCC[N@H+]1CCO ZINC000593732624 449167488 /nfs/dbraw/zinc/16/74/88/449167488.db2.gz PLYLXIIBSRFWLJ-AWEZNQCLSA-N 1 0 339.367 1.239 20 5 EDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@@]1(O)CCOC1 ZINC000593671782 449142226 /nfs/dbraw/zinc/14/22/26/449142226.db2.gz TZTSMRRNHNLYNB-BLLLJJGKSA-N 1 0 337.376 1.443 20 5 EDBDRO C[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H](C)[C@H]1O ZINC000595744207 449142955 /nfs/dbraw/zinc/14/29/55/449142955.db2.gz VVBUHSHCTAZUIP-KOZAUXTDSA-N 1 0 333.388 1.649 20 5 EDBDRO Cc1c(CC(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000590399843 449147315 /nfs/dbraw/zinc/14/73/15/449147315.db2.gz PGHOWBNXHDTNEE-IRXDYDNUSA-N 1 0 347.415 1.767 20 5 EDBDRO Cc1sc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000590400706 449148684 /nfs/dbraw/zinc/14/86/84/449148684.db2.gz YGFIJSAYLOUVND-WCQYABFASA-N 1 0 339.417 1.900 20 5 EDBDRO Cc1cccc(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000590400621 449148725 /nfs/dbraw/zinc/14/87/25/449148725.db2.gz WXNYBVNHGMTZSI-UHFFFAOYSA-N 1 0 332.404 1.223 20 5 EDBDRO Cc1sc(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000590400577 449148917 /nfs/dbraw/zinc/14/89/17/449148917.db2.gz YDFOICHEQHNCJB-UHFFFAOYSA-N 1 0 338.433 1.284 20 5 EDBDRO COc1cc(C(=O)NCC[C@H](C)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000597995376 449180338 /nfs/dbraw/zinc/18/03/38/449180338.db2.gz FOORQSYNVLFNTJ-JTQLQIEISA-N 1 0 325.365 1.682 20 5 EDBDRO O=C1CCCN1C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595831882 449196040 /nfs/dbraw/zinc/19/60/40/449196040.db2.gz MJPTZYSJXUUCGB-CQSZACIVSA-N 1 0 333.388 1.918 20 5 EDBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595834909 449197788 /nfs/dbraw/zinc/19/77/88/449197788.db2.gz SXOZZZPONKGQOV-STQMWFEESA-N 1 0 349.387 1.900 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000590590192 449205223 /nfs/dbraw/zinc/20/52/23/449205223.db2.gz VKGVXLSMMGBDEG-YPMHNXCESA-N 1 0 327.406 1.616 20 5 EDBDRO C[N@@H+]1CCC[C@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000611201648 449213131 /nfs/dbraw/zinc/21/31/31/449213131.db2.gz MOBDLZFZPAPYSD-LBPRGKRZSA-N 1 0 329.360 1.605 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000590566214 449193700 /nfs/dbraw/zinc/19/37/00/449193700.db2.gz VOOCOORTUDGNTL-JKSUJKDBSA-N 1 0 333.388 1.838 20 5 EDBDRO O=C1[C@H]([N@@H+]2CC[C@@H]3COC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595829853 449193792 /nfs/dbraw/zinc/19/37/92/449193792.db2.gz IVULKKUWHVCMLJ-DVOMOZLQSA-N 1 0 331.372 1.668 20 5 EDBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000593784254 449195544 /nfs/dbraw/zinc/19/55/44/449195544.db2.gz LABWKDQWFBRMHM-UHFFFAOYSA-N 1 0 348.403 1.141 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000611242529 449234485 /nfs/dbraw/zinc/23/44/85/449234485.db2.gz OJBZGBXGOLAIHB-OAHLLOKOSA-N 1 0 348.403 1.522 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+]C2(CO)CCCCC2)c([N+](=O)[O-])c1 ZINC000611462863 449297603 /nfs/dbraw/zinc/29/76/03/449297603.db2.gz GRWRRECLTMWMRF-UHFFFAOYSA-N 1 0 337.376 1.827 20 5 EDBDRO CC(C)C[N@H+](C)CCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000593479575 449302430 /nfs/dbraw/zinc/30/24/30/449302430.db2.gz GMCKULVEVBVJEO-UHFFFAOYSA-N 1 0 344.437 1.632 20 5 EDBDRO C[C@@H]1C[NH+](CCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@@H](C)O1 ZINC000611525402 449321593 /nfs/dbraw/zinc/32/15/93/449321593.db2.gz UCHITAUWVOCJFS-VXGBXAGGSA-N 1 0 338.408 1.581 20 5 EDBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000595951807 449277576 /nfs/dbraw/zinc/27/75/76/449277576.db2.gz SAVNANJYKOPMQW-GFCCVEGCSA-N 1 0 331.376 1.884 20 5 EDBDRO Cc1c(C[NH3+])c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)nn1C ZINC000595962359 449284262 /nfs/dbraw/zinc/28/42/62/449284262.db2.gz QBLBRIGTFYPJCS-UHFFFAOYSA-N 1 0 344.375 1.922 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000598342757 449356616 /nfs/dbraw/zinc/35/66/16/449356616.db2.gz PXAHGCBOJLBRRF-ZDUSSCGKSA-N 1 0 343.387 1.995 20 5 EDBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000598341833 449357310 /nfs/dbraw/zinc/35/73/10/449357310.db2.gz GQFKVAAIWLVPIW-AWEZNQCLSA-N 1 0 343.387 1.995 20 5 EDBDRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593531236 449328728 /nfs/dbraw/zinc/32/87/28/449328728.db2.gz PNVGFQLJTBBGTG-LLVKDONJSA-N 1 0 328.394 1.143 20 5 EDBDRO CC(C)(C[NH+]1CCOCC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000602083613 449331851 /nfs/dbraw/zinc/33/18/51/449331851.db2.gz NVLWFOCYAJJYDH-UHFFFAOYSA-N 1 0 335.404 1.612 20 5 EDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000598453529 449403239 /nfs/dbraw/zinc/40/32/39/449403239.db2.gz RKVIVVLVWSULNE-KRWDZBQOSA-N 1 0 347.415 1.585 20 5 EDBDRO CN(CCC[NH+]1CCN(C)CC1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611704725 449387767 /nfs/dbraw/zinc/38/77/67/449387767.db2.gz DAPSRCPKSJGOQP-UHFFFAOYSA-N 1 0 344.419 1.612 20 5 EDBDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000598536811 449452733 /nfs/dbraw/zinc/45/27/33/449452733.db2.gz XZRFHAYFUFBRLL-GFCCVEGCSA-N 1 0 337.376 1.903 20 5 EDBDRO CC(C)[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598571942 449470447 /nfs/dbraw/zinc/47/04/47/449470447.db2.gz CNJIPXTYIWCADR-DOMZBBRYSA-N 1 0 348.403 1.170 20 5 EDBDRO CC(C)[NH2+]C1(CO)CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000596251698 449439662 /nfs/dbraw/zinc/43/96/62/449439662.db2.gz WUBPONRBBGYFLN-UHFFFAOYSA-N 1 0 333.392 1.800 20 5 EDBDRO C[C@@H](NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000598662071 449525150 /nfs/dbraw/zinc/52/51/50/449525150.db2.gz ODTZZZXLVOULBR-NEPJUHHUSA-N 1 0 349.391 1.221 20 5 EDBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1ccc(-n3ccnc3)c([N+](=O)[O-])c1)C2 ZINC000598667840 449529808 /nfs/dbraw/zinc/52/98/08/449529808.db2.gz MZOXDEDNOHZGRD-DYVFJYSZSA-N 1 0 341.371 1.734 20 5 EDBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1cc(=O)[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC000598668236 449529906 /nfs/dbraw/zinc/52/99/06/449529906.db2.gz QXZVLBPGUWAUFV-BMLIUANNSA-N 1 0 342.355 1.802 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCN2C2CCCCC2)c1 ZINC000600747761 449531733 /nfs/dbraw/zinc/53/17/33/449531733.db2.gz BFNKAFOBGCNUJV-GOEBONIOSA-N 1 0 337.424 1.149 20 5 EDBDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000598681540 449539706 /nfs/dbraw/zinc/53/97/06/449539706.db2.gz GRLAXNIQQMLCER-MLGOLLRUSA-N 1 0 329.360 1.958 20 5 EDBDRO [NH3+][C@]12CCC[C@H]1CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000598682070 449539759 /nfs/dbraw/zinc/53/97/59/449539759.db2.gz LHQSHIPYKBBCPZ-BONVTDFDSA-N 1 0 338.795 2.000 20 5 EDBDRO [NH3+][C@]12CCC[C@@H]1CN([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000598681525 449539894 /nfs/dbraw/zinc/53/98/94/449539894.db2.gz GOVQXXXLEDALOW-PVUWLOKVSA-N 1 0 330.388 1.513 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000594476673 449541976 /nfs/dbraw/zinc/54/19/76/449541976.db2.gz WNSJOVLNXSNDRF-BETUJISGSA-N 1 0 341.433 1.830 20 5 EDBDRO C[C@@H](CO)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000614185962 449494986 /nfs/dbraw/zinc/49/49/86/449494986.db2.gz YHDPUODKPGOAEF-GFCCVEGCSA-N 1 0 333.392 1.612 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCO1 ZINC000602431904 449581772 /nfs/dbraw/zinc/58/17/72/449581772.db2.gz GGRICEMQRVWEHH-WFASDCNBSA-N 1 0 333.388 1.591 20 5 EDBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000600809417 449556572 /nfs/dbraw/zinc/55/65/72/449556572.db2.gz YFVALOIJZNTZPZ-LBPRGKRZSA-N 1 0 347.293 1.410 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598714717 449558672 /nfs/dbraw/zinc/55/86/72/449558672.db2.gz JKDJFBUJHYIPSU-JOYOIKCWSA-N 1 0 327.406 1.488 20 5 EDBDRO Cn1ccnc1[C@@H](NCC12CC(C1)C[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000596654398 449588164 /nfs/dbraw/zinc/58/81/64/449588164.db2.gz NXHPBOURLSOHQK-VXKCQOAXSA-N 1 0 327.388 1.759 20 5 EDBDRO O=C(CCC1C[NH2+]C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602460335 449606486 /nfs/dbraw/zinc/60/64/86/449606486.db2.gz ZTCVFXFVIJAWKA-UHFFFAOYSA-N 1 0 333.388 1.964 20 5 EDBDRO C[NH2+]CCOCCN(C)c1c2ccc(OC)cc2ncc1[N+](=O)[O-] ZINC000600952068 449612362 /nfs/dbraw/zinc/61/23/62/449612362.db2.gz QRRLZJVCOUZUCY-UHFFFAOYSA-N 1 0 334.376 1.824 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000594749366 449665716 /nfs/dbraw/zinc/66/57/16/449665716.db2.gz SNVCILCEGVZFLW-RYUDHWBXSA-N 1 0 342.421 1.389 20 5 EDBDRO COCc1nc2n(n1)C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000602567459 449678338 /nfs/dbraw/zinc/67/83/38/449678338.db2.gz DRQNVTNJMQIGIN-CYBMUJFWSA-N 1 0 331.376 1.480 20 5 EDBDRO C[C@H](CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000598904394 449639928 /nfs/dbraw/zinc/63/99/28/449639928.db2.gz WXYUBMQUKBUBLO-LLVKDONJSA-N 1 0 337.380 1.030 20 5 EDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c21 ZINC000612437890 449704125 /nfs/dbraw/zinc/70/41/25/449704125.db2.gz QBRGIHPVUUQPMK-ZDUSSCGKSA-N 1 0 343.387 1.839 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)cc1C ZINC000594816737 449725296 /nfs/dbraw/zinc/72/52/96/449725296.db2.gz KFONHXRRBXYHKE-GFCCVEGCSA-N 1 0 329.422 1.830 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](C)C1 ZINC000602647379 449726849 /nfs/dbraw/zinc/72/68/49/449726849.db2.gz HVYFJIGOFFJMAH-NEPJUHHUSA-N 1 0 334.376 1.623 20 5 EDBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602590853 449690668 /nfs/dbraw/zinc/69/06/68/449690668.db2.gz JKAWVENEQOBXBA-JLLWLGSASA-N 1 0 339.779 1.978 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599108393 449740891 /nfs/dbraw/zinc/74/08/91/449740891.db2.gz RJNJYDKORURJQH-LBPRGKRZSA-N 1 0 325.390 1.466 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000599112407 449743676 /nfs/dbraw/zinc/74/36/76/449743676.db2.gz ZQRXLVRYSYENDU-GASCZTMLSA-N 1 0 339.417 1.523 20 5 EDBDRO C[N@@H+]1CCCC[C@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000599140610 449760151 /nfs/dbraw/zinc/76/01/51/449760151.db2.gz WRURKEJBDJMDOT-LLVKDONJSA-N 1 0 342.421 1.386 20 5 EDBDRO COC1CC[NH+](CCNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000617746241 449812884 /nfs/dbraw/zinc/81/28/84/449812884.db2.gz IAENETPSEFNGIK-CYBMUJFWSA-N 1 0 335.404 1.925 20 5 EDBDRO [NH3+][C@@H]1CCCCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000601324943 449833461 /nfs/dbraw/zinc/83/34/61/449833461.db2.gz RHIMNTNEJDHTMF-CZUORRHYSA-N 1 0 332.404 1.903 20 5 EDBDRO O=C(CCN1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000601333121 449841541 /nfs/dbraw/zinc/84/15/41/449841541.db2.gz AKTIZQZQEQAKII-XJKSGUPXSA-N 1 0 332.404 1.997 20 5 EDBDRO CC(C)c1ccc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594878343 449791259 /nfs/dbraw/zinc/79/12/59/449791259.db2.gz ZUPZNLFVUWINMI-JSGCOSHPSA-N 1 0 346.387 1.102 20 5 EDBDRO CCN(CC)C(=O)C1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602767453 449792658 /nfs/dbraw/zinc/79/26/58/449792658.db2.gz WHPPGVNCDXSGDS-UHFFFAOYSA-N 1 0 337.424 1.680 20 5 EDBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601351473 449864895 /nfs/dbraw/zinc/86/48/95/449864895.db2.gz IEWYZGOINZETRU-JQWIXIFHSA-N 1 0 343.380 1.497 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601352415 449866010 /nfs/dbraw/zinc/86/60/10/449866010.db2.gz UPQGRWGMXBHAIC-JSGCOSHPSA-N 1 0 339.417 1.666 20 5 EDBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)cncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602951916 449954083 /nfs/dbraw/zinc/95/40/83/449954083.db2.gz LZUSNBWZBOCJQP-QWHCGFSZSA-N 1 0 335.408 1.914 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000595256853 449979762 /nfs/dbraw/zinc/97/97/62/449979762.db2.gz VMDZVIFIPONNGT-HUUCEWRRSA-N 1 0 346.362 1.948 20 5 EDBDRO [NH3+][C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[C@H]1F ZINC000595260708 449983177 /nfs/dbraw/zinc/98/31/77/449983177.db2.gz JSVMMBFQQXEFAB-GHMZBOCLSA-N 1 0 346.156 1.869 20 5 EDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000609269078 449995903 /nfs/dbraw/zinc/99/59/03/449995903.db2.gz KTZSEJCHLQXXRH-ZDUSSCGKSA-N 1 0 337.376 1.201 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000609268876 449996205 /nfs/dbraw/zinc/99/62/05/449996205.db2.gz HCHRJCPEQRMIPA-CYBMUJFWSA-N 1 0 336.392 1.234 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000597440359 450022034 /nfs/dbraw/zinc/02/20/34/450022034.db2.gz LSOAMUJNTXNAPG-CQSZACIVSA-N 1 0 334.376 1.415 20 5 EDBDRO Cc1ccc(NCCCNC(=O)N[C@]2(C)CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000597433976 450018798 /nfs/dbraw/zinc/01/87/98/450018798.db2.gz WYENFZPTNSYBPE-MRXNPFEDSA-N 1 0 335.408 1.756 20 5 EDBDRO CN1CC(=O)N(CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1=O ZINC000595354988 450070834 /nfs/dbraw/zinc/07/08/34/450070834.db2.gz SULWPWFOIJIMMH-UHFFFAOYSA-N 1 0 332.360 1.453 20 5 EDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601556587 450071635 /nfs/dbraw/zinc/07/16/35/450071635.db2.gz LZGBXYQANBDSTD-UKRRQHHQSA-N 1 0 332.404 1.997 20 5 EDBDRO CC(C)[NH2+][C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000609386067 450022865 /nfs/dbraw/zinc/02/28/65/450022865.db2.gz KEPBJIPLLHTQOC-GDBMZVCRSA-N 1 0 337.420 1.797 20 5 EDBDRO C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000615297194 450051751 /nfs/dbraw/zinc/05/17/51/450051751.db2.gz WHUVAFHHTKSEOK-ZIAGYGMSSA-N 1 0 327.406 1.497 20 5 EDBDRO C[C@@H]1CN(CCN(C)C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000601536258 450057590 /nfs/dbraw/zinc/05/75/90/450057590.db2.gz XLOZUALGWAFFMN-TXEJJXNPSA-N 1 0 339.367 1.915 20 5 EDBDRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000609675416 450083763 /nfs/dbraw/zinc/08/37/63/450083763.db2.gz REZDLOXQASVAEW-LLVKDONJSA-N 1 0 345.396 1.696 20 5 EDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000609833905 450102720 /nfs/dbraw/zinc/10/27/20/450102720.db2.gz ZRZZMQLGSDWLQS-CQSZACIVSA-N 1 0 337.424 1.789 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639098 450120915 /nfs/dbraw/zinc/12/09/15/450120915.db2.gz YCJSEQLRVLVABB-JJRVBVJISA-N 1 0 336.388 1.429 20 5 EDBDRO O=C(N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601659676 450148263 /nfs/dbraw/zinc/14/82/63/450148263.db2.gz XLDSPJMEQPAMJX-JKSUJKDBSA-N 1 0 345.399 1.294 20 5 EDBDRO COc1ccc([C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)cn1 ZINC000599701219 450164467 /nfs/dbraw/zinc/16/44/67/450164467.db2.gz RZDDEWDLFRLWSL-QGZVFWFLSA-N 1 0 344.371 1.901 20 5 EDBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](CO)C[NH+](C)C ZINC000597655685 450174640 /nfs/dbraw/zinc/17/46/40/450174640.db2.gz ZYVGHAZSAUFAQC-ONGXEEELSA-N 1 0 345.783 1.054 20 5 EDBDRO C[NH+]1CCC2(CCN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000597662965 450178561 /nfs/dbraw/zinc/17/85/61/450178561.db2.gz CTWQNAUTCNCLSV-UHFFFAOYSA-N 1 0 335.408 1.471 20 5 EDBDRO C[NH+]1CCN(Cc2cn(CCOc3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000603199595 450137031 /nfs/dbraw/zinc/13/70/31/450137031.db2.gz CKFUOSGVLNXCLI-UHFFFAOYSA-N 1 0 346.391 1.013 20 5 EDBDRO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000610272541 450179514 /nfs/dbraw/zinc/17/95/14/450179514.db2.gz YPXZXXONKSPPQM-SWLSCSKDSA-N 1 0 343.387 1.920 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+]C2(CCO)CCCC2)c([N+](=O)[O-])c1 ZINC000595509399 450195890 /nfs/dbraw/zinc/19/58/90/450195890.db2.gz SSUBZIIHYMWOJJ-UHFFFAOYSA-N 1 0 337.376 1.827 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCOC[C@@H]2CCOC2)n1 ZINC000618568476 450247705 /nfs/dbraw/zinc/24/77/05/450247705.db2.gz WPAVQSWBUYLIIT-QLFBSQMISA-N 1 0 338.408 1.918 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2nnc3n2CCOC3)n1 ZINC000618577724 450251098 /nfs/dbraw/zinc/25/10/98/450251098.db2.gz COCNSGCKNWXBHN-VXGBXAGGSA-N 1 0 347.379 1.187 20 5 EDBDRO C[S@@](=O)C1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000619655784 450298616 /nfs/dbraw/zinc/29/86/16/450298616.db2.gz QGNVIMPTSMLHKC-JOCHJYFZSA-N 1 0 326.374 1.367 20 5 EDBDRO C[N@@H+]1CCC[C@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000618807343 450306357 /nfs/dbraw/zinc/30/63/57/450306357.db2.gz YAYTVKCLSBGCTQ-LBPRGKRZSA-N 1 0 336.396 1.232 20 5 EDBDRO CN1CC[NH+](CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000603626515 450337123 /nfs/dbraw/zinc/33/71/23/450337123.db2.gz LHCXRDDBIBEHLW-UHFFFAOYSA-N 1 0 334.420 1.281 20 5 EDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000619747971 450325568 /nfs/dbraw/zinc/32/55/68/450325568.db2.gz JCJRLBKXCOHRHY-WDZFZDKYSA-N 1 0 339.417 1.668 20 5 EDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000618924577 450342227 /nfs/dbraw/zinc/34/22/27/450342227.db2.gz ZKTJJVWEFORKAR-KRWDZBQOSA-N 1 0 335.404 1.443 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000610886914 450369794 /nfs/dbraw/zinc/36/97/94/450369794.db2.gz FHFRHDILNYTQFC-CYBMUJFWSA-N 1 0 337.376 1.905 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000619486900 450487871 /nfs/dbraw/zinc/48/78/71/450487871.db2.gz IEEYZRRDWDVMIF-SNVBAGLBSA-N 1 0 331.394 1.222 20 5 EDBDRO Cc1cc(OCC(=O)Nc2cnn(CC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000619528356 450499274 /nfs/dbraw/zinc/49/92/74/450499274.db2.gz BDECWSUNEYPWFM-UHFFFAOYSA-N 1 0 347.375 1.679 20 5 EDBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000155094554 534307753 /nfs/dbraw/zinc/30/77/53/534307753.db2.gz HOGYXGCWETVBBA-SECBINFHSA-N 1 0 342.193 1.720 20 5 EDBDRO CC(C)(C)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(N)=O ZINC000128966369 526279468 /nfs/dbraw/zinc/27/94/68/526279468.db2.gz AFYJYRZXXHEMFA-UHFFFAOYSA-N 1 0 340.355 1.648 20 5 EDBDRO CC[NH+](CC)CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000133083344 528136353 /nfs/dbraw/zinc/13/63/53/528136353.db2.gz MSJYBAUJVLXEPX-UHFFFAOYSA-N 1 0 331.376 1.852 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000173988848 528290417 /nfs/dbraw/zinc/29/04/17/528290417.db2.gz URMOPFVCPWKVOB-JTQLQIEISA-N 1 0 333.435 1.761 20 5 EDBDRO CC[C@@H]([NH2+]CCNC(=O)c1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000346796579 535803950 /nfs/dbraw/zinc/80/39/50/535803950.db2.gz QZVIIESXUKUQJX-CQSZACIVSA-N 1 0 329.360 1.856 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000346140634 535950881 /nfs/dbraw/zinc/95/08/81/535950881.db2.gz UCUITRPLIPRVQN-NEPJUHHUSA-N 1 0 338.412 1.038 20 5 EDBDRO C[NH2+][C@H]1CCCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000339902698 536412366 /nfs/dbraw/zinc/41/23/66/536412366.db2.gz XYYLNRNMCXPQLP-LBPRGKRZSA-N 1 0 334.376 1.577 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000353210593 536476902 /nfs/dbraw/zinc/47/69/02/536476902.db2.gz QDFHTIBNFFVYGV-WCQYABFASA-N 1 0 338.360 1.804 20 5 EDBDRO COc1cc(C(=O)NC[C@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000261602574 536492581 /nfs/dbraw/zinc/49/25/81/536492581.db2.gz BRRLLAALNLADSC-MRXNPFEDSA-N 1 0 337.376 1.732 20 5 EDBDRO COc1ccc(NC(=O)[C@@H](C)N2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261611246 536801515 /nfs/dbraw/zinc/80/15/15/536801515.db2.gz CCUNTIDUYMCFLT-BZNIZROVSA-N 1 0 336.392 1.601 20 5 EDBDRO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CN1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000742164289 579437313 /nfs/dbraw/zinc/43/73/13/579437313.db2.gz YWPMDFNXXZUWAQ-CYBMUJFWSA-N 1 0 342.355 1.094 20 5 EDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000725899034 578302965 /nfs/dbraw/zinc/30/29/65/578302965.db2.gz ZJEHXBCGVJXYIT-STQMWFEESA-N 1 0 344.371 1.669 20 5 EDBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729498506 578576997 /nfs/dbraw/zinc/57/69/97/578576997.db2.gz OXJSHFYRDFSRNW-HUUCEWRRSA-N 1 0 334.376 1.257 20 5 EDBDRO COC[C@H]1CCN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000739868923 579261805 /nfs/dbraw/zinc/26/18/05/579261805.db2.gz HAEIYUBTVMLJRV-LBPRGKRZSA-N 1 0 348.359 1.289 20 5 EDBDRO C[N@H+](C[C@@H]1CCOC1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000749967422 579746080 /nfs/dbraw/zinc/74/60/80/579746080.db2.gz SLBXYVZQTJMLLV-LBPRGKRZSA-N 1 0 348.359 1.289 20 5 EDBDRO O=C([C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000750069632 579750995 /nfs/dbraw/zinc/75/09/95/579750995.db2.gz XSRGFHWBAIKEFB-RDJZCZTQSA-N 1 0 347.415 1.963 20 5 EDBDRO COC(=O)C[C@@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000754529269 579905615 /nfs/dbraw/zinc/90/56/15/579905615.db2.gz XJSLMPLJQNCYCO-CQSZACIVSA-N 1 0 335.360 1.773 20 5 EDBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000762206579 580069676 /nfs/dbraw/zinc/06/96/76/580069676.db2.gz KCWQVSVHQSNUIE-CQSZACIVSA-N 1 0 334.376 1.363 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000771793371 580294166 /nfs/dbraw/zinc/29/41/66/580294166.db2.gz BBLFNPGDQFCDIW-GWCFXTLKSA-N 1 0 337.376 1.681 20 5 EDBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000771800167 580294370 /nfs/dbraw/zinc/29/43/70/580294370.db2.gz GUIDCCRLQOMYEV-ZDUSSCGKSA-N 1 0 337.376 1.683 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000776578566 580421975 /nfs/dbraw/zinc/42/19/75/580421975.db2.gz GKTCFTHPCNSSII-QZTJIDSGSA-N 1 0 349.431 1.815 20 5 EDBDRO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776580635 580422026 /nfs/dbraw/zinc/42/20/26/580422026.db2.gz XWPOJVKJSJCINF-HZPDHXFCSA-N 1 0 335.404 1.961 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000780867233 580535882 /nfs/dbraw/zinc/53/58/82/580535882.db2.gz NSOBKHQYWBCGMF-LBPRGKRZSA-N 1 0 327.406 1.666 20 5 EDBDRO C/C(=C\C(=O)N1CC[N@H+](CCO)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000781677517 580554452 /nfs/dbraw/zinc/55/44/52/580554452.db2.gz VLIYBJTXIPXBLJ-WYMLVPIESA-N 1 0 347.415 1.913 20 5 EDBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(=O)N(C)C ZINC000782477408 580575630 /nfs/dbraw/zinc/57/56/30/580575630.db2.gz PSHGLZUWBOWXFK-UHFFFAOYSA-N 1 0 340.355 1.473 20 5 EDBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000893045969 590633349 /nfs/dbraw/zinc/63/33/49/590633349.db2.gz BWIXQRCPALFGOP-DOMZBBRYSA-N 1 0 337.399 1.591 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1NCCC[NH+]1CCC(O)CC1 ZINC000891904700 590680263 /nfs/dbraw/zinc/68/02/63/590680263.db2.gz KTIXWDFYLUQWFH-UHFFFAOYSA-N 1 0 348.378 1.963 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000892204532 590862170 /nfs/dbraw/zinc/86/21/70/590862170.db2.gz ZJWFZGHZRZBSNC-BXUZGUMPSA-N 1 0 334.376 1.449 20 5 EDBDRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000893024473 591258926 /nfs/dbraw/zinc/25/89/26/591258926.db2.gz IBWWIDGQRPWAGQ-KGLIPLIRSA-N 1 0 337.424 1.903 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1C ZINC000896708631 591588581 /nfs/dbraw/zinc/58/85/81/591588581.db2.gz VOYWXHQPGDWOTD-CYBMUJFWSA-N 1 0 348.447 1.825 20 5 EDBDRO COc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000895125608 591602790 /nfs/dbraw/zinc/60/27/90/591602790.db2.gz WBMPRSJMKZICHJ-CYBMUJFWSA-N 1 0 336.392 1.736 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000895247831 591681002 /nfs/dbraw/zinc/68/10/02/591681002.db2.gz WZWBACWHTGUWNP-ABAIWWIYSA-N 1 0 336.392 1.428 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000897942337 591731415 /nfs/dbraw/zinc/73/14/15/591731415.db2.gz MDDXSLUIHDEXRM-AWEZNQCLSA-N 1 0 347.419 1.511 20 5 EDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4[C@H]3CCC[N@H+]4CCO)c21 ZINC000897221635 591776649 /nfs/dbraw/zinc/77/66/49/591776649.db2.gz NYHXVZUEJMAKSQ-ZIAGYGMSSA-N 1 0 343.387 1.573 20 5 EDBDRO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000900476231 592035931 /nfs/dbraw/zinc/03/59/31/592035931.db2.gz CYFALXUMSCQFHG-XXILOJSOSA-N 1 0 327.287 1.576 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000900810630 592132255 /nfs/dbraw/zinc/13/22/55/592132255.db2.gz HHYWLAWKNIHOQL-LSDHHAIUSA-N 1 0 348.447 1.884 20 5 EDBDRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCS(=O)(=O)C1 ZINC000903370120 592161592 /nfs/dbraw/zinc/16/15/92/592161592.db2.gz COIPXWCFDQSKFT-SWLSCSKDSA-N 1 0 342.417 1.758 20 5 EDBDRO C[N@@H+]1C[C@@H]2CN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@]2(C)C1 ZINC000904438084 592260091 /nfs/dbraw/zinc/26/00/91/592260091.db2.gz XCTLAWFLMFQWDM-PBHICJAKSA-N 1 0 342.403 1.694 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[NH2+]CCC23CCOCC3)c1 ZINC000903820148 592332913 /nfs/dbraw/zinc/33/29/13/592332913.db2.gz VCLXQTMWPNFQJY-MRXNPFEDSA-N 1 0 335.404 1.473 20 5 EDBDRO COc1cc(CNC2CC([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000906511440 592837649 /nfs/dbraw/zinc/83/76/49/592837649.db2.gz SWLWJQKQCDOTST-UHFFFAOYSA-N 1 0 331.319 1.827 20 5 EDBDRO CC(C)C[NH2+]C1(CO)CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000912596085 593107196 /nfs/dbraw/zinc/10/71/96/593107196.db2.gz LDGYUMNKHYOJQT-UHFFFAOYSA-N 1 0 349.431 1.736 20 5 EDBDRO C[NH+](C)CCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000807265098 593157602 /nfs/dbraw/zinc/15/76/02/593157602.db2.gz CXDIEAZBLLZZRH-UHFFFAOYSA-N 1 0 331.376 1.497 20 5 EDBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000808782628 593287914 /nfs/dbraw/zinc/28/79/14/593287914.db2.gz AETUQJOEWUFDDS-XOYOTBSWSA-N 1 0 347.415 1.865 20 5 EDBDRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000839471336 593303961 /nfs/dbraw/zinc/30/39/61/593303961.db2.gz WNMAYHGUOAKYJT-VIFPVBQESA-N 1 0 340.767 1.397 20 5 EDBDRO CCOCC[NH+]1CCN(Cn2nc(C)c3cc([N+](=O)[O-])ccc32)CC1 ZINC000764990656 593431561 /nfs/dbraw/zinc/43/15/61/593431561.db2.gz ZTTCOGZVBJUHJX-UHFFFAOYSA-N 1 0 347.419 1.865 20 5 EDBDRO Cc1cc(OCC(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000812326836 593496907 /nfs/dbraw/zinc/49/69/07/593496907.db2.gz YDVYUWPYLAHEPP-KGLIPLIRSA-N 1 0 333.388 1.692 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000818527664 593703443 /nfs/dbraw/zinc/70/34/43/593703443.db2.gz USJRNWYLVWYYGP-OLZOCXBDSA-N 1 0 329.360 1.297 20 5 EDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000818563614 593704939 /nfs/dbraw/zinc/70/49/39/593704939.db2.gz PVWFFMMRXQDAOZ-OLZOCXBDSA-N 1 0 348.403 1.241 20 5 EDBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCC2C[NH2+]C2)CC1 ZINC000818566656 593705177 /nfs/dbraw/zinc/70/51/77/593705177.db2.gz IMMYTUVNMGZFRN-UHFFFAOYSA-N 1 0 332.404 1.780 20 5 EDBDRO Cc1c(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818589780 593706147 /nfs/dbraw/zinc/70/61/47/593706147.db2.gz GIXIFFAVHASDAE-QEVYDEPDSA-N 1 0 336.348 1.928 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2(N3CCCC3)CCOCC2)cc1 ZINC000819021614 593734270 /nfs/dbraw/zinc/73/42/70/593734270.db2.gz UINYRRXIGPLFCE-QGZVFWFLSA-N 1 0 349.431 1.863 20 5 EDBDRO CC(C)n1cc2c(n1)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000819218566 593744867 /nfs/dbraw/zinc/74/48/67/593744867.db2.gz PXOUAYLAIUXGGQ-LSDHHAIUSA-N 1 0 348.407 1.597 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000819718141 593764771 /nfs/dbraw/zinc/76/47/71/593764771.db2.gz RMDLEUVCZGIKIO-XJKSGUPXSA-N 1 0 343.387 1.497 20 5 EDBDRO Nc1ccc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000823932802 593889931 /nfs/dbraw/zinc/88/99/31/593889931.db2.gz FCSZAIQLLPEUHY-LBPRGKRZSA-N 1 0 337.380 1.145 20 5 EDBDRO O=C(NCC[NH+]1CCC(O)CC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000821870002 593957707 /nfs/dbraw/zinc/95/77/07/593957707.db2.gz FPUJHXUJBGUDBU-JKSUJKDBSA-N 1 0 333.388 1.271 20 5 EDBDRO Nc1c(C(=O)N2CC([NH+]3CCCC3)C2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC000824865773 594086832 /nfs/dbraw/zinc/08/68/32/594086832.db2.gz IHSDHWFMKBDNKC-UHFFFAOYSA-N 1 0 342.758 1.890 20 5 EDBDRO O=c1cc(-c2nc(N3CC[NH2+]CC3)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000823309232 594183375 /nfs/dbraw/zinc/18/33/75/594183375.db2.gz DOAMJBGHEPCIRS-UHFFFAOYSA-N 1 0 342.315 1.308 20 5 EDBDRO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000825760244 594240319 /nfs/dbraw/zinc/24/03/19/594240319.db2.gz FUOPRIWPDGUNRI-HZPDHXFCSA-N 1 0 333.388 1.715 20 5 EDBDRO NS(=O)(=O)c1ccc(OCCCCCCC[NH3+])c([N+](=O)[O-])c1 ZINC000830305110 594371997 /nfs/dbraw/zinc/37/19/97/594371997.db2.gz GIIIGERYAKDKGX-UHFFFAOYSA-N 1 0 331.394 1.530 20 5 EDBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826635607 594544720 /nfs/dbraw/zinc/54/47/20/594544720.db2.gz QWMVIFFYVHYZED-CJNGLKHVSA-N 1 0 335.404 1.819 20 5 EDBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827213425 594653207 /nfs/dbraw/zinc/65/32/07/594653207.db2.gz OSIGKRBIHKKQFT-BMFZPTHFSA-N 1 0 333.388 1.571 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000827244951 594655857 /nfs/dbraw/zinc/65/58/57/594655857.db2.gz GSSADUPGYPRFKT-GXFFZTMASA-N 1 0 337.351 1.909 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000832399328 594747573 /nfs/dbraw/zinc/74/75/73/594747573.db2.gz ABBJWWDJWBKDRZ-VIFPVBQESA-N 1 0 335.813 1.785 20 5 EDBDRO O=C(NCC[NH2+]C1CC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841166433 594861789 /nfs/dbraw/zinc/86/17/89/594861789.db2.gz RLKHXVVNWPRDFS-UHFFFAOYSA-N 1 0 326.740 1.055 20 5 EDBDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841195536 594866801 /nfs/dbraw/zinc/86/68/01/594866801.db2.gz XEUPJJNURHSQAS-JTQLQIEISA-N 1 0 342.783 1.820 20 5 EDBDRO COc1cc(Cc2noc([C@H]3C[C@@H]([NH3+])C3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000843225699 595044536 /nfs/dbraw/zinc/04/45/36/595044536.db2.gz NAJSRLGAOYKAFK-AOOOYVTPSA-N 1 0 334.332 1.791 20 5 EDBDRO C[C@]1(C[NH3+])CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000843379260 595094810 /nfs/dbraw/zinc/09/48/10/595094810.db2.gz XKLGQGGVCJYQIQ-CQSZACIVSA-N 1 0 326.784 1.857 20 5 EDBDRO CCC[C@H]1C[NH2+]CCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000843454860 595116478 /nfs/dbraw/zinc/11/64/78/595116478.db2.gz XZMFGCZWBFYOOW-NSHDSACASA-N 1 0 325.340 1.713 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc([N+](=O)[O-])c1F ZINC000842480472 595116925 /nfs/dbraw/zinc/11/69/25/595116925.db2.gz XOIYCJRQXOGUPW-GXFFZTMASA-N 1 0 343.380 1.415 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc1C ZINC000842484523 595120168 /nfs/dbraw/zinc/12/01/68/595120168.db2.gz AFMUNQHCOCSKOY-HNNXBMFYSA-N 1 0 339.417 1.728 20 5 EDBDRO Cc1cc(F)cc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000834565310 595163651 /nfs/dbraw/zinc/16/36/51/595163651.db2.gz SROLXGULXVXVOC-INIZCTEOSA-N 1 0 339.367 1.571 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCC1CC[NH2+]CC1 ZINC000842687391 595170836 /nfs/dbraw/zinc/17/08/36/595170836.db2.gz RKIJNPIUKQACGM-UHFFFAOYSA-N 1 0 333.797 1.526 20 5 EDBDRO Cc1cc(Cl)c(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000842708328 595175600 /nfs/dbraw/zinc/17/56/00/595175600.db2.gz LBXRIJMBGVVDBL-JTQLQIEISA-N 1 0 347.824 1.835 20 5 EDBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC[NH2+]1 ZINC000834677772 595188590 /nfs/dbraw/zinc/18/85/90/595188590.db2.gz LMZLSUYMONNZHZ-STQMWFEESA-N 1 0 348.403 1.302 20 5 EDBDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000843103407 595287760 /nfs/dbraw/zinc/28/77/60/595287760.db2.gz ARYZQZRIUKLARB-RAIGVLPGSA-N 1 0 340.405 1.316 20 5 EDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766415 595600677 /nfs/dbraw/zinc/60/06/77/595600677.db2.gz NKPPTPNKZHEIPU-BXKDBHETSA-N 1 0 329.303 1.681 20 5 EDBDRO [NH3+]CC1(CCNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000857769076 595602561 /nfs/dbraw/zinc/60/25/61/595602561.db2.gz ZLBHJWJLFKMJKD-UHFFFAOYSA-N 1 0 329.303 1.812 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)CCC[NH+](C)C ZINC000855414712 595704469 /nfs/dbraw/zinc/70/44/69/595704469.db2.gz JXUFSEPGULIPCB-CCEZHUSRSA-N 1 0 348.447 1.998 20 5 EDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000855809906 595828499 /nfs/dbraw/zinc/82/84/99/595828499.db2.gz OVHMKGNTCRHCOI-LLVKDONJSA-N 1 0 333.392 1.709 20 5 EDBDRO [NH3+]C1(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000858621920 595847558 /nfs/dbraw/zinc/84/75/58/595847558.db2.gz GLBOVKLZPWQUKZ-UHFFFAOYSA-N 1 0 349.796 1.034 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000858632683 595851456 /nfs/dbraw/zinc/85/14/56/595851456.db2.gz QJAPMKSQFVCKQW-NXEZZACHSA-N 1 0 347.824 1.975 20 5 EDBDRO C[C@@H]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H](C[NH3+])C1 ZINC000851646974 595866676 /nfs/dbraw/zinc/86/66/76/595866676.db2.gz WFIFPHGKJBPRKH-RISCZKNCSA-N 1 0 331.376 1.530 20 5 EDBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000853964824 595935656 /nfs/dbraw/zinc/93/56/56/595935656.db2.gz BJPXHMJQKQWKHF-INIZCTEOSA-N 1 0 335.404 1.777 20 5 EDBDRO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCC[NH+]1CCC1 ZINC000861384888 595967870 /nfs/dbraw/zinc/96/78/70/595967870.db2.gz HQGIUQHONWAZSM-UHFFFAOYSA-N 1 0 349.343 1.532 20 5 EDBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861712713 596077458 /nfs/dbraw/zinc/07/74/58/596077458.db2.gz SFKUVQISZBZIMF-WDEREUQCSA-N 1 0 339.779 1.529 20 5 EDBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cccc([N+](=O)[O-])c1Cl ZINC000861862430 596128464 /nfs/dbraw/zinc/12/84/64/596128464.db2.gz QRGUPQQQIGNPLN-NSHDSACASA-N 1 0 341.795 1.825 20 5 EDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000854650927 596150902 /nfs/dbraw/zinc/15/09/02/596150902.db2.gz AVPNKLBNJBSATF-MFKMUULPSA-N 1 0 325.340 1.664 20 5 EDBDRO COC(=O)N(C)CC[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000852571243 596200832 /nfs/dbraw/zinc/20/08/32/596200832.db2.gz MNSZLTOJKRGXBR-UHFFFAOYSA-N 1 0 325.365 1.994 20 5 EDBDRO CC[C@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1cccc([N+](=O)[O-])c1 ZINC000866555815 596249992 /nfs/dbraw/zinc/24/99/92/596249992.db2.gz OLMSMQOYWWABFT-DOTOQJQBSA-N 1 0 349.387 1.263 20 5 EDBDRO CS(=O)(=O)N[C@@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000122321297 596336438 /nfs/dbraw/zinc/33/64/38/596336438.db2.gz RKXASAYVLJPQNE-LLVKDONJSA-N 1 0 347.824 1.762 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+]CCC1(C)C ZINC000866804188 596356180 /nfs/dbraw/zinc/35/61/80/596356180.db2.gz CXJWCWGDLGPPDB-UHFFFAOYSA-N 1 0 327.406 1.666 20 5 EDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000866820446 596364212 /nfs/dbraw/zinc/36/42/12/596364212.db2.gz RRTKKHWYGKXDDV-CMPLNLGQSA-N 1 0 343.380 1.497 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc([N+](=O)[O-])c1F ZINC000866827929 596368490 /nfs/dbraw/zinc/36/84/90/596368490.db2.gz TXWLCYHPUOCMCC-RYUDHWBXSA-N 1 0 343.380 1.557 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c1C ZINC000866831931 596371078 /nfs/dbraw/zinc/37/10/78/596371078.db2.gz VKZHGLTXXWAQGK-UONOGXRCSA-N 1 0 339.417 1.727 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000119346053 596521402 /nfs/dbraw/zinc/52/14/02/596521402.db2.gz UCKDFAWQYBQKMJ-INIZCTEOSA-N 1 0 344.371 1.999 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000867807698 596560502 /nfs/dbraw/zinc/56/05/02/596560502.db2.gz KCSVPRCFJROZOD-RISCZKNCSA-N 1 0 325.390 1.310 20 5 EDBDRO CC[NH+]1CCC(N2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000863499875 596600745 /nfs/dbraw/zinc/60/07/45/596600745.db2.gz KFUKWOKAIYWLEF-QGZVFWFLSA-N 1 0 346.387 1.846 20 5 EDBDRO CC[N@H+](CCN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000863503617 596602956 /nfs/dbraw/zinc/60/29/56/596602956.db2.gz NRGWZNQBHRIPEZ-QGZVFWFLSA-N 1 0 346.387 1.846 20 5 EDBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000869815613 596647757 /nfs/dbraw/zinc/64/77/57/596647757.db2.gz COVBUCWYQIVKTL-UHFFFAOYSA-N 1 0 341.371 1.136 20 5 EDBDRO C[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872092792 596803683 /nfs/dbraw/zinc/80/36/83/596803683.db2.gz RBFJIXBRDJFVGI-BONVTDFDSA-N 1 0 339.323 1.606 20 5 EDBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000124809551 596921265 /nfs/dbraw/zinc/92/12/65/596921265.db2.gz FGKXSBYQAPCWBE-UHFFFAOYSA-N 1 0 345.396 1.744 20 5 EDBDRO C[N@@H+]1CC[C@H]2CN(Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)CC[C@H]21 ZINC000872725949 597048379 /nfs/dbraw/zinc/04/83/79/597048379.db2.gz KGELCFVRFLODKV-LSDHHAIUSA-N 1 0 342.403 1.837 20 5 EDBDRO CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(C)(C)S(C)(=O)=O ZINC000124399054 597190825 /nfs/dbraw/zinc/19/08/25/597190825.db2.gz JIQSKNOAJOKPKU-UHFFFAOYSA-N 1 0 341.389 1.991 20 5 EDBDRO CN(CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C)c1ccccc1[N+](=O)[O-] ZINC000874836358 597191189 /nfs/dbraw/zinc/19/11/89/597191189.db2.gz GEZVJZYGZYLREF-CABCVRRESA-N 1 0 332.404 1.726 20 5 EDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000874848286 597199939 /nfs/dbraw/zinc/19/99/39/597199939.db2.gz RMDOPMLGJBSSDD-HZPDHXFCSA-N 1 0 332.404 1.970 20 5 EDBDRO COc1cc(OCC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)ccc1[N+](=O)[O-] ZINC000877278896 597485635 /nfs/dbraw/zinc/48/56/35/597485635.db2.gz ATDOIWSBCMOBSS-CHWSQXEVSA-N 1 0 335.360 1.335 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)CC3(O)CCCC3)CC2)cc1 ZINC000877914041 597563759 /nfs/dbraw/zinc/56/37/59/597563759.db2.gz YJRKXMYYERLWRO-KRWDZBQOSA-N 1 0 349.431 1.773 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000878427958 597601009 /nfs/dbraw/zinc/60/10/09/597601009.db2.gz IUEVYSILSVKIEI-LLVKDONJSA-N 1 0 335.360 1.580 20 5 EDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CCN1c1cc[nH+]cc1 ZINC000883140916 597664821 /nfs/dbraw/zinc/66/48/21/597664821.db2.gz JGUKVVLILIQENH-LBPRGKRZSA-N 1 0 329.360 1.679 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+]CCC23CCC3)c([N+](=O)[O-])s1 ZINC000883479391 597768358 /nfs/dbraw/zinc/76/83/58/597768358.db2.gz WWJXNRWZBZSXIV-UHFFFAOYSA-N 1 0 345.446 1.871 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC000879245263 597863555 /nfs/dbraw/zinc/86/35/55/597863555.db2.gz XCAWDLOLTLDQKC-WMZOPIPTSA-N 1 0 343.383 1.955 20 5 EDBDRO C[N@H+](CCCOC(=O)Cn1cnc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000129548942 597915868 /nfs/dbraw/zinc/91/58/68/597915868.db2.gz QNVYBJFPDDSNGB-UHFFFAOYSA-N 1 0 333.348 1.252 20 5 EDBDRO CC(C)[NH2+][C@@H]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820138633 606704792 /nfs/dbraw/zinc/70/47/92/606704792.db2.gz ZWIMJRDYHLVYQI-SNVBAGLBSA-N 1 0 332.368 1.137 20 5 EDBDRO C[C@H]1CCCC[N@@H+]1CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820702843 607168498 /nfs/dbraw/zinc/16/84/98/607168498.db2.gz AMRSANMPUZAKBF-JTQLQIEISA-N 1 0 332.368 1.456 20 5 EDBDRO C[N@H+]1C[C@]2(C)CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000918351238 697156158 /nfs/dbraw/zinc/15/61/58/697156158.db2.gz IZEZQSLXHDYCEW-GASCZTMLSA-N 1 0 339.417 1.557 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000920421489 697429146 /nfs/dbraw/zinc/42/91/46/697429146.db2.gz PPHWDZVENPKTGJ-CYBMUJFWSA-N 1 0 338.408 1.923 20 5 EDBDRO CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN(C(=O)c2cnon2)CC1 ZINC000940384913 700559694 /nfs/dbraw/zinc/55/96/94/700559694.db2.gz CSQSCHRRLJPCDS-UHFFFAOYSA-N 1 0 345.359 1.762 20 5 EDBDRO CC(C)c1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC000996442018 702771369 /nfs/dbraw/zinc/77/13/69/702771369.db2.gz UOYUFUAIASQHFB-CHWSQXEVSA-N 1 0 336.392 1.544 20 5 EDBDRO O=C(c1ccnnc1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000997035268 703287124 /nfs/dbraw/zinc/28/71/24/703287124.db2.gz ADTZTMMPKUHEBI-UHFFFAOYSA-N 1 0 341.371 1.779 20 5 EDBDRO O=C(c1ncccn1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000997107320 703352893 /nfs/dbraw/zinc/35/28/93/703352893.db2.gz NDDAFEPQAXYWOO-UHFFFAOYSA-N 1 0 341.371 1.779 20 5 EDBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922850692 704437799 /nfs/dbraw/zinc/43/77/99/704437799.db2.gz UQGPGVYYIBTGLF-UHFFFAOYSA-N 1 0 333.388 1.968 20 5 EDBDRO Cc1ncccc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000997772619 704674371 /nfs/dbraw/zinc/67/43/71/704674371.db2.gz PKQDMNXMIMUOOG-HZPDHXFCSA-N 1 0 332.404 1.383 20 5 EDBDRO O=C(Cc1ccon1)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001002495743 709048606 /nfs/dbraw/zinc/04/86/06/709048606.db2.gz UOITUEWFUZHYRN-UHFFFAOYSA-N 1 0 344.371 1.906 20 5 EDBDRO Cn1cnc(C(=O)NC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001002601833 709163380 /nfs/dbraw/zinc/16/33/80/709163380.db2.gz RNUNWTUGRRVJAE-UHFFFAOYSA-N 1 0 343.387 1.723 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000173611817 230984427 /nfs/dbraw/zinc/98/44/27/230984427.db2.gz ZVEALFOERJFPAG-ZDUSSCGKSA-N 1 0 348.403 1.560 20 5 EDBDRO Cc1nn(C)c(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000098104832 219083928 /nfs/dbraw/zinc/08/39/28/219083928.db2.gz WDGXKZLNAWGLBQ-RYUDHWBXSA-N 1 0 337.424 1.735 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[NH2+]C(C)(C)C)c1F ZINC000412125093 303975095 /nfs/dbraw/zinc/97/50/95/303975095.db2.gz NRCLTFOQZGCXGG-UHFFFAOYSA-N 1 0 327.356 1.789 20 5 EDBDRO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H]1CCCC[C@@H]1O ZINC000181455762 529829797 /nfs/dbraw/zinc/82/97/97/529829797.db2.gz RHTIDFZLYFVXII-PBHICJAKSA-N 1 0 347.415 1.967 20 5 EDBDRO C[NH+](C)CCC1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000102489919 219206903 /nfs/dbraw/zinc/20/69/03/219206903.db2.gz QGTQCWBCUIKNMZ-UHFFFAOYSA-N 1 0 337.424 1.717 20 5 EDBDRO C[C@@H]1CCC[C@@](CNC(=O)CCn2cc([N+](=O)[O-])cn2)([NH+](C)C)C1 ZINC000068209110 215290231 /nfs/dbraw/zinc/29/02/31/215290231.db2.gz MGBNJGKBWKKCJV-CZUORRHYSA-N 1 0 337.424 1.808 20 5 EDBDRO C[C@@H]1CCC[C@H](C)N1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000562999041 306315145 /nfs/dbraw/zinc/31/51/45/306315145.db2.gz GNSNOJRIVVTELZ-VNHYZAJKSA-N 1 0 325.413 1.005 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1ccc(O)cc1 ZINC000562995515 306314987 /nfs/dbraw/zinc/31/49/87/306314987.db2.gz UOBWMUVNGHQVON-OAHLLOKOSA-N 1 0 332.356 1.872 20 5 EDBDRO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(Cc1csc([N+](=O)[O-])c1)C2=O ZINC000563080993 306317970 /nfs/dbraw/zinc/31/79/70/306317970.db2.gz TYEFUIAXOBUXCV-HZMBPMFUSA-N 1 0 338.389 1.596 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000367580350 283078139 /nfs/dbraw/zinc/07/81/39/283078139.db2.gz AWPMZNQBZFKDJN-YPMHNXCESA-N 1 0 325.390 1.310 20 5 EDBDRO CC1(C)CC[N@H+](CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000563385241 306331228 /nfs/dbraw/zinc/33/12/28/306331228.db2.gz SUZWTPYHMQRMMM-ZDUSSCGKSA-N 1 0 347.419 1.735 20 5 EDBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000247668188 283161054 /nfs/dbraw/zinc/16/10/54/283161054.db2.gz ZAVKDCCYGHQRPZ-STQMWFEESA-N 1 0 339.417 1.700 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000089952301 138276407 /nfs/dbraw/zinc/27/64/07/138276407.db2.gz WTGUKESJWIFHEI-TZMCWYRMSA-N 1 0 326.422 1.778 20 5 EDBDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000090394473 138278280 /nfs/dbraw/zinc/27/82/80/138278280.db2.gz JXHVLRWUYKEAML-YPMHNXCESA-N 1 0 331.376 1.998 20 5 EDBDRO Cc1nn(C)c(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000132933619 138385549 /nfs/dbraw/zinc/38/55/49/138385549.db2.gz IYEUYHHITSGHMP-ZIAGYGMSSA-N 1 0 337.424 1.817 20 5 EDBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000362776232 283376511 /nfs/dbraw/zinc/37/65/11/283376511.db2.gz UDHKQOTVVYCPPW-CQSZACIVSA-N 1 0 333.388 1.942 20 5 EDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000185244576 138803219 /nfs/dbraw/zinc/80/32/19/138803219.db2.gz HRWPTGJVWZSNLY-UHFFFAOYSA-N 1 0 333.392 1.709 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000192029817 138933380 /nfs/dbraw/zinc/93/33/80/138933380.db2.gz VRLAKDLPWLKFAG-GFCCVEGCSA-N 1 0 327.406 1.699 20 5 EDBDRO C[C@H](O)CC(C)(C)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566909911 306432572 /nfs/dbraw/zinc/43/25/72/306432572.db2.gz RBLCOPZQWQPQOQ-QWHCGFSZSA-N 1 0 326.393 1.721 20 5 EDBDRO COc1ccc(CN2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1[N+](=O)[O-] ZINC000415119964 304161208 /nfs/dbraw/zinc/16/12/08/304161208.db2.gz FOVTZQVTFYCGQE-CQSZACIVSA-N 1 0 346.391 1.491 20 5 EDBDRO Cc1nn(C)c(C(=O)N(C)CC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000195099950 139007041 /nfs/dbraw/zinc/00/70/41/139007041.db2.gz XUFLUTHSEBCAIQ-UHFFFAOYSA-N 1 0 337.424 1.973 20 5 EDBDRO C[NH2+]CC1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000237093616 139040395 /nfs/dbraw/zinc/04/03/95/139040395.db2.gz YJYAJIFVNXGAPN-UHFFFAOYSA-N 1 0 343.387 1.852 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000237205199 139044220 /nfs/dbraw/zinc/04/42/20/139044220.db2.gz SHPPFXICDSVRST-GHMZBOCLSA-N 1 0 343.405 1.351 20 5 EDBDRO COCCN(C)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237259447 139045840 /nfs/dbraw/zinc/04/58/40/139045840.db2.gz LHMWRGGJCIGKLC-UHFFFAOYSA-N 1 0 347.419 1.663 20 5 EDBDRO COC[C@](C)(CCO)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000079920873 217264584 /nfs/dbraw/zinc/26/45/84/217264584.db2.gz VOYDGMCBAWPMDT-AWEZNQCLSA-N 1 0 345.783 1.564 20 5 EDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000237992737 139065876 /nfs/dbraw/zinc/06/58/76/139065876.db2.gz MZOAKNPTARPXGW-RISCZKNCSA-N 1 0 344.375 1.423 20 5 EDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000360118796 284573520 /nfs/dbraw/zinc/57/35/20/284573520.db2.gz RQSXYLUEANNLKI-KBPBESRZSA-N 1 0 339.417 1.863 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000415358537 304203461 /nfs/dbraw/zinc/20/34/61/304203461.db2.gz XOAQQFFYRVFGLT-RYUDHWBXSA-N 1 0 334.376 1.346 20 5 EDBDRO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000248199231 139159433 /nfs/dbraw/zinc/15/94/33/139159433.db2.gz NBEMNGQPBNBPDZ-QLFBSQMISA-N 1 0 338.408 1.432 20 5 EDBDRO C[C@@H](C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nccs1 ZINC000248466060 139165556 /nfs/dbraw/zinc/16/55/56/139165556.db2.gz SBUKYCCOUDXSAQ-CMPLNLGQSA-N 1 0 325.394 1.344 20 5 EDBDRO C[C@H](C[S@@](C)=O)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248634831 139169373 /nfs/dbraw/zinc/16/93/73/139169373.db2.gz UTABSHMYANFDDK-ZRUHOGSISA-N 1 0 330.406 1.033 20 5 EDBDRO CNC(=O)c1ccc(NCC2(COC)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000261604642 139210052 /nfs/dbraw/zinc/21/00/52/139210052.db2.gz CJHLXIYTMLBZCB-UHFFFAOYSA-N 1 0 336.392 1.383 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000261618729 139211690 /nfs/dbraw/zinc/21/16/90/139211690.db2.gz BSYZCJWTMUWYLK-QWRGUYRKSA-N 1 0 337.376 1.811 20 5 EDBDRO Cn1c(Sc2ncc([N+](=O)[O-])cc2F)nnc1C1CC[NH2+]CC1 ZINC000413144713 250646364 /nfs/dbraw/zinc/64/63/64/250646364.db2.gz KPNGWLRSKHSABB-UHFFFAOYSA-N 1 0 338.368 1.876 20 5 EDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000261688913 139217654 /nfs/dbraw/zinc/21/76/54/139217654.db2.gz IJFMOSMBNKPIFS-VXGBXAGGSA-N 1 0 329.360 1.590 20 5 EDBDRO COc1cc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000261707534 139219415 /nfs/dbraw/zinc/21/94/15/139219415.db2.gz PISWUTBJCKJEGC-QWRGUYRKSA-N 1 0 337.376 1.730 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1 ZINC000261696802 139218484 /nfs/dbraw/zinc/21/84/84/139218484.db2.gz JMDDALSSNZFFIL-ZBFHGGJFSA-N 1 0 343.387 1.382 20 5 EDBDRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000261782093 139225513 /nfs/dbraw/zinc/22/55/13/139225513.db2.gz GCHXZMZBJIDOPH-LBPRGKRZSA-N 1 0 346.309 1.161 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261812138 139228089 /nfs/dbraw/zinc/22/80/89/139228089.db2.gz WYYJDNCTQOFAON-UHFFFAOYSA-N 1 0 345.403 1.520 20 5 EDBDRO CN(CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1[N+](=O)[O-] ZINC000261811260 139228119 /nfs/dbraw/zinc/22/81/19/139228119.db2.gz NKFRLCJFEMYHTD-OKILXGFUSA-N 1 0 332.404 1.489 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000261878111 139233454 /nfs/dbraw/zinc/23/34/54/139233454.db2.gz MFFRMRXIYOFSBQ-GHMZBOCLSA-N 1 0 343.405 1.209 20 5 EDBDRO COc1cc(CN[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414885442 250877014 /nfs/dbraw/zinc/87/70/14/250877014.db2.gz PBXJLBTWFBHVKB-SNVBAGLBSA-N 1 0 349.309 1.996 20 5 EDBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415430950 250930125 /nfs/dbraw/zinc/93/01/25/250930125.db2.gz DENAAFDEQCEPLB-VROVMSAKSA-N 1 0 330.266 1.953 20 5 EDBDRO C[C@H]1CN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C[NH2+]1 ZINC000415568396 304227317 /nfs/dbraw/zinc/22/73/17/304227317.db2.gz QUMSVEDLIVRXJI-IUCAKERBSA-N 1 0 340.767 1.396 20 5 EDBDRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000415556235 251009952 /nfs/dbraw/zinc/00/99/52/251009952.db2.gz VPMYNKJFDIPFOY-UHFFFAOYSA-N 1 0 334.376 1.381 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000415577444 304230565 /nfs/dbraw/zinc/23/05/65/304230565.db2.gz AIWZVCOYUWXEGM-AVGNSLFASA-N 1 0 346.387 1.346 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000262571067 139287512 /nfs/dbraw/zinc/28/75/12/139287512.db2.gz XLGFFBNGUQPVTI-ZDUSSCGKSA-N 1 0 347.824 1.914 20 5 EDBDRO CC[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000419163193 251490690 /nfs/dbraw/zinc/49/06/90/251490690.db2.gz LCMXCKMCTQCQBT-TUKIKUTGSA-N 1 0 348.403 1.276 20 5 EDBDRO C[C@H](CC[NH3+])Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000420228497 251650475 /nfs/dbraw/zinc/65/04/75/251650475.db2.gz FIVMESXVJXIMPF-LLVKDONJSA-N 1 0 342.421 1.529 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000420412325 251708877 /nfs/dbraw/zinc/70/88/77/251708877.db2.gz CTHQTXWTFJBMPW-ZDUSSCGKSA-N 1 0 327.406 1.008 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000262750543 139301173 /nfs/dbraw/zinc/30/11/73/139301173.db2.gz BSQFCGMQCJMWDA-VXGBXAGGSA-N 1 0 327.406 1.630 20 5 EDBDRO COC(=O)c1cc(NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000415592889 304235023 /nfs/dbraw/zinc/23/50/23/304235023.db2.gz CWRPSTSIOFWSHL-ONGXEEELSA-N 1 0 336.348 1.643 20 5 EDBDRO COc1cc(C[NH2+]CCCCS(C)(=O)=O)c([N+](=O)[O-])cc1OC ZINC000424176587 252154261 /nfs/dbraw/zinc/15/42/61/252154261.db2.gz YCRBMHQMIZBOIC-UHFFFAOYSA-N 1 0 346.405 1.526 20 5 EDBDRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415636590 304243969 /nfs/dbraw/zinc/24/39/69/304243969.db2.gz YAIPMBHXFFSCNE-PELKAZGASA-N 1 0 326.328 1.968 20 5 EDBDRO C[C@@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000180880636 296361155 /nfs/dbraw/zinc/36/11/55/296361155.db2.gz VJTCWJVCWMLYMZ-QMTHXVAHSA-N 1 0 345.396 1.920 20 5 EDBDRO CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000459802028 255003236 /nfs/dbraw/zinc/00/32/36/255003236.db2.gz LWXPAAFJECUEEQ-SKDRFNHKSA-N 1 0 337.332 1.419 20 5 EDBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000493492533 255211801 /nfs/dbraw/zinc/21/18/01/255211801.db2.gz SJVFNGYXEGXTBT-RTRPANQVSA-N 1 0 331.372 1.181 20 5 EDBDRO CC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000118957525 221211003 /nfs/dbraw/zinc/21/10/03/221211003.db2.gz BPMQWJWOWFTGIP-UHFFFAOYSA-N 1 0 333.435 1.727 20 5 EDBDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000154697323 224291329 /nfs/dbraw/zinc/29/13/29/224291329.db2.gz WCIKKQYHRKIHTC-OCCSQVGLSA-N 1 0 341.433 1.839 20 5 EDBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000184355906 533580797 /nfs/dbraw/zinc/58/07/97/533580797.db2.gz SZBDZGBIQZWSSZ-KIUWMYQTSA-N 1 0 346.431 1.750 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CCOCC1 ZINC000265223874 139461994 /nfs/dbraw/zinc/46/19/94/139461994.db2.gz NZHRCOSGGDGPND-UHFFFAOYSA-N 1 0 325.340 1.575 20 5 EDBDRO NC(=O)c1ccc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000265526445 139484159 /nfs/dbraw/zinc/48/41/59/139484159.db2.gz SUPLRMYMYYODKL-LBPRGKRZSA-N 1 0 348.403 1.607 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CO)CC2CCCCC2)c1 ZINC000571446369 306566064 /nfs/dbraw/zinc/56/60/64/306566064.db2.gz SDVGUYZMEKWBOU-DZGCQCFKSA-N 1 0 326.397 1.073 20 5 EDBDRO C[C@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[C@@H]1[NH3+] ZINC000269215208 139895733 /nfs/dbraw/zinc/89/57/33/139895733.db2.gz PEJZBBRRFVNECQ-NHYWBVRUSA-N 1 0 329.360 1.590 20 5 EDBDRO CC[N@H+](CCCO)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000270745801 140160916 /nfs/dbraw/zinc/16/09/16/140160916.db2.gz RYDFEGKSJCZBKP-LLVKDONJSA-N 1 0 325.365 1.635 20 5 EDBDRO COc1cc(N[C@H](C)CN2CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000271071104 140230988 /nfs/dbraw/zinc/23/09/88/140230988.db2.gz FGJSTTBXLLYJFL-LLVKDONJSA-N 1 0 326.372 1.790 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000271737394 140341740 /nfs/dbraw/zinc/34/17/40/140341740.db2.gz VLHDTAHBJCBDLR-STQMWFEESA-N 1 0 336.392 1.676 20 5 EDBDRO CN(CC(=O)NCC1(C)CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000272482321 140465288 /nfs/dbraw/zinc/46/52/88/140465288.db2.gz BFAMCRQLAPXDIV-UHFFFAOYSA-N 1 0 334.420 1.879 20 5 EDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000332057091 141116156 /nfs/dbraw/zinc/11/61/56/141116156.db2.gz PATKBMNFKKUTBQ-HUUCEWRRSA-N 1 0 339.417 1.641 20 5 EDBDRO COc1cc(C(=O)NCC[N@H+](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000338428732 141808411 /nfs/dbraw/zinc/80/84/11/141808411.db2.gz YBJDWGKOOGVKOA-UHFFFAOYSA-N 1 0 325.365 1.682 20 5 EDBDRO CCNC(=O)[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000339320966 142013981 /nfs/dbraw/zinc/01/39/81/142013981.db2.gz IDMYMJOCNHJGRD-OAHLLOKOSA-N 1 0 339.392 1.733 20 5 EDBDRO Cn1nccc1[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000343450002 142846535 /nfs/dbraw/zinc/84/65/35/142846535.db2.gz RFVGSCSVMUFDJI-BBRMVZONSA-N 1 0 347.350 1.577 20 5 EDBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H](C)C1 ZINC000346157636 143173485 /nfs/dbraw/zinc/17/34/85/143173485.db2.gz CETYCOSWEFSVFC-HUBLWGQQSA-N 1 0 332.404 1.979 20 5 EDBDRO Cc1ncc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(=O)[nH]1 ZINC000346333083 143192965 /nfs/dbraw/zinc/19/29/65/143192965.db2.gz RHVOLQYVMWDTKU-SNVBAGLBSA-N 1 0 345.359 1.906 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](F)C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000346414867 143202290 /nfs/dbraw/zinc/20/22/90/143202290.db2.gz PPFVOQARVDFYSL-RYUDHWBXSA-N 1 0 325.340 1.637 20 5 EDBDRO COc1cccc(C(=O)N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)c1[N+](=O)[O-] ZINC000346705218 143235208 /nfs/dbraw/zinc/23/52/08/143235208.db2.gz KGSDUMYNWCUGMT-RYUDHWBXSA-N 1 0 337.376 1.395 20 5 EDBDRO CO[C@@H]1C[C@@H](CN(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[N@H+](C)C1 ZINC000346708078 143235598 /nfs/dbraw/zinc/23/55/98/143235598.db2.gz QKYDLCXKZYLOGI-NWDGAFQWSA-N 1 0 347.375 1.262 20 5 EDBDRO C[C@@H]1C[C@@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000347094385 143282144 /nfs/dbraw/zinc/28/21/44/143282144.db2.gz PPUDMMWDOUYBMN-OCCSQVGLSA-N 1 0 341.433 1.539 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC[NH+](C)C)C1CC1 ZINC000347412144 143318250 /nfs/dbraw/zinc/31/82/50/143318250.db2.gz GQMXJNZTIZNPCY-UHFFFAOYSA-N 1 0 327.406 1.618 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)NC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000416507972 304326763 /nfs/dbraw/zinc/32/67/63/304326763.db2.gz MVHZASZHJXLJHG-UHFFFAOYSA-N 1 0 349.384 1.361 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CSC[C@H]1C ZINC000352818011 149180129 /nfs/dbraw/zinc/18/01/29/149180129.db2.gz SGYZNHTWUCNXNF-SKDRFNHKSA-N 1 0 325.390 1.883 20 5 EDBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000353129038 149297312 /nfs/dbraw/zinc/29/73/12/149297312.db2.gz MFKWREKCZRLBEX-GJZGRUSLSA-N 1 0 338.360 1.745 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000353211488 149326095 /nfs/dbraw/zinc/32/60/95/149326095.db2.gz UFBQKZAWOGKMRM-VCGICTTQSA-N 1 0 344.389 1.003 20 5 EDBDRO COC(=O)c1cn([C@@H]2CC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000355029927 150082346 /nfs/dbraw/zinc/08/23/46/150082346.db2.gz CDSVSNGKMSGHEL-BXUZGUMPSA-N 1 0 345.359 1.981 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)cc1[N+](=O)[O-] ZINC000355048866 150092415 /nfs/dbraw/zinc/09/24/15/150092415.db2.gz FUXQAJYMCROPDX-FZMZJTMJSA-N 1 0 338.360 1.349 20 5 EDBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2n2cc(CO)nn2)cc1 ZINC000355287096 150199790 /nfs/dbraw/zinc/19/97/90/150199790.db2.gz IFGNMWOQMZGUSH-SJORKVTESA-N 1 0 345.403 1.995 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000355440983 150269683 /nfs/dbraw/zinc/26/96/83/150269683.db2.gz INNGBMDDPSZLFA-INIZCTEOSA-N 1 0 333.388 1.922 20 5 EDBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000355749814 150385339 /nfs/dbraw/zinc/38/53/39/150385339.db2.gz SXENBDASTGDNEW-NWDGAFQWSA-N 1 0 327.406 1.656 20 5 EDBDRO O=C([C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1)N1CCCCCC1 ZINC000370031145 155290894 /nfs/dbraw/zinc/29/08/94/155290894.db2.gz YQFKBJWWZQHOAV-HNNXBMFYSA-N 1 0 349.435 1.906 20 5 EDBDRO Cc1noc(CCC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000357723287 151126597 /nfs/dbraw/zinc/12/65/97/151126597.db2.gz BGFCMYSJAIXKIW-LBPRGKRZSA-N 1 0 332.364 1.800 20 5 EDBDRO CC1(CO)CC[NH+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000358051129 151247621 /nfs/dbraw/zinc/24/76/21/151247621.db2.gz RABUCPMPUVOORG-UHFFFAOYSA-N 1 0 349.387 1.987 20 5 EDBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358061739 151252797 /nfs/dbraw/zinc/25/27/97/151252797.db2.gz HCQYRFXRGCARDX-ABAIWWIYSA-N 1 0 339.417 1.258 20 5 EDBDRO CSc1ccc(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358067454 151255501 /nfs/dbraw/zinc/25/55/01/151255501.db2.gz PRQNEUFDDALACZ-AWEZNQCLSA-N 1 0 325.390 1.113 20 5 EDBDRO COCCC[N@H+](C)CCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000360653445 152139824 /nfs/dbraw/zinc/13/98/24/152139824.db2.gz PQQMLLKGIODYBI-UHFFFAOYSA-N 1 0 345.421 1.150 20 5 EDBDRO CNc1c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000360936896 152258073 /nfs/dbraw/zinc/25/80/73/152258073.db2.gz HOGPUYYDCDRJHF-ZDUSSCGKSA-N 1 0 348.403 1.431 20 5 EDBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000361059939 152292015 /nfs/dbraw/zinc/29/20/15/152292015.db2.gz JZJHAACJUPAXMR-AWEZNQCLSA-N 1 0 338.360 1.492 20 5 EDBDRO NS(=O)(=O)[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000363775207 153053201 /nfs/dbraw/zinc/05/32/01/153053201.db2.gz IPWFHYHJVXTZGQ-CQSZACIVSA-N 1 0 343.405 1.117 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000363930246 153099512 /nfs/dbraw/zinc/09/95/12/153099512.db2.gz QMQFBWXRXRXUGU-BXUZGUMPSA-N 1 0 325.390 1.310 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000364254129 153187113 /nfs/dbraw/zinc/18/71/13/153187113.db2.gz HLIWJLWQUWRDBQ-LSDHHAIUSA-N 1 0 339.417 1.795 20 5 EDBDRO COc1ccc(CNC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000417198242 304383908 /nfs/dbraw/zinc/38/39/08/304383908.db2.gz QURRCYOXPVIPNO-YPMHNXCESA-N 1 0 336.392 1.730 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000367374107 154092848 /nfs/dbraw/zinc/09/28/48/154092848.db2.gz FQDXKBDZYNJWJL-JQWIXIFHSA-N 1 0 329.759 1.949 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000368638027 154649732 /nfs/dbraw/zinc/64/97/32/154649732.db2.gz ZVPMRERZCPYOOA-ZDUSSCGKSA-N 1 0 341.389 1.024 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000370630269 155586548 /nfs/dbraw/zinc/58/65/48/155586548.db2.gz GIZPQZVBKIJCBS-CABCVRRESA-N 1 0 339.417 1.795 20 5 EDBDRO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000371711881 156074469 /nfs/dbraw/zinc/07/44/69/156074469.db2.gz WUBTZEXDYYBECT-NQNKBUKLSA-N 1 0 329.400 1.678 20 5 EDBDRO CN(C(=O)C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000372159122 156249183 /nfs/dbraw/zinc/24/91/83/156249183.db2.gz XRFGZJKNLXMKHX-UONOGXRCSA-N 1 0 333.388 1.916 20 5 EDBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000373052059 156656887 /nfs/dbraw/zinc/65/68/87/156656887.db2.gz AVJJKKOEMSTEPX-JSGCOSHPSA-N 1 0 325.390 1.108 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN[C@H](c2ccncc2)C1 ZINC000374392557 157273260 /nfs/dbraw/zinc/27/32/60/157273260.db2.gz YTZSDCZPBHVXCA-INIZCTEOSA-N 1 0 342.355 1.542 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000374420175 157285125 /nfs/dbraw/zinc/28/51/25/157285125.db2.gz KDLHYZJDWBFGQB-DJIMGWMZSA-N 1 0 347.415 1.847 20 5 EDBDRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000337286841 286619089 /nfs/dbraw/zinc/61/90/89/286619089.db2.gz MPIZWSTWITVARB-MNOVXSKESA-N 1 0 333.435 1.464 20 5 EDBDRO CN(CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000374625700 157349585 /nfs/dbraw/zinc/34/95/85/157349585.db2.gz CHMVNKHAXAXIDB-MJBXVCDLSA-N 1 0 332.404 1.617 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000575399461 306669183 /nfs/dbraw/zinc/66/91/83/306669183.db2.gz APACKRFOLXPUCM-WDEREUQCSA-N 1 0 335.360 1.565 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000375301459 157541607 /nfs/dbraw/zinc/54/16/07/157541607.db2.gz GOAOAEXURLFEGD-PBHICJAKSA-N 1 0 346.387 1.489 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000377739685 157982284 /nfs/dbraw/zinc/98/22/84/157982284.db2.gz STHXBPAVRVMCJW-JQWIXIFHSA-N 1 0 334.332 1.493 20 5 EDBDRO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000378189144 158104352 /nfs/dbraw/zinc/10/43/52/158104352.db2.gz WZSJPCXVBJQXIO-UHFFFAOYSA-N 1 0 342.355 1.195 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000378399368 158163845 /nfs/dbraw/zinc/16/38/45/158163845.db2.gz FRFPUJFYKFPLTQ-GFCCVEGCSA-N 1 0 335.408 1.855 20 5 EDBDRO Cc1c(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000365185036 162353302 /nfs/dbraw/zinc/35/33/02/162353302.db2.gz MLJVCIPTJNZGOY-CHWSQXEVSA-N 1 0 334.376 1.888 20 5 EDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418081221 304455595 /nfs/dbraw/zinc/45/55/95/304455595.db2.gz FPUFHGNQSOJSAF-JTQLQIEISA-N 1 0 334.380 1.644 20 5 EDBDRO CO[C@H]1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000418225976 304466868 /nfs/dbraw/zinc/46/68/68/304466868.db2.gz ANVLYUABBVAPMS-GLQYFDAESA-N 1 0 336.392 1.804 20 5 EDBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000160241868 225368860 /nfs/dbraw/zinc/36/88/60/225368860.db2.gz GXUKZQVALDRGIV-AAEUAGOBSA-N 1 0 328.376 1.899 20 5 EDBDRO [NH3+]C1CCC(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000418379582 304488585 /nfs/dbraw/zinc/48/85/85/304488585.db2.gz DKNCWUBGCBPSOG-UHFFFAOYSA-N 1 0 347.419 1.696 20 5 EDBDRO Cc1c(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000122422670 222083883 /nfs/dbraw/zinc/08/38/83/222083883.db2.gz PPNMSTDLDIYYMW-LBPRGKRZSA-N 1 0 348.403 1.690 20 5 EDBDRO CC[N@H+](C)Cc1cccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000194128875 273000583 /nfs/dbraw/zinc/00/05/83/273000583.db2.gz POLYDKUJIGGRTD-UHFFFAOYSA-N 1 0 331.376 1.559 20 5 EDBDRO C[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@@H]1C[NH3+] ZINC000237637368 273011492 /nfs/dbraw/zinc/01/14/92/273011492.db2.gz CJDIJDQXGAAKJS-ZUZCIYMTSA-N 1 0 344.371 1.636 20 5 EDBDRO Cn1cc(C(=O)NC2CCC([NH3+])CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237883330 273013463 /nfs/dbraw/zinc/01/34/63/273013463.db2.gz YFBZJKSJRFKSIQ-UHFFFAOYSA-N 1 0 343.387 1.995 20 5 EDBDRO [NH3+]CC1(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCC1 ZINC000238046947 273013972 /nfs/dbraw/zinc/01/39/72/273013972.db2.gz BRSJBIHKCXXLKY-GFCCVEGCSA-N 1 0 333.392 1.522 20 5 EDBDRO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273719419 268077143 /nfs/dbraw/zinc/07/71/43/268077143.db2.gz RJSYCIOIADNFMK-LBPRGKRZSA-N 1 0 327.406 1.308 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000273722159 268078405 /nfs/dbraw/zinc/07/84/05/268078405.db2.gz GTMJUHOUMFUGAF-AWEZNQCLSA-N 1 0 339.417 1.844 20 5 EDBDRO CCOC(=O)C[C@](C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000274836469 268219132 /nfs/dbraw/zinc/21/91/32/268219132.db2.gz GTJARLDADFDFGU-ZFWWWQNUSA-N 1 0 342.396 1.110 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CCO1 ZINC000274843649 268220588 /nfs/dbraw/zinc/22/05/88/268220588.db2.gz XCWBAVQBZRSRKK-CQSZACIVSA-N 1 0 348.403 1.385 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000274541316 273094499 /nfs/dbraw/zinc/09/44/99/273094499.db2.gz VZVNEBMXAGDANB-CQSZACIVSA-N 1 0 349.387 1.984 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000277137230 273182957 /nfs/dbraw/zinc/18/29/57/273182957.db2.gz ZNFHBWJVFJAPFC-LBPRGKRZSA-N 1 0 329.422 1.830 20 5 EDBDRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278902457 273269316 /nfs/dbraw/zinc/26/93/16/273269316.db2.gz ZNBKNSINGFHYLD-SJORKVTESA-N 1 0 346.431 1.902 20 5 EDBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1([S@@](C)=O)CC1 ZINC000282485930 273661416 /nfs/dbraw/zinc/66/14/16/273661416.db2.gz XFUFKZKSPFCSOG-BSNNYGBQSA-N 1 0 339.417 1.813 20 5 EDBDRO O=C(C[NH2+][C@H]1CCC(=O)NC12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000282839140 273726025 /nfs/dbraw/zinc/72/60/25/273726025.db2.gz RIGUAFPJJAHVPJ-ZDUSSCGKSA-N 1 0 332.360 1.324 20 5 EDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000345873703 273952322 /nfs/dbraw/zinc/95/23/22/273952322.db2.gz IFADKNSPOQVJQY-GDLCADMTSA-N 1 0 334.376 1.426 20 5 EDBDRO CO[C@@H]1C[C@@H](CN(C)c2ncnc3sc([N+](=O)[O-])cc32)[N@H+](C)C1 ZINC000343308380 274069235 /nfs/dbraw/zinc/06/92/35/274069235.db2.gz YKMFHAVTOZTPLF-VHSXEESVSA-N 1 0 337.405 1.755 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c1 ZINC000450892591 274118442 /nfs/dbraw/zinc/11/84/42/274118442.db2.gz PAQNNMKEGOGTNR-CYBMUJFWSA-N 1 0 348.403 1.394 20 5 EDBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000249255596 274218163 /nfs/dbraw/zinc/21/81/63/274218163.db2.gz YLFPRANSCZZFQN-OLZOCXBDSA-N 1 0 341.433 1.994 20 5 EDBDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000363875497 274352694 /nfs/dbraw/zinc/35/26/94/274352694.db2.gz ZTDNLUSGJLPPFV-YUELXQCFSA-N 1 0 348.403 1.609 20 5 EDBDRO CO[C@H]1C[C@@H](CN(C)CC(=O)Nc2ccccc2[N+](=O)[O-])[N@H+](C)C1 ZINC000284841642 274354811 /nfs/dbraw/zinc/35/48/11/274354811.db2.gz OGHYIOSTAXWRRI-STQMWFEESA-N 1 0 336.392 1.184 20 5 EDBDRO C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000373865484 274362167 /nfs/dbraw/zinc/36/21/67/274362167.db2.gz JCNJTFXOLKMWGQ-HIFRSBDPSA-N 1 0 333.436 1.639 20 5 EDBDRO C[C@H]1CN(c2ccc(I)cc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000261541046 274593947 /nfs/dbraw/zinc/59/39/47/274593947.db2.gz IYDWEJUKPBTCJR-IONNQARKSA-N 1 0 347.156 1.983 20 5 EDBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3c(Br)cncc3[N+](=O)[O-])C[C@@H]12 ZINC000261583231 274958998 /nfs/dbraw/zinc/95/89/98/274958998.db2.gz HCQWMWBKJJVEJS-NQMVMOMDSA-N 1 0 327.182 1.926 20 5 EDBDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000495544353 276283364 /nfs/dbraw/zinc/28/33/64/276283364.db2.gz UVWKAMZYSCCJHV-RYUDHWBXSA-N 1 0 339.396 1.675 20 5 EDBDRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178644521 276389899 /nfs/dbraw/zinc/38/98/99/276389899.db2.gz KROGWEBBLNQAPD-LBPRGKRZSA-N 1 0 329.422 1.917 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000420417179 276673703 /nfs/dbraw/zinc/67/37/03/276673703.db2.gz DMGOGONGSWWQCR-RISCZKNCSA-N 1 0 341.433 1.905 20 5 EDBDRO C[N@@H+]1CC[C@@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000109848230 277134255 /nfs/dbraw/zinc/13/42/55/277134255.db2.gz GLXZLUZNCOYPPA-AWEZNQCLSA-N 1 0 346.431 1.879 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000368591208 277143497 /nfs/dbraw/zinc/14/34/97/277143497.db2.gz MCHPRDOJBZICHJ-YGRLFVJLSA-N 1 0 334.332 1.669 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000355206848 277216420 /nfs/dbraw/zinc/21/64/20/277216420.db2.gz CBRKURPCSWZUNL-UHFFFAOYSA-N 1 0 335.364 1.121 20 5 EDBDRO CO[C@H]1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000359050687 277743391 /nfs/dbraw/zinc/74/33/91/277743391.db2.gz DTKUBBFBVLQQJD-STQMWFEESA-N 1 0 336.392 1.280 20 5 EDBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000286324579 287982615 /nfs/dbraw/zinc/98/26/15/287982615.db2.gz JLOCFXNLBDIFNV-HOTGVXAUSA-N 1 0 347.415 1.849 20 5 EDBDRO Cc1cccc(C(=O)N2CCCN(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000363333765 278910288 /nfs/dbraw/zinc/91/02/88/278910288.db2.gz OFYDOBJLGCOWKY-UHFFFAOYSA-N 1 0 334.420 1.613 20 5 EDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000370672010 280364964 /nfs/dbraw/zinc/36/49/64/280364964.db2.gz APHSJIUMDCQUTG-UWVGGRQHSA-N 1 0 345.808 1.478 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000261853162 281261972 /nfs/dbraw/zinc/26/19/72/281261972.db2.gz DTNFRZSGZPEHKR-GXFFZTMASA-N 1 0 327.406 1.651 20 5 EDBDRO Cn1cc(C[NH2+]CC(C)(C)OCCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000288465091 288492252 /nfs/dbraw/zinc/49/22/52/288492252.db2.gz OKEMDTFYVRVOFL-UHFFFAOYSA-N 1 0 348.403 1.872 20 5 EDBDRO [NH3+][C@H]1CCc2nc(NC(=O)CCn3cc([N+](=O)[O-])cn3)sc2C1 ZINC000288595649 288523790 /nfs/dbraw/zinc/52/37/90/288523790.db2.gz KCRZYOQFXJMBIQ-QMMMGPOBSA-N 1 0 336.377 1.093 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000290311735 288877002 /nfs/dbraw/zinc/87/70/02/288877002.db2.gz FXKXQKVMBHOCOI-RISCZKNCSA-N 1 0 347.371 1.453 20 5 EDBDRO CNS(=O)(=O)NC1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000291247589 289024968 /nfs/dbraw/zinc/02/49/68/289024968.db2.gz VOFURYJBRIIEHH-NSHDSACASA-N 1 0 342.421 1.174 20 5 EDBDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000291761769 289173569 /nfs/dbraw/zinc/17/35/69/289173569.db2.gz LRDRHNXYNOKVNS-QMTHXVAHSA-N 1 0 340.355 1.653 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000291855257 289197745 /nfs/dbraw/zinc/19/77/45/289197745.db2.gz IFXSOYJCXSGLTM-OAHLLOKOSA-N 1 0 339.417 1.620 20 5 EDBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000291868297 289201512 /nfs/dbraw/zinc/20/15/12/289201512.db2.gz KTLKFAHSCLKUCS-LLVKDONJSA-N 1 0 327.356 1.958 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000292564593 289382794 /nfs/dbraw/zinc/38/27/94/289382794.db2.gz UFDYLNJFDJMHBP-IINYFYTJSA-N 1 0 333.344 1.205 20 5 EDBDRO CCNC(=O)[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000293197823 289547547 /nfs/dbraw/zinc/54/75/47/289547547.db2.gz IKPYWBWYMYXDFL-INIZCTEOSA-N 1 0 348.403 1.234 20 5 EDBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000420248255 295226466 /nfs/dbraw/zinc/22/64/66/295226466.db2.gz QGKGFBNRUPCBKC-LLVKDONJSA-N 1 0 341.799 1.467 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422017301 447309951 /nfs/dbraw/zinc/30/99/51/447309951.db2.gz HRQHDECJHWCGLW-SWLSCSKDSA-N 1 0 348.403 1.266 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248652905 302046327 /nfs/dbraw/zinc/04/63/27/302046327.db2.gz VKOHTXWJSUMIHR-SDDRHHMPSA-N 1 0 325.390 1.261 20 5 EDBDRO COc1cc(C(=O)NCCC[NH+]2CCCC2)c([N+](=O)[O-])cc1F ZINC000294491861 303115444 /nfs/dbraw/zinc/11/54/44/303115444.db2.gz RLYDCAUXSHAKIK-UHFFFAOYSA-N 1 0 325.340 1.958 20 5 EDBDRO C[C@@]1(F)CNCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000295333541 303206053 /nfs/dbraw/zinc/20/60/53/303206053.db2.gz XSYYSCWKBXKFJH-MRXNPFEDSA-N 1 0 336.367 1.943 20 5 EDBDRO NC(=O)c1cccc(C[N@H+](CCn2cc([N+](=O)[O-])cn2)C2CC2)c1 ZINC000296985238 303351836 /nfs/dbraw/zinc/35/18/36/303351836.db2.gz ZGWURHLDQHQILZ-UHFFFAOYSA-N 1 0 329.360 1.555 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)n1 ZINC000297220440 303374771 /nfs/dbraw/zinc/37/47/71/303374771.db2.gz NZIJIVLDTREEPH-QWHCGFSZSA-N 1 0 347.350 1.424 20 5 EDBDRO CCCc1n[nH]c(C(=O)NCc2ccc3c[nH+]cn3c2)c1[N+](=O)[O-] ZINC000297235016 303376718 /nfs/dbraw/zinc/37/67/18/303376718.db2.gz NNVPLXHJXYNNMA-UHFFFAOYSA-N 1 0 328.332 1.848 20 5 EDBDRO O=C(NC1CC1)c1ccc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000420255833 303731325 /nfs/dbraw/zinc/73/13/25/303731325.db2.gz GLCWCJCMRXSGGC-JSGCOSHPSA-N 1 0 330.388 1.675 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422550642 304872041 /nfs/dbraw/zinc/87/20/41/304872041.db2.gz BOWMRVRTNVHSKT-UHFFFAOYSA-N 1 0 341.389 1.120 20 5 EDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCCn1c2ccc([N+](=O)[O-])cc2oc1=O ZINC000423633351 304902591 /nfs/dbraw/zinc/90/25/91/304902591.db2.gz AZSXTGVUXFOAMU-JQWIXIFHSA-N 1 0 348.359 1.231 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC1CCC([NH3+])CC1 ZINC000428972469 305021272 /nfs/dbraw/zinc/02/12/72/305021272.db2.gz FTJQYFFZROKQKD-HTAVTVPLSA-N 1 0 338.412 1.213 20 5 EDBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C(C)C ZINC000429399715 305029852 /nfs/dbraw/zinc/02/98/52/305029852.db2.gz NLHPLULPUGNNLB-ZFWWWQNUSA-N 1 0 349.387 1.713 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000429396679 305029934 /nfs/dbraw/zinc/02/99/34/305029934.db2.gz GNINFTTZQDTLGO-JFGNBEQYSA-N 1 0 338.412 1.036 20 5 EDBDRO COc1ccc(NC(=O)CN2CCCC[C@@H]2[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000430619556 305059332 /nfs/dbraw/zinc/05/93/32/305059332.db2.gz GIZIVBYGOQBMJM-SMDDNHRTSA-N 1 0 336.392 1.744 20 5 EDBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000430723955 305063313 /nfs/dbraw/zinc/06/33/13/305063313.db2.gz UBVMNSNZEFKSAY-CYBMUJFWSA-N 1 0 331.376 1.979 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000430925473 305068508 /nfs/dbraw/zinc/06/85/08/305068508.db2.gz LTGSDDBZASGQAO-LBPRGKRZSA-N 1 0 334.376 1.434 20 5 EDBDRO CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CC[NH2+]C1 ZINC000430964989 305071550 /nfs/dbraw/zinc/07/15/50/305071550.db2.gz HECKWISBMOKDJI-CYBMUJFWSA-N 1 0 336.392 1.616 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000434710855 305129197 /nfs/dbraw/zinc/12/91/97/305129197.db2.gz KLFVPJKNBGMMEZ-DLOVCJGASA-N 1 0 338.412 1.084 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+][C@H](C)[C@H]1C ZINC000436057663 305151585 /nfs/dbraw/zinc/15/15/85/305151585.db2.gz WFIIVVPFXPMJSY-VXGBXAGGSA-N 1 0 336.392 1.614 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000440438512 305206795 /nfs/dbraw/zinc/20/67/95/305206795.db2.gz CNNZRQBASCMMFM-LLVKDONJSA-N 1 0 345.808 1.763 20 5 EDBDRO COc1cc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000440446555 305207049 /nfs/dbraw/zinc/20/70/49/305207049.db2.gz RDNVWTRRDQSUTN-LLVKDONJSA-N 1 0 341.389 1.118 20 5 EDBDRO COc1c(F)cc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000440856347 305213430 /nfs/dbraw/zinc/21/34/30/305213430.db2.gz HBPCUWPHMDPBTP-RKDXNWHRSA-N 1 0 347.368 1.291 20 5 EDBDRO Cn1c(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000443805934 305241616 /nfs/dbraw/zinc/24/16/16/305241616.db2.gz NGQBPVAMRCQUOA-CYBMUJFWSA-N 1 0 336.392 1.260 20 5 EDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCN2CCOCC2)n1 ZINC000447513046 305280982 /nfs/dbraw/zinc/28/09/82/305280982.db2.gz SHNZZIBEBUVTSO-GJZGRUSLSA-N 1 0 337.424 1.587 20 5 EDBDRO COCC[N@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447526178 305281404 /nfs/dbraw/zinc/28/14/04/305281404.db2.gz BUFVXWXIYQPLNR-GJZGRUSLSA-N 1 0 339.440 1.833 20 5 EDBDRO CCOC1CC(O)(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447557232 305282148 /nfs/dbraw/zinc/28/21/48/305282148.db2.gz JECXDVLQZMGMNJ-IQXANGCESA-N 1 0 338.408 1.795 20 5 EDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO)[NH+](C)C ZINC000448680537 305301301 /nfs/dbraw/zinc/30/13/01/305301301.db2.gz IRRYPEWFOIFOSF-SNVBAGLBSA-N 1 0 327.406 1.359 20 5 EDBDRO CCN(CC)S(=O)(=O)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449139712 305307599 /nfs/dbraw/zinc/30/75/99/305307599.db2.gz BBFDHNOOJJBCBG-ZDUSSCGKSA-N 1 0 343.449 1.787 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000449698555 305317386 /nfs/dbraw/zinc/31/73/86/305317386.db2.gz NGVWNBFIEZOJOR-INIZCTEOSA-N 1 0 346.431 1.690 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000449699237 305317445 /nfs/dbraw/zinc/31/74/45/305317445.db2.gz PNMZLWRRSJLLSU-FZMZJTMJSA-N 1 0 348.403 1.217 20 5 EDBDRO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CC[NH+]2CCC1CC2 ZINC000451286127 305336380 /nfs/dbraw/zinc/33/63/80/305336380.db2.gz NDHNTEHCNKHRFE-UHFFFAOYSA-N 1 0 341.371 1.905 20 5 EDBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2C[C@@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451499644 305349761 /nfs/dbraw/zinc/34/97/61/305349761.db2.gz NQMNLNGAIDZNJO-ZIAGYGMSSA-N 1 0 337.376 1.945 20 5 EDBDRO COCCOC[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545999 305352568 /nfs/dbraw/zinc/35/25/68/305352568.db2.gz IMKDOBWDHJZCDW-WBVHZDCISA-N 1 0 338.404 1.798 20 5 EDBDRO CC(C)[C@H](CO)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000451620040 305356576 /nfs/dbraw/zinc/35/65/76/305356576.db2.gz ZDUBAHVTMDXCRE-KKUMJFAQSA-N 1 0 328.413 1.031 20 5 EDBDRO CN(C)C(=O)N[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000451992744 305376885 /nfs/dbraw/zinc/37/68/85/305376885.db2.gz MJWSBXSZOSRTEZ-ZDUSSCGKSA-N 1 0 336.392 1.709 20 5 EDBDRO COc1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1[N+](=O)[O-] ZINC000452349256 305391350 /nfs/dbraw/zinc/39/13/50/305391350.db2.gz BIBPKMRDLMYLCQ-LBPRGKRZSA-N 1 0 337.376 1.180 20 5 EDBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)Cn3cc([N+](=O)[O-])cn3)ccc21 ZINC000456280046 447354019 /nfs/dbraw/zinc/35/40/19/447354019.db2.gz QCMKTZKBQILSSB-HNNXBMFYSA-N 1 0 329.360 1.979 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000536020984 306019174 /nfs/dbraw/zinc/01/91/74/306019174.db2.gz VKCNBDXMTRIKGR-OAHLLOKOSA-N 1 0 328.372 1.893 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000449691561 447386638 /nfs/dbraw/zinc/38/66/38/447386638.db2.gz WYTUWQRATRGHCS-ZDUSSCGKSA-N 1 0 333.388 1.731 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1OC ZINC000449721931 447391511 /nfs/dbraw/zinc/39/15/11/447391511.db2.gz UXCKOZVCTWFHRL-QWRGUYRKSA-N 1 0 337.376 1.859 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000493812654 447401258 /nfs/dbraw/zinc/40/12/58/447401258.db2.gz CCAFGWNUZXWUED-IYKSTZQJSA-N 1 0 345.399 1.822 20 5 EDBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000046947899 441139646 /nfs/dbraw/zinc/13/96/46/441139646.db2.gz HNAIKTHKVMHKFK-GFCCVEGCSA-N 1 0 335.408 1.054 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000104748715 441203874 /nfs/dbraw/zinc/20/38/74/441203874.db2.gz NWPQXLMZRSXYIE-GFCCVEGCSA-N 1 0 327.406 1.475 20 5 EDBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)C[NH+]1CCN(C)CC1 ZINC000074137636 441398383 /nfs/dbraw/zinc/39/83/83/441398383.db2.gz QEWMJSMBNXQWQM-AWEZNQCLSA-N 1 0 334.420 1.137 20 5 EDBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)CC1 ZINC000106800119 441372764 /nfs/dbraw/zinc/37/27/64/441372764.db2.gz QJJKWOVCBNDELR-MRXNPFEDSA-N 1 0 346.431 1.755 20 5 EDBDRO COc1cc(C(=O)NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000029090038 441444795 /nfs/dbraw/zinc/44/47/95/441444795.db2.gz GHFSWADIGACYSL-UHFFFAOYSA-N 1 0 349.387 1.969 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108618568 441470689 /nfs/dbraw/zinc/47/06/89/441470689.db2.gz BKYAWEOWVPWDMA-ZDUSSCGKSA-N 1 0 346.387 1.442 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000065901181 441492683 /nfs/dbraw/zinc/49/26/83/441492683.db2.gz YAUJBXCDWRXCSB-HNNXBMFYSA-N 1 0 345.403 1.827 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000030496602 441494751 /nfs/dbraw/zinc/49/47/51/441494751.db2.gz BYDZCOAJZRFADO-UHFFFAOYSA-N 1 0 348.384 1.501 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(NCCCC[NH+]2CCN(CCO)CC2)c1 ZINC000088723268 441517887 /nfs/dbraw/zinc/51/78/87/441517887.db2.gz IRNUXHFUFDRPOI-UHFFFAOYSA-N 1 0 336.436 1.705 20 5 EDBDRO Nc1cc(N)[nH+]c(SCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)n1 ZINC000031355804 441522484 /nfs/dbraw/zinc/52/24/84/441522484.db2.gz LJTXJBNPMQPLNX-UHFFFAOYSA-N 1 0 346.372 1.231 20 5 EDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](CC2CC2)CC1 ZINC000053237265 441506762 /nfs/dbraw/zinc/50/67/62/441506762.db2.gz MPKZQYPKAZSNAL-ZDUSSCGKSA-N 1 0 332.404 1.949 20 5 EDBDRO COC[C@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000112991332 441575453 /nfs/dbraw/zinc/57/54/53/441575453.db2.gz KDFYWYWFOAZNNW-ZDUSSCGKSA-N 1 0 333.388 1.842 20 5 EDBDRO Cn1cc(C(=O)NCC[N@H+](C)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000066923892 441588914 /nfs/dbraw/zinc/58/89/14/441588914.db2.gz DTKZURSJRWPRFT-UHFFFAOYSA-N 1 0 343.387 1.819 20 5 EDBDRO Cc1cccc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000114141029 441637253 /nfs/dbraw/zinc/63/72/53/441637253.db2.gz VGJRHJZVJBPOIK-ZDUSSCGKSA-N 1 0 334.420 1.517 20 5 EDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000114147945 441637957 /nfs/dbraw/zinc/63/79/57/441637957.db2.gz LAUIIEWPUZOMML-ZDUSSCGKSA-N 1 0 343.387 1.804 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000041668574 441667547 /nfs/dbraw/zinc/66/75/47/441667547.db2.gz MKEBCNIGELFGMG-GFCCVEGCSA-N 1 0 348.403 1.690 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000115586301 441762183 /nfs/dbraw/zinc/76/21/83/441762183.db2.gz QENSFRIYAKZJLJ-ZDUSSCGKSA-N 1 0 341.433 1.866 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115585755 441762575 /nfs/dbraw/zinc/76/25/75/441762575.db2.gz PNVMONBPUBOSSN-CYBMUJFWSA-N 1 0 341.433 1.866 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000173718376 441829203 /nfs/dbraw/zinc/82/92/03/441829203.db2.gz WRHPTYOLYQPFAL-AWEZNQCLSA-N 1 0 334.420 1.517 20 5 EDBDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000160800208 441922672 /nfs/dbraw/zinc/92/26/72/441922672.db2.gz SBKNBERNXRXLFW-GXSJLCMTSA-N 1 0 327.768 1.836 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000069129456 441896797 /nfs/dbraw/zinc/89/67/97/441896797.db2.gz DLSLCYKJTGCAMN-NSHDSACASA-N 1 0 327.406 1.664 20 5 EDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000120112177 442010106 /nfs/dbraw/zinc/01/01/06/442010106.db2.gz XXTMTCRZDSOBEG-LBPRGKRZSA-N 1 0 331.380 1.597 20 5 EDBDRO CC(C)[C@@H](CCO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000161928335 442045891 /nfs/dbraw/zinc/04/58/91/442045891.db2.gz JNYWKEHPHJAEFZ-CQSZACIVSA-N 1 0 330.406 1.365 20 5 EDBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000120517784 442087438 /nfs/dbraw/zinc/08/74/38/442087438.db2.gz QHLJRRPJNJEQLY-NWDGAFQWSA-N 1 0 328.390 1.383 20 5 EDBDRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000120756878 442127710 /nfs/dbraw/zinc/12/77/10/442127710.db2.gz YUFFPRZDFMWREZ-YPMHNXCESA-N 1 0 334.376 1.474 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000163028037 442139221 /nfs/dbraw/zinc/13/92/21/442139221.db2.gz OGBGQRCWZZUMHG-LBPRGKRZSA-N 1 0 335.339 1.500 20 5 EDBDRO CCC[C@@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)CC[N@@H+]1CCOC ZINC000162502258 442098213 /nfs/dbraw/zinc/09/82/13/442098213.db2.gz ZPRWJRHHULVSFO-CYBMUJFWSA-N 1 0 325.413 1.574 20 5 EDBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000127243015 442185014 /nfs/dbraw/zinc/18/50/14/442185014.db2.gz SPOSNCJCGUASQR-ZDUSSCGKSA-N 1 0 332.404 1.923 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127361634 442196485 /nfs/dbraw/zinc/19/64/85/442196485.db2.gz VEAMBGIBGUJWIW-CQSZACIVSA-N 1 0 333.388 1.918 20 5 EDBDRO CC[NH+]1CCN(CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000170639541 442239742 /nfs/dbraw/zinc/23/97/42/442239742.db2.gz UJCRGWQDKYUCQJ-UHFFFAOYSA-N 1 0 347.419 1.529 20 5 EDBDRO C[NH+](C)C1CCN(CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000177125091 442300765 /nfs/dbraw/zinc/30/07/65/442300765.db2.gz MGWAPPQRAALALW-UHFFFAOYSA-N 1 0 338.383 1.490 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000177446034 442342647 /nfs/dbraw/zinc/34/26/47/442342647.db2.gz BVFNBNLQNGNRGN-ZFWWWQNUSA-N 1 0 343.387 1.571 20 5 EDBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000171505278 442353453 /nfs/dbraw/zinc/35/34/53/442353453.db2.gz VGKBHRLCDVXKKX-ZDUSSCGKSA-N 1 0 327.406 1.666 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)C1CC1 ZINC000172019907 442400556 /nfs/dbraw/zinc/40/05/56/442400556.db2.gz LWLBVUVTGOWTJV-UHFFFAOYSA-N 1 0 327.406 1.666 20 5 EDBDRO CN1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2c[nH+]ccc21 ZINC000155775910 442425840 /nfs/dbraw/zinc/42/58/40/442425840.db2.gz AVNDGYLNLZQHSS-UHFFFAOYSA-N 1 0 348.384 1.776 20 5 EDBDRO O=C1CCCN1C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000179548860 442473797 /nfs/dbraw/zinc/47/37/97/442473797.db2.gz XBDVHGXWJQNGCD-HNNXBMFYSA-N 1 0 343.387 1.745 20 5 EDBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186523933 442553084 /nfs/dbraw/zinc/55/30/84/442553084.db2.gz ZXXVWVOJGGOZAP-SNVBAGLBSA-N 1 0 329.360 1.828 20 5 EDBDRO CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000156712335 442512162 /nfs/dbraw/zinc/51/21/62/442512162.db2.gz LAZSRGXWPUYSMH-CQSZACIVSA-N 1 0 348.403 1.358 20 5 EDBDRO CC1CC[NH+](CCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000180454710 442604345 /nfs/dbraw/zinc/60/43/45/442604345.db2.gz TVNRMBCCNJDPFE-UHFFFAOYSA-N 1 0 335.360 1.785 20 5 EDBDRO C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000135515436 442605952 /nfs/dbraw/zinc/60/59/52/442605952.db2.gz GBDAOHSHPKFKFW-LLVKDONJSA-N 1 0 329.360 1.495 20 5 EDBDRO C[C@@H](NC(=O)NCC[N@@H+]1CCCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000186981899 442639708 /nfs/dbraw/zinc/63/97/08/442639708.db2.gz YHVXNQAJHZLIGH-CYBMUJFWSA-N 1 0 336.392 1.677 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H](C[NH3+])CC(C)C)c1[N+](=O)[O-] ZINC000193282676 442729047 /nfs/dbraw/zinc/72/90/47/442729047.db2.gz ARPVYVSFRHCAEY-GFCCVEGCSA-N 1 0 329.422 1.863 20 5 EDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000188384687 442745370 /nfs/dbraw/zinc/74/53/70/442745370.db2.gz YLRGUGAWNFRLPS-MRVPVSSYSA-N 1 0 328.166 1.791 20 5 EDBDRO Cc1c(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000193493523 442748324 /nfs/dbraw/zinc/74/83/24/442748324.db2.gz GQBATLGTIHUCKH-QMTHXVAHSA-N 1 0 344.375 1.354 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188732680 442799416 /nfs/dbraw/zinc/79/94/16/442799416.db2.gz CJVWEPVTWDSLKF-ZDUSSCGKSA-N 1 0 335.404 1.820 20 5 EDBDRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193646339 442763438 /nfs/dbraw/zinc/76/34/38/442763438.db2.gz QQLIFLXRWBJPBR-ZDUSSCGKSA-N 1 0 334.376 1.690 20 5 EDBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188810829 442820013 /nfs/dbraw/zinc/82/00/13/442820013.db2.gz UVKPDOJRIPICNO-ZBFHGGJFSA-N 1 0 349.431 1.689 20 5 EDBDRO O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC[NH+]2CCC1CC2 ZINC000188839965 442825164 /nfs/dbraw/zinc/82/51/64/442825164.db2.gz FFTDKCAAKNVSLB-MRXNPFEDSA-N 1 0 344.371 1.394 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c1C ZINC000246979371 442826242 /nfs/dbraw/zinc/82/62/42/442826242.db2.gz VUZLCTJLGXLORB-SMDDNHRTSA-N 1 0 341.433 1.960 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249597594 442993272 /nfs/dbraw/zinc/99/32/72/442993272.db2.gz XGVPARRIUVHVPK-BXUZGUMPSA-N 1 0 337.376 1.635 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000268487512 443006517 /nfs/dbraw/zinc/00/65/17/443006517.db2.gz QMHGRARBVFAZJQ-UHFFFAOYSA-N 1 0 335.404 1.868 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000251437234 443014481 /nfs/dbraw/zinc/01/44/81/443014481.db2.gz CCFBSRPWMYYPMT-AMVTZNPPSA-N 1 0 333.388 1.522 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000268514280 443016615 /nfs/dbraw/zinc/01/66/15/443016615.db2.gz XNDBBAXFSDPORB-SNVBAGLBSA-N 1 0 345.197 1.885 20 5 EDBDRO CC(C)N1CCC[C@H]([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000252649271 443045392 /nfs/dbraw/zinc/04/53/92/443045392.db2.gz RXWRKRXHWXFLJT-HIFRSBDPSA-N 1 0 347.419 1.875 20 5 EDBDRO Cc1nc(NCc2ccnc(OCC[NH+](C)C)c2)ncc1[N+](=O)[O-] ZINC000297446812 318764948 /nfs/dbraw/zinc/76/49/48/318764948.db2.gz JCFAKHNFBHACSL-UHFFFAOYSA-N 1 0 332.364 1.641 20 5 EDBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000254970097 443079823 /nfs/dbraw/zinc/07/98/23/443079823.db2.gz MUWMIUVRZYRRQN-QQNRWZHASA-N 1 0 345.399 1.789 20 5 EDBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000255079851 443084502 /nfs/dbraw/zinc/08/45/02/443084502.db2.gz MTWRZAKSLQZMTF-YIEVGGLXSA-N 1 0 345.399 1.789 20 5 EDBDRO C[C@@H](C[S@](C)=O)N(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000185141349 443146807 /nfs/dbraw/zinc/14/68/07/443146807.db2.gz ZEKPNVTYZHWWOV-SAHAZLINSA-N 1 0 327.406 1.256 20 5 EDBDRO CN(C)S(=O)(=O)c1ccc(N2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261885605 443174014 /nfs/dbraw/zinc/17/40/14/443174014.db2.gz NBMVPHWABWXEGZ-CQSZACIVSA-N 1 0 342.421 1.020 20 5 EDBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[NH2+]C2CC2)cc1SC ZINC000237121240 443159022 /nfs/dbraw/zinc/15/90/22/443159022.db2.gz JDCNMFJGTVFPED-UHFFFAOYSA-N 1 0 325.390 1.807 20 5 EDBDRO CCc1ccc(C(=O)N2CCNC[C@@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000261631555 443162042 /nfs/dbraw/zinc/16/20/42/443162042.db2.gz BDJZXJJXNDRUHY-OAHLLOKOSA-N 1 0 343.387 1.677 20 5 EDBDRO COCC[NH+](CCOC)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266543042 443162648 /nfs/dbraw/zinc/16/26/48/443162648.db2.gz QVWLHROLIURJAL-UHFFFAOYSA-N 1 0 328.365 1.577 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000269207283 443233093 /nfs/dbraw/zinc/23/30/93/443233093.db2.gz MPNLHFCNYNRLLU-GFCCVEGCSA-N 1 0 327.768 1.585 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000185677728 443236996 /nfs/dbraw/zinc/23/69/96/443236996.db2.gz WGIVXWQRCZWEIU-NSHDSACASA-N 1 0 325.390 1.357 20 5 EDBDRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000262737624 443209528 /nfs/dbraw/zinc/20/95/28/443209528.db2.gz AVNFMJGSXLLOBO-WPRPVWTQSA-N 1 0 333.797 1.525 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000262769210 443211456 /nfs/dbraw/zinc/21/14/56/443211456.db2.gz VCCYVFFMSYHZGL-OLZOCXBDSA-N 1 0 339.417 1.727 20 5 EDBDRO CCc1[nH]nc(-c2nc(CC3=[NH+][C@@H]4CCCC[C@@H]4N3)no2)c1[N+](=O)[O-] ZINC000351302500 319099926 /nfs/dbraw/zinc/09/99/26/319099926.db2.gz UOBMRUJFKDPHCY-AOOOYVTPSA-N 1 0 345.363 1.786 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](CC[NH3+])C(F)F)c1C ZINC000383320072 319125237 /nfs/dbraw/zinc/12/52/37/319125237.db2.gz ROKVZRWSEZQZDE-SNVBAGLBSA-N 1 0 337.348 1.472 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1C ZINC000385285872 319128211 /nfs/dbraw/zinc/12/82/11/319128211.db2.gz BEHOBYLNTWQLPG-YPMHNXCESA-N 1 0 325.390 1.194 20 5 EDBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000264425636 443287806 /nfs/dbraw/zinc/28/78/06/443287806.db2.gz AGFGUVPXARHQRY-LLVKDONJSA-N 1 0 335.360 1.438 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000264357370 443261072 /nfs/dbraw/zinc/26/10/72/443261072.db2.gz IQUHGQWEHQEVHB-AWEZNQCLSA-N 1 0 333.388 1.979 20 5 EDBDRO Cc1c(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000269278930 443264077 /nfs/dbraw/zinc/26/40/77/443264077.db2.gz PVVZXTRODVEEEU-HZMBPMFUSA-N 1 0 344.375 1.293 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000278429220 443329364 /nfs/dbraw/zinc/32/93/64/443329364.db2.gz DARDWBZPHPLCPR-AWEZNQCLSA-N 1 0 334.420 1.659 20 5 EDBDRO C[C@H](NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000419132759 319559938 /nfs/dbraw/zinc/55/99/38/319559938.db2.gz FFOPVGKPPDKUEW-STQMWFEESA-N 1 0 348.403 1.278 20 5 EDBDRO Cc1c(C(=O)N(C)CCCN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000264665006 443366426 /nfs/dbraw/zinc/36/64/26/443366426.db2.gz WRTAJJQPRWFCNP-UHFFFAOYSA-N 1 0 334.420 1.613 20 5 EDBDRO COC(=O)CC1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000269623139 443369676 /nfs/dbraw/zinc/36/96/76/443369676.db2.gz BQCPGMSJXFKZAB-CQSZACIVSA-N 1 0 338.360 1.330 20 5 EDBDRO C[C@H]1C[NH+](CCCNc2c(C(N)=O)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000420590126 319628478 /nfs/dbraw/zinc/62/84/78/319628478.db2.gz VEUNJXYTLRNYKW-RYUDHWBXSA-N 1 0 336.392 1.605 20 5 EDBDRO C[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000264751913 443406117 /nfs/dbraw/zinc/40/61/17/443406117.db2.gz RIERIZADHFBWIX-IUODEOHRSA-N 1 0 335.408 1.201 20 5 EDBDRO CN1CC[N@H+](C)C[C@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000264833140 443445222 /nfs/dbraw/zinc/44/52/22/443445222.db2.gz ZUUPAGCZJLAMGB-GFCCVEGCSA-N 1 0 333.392 1.137 20 5 EDBDRO CNC(=O)c1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000267433672 443455953 /nfs/dbraw/zinc/45/59/53/443455953.db2.gz XHUTWIINDWTEDS-CYBMUJFWSA-N 1 0 348.403 1.113 20 5 EDBDRO C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000423037908 319748569 /nfs/dbraw/zinc/74/85/69/319748569.db2.gz NNFDBNPHWGKAKU-FZMZJTMJSA-N 1 0 327.406 1.099 20 5 EDBDRO CC1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]CC1 ZINC000273002626 443515794 /nfs/dbraw/zinc/51/57/94/443515794.db2.gz NFGIQFZWGKXQBF-UHFFFAOYSA-N 1 0 335.360 1.486 20 5 EDBDRO C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000273016275 443519184 /nfs/dbraw/zinc/51/91/84/443519184.db2.gz SCUCFPILXQYQCH-XHDPSFHLSA-N 1 0 332.360 1.156 20 5 EDBDRO COC(=O)[C@@H](C)C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273039340 443525816 /nfs/dbraw/zinc/52/58/16/443525816.db2.gz OPYOSVOBYHDQOA-NWDGAFQWSA-N 1 0 326.349 1.075 20 5 EDBDRO O=C(CN1CC[NH+](C2CCC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000265177588 443560012 /nfs/dbraw/zinc/56/00/12/443560012.db2.gz ZVEIJRKXDXVMBT-UHFFFAOYSA-N 1 0 344.415 1.654 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000279849180 443631946 /nfs/dbraw/zinc/63/19/46/443631946.db2.gz RYDHGHCRTFDEEX-AWEZNQCLSA-N 1 0 337.376 1.635 20 5 EDBDRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000265409641 443632142 /nfs/dbraw/zinc/63/21/42/443632142.db2.gz WULBCSNUVJZRAI-UHFFFAOYSA-N 1 0 340.767 1.397 20 5 EDBDRO Cc1ccnc(NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000265301017 443600480 /nfs/dbraw/zinc/60/04/80/443600480.db2.gz ZVGLNFUGEITXBB-CYBMUJFWSA-N 1 0 335.408 1.653 20 5 EDBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286184014 443663202 /nfs/dbraw/zinc/66/32/02/443663202.db2.gz VBWTZMCHIGZOFM-FZMZJTMJSA-N 1 0 329.360 1.568 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276156933 443657417 /nfs/dbraw/zinc/65/74/17/443657417.db2.gz FKSODNSKKRDAKS-LBPRGKRZSA-N 1 0 341.433 1.776 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H]1[NH3+] ZINC000440847363 320083395 /nfs/dbraw/zinc/08/33/95/320083395.db2.gz VUBKUGBLMRBZRE-KOLCDFICSA-N 1 0 336.373 1.111 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000449641939 320195829 /nfs/dbraw/zinc/19/58/29/320195829.db2.gz FLNKGVDMDCHQLM-DGCLKSJQSA-N 1 0 349.387 1.542 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000454068686 320281730 /nfs/dbraw/zinc/28/17/30/320281730.db2.gz LRSQDNCPSWBFMT-UHFFFAOYSA-N 1 0 348.403 1.832 20 5 EDBDRO CC1(C)CCC[N@@H+]1CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000457080284 320319079 /nfs/dbraw/zinc/31/90/79/320319079.db2.gz UGRFGBYEWRGVJU-UHFFFAOYSA-N 1 0 348.403 1.315 20 5 EDBDRO C[C@@H]1NC(=O)N(CCN(Cc2ccccc2[N+](=O)[O-])C2CC2)C1=O ZINC000459364976 320347482 /nfs/dbraw/zinc/34/74/82/320347482.db2.gz KXXCNOVLYAJBSV-NSHDSACASA-N 1 0 332.360 1.500 20 5 EDBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491564756 320372458 /nfs/dbraw/zinc/37/24/58/320372458.db2.gz YRFDRLKHTUGCQH-ZPIQOJFGSA-N 1 0 346.387 1.064 20 5 EDBDRO CCOc1cc(CN2CC[NH+](CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000492772851 320385832 /nfs/dbraw/zinc/38/58/32/320385832.db2.gz OKTXFAQXLSDBQI-UHFFFAOYSA-N 1 0 337.420 1.882 20 5 EDBDRO CCN(CCC[NH+]1CCCC1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000276440947 443705503 /nfs/dbraw/zinc/70/55/03/443705503.db2.gz LCRGZUQVJOCMFS-UHFFFAOYSA-N 1 0 336.392 1.091 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000517957744 320453792 /nfs/dbraw/zinc/45/37/92/320453792.db2.gz VRWOOFZPTIEBJV-ZIAGYGMSSA-N 1 0 337.376 1.681 20 5 EDBDRO CC(C)C[C@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)[NH+](C)C ZINC000518461973 320457234 /nfs/dbraw/zinc/45/72/34/320457234.db2.gz YRSDDTYTLXMGBB-LLVKDONJSA-N 1 0 344.437 1.630 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000518733117 320459489 /nfs/dbraw/zinc/45/94/89/320459489.db2.gz QDXORGWIEVQQLZ-KRWDZBQOSA-N 1 0 348.403 1.889 20 5 EDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000298691601 443840029 /nfs/dbraw/zinc/84/00/29/443840029.db2.gz DOFSGQOKPAFEQY-TXEJJXNPSA-N 1 0 335.408 1.869 20 5 EDBDRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298757204 443859514 /nfs/dbraw/zinc/85/95/14/443859514.db2.gz WWLYMHWHVOUKLN-UHFFFAOYSA-N 1 0 328.756 1.207 20 5 EDBDRO COC(=O)[C@H](C)C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000298759739 443861085 /nfs/dbraw/zinc/86/10/85/443861085.db2.gz ZLBCCHMDDBJASN-DGCLKSJQSA-N 1 0 326.349 1.075 20 5 EDBDRO CNC(=O)[C@@]1(C)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000281263210 443863497 /nfs/dbraw/zinc/86/34/97/443863497.db2.gz VLUDAYSXNSNEJH-KRWDZBQOSA-N 1 0 348.403 1.690 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCOC[C@H]1C ZINC000277524695 444000567 /nfs/dbraw/zinc/00/05/67/444000567.db2.gz RBBWYTMGBUCSRK-YPMHNXCESA-N 1 0 337.376 1.947 20 5 EDBDRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000281593767 443953969 /nfs/dbraw/zinc/95/39/69/443953969.db2.gz RIASZKGMSYACOF-UHFFFAOYSA-N 1 0 327.406 1.701 20 5 EDBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000299439234 444046433 /nfs/dbraw/zinc/04/64/33/444046433.db2.gz SSTLUMBURSSECB-WCQYABFASA-N 1 0 339.417 1.522 20 5 EDBDRO CN(CCC[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccco1 ZINC000285518935 444014047 /nfs/dbraw/zinc/01/40/47/444014047.db2.gz DUZDZFSEHLMFHV-UHFFFAOYSA-N 1 0 348.403 1.803 20 5 EDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(CO)(c3ccccc3)CC2)n1 ZINC000293491489 444033049 /nfs/dbraw/zinc/03/30/49/444033049.db2.gz ZAHXQLXTBGGPOM-UHFFFAOYSA-N 1 0 330.388 1.817 20 5 EDBDRO CC[N@H+](CCOCCO)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000282074038 444079522 /nfs/dbraw/zinc/07/95/22/444079522.db2.gz NNXFRQMRSHFNEY-UHFFFAOYSA-N 1 0 328.365 1.313 20 5 EDBDRO CC[NH2+]CCCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000563105823 321096204 /nfs/dbraw/zinc/09/62/04/321096204.db2.gz GINIOZRMPPLFFF-UHFFFAOYSA-N 1 0 336.392 1.161 20 5 EDBDRO CC(C)c1ccccc1OC[C@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000564853897 321151406 /nfs/dbraw/zinc/15/14/06/321151406.db2.gz IRQDOXPCWUAHHA-OAHLLOKOSA-N 1 0 348.403 1.944 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000565247514 321179646 /nfs/dbraw/zinc/17/96/46/321179646.db2.gz XERFMUQHABAPHY-NEPJUHHUSA-N 1 0 327.406 1.583 20 5 EDBDRO CC(C)c1nc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cs1 ZINC000566110419 321216135 /nfs/dbraw/zinc/21/61/35/321216135.db2.gz ZYMNSAXRKAXWNU-CYBMUJFWSA-N 1 0 339.421 1.564 20 5 EDBDRO CCc1cccc(OC[C@@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000566114282 321216698 /nfs/dbraw/zinc/21/66/98/321216698.db2.gz FCRNYHWZOPXTOS-HNNXBMFYSA-N 1 0 334.376 1.383 20 5 EDBDRO Cc1cccc(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000567892129 321266091 /nfs/dbraw/zinc/26/60/91/321266091.db2.gz DXFIMRSNMNJAPI-INIZCTEOSA-N 1 0 331.372 1.870 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2Cc3ccccc3O2)c1 ZINC000569023551 321315364 /nfs/dbraw/zinc/31/53/64/321315364.db2.gz REKIRYDYFXLLKP-DOTOQJQBSA-N 1 0 344.367 1.928 20 5 EDBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC[N@@H+](CCO)CC1 ZINC000278146530 444106243 /nfs/dbraw/zinc/10/62/43/444106243.db2.gz BAZGAAHQQUNPIR-UHFFFAOYSA-N 1 0 334.298 1.513 20 5 EDBDRO CC(C)[C@@](C)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(N)=O ZINC000289418080 444136672 /nfs/dbraw/zinc/13/66/72/444136672.db2.gz UKLSSEMVWKQKDI-CQSZACIVSA-N 1 0 342.783 1.676 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000285934447 444156914 /nfs/dbraw/zinc/15/69/14/444156914.db2.gz FRHZLSBQJMLWPE-JUFZMCDQSA-N 1 0 348.403 1.216 20 5 EDBDRO Cc1cc(NC(=O)C(=O)N(C)C[C@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000299707398 444121627 /nfs/dbraw/zinc/12/16/27/444121627.db2.gz PTKGWYIZDYYYKV-LBPRGKRZSA-N 1 0 334.376 1.252 20 5 EDBDRO Cc1cc(F)c(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000296210137 444211861 /nfs/dbraw/zinc/21/18/61/444211861.db2.gz DKSMODOVNZRXIY-JTQLQIEISA-N 1 0 338.339 1.191 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000575156671 321518167 /nfs/dbraw/zinc/51/81/67/321518167.db2.gz KZJQLYQZRAADFJ-ZDUSSCGKSA-N 1 0 336.392 1.615 20 5 EDBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000576568387 321577095 /nfs/dbraw/zinc/57/70/95/321577095.db2.gz GDADYHCKBBMZTK-LBPRGKRZSA-N 1 0 344.318 1.270 20 5 EDBDRO CC(C)[C@@H](C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[NH+](C)C ZINC000297085512 444272720 /nfs/dbraw/zinc/27/27/20/444272720.db2.gz XWROGQMHAIQAEF-AWEZNQCLSA-N 1 0 335.408 1.225 20 5 EDBDRO CC[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000317256293 444314614 /nfs/dbraw/zinc/31/46/14/444314614.db2.gz PPKSLBZNNDTHOT-OCCSQVGLSA-N 1 0 327.406 1.484 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000318905587 444321460 /nfs/dbraw/zinc/32/14/60/444321460.db2.gz KNWMAQLNBZDNAS-JTQLQIEISA-N 1 0 329.378 1.024 20 5 EDBDRO CN(C)[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000577741661 321678725 /nfs/dbraw/zinc/67/87/25/321678725.db2.gz UNYPKCDGANQZPO-HOTGVXAUSA-N 1 0 339.440 1.252 20 5 EDBDRO C[C@H](O)[C@H]1CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000305870322 444283812 /nfs/dbraw/zinc/28/38/12/444283812.db2.gz ODJYDCUDVVQVIA-RYUDHWBXSA-N 1 0 335.360 1.596 20 5 EDBDRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000297952700 444367305 /nfs/dbraw/zinc/36/73/05/444367305.db2.gz TVDSKYKKCKREET-GFCCVEGCSA-N 1 0 348.403 1.690 20 5 EDBDRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000340579940 444448241 /nfs/dbraw/zinc/44/82/41/444448241.db2.gz JWWDNAODZLGDJG-UKRRQHHQSA-N 1 0 344.371 1.288 20 5 EDBDRO C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000580436848 322051064 /nfs/dbraw/zinc/05/10/64/322051064.db2.gz XDRIHNAKOZJXJA-FMSQNYNMSA-N 1 0 336.323 1.403 20 5 EDBDRO CC[C@H](C[C@@H](C)CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000581429591 322176658 /nfs/dbraw/zinc/17/66/58/322176658.db2.gz RZSDVAZGEZGHGO-CHWSQXEVSA-N 1 0 344.433 1.755 20 5 EDBDRO COC(=O)c1cn(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000581444451 322178753 /nfs/dbraw/zinc/17/87/53/322178753.db2.gz VTJVGNXMRXZJJR-NSHDSACASA-N 1 0 333.348 1.632 20 5 EDBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000343776738 444583584 /nfs/dbraw/zinc/58/35/84/444583584.db2.gz GFMWFIYZCGJWCX-XJKSGUPXSA-N 1 0 332.404 1.470 20 5 EDBDRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000342209591 444566721 /nfs/dbraw/zinc/56/67/21/444566721.db2.gz SXEKQYHEEVFHPH-KBPBESRZSA-N 1 0 344.371 1.288 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c1 ZINC000342230908 444577511 /nfs/dbraw/zinc/57/75/11/444577511.db2.gz WIKYIUISNISSMM-ZDUSSCGKSA-N 1 0 346.343 1.160 20 5 EDBDRO COC(=O)c1cc(C)nc(NC[C@@H](CC(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000341359771 444794802 /nfs/dbraw/zinc/79/48/02/444794802.db2.gz MLAXFMIDXRWVPO-GFCCVEGCSA-N 1 0 338.408 2.473 20 5 EDBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000336901869 444842860 /nfs/dbraw/zinc/84/28/60/444842860.db2.gz TVRSTESJGZUJTM-UKRRQHHQSA-N 1 0 343.387 1.743 20 5 EDBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000341551098 444889549 /nfs/dbraw/zinc/88/95/49/444889549.db2.gz BVZMUWRPAURUTD-LLVKDONJSA-N 1 0 344.437 1.645 20 5 EDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000344432166 444966687 /nfs/dbraw/zinc/96/66/87/444966687.db2.gz SRJQGJGWNDJYAW-DGCLKSJQSA-N 1 0 334.376 1.441 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000343048624 445027985 /nfs/dbraw/zinc/02/79/85/445027985.db2.gz FEIJREUGXPRPJF-UHFFFAOYSA-N 1 0 348.363 1.074 20 5 EDBDRO O=C(CC[NH+]1CCC(OCCO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000337322412 445033530 /nfs/dbraw/zinc/03/35/30/445033530.db2.gz RGUJKAOTIZYBIF-UHFFFAOYSA-N 1 0 337.376 1.397 20 5 EDBDRO CC(C)OC[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000337346153 445041247 /nfs/dbraw/zinc/04/12/47/445041247.db2.gz VWXOCHQDLLSECA-LBPRGKRZSA-N 1 0 345.421 1.276 20 5 EDBDRO O=C(NCCNc1cc[nH+]cc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000341871281 445044513 /nfs/dbraw/zinc/04/45/13/445044513.db2.gz WSFWNXCEINKBRN-UHFFFAOYSA-N 1 0 326.312 2.000 20 5 EDBDRO Cn1nccc1[C@H]1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC(=O)N1C ZINC000343460139 445227073 /nfs/dbraw/zinc/22/70/73/445227073.db2.gz JYZAAQWCPHBPPM-XJKSGUPXSA-N 1 0 329.360 1.390 20 5 EDBDRO COC(=O)COc1ccc(C[N@H+](C)[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000348548853 445323282 /nfs/dbraw/zinc/32/32/82/445323282.db2.gz HBIOKXNBBONQEL-TZMCWYRMSA-N 1 0 338.360 1.492 20 5 EDBDRO CCc1n[nH]c(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000348163232 445296752 /nfs/dbraw/zinc/29/67/52/445296752.db2.gz DUFZREYVDYADGS-GFCCVEGCSA-N 1 0 335.408 1.684 20 5 EDBDRO CCOC(=O)c1ccnc(N2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000348162851 445297050 /nfs/dbraw/zinc/29/70/50/445297050.db2.gz MJUUYRSZEZJDLT-UHFFFAOYSA-N 1 0 336.392 1.945 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C[C@H]1[NH+](C)C ZINC000359770416 445417771 /nfs/dbraw/zinc/41/77/71/445417771.db2.gz ARWRVJJDWMAGKM-IAQYHMDHSA-N 1 0 344.375 1.198 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@]1(CO)CCOC1 ZINC000359784966 445427438 /nfs/dbraw/zinc/42/74/38/445427438.db2.gz ARZHTPINJIGTIJ-INIZCTEOSA-N 1 0 337.376 1.315 20 5 EDBDRO O=C(C[N@@H+]1CCC[C@H]2COCC[C@@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000362453821 445390068 /nfs/dbraw/zinc/39/00/68/445390068.db2.gz PORBEEGAVLPHPQ-HOCLYGCPSA-N 1 0 345.399 1.985 20 5 EDBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000362556131 445438020 /nfs/dbraw/zinc/43/80/20/445438020.db2.gz QIITZQPXDMXXJJ-NSHDSACASA-N 1 0 344.375 1.237 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000362754786 445533828 /nfs/dbraw/zinc/53/38/28/445533828.db2.gz AZRRVJYVGCZDTQ-LLVKDONJSA-N 1 0 339.417 1.767 20 5 EDBDRO O=[N+]([O-])c1ccc(CN(CCC(F)(F)F)C[C@@H](O)CO)c(F)c1 ZINC000352605627 445542224 /nfs/dbraw/zinc/54/22/24/445542224.db2.gz PSEAEBFONWHMMQ-LLVKDONJSA-N 1 0 340.273 1.842 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000362998984 445644370 /nfs/dbraw/zinc/64/43/70/445644370.db2.gz YFPCRKRKMSKHSV-RYUDHWBXSA-N 1 0 337.351 1.856 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CN3CCCC[C@H]3CO2)c1 ZINC000360736404 445729511 /nfs/dbraw/zinc/72/95/11/445729511.db2.gz FWMYFUAKBKDZHU-JSGCOSHPSA-N 1 0 349.387 1.587 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000360904899 445739161 /nfs/dbraw/zinc/73/91/61/445739161.db2.gz VRGSVWPLFJURKS-NSHDSACASA-N 1 0 325.413 1.401 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000353760242 445742706 /nfs/dbraw/zinc/74/27/06/445742706.db2.gz QCJARQRJJVOFHH-LLVKDONJSA-N 1 0 348.359 1.731 20 5 EDBDRO C[NH+]1CCN(C[C@@H]2CN(CCc3ccc([N+](=O)[O-])cc3)CCO2)CC1 ZINC000363493724 445830191 /nfs/dbraw/zinc/83/01/91/445830191.db2.gz TWXPOVDGGWXCBL-SFHVURJKSA-N 1 0 348.447 1.086 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000363405748 445790889 /nfs/dbraw/zinc/79/08/89/445790889.db2.gz UBEIOSPGSCDIFZ-GHMZBOCLSA-N 1 0 345.446 1.904 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000354202976 445995837 /nfs/dbraw/zinc/99/58/37/445995837.db2.gz JPYHSWQOMNOCHC-RISCZKNCSA-N 1 0 348.403 1.695 20 5 EDBDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000369231028 446008613 /nfs/dbraw/zinc/00/86/13/446008613.db2.gz KNJOEMJFKPHIFV-STQMWFEESA-N 1 0 327.450 1.520 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cc(F)c(Cl)cc2F)c1 ZINC000583199353 326025047 /nfs/dbraw/zinc/02/50/47/326025047.db2.gz LWUIAAJBUZJTGG-JTQLQIEISA-N 1 0 346.721 1.874 20 5 EDBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000583494428 326083254 /nfs/dbraw/zinc/08/32/54/326083254.db2.gz DQGRMKXBDAVKEF-KRWDZBQOSA-N 1 0 348.403 1.242 20 5 EDBDRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])nc1 ZINC000583560372 326095442 /nfs/dbraw/zinc/09/54/42/326095442.db2.gz IGFIPYWMHOGBPV-CYBMUJFWSA-N 1 0 333.344 1.528 20 5 EDBDRO COC(=O)[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2 ZINC000373185369 446085441 /nfs/dbraw/zinc/08/54/41/446085441.db2.gz ZPCRCTHUJBREMC-CABCVRRESA-N 1 0 334.372 1.903 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000351493699 446096457 /nfs/dbraw/zinc/09/64/57/446096457.db2.gz NBCNHZFZJGDNNI-AUZPSNTRSA-N 1 0 348.403 1.600 20 5 EDBDRO Cc1ncccc1O[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000365276488 446121176 /nfs/dbraw/zinc/12/11/76/446121176.db2.gz ROJUNENDRDTPFM-LSDHHAIUSA-N 1 0 347.375 1.009 20 5 EDBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000354398391 446176882 /nfs/dbraw/zinc/17/68/82/446176882.db2.gz MQVPZSCGHHPZME-CYBMUJFWSA-N 1 0 337.424 1.907 20 5 EDBDRO C[C@@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)CS(C)(=O)=O ZINC000373282813 446142372 /nfs/dbraw/zinc/14/23/72/446142372.db2.gz DOKSGERMXOYCMH-NSHDSACASA-N 1 0 330.410 1.109 20 5 EDBDRO C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000359314009 446142786 /nfs/dbraw/zinc/14/27/86/446142786.db2.gz ONDNJKKNFJDZFB-VXGBXAGGSA-N 1 0 343.405 1.030 20 5 EDBDRO NC(=O)c1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000362079163 446199330 /nfs/dbraw/zinc/19/93/30/446199330.db2.gz OIXRRYSNXWCKBQ-CYBMUJFWSA-N 1 0 334.376 1.359 20 5 EDBDRO CO[C@]1(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000359409374 446207418 /nfs/dbraw/zinc/20/74/18/446207418.db2.gz CFKPSIMOHRKEFS-WBMJQRKESA-N 1 0 337.376 1.707 20 5 EDBDRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000359413198 446209216 /nfs/dbraw/zinc/20/92/16/446209216.db2.gz PDTZLPMBKJUIMO-CQSZACIVSA-N 1 0 330.344 1.742 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000366448987 446220829 /nfs/dbraw/zinc/22/08/29/446220829.db2.gz NGONQMVBKMHFCJ-KGLIPLIRSA-N 1 0 333.388 1.964 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365548465 446249705 /nfs/dbraw/zinc/24/97/05/446249705.db2.gz FNDHASDLKZPROO-SOUVJXGZSA-N 1 0 347.419 1.433 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365548466 446250237 /nfs/dbraw/zinc/25/02/37/446250237.db2.gz FNDHASDLKZPROO-ZNMIVQPWSA-N 1 0 347.419 1.433 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(OCC[NH+](C)C)CC1 ZINC000359502376 446262660 /nfs/dbraw/zinc/26/26/60/446262660.db2.gz NTAKQHKYERUOFQ-UHFFFAOYSA-N 1 0 325.413 1.667 20 5 EDBDRO CN1CCC[C@]2(CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000370409857 446266836 /nfs/dbraw/zinc/26/68/36/446266836.db2.gz JKGRQYVPVGPNHY-QGZVFWFLSA-N 1 0 333.388 1.918 20 5 EDBDRO CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000365694589 446304658 /nfs/dbraw/zinc/30/46/58/446304658.db2.gz CZZHDVBKYGVEKJ-DZGCQCFKSA-N 1 0 349.435 1.760 20 5 EDBDRO Cc1cccc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000374219932 446358409 /nfs/dbraw/zinc/35/84/09/446358409.db2.gz LSRNDEWJIQNDQB-HNNXBMFYSA-N 1 0 346.431 1.755 20 5 EDBDRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365871748 446381377 /nfs/dbraw/zinc/38/13/77/446381377.db2.gz SELCOBFUTXRYBJ-LBPRGKRZSA-N 1 0 338.412 1.478 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000420250258 446432052 /nfs/dbraw/zinc/43/20/52/446432052.db2.gz ZPXZXEIXXVBAGM-NSHDSACASA-N 1 0 347.341 1.855 20 5 EDBDRO COC(=O)c1cc(C)nc(NC[C@H]2CCNCC2(F)F)c1[N+](=O)[O-] ZINC000420285894 446450835 /nfs/dbraw/zinc/45/08/35/446450835.db2.gz PRHAQXJKHABFIP-SECBINFHSA-N 1 0 344.318 1.742 20 5 EDBDRO [NH3+]C[C@H]1CCCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417990010 446408558 /nfs/dbraw/zinc/40/85/58/446408558.db2.gz LPDTZZZHRZSIRS-GFCCVEGCSA-N 1 0 326.784 1.923 20 5 EDBDRO CO[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420314041 446478479 /nfs/dbraw/zinc/47/84/79/446478479.db2.gz VDJBKVKDBOTADR-QWHCGFSZSA-N 1 0 336.392 1.362 20 5 EDBDRO C[C@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCC[NH2+]C1 ZINC000418334583 446505181 /nfs/dbraw/zinc/50/51/81/446505181.db2.gz GMJNYNMYMBYENH-STQMWFEESA-N 1 0 348.403 1.756 20 5 EDBDRO C[C@H]1CCC[N@@H+]1C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000370898789 446506569 /nfs/dbraw/zinc/50/65/69/446506569.db2.gz HDWNVICJDUVTRS-XJKSGUPXSA-N 1 0 337.424 1.101 20 5 EDBDRO O=C(NC[C@H]1CCC[NH2+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418360991 446512954 /nfs/dbraw/zinc/51/29/54/446512954.db2.gz GMORDKASBZQSID-CYBMUJFWSA-N 1 0 333.392 1.178 20 5 EDBDRO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000370991174 446561537 /nfs/dbraw/zinc/56/15/37/446561537.db2.gz IHALZYCAWROMAZ-VCOSZWKGSA-N 1 0 333.388 1.747 20 5 EDBDRO CCc1nn(C)c(Nc2ccn(C3CC[NH+](C)CC3)n2)c1[N+](=O)[O-] ZINC000367291246 446533366 /nfs/dbraw/zinc/53/33/66/446533366.db2.gz RGLIHWWLVWOROV-UHFFFAOYSA-N 1 0 333.396 2.098 20 5 EDBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420365198 446544404 /nfs/dbraw/zinc/54/44/04/446544404.db2.gz KXWCFKNFDAVVKY-PEBVRCNWSA-N 1 0 332.404 1.460 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000420422619 446597648 /nfs/dbraw/zinc/59/76/48/446597648.db2.gz GJZOHCRHMPIETG-CMPLNLGQSA-N 1 0 327.406 1.488 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000420423394 446598763 /nfs/dbraw/zinc/59/87/63/446598763.db2.gz RHAGAMVUWZKKOU-OLZOCXBDSA-N 1 0 341.433 1.878 20 5 EDBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CCN4CCOC[C@H]4C3)o2)cc1 ZINC000375237431 446662011 /nfs/dbraw/zinc/66/20/11/446662011.db2.gz NWZAFQCHQZENIQ-CQSZACIVSA-N 1 0 345.359 1.161 20 5 EDBDRO CCCc1n[nH]c(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000371235287 446707621 /nfs/dbraw/zinc/70/76/21/446707621.db2.gz JQNHNLWNBQFZJJ-RYUDHWBXSA-N 1 0 335.408 1.875 20 5 EDBDRO CON1CCC([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000411820768 446680857 /nfs/dbraw/zinc/68/08/57/446680857.db2.gz RYBFKGBUOPFSBX-UHFFFAOYSA-N 1 0 336.392 1.881 20 5 EDBDRO Cc1n[nH]cc1C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000375379027 446759139 /nfs/dbraw/zinc/75/91/39/446759139.db2.gz NTADYZVVHGZJOM-UHFFFAOYSA-N 1 0 331.376 1.668 20 5 EDBDRO O=C1[C@H]([NH2+][C@H]2CCO[C@H]2C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000375439496 446800582 /nfs/dbraw/zinc/80/05/82/446800582.db2.gz VHTFSKXNAGYNSW-XHSDSOJGSA-N 1 0 331.372 1.857 20 5 EDBDRO COc1cc(C(=O)N[C@H](C[NH3+])C2CCCC2)cc([N+](=O)[O-])c1OC ZINC000423966589 446800779 /nfs/dbraw/zinc/80/07/79/446800779.db2.gz SDOPTXQEKIVMQQ-GFCCVEGCSA-N 1 0 337.376 1.859 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420756443 446794603 /nfs/dbraw/zinc/79/46/03/446794603.db2.gz AUYUIEBHRVZYND-AWEZNQCLSA-N 1 0 341.433 1.872 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)c1 ZINC000412033496 446795025 /nfs/dbraw/zinc/79/50/25/446795025.db2.gz FMLNQNCHPZSISF-DARAHFNDSA-N 1 0 336.388 1.427 20 5 EDBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000423954331 446796432 /nfs/dbraw/zinc/79/64/32/446796432.db2.gz RWRAIBQLXZIURR-AWEZNQCLSA-N 1 0 331.376 1.884 20 5 EDBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000376959388 446823365 /nfs/dbraw/zinc/82/33/65/446823365.db2.gz YCZPYCVNVVMWCX-LRDDRELGSA-N 1 0 348.403 1.408 20 5 EDBDRO CC1(Cc2ccccc2)C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000375484135 446838192 /nfs/dbraw/zinc/83/81/92/446838192.db2.gz BBVQEDPUMGHJEV-INIZCTEOSA-N 1 0 330.388 1.717 20 5 EDBDRO C[C@@H]1C[C@H](O)C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000412044183 446806302 /nfs/dbraw/zinc/80/63/02/446806302.db2.gz WFNKVVUEFJPANG-YPMHNXCESA-N 1 0 335.360 1.596 20 5 EDBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000418994831 446853241 /nfs/dbraw/zinc/85/32/41/446853241.db2.gz INVBTBOBRJLEDR-GHMZBOCLSA-N 1 0 347.375 1.135 20 5 EDBDRO C[C@@H]1C[C@H](CO)C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000420937596 446909854 /nfs/dbraw/zinc/90/98/54/446909854.db2.gz JUYXHFFWVYAWJN-WWGRRREGSA-N 1 0 333.388 1.650 20 5 EDBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H]2CNc3ccnn3C2)CC1 ZINC000619264231 450438001 /nfs/dbraw/zinc/43/80/01/450438001.db2.gz CPQMJVMCOPWLLU-AWEZNQCLSA-N 1 0 342.403 1.655 20 5 EDBDRO COC(=O)CNC(=O)[C@H]1CCCN1Cc1cccc([N+](=O)[O-])c1C ZINC000419344517 447109806 /nfs/dbraw/zinc/10/98/06/447109806.db2.gz ILWLPAUBBPKCCZ-CQSZACIVSA-N 1 0 335.360 1.157 20 5 EDBDRO C[N@@H+]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000375889986 447125024 /nfs/dbraw/zinc/12/50/24/447125024.db2.gz JTLDRZMDSOXROF-HOTGVXAUSA-N 1 0 343.387 1.395 20 5 EDBDRO CNC(=O)CC[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425401105 447146093 /nfs/dbraw/zinc/14/60/93/447146093.db2.gz ZWUBFHFHZUKJOP-UHFFFAOYSA-N 1 0 330.182 1.925 20 5 EDBDRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000377477754 447151825 /nfs/dbraw/zinc/15/18/25/447151825.db2.gz OGBJXIVXDXNDOH-ZFWWWQNUSA-N 1 0 346.387 1.068 20 5 EDBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000377481223 447153293 /nfs/dbraw/zinc/15/32/93/447153293.db2.gz HUCSHFITKKTZCC-ZIAGYGMSSA-N 1 0 348.403 1.376 20 5 EDBDRO C[N@@H+](Cc1cc(F)cc(F)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000444711756 447125601 /nfs/dbraw/zinc/12/56/01/447125601.db2.gz XJVZNZPKGZRBKN-AWEZNQCLSA-N 1 0 326.303 1.562 20 5 EDBDRO O=C(CC[N@@H+]1CCC[C@H](n2ccnn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000425501125 447195889 /nfs/dbraw/zinc/19/58/89/447195889.db2.gz NLYPMAOQSLBYRZ-HNNXBMFYSA-N 1 0 344.375 1.852 20 5 EDBDRO Cc1ccc(NC(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000376069583 447249226 /nfs/dbraw/zinc/24/92/26/447249226.db2.gz NEHFFZQFQBPIJR-ZDUSSCGKSA-N 1 0 336.392 1.824 20 5 EDBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000376036267 447225520 /nfs/dbraw/zinc/22/55/20/447225520.db2.gz XHOPJXPWUNKTOJ-LBPRGKRZSA-N 1 0 334.376 1.315 20 5 EDBDRO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000368972203 447235040 /nfs/dbraw/zinc/23/50/40/447235040.db2.gz FOYMBWJZNNCWJV-WPGHFRTFSA-N 1 0 346.387 1.509 20 5 EDBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)NCCc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425684581 447266350 /nfs/dbraw/zinc/26/63/50/447266350.db2.gz WXTHDQAUYPPNIC-GOEBONIOSA-N 1 0 332.404 1.873 20 5 EDBDRO C[NH2+]CCNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000420156867 447644732 /nfs/dbraw/zinc/64/47/32/447644732.db2.gz ODVONTSIDJONKW-UHFFFAOYSA-N 1 0 342.421 1.401 20 5 EDBDRO O=[N+]([O-])c1ccc(NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(F)c1 ZINC000420243101 447683439 /nfs/dbraw/zinc/68/34/39/447683439.db2.gz OPZCLPZRFRFSCP-GFCCVEGCSA-N 1 0 336.289 1.982 20 5 EDBDRO CC[C@H]1CN(CC)CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000451934475 447790141 /nfs/dbraw/zinc/79/01/41/447790141.db2.gz QOOJHRXJASCEIE-AWEZNQCLSA-N 1 0 341.433 1.841 20 5 EDBDRO C[C@@H](O)C[N@@H+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C ZINC000486929472 447826522 /nfs/dbraw/zinc/82/65/22/447826522.db2.gz DABQWFKGXMXUEH-NWDGAFQWSA-N 1 0 347.375 1.536 20 5 EDBDRO C[NH+](C)[C@]1(CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCSC1 ZINC000486968232 447826931 /nfs/dbraw/zinc/82/69/31/447826931.db2.gz MMJYNNUTKKPJCT-HNNXBMFYSA-N 1 0 349.416 2.494 20 5 EDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000569695474 447869495 /nfs/dbraw/zinc/86/94/95/447869495.db2.gz AJPKXXATFBRFBU-BDAKNGLRSA-N 1 0 340.405 1.028 20 5 EDBDRO COc1cc(OCC(=O)NCC[N@@H+]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000524774685 447951827 /nfs/dbraw/zinc/95/18/27/447951827.db2.gz WGDNJXULKYCXID-LBPRGKRZSA-N 1 0 337.376 1.440 20 5 EDBDRO COc1ccc(CC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000532080070 448197158 /nfs/dbraw/zinc/19/71/58/448197158.db2.gz INCKKQKTSRUXNZ-SMDDNHRTSA-N 1 0 333.388 1.745 20 5 EDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2nnc3n2CCCC3)n1 ZINC000571746349 448197766 /nfs/dbraw/zinc/19/77/66/448197766.db2.gz JMQGHSGKDIYVEP-OLZOCXBDSA-N 1 0 345.407 1.993 20 5 EDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000514938606 448228752 /nfs/dbraw/zinc/22/87/52/448228752.db2.gz XIWVZIHWKHTFLY-ZYHUDNBSSA-N 1 0 330.348 1.033 20 5 EDBDRO Cn1ccnc1[C@@H](NC[C@@H]1C[C@H](F)C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000591581769 448396106 /nfs/dbraw/zinc/39/61/06/448396106.db2.gz RJFAXBCYFMQYCG-YDHLFZDLSA-N 1 0 333.367 1.707 20 5 EDBDRO CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](C[NH3+])C1 ZINC000516059231 448374219 /nfs/dbraw/zinc/37/42/19/448374219.db2.gz CRYGTTJIAKYHJD-GFCCVEGCSA-N 1 0 334.401 1.524 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[NH2+]C[C@@H]3C(F)F)n2)c1 ZINC000516468031 448425665 /nfs/dbraw/zinc/42/56/65/448425665.db2.gz NRFREWMDIZDNCY-LLVKDONJSA-N 1 0 339.302 1.684 20 5 EDBDRO Cn1cc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591686215 448451055 /nfs/dbraw/zinc/45/10/55/448451055.db2.gz UIJBNQKJHYLLIM-RYUDHWBXSA-N 1 0 347.350 1.425 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2c(F)cccc2F)c1 ZINC000516640910 448454488 /nfs/dbraw/zinc/45/44/88/448454488.db2.gz GSRMOGSFQJCSBB-LLVKDONJSA-N 1 0 326.303 1.263 20 5 EDBDRO CC[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1ccccc1C ZINC000591749417 448480225 /nfs/dbraw/zinc/48/02/25/448480225.db2.gz PBZBIKMSFZLBNE-CVEARBPZSA-N 1 0 348.403 1.908 20 5 EDBDRO COc1cccc([N+](=O)[O-])c1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000516937957 448503393 /nfs/dbraw/zinc/50/33/93/448503393.db2.gz QOSVYYHGELUPOV-UHFFFAOYSA-N 1 0 348.403 1.348 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2c3ccccc3C[C@H]2O)c1 ZINC000572960686 448508161 /nfs/dbraw/zinc/50/81/61/448508161.db2.gz KDOWVNLELAZEAJ-OLMNPRSZSA-N 1 0 344.367 1.582 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000573020712 448524968 /nfs/dbraw/zinc/52/49/68/448524968.db2.gz UJFWXFSIULQHAM-UHFFFAOYSA-N 1 0 339.417 1.795 20 5 EDBDRO CNc1nccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000578377104 448531832 /nfs/dbraw/zinc/53/18/32/448531832.db2.gz FVAKSEVUUQSXEH-LBPRGKRZSA-N 1 0 333.392 1.778 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(OC(F)F)cc2)c1 ZINC000584568330 448572323 /nfs/dbraw/zinc/57/23/23/448572323.db2.gz MRRNTIXWWGIQRA-LBPRGKRZSA-N 1 0 342.302 1.543 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(C3CC3)cc2F)c1 ZINC000578437238 448545099 /nfs/dbraw/zinc/54/50/99/448545099.db2.gz WYZIHZAUIRGQBK-HNNXBMFYSA-N 1 0 334.351 1.959 20 5 EDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000517741897 448613452 /nfs/dbraw/zinc/61/34/52/448613452.db2.gz IGFHCKYZGMTJNT-SFYZADRCSA-N 1 0 328.756 1.429 20 5 EDBDRO Cc1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000584665759 448592732 /nfs/dbraw/zinc/59/27/32/448592732.db2.gz ZCDFODQEACANSG-DGCLKSJQSA-N 1 0 341.371 1.200 20 5 EDBDRO COc1cc(Cl)ccc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000574151148 448802426 /nfs/dbraw/zinc/80/24/26/448802426.db2.gz JESHEXPWSCPKQQ-CYBMUJFWSA-N 1 0 340.767 1.604 20 5 EDBDRO CC1(C)CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1CCO ZINC000586770230 448805316 /nfs/dbraw/zinc/80/53/16/448805316.db2.gz BQKONCGDOZMRSD-UHFFFAOYSA-N 1 0 329.347 1.762 20 5 EDBDRO Cn1c2cc(NC[C@@H]3CC[N@@H+](C4CC4)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000587178315 448836302 /nfs/dbraw/zinc/83/63/02/448836302.db2.gz HDWYGJMFULFAEJ-NSHDSACASA-N 1 0 345.403 1.681 20 5 EDBDRO Cn1c2cc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000587309736 448837395 /nfs/dbraw/zinc/83/73/95/448837395.db2.gz NNJNKAAKTZQJES-NWDGAFQWSA-N 1 0 345.403 1.824 20 5 EDBDRO CCCC[N@H+](C)CCNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000587977130 448849440 /nfs/dbraw/zinc/84/94/40/448849440.db2.gz GDDNGTHLZGRKPG-UHFFFAOYSA-N 1 0 335.408 1.929 20 5 EDBDRO COCC[N@H+](C)C[C@@H](O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000574464804 448881176 /nfs/dbraw/zinc/88/11/76/448881176.db2.gz UFGABMXXBBXCTE-MRXNPFEDSA-N 1 0 334.376 1.397 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cnn(-c3ccccc3)c2)c1 ZINC000579946933 448917282 /nfs/dbraw/zinc/91/72/82/448917282.db2.gz HNAYHLXUWZHRIQ-MRXNPFEDSA-N 1 0 342.359 1.128 20 5 EDBDRO C[N@H+](CCCCNS(=O)(=O)c1cccnc1[N+](=O)[O-])C1CC1 ZINC000520372929 448889458 /nfs/dbraw/zinc/88/94/58/448889458.db2.gz AASVZLNZRZRXKN-UHFFFAOYSA-N 1 0 328.394 1.143 20 5 EDBDRO CC(C)[C@H]1CN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000592543476 448890255 /nfs/dbraw/zinc/89/02/55/448890255.db2.gz CNJIPXTYIWCADR-IUODEOHRSA-N 1 0 348.403 1.170 20 5 EDBDRO Cc1ccc([C@@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000548085824 448980730 /nfs/dbraw/zinc/98/07/30/448980730.db2.gz OOZAPIXXVZFNIJ-CQSZACIVSA-N 1 0 343.387 1.913 20 5 EDBDRO Cc1c(CC(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588861933 448941836 /nfs/dbraw/zinc/94/18/36/448941836.db2.gz ZKYNVBGRVHWZMI-CABCVRRESA-N 1 0 333.388 1.113 20 5 EDBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H](CO)C[NH+]1CCCC1 ZINC000588869213 448943337 /nfs/dbraw/zinc/94/33/37/448943337.db2.gz IQRGNCUJPDUZEW-CYBMUJFWSA-N 1 0 346.387 1.192 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000548369341 449033744 /nfs/dbraw/zinc/03/37/44/449033744.db2.gz MHGLBRFCFXLSKR-LBPRGKRZSA-N 1 0 327.406 1.666 20 5 EDBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593573889 449082793 /nfs/dbraw/zinc/08/27/93/449082793.db2.gz VJJKWDTZEGRFFP-NSHDSACASA-N 1 0 342.421 1.341 20 5 EDBDRO CC(C)([NH2+]C[C@@H](O)COC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000590020181 449098654 /nfs/dbraw/zinc/09/86/54/449098654.db2.gz MNTIPHWIQMWRRN-ZIAGYGMSSA-N 1 0 338.404 1.976 20 5 EDBDRO COc1ccc(OCC[N@@H+]2CCC[C@](CO)(OC)C2)c([N+](=O)[O-])c1 ZINC000595660282 449103057 /nfs/dbraw/zinc/10/30/57/449103057.db2.gz DBJRYSPBLJYCAM-INIZCTEOSA-N 1 0 340.376 1.456 20 5 EDBDRO C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[NH2+]1 ZINC000599896725 449103197 /nfs/dbraw/zinc/10/31/97/449103197.db2.gz RMNDOFHWHXBCTN-BDAKNGLRSA-N 1 0 340.767 1.443 20 5 EDBDRO Cc1cccc(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597942297 449152656 /nfs/dbraw/zinc/15/26/56/449152656.db2.gz LGCIFDVYQMPSJQ-AWEZNQCLSA-N 1 0 336.436 1.905 20 5 EDBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H](CO)C[NH+]1CCCCC1 ZINC000593701383 449152645 /nfs/dbraw/zinc/15/26/45/449152645.db2.gz HEUZVEZFFMRGBO-CQSZACIVSA-N 1 0 339.367 1.239 20 5 EDBDRO CCN1C[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000593721960 449160208 /nfs/dbraw/zinc/16/02/08/449160208.db2.gz GCHFOBMHJZUSTF-MELADBBJSA-N 1 0 335.408 1.733 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000590388284 449144020 /nfs/dbraw/zinc/14/40/20/449144020.db2.gz LEDZMTSMIRBHGO-GFCCVEGCSA-N 1 0 348.403 1.624 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595759001 449151933 /nfs/dbraw/zinc/15/19/33/449151933.db2.gz OKISOHPXZLEQMF-YVEFUNNKSA-N 1 0 349.387 1.900 20 5 EDBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593739139 449173549 /nfs/dbraw/zinc/17/35/49/449173549.db2.gz XXPGAGWAQGCIAU-DCGLDWPTSA-N 1 0 332.404 1.983 20 5 EDBDRO COc1cc(OCC(=O)NCC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000597991614 449176931 /nfs/dbraw/zinc/17/69/31/449176931.db2.gz FSTBSGHYURHSCE-NSHDSACASA-N 1 0 325.365 1.439 20 5 EDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000590588458 449204247 /nfs/dbraw/zinc/20/42/47/449204247.db2.gz HNNYTBKYGYDMIR-OCCSQVGLSA-N 1 0 341.433 1.492 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C1CC1 ZINC000611207145 449214600 /nfs/dbraw/zinc/21/46/00/449214600.db2.gz HJXNYNBCMMPNBE-IINYFYTJSA-N 1 0 337.376 1.633 20 5 EDBDRO CC[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000590601106 449215377 /nfs/dbraw/zinc/21/53/77/449215377.db2.gz OMJQBMAQQXLFQB-GFCCVEGCSA-N 1 0 336.392 1.568 20 5 EDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000590566154 449193560 /nfs/dbraw/zinc/19/35/60/449193560.db2.gz FICXXHOWNWWSJU-YPMHNXCESA-N 1 0 344.375 1.340 20 5 EDBDRO CN1CCCC[C@@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O ZINC000601970838 449252736 /nfs/dbraw/zinc/25/27/36/449252736.db2.gz QNDSRORGHLEJFM-OAHLLOKOSA-N 1 0 348.403 1.866 20 5 EDBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000593903729 449274207 /nfs/dbraw/zinc/27/42/07/449274207.db2.gz LTUDATVVJUQMCN-YOEHRIQHSA-N 1 0 333.388 1.270 20 5 EDBDRO CN(CC1C[NH+](C)C1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000598164034 449269005 /nfs/dbraw/zinc/26/90/05/449269005.db2.gz SMGKRVOYKUIKSY-UHFFFAOYSA-N 1 0 329.360 1.414 20 5 EDBDRO Cc1[nH]nc(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)c1[N+](=O)[O-] ZINC000595943822 449270821 /nfs/dbraw/zinc/27/08/21/449270821.db2.gz RZQSHCXFXKWXHY-LBPRGKRZSA-N 1 0 331.332 1.540 20 5 EDBDRO [NH3+]CC12CC(C1)CN2C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595943476 449270899 /nfs/dbraw/zinc/27/08/99/449270899.db2.gz PMTOHCXAKWCEDK-UHFFFAOYSA-N 1 0 327.344 1.344 20 5 EDBDRO CC1(C)CN(CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000593443994 449286592 /nfs/dbraw/zinc/28/65/92/449286592.db2.gz PYFOXDZURXGBJE-UHFFFAOYSA-N 1 0 339.367 1.503 20 5 EDBDRO O=C1N=NCN1C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593983092 449311825 /nfs/dbraw/zinc/31/18/25/449311825.db2.gz VFTDJQOHKFJRFO-UHFFFAOYSA-N 1 0 347.375 1.998 20 5 EDBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000600315269 449315904 /nfs/dbraw/zinc/31/59/04/449315904.db2.gz QVGAJYWXHRNBQO-GFCCVEGCSA-N 1 0 349.387 1.828 20 5 EDBDRO COCCOCC[NH+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000593516250 449319929 /nfs/dbraw/zinc/31/99/29/449319929.db2.gz CGDDDWSJDLQXIA-UHFFFAOYSA-N 1 0 349.391 1.256 20 5 EDBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NC[C@@H]([NH3+])C2CC2)c1 ZINC000593906828 449276668 /nfs/dbraw/zinc/27/66/68/449276668.db2.gz WMFMMKILPAAOIG-OAHLLOKOSA-N 1 0 343.387 1.615 20 5 EDBDRO COc1cccc2c1C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000590759792 449278830 /nfs/dbraw/zinc/27/88/30/449278830.db2.gz OHLKUIOJDHWHQL-CQSZACIVSA-N 1 0 332.360 1.219 20 5 EDBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593912844 449282193 /nfs/dbraw/zinc/28/21/93/449282193.db2.gz RLRQDEUPIDVQFB-INMHGKMJSA-N 1 0 347.415 1.882 20 5 EDBDRO Cc1c(C[NH3+])c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)nn1C ZINC000595963088 449285716 /nfs/dbraw/zinc/28/57/16/449285716.db2.gz ZPDKTNQRJJKSLS-UHFFFAOYSA-N 1 0 335.389 1.826 20 5 EDBDRO COC(=O)c1cc([N+](=O)[O-])cn(Cc2cccc3c2CC[NH2+]C3)c1=O ZINC000596069427 449347061 /nfs/dbraw/zinc/34/70/61/449347061.db2.gz GUPQDTYFIXXNMW-UHFFFAOYSA-N 1 0 343.339 1.237 20 5 EDBDRO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000602102627 449347338 /nfs/dbraw/zinc/34/73/38/449347338.db2.gz QYVPNBPIPTUNER-OLZOCXBDSA-N 1 0 333.392 1.344 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594098722 449354349 /nfs/dbraw/zinc/35/43/49/449354349.db2.gz VSMHEMSZSJFQBL-QWHCGFSZSA-N 1 0 334.376 1.494 20 5 EDBDRO Cc1nn(CCC(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000602166562 449398230 /nfs/dbraw/zinc/39/82/30/449398230.db2.gz JCOFFNSVEYFYIW-OKILXGFUSA-N 1 0 335.408 1.541 20 5 EDBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1(C)C ZINC000602170929 449401518 /nfs/dbraw/zinc/40/15/18/449401518.db2.gz KFHPSQVDBVVOSM-HUUCEWRRSA-N 1 0 349.387 1.825 20 5 EDBDRO CNc1c(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cccc1[N+](=O)[O-] ZINC000598455010 449404249 /nfs/dbraw/zinc/40/42/49/449404249.db2.gz YXWKRMSHKLFLTB-CYBMUJFWSA-N 1 0 348.403 1.308 20 5 EDBDRO O=c1[nH]ccc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596168472 449393252 /nfs/dbraw/zinc/39/32/52/449393252.db2.gz SBMVIVBDOMAGMP-CYBMUJFWSA-N 1 0 336.392 1.777 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000596268552 449446495 /nfs/dbraw/zinc/44/64/95/449446495.db2.gz LWNVSNQWCNAXGO-UHFFFAOYSA-N 1 0 337.424 1.811 20 5 EDBDRO Cc1cc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000594319477 449447803 /nfs/dbraw/zinc/44/78/03/449447803.db2.gz WXOUMDFVMWLHNC-BJHJDKERSA-N 1 0 334.376 1.298 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000596306561 449466801 /nfs/dbraw/zinc/46/68/01/449466801.db2.gz GAZVEFCOQWBUDP-JTQLQIEISA-N 1 0 342.421 1.527 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596307826 449468098 /nfs/dbraw/zinc/46/80/98/449468098.db2.gz FGWRIVKERSZIDY-LLVKDONJSA-N 1 0 342.421 1.527 20 5 EDBDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C2 ZINC000598680741 449539802 /nfs/dbraw/zinc/53/98/02/449539802.db2.gz CKLHEEHAXYCXSS-MLGOLLRUSA-N 1 0 329.360 1.958 20 5 EDBDRO C[NH2+]CCOCCN(C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000600775453 449542999 /nfs/dbraw/zinc/54/29/99/449542999.db2.gz NXNBMRFQEXAYHZ-UHFFFAOYSA-N 1 0 325.365 1.034 20 5 EDBDRO C[NH+](C)CCC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CCO1 ZINC000596565325 449554505 /nfs/dbraw/zinc/55/45/05/449554505.db2.gz FXOKCSUHCNPGTR-CYBMUJFWSA-N 1 0 336.392 1.241 20 5 EDBDRO CNS(=O)(=O)CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000598622095 449499525 /nfs/dbraw/zinc/49/95/25/449499525.db2.gz ZJXAYVFCUYIYBH-ZDUSSCGKSA-N 1 0 327.406 1.323 20 5 EDBDRO COC(=O)c1ccnc(NCCCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000598628124 449505827 /nfs/dbraw/zinc/50/58/27/449505827.db2.gz MTXZJMRVWLRDTM-UHFFFAOYSA-N 1 0 336.392 2.454 20 5 EDBDRO C[C@@H]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C[C@H]1CO ZINC000598633844 449509092 /nfs/dbraw/zinc/50/90/92/449509092.db2.gz CMYFAVKXBLMFAO-ZBFHGGJFSA-N 1 0 349.431 1.882 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598718462 449561667 /nfs/dbraw/zinc/56/16/67/449561667.db2.gz FKSZIHSGLULGMZ-HZMBPMFUSA-N 1 0 341.389 1.105 20 5 EDBDRO CO[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@](C)(C[NH3+])C1 ZINC000600881548 449584858 /nfs/dbraw/zinc/58/48/58/449584858.db2.gz YZJPUYPHLWIPKZ-HZMBPMFUSA-N 1 0 327.768 1.827 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598722602 449563273 /nfs/dbraw/zinc/56/32/73/449563273.db2.gz BUILYJFDZJQTHR-DOMZBBRYSA-N 1 0 339.417 1.659 20 5 EDBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000594590832 449586338 /nfs/dbraw/zinc/58/63/38/449586338.db2.gz DHKMTUNCAFAVCX-KLPPZKSPSA-N 1 0 327.406 1.750 20 5 EDBDRO CCc1nn(C)c(N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000600951576 449612001 /nfs/dbraw/zinc/61/20/01/449612001.db2.gz FODNNCAXEJLDOJ-IUCAKERBSA-N 1 0 335.330 1.854 20 5 EDBDRO CS(=O)(=O)N1CC[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602578072 449685074 /nfs/dbraw/zinc/68/50/74/449685074.db2.gz YJAIPGNXXKBNKW-CYBMUJFWSA-N 1 0 327.406 1.008 20 5 EDBDRO CCn1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000602559246 449674507 /nfs/dbraw/zinc/67/45/07/449674507.db2.gz XBLSSHPYZXFDRJ-UHFFFAOYSA-N 1 0 330.392 1.965 20 5 EDBDRO C[C@H](CCNS(=O)(=O)c1ncccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000594770649 449683589 /nfs/dbraw/zinc/68/35/89/449683589.db2.gz BQDJNEFLJQOFAZ-GFCCVEGCSA-N 1 0 342.421 1.533 20 5 EDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H](O)[C@H]2CCCO2)c1 ZINC000598990668 449684097 /nfs/dbraw/zinc/68/40/97/449684097.db2.gz PXDWUTUTDJUVHB-DGCLKSJQSA-N 1 0 332.303 1.826 20 5 EDBDRO C[NH+](C)[C@@H](CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000598894786 449633975 /nfs/dbraw/zinc/63/39/75/449633975.db2.gz ROVRCOJLWSPAJR-AWEZNQCLSA-N 1 0 349.391 1.173 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598896200 449634028 /nfs/dbraw/zinc/63/40/28/449634028.db2.gz GKGPZMHNFFWMSC-AWEZNQCLSA-N 1 0 349.391 1.269 20 5 EDBDRO C[N@H+]1CC=C(CNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000598902889 449639488 /nfs/dbraw/zinc/63/94/88/449639488.db2.gz SSXVNUWWJRUANM-UHFFFAOYSA-N 1 0 347.375 1.094 20 5 EDBDRO COC(=O)CCN1CCC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000594714592 449642680 /nfs/dbraw/zinc/64/26/80/449642680.db2.gz KAJAOQVHFKVAKI-SWLSCSKDSA-N 1 0 349.387 1.800 20 5 EDBDRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594790546 449699574 /nfs/dbraw/zinc/69/95/74/449699574.db2.gz MPKBCRZLWHBACM-LLVKDONJSA-N 1 0 342.421 1.389 20 5 EDBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000601163589 449727010 /nfs/dbraw/zinc/72/70/10/449727010.db2.gz KWNGMZWDMUBIMY-RKDXNWHRSA-N 1 0 349.313 1.256 20 5 EDBDRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000599100843 449731739 /nfs/dbraw/zinc/73/17/39/449731739.db2.gz IPOSVURIKWLPSH-AWEZNQCLSA-N 1 0 327.406 1.354 20 5 EDBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c1[N+](=O)[O-] ZINC000599104729 449735038 /nfs/dbraw/zinc/73/50/38/449735038.db2.gz NLFJBOLUCNOEKS-NEPJUHHUSA-N 1 0 327.406 1.630 20 5 EDBDRO C[N@@H+]1CCN(CCNCc2nc3cc([N+](=O)[O-])ccc3o2)CC1(C)C ZINC000602658385 449735794 /nfs/dbraw/zinc/73/57/94/449735794.db2.gz VSZGUACYVQOEBF-UHFFFAOYSA-N 1 0 347.419 1.852 20 5 EDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000602582607 449687089 /nfs/dbraw/zinc/68/70/89/449687089.db2.gz OHUXGNYAGINNBX-ZDUSSCGKSA-N 1 0 339.417 1.887 20 5 EDBDRO CC[NH+]1CCN(C[C@H](C)CNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601105837 449692724 /nfs/dbraw/zinc/69/27/24/449692724.db2.gz ODWPCFILGHSFIS-GFCCVEGCSA-N 1 0 325.388 1.814 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)ccc1[N+](=O)[O-] ZINC000599108018 449740489 /nfs/dbraw/zinc/74/04/89/449740489.db2.gz PFNPQDOHGYUXRM-CYBMUJFWSA-N 1 0 325.390 1.466 20 5 EDBDRO C[C@@H](C(=O)NCCCC[NH+]1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617698855 449743486 /nfs/dbraw/zinc/74/34/86/449743486.db2.gz XUGQGSACSDXAFD-OAHLLOKOSA-N 1 0 348.447 1.842 20 5 EDBDRO Cc1cnc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000602687260 449750598 /nfs/dbraw/zinc/75/05/98/449750598.db2.gz JDRWUENXOAIWCX-UHFFFAOYSA-N 1 0 342.403 1.889 20 5 EDBDRO COC(=O)C[C@@H]1CSCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602781597 449804930 /nfs/dbraw/zinc/80/49/30/449804930.db2.gz BJPMRLLPXRWHMX-LLVKDONJSA-N 1 0 328.394 1.080 20 5 EDBDRO CCN1CCC[C@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000601314122 449823417 /nfs/dbraw/zinc/82/34/17/449823417.db2.gz YXVUUZJFIPVCGJ-NSHDSACASA-N 1 0 345.396 1.805 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000602825242 449836937 /nfs/dbraw/zinc/83/69/37/449836937.db2.gz KDUFKSUBHQMUFN-WWGRRREGSA-N 1 0 338.408 1.758 20 5 EDBDRO CC1(C)CN(c2ncnc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CCO ZINC000614829412 449837619 /nfs/dbraw/zinc/83/76/19/449837619.db2.gz YBPMPXZETQWXRZ-UHFFFAOYSA-N 1 0 331.376 1.431 20 5 EDBDRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601285268 449798150 /nfs/dbraw/zinc/79/81/50/449798150.db2.gz RDIUGIFCHPMQLS-UHFFFAOYSA-N 1 0 335.451 1.975 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000595077921 449857623 /nfs/dbraw/zinc/85/76/23/449857623.db2.gz LAOYNARBBVZQJS-WBMJQRKESA-N 1 0 340.376 1.422 20 5 EDBDRO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000612755380 449869620 /nfs/dbraw/zinc/86/96/20/449869620.db2.gz ZLGUOOOVGLBYNL-MRXNPFEDSA-N 1 0 330.388 1.749 20 5 EDBDRO C[C@H]1C[N@H+](CCCNc2ncnc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000617843292 449874499 /nfs/dbraw/zinc/87/44/99/449874499.db2.gz ZDGVFVKEAUQHOE-ZDUSSCGKSA-N 1 0 345.403 2.451 20 5 EDBDRO Cc1cc(S(=O)(=O)NCC[N@H+]2CC[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601361142 449874623 /nfs/dbraw/zinc/87/46/23/449874623.db2.gz CNWLFJKCVHKVDV-JTQLQIEISA-N 1 0 345.396 1.662 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[C@H](C)[NH+](C)C ZINC000595126384 449885958 /nfs/dbraw/zinc/88/59/58/449885958.db2.gz VTQBUVVHCDLGLA-NSHDSACASA-N 1 0 336.392 1.607 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000601372071 449887584 /nfs/dbraw/zinc/88/75/84/449887584.db2.gz XCHBAHAPGUECMU-NSHDSACASA-N 1 0 345.396 1.757 20 5 EDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000601422306 449940326 /nfs/dbraw/zinc/94/03/26/449940326.db2.gz PQTXEUKIEQCCET-MNOVXSKESA-N 1 0 343.405 1.317 20 5 EDBDRO COC(=O)c1cnc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000599404934 449951322 /nfs/dbraw/zinc/95/13/22/449951322.db2.gz NDQXEFJWHVNFIX-UHFFFAOYSA-N 1 0 330.344 1.846 20 5 EDBDRO C[C@@H]1CN(CC[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000602962994 449964452 /nfs/dbraw/zinc/96/44/52/449964452.db2.gz QXKRQAVNGVPJFJ-VBQJREDUSA-N 1 0 337.420 1.501 20 5 EDBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000609213790 449978662 /nfs/dbraw/zinc/97/86/62/449978662.db2.gz IULOOZRHGCGEQD-NSHDSACASA-N 1 0 335.360 1.532 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000595258711 449982115 /nfs/dbraw/zinc/98/21/15/449982115.db2.gz WDGHPPNRSZXLOR-HNNXBMFYSA-N 1 0 330.344 1.847 20 5 EDBDRO CC(C)[C@H]([NH3+])CCNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595273673 449992703 /nfs/dbraw/zinc/99/27/03/449992703.db2.gz PESTUUYMZPTANI-CYBMUJFWSA-N 1 0 338.412 1.511 20 5 EDBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)nc2c1 ZINC000618279259 450114905 /nfs/dbraw/zinc/11/49/05/450114905.db2.gz FCFGMNMISRSPIQ-CVEARBPZSA-N 1 0 345.403 1.502 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[NH2+][C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000595413855 450126796 /nfs/dbraw/zinc/12/67/96/450126796.db2.gz YABQDNLRHPDJAZ-ZDUSSCGKSA-N 1 0 327.406 1.522 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599674120 450144334 /nfs/dbraw/zinc/14/43/34/450144334.db2.gz YDUZYRDTHRJPKN-BJHJDKERSA-N 1 0 337.376 1.635 20 5 EDBDRO COc1cc(C(=O)NC[C@@H](C)[NH+]2CCCC2)cc([N+](=O)[O-])c1OC ZINC000610196786 450150812 /nfs/dbraw/zinc/15/08/12/450150812.db2.gz IPWMWPUMVXGDGR-LLVKDONJSA-N 1 0 337.376 1.826 20 5 EDBDRO CC(=O)NC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599701420 450164147 /nfs/dbraw/zinc/16/41/47/450164147.db2.gz JUXHFPGVEOMTOR-CQSZACIVSA-N 1 0 348.403 1.914 20 5 EDBDRO CC(C)Oc1cc(C(=O)N[C@H](CO)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000597653273 450172778 /nfs/dbraw/zinc/17/27/78/450172778.db2.gz IMYRLPTTZAJHDV-LBPRGKRZSA-N 1 0 325.365 1.034 20 5 EDBDRO CC[N@@H+]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000595534109 450213731 /nfs/dbraw/zinc/21/37/31/450213731.db2.gz CCUZDOQBNVYFJU-CQSZACIVSA-N 1 0 346.431 1.900 20 5 EDBDRO CNc1nccc(C(=O)N(C)CCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000603407554 450284485 /nfs/dbraw/zinc/28/44/85/450284485.db2.gz VKUMMSDUTGGDCX-UHFFFAOYSA-N 1 0 349.435 2.370 20 5 EDBDRO O=C1C[C@@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)CN1 ZINC000595564335 450237014 /nfs/dbraw/zinc/23/70/14/450237014.db2.gz XMGXRCRFDCHVKL-FVQBIDKESA-N 1 0 347.415 1.836 20 5 EDBDRO O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1CSCC[NH2+]1 ZINC000603419637 450293297 /nfs/dbraw/zinc/29/32/97/450293297.db2.gz OSBYOJUNXOZSQV-MRVPVSSYSA-N 1 0 333.211 1.869 20 5 EDBDRO Cc1cc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000603421773 450293613 /nfs/dbraw/zinc/29/36/13/450293613.db2.gz CCDNTPXYRVFEMW-HNNXBMFYSA-N 1 0 349.435 1.507 20 5 EDBDRO Cc1cc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000603421777 450293778 /nfs/dbraw/zinc/29/37/78/450293778.db2.gz CCDNTPXYRVFEMW-OAHLLOKOSA-N 1 0 349.435 1.507 20 5 EDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000619871923 450348888 /nfs/dbraw/zinc/34/88/88/450348888.db2.gz KGEDTQGMSDPAAW-INIZCTEOSA-N 1 0 347.415 1.851 20 5 EDBDRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1c(Cl)cccc1[N+](=O)[O-] ZINC000619873558 450349434 /nfs/dbraw/zinc/34/94/34/450349434.db2.gz MPWHLPIHTNWOJP-LLVKDONJSA-N 1 0 338.795 1.368 20 5 EDBDRO Cc1cc(OCC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000619535947 450500976 /nfs/dbraw/zinc/50/09/76/450500976.db2.gz DSVABXVXSDUMMU-AWEZNQCLSA-N 1 0 333.388 1.883 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342922209 485939052 /nfs/dbraw/zinc/93/90/52/485939052.db2.gz VJXWTMUVRHOWSB-LBPRGKRZSA-N 1 0 346.387 1.917 20 5 EDBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000185432809 533822261 /nfs/dbraw/zinc/82/22/61/533822261.db2.gz YGSVZSWKBQNOKV-ZDUSSCGKSA-N 1 0 336.392 1.137 20 5 EDBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000133161005 533873736 /nfs/dbraw/zinc/87/37/36/533873736.db2.gz KTIYCKWJKXLFMZ-LLVKDONJSA-N 1 0 333.797 1.572 20 5 EDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160361447 534466731 /nfs/dbraw/zinc/46/67/31/534466731.db2.gz MTNHIKARAUWDTP-MRXNPFEDSA-N 1 0 335.404 1.490 20 5 EDBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000175003253 534797804 /nfs/dbraw/zinc/79/78/04/534797804.db2.gz HIUQQRPNSSKQHU-UHFFFAOYSA-N 1 0 334.376 1.832 20 5 EDBDRO CC(C)(O)C[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000177044401 527345000 /nfs/dbraw/zinc/34/50/00/527345000.db2.gz DUEHFCXUSQDOOV-UHFFFAOYSA-N 1 0 334.376 1.625 20 5 EDBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000159476729 528023538 /nfs/dbraw/zinc/02/35/38/528023538.db2.gz LGPLYMDQMZHEJK-CYBMUJFWSA-N 1 0 348.403 1.627 20 5 EDBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000173992956 528290762 /nfs/dbraw/zinc/29/07/62/528290762.db2.gz BBLFYMFKBDCKMR-LBPRGKRZSA-N 1 0 345.396 1.839 20 5 EDBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729497529 578577760 /nfs/dbraw/zinc/57/77/60/578577760.db2.gz PSROOJGULFVAFN-KBPBESRZSA-N 1 0 334.376 1.257 20 5 EDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000730077935 578615846 /nfs/dbraw/zinc/61/58/46/578615846.db2.gz JNAOKIQLMLBBFB-CQSZACIVSA-N 1 0 331.376 1.497 20 5 EDBDRO CCOCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)C[C@H]1C ZINC000732038292 578688096 /nfs/dbraw/zinc/68/80/96/578688096.db2.gz IBTRNTFYSVYEOS-LLVKDONJSA-N 1 0 335.364 1.678 20 5 EDBDRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000745942245 579568112 /nfs/dbraw/zinc/56/81/12/579568112.db2.gz CAZJQHQMQUNNGW-JTQLQIEISA-N 1 0 331.369 1.354 20 5 EDBDRO C[NH+]1CCC2(CCN2C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000748325388 579679694 /nfs/dbraw/zinc/67/96/94/579679694.db2.gz IMFZHMLTRSPZAL-UHFFFAOYSA-N 1 0 343.387 1.641 20 5 EDBDRO CC(C)(O)C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000750091759 579751665 /nfs/dbraw/zinc/75/16/65/579751665.db2.gz BQZKQJXYWAWBGM-INIZCTEOSA-N 1 0 338.404 1.880 20 5 EDBDRO O=C(NCCN1CCC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000752435390 579859095 /nfs/dbraw/zinc/85/90/95/579859095.db2.gz LAIICKNIECYCKK-UHFFFAOYSA-N 1 0 326.740 1.009 20 5 EDBDRO CN(C)c1cc[nH+]c(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c1 ZINC000753013633 579870519 /nfs/dbraw/zinc/87/05/19/579870519.db2.gz QXNTZDJVEJBORJ-UHFFFAOYSA-N 1 0 344.327 1.886 20 5 EDBDRO CN(C(=O)c1c([N+](=O)[O-])cnn1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000766887994 580176249 /nfs/dbraw/zinc/17/62/49/580176249.db2.gz JFSQPBZBKVCRHB-UHFFFAOYSA-N 1 0 347.375 1.545 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C2CC(C(F)F)C2)cc1 ZINC000769490561 580238412 /nfs/dbraw/zinc/23/84/12/580238412.db2.gz FHRKNKKNJJSKMQ-UHFFFAOYSA-N 1 0 349.359 1.506 20 5 EDBDRO CC(C)OCC[NH+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776276226 580413627 /nfs/dbraw/zinc/41/36/27/580413627.db2.gz IJEOCEYJKOFIPU-KRWDZBQOSA-N 1 0 337.420 1.671 20 5 EDBDRO C[C@@H]1CN(CCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000776277530 580413740 /nfs/dbraw/zinc/41/37/40/580413740.db2.gz QGURXYSYIKQRKL-CPUCHLNUSA-N 1 0 337.420 1.717 20 5 EDBDRO CCCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776577966 580421847 /nfs/dbraw/zinc/42/18/47/580421847.db2.gz BNSWVWKKMAHICI-HOCLYGCPSA-N 1 0 335.404 1.866 20 5 EDBDRO COC[C@](C)(CC(=O)OC)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591522 580423036 /nfs/dbraw/zinc/42/30/36/580423036.db2.gz OEZKDDPFVRUCGA-ZFWWWQNUSA-N 1 0 326.349 1.186 20 5 EDBDRO C[N@@H+]1CCC[C@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000781606921 580553297 /nfs/dbraw/zinc/55/32/97/580553297.db2.gz PYIARSPPUUGWCQ-LBPRGKRZSA-N 1 0 336.348 1.646 20 5 EDBDRO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@]1(CO)CCOC1 ZINC000801538603 581079156 /nfs/dbraw/zinc/07/91/56/581079156.db2.gz KBMMSYHQWDMANQ-ZDUSSCGKSA-N 1 0 345.193 1.941 20 5 EDBDRO COCC[N@@H+]1CC[C@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC000892412986 591017755 /nfs/dbraw/zinc/01/77/55/591017755.db2.gz AKYFAPPHYGVQBU-LBPRGKRZSA-N 1 0 334.351 1.837 20 5 EDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC000892468295 591038467 /nfs/dbraw/zinc/03/84/67/591038467.db2.gz QVFJPTIPDNFVAJ-LBPRGKRZSA-N 1 0 333.367 1.362 20 5 EDBDRO C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)O2)CO1 ZINC000895818919 591280466 /nfs/dbraw/zinc/28/04/66/591280466.db2.gz UGOIPXASHPQTNS-OMCINKPGSA-N 1 0 336.392 1.811 20 5 EDBDRO O=[N+]([O-])c1c2nonc2ccc1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000894434346 591311470 /nfs/dbraw/zinc/31/14/70/591311470.db2.gz AAWALFFVWHQTBZ-LBPRGKRZSA-N 1 0 347.375 1.822 20 5 EDBDRO O=[N+]([O-])c1c(NC[C@@H]2CC[N@@H+]2C2CCOCC2)nc2ccccn21 ZINC000896517386 591488418 /nfs/dbraw/zinc/48/84/18/591488418.db2.gz XNGCGSHCYZFTBY-ZDUSSCGKSA-N 1 0 331.376 1.908 20 5 EDBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](CCCCCO)CC1 ZINC000894963855 591500488 /nfs/dbraw/zinc/50/04/88/591500488.db2.gz CYKOUPOFJSYRJY-UHFFFAOYSA-N 1 0 325.413 1.404 20 5 EDBDRO C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1C[N@H+](C)CCN1C ZINC000896563527 591526262 /nfs/dbraw/zinc/52/62/62/591526262.db2.gz LAUGAHJYWHDTHZ-BDJLRTHQSA-N 1 0 345.403 1.440 20 5 EDBDRO Cc1nn(CCC(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)c(C)c1[N+](=O)[O-] ZINC000898840657 591559122 /nfs/dbraw/zinc/55/91/22/591559122.db2.gz JLTWGDHDWHJGIQ-UONOGXRCSA-N 1 0 349.435 1.787 20 5 EDBDRO O=C(N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C12CC[NH+](CC1)C2 ZINC000900221850 591953776 /nfs/dbraw/zinc/95/37/76/591953776.db2.gz XQPNCLQRYHHFEL-UHFFFAOYSA-N 1 0 330.388 1.339 20 5 EDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000900399612 592008100 /nfs/dbraw/zinc/00/81/00/592008100.db2.gz CEOZZAFLAPKLAS-OAHLLOKOSA-N 1 0 339.417 1.721 20 5 EDBDRO O=C(N1CCC[C@]12CC[NH2+]C2)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000900489606 592032224 /nfs/dbraw/zinc/03/22/24/592032224.db2.gz XQLYEGJOPQNHJB-CQSZACIVSA-N 1 0 341.314 1.921 20 5 EDBDRO CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+](C)CC1 ZINC000903033437 592103988 /nfs/dbraw/zinc/10/39/88/592103988.db2.gz WOAQLVSBRPCMOB-UHFFFAOYSA-N 1 0 339.371 1.445 20 5 EDBDRO CO[C@]1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)C1 ZINC000903372242 592162163 /nfs/dbraw/zinc/16/21/63/592162163.db2.gz XOVBOOWJPJWUDK-RISCZKNCSA-N 1 0 328.390 1.449 20 5 EDBDRO C[NH2+]C[C@@H]1CCCCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000903528226 592206289 /nfs/dbraw/zinc/20/62/89/592206289.db2.gz FJRZBCAOUPICDW-AWEZNQCLSA-N 1 0 348.403 1.967 20 5 EDBDRO C[NH2+]C[C@@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000903530031 592207156 /nfs/dbraw/zinc/20/71/56/592207156.db2.gz KYNOCRIVIZYFEL-ZDUSSCGKSA-N 1 0 336.392 1.616 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c1C ZINC000908199976 592378146 /nfs/dbraw/zinc/37/81/46/592378146.db2.gz HEIHBWGDIJROGK-UONOGXRCSA-N 1 0 333.388 1.493 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2c3ccccc3CC[C@H]2F)c1 ZINC000905450290 592529629 /nfs/dbraw/zinc/52/96/29/592529629.db2.gz BGTLOBDNFYQQGL-BMFZPTHFSA-N 1 0 334.351 1.767 20 5 EDBDRO CC[N@@H+]1CCCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000910286209 592822194 /nfs/dbraw/zinc/82/21/94/592822194.db2.gz ZKFAWIQXKHDOIC-LBPRGKRZSA-N 1 0 337.424 1.741 20 5 EDBDRO C[NH+](C)[C@H]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906548032 592848529 /nfs/dbraw/zinc/84/85/29/592848529.db2.gz MEMYOJCVXWGGME-NSHDSACASA-N 1 0 335.360 1.532 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000906635245 592863850 /nfs/dbraw/zinc/86/38/50/592863850.db2.gz WJSFJCGFFYSODD-KGLIPLIRSA-N 1 0 335.408 1.480 20 5 EDBDRO CC(C)C[NH2+]C1(CO)CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000912588722 593106760 /nfs/dbraw/zinc/10/67/60/593106760.db2.gz JZUSWGDMVKKSKW-UHFFFAOYSA-N 1 0 329.441 1.421 20 5 EDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000783915827 593137776 /nfs/dbraw/zinc/13/77/76/593137776.db2.gz MTUUXAUYRABRIY-LBPRGKRZSA-N 1 0 344.375 1.390 20 5 EDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000842813683 593148278 /nfs/dbraw/zinc/14/82/78/593148278.db2.gz XFAQCNZYECKXGV-SECBINFHSA-N 1 0 335.813 1.833 20 5 EDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1cc3nsnc3c([N+](=O)[O-])c1)C2 ZINC000807937153 593210853 /nfs/dbraw/zinc/21/08/53/593210853.db2.gz ZFNBKSDWONNROL-UHFFFAOYSA-N 1 0 333.373 1.377 20 5 EDBDRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000808223016 593242541 /nfs/dbraw/zinc/24/25/41/593242541.db2.gz JFKIEIJDAQMDFK-NSHDSACASA-N 1 0 327.768 1.435 20 5 EDBDRO Cn1nccc1[C@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000839179769 593271959 /nfs/dbraw/zinc/27/19/59/593271959.db2.gz PODWQBZOVUQHBN-INIZCTEOSA-N 1 0 345.403 1.620 20 5 EDBDRO COC(=O)c1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)n(C)c1C ZINC000812766508 593508836 /nfs/dbraw/zinc/50/88/36/593508836.db2.gz IORFGMXVQQBSPD-UHFFFAOYSA-N 1 0 346.387 1.994 20 5 EDBDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815601224 593643940 /nfs/dbraw/zinc/64/39/40/593643940.db2.gz QKJJJKDURYSMPW-NVBFEUDRSA-N 1 0 336.392 1.463 20 5 EDBDRO O=C(NC[C@@H]1C[NH2+]CCO1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000818007423 593656437 /nfs/dbraw/zinc/65/64/37/593656437.db2.gz ACSXEHFYDVHTGP-AWEZNQCLSA-N 1 0 348.403 1.303 20 5 EDBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000818474577 593699004 /nfs/dbraw/zinc/69/90/04/593699004.db2.gz VZTFCSMBYKZVPH-FGWVZKOKSA-N 1 0 333.344 1.808 20 5 EDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000818565154 593705033 /nfs/dbraw/zinc/70/50/33/593705033.db2.gz QNTWPVGHJMPAJA-STQMWFEESA-N 1 0 348.403 1.241 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000818986188 593732592 /nfs/dbraw/zinc/73/25/92/593732592.db2.gz HPZSOZZXOOIXLT-YPMHNXCESA-N 1 0 333.310 1.854 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCOc2cccnc2)c1 ZINC000819067847 593737070 /nfs/dbraw/zinc/73/70/70/593737070.db2.gz CNOJHDIMBRPQJQ-CQSZACIVSA-N 1 0 333.344 1.398 20 5 EDBDRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819076265 593737473 /nfs/dbraw/zinc/73/74/73/593737473.db2.gz WWJRMMJUHGNILG-IIAWOOMASA-N 1 0 335.404 1.865 20 5 EDBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819095050 593738600 /nfs/dbraw/zinc/73/86/00/593738600.db2.gz RYUMKNYYLDGEMQ-CFVMTHIKSA-N 1 0 342.417 1.574 20 5 EDBDRO O=C1NCCc2ccc(C[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)cc21 ZINC000819228908 593745692 /nfs/dbraw/zinc/74/56/92/593745692.db2.gz LYZVZPMICROHEY-KRWDZBQOSA-N 1 0 341.367 1.704 20 5 EDBDRO CS(=O)(=O)C1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819276328 593748033 /nfs/dbraw/zinc/74/80/33/593748033.db2.gz IFJCWGWQWCCWKZ-ZDUSSCGKSA-N 1 0 328.390 1.185 20 5 EDBDRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819276327 593748073 /nfs/dbraw/zinc/74/80/73/593748073.db2.gz IFJCWGWQWCCWKZ-CYBMUJFWSA-N 1 0 328.390 1.185 20 5 EDBDRO Cc1c(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000819718525 593764905 /nfs/dbraw/zinc/76/49/05/593764905.db2.gz YTFVVWIUNUFTOH-XHDPSFHLSA-N 1 0 348.359 1.978 20 5 EDBDRO CCC(CC)[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[NH+](C)C ZINC000820893355 593916575 /nfs/dbraw/zinc/91/65/75/593916575.db2.gz OFIAIOYHDQMATB-LBPRGKRZSA-N 1 0 348.411 1.948 20 5 EDBDRO CC(C)(CCC(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1)[N+](=O)[O-] ZINC000827131326 594645470 /nfs/dbraw/zinc/64/54/70/594645470.db2.gz NUABADPAVULERB-CQSZACIVSA-N 1 0 327.425 1.535 20 5 EDBDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC000831595266 594686184 /nfs/dbraw/zinc/68/61/84/594686184.db2.gz OJNPYCQCPUCFMZ-HZPDHXFCSA-N 1 0 347.415 1.449 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC2(CC[NH2+]C2)CC1 ZINC000831721619 594696164 /nfs/dbraw/zinc/69/61/64/594696164.db2.gz MXISKFCYOYRARP-UHFFFAOYSA-N 1 0 343.387 1.547 20 5 EDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC[C@H]1[NH3+] ZINC000832737239 594772986 /nfs/dbraw/zinc/77/29/86/594772986.db2.gz PYVGOBRZDZAJSS-IUODEOHRSA-N 1 0 348.403 1.241 20 5 EDBDRO C[NH+]1CCN(C[C@H](O)COc2cc(F)c([N+](=O)[O-])cc2Cl)CC1 ZINC000840764505 594815553 /nfs/dbraw/zinc/81/55/53/594815553.db2.gz TXMKKINTTLNHIF-JTQLQIEISA-N 1 0 347.774 1.374 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC2(C1)OCCO2 ZINC000104083032 594835326 /nfs/dbraw/zinc/83/53/26/594835326.db2.gz RNVKEFYCBKDRIG-UHFFFAOYSA-N 1 0 335.360 1.681 20 5 EDBDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841161758 594860978 /nfs/dbraw/zinc/86/09/78/594860978.db2.gz SNDVNYNNHMICET-QMMMGPOBSA-N 1 0 326.740 1.007 20 5 EDBDRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841165440 594861723 /nfs/dbraw/zinc/86/17/23/594861723.db2.gz VUBVKKUEPUTJHH-MRVPVSSYSA-N 1 0 326.740 1.055 20 5 EDBDRO CC[C@H](C)[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000104687788 595057961 /nfs/dbraw/zinc/05/79/61/595057961.db2.gz UFTDWHKBTCIHAA-AWEZNQCLSA-N 1 0 334.420 1.974 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843352663 595084331 /nfs/dbraw/zinc/08/43/31/595084331.db2.gz JMGZSKMJNAFHSV-NSHDSACASA-N 1 0 326.784 1.871 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000843355893 595085348 /nfs/dbraw/zinc/08/53/48/595085348.db2.gz LNLBMSICBJNTAM-QMTHXVAHSA-N 1 0 340.355 1.111 20 5 EDBDRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000845891672 595090145 /nfs/dbraw/zinc/09/01/45/595090145.db2.gz WRXWOQQSWVYRLL-QWRGUYRKSA-N 1 0 328.394 1.141 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)cc1F ZINC000867296974 595107446 /nfs/dbraw/zinc/10/74/46/595107446.db2.gz YLRBMTKGQCZZNQ-SECBINFHSA-N 1 0 333.385 1.518 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000842481577 595117540 /nfs/dbraw/zinc/11/75/40/595117540.db2.gz LXANBQDGPCPGSW-IUCAKERBSA-N 1 0 333.797 1.667 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000842485000 595120636 /nfs/dbraw/zinc/12/06/36/595120636.db2.gz HFFYJDACOHTPAU-AWEZNQCLSA-N 1 0 325.390 1.420 20 5 EDBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000843498931 595132405 /nfs/dbraw/zinc/13/24/05/595132405.db2.gz WDGCWUHFYPZHHZ-BXKDBHETSA-N 1 0 336.348 1.868 20 5 EDBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H]1CC[NH2+]C12CCCC2 ZINC000843514162 595138657 /nfs/dbraw/zinc/13/86/57/595138657.db2.gz TTWVUVLAUGNTFI-HNNXBMFYSA-N 1 0 343.387 1.735 20 5 EDBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000842684317 595169611 /nfs/dbraw/zinc/16/96/11/595169611.db2.gz ZRPAERMTEQAZHH-VIFPVBQESA-N 1 0 333.797 1.539 20 5 EDBDRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000842722432 595180474 /nfs/dbraw/zinc/18/04/74/595180474.db2.gz GZFSYAUWDXHREI-OAHLLOKOSA-N 1 0 343.449 1.820 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)c1 ZINC000842723458 595181038 /nfs/dbraw/zinc/18/10/38/595181038.db2.gz DMERWOUOPWTPRB-SECBINFHSA-N 1 0 335.813 1.818 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000842790528 595200167 /nfs/dbraw/zinc/20/01/67/595200167.db2.gz JIAOCIBIFLDUPA-NXEZZACHSA-N 1 0 347.824 1.914 20 5 EDBDRO Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000867435273 595288764 /nfs/dbraw/zinc/28/87/64/595288764.db2.gz ZRDYQJRUADPATP-CQSZACIVSA-N 1 0 348.403 1.072 20 5 EDBDRO CC1(C)C(=O)N[C@H]1C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846931113 595338914 /nfs/dbraw/zinc/33/89/14/595338914.db2.gz XOXRDEFNRSLLOY-HOTGVXAUSA-N 1 0 347.415 1.865 20 5 EDBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)cc1 ZINC000846942108 595340739 /nfs/dbraw/zinc/34/07/39/595340739.db2.gz ZEJIREZMEISTFW-IAGOWNOFSA-N 1 0 335.404 1.425 20 5 EDBDRO C[NH+](C)C[C@H]1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848583889 595409650 /nfs/dbraw/zinc/40/96/50/595409650.db2.gz ZIHFCENSHDFYSP-LLVKDONJSA-N 1 0 343.330 1.977 20 5 EDBDRO C[C@@H](CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[NH+](C)C ZINC000850596467 595544435 /nfs/dbraw/zinc/54/44/35/595544435.db2.gz QCTMQVBPPDHEEQ-VIFPVBQESA-N 1 0 342.783 1.643 20 5 EDBDRO CN(C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)[C@H](C[NH3+])C1CC1 ZINC000857766723 595600907 /nfs/dbraw/zinc/60/09/07/595600907.db2.gz VQANXSDUIATDRD-GFCCVEGCSA-N 1 0 329.303 1.762 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000857768131 595601781 /nfs/dbraw/zinc/60/17/81/595601781.db2.gz NEXVKSHZMJHUEF-ZJUUUORDSA-N 1 0 329.303 1.762 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH+](C)C)CCc3ccccc32)n1 ZINC000857927674 595655646 /nfs/dbraw/zinc/65/56/46/595655646.db2.gz VNDNVAWQAJEARX-CYBMUJFWSA-N 1 0 343.387 1.852 20 5 EDBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000855361606 595685192 /nfs/dbraw/zinc/68/51/92/595685192.db2.gz BNWJYFMZGZFJAL-LBPRGKRZSA-N 1 0 336.348 1.978 20 5 EDBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855902648 595852207 /nfs/dbraw/zinc/85/22/07/595852207.db2.gz JOVXSRGUQUMTDB-BBRMVZONSA-N 1 0 335.404 1.865 20 5 EDBDRO [NH3+][C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1F ZINC000851657569 595870845 /nfs/dbraw/zinc/87/08/45/595870845.db2.gz GBRCFHSSFIQZIZ-VXGBXAGGSA-N 1 0 330.747 1.829 20 5 EDBDRO CNc1ccc(C(=O)OC[C@]2(C)C[C@@H](OC)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC000861340535 595948380 /nfs/dbraw/zinc/94/83/80/595948380.db2.gz INIRHXPLXNCHNE-WBMJQRKESA-N 1 0 337.376 1.903 20 5 EDBDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000856409228 595980727 /nfs/dbraw/zinc/98/07/27/595980727.db2.gz IZIBTIVXMXBZFI-CQSZACIVSA-N 1 0 341.452 1.924 20 5 EDBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CCO1 ZINC000856428896 595988089 /nfs/dbraw/zinc/98/80/89/595988089.db2.gz FRDTZXAMGVWIAH-CYBMUJFWSA-N 1 0 336.392 1.360 20 5 EDBDRO COCCN(CC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859224536 596009679 /nfs/dbraw/zinc/00/96/79/596009679.db2.gz AOAMVSSZMLVZTQ-UHFFFAOYSA-N 1 0 329.784 1.898 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861712803 596077237 /nfs/dbraw/zinc/07/72/37/596077237.db2.gz UMIWDJOAXKFTRT-NWDGAFQWSA-N 1 0 339.779 1.529 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000854643832 596147431 /nfs/dbraw/zinc/14/74/31/596147431.db2.gz YPIZXOGTWWYNLN-CABCVRRESA-N 1 0 337.351 1.669 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]CCC1(C)C ZINC000866699259 596298975 /nfs/dbraw/zinc/29/89/75/596298975.db2.gz FGRTVTZUTUQGNH-UHFFFAOYSA-N 1 0 336.392 1.616 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866827327 596368305 /nfs/dbraw/zinc/36/83/05/596368305.db2.gz LBBOPGGIEQRISB-UONOGXRCSA-N 1 0 339.417 1.672 20 5 EDBDRO CN(CC(=O)N1CC[N@H+](C)C(C)(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000871155676 596482427 /nfs/dbraw/zinc/48/24/27/596482427.db2.gz XYTVLMFERVLVNB-UHFFFAOYSA-N 1 0 334.420 1.974 20 5 EDBDRO CC[NH+]1CCN([C@@H](C)CNc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865442234 596576132 /nfs/dbraw/zinc/57/61/32/596576132.db2.gz KRZFTUJSPVWTFN-LBPRGKRZSA-N 1 0 340.399 1.664 20 5 EDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cs1 ZINC000119831162 596747996 /nfs/dbraw/zinc/74/79/96/596747996.db2.gz CEOZZVPGODWSQZ-LLVKDONJSA-N 1 0 345.446 1.763 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000874363050 597034033 /nfs/dbraw/zinc/03/40/33/597034033.db2.gz KCYUOSLAHQGSIO-ZIAGYGMSSA-N 1 0 346.387 1.537 20 5 EDBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000125089472 597131738 /nfs/dbraw/zinc/13/17/38/597131738.db2.gz BRTRASYIBNMLRC-UHFFFAOYSA-N 1 0 345.396 1.887 20 5 EDBDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000876553786 597237842 /nfs/dbraw/zinc/23/78/42/597237842.db2.gz XZHIPHTWXBRPOF-YHTQDMPISA-N 1 0 344.415 1.655 20 5 EDBDRO Cc1ccc(NCCCNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000876676113 597283831 /nfs/dbraw/zinc/28/38/31/597283831.db2.gz LHXTWLIPOKPMOV-SWLSCSKDSA-N 1 0 338.383 1.769 20 5 EDBDRO C[N@@H+]1CC[C@H](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000873789192 597390758 /nfs/dbraw/zinc/39/07/58/597390758.db2.gz RPTNPFLPRQVTIS-CQSZACIVSA-N 1 0 332.404 1.585 20 5 EDBDRO CCN(CC)C(=O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000876985654 597405173 /nfs/dbraw/zinc/40/51/73/597405173.db2.gz KYQHPBPNDMCLBB-UHFFFAOYSA-N 1 0 335.408 1.417 20 5 EDBDRO O=C1[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCN1CC(F)(F)F ZINC000877028576 597415869 /nfs/dbraw/zinc/41/58/69/597415869.db2.gz ZXDIRNOJJPIJJN-NWGYLPEXSA-N 1 0 347.297 1.248 20 5 EDBDRO C[C@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C[NH2+]1 ZINC000877050454 597422236 /nfs/dbraw/zinc/42/22/36/597422236.db2.gz ZVEABJMATPSZKL-QWHCGFSZSA-N 1 0 348.403 1.302 20 5 EDBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H](CO)Cc3ccc(F)cc3)C2)c1 ZINC000877117758 597437117 /nfs/dbraw/zinc/43/71/17/597437117.db2.gz UIBHMECYMLHNMX-SLTAFYQDSA-N 1 0 334.351 1.827 20 5 EDBDRO CC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)OCCCO1 ZINC000877475578 597522089 /nfs/dbraw/zinc/52/20/89/597522089.db2.gz UCCDLDCUMHXYPU-UHFFFAOYSA-N 1 0 336.392 1.701 20 5 EDBDRO CN1c2ccccc2C[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1=O ZINC000877622811 597542131 /nfs/dbraw/zinc/54/21/31/597542131.db2.gz DAWJFSGFOXYXNC-PIMMBPRGSA-N 1 0 341.371 1.672 20 5 EDBDRO C[C@]12C[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000877666744 597546138 /nfs/dbraw/zinc/54/61/38/597546138.db2.gz AUGKDICEHOERJN-GASCZTMLSA-N 1 0 337.763 1.733 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000878360927 597597792 /nfs/dbraw/zinc/59/77/92/597597792.db2.gz JLPIRJOKCJNBIO-LLVKDONJSA-N 1 0 343.387 1.969 20 5 EDBDRO C[NH2+]C[C@H]1CCCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000883449529 597751667 /nfs/dbraw/zinc/75/16/67/597751667.db2.gz VXMVZWQUTMWUNC-OAHLLOKOSA-N 1 0 332.404 1.558 20 5 EDBDRO CONC(=O)C1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000879923750 597766574 /nfs/dbraw/zinc/76/65/74/597766574.db2.gz JFNMPBXQAKJBKA-UHFFFAOYSA-N 1 0 341.339 1.632 20 5 EDBDRO CC(C)(O)[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000880146115 597856605 /nfs/dbraw/zinc/85/66/05/597856605.db2.gz KQBQKTPQSJDTPH-DOMZBBRYSA-N 1 0 333.388 1.793 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880202817 597872614 /nfs/dbraw/zinc/87/26/14/597872614.db2.gz UXUCUTTWRBFLHN-OAHLLOKOSA-N 1 0 337.424 1.333 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1 ZINC000880586061 597972246 /nfs/dbraw/zinc/97/22/46/597972246.db2.gz MTCPYJZRSBBTGH-HNNXBMFYSA-N 1 0 336.388 1.837 20 5 EDBDRO C[NH2+]C1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC000884029631 597972602 /nfs/dbraw/zinc/97/26/02/597972602.db2.gz RPMQHLXKJPIQAU-UHFFFAOYSA-N 1 0 335.360 1.580 20 5 EDBDRO C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCN1c1cc[nH+]cc1 ZINC000882821080 598070301 /nfs/dbraw/zinc/07/03/01/598070301.db2.gz KNSLEGNBUPBWAW-GFCCVEGCSA-N 1 0 339.359 1.748 20 5 EDBDRO C[NH+](C)CC(C)(C)CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000915278188 695778864 /nfs/dbraw/zinc/77/88/64/695778864.db2.gz SSCVMNLFQNHHLX-UHFFFAOYSA-N 1 0 333.392 1.649 20 5 EDBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000917655964 697056074 /nfs/dbraw/zinc/05/60/74/697056074.db2.gz WQHZRCBZGHWIOJ-CHWSQXEVSA-N 1 0 339.417 1.808 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000917654360 697059198 /nfs/dbraw/zinc/05/91/98/697059198.db2.gz FPLHLGIEIYPVLK-RYUDHWBXSA-N 1 0 325.390 1.500 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000917654589 697059223 /nfs/dbraw/zinc/05/92/23/697059223.db2.gz HSWZUOCNELNHOL-DGCLKSJQSA-N 1 0 325.390 1.500 20 5 EDBDRO CO[C@]1(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CCS(=O)(=O)C1 ZINC000922618360 704152972 /nfs/dbraw/zinc/15/29/72/704152972.db2.gz LKQUOIPNFSNJAH-HNNXBMFYSA-N 1 0 342.417 1.505 20 5 EDBDRO CCc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001002781516 709386898 /nfs/dbraw/zinc/38/68/98/709386898.db2.gz FAOKVZCHAOIYGX-IAGOWNOFSA-N 1 0 331.416 1.995 20 5 EDBDRO COCc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001002783941 709389769 /nfs/dbraw/zinc/38/97/69/709389769.db2.gz WRCXZNCSEJLCND-IAGOWNOFSA-N 1 0 347.415 1.579 20 5 EDBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc(CO)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034643229 710319385 /nfs/dbraw/zinc/31/93/85/710319385.db2.gz KQNAHCZMFWZWIV-QBPKDAKJSA-N 1 0 347.415 1.361 20 5 EDBDRO CC1([NH+]2CCC2)CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000922168782 710328514 /nfs/dbraw/zinc/32/85/14/710328514.db2.gz CKNKZSZYMHYXOB-HNNXBMFYSA-N 1 0 333.388 1.715 20 5 EDBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1nnc[nH]1 ZINC001034758006 711012149 /nfs/dbraw/zinc/01/21/49/711012149.db2.gz UAEINRHMILJVEK-JOCQHMNTSA-N 1 0 344.375 1.544 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000052895402 214153791 /nfs/dbraw/zinc/15/37/91/214153791.db2.gz JPFMYJSHCICEEC-UHFFFAOYSA-N 1 0 347.419 1.152 20 5 EDBDRO NC(=O)NC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174912123 231342669 /nfs/dbraw/zinc/34/26/69/231342669.db2.gz PMQIAPURIZOFQS-UHFFFAOYSA-N 1 0 335.364 1.056 20 5 EDBDRO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000412111352 303972767 /nfs/dbraw/zinc/97/27/67/303972767.db2.gz NTZISGMMJKGIEG-JKSUJKDBSA-N 1 0 347.415 1.925 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H](C)CC[NH+](C)C)c1F ZINC000412149598 303977529 /nfs/dbraw/zinc/97/75/29/303977529.db2.gz QIDGKWSQXPAFBV-JTQLQIEISA-N 1 0 327.356 1.741 20 5 EDBDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000103284716 219283032 /nfs/dbraw/zinc/28/30/32/219283032.db2.gz BZCISSKIJBCXRP-ZYHUDNBSSA-N 1 0 345.359 1.731 20 5 EDBDRO CC[NH+]1CCC(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000561491633 306288512 /nfs/dbraw/zinc/28/85/12/306288512.db2.gz ALNMFJOVRBEJNO-UHFFFAOYSA-N 1 0 341.433 1.913 20 5 EDBDRO Cc1c(C[NH+]2CCC(CS(N)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000104066199 219345033 /nfs/dbraw/zinc/34/50/33/219345033.db2.gz SIMMXTSPLSZSLS-UHFFFAOYSA-N 1 0 327.406 1.404 20 5 EDBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000562699301 306305883 /nfs/dbraw/zinc/30/58/83/306305883.db2.gz BBAWXEOZPVIDJX-LLVKDONJSA-N 1 0 348.359 1.055 20 5 EDBDRO COC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000183425206 235066751 /nfs/dbraw/zinc/06/67/51/235066751.db2.gz YILLISHJVLLPFD-CQSZACIVSA-N 1 0 337.376 1.947 20 5 EDBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1ccncc1[N+](=O)[O-] ZINC000183568806 235144389 /nfs/dbraw/zinc/14/43/89/235144389.db2.gz KGBJTZJHDRUBKU-LBPRGKRZSA-N 1 0 337.380 1.348 20 5 EDBDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000184091731 235303871 /nfs/dbraw/zinc/30/38/71/235303871.db2.gz UELZXEKGOYSADN-UHFFFAOYSA-N 1 0 343.449 1.645 20 5 EDBDRO Cc1sc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000184407083 235390007 /nfs/dbraw/zinc/39/00/07/235390007.db2.gz IFPRVCFCMRWMSW-LLVKDONJSA-N 1 0 340.449 1.721 20 5 EDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000563580886 306339646 /nfs/dbraw/zinc/33/96/46/306339646.db2.gz CRAXYSCCRTVFEJ-NSHDSACASA-N 1 0 339.417 1.895 20 5 EDBDRO C[C@@H]1CCC[N@@H+]1C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090564482 138279665 /nfs/dbraw/zinc/27/96/65/138279665.db2.gz VTWBYCUOUOONDH-CQSZACIVSA-N 1 0 334.420 1.705 20 5 EDBDRO CC[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000124526984 138327444 /nfs/dbraw/zinc/32/74/44/138327444.db2.gz LRSHXWHBKJVHQH-UHFFFAOYSA-N 1 0 343.405 1.366 20 5 EDBDRO CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1([NH+](C)C)CCC1 ZINC000186941413 236072799 /nfs/dbraw/zinc/07/27/99/236072799.db2.gz XYWJJRIQOJMFCB-UHFFFAOYSA-N 1 0 346.431 1.900 20 5 EDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000261907709 291121562 /nfs/dbraw/zinc/12/15/62/291121562.db2.gz XOTBWLWSRNFFGT-VHSXEESVSA-N 1 0 330.344 1.658 20 5 EDBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000264613186 283324430 /nfs/dbraw/zinc/32/44/30/283324430.db2.gz PWSBSWPSVIGGRZ-VIFPVBQESA-N 1 0 338.393 1.056 20 5 EDBDRO C[NH+](C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)cc1 ZINC000183664642 138786525 /nfs/dbraw/zinc/78/65/25/138786525.db2.gz BHTYLGSFJUSJCT-UHFFFAOYSA-N 1 0 345.359 1.765 20 5 EDBDRO C[C@@]1(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@H+](Cc2ccccc2)C1 ZINC000565062837 306374108 /nfs/dbraw/zinc/37/41/08/306374108.db2.gz ONZKYXKZGISKEZ-QGZVFWFLSA-N 1 0 343.387 1.572 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000107629860 219792201 /nfs/dbraw/zinc/79/22/01/219792201.db2.gz FWAMFHAQWGYAPJ-AWEZNQCLSA-N 1 0 335.408 1.577 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000123024538 296028105 /nfs/dbraw/zinc/02/81/05/296028105.db2.gz ZRYZBFNJEJOYGD-MWLCHTKSSA-N 1 0 331.369 1.624 20 5 EDBDRO COc1cc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000565429607 306383981 /nfs/dbraw/zinc/38/39/81/306383981.db2.gz DJINWDPJSGYIAH-NXEZZACHSA-N 1 0 329.378 1.104 20 5 EDBDRO CC(C)[C@@H]1[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCOCC2 ZINC000414183492 304104820 /nfs/dbraw/zinc/10/48/20/304104820.db2.gz NGLLZOAEAQITHY-GJZGRUSLSA-N 1 0 338.408 1.289 20 5 EDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000109966994 220005819 /nfs/dbraw/zinc/00/58/19/220005819.db2.gz UQDPWQSPDMSDLP-OAHLLOKOSA-N 1 0 348.403 1.315 20 5 EDBDRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000190685913 138895363 /nfs/dbraw/zinc/89/53/63/138895363.db2.gz RZWGKYKSBYVHSC-UHFFFAOYSA-N 1 0 348.403 1.868 20 5 EDBDRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000237208311 139044280 /nfs/dbraw/zinc/04/42/80/139044280.db2.gz LZNCKXNKMVVVBW-ZDUSSCGKSA-N 1 0 341.433 1.832 20 5 EDBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000567470159 306453143 /nfs/dbraw/zinc/45/31/43/306453143.db2.gz RLKOLJCMRPEHPJ-CABCVRRESA-N 1 0 337.351 1.702 20 5 EDBDRO Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCCCC[NH3+])ccc1[N+](=O)[O-] ZINC000237695639 139058091 /nfs/dbraw/zinc/05/80/91/139058091.db2.gz BDFXZSIWNTWGCK-HNNXBMFYSA-N 1 0 348.403 1.363 20 5 EDBDRO Nc1c(C(=O)N2CCC(OCCC[NH3+])CC2)cc(F)cc1[N+](=O)[O-] ZINC000237823956 139061247 /nfs/dbraw/zinc/06/12/47/139061247.db2.gz JFPFITOFRRRKKR-UHFFFAOYSA-N 1 0 340.355 1.286 20 5 EDBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000245409725 139072597 /nfs/dbraw/zinc/07/25/97/139072597.db2.gz NSPFFEFAQIQNAZ-NEPJUHHUSA-N 1 0 334.376 1.509 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)CC[NH+](C)C)cc1C ZINC000266033344 248050247 /nfs/dbraw/zinc/05/02/47/248050247.db2.gz SOSOXIOAOULBQH-GFCCVEGCSA-N 1 0 329.422 1.830 20 5 EDBDRO C[C@@H](CN1CCCCC1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000568618050 306485075 /nfs/dbraw/zinc/48/50/75/306485075.db2.gz HBKXDSCCZBPLIA-GJZGRUSLSA-N 1 0 337.420 1.799 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000415392223 304212395 /nfs/dbraw/zinc/21/23/95/304212395.db2.gz IWPQQJKUJZZJGL-GFCCVEGCSA-N 1 0 348.403 1.736 20 5 EDBDRO CC[C@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248624728 139168929 /nfs/dbraw/zinc/16/89/29/139168929.db2.gz OTJGKQDJRLPVFE-DOTOQJQBSA-N 1 0 330.388 1.989 20 5 EDBDRO CCNS(=O)(=O)[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000092843435 218176592 /nfs/dbraw/zinc/17/65/92/218176592.db2.gz JYUJYWWRCXXYRN-CQSZACIVSA-N 1 0 327.406 1.151 20 5 EDBDRO CC[N@H+](CCNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)C1CC1 ZINC000092992178 218184556 /nfs/dbraw/zinc/18/45/56/218184556.db2.gz YIEVJIJZBBKYNP-UHFFFAOYSA-N 1 0 345.396 1.805 20 5 EDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH3+] ZINC000251626370 139202061 /nfs/dbraw/zinc/20/20/61/139202061.db2.gz FEVCYAOWPJBLDX-LDYMZIIASA-N 1 0 333.797 1.606 20 5 EDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000261688907 139217717 /nfs/dbraw/zinc/21/77/17/139217717.db2.gz IJFMOSMBNKPIFS-NEPJUHHUSA-N 1 0 329.360 1.590 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)c([N+](=O)[O-])c1 ZINC000261735278 139221767 /nfs/dbraw/zinc/22/17/67/139221767.db2.gz ORGTUUADWBZECQ-ZDUSSCGKSA-N 1 0 343.405 1.270 20 5 EDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1([NH3+])CCOCC1 ZINC000261760622 139223868 /nfs/dbraw/zinc/22/38/68/139223868.db2.gz FVMYOAWGEQZMON-UHFFFAOYSA-N 1 0 327.768 1.715 20 5 EDBDRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000261785016 139225889 /nfs/dbraw/zinc/22/58/89/139225889.db2.gz HTZZJZNRZIFCPB-LBPRGKRZSA-N 1 0 346.309 1.161 20 5 EDBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261879385 139233573 /nfs/dbraw/zinc/23/35/73/139233573.db2.gz MKGGJUCIRNYQLR-ZDUSSCGKSA-N 1 0 338.795 1.368 20 5 EDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000261907704 139235936 /nfs/dbraw/zinc/23/59/36/139235936.db2.gz XOTBWLWSRNFFGT-NXEZZACHSA-N 1 0 330.344 1.658 20 5 EDBDRO C[C@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[C@@H]1[NH3+] ZINC000261985477 139241885 /nfs/dbraw/zinc/24/18/85/139241885.db2.gz JUXPHKOAKLIIML-RYUDHWBXSA-N 1 0 329.360 1.590 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000415510417 250979178 /nfs/dbraw/zinc/97/91/78/250979178.db2.gz YWVGJFMXIOKKLH-NEPJUHHUSA-N 1 0 338.364 1.573 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000415765783 251022986 /nfs/dbraw/zinc/02/29/86/251022986.db2.gz RHRDREHORDKSMY-HNNXBMFYSA-N 1 0 347.419 1.669 20 5 EDBDRO Cc1ccc(NC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415570455 304227925 /nfs/dbraw/zinc/22/79/25/304227925.db2.gz LRBLJXKZEJZDCX-INIZCTEOSA-N 1 0 334.376 1.348 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000417174773 251143946 /nfs/dbraw/zinc/14/39/46/251143946.db2.gz IIOWDOUFGSDYBM-AAEUAGOBSA-N 1 0 336.392 1.920 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC000262393523 139275832 /nfs/dbraw/zinc/27/58/32/139275832.db2.gz BPAPBGANRGBDRM-BXKDBHETSA-N 1 0 345.808 1.621 20 5 EDBDRO CC1(C)CCC[NH2+][C@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262426769 139278377 /nfs/dbraw/zinc/27/83/77/139278377.db2.gz FMPDTTQRRPQPSQ-ZDUSSCGKSA-N 1 0 327.406 1.651 20 5 EDBDRO Cc1ccc(NCCCNC(=O)N(C)C2CC([NH3+])C2)c([N+](=O)[O-])c1 ZINC000417717099 251239379 /nfs/dbraw/zinc/23/93/79/251239379.db2.gz MLQAJVLZODPWBO-UHFFFAOYSA-N 1 0 335.408 1.836 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000262516282 139283697 /nfs/dbraw/zinc/28/36/97/139283697.db2.gz NMUACKLCNSALBV-NWDGAFQWSA-N 1 0 325.390 1.276 20 5 EDBDRO C[C@@H](NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000418774642 251429184 /nfs/dbraw/zinc/42/91/84/251429184.db2.gz DHKBJTHJTGLWAB-YPMHNXCESA-N 1 0 334.376 1.030 20 5 EDBDRO [NH3+]CCN(CCc1ccccc1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000420239300 251654047 /nfs/dbraw/zinc/65/40/47/251654047.db2.gz KGMKMHOMQSNFAV-UHFFFAOYSA-N 1 0 326.360 1.645 20 5 EDBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@@H](CC[NH3+])C(F)F ZINC000420267294 251664463 /nfs/dbraw/zinc/66/44/63/251664463.db2.gz RKNIEDFUOJCBRT-JTQLQIEISA-N 1 0 326.303 1.968 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420346894 251688062 /nfs/dbraw/zinc/68/80/62/251688062.db2.gz ZJXAZIWQVAXYOG-SWLSCSKDSA-N 1 0 346.387 1.577 20 5 EDBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000153127617 224062603 /nfs/dbraw/zinc/06/26/03/224062603.db2.gz XXFFSRWUHMXJTM-WOSRLPQWSA-N 1 0 333.388 1.935 20 5 EDBDRO COC(=O)c1cc(NC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c(C)c([N+](=O)[O-])c1 ZINC000415604385 304237324 /nfs/dbraw/zinc/23/73/24/304237324.db2.gz VWMIUXBGZFGSTR-KCJUWKMLSA-N 1 0 336.348 1.501 20 5 EDBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423932734 252105397 /nfs/dbraw/zinc/10/53/97/252105397.db2.gz PQJJKLTWZIPEQE-DLBZAZTESA-N 1 0 341.367 1.845 20 5 EDBDRO COc1ccc(CN2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000424299814 252191944 /nfs/dbraw/zinc/19/19/44/252191944.db2.gz SWOWEXGXRIKZCC-UONOGXRCSA-N 1 0 331.376 1.264 20 5 EDBDRO Cn1cc([C@@H]2CN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C[C@H]2[NH3+])cn1 ZINC000424416351 252220083 /nfs/dbraw/zinc/22/00/83/252220083.db2.gz LLFBGVPTQBTGMW-UONOGXRCSA-N 1 0 348.338 1.426 20 5 EDBDRO C[C@@H]1C[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000262977760 139316362 /nfs/dbraw/zinc/31/63/62/139316362.db2.gz YIECASRLRHDVLH-NXEZZACHSA-N 1 0 330.344 1.719 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000375774596 285125647 /nfs/dbraw/zinc/12/56/47/285125647.db2.gz MPIKYBNJIVKMQF-ZFWWWQNUSA-N 1 0 336.348 1.538 20 5 EDBDRO [NH3+][C@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415690444 304256904 /nfs/dbraw/zinc/25/69/04/304256904.db2.gz DPYCDERRBHAABA-QMMMGPOBSA-N 1 0 329.154 1.922 20 5 EDBDRO O=[N+]([O-])c1ccc2nc(N3CCN([C@H]4CC[NH2+]C4)CC3)ccc2c1 ZINC000261603282 285148915 /nfs/dbraw/zinc/14/89/15/285148915.db2.gz BYPNBTJTAZCHPR-HNNXBMFYSA-N 1 0 327.388 1.627 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CCO)C(C)(C)C ZINC000183679080 533138905 /nfs/dbraw/zinc/13/89/05/533138905.db2.gz UNMTUOVSMGVZSS-CQSZACIVSA-N 1 0 339.392 1.929 20 5 EDBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000488754026 255052655 /nfs/dbraw/zinc/05/26/55/255052655.db2.gz OFPKUXDPPOFOSQ-VXGBXAGGSA-N 1 0 335.360 1.596 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000491508897 255127380 /nfs/dbraw/zinc/12/73/80/255127380.db2.gz ZKBHBOONDANBCM-HVHJFMEUSA-N 1 0 333.388 1.835 20 5 EDBDRO C[N@@H+]1CCN(CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000493328886 255204446 /nfs/dbraw/zinc/20/44/46/255204446.db2.gz XMHLPDASKVTFJK-TWGQIWQCSA-N 1 0 346.431 1.750 20 5 EDBDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000495544347 255298005 /nfs/dbraw/zinc/29/80/05/255298005.db2.gz UVWKAMZYSCCJHV-NEPJUHHUSA-N 1 0 339.396 1.675 20 5 EDBDRO Cc1c(NC(=O)C(=O)NCCC[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000415798145 304273466 /nfs/dbraw/zinc/27/34/66/304273466.db2.gz AECNKZKKMFLDGW-LBPRGKRZSA-N 1 0 334.376 1.490 20 5 EDBDRO C[NH+](C)CCCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000117231063 221038126 /nfs/dbraw/zinc/03/81/26/221038126.db2.gz WSJCAXQHWVNCEU-UHFFFAOYSA-N 1 0 342.783 1.046 20 5 EDBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000347378614 533382098 /nfs/dbraw/zinc/38/20/98/533382098.db2.gz POONFWBYEPBTJO-XFXZXTDPSA-N 1 0 344.371 1.672 20 5 EDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](CCO)CCN1CCOCC1 ZINC000347379762 533407045 /nfs/dbraw/zinc/40/70/45/533407045.db2.gz WMHUXRHHRKJGJF-DTQAZKPQSA-N 1 0 349.431 1.625 20 5 EDBDRO C[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000266157291 139517835 /nfs/dbraw/zinc/51/78/35/139517835.db2.gz IDQMRJKJSDNJDC-IUODEOHRSA-N 1 0 348.403 1.123 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000193419370 291991579 /nfs/dbraw/zinc/99/15/79/291991579.db2.gz QAXUXXCYZQABCF-NXEZZACHSA-N 1 0 347.824 1.833 20 5 EDBDRO O=C1NC(=O)C2(CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)N1 ZINC000270563157 140124429 /nfs/dbraw/zinc/12/44/29/140124429.db2.gz XZYLKAUWAYSLIS-UHFFFAOYSA-N 1 0 338.751 1.422 20 5 EDBDRO C[C@@]1(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCC[NH2+]C1 ZINC000272950989 140535241 /nfs/dbraw/zinc/53/52/41/140535241.db2.gz DQVWPWPNLZTWQX-QGZVFWFLSA-N 1 0 343.387 1.900 20 5 EDBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000331782753 141080426 /nfs/dbraw/zinc/08/04/26/141080426.db2.gz SMZOGTJECHPIPS-MJBXVCDLSA-N 1 0 335.408 1.655 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000416389654 304314473 /nfs/dbraw/zinc/31/44/73/304314473.db2.gz NAVXICIBOFPZBD-CYBMUJFWSA-N 1 0 341.433 1.926 20 5 EDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000345013297 143039385 /nfs/dbraw/zinc/03/93/85/143039385.db2.gz QRPXBLMHNNWHFM-ZOWXZIJZSA-N 1 0 348.403 1.312 20 5 EDBDRO C[C@@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000345143770 143057031 /nfs/dbraw/zinc/05/70/31/143057031.db2.gz FNRVGFKRIIQYQX-ZYHUDNBSSA-N 1 0 327.406 1.385 20 5 EDBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H](C)C1 ZINC000346157642 143173423 /nfs/dbraw/zinc/17/34/23/143173423.db2.gz CETYCOSWEFSVFC-ZOWXZIJZSA-N 1 0 332.404 1.979 20 5 EDBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000346469361 143208241 /nfs/dbraw/zinc/20/82/41/143208241.db2.gz BBOMJIRLTCGXHG-SMDDNHRTSA-N 1 0 343.405 1.030 20 5 EDBDRO Cc1nn(C)c(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)c1[N+](=O)[O-] ZINC000347339192 143310565 /nfs/dbraw/zinc/31/05/65/143310565.db2.gz NVAKENBWRFMDDO-BONVTDFDSA-N 1 0 348.363 1.613 20 5 EDBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@H](O)CO)cc1[N+](=O)[O-] ZINC000347530813 143331938 /nfs/dbraw/zinc/33/19/38/143331938.db2.gz VGLGINDWELWRDZ-HNNXBMFYSA-N 1 0 331.372 1.806 20 5 EDBDRO COC[C@@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000347789043 143363402 /nfs/dbraw/zinc/36/34/02/143363402.db2.gz SACAJSAHGMEHMC-CYBMUJFWSA-N 1 0 335.360 1.907 20 5 EDBDRO COc1cc(S(=O)(=O)NCCC[NH2+]C(C)C)ccc1[N+](=O)[O-] ZINC000572642244 306596455 /nfs/dbraw/zinc/59/64/55/306596455.db2.gz VGYWMCLRXGTIDY-UHFFFAOYSA-N 1 0 331.394 1.270 20 5 EDBDRO CCOC(=O)c1ccnc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000420267569 285968746 /nfs/dbraw/zinc/96/87/46/285968746.db2.gz GWXGZYNLUSUVPW-OLZOCXBDSA-N 1 0 348.403 1.992 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000355343287 150225725 /nfs/dbraw/zinc/22/57/25/150225725.db2.gz ZCBQYBCAJZPYDJ-HUUCEWRRSA-N 1 0 337.351 1.669 20 5 EDBDRO CC[C@H]1COCCN1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355606651 150334148 /nfs/dbraw/zinc/33/41/48/150334148.db2.gz LYMDDMDWXRTDPL-ZDUSSCGKSA-N 1 0 338.360 1.757 20 5 EDBDRO CC[C@@H]1C[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@H]1O ZINC000355753295 150386751 /nfs/dbraw/zinc/38/67/51/150386751.db2.gz ZLUMCLYVVAAZNU-TZMCWYRMSA-N 1 0 338.360 1.349 20 5 EDBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000357967951 151214842 /nfs/dbraw/zinc/21/48/42/151214842.db2.gz ZZJOIDWLNJMCHO-TZMCWYRMSA-N 1 0 343.387 1.894 20 5 EDBDRO C[N@@H+]1CC[C@](O)(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000358176070 151295354 /nfs/dbraw/zinc/29/53/54/151295354.db2.gz WDWQLJORVGMZGX-AWEZNQCLSA-N 1 0 331.319 1.352 20 5 EDBDRO COc1ccc(NC(=O)[C@H](C)N2C[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000359294669 151674571 /nfs/dbraw/zinc/67/45/71/151674571.db2.gz AKDNCYDEVSGDGQ-SRVKXCTJSA-N 1 0 334.376 1.082 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c(Cl)c1 ZINC000370102804 155325768 /nfs/dbraw/zinc/32/57/68/155325768.db2.gz PISAZMRXLVRPNK-JOYOIKCWSA-N 1 0 345.808 1.621 20 5 EDBDRO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000360650283 152138525 /nfs/dbraw/zinc/13/85/25/152138525.db2.gz CFZKCCXKJAEAQG-GHMZBOCLSA-N 1 0 343.405 1.364 20 5 EDBDRO C[C@H]1C[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000360664171 152144229 /nfs/dbraw/zinc/14/42/29/152144229.db2.gz GECMQQXPVWPRHM-AAEUAGOBSA-N 1 0 327.406 1.497 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2C[C@@H]2C2CC[NH2+]CC2)cc([N+](=O)[O-])c1OC ZINC000361077879 152296379 /nfs/dbraw/zinc/29/63/79/152296379.db2.gz DGURCGZIMKEHMO-CHWSQXEVSA-N 1 0 349.387 1.730 20 5 EDBDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000363875492 153082763 /nfs/dbraw/zinc/08/27/63/153082763.db2.gz ZTDNLUSGJLPPFV-SNPRPXQTSA-N 1 0 348.403 1.609 20 5 EDBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000364074892 153138909 /nfs/dbraw/zinc/13/89/09/153138909.db2.gz UNRNBRUGKLSEEB-UKRRQHHQSA-N 1 0 349.387 1.031 20 5 EDBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000364502720 153254286 /nfs/dbraw/zinc/25/42/86/153254286.db2.gz NWFORXNRYDRWQM-HNNXBMFYSA-N 1 0 346.387 1.149 20 5 EDBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000365295545 153475150 /nfs/dbraw/zinc/47/51/50/153475150.db2.gz LJHSGVHCPZBVNU-OCCSQVGLSA-N 1 0 325.390 1.108 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)CCC[NH3+] ZINC000319875283 286384820 /nfs/dbraw/zinc/38/48/20/286384820.db2.gz WXWDJEUMAIOOPA-UHFFFAOYSA-N 1 0 331.394 1.399 20 5 EDBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000417236288 304386715 /nfs/dbraw/zinc/38/67/15/304386715.db2.gz TZNBSAGOVLZREH-FVQBIDKESA-N 1 0 332.404 1.906 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)n1 ZINC000367551241 154171370 /nfs/dbraw/zinc/17/13/70/154171370.db2.gz YNYCDGXYADYFRI-QMTHXVAHSA-N 1 0 349.416 1.813 20 5 EDBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000367650786 154214301 /nfs/dbraw/zinc/21/43/01/154214301.db2.gz KJKUEFYYZQMROZ-LBPRGKRZSA-N 1 0 329.360 1.652 20 5 EDBDRO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[C@H](c2n[nH]cc2C[NH+]2CCCC2)C1 ZINC000367841119 154294643 /nfs/dbraw/zinc/29/46/43/154294643.db2.gz JLWJPCUHUAEQGA-CFVMTHIKSA-N 1 0 347.419 1.377 20 5 EDBDRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000367916951 154323993 /nfs/dbraw/zinc/32/39/93/154323993.db2.gz KFIDRAQWPGYTFO-QWHCGFSZSA-N 1 0 333.392 1.892 20 5 EDBDRO CN1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccc(F)cc1 ZINC000368075643 154398339 /nfs/dbraw/zinc/39/83/39/154398339.db2.gz RDCYWELDGDUEKQ-HOTGVXAUSA-N 1 0 333.367 1.965 20 5 EDBDRO O=C1CNC(=O)N1CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417348395 304393748 /nfs/dbraw/zinc/39/37/48/304393748.db2.gz YEXPCNGOZMZFCV-AWEZNQCLSA-N 1 0 332.360 1.504 20 5 EDBDRO C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000371481072 155964583 /nfs/dbraw/zinc/96/45/83/155964583.db2.gz SVZFPBRRIAJHHD-XTQGRXLLSA-N 1 0 346.387 1.966 20 5 EDBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)C2)CC1 ZINC000371888388 156152872 /nfs/dbraw/zinc/15/28/72/156152872.db2.gz OMESBMWRAKOFOF-GFCCVEGCSA-N 1 0 333.392 1.376 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000374420178 157284922 /nfs/dbraw/zinc/28/49/22/157284922.db2.gz KDLHYZJDWBFGQB-OIISXLGYSA-N 1 0 347.415 1.847 20 5 EDBDRO O=C(Nc1ccccn1)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000377938876 158033461 /nfs/dbraw/zinc/03/34/61/158033461.db2.gz IVEYXTHMLFYGJK-ZDUSSCGKSA-N 1 0 344.375 1.537 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378237007 158118394 /nfs/dbraw/zinc/11/83/94/158118394.db2.gz ZFUGQMZUNOWLEY-KBPBESRZSA-N 1 0 335.408 1.480 20 5 EDBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000408051151 158250589 /nfs/dbraw/zinc/25/05/89/158250589.db2.gz IIGLLUISTXKCBC-UPJWGTAASA-N 1 0 335.408 1.806 20 5 EDBDRO [NH3+]CCC[C@@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000417915493 304430761 /nfs/dbraw/zinc/43/07/61/304430761.db2.gz TUUFQPAXODNTLC-OAHLLOKOSA-N 1 0 346.391 1.571 20 5 EDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000366433207 162381700 /nfs/dbraw/zinc/38/17/00/162381700.db2.gz CTVPUXJAJUKZPO-BZUAXINKSA-N 1 0 333.388 1.919 20 5 EDBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000159329731 225195987 /nfs/dbraw/zinc/19/59/87/225195987.db2.gz XQZXEZDBSONNMV-UHFFFAOYSA-N 1 0 329.360 1.666 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1(C[NH3+])CCCC1 ZINC000124044122 222369050 /nfs/dbraw/zinc/36/90/50/222369050.db2.gz BGVPKXXDCXNWGK-UHFFFAOYSA-N 1 0 327.406 1.761 20 5 EDBDRO C[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@H]1C[NH3+] ZINC000237425763 273010130 /nfs/dbraw/zinc/01/01/30/273010130.db2.gz CJDIJDQXGAAKJS-BMIGLBTASA-N 1 0 344.371 1.636 20 5 EDBDRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261757206 273017230 /nfs/dbraw/zinc/01/72/30/273017230.db2.gz QQGOXQHMDGIKTO-CYBMUJFWSA-N 1 0 327.406 1.402 20 5 EDBDRO O=C(CN1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000037395743 267386663 /nfs/dbraw/zinc/38/66/63/267386663.db2.gz YZGGPAWRJGVCLI-UHFFFAOYSA-N 1 0 343.181 1.201 20 5 EDBDRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000124942467 267453289 /nfs/dbraw/zinc/45/32/89/267453289.db2.gz VJIPFABXIHCSES-LLVKDONJSA-N 1 0 333.385 1.728 20 5 EDBDRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000236798994 267918113 /nfs/dbraw/zinc/91/81/13/267918113.db2.gz FQIIHSAXLZFLKY-AWEZNQCLSA-N 1 0 329.422 1.730 20 5 EDBDRO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000273016273 267962510 /nfs/dbraw/zinc/96/25/10/267962510.db2.gz SCUCFPILXQYQCH-NHYWBVRUSA-N 1 0 332.360 1.156 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000274716955 268190297 /nfs/dbraw/zinc/19/02/97/268190297.db2.gz ASBQFIKZSRSZSA-LBPRGKRZSA-N 1 0 348.384 1.518 20 5 EDBDRO C[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000275424336 268340869 /nfs/dbraw/zinc/34/08/69/268340869.db2.gz DFNCGQPLLFACGC-JTQLQIEISA-N 1 0 339.421 1.585 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000275444284 268343342 /nfs/dbraw/zinc/34/33/42/268343342.db2.gz WWAIKRSHZBJIHA-UWVGGRQHSA-N 1 0 325.394 1.195 20 5 EDBDRO COCCO[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000275508081 268353142 /nfs/dbraw/zinc/35/31/42/268353142.db2.gz HQZDTIJSAVDULG-KBPBESRZSA-N 1 0 340.376 1.072 20 5 EDBDRO C[C@@H]1C[C@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000273465476 273041596 /nfs/dbraw/zinc/04/15/96/273041596.db2.gz JDMNONCGNBIJPF-ZJUUUORDSA-N 1 0 340.405 1.279 20 5 EDBDRO O=C(NCC[N@@H+]1CCCOCC1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000275903477 273132822 /nfs/dbraw/zinc/13/28/22/273132822.db2.gz SDKFSPRMMVYKIA-UHFFFAOYSA-N 1 0 332.360 1.528 20 5 EDBDRO COCC[N@H+](C)CCCNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000276501365 273167403 /nfs/dbraw/zinc/16/74/03/273167403.db2.gz CHWDWCKEYNMZLL-UHFFFAOYSA-N 1 0 326.353 1.157 20 5 EDBDRO CCC[C@@]1(CO)CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000277821193 273229304 /nfs/dbraw/zinc/22/93/04/273229304.db2.gz QWVGPKTVTMYYND-WBVHZDCISA-N 1 0 338.404 1.962 20 5 EDBDRO COc1ccc(S(=O)(=O)NC2(C[NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000281563104 273492620 /nfs/dbraw/zinc/49/26/20/273492620.db2.gz PAULQDGUOXIKCK-UHFFFAOYSA-N 1 0 343.405 1.366 20 5 EDBDRO CN1C(=O)C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)cc1 ZINC000368462352 273865390 /nfs/dbraw/zinc/86/53/90/273865390.db2.gz NSXYPILJQSSUDH-GOEBONIOSA-N 1 0 347.350 1.492 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000283890699 273999681 /nfs/dbraw/zinc/99/96/81/273999681.db2.gz IUDPGHJFXASYIG-UHFFFAOYSA-N 1 0 337.376 1.180 20 5 EDBDRO Cn1cc([C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C(N)=O)cn1 ZINC000284534682 274236499 /nfs/dbraw/zinc/23/64/99/274236499.db2.gz HEIDHCOZMVRNKO-KGLIPLIRSA-N 1 0 329.360 1.029 20 5 EDBDRO C[N@@H+]1CC[C@@H]2OCCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[C@@H]2C1 ZINC000284540082 274238256 /nfs/dbraw/zinc/23/82/56/274238256.db2.gz LPJSGTPFNLHJIX-CVEARBPZSA-N 1 0 346.387 1.389 20 5 EDBDRO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000188012552 274319138 /nfs/dbraw/zinc/31/91/38/274319138.db2.gz VLXWHGCIMJBCLO-ACJLOTCBSA-N 1 0 347.415 1.967 20 5 EDBDRO C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000367174951 274362171 /nfs/dbraw/zinc/36/21/71/274362171.db2.gz XYRMWWIIRYVDTD-CYBMUJFWSA-N 1 0 333.436 1.782 20 5 EDBDRO CC[NH+](CC)C[C@@H](C)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000341711351 276102453 /nfs/dbraw/zinc/10/24/53/276102453.db2.gz ZNMMBPFNAMXNCC-GFCCVEGCSA-N 1 0 336.392 1.171 20 5 EDBDRO CC[NH2+]CC1CCN(c2nccc(C(=O)OCC)c2[N+](=O)[O-])CC1 ZINC000420196035 276419932 /nfs/dbraw/zinc/41/99/32/276419932.db2.gz AJMKEAUONDQKMS-UHFFFAOYSA-N 1 0 336.392 1.992 20 5 EDBDRO C[NH+]1CCC([C@@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C2)CC1 ZINC000374297970 277033132 /nfs/dbraw/zinc/03/31/32/277033132.db2.gz SNWIXTRLHBWXOJ-CYBMUJFWSA-N 1 0 330.392 1.806 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)C[C@@H]21 ZINC000378491052 277143748 /nfs/dbraw/zinc/14/37/48/277143748.db2.gz FHEPTLKNIRKKPS-MFKMUULPSA-N 1 0 333.344 1.490 20 5 EDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000367066611 277280642 /nfs/dbraw/zinc/28/06/42/277280642.db2.gz KDNCPXGZHFNPNI-RYUDHWBXSA-N 1 0 345.396 1.532 20 5 EDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000193328869 277294983 /nfs/dbraw/zinc/29/49/83/277294983.db2.gz ZOHXFXNGFPJHJM-GFCCVEGCSA-N 1 0 327.406 1.584 20 5 EDBDRO C[C@H](C[NH3+])N(C)c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000420189972 279293484 /nfs/dbraw/zinc/29/34/84/279293484.db2.gz QEDOBVXCRIJYIT-SECBINFHSA-N 1 0 337.767 1.578 20 5 EDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000186807705 279737601 /nfs/dbraw/zinc/73/76/01/279737601.db2.gz AYGZPBRSUAFEPP-GXTWGEPZSA-N 1 0 332.404 1.923 20 5 EDBDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000159983731 279857303 /nfs/dbraw/zinc/85/73/03/279857303.db2.gz URVIWCXAGQJNJN-LBPRGKRZSA-N 1 0 341.795 1.825 20 5 EDBDRO COc1cc(C(=O)N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000287292809 288202139 /nfs/dbraw/zinc/20/21/39/288202139.db2.gz UTXKBNGINDAKOB-QMMMGPOBSA-N 1 0 347.318 1.885 20 5 EDBDRO O=C(c1cc(NC[C@@H]2C[NH2+]CCCO2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000420283067 280167130 /nfs/dbraw/zinc/16/71/30/280167130.db2.gz XEVUOFHINBGGRT-AWEZNQCLSA-N 1 0 348.403 1.621 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000291855202 289197703 /nfs/dbraw/zinc/19/77/03/289197703.db2.gz IFGVXCRBRPUQEC-OAHLLOKOSA-N 1 0 339.417 1.620 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291889528 289206912 /nfs/dbraw/zinc/20/69/12/289206912.db2.gz QPSHGWAJFUTVAE-ZIAGYGMSSA-N 1 0 332.360 1.478 20 5 EDBDRO COC[C@]1(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCC[NH2+]1 ZINC000418660680 304526947 /nfs/dbraw/zinc/52/69/47/304526947.db2.gz YHGNREXUQCNZRG-QGZVFWFLSA-N 1 0 348.403 1.431 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000420434942 301424550 /nfs/dbraw/zinc/42/45/50/301424550.db2.gz RSQRPQIRCSKTHS-VXGBXAGGSA-N 1 0 327.406 1.630 20 5 EDBDRO Cc1cc(C)c(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000420437796 304757961 /nfs/dbraw/zinc/75/79/61/304757961.db2.gz CWWBEZLXMPBFEM-LBPRGKRZSA-N 1 0 349.359 1.487 20 5 EDBDRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420466450 304761841 /nfs/dbraw/zinc/76/18/41/304761841.db2.gz WDSLTRDFORPSCU-HIFRSBDPSA-N 1 0 341.433 1.574 20 5 EDBDRO CC1(C)OCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000293655604 302998955 /nfs/dbraw/zinc/99/89/55/302998955.db2.gz IUWSXWFKHBVYFM-ZDUSSCGKSA-N 1 0 343.405 1.030 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000293981098 303047078 /nfs/dbraw/zinc/04/70/78/303047078.db2.gz VOZBIEVLAIUANR-LSDHHAIUSA-N 1 0 337.351 1.669 20 5 EDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])ccc3C)[C@H]2C1 ZINC000294005874 303050670 /nfs/dbraw/zinc/05/06/70/303050670.db2.gz XXYNDOSSMKMVBL-JKSUJKDBSA-N 1 0 333.388 1.838 20 5 EDBDRO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000294530179 303119930 /nfs/dbraw/zinc/11/99/30/303119930.db2.gz IVLKEVIALVLYDZ-CYBMUJFWSA-N 1 0 329.360 1.761 20 5 EDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000296257917 303306145 /nfs/dbraw/zinc/30/61/45/303306145.db2.gz NYQSXSQFJZKRJM-UHFFFAOYSA-N 1 0 339.396 1.779 20 5 EDBDRO COC[C@@]1(C)CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000296669142 303329507 /nfs/dbraw/zinc/32/95/07/303329507.db2.gz KOQUDEOOUVBFDC-INIZCTEOSA-N 1 0 337.376 1.900 20 5 EDBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000297413642 303396448 /nfs/dbraw/zinc/39/64/48/303396448.db2.gz QZTKJIWTUGNIGQ-TZMCWYRMSA-N 1 0 348.403 1.383 20 5 EDBDRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000365719484 303476357 /nfs/dbraw/zinc/47/63/57/303476357.db2.gz SDFHVBGZTGGBAJ-RTCCRHLQSA-N 1 0 345.808 1.891 20 5 EDBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298154796 303501952 /nfs/dbraw/zinc/50/19/52/303501952.db2.gz DALOWCCIEIVCAI-ZDUSSCGKSA-N 1 0 347.371 1.918 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000299323389 303607602 /nfs/dbraw/zinc/60/76/02/303607602.db2.gz NKDZUEQWYXBFOW-MLGOLLRUSA-N 1 0 337.424 1.726 20 5 EDBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000299486611 303621559 /nfs/dbraw/zinc/62/15/59/303621559.db2.gz BDRWHQGLKFZTMR-GJZGRUSLSA-N 1 0 333.436 1.985 20 5 EDBDRO Cc1ccnc(N2CCC(C(=O)NCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000301272103 303669693 /nfs/dbraw/zinc/66/96/93/303669693.db2.gz HYWWOKPLTLYDLW-UHFFFAOYSA-N 1 0 335.408 1.192 20 5 EDBDRO CC[NH+](CC)C[C@@H]1CCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000301475705 303679979 /nfs/dbraw/zinc/67/99/79/303679979.db2.gz SLZLJGZLAGKLBT-ZDUSSCGKSA-N 1 0 345.403 1.771 20 5 EDBDRO CCC[NH+]1CCC(Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000302117107 303713131 /nfs/dbraw/zinc/71/31/31/303713131.db2.gz DEWBXSTWSBKUFJ-UHFFFAOYSA-N 1 0 342.421 1.529 20 5 EDBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420260357 304802337 /nfs/dbraw/zinc/80/23/37/304802337.db2.gz NPKRCFFKUOFTCH-HOTGVXAUSA-N 1 0 346.431 1.473 20 5 EDBDRO COc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000377766654 447345157 /nfs/dbraw/zinc/34/51/57/447345157.db2.gz KZDUFLGYXKAWOM-VMGRFDJRSA-N 1 0 349.387 1.519 20 5 EDBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000424015553 304925041 /nfs/dbraw/zinc/92/50/41/304925041.db2.gz CEZVFZIINUARPG-JTQLQIEISA-N 1 0 347.293 1.803 20 5 EDBDRO CCOc1ccc(NC(=O)CN2CC[C@@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430939428 305069540 /nfs/dbraw/zinc/06/95/40/305069540.db2.gz GGJJYFJEKGNZDG-DGCLKSJQSA-N 1 0 336.392 1.601 20 5 EDBDRO C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000430964887 305071385 /nfs/dbraw/zinc/07/13/85/305071385.db2.gz JKHARBGERXLKBY-KOLCDFICSA-N 1 0 326.784 1.856 20 5 EDBDRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000435604490 305143164 /nfs/dbraw/zinc/14/31/64/305143164.db2.gz DSXHSHWYCGTBFL-NSHDSACASA-N 1 0 349.416 1.940 20 5 EDBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H]2CCCn3ccnc32)c1[N+](=O)[O-] ZINC000437489231 305176006 /nfs/dbraw/zinc/17/60/06/305176006.db2.gz YXWMYNNBQJVWGT-JTQLQIEISA-N 1 0 332.364 1.945 20 5 EDBDRO CCc1n[nH]c(C(=O)N2CCC(OCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000439402707 305197201 /nfs/dbraw/zinc/19/72/01/305197201.db2.gz JAAMAZRHPOUNFE-UHFFFAOYSA-N 1 0 339.396 1.063 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000440405936 305205771 /nfs/dbraw/zinc/20/57/71/305205771.db2.gz KZULVIHCTSTHGF-WCQYABFASA-N 1 0 327.406 1.569 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([N@@H+](C)C[C@H](C)O)CC2)c1 ZINC000444350943 305246527 /nfs/dbraw/zinc/24/65/27/305246527.db2.gz IZGWKPCXFSGCIY-ZDUSSCGKSA-N 1 0 335.404 1.820 20 5 EDBDRO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000444376844 305247576 /nfs/dbraw/zinc/24/75/76/305247576.db2.gz VAELNFDSJMSVSR-LLVKDONJSA-N 1 0 339.367 1.651 20 5 EDBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000447514115 305281142 /nfs/dbraw/zinc/28/11/42/305281142.db2.gz BDKUDCIIJRDYOQ-WCQGTBRESA-N 1 0 338.412 1.084 20 5 EDBDRO C[C@@H]1COCCN1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447535544 305281639 /nfs/dbraw/zinc/28/16/39/305281639.db2.gz GXNCZZWCNCZLTR-KFWWJZLASA-N 1 0 337.424 1.585 20 5 EDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCS(=O)(=O)C2)n1 ZINC000447537223 305281767 /nfs/dbraw/zinc/28/17/67/305281767.db2.gz UDVRRLBHTARMFQ-YNEHKIRRSA-N 1 0 342.421 1.299 20 5 EDBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)Cn3cnc([N+](=O)[O-])n3)cccc21 ZINC000447722010 305284515 /nfs/dbraw/zinc/28/45/15/305284515.db2.gz HWNUKZPPTKMTSK-GFCCVEGCSA-N 1 0 346.347 1.210 20 5 EDBDRO C[C@H]([NH3+])[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000449601741 305315179 /nfs/dbraw/zinc/31/51/79/305315179.db2.gz NTPZPVDYWMJCTE-YUMQZZPRSA-N 1 0 330.182 1.752 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1 ZINC000451305891 305337959 /nfs/dbraw/zinc/33/79/59/305337959.db2.gz XBEFKFPCRUOIRQ-LXZKKBNFSA-N 1 0 336.388 1.835 20 5 EDBDRO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000451341920 305340337 /nfs/dbraw/zinc/34/03/37/305340337.db2.gz ZXBLSPWIAWHFSU-MRXNPFEDSA-N 1 0 338.360 1.615 20 5 EDBDRO O=C1CCCN1C[C@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548721 305352823 /nfs/dbraw/zinc/35/28/23/305352823.db2.gz NXTBAOYMSXLWQH-NVXWUHKLSA-N 1 0 347.415 1.758 20 5 EDBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000452353923 305391976 /nfs/dbraw/zinc/39/19/76/305391976.db2.gz VBOKVINKNPUADB-CYBMUJFWSA-N 1 0 346.387 1.653 20 5 EDBDRO COc1c(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)cccc1[N+](=O)[O-] ZINC000452387270 305396600 /nfs/dbraw/zinc/39/66/00/305396600.db2.gz ZPZYMUSQDMUCSF-LBPRGKRZSA-N 1 0 337.376 1.180 20 5 EDBDRO CC(C)(C(=O)NCC[NH+]1CCC(O)CC1)c1ccccc1[N+](=O)[O-] ZINC000456583258 305467463 /nfs/dbraw/zinc/46/74/63/305467463.db2.gz OGNZNBILLHCDCM-UHFFFAOYSA-N 1 0 335.404 1.445 20 5 EDBDRO CC[NH+](CC)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000525195227 305823786 /nfs/dbraw/zinc/82/37/86/305823786.db2.gz QFIHPQSOPXMJFC-LLVKDONJSA-N 1 0 342.421 1.163 20 5 EDBDRO C[C@](O)(C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1)C(F)(F)F ZINC000545223385 306082701 /nfs/dbraw/zinc/08/27/01/306082701.db2.gz UNWUVJDTKONVME-LBPRGKRZSA-N 1 0 336.314 1.817 20 5 EDBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000549157627 306144921 /nfs/dbraw/zinc/14/49/21/306144921.db2.gz GCDYIDHMNDTNSL-DGCLKSJQSA-N 1 0 329.360 1.883 20 5 EDBDRO CS(=O)(=O)C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000550700251 306153775 /nfs/dbraw/zinc/15/37/75/306153775.db2.gz WHCVGMKQXOMCIV-AWEZNQCLSA-N 1 0 328.390 1.386 20 5 EDBDRO C[N@@H+]1CCN(CCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000493702935 447375193 /nfs/dbraw/zinc/37/51/93/447375193.db2.gz CXOVXOVLHJPBIN-FPLPWBNLSA-N 1 0 346.431 1.750 20 5 EDBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000449706227 447387835 /nfs/dbraw/zinc/38/78/35/447387835.db2.gz MPXPDVVFZXOHHS-OAHLLOKOSA-N 1 0 349.387 1.413 20 5 EDBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000057554183 441122320 /nfs/dbraw/zinc/12/23/20/441122320.db2.gz YVXKCEUNFQZPRZ-GFCCVEGCSA-N 1 0 341.371 1.747 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000070871478 441124962 /nfs/dbraw/zinc/12/49/62/441124962.db2.gz QPSKMSHPIIFWGM-ZDUSSCGKSA-N 1 0 344.375 1.390 20 5 EDBDRO C[NH+]1CCC(O)(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000080880844 441203296 /nfs/dbraw/zinc/20/32/96/441203296.db2.gz YBKKXQDOFGVTOQ-UHFFFAOYSA-N 1 0 348.403 1.356 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000073533947 441322622 /nfs/dbraw/zinc/32/26/22/441322622.db2.gz NKBWOGDIHWYCEU-HNNXBMFYSA-N 1 0 335.408 1.790 20 5 EDBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000063822286 441355927 /nfs/dbraw/zinc/35/59/27/441355927.db2.gz QXVSYMOZFYSABO-CQSZACIVSA-N 1 0 337.424 1.810 20 5 EDBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000064311411 441371784 /nfs/dbraw/zinc/37/17/84/441371784.db2.gz VKXASROOYKAVFS-CYBMUJFWSA-N 1 0 337.424 1.808 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000074971243 441483737 /nfs/dbraw/zinc/48/37/37/441483737.db2.gz FWJPMJGWDJXKIW-OLZOCXBDSA-N 1 0 339.417 1.760 20 5 EDBDRO Cc1cc(N2CCC(C[NH+]3CCN(C)CC3)CC2)ncc1[N+](=O)[O-] ZINC000074742979 441462162 /nfs/dbraw/zinc/46/21/62/441462162.db2.gz RVHNPFHILIHKFM-UHFFFAOYSA-N 1 0 333.436 1.762 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH+](CC2CC2)CC1 ZINC000053237059 441507334 /nfs/dbraw/zinc/50/73/34/441507334.db2.gz YSINICSDHSCSDE-UHFFFAOYSA-N 1 0 332.404 1.869 20 5 EDBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCCC1 ZINC000066616069 441552208 /nfs/dbraw/zinc/55/22/08/441552208.db2.gz BWQFXRWMZRBAQB-UHFFFAOYSA-N 1 0 349.387 1.970 20 5 EDBDRO C[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000066646968 441557524 /nfs/dbraw/zinc/55/75/24/441557524.db2.gz LQQGBUBAIQGOJQ-UHFFFAOYSA-N 1 0 349.387 1.828 20 5 EDBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc2c(c1)OCCO2 ZINC000090512470 441631866 /nfs/dbraw/zinc/63/18/66/441631866.db2.gz FSQATUUCFJTLBI-UHFFFAOYSA-N 1 0 345.355 1.660 20 5 EDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCN2CC[NH+](C)CC2)c1 ZINC000041845103 441678579 /nfs/dbraw/zinc/67/85/79/441678579.db2.gz PPCXFLWPWQEQRU-UHFFFAOYSA-N 1 0 338.433 1.294 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000067782233 441678587 /nfs/dbraw/zinc/67/85/87/441678587.db2.gz FSFYIETXCPECAV-CYBMUJFWSA-N 1 0 348.403 1.688 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCc3[nH]c4ccccc4c3C2)c1 ZINC000173329807 441714864 /nfs/dbraw/zinc/71/48/64/441714864.db2.gz ZAKLOCFJROHOMF-CYBMUJFWSA-N 1 0 341.371 1.692 20 5 EDBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000068211505 441752805 /nfs/dbraw/zinc/75/28/05/441752805.db2.gz IKAKCTRNZOPVSB-MGPQQGTHSA-N 1 0 337.424 1.664 20 5 EDBDRO Cc1ccc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000042582164 441753294 /nfs/dbraw/zinc/75/32/94/441753294.db2.gz DANMFVHXXNNDIR-QGZVFWFLSA-N 1 0 348.447 1.905 20 5 EDBDRO C[N@H+](CCCO)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000115636871 441766929 /nfs/dbraw/zinc/76/69/29/441766929.db2.gz MESVVQNTRPBUNT-UHFFFAOYSA-N 1 0 336.392 1.905 20 5 EDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000139336670 441811653 /nfs/dbraw/zinc/81/16/53/441811653.db2.gz PYAIREDAPQPVTO-CQSZACIVSA-N 1 0 347.419 1.521 20 5 EDBDRO CC[N@H+](C)CCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000068960661 441874762 /nfs/dbraw/zinc/87/47/62/441874762.db2.gz RGTDUQQVLHGVEJ-UHFFFAOYSA-N 1 0 335.813 1.787 20 5 EDBDRO C[C@H](CC[NH+](C)C)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000068595621 441827982 /nfs/dbraw/zinc/82/79/82/441827982.db2.gz QQEXRHWANZLQCG-CQSZACIVSA-N 1 0 349.435 1.767 20 5 EDBDRO C[C@H]1C[C@H](N(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000173749591 441833765 /nfs/dbraw/zinc/83/37/65/441833765.db2.gz KYTOSTMIECYVIU-UONOGXRCSA-N 1 0 334.420 1.972 20 5 EDBDRO CC[NH+](CC)[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000174304974 441911664 /nfs/dbraw/zinc/91/16/64/441911664.db2.gz LCAHYNSAFGYPPU-CVEARBPZSA-N 1 0 337.420 1.751 20 5 EDBDRO CNS(=O)(=O)c1ccc(N[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000069000809 441878530 /nfs/dbraw/zinc/87/85/30/441878530.db2.gz GVNAPVAJSYQOMW-NSHDSACASA-N 1 0 342.421 1.398 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000093343451 441880594 /nfs/dbraw/zinc/88/05/94/441880594.db2.gz IVFSTEIVPGONKV-FZMZJTMJSA-N 1 0 337.376 1.635 20 5 EDBDRO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000123415213 441887458 /nfs/dbraw/zinc/88/74/58/441887458.db2.gz WMRZOSCJCLYGIF-UHFFFAOYSA-N 1 0 329.422 1.864 20 5 EDBDRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118108687 441888646 /nfs/dbraw/zinc/88/86/46/441888646.db2.gz GSMXGVIXCKXXQC-UHFFFAOYSA-N 1 0 328.756 1.255 20 5 EDBDRO CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000150779667 441949989 /nfs/dbraw/zinc/94/99/89/441949989.db2.gz XXPYFVKKMKXLBL-OCCSQVGLSA-N 1 0 349.387 1.703 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000125169653 441992031 /nfs/dbraw/zinc/99/20/31/441992031.db2.gz AWWMLMUOBVAWAR-NWDGAFQWSA-N 1 0 327.406 1.705 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000125223642 441999995 /nfs/dbraw/zinc/99/99/95/441999995.db2.gz KEGIUSWRVFSRJT-ZJUUUORDSA-N 1 0 329.378 1.152 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000162103959 442064140 /nfs/dbraw/zinc/06/41/40/442064140.db2.gz IKUQSWPUGPQUEC-NSHDSACASA-N 1 0 345.396 1.805 20 5 EDBDRO O=[N+]([O-])c1ccccc1OCCN1CC[NH+](C2CCOCC2)CC1 ZINC000175490218 442073555 /nfs/dbraw/zinc/07/35/55/442073555.db2.gz WWHNIRMANMUZMS-UHFFFAOYSA-N 1 0 335.404 1.770 20 5 EDBDRO C[C@H]1C[NH2+]CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000126448810 442112542 /nfs/dbraw/zinc/11/25/42/442112542.db2.gz LOLWFXZAMJOWSC-AWEZNQCLSA-N 1 0 335.407 1.975 20 5 EDBDRO CC(C)[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+]1CCCC1 ZINC000151867976 442131977 /nfs/dbraw/zinc/13/19/77/442131977.db2.gz JYHQQMRXRLRSCN-AWEZNQCLSA-N 1 0 338.412 1.211 20 5 EDBDRO Cc1ccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000175845230 442132996 /nfs/dbraw/zinc/13/29/96/442132996.db2.gz QTSXNYXLGTYEON-UHFFFAOYSA-N 1 0 333.388 1.840 20 5 EDBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])s1 ZINC000152192705 442179367 /nfs/dbraw/zinc/17/93/67/442179367.db2.gz YVWWUCKMIWVVNR-NSHDSACASA-N 1 0 327.406 1.623 20 5 EDBDRO COCCC[N@H+](C)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000152522714 442222235 /nfs/dbraw/zinc/22/22/35/442222235.db2.gz FVVMAOCZUMNDNY-UHFFFAOYSA-N 1 0 334.376 1.774 20 5 EDBDRO CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2c[nH+]ccc21 ZINC000176978743 442279805 /nfs/dbraw/zinc/27/98/05/442279805.db2.gz VYQWLPXGROHLRN-UHFFFAOYSA-N 1 0 340.386 1.696 20 5 EDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000177324113 442328401 /nfs/dbraw/zinc/32/84/01/442328401.db2.gz DAYCVYIQKLCQID-GUTXKFCHSA-N 1 0 333.392 1.124 20 5 EDBDRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000132344365 442391836 /nfs/dbraw/zinc/39/18/36/442391836.db2.gz AVASVNVPRSQWQB-BDAKNGLRSA-N 1 0 333.797 1.606 20 5 EDBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000130960405 442361107 /nfs/dbraw/zinc/36/11/07/442361107.db2.gz SIHFDVTYFXSHGF-UHFFFAOYSA-N 1 0 328.166 1.793 20 5 EDBDRO COc1cc(CCNC(=O)CC(C)(C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000178348745 442426066 /nfs/dbraw/zinc/42/60/66/442426066.db2.gz OLXYVIIEXZTGPU-UHFFFAOYSA-N 1 0 325.365 1.398 20 5 EDBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)Cc2ccccc2)n1 ZINC000191570476 442466371 /nfs/dbraw/zinc/46/63/71/442466371.db2.gz WFQLSBHFJKNNAK-UHFFFAOYSA-N 1 0 331.376 1.673 20 5 EDBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172458774 442466728 /nfs/dbraw/zinc/46/67/28/442466728.db2.gz UJJDPCUBKKGPKF-UHFFFAOYSA-N 1 0 339.417 1.841 20 5 EDBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H](CO)C(C)(C)C ZINC000134371610 442474888 /nfs/dbraw/zinc/47/48/88/442474888.db2.gz AKVJWLTZYWURNJ-OAHLLOKOSA-N 1 0 335.404 1.823 20 5 EDBDRO C[N@@H+]1CC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccccc1 ZINC000180176647 442552997 /nfs/dbraw/zinc/55/29/97/442552997.db2.gz YNFBDPZFJRCWIV-CJNGLKHVSA-N 1 0 329.360 1.353 20 5 EDBDRO CC(C)[NH+]1CCC(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000179997181 442526886 /nfs/dbraw/zinc/52/68/86/442526886.db2.gz OXSLMAMSRONLHP-UHFFFAOYSA-N 1 0 335.360 1.926 20 5 EDBDRO COC(=O)C[C@@H]1CCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000179120340 442576278 /nfs/dbraw/zinc/57/62/78/442576278.db2.gz GRWWCWIZERLGPF-ZDUSSCGKSA-N 1 0 347.371 1.511 20 5 EDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186703692 442595423 /nfs/dbraw/zinc/59/54/23/442595423.db2.gz XEPWBUZIVFGYBG-IAQYHMDHSA-N 1 0 329.360 1.508 20 5 EDBDRO Cc1c([C@@H](C)[NH2+]CCS(=O)(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000180466718 442606759 /nfs/dbraw/zinc/60/67/59/442606759.db2.gz DQKXLZFJPALHSN-GFCCVEGCSA-N 1 0 329.422 1.882 20 5 EDBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000180616556 442635056 /nfs/dbraw/zinc/63/50/56/442635056.db2.gz RPLJORNATPNOAM-TXEJJXNPSA-N 1 0 336.392 1.406 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH+]2CCCCCC2)c1 ZINC000193319109 442732613 /nfs/dbraw/zinc/73/26/13/442732613.db2.gz TZHURSJKYCYHNY-UHFFFAOYSA-N 1 0 327.406 1.749 20 5 EDBDRO CC1(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC[NH2+]CC1 ZINC000193357165 442735827 /nfs/dbraw/zinc/73/58/27/442735827.db2.gz GYKLLEWGDMKMEV-UHFFFAOYSA-N 1 0 330.348 1.047 20 5 EDBDRO C[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000188718349 442795091 /nfs/dbraw/zinc/79/50/91/442795091.db2.gz QUSBIWKCXSMXHI-NSHDSACASA-N 1 0 336.392 1.094 20 5 EDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000265496186 442796193 /nfs/dbraw/zinc/79/61/93/442796193.db2.gz CCNSXMFADGHAMV-CQSZACIVSA-N 1 0 336.392 1.157 20 5 EDBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193740309 442777343 /nfs/dbraw/zinc/77/73/43/442777343.db2.gz JHVVHTVZWNZHOC-GFCCVEGCSA-N 1 0 336.392 1.793 20 5 EDBDRO C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182864499 442838619 /nfs/dbraw/zinc/83/86/19/442838619.db2.gz URHBCGCJFXXQJJ-VXGBXAGGSA-N 1 0 335.408 1.711 20 5 EDBDRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000189131305 442883247 /nfs/dbraw/zinc/88/32/47/442883247.db2.gz ONZQJTWKPOTNIE-UHFFFAOYSA-N 1 0 327.406 1.700 20 5 EDBDRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000189135568 442884152 /nfs/dbraw/zinc/88/41/52/442884152.db2.gz CXCZEWZCFOGNDA-UHFFFAOYSA-N 1 0 341.433 1.841 20 5 EDBDRO NC(=O)C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CCCCC1 ZINC000182114173 318498239 /nfs/dbraw/zinc/49/82/39/318498239.db2.gz WRTSLVMDPATNGY-CQSZACIVSA-N 1 0 336.392 1.170 20 5 EDBDRO COc1ccc(CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000189412043 442944921 /nfs/dbraw/zinc/94/49/21/442944921.db2.gz GKHCKMABTPUIND-ZDUSSCGKSA-N 1 0 337.420 1.880 20 5 EDBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000265970650 442988654 /nfs/dbraw/zinc/98/86/54/442988654.db2.gz KTIJCFFKBUAFFR-NSHDSACASA-N 1 0 342.421 1.020 20 5 EDBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000184295087 443009221 /nfs/dbraw/zinc/00/92/21/443009221.db2.gz UYHUFJJJICWFPH-GFCCVEGCSA-N 1 0 333.392 1.663 20 5 EDBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189793150 443012339 /nfs/dbraw/zinc/01/23/39/443012339.db2.gz JQYIIGQJDVIDAF-ZDUSSCGKSA-N 1 0 341.433 1.974 20 5 EDBDRO COc1ccc(NC(=O)CN(C)[C@H](C)C[S@](C)=O)c([N+](=O)[O-])c1 ZINC000185136071 443145016 /nfs/dbraw/zinc/14/50/16/443145016.db2.gz ONTWROSWMKZKQD-WYVULQQZSA-N 1 0 343.405 1.241 20 5 EDBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC000266441748 443127107 /nfs/dbraw/zinc/12/71/07/443127107.db2.gz MUVHSFPRUOWNHG-BXKDBHETSA-N 1 0 326.303 1.781 20 5 EDBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000261887353 443173959 /nfs/dbraw/zinc/17/39/59/443173959.db2.gz NIIUCIJAFRLILN-STQMWFEESA-N 1 0 339.417 1.442 20 5 EDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000261944991 443175169 /nfs/dbraw/zinc/17/51/69/443175169.db2.gz MARONIVJCAWKOR-RYUDHWBXSA-N 1 0 327.406 1.570 20 5 EDBDRO Cc1c(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000237530641 443175363 /nfs/dbraw/zinc/17/53/63/443175363.db2.gz AOEOPDBSYPDWHV-JQWIXIFHSA-N 1 0 344.375 1.436 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000237633524 443177459 /nfs/dbraw/zinc/17/74/59/443177459.db2.gz WWCSRDKXSIGJOB-NWDGAFQWSA-N 1 0 327.406 1.712 20 5 EDBDRO CC(C)C[C@@H](CO)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000185324908 443182975 /nfs/dbraw/zinc/18/29/75/443182975.db2.gz JWEOIZMQAVHFCU-GJZGRUSLSA-N 1 0 326.393 1.673 20 5 EDBDRO COc1ccc(NC(=O)C[N@H+](C)[C@H](CO)CC(C)C)c([N+](=O)[O-])c1 ZINC000185348803 443187763 /nfs/dbraw/zinc/18/77/63/443187763.db2.gz QDDQSXDTQJTXQK-LBPRGKRZSA-N 1 0 339.392 1.881 20 5 EDBDRO COc1cc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000326578122 318945642 /nfs/dbraw/zinc/94/56/42/318945642.db2.gz AJNLYNRWQDNXNL-IQMDTDKHSA-N 1 0 337.376 1.728 20 5 EDBDRO O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000269209986 443234102 /nfs/dbraw/zinc/23/41/02/443234102.db2.gz PCCUMVASRCOQOZ-VIFPVBQESA-N 1 0 346.309 1.751 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1C ZINC000262766141 443211765 /nfs/dbraw/zinc/21/17/65/443211765.db2.gz UJQSQMAPPFZTIW-CHWSQXEVSA-N 1 0 341.433 1.960 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c1C ZINC000262809199 443213163 /nfs/dbraw/zinc/21/31/63/443213163.db2.gz TUBDFPSGEHNQQP-ZYHUDNBSSA-N 1 0 327.406 1.630 20 5 EDBDRO Cn1ccc(N2CC[C@H]([NH2+]C/C=C/c3ccccc3[N+](=O)[O-])C2=O)n1 ZINC000360093876 319117015 /nfs/dbraw/zinc/11/70/15/319117015.db2.gz WEHJYZIWAVFXAG-YVZNUBBCSA-N 1 0 341.371 1.737 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000269331880 443284011 /nfs/dbraw/zinc/28/40/11/443284011.db2.gz CJDNYABPJNDPSN-AWEZNQCLSA-N 1 0 341.433 1.872 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264535674 443317334 /nfs/dbraw/zinc/31/73/34/443317334.db2.gz ZSLZARZFPBXJGO-HNNXBMFYSA-N 1 0 346.387 1.620 20 5 EDBDRO O=C1CCCCN1CC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000266948877 443300061 /nfs/dbraw/zinc/30/00/61/443300061.db2.gz SQSHHGFFRVRTNO-UHFFFAOYSA-N 1 0 335.408 1.516 20 5 EDBDRO COC[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)OC ZINC000272632468 443389588 /nfs/dbraw/zinc/38/95/88/443389588.db2.gz AZNACCKFJQXCJA-RISCZKNCSA-N 1 0 325.365 1.563 20 5 EDBDRO CC1CC[NH+](CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000272528198 443351465 /nfs/dbraw/zinc/35/14/65/443351465.db2.gz OODNIMNJAZNYEK-UHFFFAOYSA-N 1 0 342.421 1.386 20 5 EDBDRO C[NH+](C)[C@H]1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278562892 443363532 /nfs/dbraw/zinc/36/35/32/443363532.db2.gz BDNZCSOUGRYLJY-NSHDSACASA-N 1 0 332.364 1.317 20 5 EDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000264670441 443368476 /nfs/dbraw/zinc/36/84/76/443368476.db2.gz GQDLPUMPBLHNPI-CQSZACIVSA-N 1 0 337.424 1.789 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])c1 ZINC000420446951 319621231 /nfs/dbraw/zinc/62/12/31/319621231.db2.gz IIUHSDGQQWHMFK-WCQYABFASA-N 1 0 325.390 1.276 20 5 EDBDRO CSc1ccc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000264792928 443428255 /nfs/dbraw/zinc/42/82/55/443428255.db2.gz VCDDOIZKESXBET-GFCCVEGCSA-N 1 0 338.433 1.292 20 5 EDBDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000278761720 443428965 /nfs/dbraw/zinc/42/89/65/443428965.db2.gz XKGQQWWPUMKHHA-PXAZEXFGSA-N 1 0 346.387 1.625 20 5 EDBDRO COC[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000279115718 443515902 /nfs/dbraw/zinc/51/59/02/443515902.db2.gz TXMIQZMGDMUCDR-ZFWWWQNUSA-N 1 0 340.376 1.766 20 5 EDBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000273044493 443527731 /nfs/dbraw/zinc/52/77/31/443527731.db2.gz PRLNZFFSTKYLHI-RDJZCZTQSA-N 1 0 346.383 2.000 20 5 EDBDRO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000423654091 319798193 /nfs/dbraw/zinc/79/81/93/319798193.db2.gz AIMOQMJKVVQRIK-HQJQHLMTSA-N 1 0 328.166 1.919 20 5 EDBDRO CC1(C)OCC(CO)([NH2+]CCOc2ccccc2[N+](=O)[O-])CO1 ZINC000279219929 443539283 /nfs/dbraw/zinc/53/92/83/443539283.db2.gz HYSUPFWGWGMKSG-UHFFFAOYSA-N 1 0 326.349 1.077 20 5 EDBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272259433 443571760 /nfs/dbraw/zinc/57/17/60/443571760.db2.gz ALHNZCZEVKGIMO-CJNGLKHVSA-N 1 0 332.404 1.949 20 5 EDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000429154660 319922423 /nfs/dbraw/zinc/92/24/23/319922423.db2.gz LRBYGCPBDLNKGI-VXGBXAGGSA-N 1 0 349.387 1.494 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+](CCO)C1CCC1 ZINC000439277014 320044147 /nfs/dbraw/zinc/04/41/47/320044147.db2.gz UAJVCQHHGUHPSY-UHFFFAOYSA-N 1 0 335.360 1.740 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000440358355 320073840 /nfs/dbraw/zinc/07/38/40/320073840.db2.gz NMTVMIGTTFPPTF-DGCLKSJQSA-N 1 0 341.433 1.824 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)c1C ZINC000440805163 320080616 /nfs/dbraw/zinc/08/06/16/320080616.db2.gz DMGYHYZJBNTUCX-CYBMUJFWSA-N 1 0 341.433 1.961 20 5 EDBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000440861733 320084324 /nfs/dbraw/zinc/08/43/24/320084324.db2.gz RDNQHVPOPNIBPK-HNNXBMFYSA-N 1 0 341.433 1.825 20 5 EDBDRO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000443888821 320114151 /nfs/dbraw/zinc/11/41/51/320114151.db2.gz MJUPGKKMPIVIQV-NSHDSACASA-N 1 0 329.422 1.849 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)c1C ZINC000447251827 320140264 /nfs/dbraw/zinc/14/02/64/320140264.db2.gz ZBLBWEPMCYBJCE-PWSUYJOCSA-N 1 0 327.406 1.569 20 5 EDBDRO COC[C@@](C)(O)CC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449384081 320186149 /nfs/dbraw/zinc/18/61/49/320186149.db2.gz MCVXHELMRQMZKG-WBMJQRKESA-N 1 0 339.392 1.689 20 5 EDBDRO CC[C@H](CNS(C)(=O)=O)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449443605 320191619 /nfs/dbraw/zinc/19/16/19/320191619.db2.gz UDCQAUYOCCIKCG-FWPCIQOSSA-N 1 0 327.406 1.525 20 5 EDBDRO C[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@@H+](C2CC2)C1 ZINC000452568046 320251916 /nfs/dbraw/zinc/25/19/16/320251916.db2.gz GELCWLDSQSGMQW-GFCCVEGCSA-N 1 0 335.408 1.469 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276459201 443713053 /nfs/dbraw/zinc/71/30/53/443713053.db2.gz VQUFAGWLRRBALE-UHFFFAOYSA-N 1 0 345.403 1.520 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@@H]1C ZINC000281105351 443820314 /nfs/dbraw/zinc/82/03/14/443820314.db2.gz FSVOLEDMFGYXTO-QWRGUYRKSA-N 1 0 347.375 1.135 20 5 EDBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000281195958 443845342 /nfs/dbraw/zinc/84/53/42/443845342.db2.gz SOANMVLHQFOIJM-INIZCTEOSA-N 1 0 337.376 1.570 20 5 EDBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@@H+](C)CCN(C)C ZINC000292843322 443857201 /nfs/dbraw/zinc/85/72/01/443857201.db2.gz CITMYTRNVDBZRW-CCEZHUSRSA-N 1 0 348.447 1.998 20 5 EDBDRO Cc1ccc(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000281901472 444035239 /nfs/dbraw/zinc/03/52/39/444035239.db2.gz ZDXIXMYOISRIPK-UHFFFAOYSA-N 1 0 334.420 1.659 20 5 EDBDRO CC[N@H+](CCOCCO)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000281908245 444036804 /nfs/dbraw/zinc/03/68/04/444036804.db2.gz BZDSJXMMZNQELA-UHFFFAOYSA-N 1 0 339.392 1.563 20 5 EDBDRO COc1cc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000285674466 444068306 /nfs/dbraw/zinc/06/83/06/444068306.db2.gz HIAHPFDURSSLOB-KBPBESRZSA-N 1 0 335.360 1.149 20 5 EDBDRO CCCN(CC[NH+]1CCCC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000289181967 444071519 /nfs/dbraw/zinc/07/15/19/444071519.db2.gz KWONIEXPUOICLB-UHFFFAOYSA-N 1 0 338.412 1.309 20 5 EDBDRO CCc1nc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cs1 ZINC000562987943 321085363 /nfs/dbraw/zinc/08/53/63/321085363.db2.gz VPGPNHQPDADLEZ-GFCCVEGCSA-N 1 0 325.394 1.003 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC[C@H](O)C(F)(F)F)c1 ZINC000563888143 321114724 /nfs/dbraw/zinc/11/47/24/321114724.db2.gz MYPNUHHPDZFTOG-PWSUYJOCSA-N 1 0 338.282 1.237 20 5 EDBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC2(CC[NH2+]2)CC1 ZINC000563957922 321117788 /nfs/dbraw/zinc/11/77/88/321117788.db2.gz VWJJHFVMDMAEMA-UHFFFAOYSA-N 1 0 341.371 1.749 20 5 EDBDRO CC(C)N(C)C[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566005704 321210206 /nfs/dbraw/zinc/21/02/06/321210206.db2.gz BNCWIOSQLOTGOT-ZFWWWQNUSA-N 1 0 325.409 1.653 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000566118791 321217712 /nfs/dbraw/zinc/21/77/12/321217712.db2.gz GVBVDWPIXKBGSB-NWDGAFQWSA-N 1 0 345.346 1.264 20 5 EDBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000566771768 321233617 /nfs/dbraw/zinc/23/36/17/321233617.db2.gz IRNQKERIYOEARG-LLVKDONJSA-N 1 0 344.371 1.920 20 5 EDBDRO O=c1c2c(ncn1Cc1c(Cl)cccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000567809867 321259901 /nfs/dbraw/zinc/25/99/01/321259901.db2.gz DBFKEUZPXAKWQB-UHFFFAOYSA-N 1 0 334.763 1.541 20 5 EDBDRO [NH3+]CC[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(F)F ZINC000567845228 321262317 /nfs/dbraw/zinc/26/23/17/321262317.db2.gz PBKZWQLEXFAXOE-LLVKDONJSA-N 1 0 340.286 1.561 20 5 EDBDRO COc1ccc(NC(=O)CN2CC[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000567889654 321265808 /nfs/dbraw/zinc/26/58/08/321265808.db2.gz HHRSMJRXSALGPQ-QGZVFWFLSA-N 1 0 348.403 1.617 20 5 EDBDRO COCC[C@@]1([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000569186543 321320507 /nfs/dbraw/zinc/32/05/07/321320507.db2.gz GBPRUGRXCXKDQJ-GOEBONIOSA-N 1 0 340.376 1.120 20 5 EDBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC000570710856 321354705 /nfs/dbraw/zinc/35/47/05/321354705.db2.gz NFQSQXVRHQVTHJ-AAEUAGOBSA-N 1 0 333.344 1.786 20 5 EDBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])C[C@H]21 ZINC000301685793 444185240 /nfs/dbraw/zinc/18/52/40/444185240.db2.gz WUCNRPDSEWUEMM-CVEARBPZSA-N 1 0 346.387 1.006 20 5 EDBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc(Br)cc3[N+](=O)[O-])C[C@H]21 ZINC000301691022 444185650 /nfs/dbraw/zinc/18/56/50/444185650.db2.gz YPJPLEYTFJOOPA-OLZOCXBDSA-N 1 0 342.193 1.877 20 5 EDBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000301727462 444187933 /nfs/dbraw/zinc/18/79/33/444187933.db2.gz VUHANLXGKUFMFO-SWLSCSKDSA-N 1 0 332.404 1.875 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000301954631 444197927 /nfs/dbraw/zinc/19/79/27/444197927.db2.gz KIIMCCORFOCHJD-MRXNPFEDSA-N 1 0 332.404 1.822 20 5 EDBDRO O=[N+]([O-])c1cnc2ccc(N3CCC[N@@H+](C4CCOCC4)CC3)nn21 ZINC000301965954 444198486 /nfs/dbraw/zinc/19/84/86/444198486.db2.gz KIPPWFCBCYUEGN-UHFFFAOYSA-N 1 0 346.391 1.329 20 5 EDBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCn1cc(CO)nn1 ZINC000289787544 444203465 /nfs/dbraw/zinc/20/34/65/444203465.db2.gz JXYXPQQMDMJJBB-UHFFFAOYSA-N 1 0 335.364 1.257 20 5 EDBDRO O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000304693151 444251001 /nfs/dbraw/zinc/25/10/01/444251001.db2.gz DOEWPAOARMTGFO-HZPDHXFCSA-N 1 0 349.431 1.895 20 5 EDBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000296388110 444224869 /nfs/dbraw/zinc/22/48/69/444224869.db2.gz IOJASEUCYKCIHK-LLVKDONJSA-N 1 0 341.795 1.825 20 5 EDBDRO COCC[N@H+](C)CCCNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000296628273 444244150 /nfs/dbraw/zinc/24/41/50/444244150.db2.gz VMJPSIIGQRKXKC-UHFFFAOYSA-N 1 0 339.392 1.691 20 5 EDBDRO CS(=O)(=O)c1cccc(N2CCC(CC[NH3+])CC2)c1[N+](=O)[O-] ZINC000317164363 444314166 /nfs/dbraw/zinc/31/41/66/444314166.db2.gz YTCDIQJNSYAMCT-UHFFFAOYSA-N 1 0 327.406 1.564 20 5 EDBDRO C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ncc[nH]1 ZINC000325728843 444368737 /nfs/dbraw/zinc/36/87/37/444368737.db2.gz ZRCMSOORONVSAK-SNVBAGLBSA-N 1 0 326.316 1.995 20 5 EDBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000326303837 444373610 /nfs/dbraw/zinc/37/36/10/444373610.db2.gz AEQZFAQSCCZBKD-APHBUQMISA-N 1 0 330.388 1.114 20 5 EDBDRO C[C@H]1C[C@@H](Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C[N@@H+]1C1CC1 ZINC000290834704 444328635 /nfs/dbraw/zinc/32/86/35/444328635.db2.gz VBWDPPJXNGATHX-GXSJLCMTSA-N 1 0 340.405 1.279 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000298108354 444417931 /nfs/dbraw/zinc/41/79/31/444417931.db2.gz LZFRUXLIJZIJRN-LBPRGKRZSA-N 1 0 334.376 1.361 20 5 EDBDRO Cc1cc(NC(=O)C(=O)NCC2(C)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000298038018 444394461 /nfs/dbraw/zinc/39/44/61/444394461.db2.gz CNJGAJZJUGKSNH-UHFFFAOYSA-N 1 0 348.403 1.690 20 5 EDBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000332095253 444500674 /nfs/dbraw/zinc/50/06/74/444500674.db2.gz AICDSDVMMNWWPY-CQSZACIVSA-N 1 0 349.435 1.717 20 5 EDBDRO CC[C@](C)(C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC ZINC000581127115 322139017 /nfs/dbraw/zinc/13/90/17/322139017.db2.gz KSBSKWNTAZGQCX-CQSZACIVSA-N 1 0 330.406 1.773 20 5 EDBDRO CNC(=O)N[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000342354932 444650837 /nfs/dbraw/zinc/65/08/37/444650837.db2.gz NCSDQVKTTGFPNB-GFCCVEGCSA-N 1 0 349.391 1.235 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344026983 444737176 /nfs/dbraw/zinc/73/71/76/444737176.db2.gz KJHACEQUKVCOMK-WHOFXGATSA-N 1 0 347.371 1.596 20 5 EDBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000341263303 444753175 /nfs/dbraw/zinc/75/31/75/444753175.db2.gz PVNPDEILCJOGTP-UHFFFAOYSA-N 1 0 339.396 1.246 20 5 EDBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)n2)c1 ZINC000344069296 444763242 /nfs/dbraw/zinc/76/32/42/444763242.db2.gz QXEIXOBQMCEHMX-YUTCNCBUSA-N 1 0 330.344 1.848 20 5 EDBDRO COc1ccc(CN2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cc1[N+](=O)[O-] ZINC000344084182 444772012 /nfs/dbraw/zinc/77/20/12/444772012.db2.gz GDLWOALNZSXUBB-LLVKDONJSA-N 1 0 333.348 1.807 20 5 EDBDRO Cc1cc(N(C)CC(=O)N2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000338665422 444799148 /nfs/dbraw/zinc/79/91/48/444799148.db2.gz CVFCGWLANAVYOM-UHFFFAOYSA-N 1 0 344.371 1.746 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000338722432 444821118 /nfs/dbraw/zinc/82/11/18/444821118.db2.gz BWOUKIWZKCTTAR-CVEARBPZSA-N 1 0 346.387 1.868 20 5 EDBDRO CC[N@@H+]1CC[C@@H]2OCCN(c3ccc(C(=O)NC)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000338735071 444828594 /nfs/dbraw/zinc/82/85/94/444828594.db2.gz ZPZMWGRHZDICNB-CVEARBPZSA-N 1 0 348.403 1.254 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2Cn2ccnn2)c1 ZINC000344351087 444912331 /nfs/dbraw/zinc/91/23/31/444912331.db2.gz VHECKKWODHXABS-HUUCEWRRSA-N 1 0 347.375 1.091 20 5 EDBDRO Cn1c(C(=O)N(CC[NH+](C)C)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000337255244 445005487 /nfs/dbraw/zinc/00/54/87/445005487.db2.gz QXZABAADHNBKPN-UHFFFAOYSA-N 1 0 331.376 1.532 20 5 EDBDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000330613447 445061837 /nfs/dbraw/zinc/06/18/37/445061837.db2.gz SCRKVCZIXJXVFF-MNOVXSKESA-N 1 0 333.435 1.606 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000342032557 445134704 /nfs/dbraw/zinc/13/47/04/445134704.db2.gz MPMPQPTVIKWSAG-CXAGYDPISA-N 1 0 346.387 1.489 20 5 EDBDRO COC(=O)c1cc(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000343495602 445233915 /nfs/dbraw/zinc/23/39/15/445233915.db2.gz GUUNTTJNSLHBDP-QMTHXVAHSA-N 1 0 335.360 1.594 20 5 EDBDRO NC(=O)C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343518898 445237492 /nfs/dbraw/zinc/23/74/92/445237492.db2.gz CBFJSHLRCQLPLS-CHWSQXEVSA-N 1 0 337.376 1.064 20 5 EDBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000348001205 445260646 /nfs/dbraw/zinc/26/06/46/445260646.db2.gz JNAYYPKGWCJZQK-STQMWFEESA-N 1 0 336.392 1.259 20 5 EDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348378368 445271341 /nfs/dbraw/zinc/27/13/41/445271341.db2.gz GHJMKTYMOBCHJO-CHWSQXEVSA-N 1 0 339.417 1.651 20 5 EDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000351826402 445334792 /nfs/dbraw/zinc/33/47/92/445334792.db2.gz GWIOXEWPDGBEIT-NWDGAFQWSA-N 1 0 329.360 1.590 20 5 EDBDRO COc1cc(C(=O)N2CC[NH+]3CCC2CC3)cc([N+](=O)[O-])c1OC ZINC000356970907 445354185 /nfs/dbraw/zinc/35/41/85/445354185.db2.gz CPQBTXBUBZOEPT-UHFFFAOYSA-N 1 0 335.360 1.532 20 5 EDBDRO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000357075314 445410246 /nfs/dbraw/zinc/41/02/46/445410246.db2.gz GUFSIXZNBQJLJC-KBPBESRZSA-N 1 0 330.388 1.025 20 5 EDBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@]2(CO)CCOC2)cccc1[N+](=O)[O-] ZINC000359833841 445452585 /nfs/dbraw/zinc/45/25/85/445452585.db2.gz NHBCEWHUFKMVJU-INIZCTEOSA-N 1 0 337.376 1.315 20 5 EDBDRO Cc1c(Br)c(N2C[C@@H](O)[C@@H]([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000359980983 445512964 /nfs/dbraw/zinc/51/29/64/445512964.db2.gz JDMJXLMSTMBTCV-VHSXEESVSA-N 1 0 345.197 1.172 20 5 EDBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363020876 445652528 /nfs/dbraw/zinc/65/25/28/445652528.db2.gz WYFNWZAPZIGYTI-KGLIPLIRSA-N 1 0 346.387 1.068 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000356225136 445685751 /nfs/dbraw/zinc/68/57/51/445685751.db2.gz RQJAYVZZCQTISM-AWEZNQCLSA-N 1 0 343.387 1.723 20 5 EDBDRO COC(=O)C(C)(C)CC[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000349969968 445737381 /nfs/dbraw/zinc/73/73/81/445737381.db2.gz GPVOAFPSXPGQOE-AWEZNQCLSA-N 1 0 349.387 1.879 20 5 EDBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)Cn2cccn2)cc1[N+](=O)[O-] ZINC000353771888 445748001 /nfs/dbraw/zinc/74/80/01/445748001.db2.gz BVQBLIVIDDQEDT-LBPRGKRZSA-N 1 0 348.359 1.521 20 5 EDBDRO O=C(NCC[N@H+]1CC=CCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000350087957 445766170 /nfs/dbraw/zinc/76/61/70/445766170.db2.gz SWSVMVSWMGKBCP-UHFFFAOYSA-N 1 0 341.371 1.772 20 5 EDBDRO Cc1cc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)cc([N+](=O)[O-])c1F ZINC000369065753 445906510 /nfs/dbraw/zinc/90/65/10/445906510.db2.gz PVHTUICAUYOIED-JTQLQIEISA-N 1 0 331.369 1.463 20 5 EDBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000356731290 445974123 /nfs/dbraw/zinc/97/41/23/445974123.db2.gz OUTCBJLMSOTKHM-SWLSCSKDSA-N 1 0 329.360 1.504 20 5 EDBDRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000369273498 446036591 /nfs/dbraw/zinc/03/65/91/446036591.db2.gz HBIOQBVWOHOFKF-AWEZNQCLSA-N 1 0 332.404 1.493 20 5 EDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000373141676 446056124 /nfs/dbraw/zinc/05/61/24/446056124.db2.gz QHNRCHWPSZAERS-HUUCEWRRSA-N 1 0 335.404 1.895 20 5 EDBDRO C[C@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000583861181 326153797 /nfs/dbraw/zinc/15/37/97/326153797.db2.gz ZVLINQJBBXVNTK-QWHCGFSZSA-N 1 0 336.392 1.661 20 5 EDBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCN(c2cnccn2)CC1 ZINC000369305682 446060545 /nfs/dbraw/zinc/06/05/45/446060545.db2.gz LWTQSZLQSCKNHS-UHFFFAOYSA-N 1 0 331.380 1.182 20 5 EDBDRO O=C1O[C@@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC12CCC2 ZINC000373218678 446101839 /nfs/dbraw/zinc/10/18/39/446101839.db2.gz IFVRCUHGNYWEAZ-CYBMUJFWSA-N 1 0 334.376 1.914 20 5 EDBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000356899456 446106771 /nfs/dbraw/zinc/10/67/71/446106771.db2.gz SDGDFWCIRMDWBR-NEPJUHHUSA-N 1 0 339.367 1.190 20 5 EDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(Oc3cnccn3)CC2)c1 ZINC000373230613 446107612 /nfs/dbraw/zinc/10/76/12/446107612.db2.gz NQLNFTUIOUXUKW-INIZCTEOSA-N 1 0 344.371 1.962 20 5 EDBDRO COCC(=O)N1CCC([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000356926105 446130665 /nfs/dbraw/zinc/13/06/65/446130665.db2.gz TZERPFVNPDUFGR-GQCTYLIASA-N 1 0 333.388 1.835 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000366374555 446178562 /nfs/dbraw/zinc/17/85/62/446178562.db2.gz YLGPOGRIBNFNSI-CYBMUJFWSA-N 1 0 325.390 1.324 20 5 EDBDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000373434142 446215747 /nfs/dbraw/zinc/21/57/47/446215747.db2.gz BQZLZOLAPGRAST-JOQOYGCGSA-N 1 0 347.415 1.786 20 5 EDBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000370366056 446248967 /nfs/dbraw/zinc/24/89/67/446248967.db2.gz IRVFJKTXYNXQMS-HOCLYGCPSA-N 1 0 332.404 1.873 20 5 EDBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)c1 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345.403 2.451 20 5 EDBDRO C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C[NH2+]1 ZINC000420382805 446559197 /nfs/dbraw/zinc/55/91/97/446559197.db2.gz DGOCLBAAEQRXBP-NXEZZACHSA-N 1 0 326.784 1.869 20 5 EDBDRO CC(C)[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@H](C)[NH3+] ZINC000423423485 446529775 /nfs/dbraw/zinc/52/97/75/446529775.db2.gz ZVWDMVKXTCVENM-ZOWXZIJZSA-N 1 0 335.408 1.622 20 5 EDBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCSC1 ZINC000433207769 446547995 /nfs/dbraw/zinc/54/79/95/446547995.db2.gz SEFJYXFKMWYTAF-CQSZACIVSA-N 1 0 341.433 1.601 20 5 EDBDRO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420441905 446617163 /nfs/dbraw/zinc/61/71/63/446617163.db2.gz PEZWXOQRXRMWIK-BQBZGAKWSA-N 1 0 341.311 1.628 20 5 EDBDRO C[C@H]1C[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC[NH2+]1 ZINC000418616125 446617280 /nfs/dbraw/zinc/61/72/80/446617280.db2.gz YKJFLDBYQLXOPI-NWDGAFQWSA-N 1 0 334.376 1.508 20 5 EDBDRO 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ZINC000375188402 446631652 /nfs/dbraw/zinc/63/16/52/446631652.db2.gz SWIDTHYYUCBISO-OAHLLOKOSA-N 1 0 336.388 1.837 20 5 EDBDRO O=C(NC[C@H]1C[NH2+]CCO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418774279 446691913 /nfs/dbraw/zinc/69/19/13/446691913.db2.gz UZKXTPPOVXAQPC-OAHLLOKOSA-N 1 0 334.376 1.257 20 5 EDBDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418778345 446695564 /nfs/dbraw/zinc/69/55/64/446695564.db2.gz INMPDEXQXLXWQZ-WCQYABFASA-N 1 0 336.392 1.262 20 5 EDBDRO C[C@@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000418788547 446703816 /nfs/dbraw/zinc/70/38/16/446703816.db2.gz VWKQGEZOOONVIK-BNOWGMLFSA-N 1 0 346.387 1.125 20 5 EDBDRO Cc1ccc([C@H]([NH3+])C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000423827103 446716689 /nfs/dbraw/zinc/71/66/89/446716689.db2.gz NLYIYSOMYZGOCX-INIZCTEOSA-N 1 0 343.387 1.963 20 5 EDBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c2nonc21 ZINC000371282983 446740773 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EDBDRO COc1ccc(OCC[N@@H+](C)C2CCN(OC)CC2)c([N+](=O)[O-])c1 ZINC000459591132 447715664 /nfs/dbraw/zinc/71/56/64/447715664.db2.gz SILDTJSOJYILDQ-UHFFFAOYSA-N 1 0 339.392 1.940 20 5 EDBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000569723783 447877559 /nfs/dbraw/zinc/87/75/59/447877559.db2.gz NQBFHSSMZSPDLN-BDAKNGLRSA-N 1 0 342.783 1.106 20 5 EDBDRO COc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc([N+](=O)[O-])c1OC ZINC000525570413 448005220 /nfs/dbraw/zinc/00/52/20/448005220.db2.gz CBRCTDMSGNUROR-CYBMUJFWSA-N 1 0 349.387 1.922 20 5 EDBDRO Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000553094002 447973038 /nfs/dbraw/zinc/97/30/38/447973038.db2.gz RPBQUTAVHCCRGA-FZMZJTMJSA-N 1 0 334.376 1.727 20 5 EDBDRO COCC[N@H+](C)CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491576872 448061639 /nfs/dbraw/zinc/06/16/39/448061639.db2.gz PZGVYYPVINIEQM-XQRVVYSFSA-N 1 0 325.340 1.442 20 5 EDBDRO CO[C@@](C)(C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000576512303 448071288 /nfs/dbraw/zinc/07/12/88/448071288.db2.gz WVUMNPSIWBUDBV-HNNXBMFYSA-N 1 0 342.417 1.773 20 5 EDBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000507504295 448143795 /nfs/dbraw/zinc/14/37/95/448143795.db2.gz ITZZNSDYOZKHKB-DGCLKSJQSA-N 1 0 329.360 1.883 20 5 EDBDRO CC(C)(C(=O)NC[C@]1(O)C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000514796106 448205365 /nfs/dbraw/zinc/20/53/65/448205365.db2.gz CIKQSYXJRAKAOC-SFHVURJKSA-N 1 0 347.415 1.445 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000571979333 448252001 /nfs/dbraw/zinc/25/20/01/448252001.db2.gz KTULCXGCDZLJDN-NSHDSACASA-N 1 0 348.403 1.608 20 5 EDBDRO O=[N+]([O-])c1cncc(Br)c1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591437019 448363558 /nfs/dbraw/zinc/36/35/58/448363558.db2.gz DPIBSJZJOOOCSM-WPRPVWTQSA-N 1 0 327.182 1.941 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591447824 448365653 /nfs/dbraw/zinc/36/56/53/448365653.db2.gz AHMQJKOGWCITSV-CJNGLKHVSA-N 1 0 332.404 1.916 20 5 EDBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591448665 448367168 /nfs/dbraw/zinc/36/71/68/448367168.db2.gz LZRGIMJYWGBQMG-OCCSQVGLSA-N 1 0 346.387 1.577 20 5 EDBDRO Nc1nccc(C(=O)NCCCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000566434980 448468992 /nfs/dbraw/zinc/46/89/92/448468992.db2.gz KZPLQMAKJRKJIZ-UHFFFAOYSA-N 1 0 335.408 1.958 20 5 EDBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc2ccccc2[nH]1 ZINC000591723929 448472815 /nfs/dbraw/zinc/47/28/15/448472815.db2.gz SSUSTBRBVWGXHI-PWSUYJOCSA-N 1 0 330.348 1.379 20 5 EDBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1cccc(O)c1 ZINC000536443040 448524505 /nfs/dbraw/zinc/52/45/05/448524505.db2.gz XNFYXNPPFONEFX-UHFFFAOYSA-N 1 0 346.387 1.843 20 5 EDBDRO [NH3+]C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCCC1 ZINC000584833583 448648443 /nfs/dbraw/zinc/64/84/43/448648443.db2.gz DYOVHYBMXWYYAM-GFCCVEGCSA-N 1 0 335.360 1.961 20 5 EDBDRO C[C@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000584792214 448634732 /nfs/dbraw/zinc/63/47/32/448634732.db2.gz MIFKCTZIIVPAOT-CYBMUJFWSA-N 1 0 341.433 1.994 20 5 EDBDRO CC(C)Oc1nc(NCC2([NH+](C)C)CCOCC2)ccc1[N+](=O)[O-] ZINC000518562614 448693137 /nfs/dbraw/zinc/69/31/37/448693137.db2.gz MTPPFIDPYVRZIE-UHFFFAOYSA-N 1 0 338.408 2.300 20 5 EDBDRO NS(=O)(=O)c1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000573753529 448703513 /nfs/dbraw/zinc/70/35/13/448703513.db2.gz APZDKFOWPPZTAC-JTQLQIEISA-N 1 0 340.405 1.138 20 5 EDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3ccccc3F)CCC2)c1 ZINC000592144242 448704082 /nfs/dbraw/zinc/70/40/82/448704082.db2.gz GAUCNXHZXLDXTN-CYBMUJFWSA-N 1 0 334.351 1.960 20 5 EDBDRO O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000592153566 448714403 /nfs/dbraw/zinc/71/44/03/448714403.db2.gz BYCYSGLSUFLTMR-OAHLLOKOSA-N 1 0 343.387 1.430 20 5 EDBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000567384023 448681957 /nfs/dbraw/zinc/68/19/57/448681957.db2.gz NLTXLEFRUVLZFO-HAQNSBGRSA-N 1 0 349.387 1.861 20 5 EDBDRO [NH3+][C@H]1CCC[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000518999478 448732871 /nfs/dbraw/zinc/73/28/71/448732871.db2.gz CIWMYVSJEVBSTO-NWDGAFQWSA-N 1 0 327.406 1.228 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCCCO2)cc1 ZINC000519024997 448733482 /nfs/dbraw/zinc/73/34/82/448733482.db2.gz ACIFVCCMEYZDTC-ZDUSSCGKSA-N 1 0 328.390 1.527 20 5 EDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CC[C@H](CO)CC2)cc1 ZINC000579239502 448750581 /nfs/dbraw/zinc/75/05/81/448750581.db2.gz AKURIQIUBXKVTE-JOCQHMNTSA-N 1 0 342.417 1.509 20 5 EDBDRO O=[N+]([O-])c1cccc(-n2cc(-c3nc([C@@H]4CCC[NH2+]4)no3)nn2)c1 ZINC000592356729 448803931 /nfs/dbraw/zinc/80/39/31/448803931.db2.gz GVOBUIJLOQOZNA-NSHDSACASA-N 1 0 327.304 1.650 20 5 EDBDRO C[C@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000574171050 448810005 /nfs/dbraw/zinc/81/00/05/448810005.db2.gz SMGHAQYZZRVHPX-GFCCVEGCSA-N 1 0 342.421 1.389 20 5 EDBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000592375746 448811491 /nfs/dbraw/zinc/81/14/91/448811491.db2.gz WWQSATRGLOZEDR-SNVBAGLBSA-N 1 0 331.394 1.399 20 5 EDBDRO CC1([NH3+])CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 ZINC000592331723 448794507 /nfs/dbraw/zinc/79/45/07/448794507.db2.gz YERLSUDZPJKUGM-UHFFFAOYSA-N 1 0 348.403 1.385 20 5 EDBDRO CC[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1[NH3+] ZINC000592331055 448794778 /nfs/dbraw/zinc/79/47/78/448794778.db2.gz HQHQXWYNGYYMIL-ZYHUDNBSSA-N 1 0 335.360 1.565 20 5 EDBDRO CC[C@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000592331423 448794823 /nfs/dbraw/zinc/79/48/23/448794823.db2.gz KDXWNMFJEIKAOG-WFASDCNBSA-N 1 0 348.403 1.301 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000592342958 448799706 /nfs/dbraw/zinc/79/97/06/448799706.db2.gz PBWLYPKQCCPLOO-HNNXBMFYSA-N 1 0 335.408 1.336 20 5 EDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC[C@@H](O)C(F)(F)F ZINC000592430577 448832660 /nfs/dbraw/zinc/83/26/60/448832660.db2.gz SIYCEADQMIMQBR-BXKDBHETSA-N 1 0 338.282 1.237 20 5 EDBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[N@@H+]2CC[C@@H](C)C2)c1F ZINC000574289870 448839131 /nfs/dbraw/zinc/83/91/31/448839131.db2.gz YIKLRKBMMDHOGZ-LLVKDONJSA-N 1 0 339.367 1.743 20 5 EDBDRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CN1 ZINC000579670403 448844808 /nfs/dbraw/zinc/84/48/08/448844808.db2.gz NUOVGOAJTJUIHA-ABAIWWIYSA-N 1 0 343.387 1.962 20 5 EDBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CCN2CC[NH2+]CC2)c1 ZINC000592469390 448850829 /nfs/dbraw/zinc/85/08/29/448850829.db2.gz MREQWECIDJHIOB-UHFFFAOYSA-N 1 0 338.433 1.294 20 5 EDBDRO CC[C@@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000592489659 448859907 /nfs/dbraw/zinc/85/99/07/448859907.db2.gz ZCGUXSHBDJDCEM-IUODEOHRSA-N 1 0 341.433 1.428 20 5 EDBDRO C[NH+](C)[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000547731020 448920486 /nfs/dbraw/zinc/92/04/86/448920486.db2.gz RQIWLGJCDCOFBX-CYBMUJFWSA-N 1 0 347.350 1.744 20 5 EDBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000574652797 448927096 /nfs/dbraw/zinc/92/70/96/448927096.db2.gz YOGXQIQFAVJPQK-LBPRGKRZSA-N 1 0 327.406 1.442 20 5 EDBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1OC ZINC000568870543 448931826 /nfs/dbraw/zinc/93/18/26/448931826.db2.gz FYKQWEXPWHAMFG-SMDDNHRTSA-N 1 0 349.387 1.826 20 5 EDBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)[NH+]2CCCC2)c1C ZINC000548043446 448974949 /nfs/dbraw/zinc/97/49/49/448974949.db2.gz IEZGDTWKNUZFAY-LBPRGKRZSA-N 1 0 341.433 1.974 20 5 EDBDRO CC(C)Oc1nc(NC[C@H]2CCC[N@@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000520838159 448937916 /nfs/dbraw/zinc/93/79/16/448937916.db2.gz RPKGYKBJRNGKOS-CYBMUJFWSA-N 1 0 338.408 2.036 20 5 EDBDRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000588867591 448943139 /nfs/dbraw/zinc/94/31/39/448943139.db2.gz ZYWOZWKPPVSRDE-GFCCVEGCSA-N 1 0 349.412 1.996 20 5 EDBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588864070 448943653 /nfs/dbraw/zinc/94/36/53/448943653.db2.gz ZYSUEAJYXOVWFL-HZPDHXFCSA-N 1 0 333.388 1.195 20 5 EDBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000592870402 449028623 /nfs/dbraw/zinc/02/86/23/449028623.db2.gz CPTVSYAPEMMYRI-ZDUSSCGKSA-N 1 0 348.403 1.404 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000589926700 449080955 /nfs/dbraw/zinc/08/09/55/449080955.db2.gz YROYKYULFRVNTK-RISCZKNCSA-N 1 0 325.390 1.228 20 5 EDBDRO C[N@@H+]1C[C@H]2CCN(CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)[C@H]2C1 ZINC000590010812 449095265 /nfs/dbraw/zinc/09/52/65/449095265.db2.gz YSEBFBYXHCCMIL-DOMZBBRYSA-N 1 0 346.387 1.529 20 5 EDBDRO Cc1c(NC(=O)CCN2CC[C@H]3C[N@@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590011752 449096662 /nfs/dbraw/zinc/09/66/62/449096662.db2.gz ORTVELYIJLKZOJ-BBRMVZONSA-N 1 0 332.404 1.868 20 5 EDBDRO C[C@@H]1CC[C@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C[NH2+]1 ZINC000599937497 449116285 /nfs/dbraw/zinc/11/62/85/449116285.db2.gz DJYIMORFZYXQCL-KGLIPLIRSA-N 1 0 347.419 1.567 20 5 EDBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(Cn3cnnc3)CC2)cc1 ZINC000593075565 449123871 /nfs/dbraw/zinc/12/38/71/449123871.db2.gz HPYQJYOEBJVAOW-UHFFFAOYSA-N 1 0 331.376 1.977 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000590441249 449163236 /nfs/dbraw/zinc/16/32/36/449163236.db2.gz CSSOQKQJFLHLGN-NHYWBVRUSA-N 1 0 347.371 1.548 20 5 EDBDRO CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)C1CC[NH+](C)CC1 ZINC000599985596 449138083 /nfs/dbraw/zinc/13/80/83/449138083.db2.gz HFZIDGLFZSTFRT-UHFFFAOYSA-N 1 0 337.424 1.741 20 5 EDBDRO CSc1ccc(C(=O)N[C@H](CO)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000590371988 449138744 /nfs/dbraw/zinc/13/87/44/449138744.db2.gz RPRCBJJSGFMCTJ-LBPRGKRZSA-N 1 0 339.417 1.503 20 5 EDBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000590390333 449144689 /nfs/dbraw/zinc/14/46/89/449144689.db2.gz YCSWIUSWEJVRPE-GFCCVEGCSA-N 1 0 334.376 1.315 20 5 EDBDRO CCN1C[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000593689140 449148752 /nfs/dbraw/zinc/14/87/52/449148752.db2.gz JJWHHOQKDWUZEF-STQMWFEESA-N 1 0 348.403 1.770 20 5 EDBDRO C[C@]12COC[C@@H]1C[N@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000595755401 449149499 /nfs/dbraw/zinc/14/94/99/449149499.db2.gz ADKPVEBKJCBJPD-SJCJKPOMSA-N 1 0 347.371 1.861 20 5 EDBDRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000597990299 449175465 /nfs/dbraw/zinc/17/54/65/449175465.db2.gz LBTZRALABWGXSS-AWEZNQCLSA-N 1 0 345.355 1.684 20 5 EDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[C@H](C)[NH+](C)C ZINC000597996322 449181037 /nfs/dbraw/zinc/18/10/37/449181037.db2.gz IQDVXNSHKXMKQQ-NWDGAFQWSA-N 1 0 336.392 1.170 20 5 EDBDRO COCC1([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000590601309 449215311 /nfs/dbraw/zinc/21/53/11/449215311.db2.gz RAOOQNUURARRKS-UHFFFAOYSA-N 1 0 349.387 1.269 20 5 EDBDRO CC(C)[N@H+](C)C[C@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000590604480 449217235 /nfs/dbraw/zinc/21/72/35/449217235.db2.gz IRTZEPSEHDXVSA-KRWDZBQOSA-N 1 0 336.436 1.418 20 5 EDBDRO O=C(C[N@@H+]1CC[C@@H]2COC[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595826928 449190955 /nfs/dbraw/zinc/19/09/55/449190955.db2.gz BDPLGQHLCZDFNG-ZIAGYGMSSA-N 1 0 331.372 1.452 20 5 EDBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000593925667 449291817 /nfs/dbraw/zinc/29/18/17/449291817.db2.gz PUCMYVIBAXBCCT-ZIAGYGMSSA-N 1 0 341.371 2.454 20 5 EDBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000593925665 449291967 /nfs/dbraw/zinc/29/19/67/449291967.db2.gz PUCMYVIBAXBCCT-KGLIPLIRSA-N 1 0 341.371 2.454 20 5 EDBDRO COCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593459983 449295711 /nfs/dbraw/zinc/29/57/11/449295711.db2.gz YLMKLHCRPCZBRE-ZDUSSCGKSA-N 1 0 325.340 1.113 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[N@@H+]1CCCC[C@H]1C ZINC000593528561 449326265 /nfs/dbraw/zinc/32/62/65/449326265.db2.gz NHMFPTKRGQNRCR-NEPJUHHUSA-N 1 0 342.421 1.531 20 5 EDBDRO COC(=O)c1cc(C)nc(NCCC[N@H+](C)CC(C)C)c1[N+](=O)[O-] ZINC000593480648 449303270 /nfs/dbraw/zinc/30/32/70/449303270.db2.gz VAJIUMYADVTPQW-UHFFFAOYSA-N 1 0 338.408 2.475 20 5 EDBDRO CC[N@H+](CCCNc1nccc(C(N)=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000593488497 449306752 /nfs/dbraw/zinc/30/67/52/449306752.db2.gz JWHMAUJLDZYWEP-UHFFFAOYSA-N 1 0 349.435 2.545 20 5 EDBDRO CC[NH+]1CCN([C@H](C)CNc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000611525605 449321427 /nfs/dbraw/zinc/32/14/27/449321427.db2.gz ODABDNLGWSRYFR-GFCCVEGCSA-N 1 0 337.424 1.107 20 5 EDBDRO COC(=O)c1cc(C(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])cc([N+](=O)[O-])c1 ZINC000593915973 449283209 /nfs/dbraw/zinc/28/32/09/449283209.db2.gz MRUFDOHSZINVIV-ABAIWWIYSA-N 1 0 349.387 1.971 20 5 EDBDRO CCO[C@@H]1CN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593916502 449285073 /nfs/dbraw/zinc/28/50/73/449285073.db2.gz LXJKCLZRYXNMMO-QMTHXVAHSA-N 1 0 339.417 1.753 20 5 EDBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593552101 449343171 /nfs/dbraw/zinc/34/31/71/449343171.db2.gz IEBQYURHSZFHRD-UHFFFAOYSA-N 1 0 342.421 1.390 20 5 EDBDRO C[NH+](C)CCOc1ccccc1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596118219 449372170 /nfs/dbraw/zinc/37/21/70/449372170.db2.gz SRJQZEHUSFMLFG-UHFFFAOYSA-N 1 0 331.376 2.125 20 5 EDBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000593532125 449329036 /nfs/dbraw/zinc/32/90/36/449329036.db2.gz WSTZWGOCWHXTGP-NEPJUHHUSA-N 1 0 342.421 1.389 20 5 EDBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC(F)(F)CC1 ZINC000594044294 449335520 /nfs/dbraw/zinc/33/55/20/449335520.db2.gz OGHWOVIGOOOIHX-GXFFZTMASA-N 1 0 332.351 1.956 20 5 EDBDRO CC(C)N1CC[NH+](C2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC000596178187 449398563 /nfs/dbraw/zinc/39/85/63/449398563.db2.gz IUZNFMGEQWLAQX-UHFFFAOYSA-N 1 0 349.435 1.690 20 5 EDBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598509251 449434673 /nfs/dbraw/zinc/43/46/73/449434673.db2.gz KMYWVSSBVUSFHA-OAHLLOKOSA-N 1 0 343.387 1.572 20 5 EDBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596236221 449431379 /nfs/dbraw/zinc/43/13/79/449431379.db2.gz KNTIWTAXFXUOMG-SNVBAGLBSA-N 1 0 330.410 1.383 20 5 EDBDRO C[NH+](C)C1CCN(CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596151088 449386633 /nfs/dbraw/zinc/38/66/33/449386633.db2.gz MVHVJSSHJHHTAY-UHFFFAOYSA-N 1 0 335.408 1.132 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594202826 449389364 /nfs/dbraw/zinc/38/93/64/449389364.db2.gz SKAPYYHMTMQGTM-KGLIPLIRSA-N 1 0 335.408 1.623 20 5 EDBDRO COCC[N@@H+]1CCC[C@@H]1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611710717 449390825 /nfs/dbraw/zinc/39/08/25/449390825.db2.gz NLQSEKINNPFYSF-CYBMUJFWSA-N 1 0 331.376 2.061 20 5 EDBDRO C[NH+](C)C1CCC2(CC1)CCN(c1ncc([N+](=O)[O-])c(N)n1)CC2 ZINC000596255715 449442592 /nfs/dbraw/zinc/44/25/92/449442592.db2.gz RBZZXDOVZZTVSI-UHFFFAOYSA-N 1 0 334.424 2.058 20 5 EDBDRO CCc1nn(C)c(N2CCC([N@@H+]3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000596267884 449446972 /nfs/dbraw/zinc/44/69/72/449446972.db2.gz BGIBFGMNMCVNIP-UHFFFAOYSA-N 1 0 337.424 1.582 20 5 EDBDRO NC(=O)c1ccc(N2CCC([N@@H+]3CCCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000596269752 449448164 /nfs/dbraw/zinc/44/81/64/449448164.db2.gz ZUQWOXCBLXOEOT-UHFFFAOYSA-N 1 0 348.403 1.385 20 5 EDBDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000598536325 449451966 /nfs/dbraw/zinc/45/19/66/449451966.db2.gz RRGKILOVGKIOPV-CYBMUJFWSA-N 1 0 336.392 1.638 20 5 EDBDRO CC(C)Oc1cc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000594386872 449486448 /nfs/dbraw/zinc/48/64/48/449486448.db2.gz NTEBNYNVKKKXGL-UONOGXRCSA-N 1 0 349.387 1.273 20 5 EDBDRO Cc1ccc(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000598603154 449487488 /nfs/dbraw/zinc/48/74/88/449487488.db2.gz YGVFQGNOFHSRJT-LLVKDONJSA-N 1 0 341.433 1.973 20 5 EDBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594394278 449490584 /nfs/dbraw/zinc/49/05/84/449490584.db2.gz WETFGDJJZAJWAQ-NWDGAFQWSA-N 1 0 342.355 1.034 20 5 EDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000596246667 449436994 /nfs/dbraw/zinc/43/69/94/449436994.db2.gz XWEXQFPJLLNDLP-BDAKNGLRSA-N 1 0 333.435 1.589 20 5 EDBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000596253926 449440949 /nfs/dbraw/zinc/44/09/49/449440949.db2.gz HNZHTCYIDYRWLA-UHFFFAOYSA-N 1 0 339.440 1.697 20 5 EDBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000596488408 449525739 /nfs/dbraw/zinc/52/57/39/449525739.db2.gz MEBHNWMHUIMUFV-OAHLLOKOSA-N 1 0 334.376 1.658 20 5 EDBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cc(=O)[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC000598668238 449529718 /nfs/dbraw/zinc/52/97/18/449529718.db2.gz QXZVLBPGUWAUFV-DYZYQPBXSA-N 1 0 342.355 1.802 20 5 EDBDRO O=C1[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1C1CCC1 ZINC000600759465 449537571 /nfs/dbraw/zinc/53/75/71/449537571.db2.gz GPNKJGNFOHHECA-KGLIPLIRSA-N 1 0 349.387 1.078 20 5 EDBDRO O=[N+]([O-])c1cnc(NCC2CC[NH+](Cc3ccncc3)CC2)nc1 ZINC000596442777 449505201 /nfs/dbraw/zinc/50/52/01/449505201.db2.gz ULAVSHSZILNCOR-UHFFFAOYSA-N 1 0 328.376 2.104 20 5 EDBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596449393 449508131 /nfs/dbraw/zinc/50/81/31/449508131.db2.gz HSHCGADCDDDYHY-ZDUSSCGKSA-N 1 0 337.424 1.988 20 5 EDBDRO Cn1[nH]c([C@H]2CCC[NH2+]2)nc1=NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000596484609 449524325 /nfs/dbraw/zinc/52/43/25/449524325.db2.gz WCCLMUYCCBVMKD-LLVKDONJSA-N 1 0 349.326 1.353 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000598716871 449560442 /nfs/dbraw/zinc/56/04/42/449560442.db2.gz UKMYTOVHZIYNKV-CHWSQXEVSA-N 1 0 341.433 1.960 20 5 EDBDRO O=C(NCc1cn([C@H]2CCC[NH2+]C2)nn1)Nc1ccccc1[N+](=O)[O-] ZINC000594656426 449610580 /nfs/dbraw/zinc/61/05/80/449610580.db2.gz UMKFXSVWFZBDNK-LBPRGKRZSA-N 1 0 345.363 1.433 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000602548845 449667581 /nfs/dbraw/zinc/66/75/81/449667581.db2.gz GMNWZBXVJOXNFZ-UHFFFAOYSA-N 1 0 337.420 1.928 20 5 EDBDRO C[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C(=O)N1c1cnn(C)c1 ZINC000602558707 449673216 /nfs/dbraw/zinc/67/32/16/449673216.db2.gz DFVWYJNGXRJCSA-LRDDRELGSA-N 1 0 343.387 1.654 20 5 EDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCn4ccnc4C3)CC2)cn1 ZINC000602623315 449713454 /nfs/dbraw/zinc/71/34/54/449713454.db2.gz OOJFXUDZJQNURA-CQSZACIVSA-N 1 0 342.403 1.760 20 5 EDBDRO CN1CC[NH+](CC2CN(c3ccc([N+](=O)[O-])c4cnccc43)C2)CC1 ZINC000599097252 449729536 /nfs/dbraw/zinc/72/95/36/449729536.db2.gz CEMODHCCNJVYDH-UHFFFAOYSA-N 1 0 341.415 1.827 20 5 EDBDRO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000599104541 449735155 /nfs/dbraw/zinc/73/51/55/449735155.db2.gz DAFSPHXACMPJLB-UHFFFAOYSA-N 1 0 345.421 1.068 20 5 EDBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC[C@@H](O)C2)nc1-c1ccccc1 ZINC000599176274 449780364 /nfs/dbraw/zinc/78/03/64/449780364.db2.gz OWVODEIOEZTBCI-CQSZACIVSA-N 1 0 328.372 2.135 20 5 EDBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000612580648 449784535 /nfs/dbraw/zinc/78/45/35/449784535.db2.gz OKLNHCMXCCODJZ-MLGOLLRUSA-N 1 0 343.387 1.920 20 5 EDBDRO CCOC(=O)c1cc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000614712523 449766895 /nfs/dbraw/zinc/76/68/95/449766895.db2.gz HKZDNBVHSZPADI-HUUCEWRRSA-N 1 0 349.387 1.984 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cnn4c3CCC4)C2)nc1 ZINC000597014773 449768333 /nfs/dbraw/zinc/76/83/33/449768333.db2.gz RVOSZBDJDFKMPF-ZDUSSCGKSA-N 1 0 328.376 1.819 20 5 EDBDRO C[NH+](C)CCn1cc(C(=O)NCCc2ccccc2[N+](=O)[O-])cn1 ZINC000601249744 449774179 /nfs/dbraw/zinc/77/41/79/449774179.db2.gz GFORVMDIIIBJSR-UHFFFAOYSA-N 1 0 331.376 1.325 20 5 EDBDRO CN(CC1C[NH+](C)C1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597092322 449807631 /nfs/dbraw/zinc/80/76/31/449807631.db2.gz KZAGTMDKOSLONA-UHFFFAOYSA-N 1 0 327.772 1.856 20 5 EDBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000602819993 449832477 /nfs/dbraw/zinc/83/24/77/449832477.db2.gz WEMMQWGWCQZWFM-JQWIXIFHSA-N 1 0 336.314 1.735 20 5 EDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601330633 449838063 /nfs/dbraw/zinc/83/80/63/449838063.db2.gz VTDFQBBTOYBYGV-TXEJJXNPSA-N 1 0 334.376 1.368 20 5 EDBDRO Cc1cc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])s1 ZINC000601344598 449854180 /nfs/dbraw/zinc/85/41/80/449854180.db2.gz XTTLUDVOHUXPPA-GFCCVEGCSA-N 1 0 331.419 1.339 20 5 EDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000601351316 449863645 /nfs/dbraw/zinc/86/36/45/449863645.db2.gz DLUZZVXSBSXKJR-SMDDNHRTSA-N 1 0 325.390 1.357 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H](O)CC3(O)CCC3)C2)nc1 ZINC000599326227 449894984 /nfs/dbraw/zinc/89/49/84/449894984.db2.gz TYJBBHXONWMJGI-OCCSQVGLSA-N 1 0 336.392 1.142 20 5 EDBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000601420670 449937109 /nfs/dbraw/zinc/93/71/09/449937109.db2.gz FCYXSVBEGOHFDD-RISCZKNCSA-N 1 0 327.406 1.449 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000601420255 449937422 /nfs/dbraw/zinc/93/74/22/449937422.db2.gz CPZVWPWFJMOLHI-QWHCGFSZSA-N 1 0 341.433 1.925 20 5 EDBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000608960014 449953330 /nfs/dbraw/zinc/95/33/30/449953330.db2.gz UCSPKSYJOCILNL-RYUDHWBXSA-N 1 0 347.371 1.723 20 5 EDBDRO Cc1cc(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000601393678 449909065 /nfs/dbraw/zinc/90/90/65/449909065.db2.gz FXAATDFKZWIIEQ-UHFFFAOYSA-N 1 0 345.396 1.757 20 5 EDBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000595228706 449960121 /nfs/dbraw/zinc/96/01/21/449960121.db2.gz HOECRKAZJBICDG-ADEWGFFLSA-N 1 0 338.412 1.023 20 5 EDBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000602959776 449960288 /nfs/dbraw/zinc/96/02/88/449960288.db2.gz GPGFGKVRNISOAH-STQMWFEESA-N 1 0 333.392 1.811 20 5 EDBDRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595243900 449971265 /nfs/dbraw/zinc/97/12/65/449971265.db2.gz YYRIKCOHGBYOMQ-UHFFFAOYSA-N 1 0 338.751 1.055 20 5 EDBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000609190577 449975316 /nfs/dbraw/zinc/97/53/16/449975316.db2.gz HXMOCQFNEYUSAO-UHFFFAOYSA-N 1 0 348.403 1.673 20 5 EDBDRO C[NH+](C)CCn1cc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)cn1 ZINC000609440397 450028372 /nfs/dbraw/zinc/02/83/72/450028372.db2.gz WMKRZCHTIHZVMQ-UHFFFAOYSA-N 1 0 347.375 1.736 20 5 EDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609531547 450044450 /nfs/dbraw/zinc/04/44/50/450044450.db2.gz TZTISTQVWJIBLM-NSHDSACASA-N 1 0 335.360 1.928 20 5 EDBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000609548640 450048198 /nfs/dbraw/zinc/04/81/98/450048198.db2.gz RHXHVQFLZQXFSD-SNVBAGLBSA-N 1 0 330.344 1.673 20 5 EDBDRO COc1ccc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000609572557 450055329 /nfs/dbraw/zinc/05/53/29/450055329.db2.gz CXJFMMTZVKRHSX-HOCLYGCPSA-N 1 0 335.404 1.634 20 5 EDBDRO O=C1[C@@H](N2CC[NH+](C3CCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000609631853 450076598 /nfs/dbraw/zinc/07/65/98/450076598.db2.gz MJXPWJQGGXTHSC-KRWDZBQOSA-N 1 0 344.415 1.870 20 5 EDBDRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000599609824 450101857 /nfs/dbraw/zinc/10/18/57/450101857.db2.gz BLIFPDWKIXODPV-BDAKNGLRSA-N 1 0 347.297 1.403 20 5 EDBDRO C[C@@H]1C[NH+](CCCNc2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000609849822 450105395 /nfs/dbraw/zinc/10/53/95/450105395.db2.gz MYKYSNVMLSOOQK-CHWSQXEVSA-N 1 0 345.403 2.449 20 5 EDBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000595411996 450125356 /nfs/dbraw/zinc/12/53/56/450125356.db2.gz JVOSHNRJBLKMIC-LBPRGKRZSA-N 1 0 327.406 1.522 20 5 EDBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610269371 450176077 /nfs/dbraw/zinc/17/60/77/450176077.db2.gz KRZCRQJTKQVAMY-LBPRGKRZSA-N 1 0 342.421 1.342 20 5 EDBDRO C[NH+](C)CC1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000597707770 450211174 /nfs/dbraw/zinc/21/11/74/450211174.db2.gz FZJRWUDFXNEISR-UHFFFAOYSA-N 1 0 342.193 1.991 20 5 EDBDRO CC(C)(CO)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccnc1 ZINC000595502283 450190437 /nfs/dbraw/zinc/19/04/37/450190437.db2.gz YFNMICQPQZUOMP-INIZCTEOSA-N 1 0 346.387 1.501 20 5 EDBDRO CCCOc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000610336071 450194736 /nfs/dbraw/zinc/19/47/36/450194736.db2.gz HWMJFXGLYBHOPT-HNNXBMFYSA-N 1 0 334.376 1.731 20 5 EDBDRO Cc1noc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c1[N+](=O)[O-] ZINC000595589381 450250909 /nfs/dbraw/zinc/25/09/09/450250909.db2.gz ZKRFAJRUJVOKLP-CQSZACIVSA-N 1 0 325.365 1.549 20 5 EDBDRO Nc1c(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000610520755 450252287 /nfs/dbraw/zinc/25/22/87/450252287.db2.gz HXNNCEAKEMBEEC-ZDUSSCGKSA-N 1 0 348.403 1.504 20 5 EDBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](CO)Cc1ccccc1 ZINC000595593914 450252766 /nfs/dbraw/zinc/25/27/66/450252766.db2.gz BLWBETPMRNJAPN-INIZCTEOSA-N 1 0 343.383 1.729 20 5 EDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000603422971 450295121 /nfs/dbraw/zinc/29/51/21/450295121.db2.gz KWZSXHPUTBCVKO-MRXNPFEDSA-N 1 0 334.420 1.803 20 5 EDBDRO Cn1c(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000603561912 450324351 /nfs/dbraw/zinc/32/43/51/450324351.db2.gz PZNVNLKXYWVVBS-ZDUSSCGKSA-N 1 0 336.392 1.260 20 5 EDBDRO Cn1c(C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)ccc1[N+](=O)[O-] ZINC000610761962 450326459 /nfs/dbraw/zinc/32/64/59/450326459.db2.gz QMNXMINTOHXJGN-LBPRGKRZSA-N 1 0 344.371 1.903 20 5 EDBDRO C[NH+]1CC2(C1)CCN(C(=O)c1cc(=O)[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC000618920884 450341355 /nfs/dbraw/zinc/34/13/55/450341355.db2.gz HALKKOIDRLYJPY-UHFFFAOYSA-N 1 0 342.355 1.626 20 5 EDBDRO CCc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000619873329 450349284 /nfs/dbraw/zinc/34/92/84/450349284.db2.gz DPEREWFBPHHTKL-OAHLLOKOSA-N 1 0 332.404 1.277 20 5 EDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000154686826 533895725 /nfs/dbraw/zinc/89/57/25/533895725.db2.gz PSRKGZIVTAJYTA-WFASDCNBSA-N 1 0 341.433 1.697 20 5 EDBDRO CSc1ccc(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000153019223 534185438 /nfs/dbraw/zinc/18/54/38/534185438.db2.gz APJQXKPBGCGGGE-CQSZACIVSA-N 1 0 327.406 1.359 20 5 EDBDRO Cc1cnc(C(C)(C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000183919241 534537359 /nfs/dbraw/zinc/53/73/59/534537359.db2.gz MWDDAEHQIKUTJA-LLVKDONJSA-N 1 0 325.394 1.442 20 5 EDBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000180894406 534739524 /nfs/dbraw/zinc/73/95/24/534739524.db2.gz WLGTZLQHUOKANQ-UHFFFAOYSA-N 1 0 347.419 1.031 20 5 EDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(n3cncn3)CC2)c1 ZINC000363376718 527391371 /nfs/dbraw/zinc/39/13/71/527391371.db2.gz PPBINSQPWNIOKU-HNNXBMFYSA-N 1 0 347.375 1.263 20 5 EDBDRO CC(C)(C)CC[NH+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174747463 527664336 /nfs/dbraw/zinc/66/43/36/527664336.db2.gz SUTQJWDVPASEQJ-OAHLLOKOSA-N 1 0 339.440 1.206 20 5 EDBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000174020786 527822326 /nfs/dbraw/zinc/82/23/26/527822326.db2.gz CJVQAEKQRRHEAN-ZDUSSCGKSA-N 1 0 341.433 1.866 20 5 EDBDRO CC(C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC000271723966 535250134 /nfs/dbraw/zinc/25/01/34/535250134.db2.gz QOJGAZLREDJLBJ-LBPRGKRZSA-N 1 0 340.330 1.955 20 5 EDBDRO CCC[NH+]1CCC(CNC(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000346702363 535352519 /nfs/dbraw/zinc/35/25/19/535352519.db2.gz UFUZUMILEINZKS-UHFFFAOYSA-N 1 0 337.424 1.728 20 5 EDBDRO C[NH+](C)CCOc1cnccc1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000345285865 535918550 /nfs/dbraw/zinc/91/85/50/535918550.db2.gz YUMNWYJDVPCALC-UHFFFAOYSA-N 1 0 333.348 1.188 20 5 EDBDRO C[NH2+][C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1cnn(C)c1 ZINC000262305095 536380957 /nfs/dbraw/zinc/38/09/57/536380957.db2.gz BFNOUULGRINIPU-HNNXBMFYSA-N 1 0 329.360 1.174 20 5 EDBDRO COC(=O)c1cc(NC(=O)[C@H]2CC23CC[NH2+]CC3)cc([N+](=O)[O-])c1 ZINC000237089916 536556539 /nfs/dbraw/zinc/55/65/39/536556539.db2.gz VMFGCTWRMIAJAA-CYBMUJFWSA-N 1 0 333.344 1.710 20 5 EDBDRO COc1cc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000262200151 536892132 /nfs/dbraw/zinc/89/21/32/536892132.db2.gz KJBBKLJMFCRRRN-UHTWSYAYSA-N 1 0 349.387 1.811 20 5 EDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[N@H+](C)[C@H](C)C1 ZINC000761074625 580046641 /nfs/dbraw/zinc/04/66/41/580046641.db2.gz XZZALSZJWNTTKY-VXGBXAGGSA-N 1 0 336.392 1.566 20 5 EDBDRO CC(C)[N@@H+]1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000735882085 578932418 /nfs/dbraw/zinc/93/24/18/578932418.db2.gz OHHKIWWPRHEKDC-UHFFFAOYSA-N 1 0 331.380 1.695 20 5 EDBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)C[NH+]1CCCCC1 ZINC000736027200 578947860 /nfs/dbraw/zinc/94/78/60/578947860.db2.gz ZMHXFZNVYHOLSF-LLVKDONJSA-N 1 0 346.395 1.704 20 5 EDBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000736192467 578961296 /nfs/dbraw/zinc/96/12/96/578961296.db2.gz OQYAFTZGADTHTF-UHFFFAOYSA-N 1 0 325.340 1.311 20 5 EDBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736290801 578974209 /nfs/dbraw/zinc/97/42/09/578974209.db2.gz CBOCINHGRYLSDP-ZYHUDNBSSA-N 1 0 329.364 1.448 20 5 EDBDRO COCC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000737005447 579039820 /nfs/dbraw/zinc/03/98/20/579039820.db2.gz SBZMFRPFJZWPTH-LBPRGKRZSA-N 1 0 347.379 1.298 20 5 EDBDRO Cc1nn(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(C)c1[N+](=O)[O-] ZINC000738209242 579172579 /nfs/dbraw/zinc/17/25/79/579172579.db2.gz OSJBBWBEEOHVTK-HNNXBMFYSA-N 1 0 336.440 1.077 20 5 EDBDRO C[NH+](C)C[C@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000749391175 579724742 /nfs/dbraw/zinc/72/47/42/579724742.db2.gz AYDZGOTVLVPGFO-GFCCVEGCSA-N 1 0 341.433 1.776 20 5 EDBDRO C/C(=C/C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000751746314 579820093 /nfs/dbraw/zinc/82/00/93/579820093.db2.gz RSTYCIAUIKYZDS-RKXUAZDKSA-N 1 0 345.399 1.978 20 5 EDBDRO CC(=O)OC1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000753186806 579874426 /nfs/dbraw/zinc/87/44/26/579874426.db2.gz DZSSHIBTAPJJNH-AWEZNQCLSA-N 1 0 338.360 1.362 20 5 EDBDRO COC(=O)C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000754518630 579905181 /nfs/dbraw/zinc/90/51/81/579905181.db2.gz GGOHBYKJTLHPOB-AWEZNQCLSA-N 1 0 336.344 1.893 20 5 EDBDRO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C[N@@H+]1C ZINC000768841741 580221972 /nfs/dbraw/zinc/22/19/72/580221972.db2.gz NBEASIDALPPJHM-MNOVXSKESA-N 1 0 325.340 1.664 20 5 EDBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000769141255 580229815 /nfs/dbraw/zinc/22/98/15/580229815.db2.gz LRNWNJSKBKKDKY-VXGBXAGGSA-N 1 0 335.360 1.337 20 5 EDBDRO COC(=O)C[C@@]1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCOC1 ZINC000770699940 580268315 /nfs/dbraw/zinc/26/83/15/580268315.db2.gz PCXAPWPPPROSJF-ZBFHGGJFSA-N 1 0 338.360 1.330 20 5 EDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000776590137 580422862 /nfs/dbraw/zinc/42/28/62/580422862.db2.gz YKGPAQWFIAXZPD-YOEHRIQHSA-N 1 0 335.404 1.282 20 5 EDBDRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CN1 ZINC000776599255 580423671 /nfs/dbraw/zinc/42/36/71/580423671.db2.gz ZLIPWPLRFYMENT-CWRNSKLLSA-N 1 0 333.388 1.619 20 5 EDBDRO Cn1cc([N+](=O)[O-])c(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000780381728 580520777 /nfs/dbraw/zinc/52/07/77/580520777.db2.gz UMXMWWWHMUBDEX-ZDUSSCGKSA-N 1 0 330.344 1.760 20 5 EDBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781968197 580562018 /nfs/dbraw/zinc/56/20/18/580562018.db2.gz AMJAJCKVWQEEPJ-HOCLYGCPSA-N 1 0 348.403 1.790 20 5 EDBDRO C[C@@]1(C(N)=O)CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000794711145 580904183 /nfs/dbraw/zinc/90/41/83/580904183.db2.gz QCHHYLQSHWTDFT-OAHLLOKOSA-N 1 0 330.348 1.008 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)OCCC[N@@H+]1CCO[C@@H](C)C1 ZINC000893389769 590828827 /nfs/dbraw/zinc/82/88/27/590828827.db2.gz NQLSUHCLZOWENR-LBPRGKRZSA-N 1 0 340.380 1.144 20 5 EDBDRO COc1ccc(CNC(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000892211725 590865590 /nfs/dbraw/zinc/86/55/90/590865590.db2.gz MBEDCYAVTSUCRF-LBPRGKRZSA-N 1 0 336.392 1.744 20 5 EDBDRO Cn1ncc([N+](=O)[O-])c1NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000894204878 591227444 /nfs/dbraw/zinc/22/74/44/591227444.db2.gz DRHRLVNRYPTCIJ-UHFFFAOYSA-N 1 0 345.403 1.767 20 5 EDBDRO CC[N@@H+]1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000892971254 591243553 /nfs/dbraw/zinc/24/35/53/591243553.db2.gz OTLWNDRDUUQDLW-LBPRGKRZSA-N 1 0 330.388 1.977 20 5 EDBDRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000893024472 591259018 /nfs/dbraw/zinc/25/90/18/591259018.db2.gz IBWWIDGQRPWAGQ-KBPBESRZSA-N 1 0 337.424 1.903 20 5 EDBDRO CCn1cc(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)c(C)n1 ZINC000894800371 591420448 /nfs/dbraw/zinc/42/04/48/591420448.db2.gz CSYFZNBCYNVONJ-UHFFFAOYSA-N 1 0 330.392 1.837 20 5 EDBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC([NH+]2CCCC2)C1 ZINC000898608645 591435863 /nfs/dbraw/zinc/43/58/63/591435863.db2.gz ZVISECFCYKEJCM-UHFFFAOYSA-N 1 0 328.372 1.925 20 5 EDBDRO C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896574391 591534957 /nfs/dbraw/zinc/53/49/57/591534957.db2.gz ZOOFVXKURWKODT-YGRLFVJLSA-N 1 0 340.811 1.612 20 5 EDBDRO C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000896581624 591542357 /nfs/dbraw/zinc/54/23/57/591542357.db2.gz RJZNDHUXZZZEAN-YGRLFVJLSA-N 1 0 340.811 1.612 20 5 EDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000898842555 591559901 /nfs/dbraw/zinc/55/99/01/591559901.db2.gz WCRKAMMTBTVQFG-CHWSQXEVSA-N 1 0 335.408 1.479 20 5 EDBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)c1C ZINC000897724427 591636838 /nfs/dbraw/zinc/63/68/38/591636838.db2.gz DPMMBSMAAUZEFF-CQSZACIVSA-N 1 0 335.404 1.788 20 5 EDBDRO [NH3+]C[C@@H]1CC2(CO1)CCN(c1nc3sccn3c1[N+](=O)[O-])CC2 ZINC000900365008 591997389 /nfs/dbraw/zinc/99/73/89/591997389.db2.gz YZKNFJZBYAEDLP-JTQLQIEISA-N 1 0 337.405 1.638 20 5 EDBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000903291438 592154614 /nfs/dbraw/zinc/15/46/14/592154614.db2.gz ZCXLHRQSWGEJDX-CYBMUJFWSA-N 1 0 341.433 1.979 20 5 EDBDRO CO[C@@]1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)C1 ZINC000903372240 592162282 /nfs/dbraw/zinc/16/22/82/592162282.db2.gz XOVBOOWJPJWUDK-BXUZGUMPSA-N 1 0 328.390 1.449 20 5 EDBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000903594697 592238184 /nfs/dbraw/zinc/23/81/84/592238184.db2.gz GKPZMPPIDDDJSP-AWEZNQCLSA-N 1 0 325.390 1.420 20 5 EDBDRO C[N@@H+]1C[C@@H]2CN(Cn3cc(Br)c([N+](=O)[O-])n3)C[C@]2(C)C1 ZINC000904438085 592260375 /nfs/dbraw/zinc/26/03/75/592260375.db2.gz XDEZDSFTFGAEHJ-SKDRFNHKSA-N 1 0 344.213 1.395 20 5 EDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000908055003 592277130 /nfs/dbraw/zinc/27/71/30/592277130.db2.gz RXOWOFSVZOTFTI-QGZVFWFLSA-N 1 0 335.404 1.443 20 5 EDBDRO CCN(c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000905674740 592608137 /nfs/dbraw/zinc/60/81/37/592608137.db2.gz YJNXMQJHLJDPKF-ZDUSSCGKSA-N 1 0 343.387 1.748 20 5 EDBDRO [NH3+][C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H]1C(F)(F)F ZINC000905710656 592619322 /nfs/dbraw/zinc/61/93/22/592619322.db2.gz OUEMMNUJZARCFG-HTQZYQBOSA-N 1 0 327.266 1.864 20 5 EDBDRO Cc1nn(C[N@@H+]2CC[C@H](C3OCCO3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000905694539 592624944 /nfs/dbraw/zinc/62/49/44/592624944.db2.gz BYODDHJLWFOSPY-LBPRGKRZSA-N 1 0 332.360 1.905 20 5 EDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC000906361732 592805112 /nfs/dbraw/zinc/80/51/12/592805112.db2.gz MBPPLYPMJZPEMV-LBPRGKRZSA-N 1 0 349.387 1.828 20 5 EDBDRO C[NH+](C)C1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC1 ZINC000906625015 592860307 /nfs/dbraw/zinc/86/03/07/592860307.db2.gz OUTMQXLRNKKBQV-UHFFFAOYSA-N 1 0 349.387 1.922 20 5 EDBDRO O=C(c1ccc2c(c1[N+](=O)[O-])OCCCO2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000906594112 592860682 /nfs/dbraw/zinc/86/06/82/592860682.db2.gz HJCHPXLYSKLQMM-LBPRGKRZSA-N 1 0 347.371 1.676 20 5 EDBDRO CC[N@@H+]1CC[C@@H](CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000731613056 592926331 /nfs/dbraw/zinc/92/63/31/592926331.db2.gz 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O=C1O[C@@H](CN2CCN(c3ncccc3[N+](=O)[O-])CC2)CC12CC2 ZINC000839032607 593255740 /nfs/dbraw/zinc/25/57/40/593255740.db2.gz QYAUHDOPVYQYOM-GFCCVEGCSA-N 1 0 332.360 1.208 20 5 EDBDRO C[NH+]1CCC(ONC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000816533976 593530521 /nfs/dbraw/zinc/53/05/21/593530521.db2.gz RLHJMKISCNEEKU-UHFFFAOYSA-N 1 0 345.359 1.536 20 5 EDBDRO [NH3+]CCN(Cc1ccc2c(c1)NC(=O)CO2)c1ccc([N+](=O)[O-])cc1 ZINC000816610605 593534727 /nfs/dbraw/zinc/53/47/27/593534727.db2.gz QYTGBXBOHRJAGH-UHFFFAOYSA-N 1 0 342.355 1.891 20 5 EDBDRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000816625599 593536385 /nfs/dbraw/zinc/53/63/85/593536385.db2.gz IYXCHGHTZHVAQJ-JTQLQIEISA-N 1 0 327.768 1.435 20 5 EDBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000817120801 593572637 /nfs/dbraw/zinc/57/26/37/593572637.db2.gz NUYRKCJYWSPMLZ-CYBMUJFWSA-N 1 0 348.403 1.749 20 5 EDBDRO O=C(NC[C@H]1C[NH2+]CCO1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000818007425 593656344 /nfs/dbraw/zinc/65/63/44/593656344.db2.gz ACSXEHFYDVHTGP-CQSZACIVSA-N 1 0 348.403 1.303 20 5 EDBDRO